smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc2cc(CN(CCc3ccc(OC)c(OC)c3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1 1327601 ZVCVVFTUFVEQHD-UHFFFAOYSA-N 501.583 4.508 0 40 KJAB COc1ccc2cc(CN(Cc3ccc(F)cc3)C(=O)c3cc(OC)c(OC)c(OC)c3)c(=O)[nH]c2c1 1366717 IXRBRJMTJHSMHU-UHFFFAOYSA-N 506.530 4.544 0 40 KJAB CCOc1ccc(-n2c(SCC(=O)Nc3ccc(Br)cc3)nc3c(c2=O)SCC3)cc1 2719930 UWTUZEUICDOLHT-UHFFFAOYSA-N 518.458 4.773 0 40 KJAB O=C1OC(c2cccs2)=N/C1=C\c1s/c(=N/S(=O)(=O)c2ccccc2)n(-c2ccccc2)c1Cl 3222857 HWFCKKKTXGGOAI-OFRPNPEMSA-N 528.036 4.888 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3ccc(C(C)C)cc3)[C@@H](C(=O)NC3CCCC3)c3ccncc3)n2)o1 6281275 QGXADWHCURZHOZ-HHHXNRCGSA-N 527.629 4.593 0 40 KJAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N(Cc3cccnc3)Cc3ccco3)cc2c1 6281694 NKRXIMZNORUYDE-NDEPHWFRSA-N 535.583 4.790 0 40 KJAB COC(=O)C1=NN(c2ccccc2)[C@]2(S1)S/C(=C/c1ccc3c(c1)OCO3)C(=O)N2c1ccccc1 8438146 ITOWIOGSECLGLB-MEVAHUFZSA-N 517.588 4.887 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(Cc2cccnc2)c2nc3ccc(C)cc3s2)cc1 8842280 BWLTYBQRULPLQW-QHCPKHFHSA-N 506.653 4.695 0 40 KJAB CCCCn1c(S[C@@H](CC)C(=O)Nc2ccccc2OC)nc2ccc(N3CCOCC3)cc2c1=O 9473763 RSDAPNVHLJICRT-DEOSSOPVSA-N 510.660 4.551 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2OC)Cc2ccccc2)cc1C 10301652 WUQLPASWHDPREA-UHFFFAOYSA-N 503.020 4.885 0 40 KJAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 12542026 WVSMTAVGZMAZDV-OAQYLSRUSA-N 522.941 4.588 0 40 KJAB CSCC[C@H](NC(=O)CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O 12661541 HDTPISZMYXBJDM-JCTQRPJNSA-N 519.704 4.533 0 40 KJAB biogenic CCOC(=O)/C=C/c1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 12790378 HTLNICWVGDWBHO-LICLKQGHSA-N 513.015 4.746 0 40 KJAB COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2)c1OC 13029914 FIDYQQNVPQWVHR-NDEPHWFRSA-N 527.625 4.590 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)CCC2 13032306 CFUJWQGGFFAGMY-NDEPHWFRSA-N 511.626 4.705 0 40 KJAB COc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccn4)=NN32)c(C(=O)O)c1OC 13550754 RJKCDESIORYZEC-WZONZLPQSA-N 510.344 4.802 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)c1 13670464 PVIDFPDJTDCRAZ-UHFFFAOYSA-N 510.656 4.736 0 40 KJAB C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=c3\sc4nc(-c5ccccc5)nn4c3=O)ccc2O1 16735321 SJEQVCRFAOUCAI-NAHYFOQLSA-N 503.587 4.542 0 40 KJAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1cc(-c2ccccn2)nc2ccccc12 17527568 LWSGGBWBLKIKAG-UHFFFAOYSA-N 557.676 4.560 0 40 KJAB COc1ccc(C)cc1NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 20235555 WPPHWOHBOLGBKT-UHFFFAOYSA-N 503.418 4.909 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 22231359 HTSWIAQPYRGZFW-UHFFFAOYSA-N 510.612 4.627 0 40 KJAB Cc1nccn1-c1ccccc1CNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 22428277 VGAQYJWOBALSAO-UHFFFAOYSA-N 502.640 4.816 0 40 KJAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 22821724 OMGUXHKUZLSEEP-UHFFFAOYSA-N 500.363 4.929 0 40 KJAB Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)cc4Cl)C3)CC2)c1C 26109826 GWCGSQGDLXZAJD-FQEVSTJZSA-N 524.514 4.501 0 40 KJAB COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 59853547 DVVXVOMFCZMQQQ-RUZDIDTESA-N 542.629 4.704 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 60016751 BKNUSSZONUZXPX-UHFFFAOYSA-N 528.030 4.618 0 40 KJAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1OC 96297848 BKVGQQYQSQAJSB-VBOOUTDYSA-N 510.546 4.917 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2CCc2ccc(F)cc2)cc1 97952070 PGWWHFDWXHVVAI-RUZDIDTESA-N 533.625 4.572 0 40 KJAB O[C@@H](CN1CCN(c2ccccn2)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 97994479 QPYKJYAPHZSNCB-IBGZPJMESA-N 544.291 4.898 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2ccc(OC)cc2)cc1 97995468 BYYJCLRALJJTBQ-XMMPIXPASA-N 535.597 4.542 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCc2sccc2C)cc1 98007040 ZGQOACBEKKSAJK-JOCHJYFZSA-N 539.654 4.946 0 40 KJAB COc1ccc(CCNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC 100235429 WIJNXDIJYMRVRR-UHFFFAOYSA-N 537.465 4.560 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)c1 103012687 BXAKGRFIQIUCGW-UHFFFAOYSA-N 566.101 4.741 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OC)c(=O)n2[C@H]1c1ccc(F)cc1 111469867 KTTAVFVMCWEKBD-VFHYMGCCSA-N 593.474 4.846 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)c(C)c1 113625771 XATWFEMXKRIMSH-UHFFFAOYSA-N 577.055 4.685 0 40 KJAB Cc1cc(C)c(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)c1C 150427258 KGHRBTKNURTGFV-NDEPHWFRSA-N 695.782 4.637 0 40 KJAB CC[C@@H](Sc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)NCc2ccc4c(c2)OCO4)cc1)OCO3)C(=O)NCc1ccco1 150444185 OQITUOUBOKPJTP-SSEXGKCCSA-N 654.701 4.612 0 40 KJAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl 150448739 UIVFYTLDDXVRPH-UHFFFAOYSA-N 690.027 4.557 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 222418953 FKMGQPDKOMPLTI-HHHXNRCGSA-N 581.735 4.540 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 222512577 LVHKUTPUBMJCGL-SANMLTNESA-N 602.153 4.885 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 222576538 QVGPMQSROUXMMN-HHHXNRCGSA-N 572.127 4.876 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 222628435 OBUUXNJZGLRMCT-HHHXNRCGSA-N 557.663 4.801 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 222874244 ARNRIRYOIIEPEJ-MHZLTWQESA-N 581.735 4.540 0 40 KJAB COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)Cc2ccc(Cl)cc2)cc1OC 222924818 QJRQFDJWHJFFFT-LJQANCHMSA-N 513.009 4.815 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1C 222957436 LICSUZMFHVTQDG-SFHVURJKSA-N 542.529 4.708 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 223018774 MDJCTHFQTJUBQP-VWLOTQADSA-N 565.736 4.923 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 223024470 KULYXORQOLSRMC-RUZDIDTESA-N 542.101 4.706 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223261693 QBKSUROQHANADH-GOSISDBHSA-N 555.311 4.620 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)cc1 223484804 WJWHLEJILXYRQN-XMMPIXPASA-N 513.407 4.743 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 223675491 ROMNLVDIYGXDCP-QHCPKHFHSA-N 542.529 4.792 0 40 KJAB Cc1ccc(CN(C(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1 223811486 ZUNQLASLYZOARW-QFIPXVFZSA-N 548.149 4.979 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O 223916337 UEQKZQZRMTVRKL-SFHVURJKSA-N 542.529 4.655 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 224061208 OXLZJZBSEOKJFJ-QFIPXVFZSA-N 569.699 4.670 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 224126350 YTUVWLHIMMCUIX-HHHXNRCGSA-N 600.579 4.690 0 40 KJAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 224313554 RIWAECIOBYKZQF-MHZLTWQESA-N 570.155 4.824 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 224452829 LGIBZCKLIAEJBL-HXUWFJFHSA-N 548.920 4.665 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)c1 224621346 PJCYXNCQLJOSNX-QFIPXVFZSA-N 572.127 4.794 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 224760007 FOHFGLGJBGEZKE-GOSISDBHSA-N 600.526 4.750 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224830580 HTHYFZUOGOOXCD-NDEPHWFRSA-N 570.155 4.888 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(N4CCCCC4)cc3)Oc3cc(C)ccc32)cc1 224968087 BEUJTVZLFIIQEN-MHZLTWQESA-N 505.640 4.889 0 40 KJAB COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(NC(=O)COc2ccccc2)cc1 225068727 FPICYJBXZIPTRF-IZLXSDGUSA-N 527.650 4.724 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 225103587 GGGBEBGQXOLZQA-DNQXCXABSA-N 553.700 4.970 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 225153267 JIWCKIJQSZFUOF-HSZRJFAPSA-N 551.684 4.887 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 225248983 MNRVFVQRUBMTMK-DEOSSOPVSA-N 522.111 4.528 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225499651 VYCIQJKBNPXELP-HHHXNRCGSA-N 604.144 4.810 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 225595631 IQVOTRMWOMXTCW-HTAPYJJXSA-N 572.953 4.591 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 225604837 KSKQHPVFEGSEQL-XMMPIXPASA-N 582.937 4.799 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225627326 WGQSHXBXWAQGRJ-XMMPIXPASA-N 582.044 4.511 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC)S(C)(=O)=O 225639903 DFWHEUIEYSTQAW-MHZLTWQESA-N 586.154 4.671 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1OC 225667236 DCWLOKZOUHEJRN-NRFANRHFSA-N 620.143 4.881 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 225703570 SDUBWTMQEOJTRZ-MHZLTWQESA-N 535.710 4.831 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 225755359 VXVDSIDGPKSAPZ-LJAQVGFWSA-N 607.773 4.682 0 40 KJAB COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccc4ccccc4c2O3)cc1Br 225825539 YIIRLAFGTIHBBE-UHFFFAOYSA-N 516.413 4.800 0 40 KJAB O=C(NCc1ccccc1)[C@@H]1CN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 226003339 MWKIWOKXLNDENA-PMERELPUSA-N 604.128 4.684 0 40 KJAB CCc1ccc2nc(O)c(CN(Cc3ccccc3OC)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 253500538 VMWIOGCCSWVAOT-AOYPEHQESA-N 516.646 4.830 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)c2ccc(C)cc2C)cc1 260744216 NZLFAAOAEDPQEF-AREMUKBSSA-N 549.737 4.792 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1Cl 260896344 MUPXOPORWRAQTG-JOCHJYFZSA-N 572.127 4.733 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 260913986 GCMGJYKIOSZYFC-RDPSFJRHSA-N 536.138 4.952 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 260934015 XMWUGERIUQMYJB-RUZDIDTESA-N 549.737 4.942 0 40 KJAB Cc1cccc(N2CCN(C(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)CC2)c1C 408617127 HTUPPXCMMZBAHR-UHFFFAOYSA-N 531.600 4.866 0 40 KJAB CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1 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0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 223389768 KSWCSXCCMVHEKH-QDPGVEIFSA-N 570.155 4.969 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 223392848 MRLDIAQIQQGIGR-MRXNPFEDSA-N 548.920 4.746 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 223515211 GSNCANZDPGYBBD-MHZLTWQESA-N 600.579 4.608 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 223519795 REPLHCUPBGWQMY-VWLOTQADSA-N 651.421 4.754 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(OC)cc1 223583684 UXNVBIJGVFJMRY-VWLOTQADSA-N 509.444 4.776 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 223633861 HLQVFNQTPWYGPT-NDEPHWFRSA-N 565.736 4.921 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223634851 JCNZEFQOGMFRIG-MUUNZHRXSA-N 595.762 4.931 0 40 KJAB 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575.643 4.959 0 40 KJAB Cc1ccc(Cl)c(OC[C@]2(O)CCCN(Cc3ccc(OCCCn4cc(C)ccc4=O)cc3)C2)c1 585278766 AAWIKDMRZKSDOB-LJAQVGFWSA-N 511.062 4.994 0 40 KJAB CCOc1ccc(C(=O)N2CCN(c3ncccn3)CCCN(C(C)=O)c3ccccc3C2)cc1N1CCCCC1 643554196 CJZILXMRTPRCQF-UHFFFAOYSA-N 556.711 4.771 0 40 KJAB COc1cc(OC)c(S(=O)(=O)N2CCCCN(C)C(=O)c3ccccc3OC[C@@H]2Cc2ccccc2)cc1Cl 643562124 FRVYIXBTBCNMDO-QFIPXVFZSA-N 573.111 4.904 0 40 KJAB COc1ccc(CCC(=O)N2Cc3ccccc3N(C(C)=O)CC[C@H]3CC[C@@H](C2)N3Cc2ccncc2)cc1OC 643577716 XCOBKHNADUWIML-WDYNHAJCSA-N 556.707 4.850 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3cc(C(C)C)c(OC)cc3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 1530231479 UEFQKYOWBLQSJG-GDLZYMKVSA-N 577.747 4.561 0 40 KJAB Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCN(C(=O)c5ccccc5)CC4)c(Cl)c3n2)cc1 848628 FFDUFXAFKBIUKS-UHFFFAOYSA-N 527.934 4.975 0 40 KJAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3c4ccc(F)cc4CC[C@H]3C)cc2c1 893086 BJVBZTWKINDRPC-CLYVBNDRSA-N 510.573 4.641 0 40 KJAB 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RSDVRUZMBYCWDE-KRWDZBQOSA-N 510.182 4.631 0 40 KJAB COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C(=S)N[C@@H](C)c2ccccc2)cc1 891376 NUPRUDWBARYNGE-IBGZPJMESA-N 515.635 4.946 0 40 KJAB CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c2n(c1-c1ccc(Cl)c(Cl)c1)CCS2(=O)=O 1591130 SJVJJUXYKFIYPD-UHFFFAOYSA-N 532.446 4.518 0 40 KJAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4cc(C)ccc4C)CC3)cc2c1 6133905 PXBZSACQCVQDLQ-LJAQVGFWSA-N 541.700 4.947 0 40 KJAB Cc1cc(C)cc(N(C(=O)CNS(=O)(=O)c2ccccc2)[C@@H](C(=O)NCc2ccccc2)c2ccc(C)o2)c1 8685856 MADIWUYLAWMBDO-GDLZYMKVSA-N 545.661 4.574 0 40 KJAB CC1(C)C[C@@H]2C[C@@](C)(CN2S(=O)(=O)c2cccc(C(=O)OCC(=O)NC34CC5CC(CC(C5)C3)C4)c2)C1 12563724 VTBWAIICRBJWCD-XELCZGGTSA-N 528.715 4.518 0 40 KJAB O=C(CCCC(=O)N(c1ccc(F)cc1)[C@@H](C(=O)NC1CCCC1)c1ccc(O)cc1)Nc1ccccn1 13027760 YWUWTYKRMUMUEE-MUUNZHRXSA-N 518.589 4.868 0 40 KJAB CCOc1ccccc1CCCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 13675406 BPFBHVJLYHHMMH-UHFFFAOYSA-N 501.048 4.991 0 40 KJAB CC(C)NC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 15945966 RETNHKMYJQDCBS-UHFFFAOYSA-N 520.438 4.966 0 40 KJAB COc1ccc(C2C(C(=O)NCc3ccccc3)=C(C)NC(C)=C2C(=O)NCc2ccccc2)cc1OC 31772128 GWCAUFOEVNYAGY-UHFFFAOYSA-N 511.622 4.571 0 40 KJAB CCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3ccc(F)cc3F)nc3ccccc3c2=O)cc1 33058572 MTYQBHYNBUWSOB-UHFFFAOYSA-N 522.577 4.594 0 40 KJAB O=C(Nc1ccc(I)cc1Cl)c1cc(-n2cnnc2)ccc1Br 35684146 QHWRUCUDFNJOCL-UHFFFAOYSA-N 503.525 4.540 0 40 KJAB Cc1ccc(N(CC(=O)NCc2ccc(CN3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1C 44873496 UJGVLPVWGZJQAW-UHFFFAOYSA-N 505.684 4.801 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=N1 58872143 SCZBRGKPXIVJFS-FCYPAOMHSA-N 504.652 4.711 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3Cl)c(=O)n2[C@@H]1c1ccc(Cl)cc1 59433687 UGMDBTJDDSXRJV-FVECTHPASA-N 507.826 4.759 0 40 KJAB COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CCC3)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 96114637 PTHYNMZBIILQPW-FQEVSTJZSA-N 523.541 4.827 0 40 KJAB biogenic CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OCC)cc3)N(Cc3ccccc3F)C2=S)cc1 98005966 NHWMEFFENYBCIR-VWLOTQADSA-N 549.624 4.932 0 40 KJAB COc1ccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2cccc(OC)c2)S3(=O)=O)cc1 100032987 JVKGKGURKXELJP-UHFFFAOYSA-N 548.646 4.601 0 40 KJAB Cc1sc(-c2ccco2)nc1C(=O)O[C@@H](C)CN1CCN(C(=O)c2nc(-c3ccco3)sc2C)CC1 101177678 HWWJSYNPAMVNTI-HNNXBMFYSA-N 526.640 4.740 0 40 KJAB CCc1cc(Br)ccc1N1C(=O)[C@@H]2[C@@H](N=NN2CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccccc2)C1=O 101999850 CEBOYJYQBRCLBF-OIKPOIBNSA-N 585.462 4.683 0 40 KJAB COCCn1c(SCC(=O)c2ccc(Cl)cc2)nc2cc(C(=O)NCc3ccc(F)cc3)ccc2c1=O 102176376 GEPPPDQQCFFTCE-UHFFFAOYSA-N 540.016 4.740 0 40 KJAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]([C@H]1CC=CCC1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 103590288 PACWXONONFVQNP-ZOYWYXQUSA-N 582.680 4.799 0 40 KJAB CCC(=O)N1CCN(c2ccc(NC(=O)c3cc(I)ccc3Cl)cc2Cl)CC1 105321705 PGNKQLFUKBTPAU-UHFFFAOYSA-N 532.209 4.909 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 105978365 HHFIGYRNXQICNC-ZGOFBEGVSA-N 561.059 4.649 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)OC)C2=O)cc(Br)c1OCc1ccc(F)cc1 106744759 ODZXAMUDFWELME-ZDLGFXPLSA-N 524.364 4.775 0 40 KJAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)cc1C 108290069 QRGCISHDLMCNRS-GOSISDBHSA-N 536.075 4.551 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)c(C)c1 216358803 GXCVZSVJIRYZPW-UHFFFAOYSA-N 513.443 4.659 0 40 KJAB CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 216365632 RGSAADDRXXBCCV-GOSISDBHSA-N 533.046 4.829 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 222642282 XHJOBTBHXRCWDL-LJQANCHMSA-N 578.518 4.669 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 222777205 YRVLGDDVFDCGSF-LJAQVGFWSA-N 585.717 4.923 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 223064404 LTIVICQEAVRFLN-GOSISDBHSA-N 562.054 4.767 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2nnc(SC(C)C)s2)S(=O)(=O)c2ccc(C)cc2)cc1 223069464 OYDCZKPPVGTQGP-UHFFFAOYSA-N 506.675 4.580 0 40 KJAB COc1ccc(CCNC(=O)[C@H](c2ccccc2)N(Cc2ccc(F)cc2)C(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 223443028 SJMFUOCZLUJEKI-XIFFEERXSA-N 617.743 4.725 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 223537806 LXVWNGMUUKWQLZ-IBGZPJMESA-N 548.492 4.742 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223610774 XAGHLRQHZCBDSD-LJAQVGFWSA-N 595.762 4.762 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 223730039 MKHGOIQVSRQKHH-UFHPHHKVSA-N 567.727 4.763 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 223823588 PLVCQIBWXZNFQE-GOSISDBHSA-N 566.482 4.881 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 223848401 DTJJORKEZOUXIG-FQEVSTJZSA-N 590.515 4.727 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223901554 KSESYEIUBGMEQA-GOSISDBHSA-N 624.518 4.652 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 224069715 AUQDVQOZWPDQOJ-HXUWFJFHSA-N 651.542 4.958 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 224083383 MXMSGHHOMMKRGJ-NDEPHWFRSA-N 570.155 4.889 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224103228 HSLXEJYRVRSRDD-AREMUKBSSA-N 542.101 4.787 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 224383732 LVPQQZIOVWVTDN-SANMLTNESA-N 539.673 4.611 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224409604 MPOLKLUMYDZVLV-NDEPHWFRSA-N 672.642 4.933 0 40 KJAB Cc1cccc(C)c1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 224437354 YJSVXHHZAXNUHV-MHZLTWQESA-N 567.727 4.763 0 40 KJAB CCc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)cc1 224491434 LYFPHPGIRXXMRK-SANMLTNESA-N 563.764 4.985 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224571857 FKNLSHGMUGMMPW-MUUNZHRXSA-N 581.710 4.896 0 40 KJAB COc1ccc(OCCNC(=O)c2ccc(CN(c3cc(Cl)cc(Cl)c3)S(C)(=O)=O)cc2)cc1 224737794 XUJHZRJOHODCOF-UHFFFAOYSA-N 523.438 4.777 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)[C@@H](Cc1ccccc1)C(=O)NC(C)C 224783904 YJOWFMFDSIDFSL-LJAQVGFWSA-N 567.727 4.845 0 40 KJAB O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NCc1cccc(C(F)(F)F)c1 224809110 OTQXCAOGWCWXGI-UHFFFAOYSA-N 527.362 4.980 0 40 KJAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)cc1OC 224868641 JLQQWEIRUZVSDN-UHFFFAOYSA-N 510.490 4.680 0 40 KJAB COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 224956960 MOVKSKAZHQRCFJ-GDLZYMKVSA-N 534.628 4.921 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 225186114 HZYKILVMVBCJCH-FGZHOGPDSA-N 572.127 4.876 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 225220666 KRMXXZZPKFWDQV-FQEVSTJZSA-N 580.589 4.846 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(OC)cc2)ccc1OC 225303166 IOYXXRQWMWFMJI-IZLXSDGUSA-N 543.649 4.652 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 225384665 XZBOFBQHUIFMOW-DNQXCXABSA-N 551.709 4.531 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 225407262 XMCPLMGXTZAQMY-NDEPHWFRSA-N 602.153 4.886 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 225425455 RXSGYLQMCSDBJX-NDEPHWFRSA-N 570.155 4.825 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 225466855 ZYGDJMRHHNGYQR-QFIPXVFZSA-N 542.101 4.786 0 40 KJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)cc1NS(C)(=O)=O 225486527 STKUFBNAQRTNNO-RPBOFIJWSA-N 537.642 4.569 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225519601 PSSSOSARXSJJDD-SANMLTNESA-N 575.653 4.638 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)c2cccc(Cl)c2)cc1 225525985 VWQMVGPPDSBGKV-QFIPXVFZSA-N 572.127 4.794 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 225701377 DSXAJFQRPQQLGI-HHHXNRCGSA-N 535.710 4.831 0 40 KJAB CCOC(=O)Cc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 226033450 TYOFCWNTEPCAKD-UHFFFAOYSA-N 508.640 4.547 0 40 KJAB CCCn1c(SCC(=O)N2N=C3/C(=C\c4ccc(OC)cc4)CCC[C@@H]3[C@H]2c2ccc(OC)cc2)n[nH]c1=O 254486326 TZCDPJMXJYOUEA-DYRSULLYSA-N 547.681 4.914 0 40 KJAB Cc1ccccc1S(=O)(=O)N1CCC[C@](COc2ccccc2)(CC(=O)N(C)Cc2ccccc2)C1 257211624 BZOVBPKOWAUCDN-LJAQVGFWSA-N 506.668 4.894 0 40 KJAB CCCCOc1ccc(NC(=O)CN2CCC3(CC2)CN(S(=O)(=O)Cc2ccccc2)C(C)(C)C3)cc1 257279159 OFFZGDWPCDPSKO-UHFFFAOYSA-N 527.731 4.901 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 260745337 BQNJGVCZBKGNKW-GOSISDBHSA-N 540.513 4.544 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC)c2ccccc2)cc1 260758818 MTHBTVVUYOXDJV-JGCGQSQUSA-N 599.753 4.975 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccccc2)cc1 260952207 JZAKCPNLCNHDQI-BJKOFHAPSA-N 565.736 4.785 0 40 KJAB COc1ccccc1N(CCCC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 260962357 YFVRDGCQAAXKLX-SSEXGKCCSA-N 593.790 4.962 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 260983290 BJKXTFLMYUSDDC-SFTDATJTSA-N 522.111 4.527 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 260995751 QTZZKLBNOLMPFB-UWJYYQICSA-N 572.953 4.591 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 261070333 PQNMAYQYJQODKG-ZBLYBZFDSA-N 574.118 4.800 0 40 KJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2Cl)c(C)c1 408546623 GCOSPBVEUGYLDX-UHFFFAOYSA-N 548.086 4.794 0 40 KJAB COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)c1 408639062 FAHGRAUEHHJGIW-KYNGSXCRSA-N 503.382 4.663 0 40 KJAB COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3CC=C(C)C[C@H]3C2=O)c1 408640510 IFTDLSPQKDNMDD-RTBURBONSA-N 501.366 4.583 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)CCCC1=O)c1ccc(OC(=O)c2ccco2)cc1 408643028 OLEXTMICQXCYEW-UHFFFAOYSA-N 529.332 4.585 0 40 KJAB O=C(Oc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408656097 HHEUOZFEPCUKFA-HYYIVIJVSA-N 537.399 4.509 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4cccc(C(=O)OC)c4)o3)c2=O)=N1 408867502 LDFXOMLTLJYHLT-LAUBZIAYSA-N 616.692 4.642 0 40 KJAB CCc1nnc(NC(=O)CSC2=NC(C)=C(C(=O)Nc3ccccc3)[C@H](c3ccc(C)c(OC)c3)N2)s1 408985369 AROUMHIVSWQQOH-QHCPKHFHSA-N 536.683 4.702 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc(-c4ccc(C(=O)OC)cc4C)o3)c2=O)=N1 409109757 KSHQOIVIUYNPSL-KEPJHFNWSA-N 614.676 4.662 0 40 KJAB CCOc1c(I)cc(I)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(OC)cc2)C1=O 409152226 JTJNOWCXJJVWDP-RQZCQDPDSA-N 664.259 4.978 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(s/c(=C/c3cn(CC(=O)N4CCCC4)c4ccccc34)c2=O)=N1 409171462 BRYKPBJJKVTXSD-ZNRKBWGRSA-N 607.761 4.513 0 40 KJAB O=C(c1ccc(Cn2ccnc2)o1)N1CCC2(CCCCOC[C@@H]3CCCN3C(=O)c3cccc(c3)OC2)CC1 643562839 RVYDXYQOWJSMLI-VWLOTQADSA-N 546.668 4.631 0 40 KJAB COc1cccc(CN2CCOCCOc3ccccc3Oc3ccc(Cl)cc3NC(=O)C2)c1OC 643566634 UUZAUZBAAJSOSB-UHFFFAOYSA-N 512.990 4.999 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CN2CCOCCOc3ccc(-c4cncnc4)cc3Cc3cccc(c3)C2)c1 2037885126 DVUPYBJNZMQXDN-UHFFFAOYSA-N 566.658 4.761 0 40 KJAB CCOC(=O)c1c(C)nc2sc3c(=O)n(-c4ccc(C(C)=O)cc4)nnc3c2c1-c1ccc(OC)cc1 643014 FNKVRFNOLQLSKE-UHFFFAOYSA-N 514.563 4.754 0 40 KJAB CCC[C@H](c1nnnn1CCc1ccccc1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1335591 GHFSRYZPGNPQNF-HHHXNRCGSA-N 594.672 4.801 0 40 KJAB COc1ccc(Cn2nnnc2[C@@H](C(C)C)N(Cc2cccnc2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 1336843 MGSOJPZFMJRLCO-GDLZYMKVSA-N 537.668 4.983 0 40 KJAB O=C(NC1CC1)[C@@H](c1ccc(F)cc1)N(C(=O)Cn1nnc(-c2cccs2)n1)c1cccc(C(F)(F)F)c1 1337549 TYZQSPCOYNCCHE-JOCHJYFZSA-N 544.534 4.613 0 40 KJAB Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C(=O)c2ccccc2)c1 1507979 XGPCMDQILYPWCB-UHFFFAOYSA-N 583.666 4.752 0 40 KJAB Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)O)c(C)c3cc2c1-c1ccccc1 2117168 RDWIBPWYCBFUIO-DEOSSOPVSA-N 511.530 4.883 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@H]1c1ccccc1OC 2355015 SYWWWGJCECIWMC-GJFKPFFXSA-N 535.021 4.720 0 40 KJAB COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@@H]2C1=O 2405464 YOQWWPKGYIQFCM-IARZGTGTSA-N 520.541 4.966 0 40 KJAB Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)c(C)n1Cc1ccc2c(c1)OCO2 2639938 YGPZANAFQSOHNB-UHFFFAOYSA-N 560.628 4.747 0 40 KJAB CN(Cc1ccccc1)C(=O)C[C@@H]1c2nc(NC(=O)C(C)(C)C)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO 4222352 ONSCVPIFZULKHO-ZEHZBVEQSA-N 527.731 4.592 0 40 KJAB biogenic,in-vitro CC(C)=C(/C(=C/CS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 4422512 DUVJHCLJGICMSZ-BWAHOGKJSA-N 530.689 4.894 0 40 KJAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N(Cc3ccco3)Cc3ccccc3Cl)cc2c1 6196812 YJCZVCPPWUKXSE-SANMLTNESA-N 549.031 4.598 0 40 KJAB CCOCCCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 6600022 WYNJSAPIIRKRNQ-FQEVSTJZSA-N 529.124 4.521 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@@H](C(=O)NC(C)(C)C)c3cccs3)n2)o1 12716388 FMCLUQAIJLCFPF-JOCHJYFZSA-N 527.050 4.641 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F 13024623 QSSYPZRFMQYHMJ-SANMLTNESA-N 503.578 4.658 0 40 KJAB CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCc1ccc(Cl)cc1 13577171 CULPIPBAMDVJJT-RUOYCICXSA-N 500.064 4.536 0 40 KJAB CCN(c1ccc2sc(C(=O)NCCCOC)cc2c1)S(=O)(=O)c1ccc(Br)cc1 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O=C(COc1ccccc1)NCc1nnc(SCC(=O)Nc2nc3ccccc3s2)n1-c1cccc(Cl)c1 97961615 KTEDRSTUEOIWNE-UHFFFAOYSA-N 565.080 4.956 0 40 KJAB CCOc1ccc([C@@H](C(=O)NCc2ccccc2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1 100362945 MOXQQAHUNHJELT-LJAQVGFWSA-N 539.661 4.978 0 40 KJAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(c6cccc(C(F)(F)F)c6)C(=O)[C@H]45)[C@@H]32)ccc1O 100843585 WCTKTYHWENFIRK-FOWKPUQNSA-N 574.602 4.847 0 40 KJAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)N3N=C(c4cccc5ccccc45)C[C@@H]3c3ccccc3)C2=O)cc1 102831088 YXRWXGLNQSUYFB-NNFJYWIMSA-N 542.599 4.819 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(Br)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 105498401 CJNSCOOEWZKBPC-JCAJYURWSA-N 531.859 4.523 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(C)cc1)c1cccc(C(F)(F)F)c1 107930047 YUHLUKUOGORSDP-UHFFFAOYSA-N 506.546 4.843 0 40 KJAB CC(C)[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]12 108523118 YWZHRYBPRQRKJJ-UUZIFAJNSA-N 526.596 4.530 0 40 KJAB 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4.669 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(Cl)cc1 223661802 SXPODUOVZSGDHO-JOCHJYFZSA-N 572.127 4.796 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223810252 ADGWTPDMRWCRKZ-NDEPHWFRSA-N 569.699 4.753 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224012935 DKPWCEWUYJNCKE-NDEPHWFRSA-N 671.813 4.649 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 224191322 OSCRBACWHOPSKT-HHHXNRCGSA-N 527.731 4.716 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 224247011 QHILJTZYAPNQGU-QFIPXVFZSA-N 542.101 4.725 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 224277341 MFMDLMFOWRUQRI-MHZLTWQESA-N 546.067 4.883 0 40 KJAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 224580800 SBXCTBNESPSBSB-MOSHPQCFSA-N 539.411 4.657 0 40 KJAB 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CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OCC(C)C)cc3)cc2Cl)CC1 8897112 UUNNFMVFBAGPES-UHFFFAOYSA-N 503.068 4.560 0 40 KJAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1OCc1ccccc1Cl 12623194 ZWEUCTREIDNLNR-UHFFFAOYSA-N 521.422 4.846 0 40 KJAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2N=C(/C=C/c3ccco3)C[C@@H]2c2ccco2)C1=O 14197146 QYBBDTHHGWTTDM-CHXBUHIZSA-N 508.534 4.836 0 40 KJAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)OC(=O)C2(c3cccc(F)c3)CCCC2)ccc1C 14357436 JFVCGHPGNJWENQ-IBGZPJMESA-N 504.624 4.547 0 40 KJAB C[C@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(Br)cc1 20010929 LSYNLAHWRDFTSO-KRWDZBQOSA-N 505.409 4.657 0 40 KJAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)c1ccc(Br)cc1 20022839 VUNZTXAORHJUAW-OAHLLOKOSA-N 515.857 4.533 0 40 KJAB C[C@H](NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1cccc(Br)c1 22231442 MEAXBBDWNXQZRM-SFHVURJKSA-N 517.445 4.672 0 40 KJAB Cc1nc2sc([C@H](c3ccc(Br)cc3)N3CCN(c4ccccc4F)CC3)c(O)n2n1 23157057 WWOZZZGQYRZIPN-IBGZPJMESA-N 502.413 4.618 0 40 KJAB 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KJBCHFLPEHCMAQ-UHFFFAOYSA-N 645.557 4.796 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 222647600 VXDHGMUKXNKFTA-IBGZPJMESA-N 608.544 4.678 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 222671881 UTMBYDRXWWPPMP-JOCHJYFZSA-N 542.529 4.708 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)cc1 222684334 KYNHGCDHPNDMJR-NDEPHWFRSA-N 570.155 4.827 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 222989527 HHDFNBYTIBBGNY-JOCHJYFZSA-N 586.552 4.815 0 40 KJAB CC(C)CSc1nnc(NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)s1 222992539 SNPSWXJKUBHMOZ-MRXNPFEDSA-N 506.675 4.872 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 223109926 FGVKGFRWXZVEEE-GOTSBHOMSA-N 629.751 4.769 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223198734 VCMOMFGQRRTFCG-JOCHJYFZSA-N 602.153 4.886 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223201969 MLJGGRCOXZUVHC-SANMLTNESA-N 576.546 4.844 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 223365599 IRKOGBQIHPSCQS-QGZVFWFLSA-N 518.441 4.703 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 223481248 UDHWHKGULAKCMV-DEOSSOPVSA-N 611.761 4.550 0 40 KJAB COc1ccc(C)cc1N(CC(=O)NCCOc1cccc2ccccc12)S(=O)(=O)c1ccc(C)cc1 223516869 OHURWWYXOHNWNV-UHFFFAOYSA-N 518.635 4.856 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 223838052 QPSNZVIOXRUPLF-JOCHJYFZSA-N 564.482 4.761 0 40 KJAB Cc1ccc(OCCNC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1Cl 224134831 HFPVQSWLRLWNNS-IBGZPJMESA-N 503.020 4.790 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 224215537 MLJZNWWNDQBDBE-DEOSSOPVSA-N 534.122 4.589 0 40 KJAB 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CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 225709406 SPXAYSAQWRQYPM-AREMUKBSSA-N 542.101 4.867 0 40 KJAB O=c1sc2cc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2n1Cc1ccccc1 225748218 FZIVDQVVIZOIAS-UHFFFAOYSA-N 533.597 4.641 0 40 KJAB COc1cccc(OC)c1CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 226013743 NJLPCFRNFNRSKD-UHFFFAOYSA-N 523.438 4.518 0 40 KJAB CCOC(=O)Cc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 226017339 DTTWGLXPWPZIIW-UHFFFAOYSA-N 535.449 4.929 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 260765685 RDUNOPNGUAJFOB-JGCGQSQUSA-N 659.805 4.992 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c2cccc(Br)c2)cc1 260840602 WSYVGOIBPFSXKW-GOSISDBHSA-N 545.455 4.601 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)c2ccccc2OC)cc1 260864266 ABJKGKMFZKXPFZ-HSZRJFAPSA-N 581.735 4.540 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260919523 LXCQMGAGXPEFNC-SSEXGKCCSA-N 561.748 4.850 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1 260939862 ZUHMMDBHZAKTLC-XMMPIXPASA-N 553.700 4.561 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)cc1 260941572 PAPJGQYELPIWBT-MUUNZHRXSA-N 614.606 4.936 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 261043018 KUIJPJJCTPGQGH-NGQVCNFZSA-N 597.753 4.935 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(C)c3C)CC2)c2ccc(Cl)cc2)cc1 408617759 JGOOVUVLNXYTJS-UHFFFAOYSA-N 512.075 4.809 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)c2ccccc2F)cc1 408621276 OYDBZXXOUMUSIQ-UHFFFAOYSA-N 523.630 4.984 0 40 KJAB CCc1ccc(N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 408624287 SCNBEBHKYDBIBX-DHZHZOJOSA-N 547.721 4.619 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 408629396 AKDYPPKVQDMRJN-UHFFFAOYSA-N 565.692 4.862 0 40 KJAB 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(O)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409039620 ROTOJCMBDOIYCC-YOURIZNBSA-N 621.937 4.716 0 40 KJAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1 409060655 SHNCSHWDRVSYGT-UCQKPKSFSA-N 567.019 4.773 0 40 KJAB CC(C)CNC(=O)c1ccccc1NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 409112695 GATCLKJDSFZVCK-UHFFFAOYSA-N 544.471 4.669 0 40 KJAB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)NCc4ccco4)c4ccccc34)N(C)C2=S)cc1 409139340 NBBLYQWYPWZAIC-MYYYXRDXSA-N 514.607 4.554 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OC(F)F)c(=O)n2[C@@H]1c1ccccc1 409157746 QFUYELGQMQJHIR-CUPKDKKMSA-N 532.568 4.537 0 40 KJAB CCCOC(=O)c1cccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc(C)c3)C(C)C)n2C)c1 409166452 DOTABQNJJLHXGQ-HSZRJFAPSA-N 523.659 4.548 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(I)c1OCc1ccccc1Cl 409174749 UOLIIXGARUYVPR-LICLKQGHSA-N 526.758 4.835 0 40 KJAB CN(Cc1ccccc1)C(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1 409196456 VYRZHLFCPNDZPK-UHFFFAOYSA-N 521.864 4.952 0 40 KJAB CCCOC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(Cl)cc3)n2CC)c1 409359171 WJTYFXYJQITDBM-MRXNPFEDSA-N 530.050 4.740 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc(OC)c3OCc3ccc(Br)cc3)C2=O)o1 409399616 KVKSJHJMEPPSCJ-UNOMPAQXSA-N 541.354 4.509 0 40 KJAB CN1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)CCCN(C(=O)c3c(Cl)cccc3Cl)C2)CC1 585268747 BZJLRIVVCNATQZ-SANMLTNESA-N 522.448 4.598 0 40 KJAB Cc1nc(N2CCC(C)CC2)ncc1C(=O)N1CCC2(CCCCCc3ccccc3OCCN(C)C2=O)CC1 643562889 UITDKUYGUYDABS-UHFFFAOYSA-N 547.744 4.898 0 40 KJAB CC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)CC[C@H]3CCCO3)Cc3ccccc31)N2Cc1nccs1 643578207 QSJPWXCCNRVIRW-DSNGMDLFSA-N 510.704 4.611 0 40 KJAB CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCO[P@](=O)(O)OC[C@@H](O)CO 936069287 PAGKVQGBMADPCS-CNCZWKADSA-N 501.601 4.735 0 40 KJAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)N(c1ccccc1)S(C)(=O)=O 1098529 UFLZJTVOSCFADZ-HNNXBMFYSA-N 542.466 4.587 0 40 KJAB COc1ccc(NC(=O)[C@H](c2ccc(OC)cc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 1419064 LKAVYIOKFPZOHA-PMERELPUSA-N 535.604 4.857 0 40 KJAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 2635095 PVLRBRVQUGLNST-OALUTQOASA-N 538.622 4.956 0 40 KJAB CC[C@@H](Sc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccc2c(c1)OCO2)C(=O)Nc1cccc(OC)c1 2976278 OFNXTJWSVDBMAY-MUUNZHRXSA-N 588.686 4.528 0 40 KJAB CCCCCC(=O)Nc1nc2c(s1)C[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)NCc1ccccc1 4237026 MBSCHBLMRZEKNX-RUMONJKUSA-N 527.731 4.784 0 40 KJAB biogenic,in-vitro Cc1cccc(-n2c(=O)c3c(c4cc(C)ccc4n3C)n(CC(=O)Nc3ccccc3C(F)(F)F)c2=O)c1 8592069 KOOZFASIXVERLM-UHFFFAOYSA-N 520.511 4.918 0 40 KJAB COc1cc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2cccc(OC)c2OC)ccc1-n1cnnn1 8686443 XSOCZBAJYYCDFW-MUUNZHRXSA-N 590.706 4.516 0 40 KJAB CC1(C)Cc2c(sc3nc(N4CCN(CCc5ccccc5)CC4)n(-c4ccccc4)c(=O)c23)CO1 9575697 JTVTVYPOHDPMMR-UHFFFAOYSA-N 500.668 4.663 0 40 KJAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 12484453 HUGBIFVOCGDIRW-XMMPIXPASA-N 517.626 4.821 0 40 KJAB CCOC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)cc1 13026384 CSSFLTXJIMCZGR-SANMLTNESA-N 520.582 4.920 0 40 KJAB COc1ccccc1-c1nnc(SCC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)o1 13096932 HTQQOTDRDPYGHT-UHFFFAOYSA-N 514.913 4.607 0 40 KJAB O=C(Nc1ccc(Br)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 13677080 BJEFJURUHFDDRK-UHFFFAOYSA-N 506.249 4.936 0 40 KJAB O=C(NCCSCc1c(F)cccc1Cl)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13688502 CURNWFQCGNWGDS-UHFFFAOYSA-N 505.464 4.583 0 40 KJAB COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 20020914 BSSQOQZJTTTZJQ-INIZCTEOSA-N 508.518 4.771 0 40 KJAB CS(=O)(=O)N(CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccc2ccccc12 20028448 ZNKDKTHESQQXTH-UHFFFAOYSA-N 513.663 4.540 0 40 KJAB COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1 22428910 VVPBUHJWGNRVFR-RUZDIDTESA-N 526.655 4.811 0 40 KJAB COc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)Oc5ccccc54)cc3)no2)cc1 46086839 XTTGGPMTVZXHNW-QGZVFWFLSA-N 505.552 4.579 0 40 KJAB CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)S(C)(=O)=O)cc1 59883723 WPLHLINMJISXKX-SFHVURJKSA-N 566.101 4.641 0 40 KJAB Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NC[C@@H]5CCCO5)cc4)C(=O)N32)cc1 70701024 JHOZNIPWXXSRIM-MYELJEHHSA-N 534.616 4.868 0 40 KJAB biogenic COc1cc(/C=C/C(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)ccc1OS(=O)(=O)c1cc(C)ccc1C 97980383 UJNVBWGEKBEEGB-ACCUITESSA-N 626.797 4.860 0 40 KJAB O=C(NC(=S)Nc1c(Br)cc(Br)cc1C(=O)O)c1ccc(I)cc1 100007610 UUIZVDKTJPHIEX-UHFFFAOYSA-N 584.027 4.641 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 100263294 GMQYYJVHKORXFR-WALVNQSHSA-N 531.033 4.598 0 40 KJAB CCOc1ccccc1[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1OC)C(=O)Cn1nnc2ccccc21 100365482 BUSUFDWSPMWHFH-SSEXGKCCSA-N 541.652 4.668 0 40 KJAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1)c1ccc(OCc2ccccc2)cc1 102076004 HFALMJXTOYRLED-INMIWOHISA-N 533.580 4.863 0 40 KJAB O=C(Oc1ccc(OCc2ccccc2)cc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102077355 ZBYFVANBDHDMNC-PDSKJDIPSA-N 519.597 4.835 0 40 KJAB O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 103064690 TVBBGDUDJHQXET-UHFFFAOYSA-N 551.669 4.979 0 40 KJAB CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)c1ccc(Br)cc1 106076081 DCCCBBGVBOPXMP-UHFFFAOYSA-N 538.265 4.728 0 40 KJAB C[C@@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2ccc(Br)c(Cl)c2)n1C 110002034 NQBXKMSSXFWNFK-LLVKDONJSA-N 526.819 4.592 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c(Br)c3)c(=O)n2[C@H]1c1ccccc1 111465634 LGGLNAHBSKGYII-FGSNJIQSSA-N 575.484 4.707 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 150389748 VIJWRPYEHMVXEY-GVMLUORFSA-N 637.508 4.616 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCc1ccc2c(c1)OCCO2 222638527 BQUMWPLGYWAWHI-DEOSSOPVSA-N 537.454 4.539 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 222663487 SRPWWQKEHNBTIX-RUZDIDTESA-N 606.970 4.563 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 222665302 VXJPORNBVZUKDF-INIZCTEOSA-N 548.920 4.665 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 223099959 PGXSLZAWPGVUMH-RUZDIDTESA-N 565.736 4.923 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 223215717 DMMAWMQNKMJIAY-AREMUKBSSA-N 557.713 4.605 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 223394842 BLYYIGWYICLHFK-MRXNPFEDSA-N 578.946 4.755 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(I)cc1 223447408 IYBDQLNYVMTXEN-DEOSSOPVSA-N 560.407 4.585 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 223613543 VWTQAFMGVFZJBQ-QHCPKHFHSA-N 553.750 4.774 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 223844847 ZHXAVANDFHKXKT-INIZCTEOSA-N 560.931 4.889 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223984353 XHNGUAVMSLEQJW-VWLOTQADSA-N 585.689 4.984 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 224031241 GESLSQIGVUBMTK-IBGZPJMESA-N 530.090 4.591 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 224052588 YJXFKNWPYMYXNR-SSEXGKCCSA-N 579.763 4.965 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 224168813 NJDWYEIZCOWDMT-HHHXNRCGSA-N 556.128 4.581 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224254336 SASDUHUOCHDEQY-JOCHJYFZSA-N 542.529 4.792 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 224342236 PKDJCRXYXUKMID-JOCHJYFZSA-N 584.964 4.735 0 40 KJAB CC(C)Oc1cccc(N(Cc2ccc(C(=O)NCCOc3ccccc3Cl)cc2)S(C)(=O)=O)c1 224911059 XMPWPRVTFKWJED-UHFFFAOYSA-N 517.047 4.902 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)c1 224940203 HDMDBPGVOORUOE-SFHVURJKSA-N 604.091 5.000 0 40 KJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 225043395 VLXPCCCYHPJKFJ-QFIPXVFZSA-N 586.552 4.630 0 40 KJAB O=C(Nc1nnc(S(=O)(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)s1)c1ccccc1Cl 225089367 IRJGQDKWPJEPHX-GOSISDBHSA-N 519.048 4.949 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 225123158 KVOUHUFZTMGSOM-NDEPHWFRSA-N 586.154 4.588 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 225362229 QIVWMHVYHHKHBH-VWLOTQADSA-N 578.573 4.514 0 40 KJAB O=C1C[C@@H](c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c2cccn2-c2cc3c(cc21)OCCO3 225382860 HKYIUQQQNSPMKZ-NRFANRHFSA-N 544.585 4.539 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 225438018 RCVKIYGOIPACDM-AOYPEHQESA-N 549.737 4.873 0 40 KJAB 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CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)N(CC)CC)c4c(CC)cccc34)N(CC(=O)OC)C2=S)cc1 409129504 KAGBVVHJHHWLBB-ONUIUJJFSA-N 576.719 4.618 0 40 KJAB COCCCN1C(=O)S/C(=C/c2cc(OC)c(OCC(=O)Nc3ccc(F)cc3)cc2Br)C1=O 409221510 RHCCCFMXNZQTFS-RGVLZGJSSA-N 553.406 4.687 0 40 KJAB CCCN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)C1=O 409231409 JXZOBVONEMRPIA-LICLKQGHSA-N 606.173 4.917 0 40 KJAB O=C(COc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O)Nc1ccccc1 409236612 SGISGGXFXQBBNB-LPYMAVHISA-N 505.527 4.518 0 40 KJAB CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc1OC 409274499 DRVATPDKOZDCQB-OVCLIPMQSA-N 592.333 4.791 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1OCC(=O)Nc1ccccc1C 409275785 WVWZAWAQUZXNBP-MSXFZWOLSA-N 567.570 4.974 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(C(=O)OC)c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 409333600 IAZZWXDPIZBMOL-PRLWALMFSA-N 637.110 4.906 0 40 KJAB Cc1cc(OC[C@]2(CC(=O)N3CCC(O)CC3)CCCN(C(=O)c3ccc(F)cc3)C2)cc(C)c1Cl 585286794 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 8444635 ZJNHQPKKQBZSKM-LWUPDDLQSA-N 607.482 4.607 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(-c4ccccc4)[nH]c4c(OC)cccc34)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 8451560 VXAYJNMWDHFNRL-XLHJEKARSA-N 609.704 4.972 0 40 KJAB COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)CN2N=N[C@@H]4C(=O)N(c5cccc(F)c5)C(=O)[C@@H]42)[C@H]3c2ccc(OC)cc2)cc1 8454990 RGNHPDLKVCRLRF-VEZKJUDQSA-N 622.657 4.959 0 40 KJAB COc1ccc(NC(=O)[C@H]([C@H]2CC=CCC2)N(Cc2ccccc2C)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 8712738 KFBGZBSKJJLIOV-JHOBJCJYSA-N 551.643 4.925 0 40 KJAB COc1ccc([C@H]2[C@@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3[C@]23N=C(c2ccccc2)OC3=O)cc1 8856688 PMGLUWPDZIVUOU-PZTYDPALSA-N 507.590 4.909 0 40 KJAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c(NC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)scc12 11757903 GNYUAQSROZEICW-FMIVXFBMSA-N 549.605 4.610 0 40 KJAB C[C@@]1(C2=NO[C@@H](CNc3ncc(C(F)(F)F)cc3Cl)C2)NC(=O)N(c2ncc(C(F)(F)F)cc2Cl)N1 12856954 HNRFWQUBLBZFJG-BMLIUANNSA-N 558.270 4.828 0 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Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1 59887480 WSMSCTVHNGHBTC-UHFFFAOYSA-N 535.647 4.630 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(F)c4)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC 97959550 NQJPPBHEJDXWNL-UNDLXJOSSA-N 632.710 4.932 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2ccc(F)cc2)cc1 97995475 CPILCQMAEUOLRZ-QHCPKHFHSA-N 523.561 4.673 0 40 KJAB O=C(c1ccc(F)cc1)c1ccc(OCC(=O)N2CCN(C(=O)COc3ccc(-c4ccccc4)cc3)CC2)cc1 97995640 AQSLBCQNQMPUIH-UHFFFAOYSA-N 552.602 4.852 0 40 KJAB COc1ccc(CCN2C(=S)N(c3ccc(N(C)C)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(C)cc2)cc1OC 98000137 HTPGHQXCQNSTJI-RUZDIDTESA-N 546.693 4.652 0 40 KJAB Cc1c([C@@H](N)O)sc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)c1C(=O)OC(C)C 98050218 DRQURPMOUMKJJM-KRWDZBQOSA-N 546.618 4.839 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCCOc4ccc(C)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 100270596 VCBFWUMDVGUUEQ-DEDRDRDXSA-N 614.720 4.582 0 40 KJAB COc1cccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2OC)C(=O)Cn2nnc3ccccc32)c1 100363381 VRLBLBHAJVHAFY-PMERELPUSA-N 541.652 4.668 0 40 KJAB CCc1cc(Br)ccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102087046 OSYIGRZIESSSNH-SATZIVDQSA-N 519.439 4.614 0 40 KJAB CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccccc3OC)C(=O)N12)C(=O)Nc1cccc(OC)c1 102745586 MQORJXKORTVVKC-XNMGPUDCSA-N 599.713 4.909 0 40 KJAB CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c2)cc1 102996534 AUGDEIWTIGQVTM-UHFFFAOYSA-N 585.748 4.720 0 40 KJAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@@H](C)c1ccccc1 103004306 QGVDOUHBSVANAF-GOTSBHOMSA-N 603.770 4.645 0 40 KJAB O=C(COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1cc(Cl)ccc1Oc1ccccc1 103131454 SDGNSDUXECTKEA-AOMKIAJQSA-N 599.876 4.745 0 40 KJAB CCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c(NC(=S)NC(=O)c3cccc(OCC)c3)c2)c1 112239161 CYZPBUKTJPRUDG-UHFFFAOYSA-N 607.758 4.574 0 40 KJAB 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CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(Cc1ccc(OC)cc1)C(=O)CCC(=O)Nc1cc(C)on1 38145988 KRATUMFWLKAIGA-MUUNZHRXSA-N 580.682 4.802 0 40 KJAB CCOc1ccccc1CNC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(SC)cc1 44880054 QWOUHWBCUCKXBG-UHFFFAOYSA-N 514.669 4.718 0 40 KJAB CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 59881643 SVZXJDHTNHWQOA-QGZVFWFLSA-N 585.626 4.698 0 40 KJAB C[C@@H]1[C@@H](NC(=O)Cc2ccccc2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3cc(F)cc(F)c3)[C@H](O)[C@@H]12 67898935 GHBALLFAQGOXBR-TWDKTPHJSA-N 512.641 4.768 0 40 KJAB biogenic,in-vitro CCOC(=O)C1=C(C)C2(Br)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3C1(C)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 95100724 BDVCXCSXWQRPKZ-UHYRIJSISA-N 646.321 4.952 0 40 KJAB CCCCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1OC 97946421 HPODIMJPGVUORH-OIUASMPBSA-N 636.767 4.946 0 40 KJAB CCCNS(=O)(=O)c1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1N1CCCC1 100066838 NNNDNTZIROHKPK-UHFFFAOYSA-N 546.737 4.523 0 40 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CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 223702615 RCYBRPCJAFLNOU-DEOSSOPVSA-N 550.165 4.959 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 223703898 HJCQKQFJUFIXCY-IBGZPJMESA-N 578.518 4.751 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 223914521 LWSHLPARMPZYIG-INIZCTEOSA-N 560.931 4.889 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 224052678 ZVHZXVMUBMGPGP-VWLOTQADSA-N 577.747 4.983 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 224498700 AQYUOEJCORXWBB-HSZRJFAPSA-N 556.128 4.767 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 224545228 HKAJPDWZHXHCKB-SSEXGKCCSA-N 593.746 4.765 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224589120 AXANQFIKQGJHRT-MHZLTWQESA-N 606.572 4.934 0 40 KJAB 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Cc1cc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)cc(C)c1Br 408683384 HYXPWUODZKYCAW-BGYRXZFFSA-N 513.388 4.541 0 40 KJAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1cccc(Cl)c1 408695411 UFDLRWWARSWCGN-UHFFFAOYSA-N 556.493 4.979 0 40 KJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)c1 408712351 PVKPRPHYYSIIEB-SFHVURJKSA-N 536.075 4.551 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC 408789042 IQXYRVOZYHSVKO-CWJUKMOQSA-N 692.588 4.596 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)c(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408841921 MJDNVSUKYPOLTO-XGHXRCDJSA-N 678.854 4.703 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C(C)C)c(OCC)cc3C)c(=O)n2[C@@H]1c1ccccc1 408844433 IWUWBFRLZBFMAL-GTWFGUSFSA-N 504.652 4.629 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C(F)(F)F)ccc3OC)C2=O)cc(Cl)c1OCC(=O)O 408869638 QEIUWNCDVNYRTG-LSCVHKIXSA-N 588.944 4.905 0 40 KJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)cc2)cc1 409179835 UEYFTDRUFOXHQC-UHFFFAOYSA-N 535.647 4.873 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)ccc1OCc1ccc(Cl)cc1 409198975 AMZWPXUPJSVAMS-LPYMAVHISA-N 523.948 4.988 0 40 KJAB CCN(CC)C(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 409201215 OKAVJONZOUDGIG-UHFFFAOYSA-N 508.265 4.815 0 40 KJAB CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 409268309 SCEFFXFYWUTESU-UHFFFAOYSA-N 500.020 4.704 0 40 KJAB Cc1cc(OC[C@]2(CC(=O)N3CCC(O)CC3)CCCN(C(=O)CCc3ccccc3)C2)cc(C)c1Cl 585287285 MEAICYOWUFBWJN-PMERELPUSA-N 527.105 4.951 0 40 KJAB CC(=O)N1CCCN(Cc2ccccn2)CCCN(C(=O)CCOc2ccc(F)cc2)Cc2ccccc21 643581553 UGFSIOTVCAIGBP-UHFFFAOYSA-N 518.633 4.667 0 40 KJAB COCCN1CCCCN(C(=O)CCc2ccc(OC)c(OC)c2OC)[C@@H](CC(C)C)COc2ccccc2C1=O 643584633 QZJIRACPQPJGJW-VWLOTQADSA-N 570.727 4.850 0 40 KJAB COc1ccc(CC(=O)N2CCCN(C(C)C)CCN(C(=O)c3cnc(C)nc3C)Cc3cccc(C)c32)cc1 2037912837 QMCWQBDZXDREOQ-UHFFFAOYSA-N 543.712 4.743 0 40 KJAB CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccco1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 1375290 IOZXOPMXQWVFOE-HHHXNRCGSA-N 512.614 4.935 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2C)cc1 2148754 RJWYPBIGXYUNLZ-DEOSSOPVSA-N 505.592 4.522 0 40 KJAB biogenic CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(Br)ccc3Cl)cc2)CC1 4121798 BIJGNHCBAYTJMT-UHFFFAOYSA-N 523.884 4.678 0 40 KJAB CCOc1ccc(CN(Cc2ccco2)[C@H](c2cc3cc(C)cc(C)c3[nH]c2=O)c2nnnn2CCOC)cc1 6196300 VZPYWRFFBBDGMB-MUUNZHRXSA-N 542.640 4.561 0 40 KJAB COc1cc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)[C@H]2COc3ccccc3O2)cc(OC)c1OC 6906398 SFFMBPXZAAJGDG-VSGBNLITSA-N 564.635 4.664 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 8406969 KUASZFUIQRVREA-JLKMOJGBSA-N 602.684 4.924 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@H]1c1ccc(Br)cc1 8444636 ZJNHQPKKQBZSKM-GJFKPFFXSA-N 607.482 4.607 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(Cc1cccs1)C(=O)CCC(=O)Nc1cc(C)on1 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100283965 AQRBUTWSRHOUGG-XMMPIXPASA-N 531.638 4.554 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)c(F)c1 100355831 VINJLQDXCCVFGI-HHHXNRCGSA-N 547.631 4.975 0 40 KJAB CC(=O)c1cccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NCc2ccco2)c2ccc(C)cc2)c1 100413544 JMSBNOJVEQOFLK-MHZLTWQESA-N 529.618 4.673 0 40 KJAB CCOC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)c4ccccc4C3=O)c2-c2nc3ccccc3s2)C1 100870477 POAUCUXBHGYHBV-UHFFFAOYSA-N 546.630 4.774 0 40 KJAB COc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)Nc4ccc(OC)c(OC)c4)S3)[C@H](c3ccccc3)C2)cc1 101294775 QQMVTUHMRJYXKH-JYFHCDHNSA-N 544.633 4.890 0 40 KJAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(I)cc1 101790124 MAZVJJGIHRCQSV-HSZRJFAPSA-N 517.750 4.952 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(C)C)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 103518666 DUAJUXKQMMWHLU-UQDCTOEPSA-N 564.704 4.629 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=S)NC(=O)c3ccccc3C)CC2)cc1 104085069 KEDGNEGXIVTADV-UHFFFAOYSA-N 543.114 4.595 0 40 KJAB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4cc(Br)cc(C)c4OC)cc3)CC2)c1 104146559 HMEATWZQMTWGQK-UHFFFAOYSA-N 568.468 4.998 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(I)c1OCc1ccc(C)cc1 106765380 HIBIFFUQXBFPSG-BKUYFWCQSA-N 592.455 4.846 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 222486013 KIPTZYNRYOLXMI-MHZLTWQESA-N 556.128 4.581 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 222618253 RNKRRJDULJXNAB-NDEPHWFRSA-N 569.699 4.670 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(Br)cc1Cl 222670523 QVNHHEOCCBLGTE-NSHDSACASA-N 508.627 4.951 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Br)cc1 222959849 FCTDUJJWMSMWQD-FQEVSTJZSA-N 620.541 4.736 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 222999525 HJJBIYXQZBOAMG-RUZDIDTESA-N 535.710 4.832 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 223111413 ODCDXTPTFGAIGW-LEWJYISDSA-N 651.542 4.958 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 223140323 GXKXQEMYLLEGJM-SANMLTNESA-N 539.673 4.743 0 40 KJAB COCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 223229403 OGYFTSWLHYCFJL-MGBGTMOVSA-N 663.768 4.807 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 223429249 HDQWJQAKSMLWNZ-AREMUKBSSA-N 572.127 4.714 0 40 KJAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 223520593 ZTMLJFVKKBXJCJ-RUZDIDTESA-N 565.736 4.657 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 224247927 PRYPMMDFHBKWIE-AREMUKBSSA-N 633.552 4.738 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224362662 ZSXKSPQDTQWYAS-SANMLTNESA-N 560.091 4.926 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 224377370 YKSQUOLLWBLGMW-HHHXNRCGSA-N 573.662 4.502 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 224408792 IGHNXXCAWOPYQL-QHCPKHFHSA-N 542.529 4.826 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 224549179 NXXRYSAHQHYXDH-MHZLTWQESA-N 636.598 4.943 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 224734490 BJHHTYUXCVLGJR-XMMPIXPASA-N 536.138 4.774 0 40 KJAB O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1CN1CCCC1 224775435 GAACMQPIAYDBTM-UHFFFAOYSA-N 516.038 4.587 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccccc1Cl)S(C)(=O)=O)[C@@H](Cc1ccccc1)C(=O)NC(C)C 224775875 VSTHTPNGOPXGGM-MHZLTWQESA-N 556.128 4.579 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3CN3CCCC3)Oc3ccc(Cl)cc32)cc1 224789555 VBIPJMXLLYWKQV-MHZLTWQESA-N 540.085 4.517 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224855012 UZPBDPJTSRNFOU-OAQYLSRUSA-N 560.091 4.926 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1Cl 225239413 SXIHZQQOZJKQII-VMPREFPWSA-N 597.185 4.638 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 225322698 XCDGLRRROSKZPV-SSEXGKCCSA-N 563.764 4.934 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225337642 BGSWZMUKFLGMMK-MUUNZHRXSA-N 570.155 4.825 0 40 KJAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 225431560 BAZWEFFDZCOCLD-MHZLTWQESA-N 553.700 4.706 0 40 KJAB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)O)c3)o2)ccc1NS(C)(=O)=O 225438198 LQIKHUNMYJWFPG-LOSJGSFVSA-N 564.645 4.597 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 225477471 DZGSKPGGDZDHHG-HHHXNRCGSA-N 592.108 4.941 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225552451 GYDHDSUPLNAJQZ-SFHVURJKSA-N 562.054 4.847 0 40 KJAB COc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1S(=O)(=O)N1CCCCC1 225585163 LDIAMTCNJUGUBM-UHFFFAOYSA-N 524.058 4.513 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1cccnc1 225663541 VREJYPMQSXRHCO-KAYWLYCHSA-N 512.639 4.586 0 40 KJAB O=C(NCCc1ccccc1)[C@@H]1CN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 226003360 DCYAJQSYTBZIBV-HKBQPEDESA-N 618.155 4.727 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCNc2ccnc3cc(Cl)ccc23)Cc2ccccc2)cc1C 226046480 HVYRUTJCBAHZMN-UHFFFAOYSA-N 553.084 4.624 0 40 KJAB Cc1cc(OCC2(CC(=O)N3CCOCC3)CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)ccc1Cl 257256185 KKJZKTWMOPXVSE-UHFFFAOYSA-N 575.049 4.766 0 40 KJAB CC(C)(C)OC(=O)NC1(C(=O)N2CCC(Cc3cc(Nc4nccs4)ncn3)CC2)CCCCC1 257293550 QQAKZPNLCXNTSO-UHFFFAOYSA-N 500.669 4.685 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 260738263 AAFHJNLFBMEBRM-RUZDIDTESA-N 577.747 4.983 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)[C@H](C)C(=O)NC2CCCC2)cc1 260787442 LHVHHHGASSZTIG-JOCHJYFZSA-N 627.735 4.523 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccccc1Br)S(C)(=O)=O)[C@H](Cc1ccccc1)C(=O)NC(C)C 260866573 JOQULILBVMXYFU-HHHXNRCGSA-N 600.579 4.688 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 260900689 DTGSVRSMLRCYQA-MBSDFSHPSA-N 542.529 4.790 0 40 KJAB COc1cccc(N(CCCC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c1 260931721 LAOPOJCILDPSDI-WJOKGBTCSA-N 593.790 4.962 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 260949344 JQMWWXYFHIVCTB-NVQXNPDNSA-N 533.710 4.711 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 260956605 WFWPMYIRABTDML-MUUNZHRXSA-N 570.155 4.827 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 261030908 JLXAXBCANKHLQN-GIGWZHCTSA-N 567.727 4.763 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc(F)c2)C1=O)N1CCCC1 408550982 LENLRMRMYKUOMH-UDWIEESQSA-N 519.392 4.826 0 40 KJAB Cc1cc(C)cc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)Nc2ccc3c(c2)OCO3)c1 408607554 NCSGASBSLIBDJZ-UHFFFAOYSA-N 549.381 4.710 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 408617732 IYOFWTOFNQZMMR-UHFFFAOYSA-N 523.655 4.756 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(C)c3C)CC2)Cc2c(F)cccc2Cl)cc1 408621579 NKWKCGNEQVZHOU-UHFFFAOYSA-N 544.092 4.944 0 40 KJAB COc1ccc(NC(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 408676841 DKUWXLWOJHAVSS-NPYONTDKSA-N 558.590 4.887 0 40 KJAB Cc1c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)ccc(Br)c1Cl 408679646 CVCJCKRMFIRRBR-QXUYJFJKSA-N 573.871 4.535 0 40 KJAB O=C(COC(=O)CCCCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)Nc1ccccc1 408679728 GZCACGDEHZZWOU-AGTZKDDFSA-N 522.601 4.621 0 40 KJAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC(C)C)cc4)c(=O)n32)c1 408774886 DIHRQEHYFNFGRV-YNMQQHPQSA-N 539.657 4.670 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCC)c(=O)n2[C@@H]1c1ccc(C)cc1 408834692 LOSDXHGRRKJLRV-ZRELAVNMSA-N 714.363 4.715 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC)c(I)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408835065 XWWQGEKUWPOHTO-IMEWXKHHSA-N 667.363 4.873 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(SC)cc4)c(=O)n32)cc1 408852346 SOEPLTZHFSXASJ-WHNPURCTSA-N 541.698 4.995 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 409093702 BEKOFRUWPHSHTG-RGVLZGJSSA-N 625.437 4.955 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1I 409102127 ZYRHWGOBEJKNJF-LZYBPNLTSA-N 652.610 4.588 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3/C(=O)N(CC)c4ccccc43)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 409143766 IVPUDJZRMTXMHN-FPHZCIQXSA-N 577.706 4.796 0 40 KJAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3nc(-c4ccccc4)c(C)s3)n2C)cc1 409146213 RRAGKSFVLOQZDW-MRXNPFEDSA-N 506.657 4.777 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2ccccc2OCCOc2ccccc2)C1=O)Nc1ccc2c(c1)OCCO2 409197489 GUEQYFVOXGTUSQ-PCLIKHOPSA-N 532.574 4.591 0 40 KJAB Cn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl 409361364 SAEYZQWAYOZBPR-RMKNXTFCSA-N 510.834 4.836 0 40 KJAB CCc1nccn1CCCOc1ccc(CN2CCOC[C@](COc3cccc(Cl)c3)(OC)C2)cc1OC 585272862 OYUOHHVEMYLUIH-GDLZYMKVSA-N 544.092 4.873 0 40 KJAB Cc1cc(OC[C@]2(CC(=O)N3CCC(O)CC3)CCCN(C(=O)c3cccc(N(C)C)c3)C2)cc(C)c1Cl 585287576 OUKGIUQRTZRSNO-PMERELPUSA-N 542.120 4.698 0 40 KJAB CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCc1nc(-c2ccco2)no1 604405898 WQSIHHFYJXUYLQ-KXZFAFFUSA-N 659.740 4.692 0 40 KJAB biogenic CC(C)N1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cc(-c4ccc(F)cc4)on3)CCO2)C1=O 643556102 GXJQTLLUPQZXOB-PMERELPUSA-N 535.616 4.734 0 40 KJAB C[C@H](CCOCCCCCCNC[C@H](O)c1ccc(OC[C@H](O)c2ccc(O)c(CO)c2)c(CO)c1)c1ccccc1 1570001709 KVSNHJHOIFZMAW-NRMCGMLCSA-N 581.750 4.883 0 40 KJAB Cc1ccc(Oc2cc(F)ccc2OC[C@@H](C)NC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1 2037949464 XKOIIORSRVUGSX-GWTOPCPNSA-N 696.776 4.577 0 40 KJAB O=C(NCc1ccccc1)[C@@H](c1ccco1)N(C(=O)Cn1nnc(-c2cccs2)n1)c1cccc2c1CCCC2 887583 ZWNKCZBHJWOEFV-MUUNZHRXSA-N 552.660 4.964 0 40 KJAB COc1cc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2cnccn2)c2cc(C)cc(C)c2)cc(OC)c1OC 920771 BJVPNLGUFVMCRN-HHHXNRCGSA-N 532.641 4.956 0 40 KJAB O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)OCO2 930827 QLJQGRUKQCBVSC-WUFINQPMSA-N 532.568 4.918 0 40 KJAB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(Br)o5)c(=O)n42)c2ccccc2CC3)cc1OC 2368176 IJZNZBRPKYGTPM-GLSAMTQTSA-N 549.446 4.691 0 40 KJAB COc1cc(OC)c(NS(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ncc(Cl)cc3Cl)c2)cc1Cl 3276984 DWBMWFHIOBVJLN-UHFFFAOYSA-N 574.826 4.655 0 40 KJAB C[C@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)Nc1nc(-c2ccccc2)cs1 3316465 YWVOBBPEGPFFHD-ZDUSSCGKSA-N 500.001 4.978 0 40 KJAB CC(C)(C)c1cc(O)nc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccc(F)cc3)n12 9018792 ORHXMVBIESIVGQ-KRWDZBQOSA-N 510.620 4.798 0 40 KJAB CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccc(OC)c(OC)c1 9855974 FMZBCPASWHZPJW-UHFFFAOYSA-N 514.578 4.850 0 40 KJAB CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccccc2F)cc1 12713680 NUXLBMYAKHKOEL-AREMUKBSSA-N 503.578 4.658 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1 13022812 YAJBQYOZKKSPBT-UHFFFAOYSA-N 503.621 4.622 0 40 KJAB COc1cc(OC)cc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2C)c1 13029211 HCJKYYFFJNIAFB-NDEPHWFRSA-N 529.641 4.755 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c(C)c1 13670516 KIOVKXYISBSUKO-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB O=C(c1ccccc1)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3C(=O)c3ccccc3)CC2)cc1 13894802 CXTBFYPQUPLZRH-UHFFFAOYSA-N 502.570 4.747 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2CCc2ccccc2)cc1 18190750 JYRKRRGEYJMXGV-XMMPIXPASA-N 519.985 4.925 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)Nc1ccc(F)c(F)c1F 20020931 MSMOJRQSIYTIIM-UHFFFAOYSA-N 504.408 4.941 0 40 KJAB Cc1cc2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(C4CCCCC4)CC3)c(=O)[nH]c2cc1C 20079806 TWHLVPIYQYBUIZ-HHHXNRCGSA-N 503.695 4.676 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(SC)c2)cc1Cl 22269683 MVUFXTIPCVVQQG-JOCHJYFZSA-N 505.061 4.989 0 40 KJAB Cc1cccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccc(Cl)cc2)Cc2ccco2)c1 27747607 DGIVMQCAFBVILG-UHFFFAOYSA-N 511.003 4.894 0 40 KJAB O=C1[C@@H]2[C@@H](c3ccc4ccccc4n3)N3CCC[C@@]3(C(=O)OCc3ccccc3)[C@H]2C(=O)N1c1ccccc1 33821680 VDIVWQCPHRJJKY-REKFDVGBSA-N 517.585 4.673 0 40 KJAB O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 44791657 PMTJKRLSRIDLIU-UHFFFAOYSA-N 504.439 4.538 0 40 KJAB CC[C@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)cc1 59980604 XEBGXHBURSCMGH-QFIPXVFZSA-N 563.072 4.837 0 40 KJAB CC[C@H](NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 59982580 UNCFHNGWSXHICH-QHCPKHFHSA-N 564.445 4.763 0 40 KJAB CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc(Cc2ccc3c(c2)OCO3)c1C 97963300 QDIPCIGDBXAUAO-UHFFFAOYSA-N 570.689 4.980 0 40 KJAB CC(=O)Oc1ccc2nc(-c3ccc(N4C(=O)c5ccc(-c6nc7ccc(OC(C)=O)cc7c(=O)o6)cc5C4=O)cc3)oc(=O)c2c1 98002646 JFADAJFHDRVJDZ-UHFFFAOYSA-N 629.537 4.675 0 40 KJAB O=C(CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NC[C@@H]2CCCO2)CC1)Nc1ccccc1Cl 98049362 ZMPWKTDSTCULGU-CBNMVNINSA-N 569.127 4.882 0 40 KJAB CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O 100375231 FQNLPPHJHDJDPR-MHZLTWQESA-N 536.636 4.948 0 40 KJAB CN(C)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(c6ccc(Cl)cc6)C(=O)[C@@H]54)[C@@H]23)cc1 105294390 WBQKVTIXIWJOTC-ALRBCSKVSA-N 538.094 4.834 0 40 KJAB O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccc(F)cc1 105318651 XUOZHYOUYIXQHO-UHFFFAOYSA-N 524.490 4.975 0 40 KJAB O=C(CSc1ccc(Cl)cc1)NC(=S)Nc1c(I)cc(I)cc1C(=O)O 150342103 NIWNMRHWBOLNKX-UHFFFAOYSA-N 632.670 4.853 0 40 KJAB CCOC(=O)c1sc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(Br)c(O)c(OCC)c4)[C@H]3C2=O)c(C(=O)OC)c1C 150441553 AAYYNCIIYJVLAB-GIWBLDEGSA-N 659.511 4.938 0 40 KJAB Cc1ccccc1[C@@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)c1ccccc1 215970701 HZXQNCJRQCJGFF-PMERELPUSA-N 528.630 4.867 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 222416581 XSXYLKJPMKWLMI-MUUNZHRXSA-N 535.710 4.831 0 40 KJAB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 222751042 KSHXNQMUQFURRI-SFHVURJKSA-N 564.491 4.715 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 222860756 PUSQHPXDNVQZGG-JGCGQSQUSA-N 615.752 4.594 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 222976278 LZPGEHYLTTVEIS-MHZLTWQESA-N 535.710 4.669 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223078253 UQRAPMPDKSLKCA-GOSISDBHSA-N 572.953 4.511 0 40 KJAB Cc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1 223098250 HHDWKQNDKPUTSO-DEOSSOPVSA-N 535.710 4.565 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223127983 SDJQYCNSTTWTQH-HXUWFJFHSA-N 555.663 4.626 0 40 KJAB Fc1cc(Br)ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)o1 223160213 PFHAZIDOGGDKHO-GOTSBHOMSA-N 531.451 4.548 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 223174220 PXHLHLQDFMTQAH-MUUNZHRXSA-N 571.690 4.596 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223230570 MRWYNVVAXSGGTK-MUUNZHRXSA-N 565.736 4.921 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN1C(=O)c2ccccc2C1=O 223356446 YWFXVDKAHBBZFT-GIGWZHCTSA-N 539.676 4.926 0 40 KJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 223537978 WMBCQZQAMKQOMC-SANMLTNESA-N 549.737 4.875 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 223565487 XCQANVSTEFVIAS-MUUNZHRXSA-N 535.710 4.914 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(OC)cc1 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538.113 4.675 0 40 KJAB COc1ccc2c(c1)c(CN1CC(=O)NCCCCCOc3ccc(CCC(=O)O)cc3C1)cn2C(C)C 643571817 MFYPSFDWKJAWRX-UHFFFAOYSA-N 521.658 4.929 0 40 KJAB Cc1cccc(CC(=O)N2CCOc3ccc(-c4cncnc4)cc3Cc3cccc(c3)C(=O)N(C)CC2)c1 643582055 JTKZOQLFUOYASW-UHFFFAOYSA-N 520.633 4.579 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1374832 AVMRYEQPBBJVFL-SANMLTNESA-N 540.599 4.627 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc(F)cc4)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 2124307 GPLMUFYPDCENKL-ASZNLBCTSA-N 558.631 4.525 0 40 KJAB Cc1cccc(C)c1N(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccccc2s1 3241798 UPUROXMTZDKGMM-UHFFFAOYSA-N 507.637 4.913 0 40 KJAB O=C(c1ccc(F)cc1)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 9192235 XPWOMIFNBDIXNV-WZYRSQIMSA-N 508.336 4.894 0 40 KJAB CCOc1ccc([C@H](C(=O)NCc2ccccc2)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)cc1 13028415 IQXXNUBTWYZVRS-GDLZYMKVSA-N 523.593 4.510 0 40 KJAB 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4.565 0 40 KJAB CCOC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)O)c1 409381754 JKEKTMNNGFVEIG-FGZHOGPDSA-N 574.369 4.644 0 40 KJAB CCn1nc(C2CC2)cc1C(=O)N1Cc2ccccc2N(C(C)=O)CC[C@H]2CC[C@@H](C1)N2Cc1ccncc1 643567661 ONXWXKBSIDDTFJ-SXOMAYOGSA-N 526.685 4.608 0 40 KJAB COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1 901402 LTPIWESUVHBQRW-SANMLTNESA-N 503.628 4.725 0 40 KJAB O=C(C[C@@H]1C(=O)N(c2ccc(F)cc2)C(=S)N1Cc1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1 1440562 YKZKRGHQXVFORB-HXUWFJFHSA-N 511.962 4.739 0 40 KJAB Cc1cc(Br)c(NC(=O)CSc2nnc(-c3ccccc3C)n2N)c(Br)c1 2233111 OSFFTOIDDFPHNA-UHFFFAOYSA-N 511.243 4.532 0 40 KJAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)c1 2649196 LKGBBIBYICKBAC-UHFFFAOYSA-N 549.877 4.621 0 40 KJAB Cc1cccc(Cn2c(=O)n(-c3ccccc3C(F)(F)F)c(=O)c3c(C)c(C(=O)N(C)C)sc32)c1 2686582 VZYORQCKABCUOL-UHFFFAOYSA-N 501.530 4.600 0 40 KJAB C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1=O 3255297 RDANWHQNMDQCLW-SFHVURJKSA-N 504.690 4.527 0 40 KJAB Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2c1 6178016 UASHRXABBXZZJL-XMMPIXPASA-N 539.606 4.817 0 40 KJAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N(Cc3ccco3)Cc3cccs3)cc2c1 6196986 KOVUXZCXDCOOLI-ATIYNZHBSA-N 546.653 4.539 0 40 KJAB C[C@@H](OC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 12546925 GQHNLPZWFVRAAK-HXUWFJFHSA-N 514.557 4.699 0 40 KJAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)cc1 12559328 IBFRIJCETXPJQR-UHFFFAOYSA-N 519.929 4.577 0 40 KJAB COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2cccc(F)c2)c1 13028596 FEVYMUMPLIPJAV-NDEPHWFRSA-N 515.589 4.802 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCCN2CCCCCC2)cc1)c1cccc(Cl)c1Cl 13612584 ARTUXLVXSPTRJY-UHFFFAOYSA-N 512.503 4.956 0 40 KJAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 13681464 IZLQCTOXYWTEIR-GOSISDBHSA-N 526.486 4.704 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2Cl)c2ccc(Cl)cc2)cc1OC 14155449 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570.155 4.888 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)N(C)C)c1 260914424 FLMBIGSSDQNLLQ-WJOKGBTCSA-N 592.806 4.637 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 260968301 MAZRRMRWLNCFBD-VXKWHMMOSA-N 557.663 4.801 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 260979606 NUWNCIJAJCUYJE-OALUTQOASA-N 572.555 4.880 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 261022789 VRRAGUSAFUDHFQ-WJOKGBTCSA-N 591.774 4.723 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 261045680 ZHHIUTPWOUTWDE-DQEYMECFSA-N 565.736 4.839 0 40 KJAB O=C(O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C1=O 408595198 VXKSVGZNRXXVFT-PJQLUOCWSA-N 534.577 4.966 0 40 KJAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 408619242 LHLDNWVTDFQUJE-UHFFFAOYSA-N 586.972 4.997 0 40 KJAB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408644767 RSRWXTSSGUFKMW-SVBPBHIXSA-N 607.084 4.998 0 40 KJAB CC(C)OC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1 408651750 DTDXWVHRUTZYFY-NRFANRHFSA-N 516.550 4.579 0 40 KJAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 408694834 IFPNMYAUNWMYDA-UHFFFAOYSA-N 518.079 4.537 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 408695644 SOBMMKTYUZMVJZ-UHFFFAOYSA-N 581.638 4.687 0 40 KJAB Cc1ccc(NC(=O)[C@H](Cc2cc(I)c(O)c(I)c2)NC(=O)OC(C)(C)C)cc1 408738687 UXGZIZVZXYHMLC-KRWDZBQOSA-N 622.241 4.984 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCC)c(=O)n2[C@H]1c1ccc(F)cc1 408816923 UYPOHOWJHKVABR-RZXXJPOTSA-N 671.326 4.703 0 40 KJAB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc(Cl)c1OC 408928280 ZBPRLUBOLXDRRE-GJFKPFFXSA-N 564.038 4.684 0 40 KJAB 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O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)Nc1cccc(Cl)c1Cl 902371 QBMPSILPFHYRGR-UHFFFAOYSA-N 513.428 4.559 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1 980265 KZEPDIGJQAVSFN-UHFFFAOYSA-N 551.646 4.684 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccc(OCc2ccc(F)cc2)c(OC)c1 1418595 CXQYSWKIFCJKGR-AREMUKBSSA-N 500.530 4.994 0 40 KJAB CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)CC(=O)N21 2109854 KMMAAIAPVTWAHV-FKAPRUDGSA-N 539.632 4.511 0 40 KJAB biogenic Cc1ccc(S(=O)(=O)Nc2ccccc2CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 2238429 GUWYFFAPQPDOCT-UHFFFAOYSA-N 514.654 4.665 0 40 KJAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]cn1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 5460431 AAKFOLFNORPNSI-XZWHSSHBSA-N 623.666 4.678 0 40 KJAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC=C(c4ccc(F)cc4)CC3)cc2c1 6196880 GFZPFIMXLANEKY-LJAQVGFWSA-N 536.611 4.979 0 40 KJAB COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N(CCc1ccccc1)Cc1ccc(Cl)cc1 6443687 LGJSVEUMTOPIEL-NDEPHWFRSA-N 543.071 4.957 0 40 KJAB COc1cc(OC)cc(N2C(=O)N(Cc3ccc(Br)cc3)c3ccccc3S2(=O)=O)c1 8757048 OVGXGDQQGWCODN-UHFFFAOYSA-N 503.374 4.802 0 40 KJAB COc1cc([C@@H]2CC(c3c(O)cc(C)oc3=O)=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)ccc1O 9409775 JHDLIQMEODEINT-IBGZPJMESA-N 520.929 4.584 0 40 KJAB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)S(C)(=O)=O)c1 10365482 YHENOXGWRGKYQW-NRFANRHFSA-N 529.684 4.514 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 13024575 FLBRFIXMIKRSOK-VWLOTQADSA-N 505.644 4.576 0 40 KJAB COc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)C2CCCCC2)cc1OC 13030522 RDXVWYGCXFOEQQ-MUUNZHRXSA-N 521.662 4.513 0 40 KJAB COC(=O)c1ccc(C)c(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 20061255 NMVDIRVDILTTCY-UHFFFAOYSA-N 506.502 4.634 0 40 KJAB COc1ccc(N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 22535685 ZCTZINPIRAKRIF-NRFANRHFSA-N 526.655 4.710 0 40 KJAB COc1ccc(NC(=S)NC(=O)c2cc(I)ccc2Cl)cc1-c1ccc(CO)o1 59825740 TZDWNQGFRIOBNV-UHFFFAOYSA-N 542.782 4.832 0 40 KJAB COc1ccccc1N1CCN(C(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2Cc2cc(-c3ccccn3)on2)CC1 67870966 QMZQPIBALWKQPK-ZEQRLZLVSA-N 575.710 4.900 0 40 KJAB biogenic,in-vitro CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCC(=O)O)C(=O)N32)cc1 70699730 MGKVVXLIPLCQHL-LBNVMWSVSA-N 536.588 4.589 0 40 KJAB biogenic COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NC[C@H]5CCCO5)cc4)C(=O)N32)cc1 70707031 CXTBHEZZXMHYKS-OVTKCHPXSA-N 550.615 4.568 0 40 KJAB biogenic COc1ccc(CCNc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)cc2)cc1OC 98047872 GCYFFCMGQFBTCV-UHFFFAOYSA-N 543.443 4.865 0 40 KJAB O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1 100250749 YTAABPGORRTTNR-UHFFFAOYSA-N 532.493 4.529 0 40 KJAB O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc(-c2ccccc2F)n1 100288869 MEALCBBZVKOWBH-HHHXNRCGSA-N 548.569 4.586 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1 100355867 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0 40 KJAB CSCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCc1cc(=O)oc2cc(NC(C)=O)ccc12 16044310 PAGPXHHQIOXERB-HSZRJFAPSA-N 524.639 4.644 0 40 KJAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(cc5c6c(cccc64)CC5)s3)cc2)C[C@@H](C)O1 17247292 QHYJVBYQJGONGW-IYBDPMFKSA-N 507.637 4.598 0 40 KJAB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(-n2ccnc2)cc1 19934391 YHRUTYSRICOKJQ-UHFFFAOYSA-N 515.422 4.691 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2noc(-c3ccc(Br)cc3)n2)sc2c1CCC2 28527314 DPHBFQIHIZRTKI-UHFFFAOYSA-N 508.419 4.957 0 40 KJAB Cc1ccc(Cn2c(=O)c3ccccc3n3c(CCC(=O)NCCCN(Cc4ccco4)C4CCCC4)nnc23)cc1 33356677 CXBHDPXEUSKONC-UHFFFAOYSA-N 566.706 4.878 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccc(OC)c(OC)c3)cc2)cc1 44838616 AOQKFMJHEKAGLC-INIZCTEOSA-N 502.614 4.633 0 40 KJAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([C@H]4SCC(=O)N4CCc4ccccc4)cc3)cc2)n1 60028172 ZWNVBUJXUPGEGS-MUUNZHRXSA-N 573.700 4.655 0 40 KJAB Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3C(=O)NC[C@@H]3CCCO3)C(=O)N21 70700177 URTSUOQWJTVIGT-UZEWVABRSA-N 534.616 4.868 0 40 KJAB biogenic Cc1nn(-c2ccccc2)c(C)c1P(=Nc1ccc(Br)cc1)(N1CCOCC1)N1CCOCC1 97983473 RJZWMCPRDQOAHN-UHFFFAOYSA-N 544.434 4.904 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc(F)cc4)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 100304894 GPLMUFYPDCENKL-RGFRMHDHSA-N 558.631 4.525 0 40 KJAB COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)c1OC 100363877 PPUULNOWOQDSNA-MUUNZHRXSA-N 545.615 4.811 0 40 KJAB CCOC(=O)c1ccc(N(C(=O)CCC(=O)Nc2cc(C)on2)[C@@H](C(=O)NC(C)(C)CC)c2cccc(OC)c2OC)cc1 100416011 CNBCVBSJOXBHPN-MUUNZHRXSA-N 608.692 4.975 0 40 KJAB CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCCc3ccccc3)C(=O)N12)C(=O)Nc1ccc2c(c1)OCO2 102745633 IOSKSKWTEJYRBY-RPLLCQBOSA-N 597.697 4.663 0 40 KJAB COc1ccccc1-n1c(CNC(=O)c2ccc(C(C)(C)C)cc2)nnc1SCC(=O)Nc1nccs1 103782892 OSLZIKWOMHUGDN-UHFFFAOYSA-N 536.683 4.691 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4ccc(OC)c(OC)c4)c(=O)n32)cc1 103865348 FSOPUQUASNUBCP-NULZLWRNSA-N 569.683 4.517 0 40 KJAB O=C(NC(=S)Nc1c(Cl)ccc2nsnc12)c1cc(I)ccc1Cl 105222840 BCKHRBHOVFEMNZ-UHFFFAOYSA-N 509.181 4.730 0 40 KJAB CCc1nnc(SCc2ccccc2)n1NC(=S)NC(=O)c1cc(I)ccc1Cl 105303927 BGGHIAGXVNHLJJ-UHFFFAOYSA-N 557.870 4.649 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NC3CCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 108450350 WHIQMJMCAALQBT-VWLOTQADSA-N 565.711 4.894 0 40 KJAB biogenic CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1ccccc1 111465351 VHJNXOKFHUARBC-MZANGIHLSA-N 605.510 4.715 0 40 KJAB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1 139868906 CLCJZWRAAOCUFL-UHFFFAOYSA-N 556.526 4.947 0 40 KJAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 222880912 PWKFEBDRKDKWJF-LJQANCHMSA-N 582.044 4.760 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 223024563 COFGPPCOMQCNIC-QHCPKHFHSA-N 569.699 4.672 0 40 KJAB COc1ccc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)cc1C(=O)N1CCC(C)CC1 223588281 PTNAQWCHDCQFSK-UHFFFAOYSA-N 518.686 4.512 0 40 KJAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 223589226 FMIMRZPMQCKIAG-UHFFFAOYSA-N 547.062 4.612 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C)cc2C)c2cccc(Cl)c2C)cc1 223605380 XRIMVQISPFUTQG-UHFFFAOYSA-N 501.048 4.964 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCC2=CCCCC2)c2ccc(C)cc2)cc1Br 223732952 KVDUXLAOLKQJNS-UHFFFAOYSA-N 507.450 4.578 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 223765404 YNSIMHLHWJZMSW-JOCHJYFZSA-N 542.529 4.792 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(Cl)cc1 223794740 KDXZXQGOXCVHLO-FQEVSTJZSA-N 576.090 4.627 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223842768 ZZERONGXFKJHNH-INIZCTEOSA-N 560.931 4.889 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1 223870281 XUIWMIBQFAJBBD-QHCPKHFHSA-N 551.684 4.806 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223885941 YNCRGMIRUKHNSC-HSZRJFAPSA-N 600.565 4.644 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1C 224168426 NJRPZBKOVIUXLG-NDEPHWFRSA-N 549.737 4.624 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 224222004 NGSRFEOHELQBMD-RUZDIDTESA-N 578.573 4.698 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccccc1 224708218 DDVOBDXONALXTB-DEOSSOPVSA-N 535.710 4.696 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 224723144 GVOZPRKMMAVZJV-RUZDIDTESA-N 535.710 4.751 0 40 KJAB Cc1cccc(C)c1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 224993445 YQGYTTIGFMIXHN-MHZLTWQESA-N 614.606 4.997 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 225029851 PALRIICSGKDQKC-HHHXNRCGSA-N 527.731 4.798 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225056379 FOHLOXOTIYOLBS-SANMLTNESA-N 571.740 4.526 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)O)o2)cc1 225226489 PEERZWFJEMSDER-CLJLJLNGSA-N 528.590 4.802 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 225228342 ZYXVWIJYRWBECT-HUUCEWRRSA-N 566.910 4.884 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 225341218 HRHQADDTFAKBJE-RTBURBONSA-N 572.555 4.880 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225358461 RWCWJUSRXNSXHR-NRFANRHFSA-N 548.920 4.601 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 225477804 GINOBLLVDIMFPF-LJQANCHMSA-N 622.969 4.778 0 40 KJAB COc1ccc(-c2nnc(NC(=O)c3ccc(N(Cc4ccccc4F)S(C)(=O)=O)cc3)s2)cc1 225479733 SMTYPUXTJJEKNB-UHFFFAOYSA-N 512.588 4.571 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 225553771 LGGQISQAPYHDLC-MHZLTWQESA-N 618.569 4.911 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 225636852 ALNFRGFVCQUWHQ-NBGIEHNGSA-N 552.137 4.617 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 225646576 JJNULEZNJBQMJM-KDYSTLNUSA-N 557.663 4.882 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225673280 BZDCJFHMJNNQNC-QHCPKHFHSA-N 583.776 4.863 0 40 KJAB COC(=O)[C@H]1CN(C(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)c2ccccc2O1 226039305 OJRLDXIMXZKMPK-HSZRJFAPSA-N 628.328 4.914 0 40 KJAB CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 245204699 GBABOYUKABKIAF-SULIYOFUSA-N 778.947 4.754 0 40 KJAB CN1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CCCN(C(=O)c3ccc(OC(F)(F)F)cc3)C2)CC1 257214723 CNESXVXUIWQFSP-SANMLTNESA-N 554.009 4.704 0 40 KJAB COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)c(OC)c1)CN2Cc1ccc(-c2ccccc2OC)cc1 257326771 WYNLLNRLEOPNEO-JCYYIGJDSA-N 530.665 4.842 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NC[C@H](C)c2ccccc2)c2ccc(C)cc2)cc1Br 260790366 BVVRTKNWFYUEIG-IBGZPJMESA-N 531.472 4.881 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1C 260810641 TZXWKUPHAXGFEH-GOSISDBHSA-N 542.529 4.708 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](CC)C(=O)NC)S(=O)(=O)c2ccc(F)cc2)cc1 260855905 FVLFKNUSZSNEAI-AREMUKBSSA-N 576.090 4.627 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1C 260889444 QQZYKVQJECVBQN-OAQYLSRUSA-N 566.562 4.554 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 260921953 GRAQFMIWJWZGFH-VXKWHMMOSA-N 536.138 4.835 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc(F)c1 260924705 AJZUOJTUACLQCX-MUUNZHRXSA-N 586.129 4.944 0 40 KJAB Cc1cccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 260946990 DRHXNASIDPBZPT-GDLZYMKVSA-N 582.166 4.968 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 261014428 HISHCMDKUOJQIT-RNAHPLFWSA-N 563.764 4.933 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 261029531 JGSYEHBFKSOFJL-YADHBBJMSA-N 557.663 4.801 0 40 KJAB CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 408548789 VDCCUMMFOKLRFN-UHFFFAOYSA-N 562.113 4.982 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)c(C)c1 408555283 AEHOUJZIGMFAHW-LJAQVGFWSA-N 545.749 4.946 0 40 KJAB Cc1cc(C)cc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NC2CCCCC2)c1 408582870 YENZNVUWCRIGDG-UHFFFAOYSA-N 511.420 4.792 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)sc2c1CCC2 408623732 YTTJYZASRBCTCC-UHFFFAOYSA-N 525.863 4.778 0 40 KJAB CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1OCC 408694048 AELIQRMMZYFQMA-UHFFFAOYSA-N 511.021 4.739 0 40 KJAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3)CC2)c1 408695587 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539.657 4.670 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC 409108100 UZTCFKXHYPVCRP-GJKZIJEQSA-N 597.737 4.700 0 40 KJAB CCc1cccc2c(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cn(CC(=O)NC[C@@H]3CCCO3)c12 409125116 JBXGBNKLLGYWBO-XYUXXQEKSA-N 503.624 4.735 0 40 KJAB CCc1cccc2c(/C=C3\SC(=O)N(CCOc4ccccc4)C3=O)cn(CC(=O)NC[C@H]3CCCO3)c12 409140436 FFWGQHBMWFBYEO-TXUMJUCDSA-N 533.650 4.614 0 40 KJAB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3c(C)n(C)c4ccccc34)C2=O)ccc1Cl 409155278 IEUHTTJSSBJCTJ-MTJSOVHGSA-N 511.987 4.992 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Br)c1OCc1ccc(Br)cc1 409189007 MRUZVKHGNGHERI-CXUHLZMHSA-N 510.182 4.712 0 40 KJAB COc1c(I)cc(I)cc1/C=C1\SC(=N)N(c2ccc3c(c2)OCO3)C1=O 409336245 NDZQEHFRYRCTER-JXYYYQKCSA-N 606.179 4.689 0 40 KJAB CCn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1-c1cc2cc(Br)ccc2o1 409344720 JXIQIKPRAXRLPB-UHFFFAOYSA-N 501.362 4.903 0 40 KJAB COc1cccc(CN2CCCN(C(C)=O)c3ccccc3CN(C(=O)c3ccc(Cn4cc(C)cn4)o3)CC2)c1 643559767 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COc1ccc(C(=O)N/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(=O)NC[C@H]2CCCO2)cc1 100820224 ICXRYZGPSCYJOO-IOGUJBTOSA-N 540.595 4.753 0 40 KJAB CCCOc1ccc(N2C(=O)C[C@H](N(Cc3ccc4c(c3)OCO4)C(=O)c3ccc(Cl)cc3)C2=O)cc1 100861081 XJVJENIKBGASAM-QHCPKHFHSA-N 520.969 4.832 0 40 KJAB CCOC(=O)C1=C(CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)NC(=O)N[C@H]1c1ccccc1 103132767 IPPNOWYTCMPENQ-SANMLTNESA-N 540.645 4.717 0 40 KJAB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)c(OC)c1 104165050 OROBGEJBNMQCSH-DEQYAXRXSA-N 505.996 4.655 0 40 KJAB CCCCOC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)c(C)c2)c1 138938809 ZOCLDVVAESFRQI-UHFFFAOYSA-N 519.392 4.615 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 222558322 YQJHPMWMLSMDPP-FQEVSTJZSA-N 560.141 4.729 0 40 KJAB COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 222740377 QRKUDOAAKRGDQG-MUUNZHRXSA-N 522.617 4.634 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1OC 222742578 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559.626 4.723 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 261022894 WGEOBAZAMVFKOJ-GOTSBHOMSA-N 569.699 4.670 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 261088136 SQWXANBNDXPWFA-OUTSHDOLSA-N 567.727 4.763 0 40 KJAB COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)c1 408647738 VMDMDDTYUSNOPG-BOUXLOLZSA-N 503.382 4.663 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Br)cc2)cc1 408664736 JUAAFYAVCJFNKX-UHFFFAOYSA-N 519.392 4.697 0 40 KJAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)S(C)(=O)=O)cc1Cl 408711101 AVYLCYVHJWYFMB-GOSISDBHSA-N 566.101 4.559 0 40 KJAB Cc1c(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408772104 CWEDPMKLPGEMMV-UHFFFAOYSA-N 545.448 4.625 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 408803009 KIZFYSXWNGVAQO-BIWBSIMWSA-N 546.595 4.656 0 40 KJAB 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CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)ccc1Cl 409153272 HLJQHEFWINFCPA-CIAFOILYSA-N 563.028 4.998 0 40 KJAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)Nc4cccc(Cl)c4Cl)cc3)C2)cc1 409157402 QQRUNIOKEHRSOE-SFHVURJKSA-N 542.419 4.689 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)OC 409223995 JTPIUQLMSILGKD-LSCVHKIXSA-N 557.383 4.758 0 40 KJAB COc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)ccc1OCC(=O)Nc1cc(C)ccc1C 409257903 UIZLPKYLFOPDDV-UHFFFAOYSA-N 503.668 4.823 0 40 KJAB COc1cc(C(=S)N2C[C@H](C)O[C@H](C)C2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 409265807 PHVCYSYBTUPYCN-IYBDPMFKSA-N 507.450 4.568 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nccc(C)n4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 409269491 JVYMOHMOXWKVNJ-NWJPQEHXSA-N 598.681 4.917 0 40 KJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)ccc2Cl)c1C 409412040 QJLFMSKJABIVML-UHFFFAOYSA-N 525.030 4.808 0 40 KJAB COc1cc([C@H](CC(=O)N[C@@H](CC(C)C)c2nc3ccccc3n2C)c2oc(C)cc(=O)c2O)ccc1O 524730413 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COc1ccccc1N1CCN(C(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 12630596 YSMWUUJXXCZYBC-UHFFFAOYSA-N 519.711 4.835 0 40 KJAB COc1cc2cc(CN(Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1OC 13498824 YVNFIJMTGRYWDM-QHCPKHFHSA-N 510.664 4.748 0 40 KJAB Cc1cc(C)c2cc(CN(Cc3cccnc3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 13499053 UGRXPZWMBUOEKA-NDEPHWFRSA-N 507.642 4.974 0 40 KJAB Cc1ccccc1[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)c1ccccc1 20047159 DVEWBIGDZPJXRH-VMPREFPWSA-N 512.631 4.998 0 40 KJAB Cc1ccc(C)c(N2CCN([C@H](c3cc4c(C)ccc(C)c4[nH]c3=O)c3nnnn3C3CCCC3)CC2)c1 20079599 XZDGRSTYHXGGPO-MUUNZHRXSA-N 511.674 4.775 0 40 KJAB CCOC(=O)c1cc(NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccccc2)ccc1Cl 20490790 KZTMJQAAWOAMSV-UHFFFAOYSA-N 501.004 4.913 0 40 KJAB O=C(Nc1cc2ccccc2cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 33354726 ODAGPMYWVLJKSI-UHFFFAOYSA-N 632.764 4.913 0 40 KJAB CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1)S(=O)(=O)c1ccccc1 59886840 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CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)cc(OC)c3OC)c(=O)n2[C@H]1c1ccc(Cl)cc1 163659378 ODWWBVGAPBGTEL-DDYRAIOVSA-N 678.854 4.616 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 222485657 ZMNCLBQJJOCANE-HHHXNRCGSA-N 539.673 4.661 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 222530049 GXTJSATYXLWORJ-SKCUWOTOSA-N 569.699 4.752 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 222536364 GGEXWVJBKWUHOE-RUZDIDTESA-N 536.138 4.835 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 222642343 XHJOBTBHXRCWDL-IBGZPJMESA-N 578.518 4.669 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 222654482 CEOVFFNUFZZMQY-GOSISDBHSA-N 564.491 4.715 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 223097714 ZQKXDXTURBFPKH-VWLOTQADSA-N 535.710 4.832 0 40 KJAB 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CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 225376506 ZNIPACFEXFWYNR-TZIWHRDSSA-N 552.137 4.535 0 40 KJAB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccco3)c2C)ccc1NS(C)(=O)=O 225419892 LUONERPJJMMERT-CLJLJLNGSA-N 551.694 4.698 0 40 KJAB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)O)o2)ccc1NS(C)(=O)=O 225438002 KGTIWPAQTMILTI-RPBOFIJWSA-N 564.645 4.597 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225471663 WTBCTZCRNPMXLF-RBJSKKJNSA-N 595.762 4.930 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 225565998 MVGPUMZRNNOGTL-BKMJKUGQSA-N 515.720 4.607 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 225579303 NNVKKCISDRUZSE-QHCPKHFHSA-N 539.673 4.580 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 225634315 UQUYXPDYGQWFPW-GBXCKJPGSA-N 536.138 4.952 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 225642613 CNBRBVNNRPRYCH-SSEXGKCCSA-N 579.763 4.634 0 40 KJAB COc1ccccc1N(CCCC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 225759031 OESQESBUMBMACU-PMERELPUSA-N 593.790 4.962 0 40 KJAB COc1ccc(N(CC(=O)N(C)Cc2ccccc2F)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl 226057237 OIJQSYUABHUMEN-UHFFFAOYSA-N 521.010 4.659 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)Cc2ccccc2)cc1Cl 226067975 TYFKNSJKXSNHCO-UHFFFAOYSA-N 577.099 4.614 0 40 KJAB Cc1c(Cl)cccc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 260779588 ZOXHHILPXHFLKH-HSZRJFAPSA-N 556.128 4.828 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c1 260828993 ZZUFCWWZZFKPLE-XMMPIXPASA-N 563.720 4.757 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1 260877872 HELOBZJXOVKDQK-QGZVFWFLSA-N 562.947 4.911 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)c2cccc(C)c2)cc1 260882284 IUCYACNIBVLQSB-AREMUKBSSA-N 549.737 4.731 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 260935362 IDTYDWDDGVJZNI-RPWUZVMVSA-N 551.709 4.531 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 261000012 PJLMLAAWFMAZET-GDLZYMKVSA-N 565.711 4.599 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 261041707 KSWCSXCCMVHEKH-FIPFOOKPSA-N 570.155 4.969 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3Cl)S(C)(=O)=O)cc2)c1 408546589 FMQZEAOETKWFPV-UHFFFAOYSA-N 556.493 4.816 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 408550397 GWZQDYSNDNQEBS-FYJGNVAPSA-N 562.019 4.554 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Br)c2)Cc2ccccc2)cc1C 408554072 YULUGRKYLUXOGM-UHFFFAOYSA-N 503.418 4.596 0 40 KJAB COc1cccc2cc(C(=O)Nc3ccc(Cl)cc3Cl)n(NC(=O)C(=O)Nc3ccc4c(c3)OCO4)c12 408603344 GMBUAENHLYGASY-UHFFFAOYSA-N 541.347 4.647 0 40 KJAB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)cc2)cc1 408640399 HWCPROVXCZHRGT-GFDXUBCRSA-N 631.106 4.709 0 40 KJAB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@H]4CC(=O)N(c5cccc(Cl)c5Cl)C4)cc3)C(=O)[C@H]2C1 408649748 AFNZEQCVGZIVPC-PDWMJMLSSA-N 515.393 4.878 0 40 KJAB O=C(Nc1ccccc1C(=O)NCc1ccco1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 408701763 FJJHCJBAUZLJMC-UHFFFAOYSA-N 516.019 4.680 0 40 KJAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)ccc4OC(C)=O)c(=O)n32)c1 408770336 WICZCZXWMJISSG-ZGOFBEGVSA-N 618.509 4.570 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3Cl)c(=O)n2[C@@H]1c1cccc(OC)c1OCC 408909419 UGDQVMWRASQRQF-OOIVEFLKSA-N 547.460 4.512 0 40 KJAB Cc1c(NC(=O)CSc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c(=O)n(-c2ccccc2)n1C 408978657 AFRNMZBSZYJGKO-WOJBJXKFSA-N 561.689 4.505 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)C1=O)Nc1ccc2c(c1)OCCO2 409199796 KBFNZALDWGDKER-DJKKODMXSA-N 542.932 4.508 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1Br 409231272 JGVWZMVMCVCBDK-VCHYOVAHSA-N 628.295 4.837 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nnc1-c1cc2cc(Br)ccc2o1 409361896 FLHZCUGTUJJUTC-UHFFFAOYSA-N 501.362 4.903 0 40 KJAB COc1cc([C@H](CC(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)c2oc(C)cc(=O)c2O)ccc1O 524731480 ZMMALYMQVLSYSR-RXVVDRJESA-N 505.571 4.670 0 40 KJAB biogenic CO[C@]1(COc2cccc(Cl)c2)COCCN(Cc2cccc(OCCCn3ccnc3C)c2)C1 585270308 BFUQZWGQNQZMTE-MHZLTWQESA-N 500.039 4.610 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3ccc4c(c3)CCC4)CCO2)C1=O 643556337 LARJJVBQAUTOBH-WJOKGBTCSA-N 504.671 4.821 0 40 KJAB COc1ccc(CNC(=O)[C@@H](c2ccc(OC)cc2)N(C(=O)[C@@H]2COc3ccccc3O2)c2ccccc2)cc1 898224 YHRSILMYCJXKRO-XZWHSSHBSA-N 538.600 4.935 0 40 KJAB COc1ccc(CN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 914941 LIFVUTUWRGKZOI-UHFFFAOYSA-N 504.608 4.747 0 40 KJAB COc1ccc(NC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 1327469 YFHCLSJGNPANHP-UHFFFAOYSA-N 517.582 4.839 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(C4CC4)c3C)c(=O)n2[C@H]1c1cccs1 2178227 WQZLYZMNEHFUPT-VFHYMGCCSA-N 529.687 4.750 0 40 KJAB O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)c1ccc(=O)n(Cc2ccccc2)n1 2650814 KDLUPTMDAGSYBX-UHFFFAOYSA-N 504.424 4.995 0 40 KJAB C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3270553 HSSYEPLGVNGYQI-LBPRGKRZSA-N 505.807 4.615 0 40 KJAB O=C(CNc1nc(CN2CCCCC2)nc2sc3c(c12)CCC3)Nc1ccccc1Br 3393597 BKPWBHANVBUFJS-UHFFFAOYSA-N 500.466 4.979 0 40 KJAB CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)O[C@H](C)C(=O)N1CCCc2ccccc21 3394578 JASYSVOJRABBAR-QRWLVFNGSA-N 509.455 4.756 0 40 KJAB COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)Nc2ccc(F)cc2F)n1 3655050 DCLDCBQXWICYGU-UHFFFAOYSA-N 515.460 4.642 0 40 KJAB COc1ccc(/C=C/C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCCc2nc3ccccc3[nH]2)cc1 9209630 KHZALRXXWQMZDL-PTWKWRTFSA-N 500.986 4.754 0 40 KJAB CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 12599888 MUSFMVJRFJHGCS-ZOHFHMECSA-N 511.553 4.551 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)N3CCN(c4cccc(Cl)c4)CC3)cc2c1 19941415 XUQKCKJVQNDADN-RUZDIDTESA-N 520.081 4.787 0 40 KJAB Cc1ccc(Nc2nc([C@@H](C)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc3ccccc23)cc1 22052424 CGXXIVTYCIZDSC-HXUWFJFHSA-N 505.619 4.888 0 40 KJAB CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1C(=O)N1CCCCC1 26116328 ABJOIOZVGFAYRP-UHFFFAOYSA-N 523.680 4.765 0 40 KJAB CC[C@H](c1nnnn1C1CCCC1)N(Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O 57640894 UERTWRVMGGGLMF-AREMUKBSSA-N 502.619 4.800 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 59651477 AVHADKJBMFJQNK-UHFFFAOYSA-N 536.606 4.708 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)c2ccccc2)cc1 59886805 RJDAEWRJZWUYTI-UHFFFAOYSA-N 565.673 4.638 0 40 KJAB O=C(NC[C@H]1CCCO1)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(F)cc3)N2C1=O 70699179 VEFYYPXFJHYIHC-NBYOPXRUSA-N 538.579 4.699 0 40 KJAB biogenic COc1ccccc1NC(=O)c1cn[nH]c1C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1 97977171 MTBXYJQXZPOLSG-UHFFFAOYSA-N 519.355 4.916 0 40 KJAB O=C(C[C@@H]1C(=O)N(c2ccc(F)cc2)C(=S)N1Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(F)cc1 97995458 CPKGLBKBDFLNAM-XMMPIXPASA-N 534.588 4.623 0 40 KJAB CCOc1ccccc1[C@@H](C(=O)NCc1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1 100363243 KDEJALVMIMQDCC-HKBQPEDESA-N 549.631 4.930 0 40 KJAB CC(C)C[C@@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 101499822 PDYKNSIXGVNDRH-CCPXWOOUSA-N 558.560 4.785 0 40 KJAB Cc1ccc(NC(=O)c2ccc(NC(=O)CN3C(=O)[C@H]4[C@@H]5C[C@H](C[C@@H]5c5ccccc5)[C@H]4C3=O)cc2)cc1C 102539518 JQZBOXFAHVEYOL-LIDOQRMKSA-N 521.617 4.919 0 40 KJAB COc1ccc(S(=O)(=O)c2c(Nc3cccc(OC)c3)sc(C(=O)c3ccc4c(c3)OCO4)c2N)cc1 102608246 OODNEVKMKZJPNG-UHFFFAOYSA-N 538.603 4.884 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OC)cc4C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 103584210 YXTUTJARTNEALX-GVMLUORFSA-N 577.058 4.807 0 40 KJAB COc1ccc(OCCN2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(CCOc4ccc(OC)cc4)C5=O)cc3C2=O)cc1 104825477 JIKBJKHZNVTLQI-UHFFFAOYSA-N 608.603 4.846 0 40 KJAB COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(Br)cc(C)c4OC)cc3n2)cc1 105306779 QETVFELNRRWVTQ-UHFFFAOYSA-N 540.443 4.944 0 40 KJAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)c1 112247043 PDUICXLKRNOVCQ-UHFFFAOYSA-N 523.394 4.623 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 112247625 ZAYRSUCSFVWEOG-NDEPHWFRSA-N 537.707 4.786 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 163667981 NPHIXEHKZPVNOD-JUTHHCEFSA-N 666.388 4.739 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 222450568 BHIABYIGSHQGKS-DEOSSOPVSA-N 522.111 4.527 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 222464764 XMSDYLUCBCCBQB-HHHXNRCGSA-N 581.735 4.540 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 222477294 WQQCUZQMROWIDD-QFIPXVFZSA-N 562.054 4.765 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 222713627 JBBDGYQMYNGFBI-DEOSSOPVSA-N 612.963 4.808 0 40 KJAB CC(C)OCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223039968 LGMFYOXPDLJONZ-YTTGMZPUSA-N 605.801 4.631 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223086769 QXAJEDLZWPIIGA-SSEXGKCCSA-N 555.700 4.658 0 40 KJAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1 223226059 HDLAFRMKNVOCMT-UHFFFAOYSA-N 529.427 4.855 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 223231151 BFHALCFOXFPGDT-LJQANCHMSA-N 542.529 4.873 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 223309317 JZBZHVFWUYBWPH-RUZDIDTESA-N 529.747 4.880 0 40 KJAB O=C(NCCOc1ccc2ccccc2c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 223611874 GDVUHQKBNQFQMS-UHFFFAOYSA-N 521.466 4.884 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 223784850 XWSFFGLLUFMNOI-DEOSSOPVSA-N 536.138 4.953 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 223992805 LJYHURIZRSWKFK-LJAQVGFWSA-N 549.737 4.742 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 224056065 SDDSOJNQAKMWFR-QFIPXVFZSA-N 539.673 4.661 0 40 KJAB CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 224096173 LUBRNZHURGBTFY-DEOSSOPVSA-N 595.737 4.938 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 224357683 YXWKWEJMWMAZCQ-VWLOTQADSA-N 590.515 4.727 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 224392483 SYXURPZBDKBYGP-RUZDIDTESA-N 582.138 4.900 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 224562907 XPPUEBIZWQFZMD-MUUNZHRXSA-N 565.736 4.759 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 224709218 DAWXZMJFBXWTOX-QFIPXVFZSA-N 586.552 4.895 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 224808298 NCJMHONGYXNWOU-FQEVSTJZSA-N 552.112 4.892 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1Cl 224940747 OFHCGIMBURABQJ-MHZLTWQESA-N 574.118 4.718 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 224952685 VILXAZDCHNEOIW-LJAQVGFWSA-N 567.727 4.845 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 225045998 STPHKPPMUJFTBV-MHZLTWQESA-N 527.731 4.634 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 225135877 RCYMPCCCJYNKRO-GOSISDBHSA-N 584.964 4.735 0 40 KJAB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3cccnc3)c2C)ccc1NS(C)(=O)=O 225418059 WVJUWMRUPQAOQT-SVBPBHIXSA-N 562.721 4.500 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 225497669 NVBYDPOYSONCBJ-GDLZYMKVSA-N 567.727 4.765 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2cccc3cccc1c23 225608149 OPWVDBDHOUWBGY-AREMUKBSSA-N 512.009 4.840 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 225765387 DFMNVSNJQSIPOM-NDEPHWFRSA-N 570.155 4.827 0 40 KJAB CN(C(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 226038823 FFZYYJUSCUJZOE-UHFFFAOYSA-N 507.837 4.956 0 40 KJAB O=C1[C@@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]2[C@@H]2[C@H](c3cccnc3)c3sc(=O)[nH]c3S[C@H]12 239425745 VEJCLUFPDMSGFZ-ZXVGSPHGSA-N 529.565 4.528 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 260762054 DYDRICWUUJTFGZ-JOCHJYFZSA-N 675.589 4.971 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1OC 260863279 BOUFCRYFFIOPDP-JOCHJYFZSA-N 602.153 4.742 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccccc1C)[C@H](CC)C(=O)NCC(C)C)S(C)(=O)=O 260896346 MUYBVJWGMHZMJY-RUZDIDTESA-N 545.746 4.520 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 260956610 WGBBMRSHZCCFFO-MUUNZHRXSA-N 600.181 4.835 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 260984042 ORLDQPWGQWXSLM-AMGIVPHBSA-N 569.699 4.752 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 261011148 UHSRVLOAURNHBT-PMACEKPBSA-N 522.111 4.561 0 40 KJAB CC[C@H](C)NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)cc2C)cc2cc(Cl)ccc21 408580067 PUZXYRUAWICFIG-ZDUSSCGKSA-N 505.800 4.603 0 40 KJAB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccco4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408641414 KMCWBBXMIKXORN-ZQMYSKGWSA-N 548.979 4.814 0 40 KJAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Oc4ccc(C)c(C)c4)cc3)C2)c1 408653331 FGNKFXQNHLBQIF-JOCHJYFZSA-N 500.551 4.833 0 40 KJAB Cc1cccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c1 408686440 NCTISUAZTXHTBZ-FYZCMOJQSA-N 536.628 4.784 0 40 KJAB Cc1c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)ccc(Br)c1Cl 408687341 UOGVOFYRSPFXFH-FJAKRLOMSA-N 545.817 4.742 0 40 KJAB COc1ccc(NC(=O)COC(=O)CCCCCN2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c(OC)c1 408687908 VTOQFUGOCFAPAZ-LYBMHKGZSA-N 582.653 4.638 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c2ccc(C)cc2)cc1OC 408926181 PWNKXSIHBVRUEP-UHFFFAOYSA-N 613.689 4.786 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2cc(Br)c(Br)o2)C1=O)Nc1ccc(F)cc1 408950033 DDZATQHDVGBMOB-SDQBBNPISA-N 504.131 4.619 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3ccccc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409034045 GXPZQQITCXKPSH-PQNXSAFSSA-N 677.175 4.981 0 40 KJAB COc1cc(C2=N/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)C(=O)O2)ccc1OC(C)=O 409196112 XCGCXBWWKCHECF-NDENLUEZSA-N 521.909 4.846 0 40 KJAB O=C(Cn1cc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 409217390 CGLVATGUODUKFI-ZRGSRPPYSA-N 539.569 4.928 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 409251617 VAAIYUJKQSLSIP-HYARGMPZSA-N 597.409 4.800 0 40 KJAB CN1C(=O)C(=C(Nc2ccc(F)cc2)SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C(=O)N(C)C1=O 409379173 VHRLMOZJEPVPNP-UHFFFAOYSA-N 544.914 4.544 0 40 KJAB Cc1onc(C(C)C)c1C(=O)N(C)CCCC[C@H]1C(=O)N(C)CCCCCOc2ccccc2C(=O)N1C 643559753 KLXSLWMFWPNERE-QHCPKHFHSA-N 526.678 4.511 0 40 KJAB COc1cccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2cccc(C)c2)c1 1372600 DDCSCWJZAOCEIY-PMERELPUSA-N 519.605 4.839 0 40 KJAB CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cccnc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 1375282 NDYZLQVBDGYXKK-MUUNZHRXSA-N 523.641 4.737 0 40 KJAB CCCOC(=O)c1c(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)sc(C(N)=O)c1C 2806213 GTUOMYDUABIROL-UHFFFAOYSA-N 544.602 4.990 0 40 KJAB CCCCCn1c(SCC(=O)c2ccc(Br)cc2)nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c1=O 4177745 YWCDLPCSAJKRLV-UHFFFAOYSA-N 599.551 4.662 0 40 KJAB COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC(c1ccccc1)=C2c1ccccc1 8452914 ODWKGJUIMXZGEA-UHFFFAOYSA-N 570.666 4.636 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 9233587 HLQNBZFYEPXEHO-LSHDLFTRSA-N 513.612 4.805 0 40 KJAB COc1ccc(OCCCOc2c(Cl)cc(/C=c3\sc4nc5ccccc5n4c3=O)cc2OC)cc1 9462935 VLUCMXPUODFGGV-JLPGSUDCSA-N 523.010 4.975 0 40 KJAB Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4c3ccc(Oc4ccccc4)cc3)n(C)c2=O)c1 10252512 FKAGPVJWFHANQO-NRFANRHFSA-N 507.594 4.834 0 40 KJAB COc1ccc(CCN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(=O)Nc2ccccc2)cc1OC 12711010 SWWVVQVPQZDRHB-UHFFFAOYSA-N 501.539 4.551 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1 12713830 VFPITIPICXBNGU-VWLOTQADSA-N 505.644 4.576 0 40 KJAB CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3ccc(OC)cc3)CC(=O)N21 12864651 GFVFCIZHEZTQNV-FREGXXQWSA-N 509.606 4.503 0 40 KJAB biogenic Cc1ccc(Cn2c3ccccc3n3c(SCC(=O)Nc4ccc(N5CCOCC5)cc4)nnc23)cc1 13084152 PMCPNKNLVNVIRN-UHFFFAOYSA-N 512.639 4.608 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c1 13670039 YAENWSILLOGCDD-UHFFFAOYSA-N 517.003 4.668 0 40 KJAB COc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc(Nc4ccccc4C)c4ccccc4n3)CC2)cc1 22052579 YPLBTLBWGCEZEL-OAQYLSRUSA-N 517.655 4.758 0 40 KJAB Cc1ccc(CSc2nc3cc(C(=O)NCCCN4CCOCC4)ccc3c(=O)n2-c2ccc(F)cc2)cc1 28641563 VPUWHGULVDICSM-UHFFFAOYSA-N 546.668 4.578 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccc(OC)c(OC)c3)cc2)c1 59923730 WBYVLQPSMGTYDR-MRXNPFEDSA-N 532.640 4.641 0 40 KJAB CN(C)S(=O)(=O)c1cccc(COC(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2ccccc2)c1 89322698 IPMDTFTYBMEDIL-WUKNDPDISA-N 501.608 4.605 0 40 KJAB COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc12 96113810 TYNYCSOSLCJTDP-LJQANCHMSA-N 506.507 4.592 0 40 KJAB biogenic CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)o2)cc(OCC)c1OCC 97963846 BMTNLDJHVMANPA-UHFFFAOYSA-N 558.657 4.750 0 40 KJAB COc1cc([C@@H]2N3CCc4ccccc4[C@@H]3CN2S(=O)(=O)c2ccccc2)ccc1OS(=O)(=O)c1ccccc1 98044639 IALLZRSALOKYRV-BHBYDHKZSA-N 576.696 4.765 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccc(OC)c(OC)c2)cc1 98049254 WAGZHMDLKBKJQC-UHFFFAOYSA-N 547.633 4.564 0 40 KJAB COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cc2cccs2)c2ccc(-n3cnnn3)c(C)c2)c1OC 100333633 RMTHDZJUJJZETN-MUUNZHRXSA-N 574.707 4.815 0 40 KJAB CC1(C)Oc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1=O 100439627 FTEATGMEDDSMSD-UHFFFAOYSA-N 569.008 4.723 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 100604119 NYBOKZYYFXFYIT-KUSDHMTMSA-N 590.705 4.968 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(Br)cc2)cc1 101333649 UAOHUPLDQJJOKX-QFIPXVFZSA-N 536.382 4.622 0 40 KJAB C[C@H](Sc1nc2ccc(I)cc2c(=O)n1Cc1ccccc1)C(=O)N1CCCCC1 102650964 DLYMUZYAWOFTRI-INIZCTEOSA-N 533.435 4.543 0 40 KJAB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H](c6ccccc6)[C@@H](C5)[C@H]4C3=O)cc2)cc1 103106058 UZLGHXUKQFTMNQ-KELWNNIDSA-N 536.584 4.614 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 222408055 IQWWASJKYDUFDE-XMMPIXPASA-N 535.710 4.785 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 222856648 ZQJSGFBRBNEHIJ-GOSISDBHSA-N 542.529 4.872 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 223058191 IRTOIIGNARLFCJ-DEOSSOPVSA-N 553.700 4.971 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 223082911 XXTOUEGRWNXUGV-MUUNZHRXSA-N 570.155 4.514 0 40 KJAB O=C(NC[C@H]1CCCO1)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl 223173185 SMKOXUCOMDZBIM-RSXGOPAZSA-N 525.020 4.793 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223228378 QDKZGDHLXGDPGZ-MHZLTWQESA-N 535.710 4.912 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 223308194 OFHLFXIMGLBUOS-XMMPIXPASA-N 515.720 4.572 0 40 KJAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223545924 KQQPYVVRSWULIX-HXUWFJFHSA-N 556.556 4.916 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Br)cc1 223570297 YDKDCXIBPREHKB-JOCHJYFZSA-N 616.578 4.905 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 223655740 CZLVSVCDNISAOO-SANMLTNESA-N 606.572 4.853 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cccc(C)c2C)c2ccc(C)cc2)cc1Br 223913682 OWEAWHTUQFUYQT-UHFFFAOYSA-N 561.498 4.773 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O 223927796 PPTTUTXPDQVELN-FQEVSTJZSA-N 566.562 4.501 0 40 KJAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 224038796 ZWTNKWIGPWYHQF-NDEPHWFRSA-N 579.763 4.965 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 224091028 CRCVLBZAOYQVHM-GOSISDBHSA-N 574.065 4.643 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 224163151 APMYMOXSQGZCJA-NDEPHWFRSA-N 569.699 4.672 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 224513768 QSUBBGWEBNQTSB-QHCPKHFHSA-N 576.493 4.904 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(Cc4ccncc4)cc3)Oc3ccc(C)cc32)cc1 224517772 YULWTQQPGICLLQ-NDEPHWFRSA-N 529.618 4.584 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224549253 LVVYPLLHJCMBSA-GDLZYMKVSA-N 639.746 4.667 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 224637271 QIAGFBSCFSYDDC-JOCHJYFZSA-N 542.101 4.787 0 40 KJAB CS(=O)(=O)N(CCCC(=O)Nc1ccc2c3c(cccc13)CC2)c1ccc(I)cc1 224724451 XXPICKZFNAMHTC-UHFFFAOYSA-N 534.419 4.728 0 40 KJAB COc1ccc(Cl)cc1N(Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1)S(C)(=O)=O 224761412 QLTAJJLMRSHZBI-UHFFFAOYSA-N 507.439 4.941 0 40 KJAB CCCCc1ccc(N(Cc2ccc(C(=O)NCc3ccc(OC)c(OC)c3)cc2)S(C)(=O)=O)cc1 224885202 CPONVUNWVTYYMJ-UHFFFAOYSA-N 510.656 4.943 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Br)c(C)c1 224931983 REJUHOBXYCHLBY-HSZRJFAPSA-N 505.453 4.725 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 225056174 XUZMESKZSKSIBS-HHHXNRCGSA-N 623.578 4.910 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 225130218 VBCYSAOBMHKHKB-DEOSSOPVSA-N 536.138 4.837 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 225168157 IBWBKKAGZAYQQN-DEOSSOPVSA-N 534.122 4.671 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)cc1 225222342 KOZUUUQOBPSGIA-UIOOFZCWSA-N 501.587 4.773 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225257039 GCGXOCLULZTLOI-PMERELPUSA-N 579.738 4.989 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 225322602 IMUVSGXUIJKZHU-RTBURBONSA-N 542.529 4.708 0 40 KJAB Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1nnc(NC(=O)c3ccc(Cl)cc3Cl)s1)CC(C)(C)O2 225358968 UBLVWHGSUZCLBD-INIZCTEOSA-N 527.455 4.986 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 225391838 QSQVLGBDGMEWSP-HHHXNRCGSA-N 551.709 4.533 0 40 KJAB CCOc1ccc(N(CC(=O)NCCSC2CCCC2)S(=O)(=O)c2ccc(SC)cc2)cc1 225569837 GLMJKOLUDXOOAT-UHFFFAOYSA-N 508.731 4.795 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 225652351 AHQGDAZZVDGUSR-RBISFHTESA-N 569.699 4.752 0 40 KJAB COc1ccc(N(CC(=O)NCCCNc2ccnc3cc(Cl)ccc23)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 226012893 QEJDVZRLKBTMCM-UHFFFAOYSA-N 599.109 4.728 0 40 KJAB CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)COc2ccccc2F)CC[C@@H]1Oc1ccc(F)cc1 257203381 APTQWBNGNBPQMY-NVQXNPDNSA-N 508.565 4.688 0 40 KJAB COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@H](C(=O)NCc2ccccc2OC)c2ccccc2)cc1 260714311 CCCAMCXHADNYOB-XIFFEERXSA-N 615.752 4.552 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)c1 260772467 HDMDBPGVOORUOE-GOSISDBHSA-N 604.091 5.000 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1 260797742 NRNUZNIVLAVOBF-HSZRJFAPSA-N 579.719 4.730 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)[C@H](C)C(=O)NCC(C)C)cc1 260863435 BYPRASWZIXLDAJ-JOCHJYFZSA-N 602.153 4.742 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](CC)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 260947752 JLSNWDZTQUPWSY-HOYKHHGWSA-N 572.555 4.880 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c2ccccc2)cc1 261034527 XVEVRDJTVKFDGB-OAQYLSRUSA-N 572.127 4.876 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1C)S(C)(=O)=O 261072943 PZECXGAMIKIOQT-IRPSRAIASA-N 549.737 4.624 0 40 KJAB Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1 408573600 BXLSVBVOGVHMRL-LJQANCHMSA-N 526.420 4.989 0 40 KJAB Cc1cc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1Br 408582154 VQSUOBDWLMBBQU-UHFFFAOYSA-N 583.826 4.733 0 40 KJAB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 408651181 NEEKIGWXQFAXPR-GDIGMMSISA-N 503.382 4.806 0 40 KJAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC(C)C)c(OC)c4)c(=O)n32)c1 408786438 JZHAVVKWMWEXHL-USDTVRPUSA-N 569.683 4.678 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(Cl)cc1 408838225 SUMPOHBVPAIPSK-OLROSQPISA-N 629.838 4.682 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cccc2ccccc12 408919053 RZPFIHJBXAKDSC-LWUPDDLQSA-N 640.499 4.573 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3Cl)c(=O)n2[C@H]1c1cccc(Br)c1 408985414 LVSVIKVHVODEKI-OWMRDYPQSA-N 552.277 4.868 0 40 KJAB CCn1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c2ccccc21 409087304 SVDNPIGVRWOPPQ-NNAGEYCMSA-N 548.668 4.857 0 40 KJAB Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(I)cc2)cc1)S(C)(=O)=O 409116317 MFNGQMYUDOFIRO-UHFFFAOYSA-N 520.392 4.818 0 40 KJAB CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O 409176563 REMTTYPYUQOANY-RGVLZGJSSA-N 547.427 4.683 0 40 KJAB COC(=O)c1ccccc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)o1 409191369 WRDSFBPCVDICPV-SUAMDDGLSA-N 607.084 4.895 0 40 KJAB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(I)cc3)c(I)c2)C1=O 409232086 GXIMAIBMRPDFSI-GZTJUZNOSA-N 588.183 4.778 0 40 KJAB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409246266 AAHLKIBJXMSLRU-LPYMAVHISA-N 597.409 4.719 0 40 KJAB CCn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl 409348909 PWSWRWJXUPUOFT-HXUWFJFHSA-N 530.050 4.898 0 40 KJAB CCOc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O 604404825 SOGHWCSKFCDMNE-NFBKMPQASA-N 532.593 4.964 0 40 KJAB biogenic COC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1OCCOc1ccccc1N(CC(=O)OC)C(=O)OC(C)(C)C 642881911 DFLJSCCWYJNQSV-UHFFFAOYSA-N 588.654 4.973 0 40 KJAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(NC(=O)c4ccccc4OC)cc3)n2C)cc1 680501 KVHXJMNKSDPBMP-UHFFFAOYSA-N 517.611 4.873 0 40 KJAB COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)[C@@H]2COc3ccccc3O2)cc1OC 930860 VXLYBHOQAAPAEN-WUFINQPMSA-N 534.609 4.656 0 40 KJAB COc1cc(OC)cc(N(C(=O)[C@H]2COc3ccccc3O2)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c1 930898 FBHCUXILRORYPG-WDYNHAJCSA-N 546.620 4.773 0 40 KJAB COc1ccc(NC(=O)[C@@H]([C@H]2CC=CCC2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 1418949 XMYCTUZDADCVKM-MUAVYFROSA-N 509.610 4.832 0 40 KJAB COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C(C)=O)c4nc5ccc(N)cc5s4)cc3n2)cc1 1516040 QCHFRGQSFWBOEJ-UHFFFAOYSA-N 526.500 4.809 0 40 KJAB CCOc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4cccs4)CC(=O)N32)cc1OC 2123795 PMLODNPASOHWJZ-CUNXSJBXSA-N 501.608 4.522 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4ccccc4Cl)cc3)c(=O)n2[C@H]1c1ccccc1 2148336 SYYWXIXEXMVQQW-FCYPAOMHSA-N 559.043 4.671 0 40 KJAB Nc1c(C(=O)NCc2ccc3c(c2)OCO3)c2nc3ccccc3nc2n1-c1ccc(C(F)(F)F)cc1 2424157 YHSJYPAAYIRKSQ-UHFFFAOYSA-N 505.456 4.833 0 40 KJAB C[C@H](OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)N1CCc2ccccc2C1 2628051 LTRLYLZLJKZFCD-VKXNWWILSA-N 535.600 4.840 0 40 KJAB CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccccc3OC)C(=O)N12)C(=O)Nc1cccc(C)c1 2968560 IXAMKZUWVUZKBW-AHWVRZQESA-N 569.687 4.819 0 40 KJAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3327494 GECCTHGKIJTGSV-UHFFFAOYSA-N 530.886 4.993 0 40 KJAB COc1cc(NC(=O)N[C@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5ccc(-c6ccccc6)cc5)n4)CO[C@H]23)cc(OC)c1 8299962 BZCQCZRJTADRCL-QUAHOIDUSA-N 553.619 4.596 0 40 KJAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 8443652 KUXINJBPXBSCPH-MFISQUFLSA-N 594.645 4.918 0 40 KJAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)/C=C/c2cccc(OC)c2OC)cc1 12312304 VOESTTDWYOTQCX-YGMDYZATSA-N 500.551 4.647 0 40 KJAB 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COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(SC)cc4)c(=O)n32)cc1 409083429 VIQMYTQLHYGANY-OGRZUZBBSA-N 527.671 4.604 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409084445 PJLYORWSUHQQSI-YLVTVWEBSA-N 591.911 4.622 0 40 KJAB O=C1Nc2ccccc2S/C1=C\c1cc(I)c(O)c(I)c1 409086406 DPZUQXAUWYIWDX-QPEQYQDCSA-N 521.117 4.687 0 40 KJAB CCCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(-c5ccccc5C(=O)O)o4)c(=O)n32)cc1OC 409165515 YYLNSAIPQYNUIZ-NNAGEYCMSA-N 616.692 4.944 0 40 KJAB CCc1cccc(CC)c1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 409390935 WLMZRVORVUEOGP-UHFFFAOYSA-N 510.656 4.701 0 40 KJAB COc1cccc(CCc2nc(N3CCc4ccccc4C3)ncc2C(=O)N(CCc2ccccc2)CC(=O)O)c1 585268126 WILFYUSAFPIMQI-UHFFFAOYSA-N 550.659 4.603 0 40 KJAB CC(C)CN1CCCN(C(=O)Cc2cccnc2)Cc2cc(F)ccc2N(C(=O)c2cccnc2)CCC1 643572162 AQEMVMCLDUJUQJ-UHFFFAOYSA-N 517.649 4.586 0 40 KJAB CCN1CCCCCCCN(C(=O)CN2CCN(C(C)C)CC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582882 DTEOWBOPPQAQMV-PXJZQJOASA-N 526.766 4.657 0 40 KJAB CC1(C)CCCN(CC(=O)NCCc2ccc3c(c2)OCO3)Cc2cccnc2Oc2ccccc2OC1 1615140185 DJDJNXKDMHNSSI-UHFFFAOYSA-N 517.626 4.962 0 40 KJAB COc1ccc(-c2cc(=O)c3ccc(OC(=O)COCCOC(=O)COCCOCCOCC(=O)OCCOCC(=O)Oc4ccc5c(=O)c(-c6ccc(OC)cc6)coc5c4)cc3o2)cc1 2061000359 RMCIRHUAGVTJBI-UHFFFAOYSA-N 926.877 4.931 0 40 KJAB CC(=O)Nc1ccc(N(C(=O)[C@@H]2COc3ccccc3O2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1 930917 MKWJZUWTQKYQSD-URLMMPGGSA-N 543.620 4.714 0 40 KJAB CC[C@H](c1nnnn1Cc1ccccc1)N(CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O 1374443 NDIJQEIKSJCDFC-MUUNZHRXSA-N 508.626 4.768 0 40 KJAB COc1ccccc1NC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CO[C@H](C(C)C)C4 1869609 YPWKLHDTMVEJBR-NRFANRHFSA-N 561.689 4.932 0 40 KJAB Cc1ccc(S(=O)(=O)NCCCCCC(=O)Oc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1 1900158 ZIZFCPKSGQPCEM-UHFFFAOYSA-N 521.591 4.918 0 40 KJAB biogenic COc1ccc(CCn2c(SCC(=O)c3ccc(F)cc3)nc3ccc(N4CCOCC4)cc3c2=O)cc1OC 2976367 GDINMRQZSOBHNJ-UHFFFAOYSA-N 563.651 4.607 0 40 KJAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(-c3ccc4c(c3)OCO4)o2)sc2c1CCCC2 3344688 ABPSUDCHBISVEE-LBPRGKRZSA-N 501.586 4.702 0 40 KJAB Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc12 6244768 LAPRPEXVFDWSIF-DEOSSOPVSA-N 539.606 4.817 0 40 KJAB CCCC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 8432607 YAGHYOBBZABUMG-ALKDMIANSA-N 522.601 4.863 0 40 KJAB COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 9111196 WDKOIKGDAKLJBU-KFZSMJGVSA-N 508.574 4.656 0 40 KJAB CCOc1ccc(C(=O)Nc2cc(-c3nn4c(CC)nnc4s3)ccc2OC)cc1Br 10010236 KDAQGLVHSJNETN-UHFFFAOYSA-N 502.394 4.837 0 40 KJAB C[C@H](NC(=O)COC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccccc1 12311642 NOMHRYHCZOWTTP-KRWDZBQOSA-N 500.473 4.757 0 40 KJAB CC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)CNC(=O)c1cccs1)c1ccc(F)c(Cl)c1 12490455 HFZOLSQOMLIMDE-QFIPXVFZSA-N 502.011 4.960 0 40 KJAB CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2cccs2)cc1 13031706 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CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)o2)cc(OCC)c1OCC 97963840 LVCMYRNJIUWTQS-RTBURBONSA-N 572.684 4.852 0 40 KJAB O=C(CCCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2ccccc2c1=O)NCc1ccco1 98049259 BFVIXUQRLDLFET-UHFFFAOYSA-N 544.555 4.836 0 40 KJAB COc1ccc(OC)c([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2C)c1 100365295 VKVHIGQJDODWTE-SSEXGKCCSA-N 541.652 4.899 0 40 KJAB Cc1cccc(C)c1N1C(=O)[C@@H]2[C@@H](N=NN2CC(=O)N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccccc2)C1=O 101070440 MKGINFLQCADYOG-RELGLDOUSA-N 585.462 4.737 0 40 KJAB CCCCNC(=O)CC[C@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3cccc(OC)c3)N2C1=O 102737498 NYCVHNQSVPGSQA-DHIUTWEWSA-N 535.670 4.501 0 40 KJAB C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 103085109 KUVVLNXWBRRWMZ-CIJMEZBMSA-N 527.602 4.553 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 105524294 VIMNNNFMDFEOFW-UHFFFAOYSA-N 525.410 4.853 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 112247631 BHQJJKVBYIZFBZ-UHFFFAOYSA-N 570.520 4.858 0 40 KJAB COc1cccc([C@@H]2C3=C(N=c4s/c(=C\c5cccc(I)c5)c(=O)n42)c2ccccc2CC3)c1 167093897 BKMWLZGGPZNDSA-LMSRTUJASA-N 576.459 4.932 0 40 KJAB CCOc1ccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1OC 216299095 WXRYEFYVTGBHIX-UHFFFAOYSA-N 503.020 4.911 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 222410759 OLXKNHUZVNRYPA-JOCHJYFZSA-N 542.101 4.624 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 222721097 XMSVEGKJODJPIW-NRFANRHFSA-N 548.920 4.745 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 222923193 SHENXJGNUNOBQT-HHHXNRCGSA-N 556.128 4.910 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 222928773 DNLMWYNADKTIGN-FQEVSTJZSA-N 568.692 4.673 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 222977883 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CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 224978690 FQURNRGREJQGIF-JWQCQUIFSA-N 535.710 4.831 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 225174377 GMZWVAFQUPOEBZ-DEOSSOPVSA-N 538.085 4.501 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)cc1Cl 225238994 UTPWADVZCZLUOD-LOSJGSFVSA-N 522.030 4.940 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 225344014 YYIXJDXVABXTFA-NRFANRHFSA-N 593.371 4.856 0 40 KJAB Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1 225389510 ZLSGHXJRZHRTDW-JWQCQUIFSA-N 503.653 4.729 0 40 KJAB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)ccc1NS(C)(=O)=O 225432969 RYYMLTIINLPTNS-FTJBHMTQSA-N 533.679 4.738 0 40 KJAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 225435848 MOTLQWBFPCEOTL-NDEPHWFRSA-N 551.709 4.621 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 225471138 HSQKYJJXZWFASG-MHZLTWQESA-N 574.118 4.802 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 225628921 GWTDMUILAQAMBN-SSEXGKCCSA-N 606.144 4.930 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1cc(OC)cc(OC)c1 225651286 BBDYKHQBZLLDFY-LJAQVGFWSA-N 534.653 4.648 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(Br)cs1 225659997 KWVOHJKNOHKLDZ-NHCUHLMSSA-N 517.474 4.916 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 225744195 ZAGSJKLGGSFBQL-VGOFRKELSA-N 568.523 4.640 0 40 KJAB CCOC(=O)C1(c2ccc(NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(OC)c(Cl)c3)cc2)CC1 226052681 KFGPJOLIAOSKOF-UHFFFAOYSA-N 571.095 4.815 0 40 KJAB CNc1nc(-c2ccc(OC)c(NC(=O)COc3ccc(S(=O)(=O)Nc4ccccc4)cc3C)c2)cs1 226055705 ZQNRGPUKZQGCBZ-UHFFFAOYSA-N 538.651 4.987 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1 260748723 CBQYOZMZVNHERT-RUZDIDTESA-N 547.721 4.975 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 260828972 ZVIZVONAMHYOPT-JOCHJYFZSA-N 675.589 4.971 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 260869466 ASWKDHJPVJOGKW-MBSDFSHPSA-N 600.565 4.990 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)cc1 260921313 TYTXOLMHHCGPEF-RUZDIDTESA-N 565.736 4.697 0 40 KJAB Cc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 260929197 KBPOHFXCJQPTKV-MUUNZHRXSA-N 588.145 4.966 0 40 KJAB CC[C@H](NC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)c1ccc2c(c1)CCCC2 260932879 NGHRSWBQMVTMIR-LBNVMWSVSA-N 504.652 4.930 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 260933362 HWXBCHXPRUWADL-OALUTQOASA-N 542.529 4.726 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 261075727 QMNLZBXEJPHBSB-YADHBBJMSA-N 646.604 4.994 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2ccccc2I)C1=O)Nc1ccc(Br)cc1 408550050 DBWQUNUUOWXARH-DHDCSXOGSA-N 543.180 4.729 0 40 KJAB COC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(Cl)cc3Cl)c2)cc(C(=O)OC)c1 408586552 OZQBNFGPXTZHQZ-UHFFFAOYSA-N 567.403 4.628 0 40 KJAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1OC 408630937 YGDOKVBRDBRUDN-UHFFFAOYSA-N 587.698 4.819 0 40 KJAB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c(C)c1 408649399 DGZCZTCTHIWQLU-SIQOOTDXSA-N 505.401 4.835 0 40 KJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408681969 JXFKFDYWZXXLOO-ZYNNUQKQSA-N 545.817 4.742 0 40 KJAB CCOc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)cc1 408682449 GJKXBJUGWJZQMZ-ICDZXHCJSA-N 526.589 4.954 0 40 KJAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C[C@H]5c5ccccc5)[C@H]4C3=O)c2)cc1 408687905 POCWWRRTRUEXMI-KAKVGEDNSA-N 508.574 4.720 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCCC4)ccc3C)cc2)c(OC)c1 408703608 UPVBXAMYTDPVFA-UHFFFAOYSA-N 587.720 4.630 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(C)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 408773162 TVIRUOAPUSHKLR-OLIAQGHGSA-N 526.683 4.966 0 40 KJAB COc1ccc(CCNC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)O)cc3s2)cc1OC 408980968 GXJKSCHMDMUXTJ-UHFFFAOYSA-N 551.646 4.715 0 40 KJAB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2cc(C)ccc2C)N[C@H]1c1cc(OC)c(OC)c(OC)c1 408990927 PAWOSTMSONMNIU-DEOSSOPVSA-N 527.643 4.539 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cn(CC)c5ccccc45)c(=O)n32)cc1 409042995 YTSMDJIWFMYPCV-QTTRZTASSA-N 529.662 4.560 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(I)c1OC 409239981 PCBHQIXPXCYFOQ-CXUHLZMHSA-N 558.781 4.637 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@H](C)NC(=O)c1ccccc1Cl 409342637 GJKPQGZONNDZJV-ZDUSSCGKSA-N 522.856 4.936 0 40 KJAB CCOc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409385019 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Cc1cccc(-n2c(SCC(=O)Nc3ccccc3OC(F)F)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1 3222350 RHRKOSIENUEURX-UHFFFAOYSA-N 573.647 4.825 0 40 KJAB COc1ccc(C(=O)c2ccccc2)c(OCC(O)COc2cc(OC)ccc2C(=O)c2ccccc2)c1 3394796 YKYROFHCAIMLNR-UHFFFAOYSA-N 512.558 4.985 0 40 KJAB CN(C)c1ccc(NC(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 3766540 POZFGQQYRPXEKL-PMERELPUSA-N 546.627 4.691 0 40 KJAB Cc1cccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4nc5ccccc5s4)CC3)c(=O)[nH]c12 6443683 MQFVXGAALQPICL-SANMLTNESA-N 540.697 4.850 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OCC)cc2)c1C 10443196 IBQLJENIOHUPCW-UHFFFAOYSA-N 514.575 4.544 0 40 KJAB C[C@@]1(C2=NO[C@H](CNc3ncc(C(F)(F)F)cc3Cl)C2)NC(=O)N(c2ncc(C(F)(F)F)cc2Cl)N1 12856937 HNRFWQUBLBZFJG-DYZYQPBXSA-N 558.270 4.828 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(CCc2ccc(OC)c(OC)c2)C(=O)c2ccco2)cc1 13026476 STRVFDPMASMDGL-MHZLTWQESA-N 506.599 4.790 0 40 KJAB COc1cccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)c1OC 13031769 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O=C(COC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)Nc1ccc(Br)c(Cl)c1 408653577 IOJBLGDJYLTUPW-SNVBAGLBSA-N 520.594 4.944 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408669247 XCIZSNLYAYYIJQ-SIQOOTDXSA-N 521.400 4.617 0 40 KJAB COc1ccccc1N1C(=O)c2ccc(C(=O)N3[C@H](C(=O)c4ccccc4)[C@H]3c3ccccc3)cc2C1=O 408682644 KZRVTQBFGQTDII-ZENVFQASSA-N 502.526 4.944 0 40 KJAB Cc1cc(NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)ccc1Br 408695759 YOBSHLBFIKXLHV-UHFFFAOYSA-N 503.821 4.731 0 40 KJAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4c(O)ccc5ccccc45)c(=O)n32)c1 408769482 MTPKYGLJYMBMKN-LAUBZIAYSA-N 547.636 4.741 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 408831304 PWBSSBITWYGXQK-SZYVSPPHSA-N 693.572 4.855 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1cccc(OC)c1 409000998 OIPIYJZDYKKYOY-GLSAMTQTSA-N 764.379 4.859 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2C)c2ccc(Cl)cc2)cc1 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COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)C2=O)o1 409406790 CQAXRVCOVSAIFL-WOJGMQOQSA-N 559.756 4.794 0 40 KJAB Cn1ccc2cc(NC(=O)C3(N(Cc4ccco4)C(=O)CN4C(=O)c5ccccc5C4=O)CCCCC3)ccc21 575443275 SHIMKHXVDPAHLP-UHFFFAOYSA-N 538.604 4.738 0 40 KJAB Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCC(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 618256673 LIJTVVJNLZTOCV-UHFFFAOYSA-N 597.107 4.591 0 40 KJAB COc1ccccc1CCC(=O)N1CCC2(CCCCc3ccccc3OCCN(C(=O)c3cnccn3)C2)CC1 643574293 NZKBCAVYCYNQDN-UHFFFAOYSA-N 556.707 4.974 0 40 KJAB COc1ccc(C(=O)COC(=O)[C@@H](C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 991765 PLPULROCYHELES-MRVPVSSYSA-N 505.137 4.719 0 40 KJAB CCCOC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(=O)n3c2C(=O)Nc2ccccc2OCC)cc1 1786049 AJZGXHHESHBUAZ-UHFFFAOYSA-N 534.594 4.535 0 40 KJAB COc1cccc(N2CCN(C(=O)c3cnn4c3N[C@H](c3ccc(OC)c(OC)c3)C[C@H]4C(F)(F)F)CC2)c1 3012446 CPLPBMWFUCZRRS-URXFXBBRSA-N 545.562 4.532 0 40 KJAB COC(=O)c1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C(C)C)cc2)cc1 3270035 VWKYBAREKYCYHN-UHFFFAOYSA-N 501.608 4.704 0 40 KJAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1 3285667 UFLGDUJYLOXGQE-UHFFFAOYSA-N 508.379 4.867 0 40 KJAB CCc1ccc2[nH]c(=O)c(CN(CCCN(CC)CC)C(=S)Nc3ccccc3C(=O)OC)cc2c1 6135029 GJMKHMRBPNMIKC-UHFFFAOYSA-N 508.688 4.808 0 40 KJAB COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N(CCc1ccccc1)Cc1ccc(F)cc1 6321286 ZJNNTHZYCGNOCR-GDLZYMKVSA-N 540.643 4.751 0 40 KJAB Cc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccccc2Br)o1 8614105 OVNZSNBELYYVFI-UHFFFAOYSA-N 545.415 4.596 0 40 KJAB aggregator COc1ccc(NC(=O)[C@@H](c2cc(OC)c(OC)c(OC)c2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 8713102 OQTYEJNTIVGDRW-WJOKGBTCSA-N 595.656 4.875 0 40 KJAB O=S(=O)(c1ccc(Br)cc1)c1nnn2c1nc(NCCc1ccccc1)c1ccccc12 9830029 AFEOZHSPNRKXBS-UHFFFAOYSA-N 508.401 4.527 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21 13024494 XXYNHOZGLQGEBN-NDEPHWFRSA-N 529.641 4.523 0 40 KJAB CCOc1ccc(C(=O)CSc2nnc(-c3ccccn3)c(-c3ccccn3)n2)cc1NC(=O)CC 13566518 PVRVVMGIEMSKQP-UHFFFAOYSA-N 500.584 4.718 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1ccc(SC)cc1 58827328 GAIVVJTWYWWSJS-OFVJEAJMSA-N 518.685 4.719 0 40 KJAB Cc1ccc(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)ccc2Cl)c(C)c1 59671353 DBOOBVRFRXEQJM-HKUYNNGSSA-N 532.009 4.689 0 40 KJAB CCCCN(CCCC)CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(C(=O)OC)cc2)C1=O 70699852 SUQHXKMDSNDPML-QCENPCRXSA-N 558.723 4.932 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 97968625 VRQZNFIWLWGVPJ-RGDUZTMSSA-N 594.645 4.918 0 40 KJAB CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(Br)cc1[C@@H](NCC(=O)OC)c1ccccc1 97997863 PGEDUGADHPVZOB-BVAGGSTKSA-N 568.468 4.945 0 40 KJAB biogenic CCCOc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 98046729 NEYXMJATAXDYRF-XMMPIXPASA-N 541.442 4.612 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)c(OC)c1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 100356036 SDMGQRQJXXDVFD-MUUNZHRXSA-N 547.631 4.663 0 40 KJAB COc1ccc2c(Cl)c(C(=O)OCC(=O)Nc3cc4[nH]c(=O)[nH]c4cc3Br)sc2c1Cl 102907817 JEQUOIFCYVNUJQ-UHFFFAOYSA-N 545.198 4.944 0 40 KJAB COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccc(Cl)cc3)c2)cc1Cl 103088759 XNMVPISYGUZYAJ-UHFFFAOYSA-N 538.405 4.875 0 40 KJAB CCN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)C[C@@H](C)C2)[C@H]1CCS(=O)(=O)C1 103135577 VWJLEGWEWJTIFP-WHGHPFQDSA-N 532.662 4.550 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(CN3CCCCC3)cc2)c2ccc(C)cc2)cc1OC 139874559 JLVYIVRPCCSOKR-UHFFFAOYSA-N 551.709 4.510 0 40 KJAB O=C(NC(=S)Nc1c(I)cc(I)cc1C(=O)O)c1cc(I)ccc1I 150342352 HCALBJSGBOEISE-UHFFFAOYSA-N 803.923 4.930 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 215951601 IFVNONZVYOMYBC-UHFFFAOYSA-N 585.748 4.746 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN1C(=O)c2ccccc2C1=O 222742484 BXRRMQGYXKDSFD-MUUNZHRXSA-N 543.639 4.614 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 222767397 FNUFRHMSOVZKLQ-QFIPXVFZSA-N 569.699 4.670 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 222959409 KCRBVSFMZBBRSP-VWLOTQADSA-N 565.736 4.923 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 222997679 DCSQXQRUDJJRCD-JOCHJYFZSA-N 616.578 4.905 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 223046026 LSAOFINYGKOBKF-OAQYLSRUSA-N 602.551 4.515 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223068559 ZSDCJUZGNKEPKE-VWLOTQADSA-N 625.788 4.940 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 223154521 HGBZCNWPILILOZ-FGZHOGPDSA-N 616.578 4.985 0 40 KJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cc2Cl)N1CCCN1CCOCC1 223175588 ALDIJGCZZLVBEA-BJKOFHAPSA-N 516.498 4.874 0 40 KJAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 223472160 WGCXPCVJEPFSMC-SANMLTNESA-N 556.128 4.748 0 40 KJAB COc1ccccc1N(CC(=O)Nc1nnc(SCc2ccccc2)s1)S(=O)(=O)c1ccc(C)cc1 223545521 HMJLIJKTLHKGQU-UHFFFAOYSA-N 540.692 4.981 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223568027 PQNMAYQYJQODKG-KDYSTLNUSA-N 574.118 4.800 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 223970351 OWOKTWOUSFPNSV-SFHVURJKSA-N 572.953 4.592 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 224006876 NACDMLWHXVZDOJ-QHCPKHFHSA-N 592.080 4.857 0 40 KJAB COc1ccc(-c2nnc(NC(=O)[C@H](C)N(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)s2)cc1 224115829 FQJXDUTVHDYBRB-KRWDZBQOSA-N 524.624 4.799 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 224170097 IQPJHBYBFUNQHI-SANMLTNESA-N 576.546 4.926 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1OC 224249153 SMICXGSFVRMGLI-QFIPXVFZSA-N 602.153 4.742 0 40 KJAB 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CCCCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3ccc4ncccc4c3)CCO2)C1=O 643556254 KIZAGNQKEWGWPE-WJOKGBTCSA-N 515.654 4.880 0 40 KJAB C[C@H]1Oc2ccccc2CCCCC2(CCN(C(=O)c3nc4cc(Cl)ccc4n3C)CC2)CNC1=O 643561878 JUSWXILHKFKAPT-LJQANCHMSA-N 509.050 4.759 0 40 KJAB C[C@H](COc1ccc(F)cc1Oc1ccccc1)NC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1 643580124 KYBRHVIBQMFWQO-GWTOPCPNSA-N 696.776 4.659 0 40 KJAB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(NC(=O)c4ccccc4C)cc3)n2C)cc1 669541 VQKKUXFWSJPTJU-UHFFFAOYSA-N 515.595 4.560 0 40 KJAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(C(C)=O)c(C)n3S(=O)(=O)c2ccc(OCC)cc2)cc1 944054 DOTXJDQLFODLQN-UHFFFAOYSA-N 556.662 4.988 0 40 KJAB aggregator CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O 1374336 ARCFJHXMQIZOSD-MHZLTWQESA-N 536.636 4.948 0 40 KJAB CC(=O)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2ccc(NC(=O)Nc4ccc(Cl)cc4)c(=O)n2C3)cc1 4259104 MWOSTBDHGCMOHY-PKOBYXMFSA-N 519.989 5.000 0 40 KJAB biogenic,in-vitro 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CCCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 102573746 XRWJLJNUWHFRBB-TXLAZOFZSA-N 599.728 4.877 0 40 KJAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cc(S(=O)(=O)N4CCOCC4)ccc3C)n2-c2ccccc2)cc1 103126824 HBHREJZPYRWSJX-QFIPXVFZSA-N 577.732 4.691 0 40 KJAB CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)C[C@@H]2Sc3ccccc3NC2=O)sc2c1CCN(Cc1ccccc1)C2 103128101 VNBPJPZAUZBVHY-MBSDFSHPSA-N 593.727 4.856 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCCCC4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 103904000 ZKEIAFDBZNNHFO-QFVBLGFASA-N 602.576 4.866 0 40 KJAB COc1cc(NC(=S)NC(=O)c2cccc(I)c2)ccc1NC(=O)c1cccs1 105314803 LPXCHHKLQDOAEG-UHFFFAOYSA-N 537.404 4.740 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1O 150418062 GTNJSNPMTMASRQ-UMSFTDKQSA-N 674.824 4.790 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 222850920 OLWJOPCISGWBBP-HKBQPEDESA-N 603.716 4.724 0 40 KJAB O=C(NCc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223006123 XFZBYETYSDYCHT-MGBGTMOVSA-N 662.208 4.696 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223097402 HCACUZUAPDPFHM-DEOSSOPVSA-N 521.683 4.524 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223196279 ARHBLUJDAYWPOO-AREMUKBSSA-N 576.546 4.844 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223221751 KQFNBGHUASEHLL-IBGZPJMESA-N 572.555 4.882 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 223265587 ZLQRBCWZEQYWHK-RUZDIDTESA-N 596.508 4.890 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 223729926 WOJLOSGEGMLNDV-MUUNZHRXSA-N 593.746 4.685 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 223743264 PNMATAAWAMMWQZ-JGCGQSQUSA-N 659.805 4.992 0 40 KJAB Cc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)cc1 224080590 YEKJCPJMCFBJCK-VWLOTQADSA-N 547.721 4.709 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 224149756 UTJBUYOIDHEACO-MHZLTWQESA-N 565.736 4.759 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 224218166 SQZKXWINEBWKIT-NDEPHWFRSA-N 570.155 4.889 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224220130 ABNLEIKMOYIWAC-QHCPKHFHSA-N 541.636 4.504 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 224587050 DOLUINPUATWCEP-VWLOTQADSA-N 536.138 4.774 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 224708628 VPEXAJWUBZTTPU-JOCHJYFZSA-N 542.101 4.787 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225028643 KQKBTADWCGQWED-LOSJGSFVSA-N 595.762 4.848 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 225167751 IOPBFKCRMGUFBT-MHZLTWQESA-N 581.735 4.541 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 225214099 WABKJGHAFFRTAR-JOCHJYFZSA-N 616.578 4.987 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1)c1cc(Cl)cc(Cl)c1 225277497 YSSVVJBUGVKIKH-OAQYLSRUSA-N 521.422 4.529 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 225331002 FIYOWHNGAIHOPP-XMMPIXPASA-N 572.555 4.882 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC)c2ccccc2)cc1 225534599 MGFFWGZCHOMXGO-YTTGMZPUSA-N 599.753 4.975 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(=O)O)c1 225673044 TUBLNDAGJXMEKD-SXOMAYOGSA-N 541.633 4.580 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1OC 260707332 BOAUTRDTFWYLML-JOCHJYFZSA-N 602.153 4.803 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)[C@H](C)C(=O)NC(C)C 260771620 WPUKJHKNHKVWLC-JOCHJYFZSA-N 586.552 4.895 0 40 KJAB COc1cccc(CN(C(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 260844531 BXUMQPIGVMATGH-SSEXGKCCSA-N 579.763 4.715 0 40 KJAB Cc1c(Cl)cccc1N(CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 260864292 ACLIFAKGEWNBBS-HXUWFJFHSA-N 522.111 4.527 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1cccc(OC)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccc2c(c1)OCCO2 260907352 JRMAANLFBRREFM-WJOKGBTCSA-N 649.810 4.712 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)c1 260949513 FATXPCLGWWYSOL-SSEXGKCCSA-N 561.748 4.768 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 260981091 ODSYKXYCJVXBOJ-DQEYMECFSA-N 535.710 4.565 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC)S(C)(=O)=O 260998793 DTGCXGNYWIVYPM-BTYSJIOQSA-N 567.727 4.709 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 261002478 RYWOXUVOEWLDAU-AVRDEDQJSA-N 542.529 4.790 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 261033121 XPDDVMJBLBHMOJ-CVEARBPZSA-N 548.920 4.599 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl 261095898 VBMASVBIIMGGEU-QGZVFWFLSA-N 572.953 4.509 0 40 KJAB O=C(N[C@@H](Cc1ccc(O)cc1I)C(=O)O)OCC1c2ccccc2-c2ccccc21 299738098 UAVWFAFIRLEPJJ-QFIPXVFZSA-N 529.330 4.531 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc4c(cc3Cl)OCO4)c(=O)n2[C@H]1c1ccc(OCC)cc1 408907979 CXKRUKOJEPIYJL-FSFYKJEYSA-N 589.069 4.716 0 40 KJAB Cn1c(=O)c2c(-c3ccc(CCCCc4ccccc4)cc3)c3c(nc2n(C)c1=O)-c1ccccc1[C@@H]3O 408989301 TVXVTWPTHLHSNQ-LJAQVGFWSA-N 503.602 4.927 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OC 409008169 VSMIFCSDMYUWAB-UYRXBGFRSA-N 567.401 4.521 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)cc1 409146345 SLMRFHYDTJJIKD-UHFFFAOYSA-N 517.448 4.511 0 40 KJAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 409398508 BOLOEJFADAZKOT-JAIQZWGSSA-N 588.400 4.882 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(OCc4ccc(C(=O)O)cc4)c(I)c3)C2=O)o1 409403331 ZRGQWNZFATYQJY-GRSHGNNSSA-N 728.233 4.646 0 40 KJAB COc1cccc(CCc2nc(N3CCc4ccccc4C3)ncc2C(=O)N(CCCc2ccccc2)CC(=O)O)c1 585266601 FFWSBUBPTBXMPF-UHFFFAOYSA-N 564.686 4.993 0 40 KJAB COc1ccccc1C(=O)N1CCC[C@@](COc2cc(C)c(Cl)c(C)c2)(CC(=O)N2CCC(O)CC2)C1 585287507 NLNVJEWLOOSQFM-GDLZYMKVSA-N 529.077 4.640 0 40 KJAB CC(=O)N1CCCCCCCN(Cc2cccnc2)Cc2cc(C(=O)NCCS(=O)(=O)c3ccc(F)cc3)ccc21 643570669 HTHPMPSXODFEDW-UHFFFAOYSA-N 580.726 4.744 0 40 KJAB CCOC(=O)N1CCc2c(sc(NC(=O)c3cccc(F)c3)c2C(=O)Nc2cc(OC)ccc2OC)C1 644087 ZADDDLDGRAIKNJ-UHFFFAOYSA-N 527.574 4.924 0 40 KJAB Cc1cc(C)cc(N(C(=O)Cn2nnc(-c3ccccc3)n2)[C@@H](C(=O)NC2CCCCC2)c2ccccn2)c1 905801 GOLFYGPVXFMJQA-MUUNZHRXSA-N 523.641 4.575 0 40 KJAB Cc1cc(=O)n2c(C(=O)Nc3ccc(Br)cc3)c(C(=O)Nc3cccc(C)c3C)sc2n1 1320903 NUWCHVDIPZGFFJ-UHFFFAOYSA-N 511.401 4.948 0 40 KJAB CCCN(CCC)C(=O)CSc1nc2ccc(I)cc2c(=O)n1Cc1ccccc1 2223568 MMRTUXVTOGQFQD-UHFFFAOYSA-N 535.451 4.790 0 40 KJAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccc(F)cc1 2412651 HIWDNABESQCEPP-ZONZVBGPSA-N 544.560 4.645 0 40 KJAB CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3cccs3)C(=O)N12)C(=O)Nc1cccc(OC)c1 2967799 PBLNIJZZHQZBGL-GOTSBHOMSA-N 561.689 4.572 0 40 KJAB O=c1c2cc(N3CCCCC3)ccc2nc(SCc2cc(=O)n3ccccc3n2)n1Cc1ccccc1 2974109 HNMHQDQFEILJSD-UHFFFAOYSA-N 509.635 4.735 0 40 KJAB O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(OC(F)F)cc1 3331705 QMGFOLKTVITETA-UHFFFAOYSA-N 501.935 4.546 0 40 KJAB C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N(C)Cc1ccccc1 6141832 AMMTWHYXBFKFAB-QGZVFWFLSA-N 520.529 4.710 0 40 KJAB Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)[nH]c2c1 6282240 XWEKUCAZNGGLNB-RUZDIDTESA-N 537.590 4.869 0 40 KJAB CCCCCCNC(=O)[C@H](CCSC)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 8876259 YHMQTQSVEOMQTG-OHSXHVKISA-N 532.710 4.572 0 40 KJAB biogenic C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(Br)cccc4s3)cc2)C1 9599643 VNUPBZXYYAGKSY-ZIAGYGMSSA-N 508.463 4.978 0 40 KJAB Cc1cc(NC(=O)CSCC(=O)N(c2ccc(F)cc2)[C@H](C(=O)NC2CCCCC2)c2ccco2)no1 12475554 XSRSWLFSAXYHTL-VWLOTQADSA-N 528.606 4.610 0 40 KJAB CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)nc1-c1ccccc1 12700895 GNQQWODAOSKSKJ-QGZVFWFLSA-N 513.641 4.802 0 40 KJAB CCc1ccc([C@@H]2CN3C(=O)CN(Cc4ccc(OC)c(OC)c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 12873779 RYVPPLAEPUBCPZ-BNHRFMORSA-N 523.633 4.979 0 40 KJAB biogenic COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)c2cnsn2)cc1OC 13494391 WQSXPXNFWTZVTH-DEOSSOPVSA-N 512.607 4.527 0 40 KJAB Cn1nnnc1SCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 16363661 XWZOFZJLBIKUFN-UHFFFAOYSA-N 503.253 4.740 0 40 KJAB COC(=O)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 16742270 IUCKOXOFKPZHNF-RUZDIDTESA-N 517.509 4.524 0 40 KJAB CCc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4cc(Cl)ccc4OC)CC3)cc2)cc1 21579956 LJMZPOAKDPEADD-UHFFFAOYSA-N 508.018 4.891 0 40 KJAB O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(Cc2cnc(-c3ccccc3)s2)CC1 25777922 VANXFVVWJINEEP-UHFFFAOYSA-N 512.882 4.733 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(Cc3ccc(N4CCCC4=O)cc3)C2=S)cc1 33354973 FIKLYVGOKAUVSO-AREMUKBSSA-N 588.661 4.660 0 40 KJAB COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N4CCC(C(=O)O)CC4)C(=O)N32)cc1 38139978 XKOGKUUHPBUVBF-YTMVLYRLSA-N 578.625 4.596 0 40 KJAB biogenic COc1ccc(N(CC(=O)NCc2ccc(CN3CCCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 44873663 AGMDUHCHBQNZSZ-UHFFFAOYSA-N 521.683 4.501 0 40 KJAB CCC1=NN(c2ccccc2)C(=O)[C@H]1[C@]1([C@H]2C(=O)N(c3ccccc3)N=C2C)C(=O)N(c2ccccc2)N=C1C 59662972 SBEUYIHTWADGOD-UFRMOSHKSA-N 532.604 4.863 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 59852205 VBLDUEKBJMEBPH-UHFFFAOYSA-N 612.557 4.664 0 40 KJAB Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)nnn1CC(=O)Nc1ccc(Br)cc1F 67323243 LTGGTTGABUMKSU-UHFFFAOYSA-N 501.143 4.686 0 40 KJAB O=C(NC[C@@H]1CCCO1)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(F)cc3)N2C1=O 70699172 VEFYYPXFJHYIHC-GHKAFPQUSA-N 538.579 4.699 0 40 KJAB biogenic COc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3c(Cl)cc(C)cc32)[C@@]12C(=O)Nc1ccccc12 70700688 NPRFOQNNBLJIAN-SFYJVUIZSA-N 528.008 4.672 0 40 KJAB biogenic CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1cc(OC)cc(OC)c1 100356234 DAKGONSARDVUTK-HHHXNRCGSA-N 533.604 4.667 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(C)cc1)N(C(=O)CNC(=O)c1cccs1)c1ccc(NC(C)=O)cc1 100414704 ZAMLVFPXCAXBGT-AREMUKBSSA-N 534.682 4.824 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(C)cc1)N(C(=O)CNC(=O)c1cccs1)c1ccc(OC)cc1OC 100414772 LUPYZCJIQJXQHA-AREMUKBSSA-N 537.682 4.883 0 40 KJAB Cc1cc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C5CCCCC5)cc4)[C@H](C(=O)NC(C)(C)C)[C@@]34C=C[C@]2(C)O4)no1 100431683 YQVPVMDKMYDRSY-QKVBRLCESA-N 546.668 4.629 0 40 KJAB COCCn1/c(=N/C(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)sc2cc(Br)ccc21 100872564 AGJZUVZFVUAZEK-LCUIJRPUSA-N 560.495 4.962 0 40 KJAB CC(C)[C@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]21 101609277 YWZHRYBPRQRKJJ-NPJKBUODSA-N 526.596 4.530 0 40 KJAB COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H](c6ccccc6)[C@@H](C5)[C@H]4C3=O)cc2)cc1 102099151 CKHWKDKGOYDUIB-LQEOGBTJSA-N 509.558 4.664 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 103789916 HGCJZZPNZFSFJR-YMSBRDKKSA-N 585.520 4.701 0 40 KJAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cccc(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)c3)cc2)cc1 112169011 URRNXXITBICRSB-UIOOFZCWSA-N 523.541 4.710 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 222638835 XKUMJUGADHGONQ-IBGZPJMESA-N 548.492 4.660 0 40 KJAB CC(C)CSc1nnc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)s1 222849971 XNCGJAYOIDJUMT-GOSISDBHSA-N 525.077 4.535 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 222862646 LLXBCKUJMGXCSR-HKBQPEDESA-N 615.752 4.594 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 223002174 WBVIQRXYHFVSBU-RUZDIDTESA-N 565.736 4.923 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 223278152 FAIXMLBAWXKOES-WXVAWEFUSA-N 586.154 4.669 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 223299249 CYFZSLHSJXUMAA-IBGZPJMESA-N 542.529 4.710 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 223323198 XJMLGJUIQYLSGK-MRXNPFEDSA-N 548.920 4.601 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 223409457 GZRAGSNFXHVNCY-HXUWFJFHSA-N 571.571 4.557 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 223565994 UBTQVLLWTLMWEL-VWLOTQADSA-N 651.421 4.754 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 223700843 FRUGMIPCXJZEBD-AYWVHJORSA-N 597.753 4.935 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223938189 JWLFKTZZHANYBV-NRFANRHFSA-N 602.551 4.597 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 223951697 WLCQJYHDVUNVMW-SFHVURJKSA-N 540.513 4.544 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 224143782 QXHCBQCJSJUMKK-IBGZPJMESA-N 580.589 4.845 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl 224170772 APDSSSSXFAMCHY-MHZLTWQESA-N 570.155 4.969 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 224311392 UASNDGNICAVXMT-HHHXNRCGSA-N 618.569 4.829 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 224324867 FLYNKYQFCULEQO-LJAQVGFWSA-N 583.726 4.547 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1C 224329793 KULZXZIFYHCUDJ-IBGZPJMESA-N 542.529 4.566 0 40 KJAB O=C(Nc1nnc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)s1)c1ccccc1Cl 224345817 IUXIWURSVSJFAP-UHFFFAOYSA-N 554.097 4.540 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224362056 JCCDFIWXWCYMCV-DEOSSOPVSA-N 552.112 4.892 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 224590117 COGIIDXGTNMORC-MUUNZHRXSA-N 557.757 4.724 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 224657969 GBWRLPXYSQFSBU-GOSISDBHSA-N 574.065 4.991 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1)c1ccccc1C(F)(F)F 224785012 YQTYLTBVXJIFRQ-UHFFFAOYSA-N 510.509 4.620 0 40 KJAB Cc1cc(I)ccc1N(Cc1ccc(C(=O)NCC2CCCCC2)cc1)S(C)(=O)=O 224838442 GFFWUOOYOPBNDC-UHFFFAOYSA-N 540.467 4.876 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(OCC)cc1)S(C)(=O)=O 224942064 CEBUJPJTGKLJJE-IBGZPJMESA-N 572.555 4.882 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 225115214 JVXQXSQTNJTKFK-QFIPXVFZSA-N 562.054 4.767 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 225183055 BUDWWSTVJJPELS-WOJBJXKFSA-N 522.111 4.561 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 225214219 QSTGMWCEKHNXAN-DHIUTWEWSA-N 539.673 4.661 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 225270899 OHCZJONZJBCEHL-LJAQVGFWSA-N 549.737 4.626 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 225551710 FNZOSRMMSJMQST-WJOKGBTCSA-N 599.753 4.893 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 225553383 RUBUVSRUQLHWRZ-MHZLTWQESA-N 630.605 4.780 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 225561029 BZWFUCWJZKFEPG-WJOKGBTCSA-N 615.752 4.594 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 225574885 BJVUVXBLPZNSQG-WJOKGBTCSA-N 585.726 4.585 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 225642430 NDDPBQYPJHTHFQ-FQEVSTJZSA-N 620.555 4.902 0 40 KJAB Cc1ccccc1N(CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 225743817 BRCODXLFFNCOIX-PMERELPUSA-N 563.764 4.954 0 40 KJAB CNc1nc(-c2ccc(OC)c(NC(=O)COc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3C)c2)cs1 226054301 DNQXUEBQUOJEEF-UHFFFAOYSA-N 568.677 4.996 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260781941 IYOAUXATLCIAEA-XMMPIXPASA-N 527.731 4.716 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260907245 JGPQPSHDOJQYGN-OAQYLSRUSA-N 608.599 4.870 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 260997340 DPJRGBDWTCGBRH-AMGIVPHBSA-N 616.180 4.678 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 261074349 QDKXPCHCSYLUJY-DFHRPNOPSA-N 586.154 4.669 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 261079914 QZXRHCONHWYSFO-FIPFOOKPSA-N 611.736 4.655 0 40 KJAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccc(N2CCOCC2)c(Cl)c1 408545588 VRLXPPCUXICFRI-UHFFFAOYSA-N 507.015 4.607 0 40 KJAB COc1cccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 408616656 ZRXSLUQDSGCIKR-UHFFFAOYSA-N 535.666 4.854 0 40 KJAB CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 408665903 RTHZMLDLCNWMQM-IBGZPJMESA-N 500.979 4.530 0 40 KJAB CCCC[C@@H](C(=O)OCC(=O)Nc1cccc(C(C)=O)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408689788 SQVQQAUTUPBRNG-MTFBUDRBSA-N 564.638 4.822 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 408694089 BAELVRJJLVNCQL-UHFFFAOYSA-N 566.101 4.724 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC)c(I)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408776935 SSZFDBBMUZEUGN-JCAJYURWSA-N 718.326 4.545 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408810684 KIFKDCKNOYAFOY-HZHYMEEXSA-N 670.500 4.697 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)O)cc4C)o3)c(=O)n2[C@H]1c1ccccc1Cl 408834855 VYQUXVSHSXISLB-ZDGAQAAHSA-N 563.031 4.718 0 40 KJAB COc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(SC)cc1)C(C(=O)OC(C)C)=C(C)N=2 408922131 NPFJIFYGCYSAFR-VZIOXZNFSA-N 529.083 4.571 0 40 KJAB O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 409006871 RLRXJMBQANPCPY-UHFFFAOYSA-N 554.446 4.811 0 40 KJAB CN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)N(C)C1=S 409041533 ANGMQQLTPPGTOD-SXGWCWSVSA-N 608.214 4.644 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4C)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 409111966 ABIPLERTNNBTEL-MFCBUNOESA-N 607.084 4.815 0 40 KJAB CC(C)CNC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 409117201 NSBCUSIRIVDOFH-UHFFFAOYSA-N 500.020 4.560 0 40 KJAB O=C(Cn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c2ccccc21)NCc1cccs1 409124634 BBPFPUHYLCMSPP-FMCGGJTJSA-N 548.621 4.833 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)c2ccc(C)cc2C)cc1 409126225 NISKAHYQIXEDSD-UHFFFAOYSA-N 507.656 4.832 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc(F)cc2)C1=O)Nc1ccccc1N1CCOCC1 409201105 NRBXOONNVTYIIU-ONUIUJJFSA-N 547.608 4.916 0 40 KJAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccccc3)c(I)c2)C1=O 409237124 JEYVTGDFBOYYSC-HZHRSRAPSA-N 581.410 4.964 0 40 KJAB Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)cc2)cc1 409272799 HHCFDJLQQJFGMB-WGOQTCKBSA-N 541.629 4.634 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCc1ccccc1 409274172 NGFUZRLBHWGPDI-WGOQTCKBSA-N 514.603 4.895 0 40 KJAB CCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)c2ccccc21 409344511 JTNTULVXARGBON-ODLFYWEKSA-N 531.375 4.941 0 40 KJAB Cc1cccc(NC(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 409370138 LUXVSPQVNVKHKZ-UHFFFAOYSA-N 540.951 4.713 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(Cc4ccc(Cl)cc4)c4ccccc43)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409389608 QPMKJXQJZRABSC-QPNXRCJGSA-N 657.192 4.691 0 40 KJAB COC(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O 524730803 XSWHFVJCMPNOSM-QYBDOPJKSA-N 547.482 4.923 0 40 KJAB biogenic COC(=O)C[C@@H](c1cccc(Oc2ncccn2)c1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O 524731249 PYYJLNIJJNWOLD-KCWXNJEJSA-N 557.559 4.606 0 40 KJAB biogenic O=S1(=O)C[C@H](O)[C@@H](N(c2ccc(NS(=O)(=O)c3cc(Br)ccc3Br)cc2)S(=O)(=O)c2cc(Br)ccc2Br)C1 575424983 WNUMEHUDBHHLKA-PMACEKPBSA-N 838.210 4.891 0 40 KJAB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc(F)c2)C2=C(N=3)c3ccccc3CC2)cc(I)c1O 5929500 UDHAFKXARZSLDD-YXDQGSNCSA-N 610.448 4.777 0 40 KJAB CCOC(=O)CN(C(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccccc1)c1ccccc1 6089319 HFDGNHZMDXISRX-UHFFFAOYSA-N 532.622 4.640 0 40 KJAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(c4cc(Cl)ccc4C)CC3)cc2c1 6280675 AMIQYDQOINLRCC-HHHXNRCGSA-N 548.091 4.902 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 6489097 PTOJYJJRYHHHMS-XSZPGNIMSA-N 579.472 4.829 0 40 KJAB O=c1c2cc(I)ccc2nc(/C=C/c2ccc3c(c2)OCO3)n1Cc1ccccc1 9301831 LTLWYZQBYWVORF-YRNVUSSQSA-N 508.315 4.949 0 40 KJAB CC(=O)Nc1ccc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2ccccc2F)cc1 10243995 YJLSRQAHTRZSQJ-UHFFFAOYSA-N 501.543 4.695 0 40 KJAB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@@]1(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F 12402722 MYUKEQNUDLMBIU-OAQYLSRUSA-N 501.288 4.514 0 40 KJAB Cc1ccc([C@H](C(=O)NCc2ccco2)N(CCc2ccccc2)C(=O)CNC(=O)c2cccs2)cc1 12485529 ZBBLDBIGMYZEHE-HHHXNRCGSA-N 515.635 4.508 0 40 KJAB C[C@H]1CCc2c(sc3ncnc(SCC(=O)Nc4ccc(S(=O)(=O)N5CCCCC5)cc4)c23)C1 12833702 OAFLLOPUIHYECN-INIZCTEOSA-N 516.714 4.722 0 40 KJAB COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1ccccc1C 13029448 OTXLOQQDYBWJNZ-LJAQVGFWSA-N 511.626 4.577 0 40 KJAB Cc1ccc(C(=O)N(CCCN)[C@@H](c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1 14191768 SMFXSYMLJDHGIE-XMMPIXPASA-N 503.672 4.706 0 40 KJAB investigational CCCNC(=O)c1ccccc1NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 14411627 XLUXORZXHDIWJX-UHFFFAOYSA-N 500.020 4.698 0 40 KJAB Cc1ccc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)cc1S(=O)(=O)N(C)C 16044585 ASPNTBVBVBPNBJ-UHFFFAOYSA-N 517.717 4.819 0 40 KJAB CSc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1C(=O)N1CCCCCC1 26120381 AKJIAFBNDADZMT-UHFFFAOYSA-N 522.136 4.897 0 40 KJAB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccccc1N1CCN(C)CC1 33621458 GINHIXLBLKEUSX-BQYQJAHWSA-N 509.242 4.624 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 33769426 WVMSCMMYIWTITG-ZDUSSCGKSA-N 508.431 4.835 0 40 KJAB CCOC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)c1C 44845990 MLAPIHBRHUQGMR-UHFFFAOYSA-N 513.443 4.659 0 40 KJAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccccc3C(=O)NCCCN3CCOCC3)cc12 53391779 CSVOGMJAGWYGSD-UHFFFAOYSA-N 538.073 4.753 0 40 KJAB COc1ccc(N(CC(=O)NCCSCc2c(F)cccc2Cl)S(=O)(=O)c2ccc(F)cc2)cc1 59651844 MAOJMGUZNWBVPY-UHFFFAOYSA-N 541.041 4.872 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@@H](C)c2cccc(Br)c2)cc1 59834789 RQVKROIEINTPLB-IBGZPJMESA-N 531.472 4.569 0 40 KJAB C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@H](Cc5ccccc5)C(=O)O)C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C 70680436 QOXQKEFDMRHFRC-KVWHQCTDSA-N 631.814 4.639 0 40 KJAB O=c1c2nnc(C(F)(F)F)n2c2cc(Cl)ccc2n1CCNc1ncc(C(F)(F)F)cc1Cl 95500199 CXTWLUIXKQRSHI-UHFFFAOYSA-N 511.213 4.896 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCc3ccccc3F)C2=S)cc1 97995485 UDQHWDKNVGFPAQ-XMMPIXPASA-N 537.588 4.715 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(C)cc1)N(C(=O)CNC(=O)c1cccs1)c1cc(OC)cc(OC)c1 100414785 WDVOYFZYYSQFCQ-AREMUKBSSA-N 537.682 4.883 0 40 KJAB O=C1[C@@H]2[C@H]3C[C@H]([C@H]2C(=O)N1c1cccc(C(F)(F)F)c1)[C@@H]1[C@@H](c2ccccc2O)c2sc(=O)[nH]c2S[C@@H]31 101175211 MCQJXXZRIXGSNV-ODWAURGVSA-N 544.576 4.839 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1 106480810 JOVACMKOOXXOAT-UHFFFAOYSA-N 609.726 4.788 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCc1ccc2ccccc2c1 214634195 CCFVGDPSAMICQI-YZSQISJMSA-N 532.618 4.713 0 40 KJAB CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(OC)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 216317612 NNUHNSBDDOKCLQ-GOSISDBHSA-N 547.471 4.929 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 222577754 KHMCPCIVSPWBEX-SETSBSEESA-N 579.763 4.964 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222716298 YVYQHYSZCFEQLJ-DEOSSOPVSA-N 535.710 4.831 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 222791552 RNYULAQZMDPHBR-NRFANRHFSA-N 572.127 4.876 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)c(C)c2)cc1C 222811780 TXZJMBCFLXYRGU-UHFFFAOYSA-N 535.666 4.595 0 40 KJAB CC(C)c1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 222854489 LSUJQBZEBFJZQU-IBGZPJMESA-N 522.111 4.561 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 222857675 YPUVFSKGLROEFD-SANMLTNESA-N 602.153 4.885 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 222860139 NSVIVLGVCIVQFZ-NDEPHWFRSA-N 565.736 4.839 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccccc1 222891698 MHXAXJVJJPVADS-OAQYLSRUSA-N 542.101 4.651 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 223008626 VMVAMXFSRICYMB-VWLOTQADSA-N 595.762 4.850 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223050787 PXWZAJPZEARAHM-XMMPIXPASA-N 551.709 4.533 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 223055903 CIJHVWXXYVCNJT-JOCHJYFZSA-N 616.578 4.905 0 40 KJAB 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SIYYUPAFDMGWRH-NDEPHWFRSA-N 500.586 4.610 0 40 KJAB COc1ccc(CN2CCOc3ccccc3CCCCC3(CCN(C(=O)c4cc(S(N)(=O)=O)ccc4OC)CC3)C2)cc1 643570430 FVBZIIFDTFHOQV-UHFFFAOYSA-N 621.800 4.881 0 40 KJAB Cc1ccccc1CCNC(=O)Cc1ccc2c(c1)CN(Cc1ccccc1)CC(=O)NCCCCCO2 643573407 VLZPCNHRMFSESL-UHFFFAOYSA-N 513.682 4.578 0 40 KJAB Cc1noc(C)c1C(=O)N1CCCCC2(COc3cccnc3)CCN(CC2)C(=O)c2ccccc2OCC1 643580259 AGIJSFMHCYHEGU-UHFFFAOYSA-N 532.641 4.693 0 40 KJAB CCCc1cc(=O)n2c(C(=O)Nc3cccc(C(=O)OC(C)C)c3)c(C(=O)Nc3ccc(F)cc3)sc2n1 1785901 WNVOITREHGJDJL-UHFFFAOYSA-N 536.585 4.917 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OC)c(=O)n2[C@H]1c1ccc(F)cc1 2174038 WIZIGDBOFFKSBP-VFHYMGCCSA-N 549.023 4.737 0 40 KJAB O=C(Nc1cc[n+](-c2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1)c1ccccc1Cl 2365942 HAFHUXCHCZPUHV-UHFFFAOYSA-O 516.990 4.613 0 40 KJAB COc1ccc(-c2cnnn2-c2ccc(C(=O)COC(=O)c3cccc(I)c3)cc2)cc1 2684832 CMDNIAVCZYSXSL-UHFFFAOYSA-N 539.329 4.587 0 40 KJAB COC(=O)c1c(NC(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)OC)CCC4)cc2)sc2c1CCC2 2748357 VMVZTZVAVKQZGM-UHFFFAOYSA-N 524.620 4.865 0 40 KJAB O=C(Oc1ccc2cc(C(=O)NCCc3ccccc3)c(=O)oc2c1)c1ccccc1I 2889924 HSQQVEIRPIYGLP-UHFFFAOYSA-N 539.325 4.589 0 40 KJAB COc1cc(C(=O)OCC(=O)c2cc(C)n(C[C@@H]3COc4ccccc4O3)c2C)ccc1OC(F)F 3351945 QKEVCGACYFFTKQ-GOSISDBHSA-N 501.482 4.595 0 40 KJAB COc1ccc(-c2csc(NC(=O)[C@@H](CCSC)NS(=O)(=O)c3ccc(Cl)cc3)n2)c(OC)c1 3476653 UQWSUCMCIAXXKO-GOSISDBHSA-N 542.104 4.519 0 40 KJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(I)c(O)c(I)c3)C2=O)cc1 8400594 LPSIBOODXIZFIM-NVNXTCNLSA-N 620.206 4.585 0 40 KJAB NC(=O)c1ccc(NC(=O)COC(=O)c2c(-c3ccccc3)csc2NC(=O)c2cccs2)cc1 13129428 JLYRQVWZWBPNBI-UHFFFAOYSA-N 505.577 4.623 0 40 KJAB CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 16000096 DPUALGDKCIYXHO-CQSZACIVSA-N 517.471 4.882 0 40 KJAB COc1ccc(CN(Cc2cccnc2)[C@H](c2cc3cccc(C)c3[nH]c2=O)c2nnnn2C(C)(C)C)cc1 19973105 CQUURCHARNEDPT-HHHXNRCGSA-N 523.641 4.773 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)CCC(=O)Nc1cc(C)on1)c1cc(OC)ccc1OC 38146004 ZOUJYVWOJSQMPG-MUUNZHRXSA-N 566.655 4.807 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccc(Br)cc1 59834518 LKHQNFCWGXVYPW-IERDGZPVSA-N 551.890 4.878 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(C)(=O)=O)cc2)cc1 59858309 DOGWGHSMLAHJBO-UHFFFAOYSA-N 592.017 4.573 0 40 KJAB COc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 60016723 IRDBWYQOZCSQAA-UHFFFAOYSA-N 539.057 4.663 0 40 KJAB CN1CCN(C(=O)C[C@@H](c2ccnc3ccccc23)c2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)CC1 97971947 WGMDXMMGLCJBMZ-QHCPKHFHSA-N 535.600 4.715 0 40 KJAB biogenic O=C(O)CC/C(=C\c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1nc2ccccc2s1 97981459 OZUROPXOMHEMCL-HTXNQAPBSA-N 524.620 4.983 0 40 KJAB CN[C@H]1[C@@H](O)C[C@@H](O[C@H]2C/C=C(/C)C/C(C)=C/C=C/CC[C@@H](C)CNC(=O)/C=C\C=C/[C@H]2C)O[C@H]1C 100133558 FINGADBUNZWVLV-SZRQZHARSA-N 500.724 4.979 0 40 KJAB in-vitro COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(OC)c1 100306075 SLFCFBXWEOMFQZ-KMBIYUNPSA-N 546.048 4.545 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cc(OC)ccc1OC)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 100355605 MNEKTBVDJUMDPC-HHHXNRCGSA-N 533.604 4.667 0 40 KJAB CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O 100389336 QRQQMPIOWPIFNN-RPBOFIJWSA-N 544.656 4.583 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(C(=O)CCC(=O)Nc1cc(C)on1)c1ccc2c(c1)OCO2 100415993 CREOMBXKAMTMGP-HHHXNRCGSA-N 580.638 4.527 0 40 KJAB COc1ccc([C@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1OC 100625424 OWYQTCMBUOLPLA-WJOKGBTCSA-N 549.631 4.535 0 40 KJAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 102231924 NXQLKDYRNLBFIT-UHFFFAOYSA-N 540.347 4.977 0 40 KJAB COc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N32)cc1Br 103510611 XRICBSHPLVJRLD-WJNCPCKPSA-N 547.380 4.870 0 40 KJAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)S(C)(=O)=O)cc1 109138208 ISFMOKYHEMRHDH-SFHVURJKSA-N 536.075 4.551 0 40 KJAB O=C1[C@H]2N=NN(CC(=O)N3N=C(c4ccc(Br)cc4)C[C@H]3c3ccccc3)[C@H]2C(=O)N1c1c(F)c(F)cc(F)c1F 150387056 LOFWZMFPNNZYQC-BFMBIBTESA-N 629.368 4.677 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 222581737 CTNVGDIIDMMPJF-AREMUKBSSA-N 602.153 4.885 0 40 KJAB COc1cccc(N(CCCC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c1 222581762 SASAWIXGGBALHF-HKBQPEDESA-N 593.790 4.962 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 222687862 CSNFGAGLEKDFQI-JOCHJYFZSA-N 586.538 4.600 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223071162 XIDWOPVWDHVZDD-DEOSSOPVSA-N 581.735 4.541 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223134728 LEMFBUHPQXAOQD-HKBQPEDESA-N 569.727 4.967 0 40 KJAB O=C(NCc1ccncc1)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 223169868 SCOWVDBRYZHDJD-MGBGTMOVSA-N 628.770 4.894 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223218134 OFIRAYGSMBQGJX-SANMLTNESA-N 529.747 4.880 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)(C)C)cc1Br 223404525 PWFXUTBYPREHGP-OAQYLSRUSA-N 505.453 4.687 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 223712215 DUIMMDDWAFRQEX-XMMPIXPASA-N 536.138 4.651 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224009198 ANANBRVAXMISOE-SETSBSEESA-N 637.799 4.567 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 224105222 VTSPLUJRJPVJFC-PMERELPUSA-N 579.763 4.716 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 224257140 JMOJHMUAMOMENZ-HHHXNRCGSA-N 556.128 4.581 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 224590848 CWPBIFLBJCPASO-HKBQPEDESA-N 587.742 4.781 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(I)cc1 224661134 UMLDEIGTMIVNDF-JOCHJYFZSA-N 522.427 4.558 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 224784360 CRIBEXJPQDLWNL-NRFANRHFSA-N 556.128 4.980 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 225079368 RDHADWFAJPROQQ-NDEPHWFRSA-N 551.709 4.533 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225111789 IQVSCYYIGWHJTN-BJKOFHAPSA-N 581.735 4.540 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 225116168 VQPLADIFOMGVRI-NDEPHWFRSA-N 551.709 4.533 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 225137028 STERMVAUHZXLNY-HHHXNRCGSA-N 565.736 4.923 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 225198876 BUHBBBUHUCAATJ-DEOSSOPVSA-N 582.536 4.611 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccco3)c2C)cc1 225209113 JDSCCCIOVZVDEH-KAYWLYCHSA-N 515.639 4.903 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225217471 BNIGLRDCBNFLGG-HXUWFJFHSA-N 622.582 4.590 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2cccc3cccc1c23 225411467 HVMQXRRWRBCJNO-NHCUHLMSSA-N 501.627 4.921 0 40 KJAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 225426557 CEMXCJFWZFPQHS-HHHXNRCGSA-N 556.128 4.911 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 225610673 GTVPECWZPRNTNP-GOSISDBHSA-N 550.508 4.709 0 40 KJAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NCCSc1nc(-c2ccccc2)n[nH]1 226032755 KCWHGIXSMUBAKL-UHFFFAOYSA-N 590.558 4.920 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)Oc3ccc(C)cc32)cc1 260922475 GTRMQTRQVFWGJO-KDYSTLNUSA-N 508.640 4.763 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 260979825 NWBSDZDOYUGZEI-PKTZIBPZSA-N 569.699 4.670 0 40 KJAB 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4.902 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cc(Br)cc(OC)c3O)c2=O)=N1 409038953 WFHVHOFAZQIXBD-KIHONOKQSA-N 666.388 4.826 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OC(C)C)cc4C)o3)c(=O)n2[C@@H]1c1ccccc1OC 409120167 VPGOWTYYJAFKIH-NULZLWRNSA-N 600.693 4.941 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc(I)c1OC 409164112 CNUUVZFDSUXCED-CXUHLZMHSA-N 603.232 4.746 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc(F)cc2)C1=O)Nc1ccc2c(c1)OCO2 409166044 CEQADUXZFGQIPB-KSEXSDGBSA-N 506.511 4.808 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409262317 GTDRGRUDSDBBAO-UHFFFAOYSA-N 631.773 4.501 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(N4CCC(C)CC4)o3)c2=O)=N1 409271616 VKOHSSIDBUXKAR-MGXIGDRJSA-N 556.663 4.842 0 40 KJAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1Br 409402066 VCJUPVPEVFNRJO-WIWNTQSISA-N 511.756 4.752 0 40 KJAB 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc(C(=O)OCC)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409033255 OKSSDBFKMRDRMP-JEBSQDRDSA-N 714.793 4.505 0 40 KJAB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409048666 UGIWXJRPEJUORZ-CDORBJOZSA-N 507.542 4.826 0 40 KJAB COC(=O)c1ccccc1NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1 409057676 HTEMMIHCAIOHBY-UHFFFAOYSA-N 521.422 4.918 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3OC)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409077823 ADWUGYDCFKYWJR-KEBMYNNESA-N 795.231 4.787 0 40 KJAB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)c(OCC)c1 409167401 IPHGHYQVERGSBE-KEBDBYFISA-N 518.975 4.599 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(F)F)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 409167674 JEXIICVSVIVSBI-QPWQWLJXSA-N 606.647 4.944 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OC(F)F)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 409171338 ZJTVXMCIJVKEOF-HTCWZNLXSA-N 592.620 4.554 0 40 KJAB CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)Nc1c(F)cc(F)cc1Br 409350390 STNPDULYOQCSBN-UHFFFAOYSA-N 527.391 4.966 0 40 KJAB COc1ccc(NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccc([S@](=O)(O)=N[C@@H]3CCCC[C@H]3C)cc2)cc1 409416030 ZUDHVMCVMQIPKN-FQRUVTKNSA-N 575.709 4.996 0 40 KJAB CC(C)CN1CCCN(C(=O)c2ccccn2)Cc2cc(F)ccc2N(C(=O)c2cccnc2)CCC1 643573203 VYNPXBHJKCZMQB-UHFFFAOYSA-N 503.622 4.657 0 40 KJAB CCCC(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)c2cncnc2)Cc2ccc(Cl)cc21 643589517 YYXYVWORLBWCOU-UHFFFAOYSA-N 506.050 4.811 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2Nc2ncc(Cl)cc2Cl)cc1 720301 NACMRRFUZVGHLB-NRFANRHFSA-N 588.473 4.932 0 40 KJAB CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2ccccc2F)cc1 1372498 YSYWIZYYMAHZDW-SSEXGKCCSA-N 535.579 4.864 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1 2148296 UEUKJOPHRBJFCN-HDFSHUSISA-N 572.658 4.915 0 40 KJAB CCc1ccc(OCc2nnc(SCC(=O)c3ccc4c(c3)NC(=O)CO4)n2Cc2ccccc2)cc1 3220117 ZKKNXTYRBHBGDC-UHFFFAOYSA-N 514.607 4.774 0 40 KJAB C[C@H]1Cc2ccccc2N1C(=O)CN(CC(=O)N1c2ccccc2C[C@@H]1C)S(=O)(=O)c1cc(Cl)ccc1Cl 3221537 ZGNGUAXOLMJNMD-OALUTQOASA-N 572.514 4.940 0 40 KJAB Cc1ccc(-c2csc3ncnc(Sc4nc(C)nc5c4c(=O)n(C)c(=O)n5CC(C)C)c23)cc1 3349415 JQEGOEAIVQRIFM-UHFFFAOYSA-N 504.641 4.586 0 40 KJAB COc1ccc(CN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)S(=O)(=O)c2cccc(C(C)=O)c2)cc1 6320816 OZRRTBKNGXDQKT-UHFFFAOYSA-N 504.608 4.747 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3cccc(OC)c3)c2=O)=N1 8407269 JORKQNASMPJDPL-MGXIGDRJSA-N 542.657 4.749 0 40 KJAB CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N1CCN(C(=O)c2ccco2)CC1 9033298 ZFAJABLUVTWCJB-OCDGACMBSA-N 500.680 4.997 0 40 KJAB biogenic COC(=O)c1c(NC(=O)COC(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2C)sc2c1CCC2 9968551 BUBNXBZVEJPKFQ-UHFFFAOYSA-N 515.591 4.980 0 40 KJAB COc1ccccc1CCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 12655647 JSGBMGVCNQEHNT-QHCPKHFHSA-N 518.610 4.526 0 40 KJAB biogenic CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC 13024750 RQRPRGPLMOSJAX-SANMLTNESA-N 503.578 4.658 0 40 KJAB COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)c1 13028599 XRGQCDWGDMOUNR-MUUNZHRXSA-N 515.589 4.802 0 40 KJAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)Sc2nnc(Nc3ccccc3F)s2)ccc1C 13526970 ROHWYUXOEROQPT-OAHLLOKOSA-N 523.681 4.879 0 40 KJAB O=C(CCCCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)OCC(=O)c1ccccc1 18246885 BVLCAUZJXAIOQC-QYVRTBTHSA-N 507.586 4.865 0 40 KJAB CCc1ccccc1N(CC(=O)Nc1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccc(C)cc1 19856402 DGLIBZUZVUIXLG-UHFFFAOYSA-N 501.004 4.831 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccc(SC)cc1 20010040 FHXHPOFZVIZDBZ-VGOFRKELSA-N 519.088 4.838 0 40 KJAB CC[C@H](c1nnnn1C[C@H]1CCCO1)N(CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 33937174 WAXOXSSFZNHMPG-CLJLJLNGSA-N 500.647 4.506 0 40 KJAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1Cc1ccccc1 97954409 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508.999 4.844 0 40 KJAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5cc(C)ccc5C4=C[C@H](c4ccc5c(c4)OCO5)[C@@H]3C2=O)c(C)c1 408731340 JVLVBAPVSDLAFW-TZQPNWGHSA-N 507.542 4.862 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)c2=O)=N1 408828086 IRTYRVWNIFNLRS-UNDLXJOSSA-N 612.704 4.864 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408860469 WIRVUFXSWXFDQA-XQNWCSQWSA-N 600.718 4.797 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)c1 408921688 VAAVWHWLKOVCKZ-UHFFFAOYSA-N 655.751 4.664 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(C)=O)cc4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408981021 HGDLRRXYMGMDDM-RISWYLRJSA-N 547.032 4.914 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 409017740 GWNROTVTFGVHMS-MFCBUNOESA-N 728.536 4.828 0 40 KJAB 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Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(N2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@H](C)C2)CC1 618257307 UPRBVJKSXGZZSG-MRXNPFEDSA-N 563.090 4.512 0 40 KJAB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 949774 BUWUHGPQXXIEHS-MHZLTWQESA-N 566.997 4.960 0 40 KJAB CCOC(=O)c1c(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)sc2c1CCCC2 1784889 YCPMWNPTOGOQBQ-CQSZACIVSA-N 528.700 4.760 0 40 KJAB Cc1ccc(NC(=O)CN(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 2643676 KZHMTIHKOKPISL-UHFFFAOYSA-N 514.047 4.842 0 40 KJAB CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc2)c1 3244118 FRDCNWZKIGTELG-SANMLTNESA-N 520.607 4.601 0 40 KJAB CCOc1ccc(-n2c(SCC(=O)NC(=O)NC(C)(C)C)nnc2-c2ccc(Br)cc2)cc1 3290419 CYSHJRNVMDGATO-UHFFFAOYSA-N 532.464 4.812 0 40 KJAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(Cl)cc2N)sc(Cc2ccc3c(c2)OCO3)c1C 3309497 JMRQSSJZICYOOL-UHFFFAOYSA-N 530.986 4.584 0 40 KJAB O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1nnc(-c2ccc(Cl)cc2)o1 3310281 AZROHZDUEWAKHF-UHFFFAOYSA-N 546.030 4.590 0 40 KJAB O=C(COC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccccc1Sc1ccccc1 3310352 JFKWGQANWPYVLN-UHFFFAOYSA-N 525.435 4.605 0 40 KJAB Cc1ccccc1C(=O)NN1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 3669536 TYKPUPVOQNFYBG-ITYMFSOSSA-N 566.249 4.545 0 40 KJAB C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(NC(=O)C3CCCCC3)nc1[C@H]2CC(=O)Nc1nccs1 4222315 ZVALXHJHAOIZAX-ORRJGVMRSA-N 532.732 4.563 0 40 KJAB biogenic,in-vitro O=C(CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NC3CCCCC3)C(=O)N12)Nc1cccc(Cl)c1 8594857 RCYPGMQGBKWKDQ-QFIPXVFZSA-N 538.073 4.900 0 40 KJAB O=C(Nc1ccccc1)[C@H]1[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN21 9281931 HQSIGFXCYUDQCL-KAOXLYBCSA-N 505.361 4.511 0 40 KJAB COc1ccc(CCN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)cc1 9428447 UAGYNZUVVPBMNF-XMMPIXPASA-N 524.042 4.931 0 40 KJAB CCc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccc(F)cc2)Cc2ccco2)cc1 11914696 ICBLEFNDFOGPEG-UHFFFAOYSA-N 508.575 4.634 0 40 KJAB CCN(C(=O)CSc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1)[C@H]1CCS(=O)(=O)C1 12532981 LPYQSVWSILHAMH-QHCPKHFHSA-N 526.728 4.655 0 40 KJAB CC1(C)C[C@H](NC(=O)c2cc3ccccc3oc2=O)C[C@](C)(CNC(=O)c2cc3ccccc3oc2=O)C1 12600433 KIDYVYCXLARYHV-WRGVRERRSA-N 514.578 4.644 0 40 KJAB CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(I)cc2)CC1 14291114 WMECHGWQLRIANY-UHFFFAOYSA-N 511.791 4.502 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 20009714 CDABOPOOUAVCGH-LJQANCHMSA-N 512.937 4.896 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccccc2)cc1 22079374 KCGAEXPMEPMTBJ-UHFFFAOYSA-N 502.596 4.813 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)NCCSCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 22843784 JVGOJNYZSMVCNP-UHFFFAOYSA-N 519.088 4.902 0 40 KJAB COc1ccc([C@@H]2N(C(=O)c3c(SC)nsc3SC)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 33354134 GNMAGRRMXYVRJJ-OAQYLSRUSA-N 535.738 4.749 0 40 KJAB Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N4CCC[C@H]4C(=O)O)C(=O)N32)cc1 38139932 ZXKWIJYSLSNFLY-UNCTUWKVSA-N 548.599 4.648 0 40 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CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223861978 VONAEUVATJEUDI-MRXNPFEDSA-N 578.946 4.755 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223862236 MLTDXFWSDQZIEP-QGZVFWFLSA-N 542.529 4.610 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 223905519 VAKHOBFJBYVQJM-IBGZPJMESA-N 542.529 4.710 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 224051198 CDIJAFRDCNZNGH-QFIPXVFZSA-N 567.683 4.506 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)c2ccccc2)cc1 224118062 JOOMIIOSRIOZFQ-VWLOTQADSA-N 535.710 4.688 0 40 KJAB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1nnc(-c2ccccc2)s1 224158611 DMDNITFTEJBUIZ-UHFFFAOYSA-N 529.441 4.802 0 40 KJAB COc1cccc(N(CCCC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 224419448 SXOVLVZMKZZQNM-LJAQVGFWSA-N 597.753 4.935 0 40 KJAB 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226025075 KONRRHXLEQIMBK-UHFFFAOYSA-N 535.847 4.719 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2c3ccc(Br)cc3C[C@@H]2C)cc1C 226053006 DGFWJZSQAHAWMS-FQEVSTJZSA-N 557.510 4.977 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1 226078024 ZVRXGFVQAAFQRC-UHFFFAOYSA-N 521.664 4.999 0 40 KJAB Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CCCN(Cc3ccc(F)cc3F)C2)ccc1Cl 257229941 GACKSLFJUZJRFB-HHHXNRCGSA-N 506.037 4.752 0 40 KJAB CCOc1ccc(N(CC(=O)N[C@H](C)c2ccccc2OC)S(=O)(=O)c2ccc(Cl)cc2)cc1 260746479 XVSKHABFMQOQNY-GOSISDBHSA-N 503.020 4.820 0 40 KJAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1 260877694 BSEJHJOKNUAMHF-SSEXGKCCSA-N 579.738 4.844 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c(OC)c1 260941400 CTNYBTRQRVSRMC-HHHXNRCGSA-N 660.631 4.787 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 260971037 MMABESGOWLZUPN-YADHBBJMSA-N 602.153 4.885 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 261005633 SMROHBVPULMYCA-GIGWZHCTSA-N 565.736 4.921 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 261081734 RJFBXVAKOXTVNY-CUNXSJBXSA-N 586.154 4.669 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 261090280 TYKDXKYIQQQOLP-MUUNZHRXSA-N 549.737 4.624 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)cc1Cl 408585519 ZASJRFRLMBXEEL-UHFFFAOYSA-N 501.830 4.541 0 40 KJAB COc1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2cc(C)ccc2OC)c1 408598009 YSBZAWYVWLTCLI-UHFFFAOYSA-N 508.518 4.865 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)sc2c1CCC2 408618580 KFQNUFVOZPLHLB-UHFFFAOYSA-N 512.653 4.864 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)Cc2ccccc2)cc1C 408624341 SNNLIGLYDRMVAJ-UHFFFAOYSA-N 575.653 4.952 0 40 KJAB O=C(CN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccccc1Cl 408669225 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DBHSQLCACHAYPY-HTDPGAKESA-N 704.773 4.866 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409050018 RZXPBQNIGNKNIW-YIECNSLDSA-N 681.561 4.771 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4nc(Cl)ncc4F)c3)c(=O)n2[C@@H]1c1ccccc1Cl 409063823 NLTQJMYBIPTKDJ-ZRELAVNMSA-N 585.444 4.827 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)c(Br)cc1O 409152850 KFJPFKOGSPQFEQ-LSCVHKIXSA-N 523.430 4.950 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 409239118 GLODUTRBQUGHCK-DEDYPNTBSA-N 522.982 4.968 0 40 KJAB CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O 409340466 XQAPVIHAEMZTNQ-OVCLIPMQSA-N 515.307 4.940 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc(I)c1OC 409345361 LNFLZBIEQIGYIH-CXUHLZMHSA-N 650.232 4.588 0 40 KJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(I)cc2)ccc1C 409369573 PNHOFOSCYBEPIG-UHFFFAOYSA-N 506.365 4.961 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc(OC)c3OCc3cccc(C)c3)C2=O)o1 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Cc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)cc1 408686694 NPCHFNYYSDTMFQ-YNNOQEPZSA-N 508.574 4.720 0 40 KJAB C[C@H](NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)c1)c1ccccc1 408691016 XSNWAEHDUZOSIY-KTZAATCYSA-N 522.601 4.650 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)c(Cl)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408736165 JGNMKGRLTGEVJP-MFUBYVTQSA-N 561.487 4.903 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCC)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408767717 GMDOKUVFLOOTQS-QJWUKVPRSA-N 621.937 4.630 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408832340 SRVWDGSDUCNROA-ZGOFBEGVSA-N 589.069 4.729 0 40 KJAB O=C(CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1)NC1CCCCC1 408984777 MSSFHPXMTGHCOR-UHFFFAOYSA-N 538.695 4.562 0 40 KJAB CCCOc1ccccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OCC)cc4)o3)c(=O)n21 409014078 LXTDMKTWNLCWGZ-RMNLPTLGSA-N 630.719 4.650 0 40 KJAB Cc1cc(I)ccc1NC(=O)CSc1nnc(COc2ccccc2Cl)o1 409019898 XVWZGYFGUBYEID-UHFFFAOYSA-N 515.760 4.946 0 40 KJAB O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc(Br)cc1 409026420 OLDYZVBIQYLMPC-UHFFFAOYSA-N 501.811 4.704 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3OC)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409033105 DOGDQFLNAWUYGU-XOBACGFXSA-N 774.415 4.812 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1I 409038146 OQQDLCCSUORIAS-GGARDQMFSA-N 846.478 4.745 0 40 KJAB COC(=O)c1ccc(NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409069157 LOIKFMINHUWONM-UHFFFAOYSA-N 507.395 4.610 0 40 KJAB O=C(O[C@H](C(=O)Nc1ccc(F)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)O)c1ccc(Cl)cc1 409380691 BDEFEDIZORZIKC-VQTJNVASSA-N 520.296 4.607 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(Cc4ccc(Cl)cc4)c4ccccc43)c(=O)n2[C@@H]1c1ccc(F)cc1 409387589 JCIDHMGODDIJJD-CJJGVWJISA-N 588.060 4.508 0 40 KJAB CO[C@@]1(COc2cccc(Cl)c2)COCCN(Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C1 585280351 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CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)[nH]c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 3767779 BWOFFORKMBKHRN-FWESEHMYSA-N 579.678 4.743 0 40 KJAB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1O)C1(Br)c3ccccc3C2(Br)c2ccccc21 4157126 SAEHAMYQBWUZGD-LMHXZZLNSA-N 525.196 4.802 0 40 KJAB CC(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@H](CSCc1ccccc1)C(=O)OCc1ccccc1 5029047 KDULSAAQRDPXBU-KAYWLYCHSA-N 536.719 4.586 0 40 KJAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N(Cc3ccc(Cl)cc3)C[C@@H]3CCCO3)cc2c1 6014915 DIETXQZYZNFHHS-WIOPSUGQSA-N 537.064 4.702 0 40 KJAB COc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3[C@]23N=C(c2ccccc2)OC3=O)cc1 8770788 PMGLUWPDZIVUOU-FVCFNFBRSA-N 507.590 4.909 0 40 KJAB Cc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccsc23)cc1 9116937 URTSYCNRVXKPEZ-UHFFFAOYSA-N 500.403 4.986 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccc(F)cc2)cc1 9934134 MDGPPHYVZAETOL-DEOSSOPVSA-N 503.530 4.677 0 40 KJAB COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccc(S(=O)(=O)Nc5nccs5)cc4)sc3n2)cc1 11758020 WIGUBZXNXFGYJI-UHFFFAOYSA-N 525.637 4.889 0 40 KJAB C[C@@H](OC(=O)c1oc2ccccc2c1CSC1CCCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12802585 ZGOALXJKIVJRIG-MRXNPFEDSA-N 516.641 4.830 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(C)=O)c1 13024266 JSHSKPDJPPAGKV-HHHXNRCGSA-N 515.589 4.852 0 40 KJAB COc1cccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)c1 13030396 WNJOASCUVWYOSU-HHHXNRCGSA-N 503.578 4.516 0 40 KJAB COc1cc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2Cc2cccnc2)cc(OC)c1OC 13282803 KFGCXLJVOHVYES-VWLOTQADSA-N 500.555 4.565 0 40 KJAB COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cc(Cl)ccc4OC)CC3)cc2)cc1OC 21579749 YBJNATJHAOZYGK-UHFFFAOYSA-N 509.990 4.581 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(OCCSc2ccccc2)cc1 22516005 OQHIOYVSNUPXJM-UHFFFAOYSA-N 506.609 4.701 0 40 KJAB COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(C)ccc4O)c3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC 29749230 HGFQYINWMWOKEB-GDLZYMKVSA-N 559.619 4.922 0 40 KJAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)cc1 32735836 OCQHRSAUXSWFHT-OAQYLSRUSA-N 517.026 4.564 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccccc2Cl)cc1Cl 35132140 IHVROSQMNZQPOF-UHFFFAOYSA-N 507.439 4.552 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 59953040 TUZWMFYDEOZXOE-UHFFFAOYSA-N 531.428 4.768 0 40 KJAB CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2cc3c(cc2s1)OCCO3 60210073 NCEDRTXFFMUTOY-UHFFFAOYSA-N 572.753 4.621 0 40 KJAB COC(=O)c1ccccc1NC(=O)N1[C@H](C(=O)OC)Cc2c([nH]c3ccccc23)[C@H]1c1cc(OC)ccc1OC 70700828 IYARIAGSNDUMRV-RPLLCQBOSA-N 543.576 4.693 0 40 KJAB biogenic CSc1nc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)n1 72203277 MNQFUCXQZYGYAV-UHFFFAOYSA-N 524.684 4.755 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 100152771 SPPVVITXFIOAPL-UHFFFAOYSA-N 541.673 4.800 0 40 KJAB COc1ccc([C@@H]2Nc3ccccc3-n3c(-c4ccccc4Br)c4c(=O)n(C)c(=O)n(C)c4c32)cc1 100239830 JCLJHNOYHZDZCG-QHCPKHFHSA-N 543.421 4.981 0 40 KJAB Cc1ccc([C@@H](C(=O)NCc2ccccc2)N(Cc2cccs2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)o1 100290279 GAZLIJGGKFMXBP-SANMLTNESA-N 544.612 4.529 0 40 KJAB COc1ccccc1N1CCN(C(=O)Cn2cc(S(=O)(=O)Cc3ccccc3Cl)c3ccccc32)CC1 100937460 HKGCCRUSMISZOK-UHFFFAOYSA-N 538.069 4.626 0 40 KJAB CC[C@@H](Sc1nc2cc(OC)c(OC)cc2c2nc(CCn3nc(C)cc3C)nn12)C(=O)Nc1ccccc1F 101308258 QYAZGQZBRPIHEX-XMMPIXPASA-N 563.659 4.999 0 40 KJAB COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 102869930 IQKRQHMQRDFVAH-AWCRTANDSA-N 550.567 4.974 0 40 KJAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 102972457 YHLGJSOLIBIHAX-UHFFFAOYSA-N 576.018 4.797 0 40 KJAB O=C(COc1ccc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)cc1)Nc1cccc(C(F)(F)F)c1 103078463 GECLAULJPTVFMY-UHFFFAOYSA-N 525.483 4.516 0 40 KJAB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccccc1N1CCN(C(C)=O)CC1 105321797 OJIDGSUNRNTWOU-BQYQJAHWSA-N 537.252 4.541 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2)c2ccc(Cl)cc2)cc1OC 107906491 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CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc(I)c1OC(C)=O 408941011 PCPXZTUMNPDDGH-PRLWALMFSA-N 709.562 4.811 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409035263 JKJNVPQTSKEGMF-BQCQJZCVSA-N 812.635 4.631 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409040728 UGWABVVALPORNE-YNMQQHPQSA-N 558.656 4.854 0 40 KJAB COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2Cl)cc1 409060144 UAGVQMQQNVEXPH-NLQUBQHVSA-O 503.793 4.672 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OC(C)C)cc4C)o3)c(=O)n2[C@@H]1c1ccccc1 409121543 XUGSXCZYVFPPPZ-XQNWCSQWSA-N 570.667 4.932 0 40 KJAB COC(=O)Cn1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N2C)c2cc(Br)ccc21 409135883 QZBMRQUTOXWWNB-OCKHKDLRSA-N 518.820 4.835 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC 409146430 UBDIXWDPIVAEIN-UHFFFAOYSA-N 573.671 4.510 0 40 KJAB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)ccc3OC)C2=O)ccc1Cl 409166508 DXAWXHOQPDAFKG-CIAFOILYSA-N 533.002 4.989 0 40 KJAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OC)c(OC)c3)C2=O)cc1Cl 409270585 QZKMCRBSFSOLMQ-CAOOACKPSA-N 541.807 4.803 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(C)c(C)c1 409388047 BVIBEFPZLRRYFG-UHFFFAOYSA-N 542.101 4.818 0 40 KJAB COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4\C(=O)N(Cc5ccccc5Cl)c5ccccc54)c(=O)n32)c1 409388939 OEGGONOIBOIRLE-PGFYKJRFSA-N 614.123 4.766 0 40 KJAB CCCOc1ccc(CN2CCO[C@](COc3cc(C)c(Cl)c(C)c3)(CC(=O)N3CCC(NC(C)=O)CC3)C2)cc1 585286990 YQUGSFJTQVNSJO-JGCGQSQUSA-N 586.173 4.913 0 40 KJAB OC[C@H]1[C@H](O)C[C@@H](NCc2ccccc2C(F)(F)F)[C@@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 604382615 USBCTGWFOBLSAT-OHUMZHCVSA-N 525.493 4.871 0 40 KJAB biogenic,in-vitro CC(=O)N1CCCN(C(C)C)CCN(C(=O)c2ccccc2OCCCN2CCCC2)Cc2ccc(F)cc21 643557972 CIGMAKVBMHRJGZ-UHFFFAOYSA-N 538.708 4.800 0 40 KJAB 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KJAB CC[C@@H](Sc1nc2ccccc2c2nc(CCc3c(C)n[nH]c3C)nn12)C(=O)Nc1cccc(OC)c1 2969653 NRFQAEPSZSHXEM-HSZRJFAPSA-N 515.643 4.921 0 40 KJAB COc1ccc(NC(=O)[C@@H]([C@@H]2CC=CCC2)N(Cc2ccccc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 3771364 GFHJEKRYFWDJEZ-RNWIMVQKSA-N 537.616 4.617 0 40 KJAB COc1ccccc1N1CCN(C(=O)CSc2nc(NCCc3ccccc3)c3ccccc3n2)CC1 9474892 OBYLFUUHGAWZMQ-UHFFFAOYSA-N 513.667 4.734 0 40 KJAB Cc1ccc(CNc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccccc23)cc1 9830036 PQQCJGQBOKHXLV-UHFFFAOYSA-N 508.401 4.793 0 40 KJAB Cc1ccc(N2C(=O)CS[C@@]23C(=O)N(CN2CCN(c4ccccc4F)CC2)c2ccccc23)cc1C 12462227 FRBIYWNAAVTYAF-LJAQVGFWSA-N 516.642 4.502 0 40 KJAB CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O 13495881 NJESEUGGIVRGTA-UIOOFZCWSA-N 500.647 4.506 0 40 KJAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 20005410 XYERHKVITJHOCX-IBGZPJMESA-N 509.411 4.539 0 40 KJAB COc1ccc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 20236017 NAXQEGFTHXJSNT-UHFFFAOYSA-N 504.992 4.508 0 40 KJAB CN(C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1nc2ccc(F)cc2s1 38144530 OKTMFRKTDSCKQO-UHFFFAOYSA-N 552.697 4.781 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)CCC(=O)Nc1cc(C)on1)c1ccc2c(c1)OCCO2 38146007 LKDYEXMODUASKH-NDEPHWFRSA-N 564.639 4.561 0 40 KJAB COc1ccc(N(CC(=O)N[C@H](C)c2ccc(Br)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 59836462 NMQZWGONIQKDPD-GOSISDBHSA-N 547.471 4.847 0 40 KJAB Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCCO2 100363535 OBQGHDCPZYIUOL-SSEXGKCCSA-N 539.636 4.734 0 40 KJAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](C(=O)NCCc2c[nH]c3ccccc23)CC1 100776067 IFYVVGCPNFVOGV-JPYHZWLXSA-N 546.712 4.885 0 40 KJAB O=C1[C@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5cccnc5)[C@H]34)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 100922725 VEJCLUFPDMSGFZ-WREXDLNZSA-N 529.565 4.528 0 40 KJAB CCOc1ccc(-n2c(SCC(=O)N3CCC(C(=O)O)CC3)nnc2-c2ccc(Br)cc2)cc1 103103183 KMJZMJYVESOWFO-UHFFFAOYSA-N 545.459 4.511 0 40 KJAB 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CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 261120753 ZDIBOFYTLXHPTB-UXHICEINSA-N 522.111 4.561 0 40 KJAB COc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1OC 408544664 IJXRHVLGYIWTKX-UHFFFAOYSA-N 503.020 4.747 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCCc2ccc(OC)c(OC)c2)c2ccc(C)cc2)cc1 408615071 LNCXVZCAIGAUCN-UHFFFAOYSA-N 617.724 4.827 0 40 KJAB O=C(NCCSCc1c(Cl)cccc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 408677114 AILHPUMRIOLHMY-UHFFFAOYSA-N 501.501 4.585 0 40 KJAB CCCC[C@H](C(=O)OCC(=O)Nc1ccc(OC)cc1OC)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408680736 DUTBEQPPKYIYQT-WSTPUYFMSA-N 582.653 4.637 0 40 KJAB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 408903666 VVQKWFQSAYSSLN-UCQKPKSFSA-N 611.461 4.786 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC 408981832 CELMZJOJRRMCDV-IZZVBFKTSA-N 677.573 4.649 0 40 KJAB 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CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 224260564 NJKGBDUPBYDJQF-SANMLTNESA-N 606.572 4.934 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 224625056 KRANLEHORLOOIG-SSEXGKCCSA-N 595.737 4.938 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 224862420 RGKNEQOVSSNIGJ-QHCPKHFHSA-N 569.699 4.672 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 224992993 SKHAVDVYQSFJCY-MHZLTWQESA-N 630.605 4.697 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 225105106 LGXOFEIQZSEOIP-HHHXNRCGSA-N 521.683 4.524 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225189407 PSWZQHFVANSVFQ-FCHUYYIVSA-N 602.153 4.885 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 225244539 UKWRESLZWFCLDY-XMMPIXPASA-N 536.138 4.837 0 40 KJAB 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CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 225731810 DTGSVRSMLRCYQA-WZONZLPQSA-N 542.529 4.790 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl 225804804 NTQUNSSNROJZCX-UHFFFAOYSA-N 608.163 4.749 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(C)cc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)c(OC)c1 247932854 RGOIEQIXJJUYKS-APVDNHQMSA-N 558.034 4.680 0 40 KJAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(c6ccc(Cl)cc6)C(=O)[C@@H]54)[C@H]23)cc1 248262242 WXYLWLJAXWRNRI-RTKJTKBQSA-N 525.051 4.776 0 40 KJAB Cc1cc(OCC2(CC(=O)N3CCN(C)CC3)CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)ccc1Cl 257251168 JPSMMFZLFSWTDJ-UHFFFAOYSA-N 588.985 4.969 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 260767896 VPBLDIREJFJFJR-MRXNPFEDSA-N 548.920 4.663 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)c2ccccc2)cc1 260884695 JIYBJZPAWRHYCR-HSZRJFAPSA-N 539.673 4.519 0 40 KJAB 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CCc1cccc(C)c1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 408583732 JKGYNIJVRMKPOM-JOCHJYFZSA-N 501.446 4.848 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2Cl)CC1 408600615 BFKJLOJHEQUOMX-UHFFFAOYSA-N 534.465 4.830 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)c2ccc(C)cc2)cc1OC 408626935 YJBXPFQUQLANPB-UHFFFAOYSA-N 565.692 4.862 0 40 KJAB COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl 408635751 IHBKOBQYIRQRMJ-UHFFFAOYSA-N 509.367 4.598 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 408665326 LHZVUKUDULONOT-UHFFFAOYSA-N 508.493 4.953 0 40 KJAB CCCC[C@H](C(=O)OCC(=O)Nc1ccc(C)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408687491 OWSSSQGNMWLGES-XIWHLEJHSA-N 536.628 4.928 0 40 KJAB CC(=O)Oc1ccc(N2C(=O)c3ccc(C(=O)N4[C@H](C(=O)c5ccccc5)[C@@H]4c4ccccc4)cc3C2=O)cc1 408687635 UZVYNBXSTQWTKJ-FKVRDRQSSA-N 530.536 4.861 0 40 KJAB CCOc1ccccc1NC(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408689665 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CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(Br)cc1OCc1ccccc1Cl 409136840 ZWSSMDRVJSJRHC-WSDLNYQXSA-N 595.899 4.975 0 40 KJAB CC[C@H](C)Oc1c(I)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1OC 409255163 YFNWIWYQVYDVJA-BGARDKSCSA-N 506.340 4.570 0 40 KJAB CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 409269731 MEUKTRLSSASKDA-UHFFFAOYSA-N 530.046 4.713 0 40 KJAB CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3)n21 883833 CGKBPBVUOZQHRI-UHFFFAOYSA-N 525.700 4.578 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21 905929 XMTKBEJOGINYGY-MHZLTWQESA-N 501.656 4.754 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)sc(C(=O)OC)c1C 1746536 NCENCSHDVIVKLW-UHFFFAOYSA-N 505.643 4.634 0 40 KJAB Cc1ccc(C)c(N(C(=O)CCCCCN2C(=O)c3ccccc3C2=O)S(=O)(=O)c2ccccc2)c1 1792004 AREZPCDALKGMMN-UHFFFAOYSA-N 504.608 4.882 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 2190038 YGAAFYLIUDAGRT-BMZLMQSUSA-N 590.657 4.826 0 40 KJAB 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13024174 RMVUBTSXKWQLLG-MHZLTWQESA-N 501.606 4.688 0 40 KJAB COc1ccc(-c2cc(=O)oc3cc(O[C@@H](C)C(=O)Nc4ccc(CN5CCOCC5)cc4)ccc23)cc1 13607210 VGYVCFBXMVEUFW-FQEVSTJZSA-N 514.578 4.707 0 40 KJAB biogenic CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccc(SC)cc2)cc1C 22247571 QEOIMEFPRKLEEM-CPJSRVTESA-N 512.697 4.883 0 40 KJAB COc1ccc([C@@H](C)NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 22428537 VAXDXHNRBVHLNK-QGZVFWFLSA-N 503.418 4.530 0 40 KJAB CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 57642385 DPBDIVYVCAJUDD-AZGAKELHSA-N 500.647 4.772 0 40 KJAB O=C(NC[C@H]1CCCO1)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(F)cc3)N2C1=O 70699178 VEFYYPXFJHYIHC-PBZMZIQDSA-N 538.579 4.699 0 40 KJAB biogenic CC(C)(C)OC(=O)N1CCC[C@H](COc2cc(OC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)ncn2)C1 79439073 FKOARMWAIDZGFW-PMACEKPBSA-N 506.644 4.528 0 40 KJAB O=C(c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)CC1 96021744 OLGSDINIYPQODX-UHFFFAOYSA-N 684.840 4.568 0 40 KJAB O=C(OCc1nnc(-c2cccs2)o1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 97982521 IIOZHNRCNRQUTN-UHFFFAOYSA-N 520.386 4.718 0 40 KJAB Cc1ccc(-c2c(C3=NN(C(=O)CCC(=O)O)[C@@H](c4ccc5nccnc5c4)C3)c(=O)[nH]c3ccccc23)cc1 101496260 PGKIIIDMULAQDS-AREMUKBSSA-N 531.572 4.989 0 40 KJAB CCOc1cc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc(OCC)c1OCC 105317776 WLFIIUPQGVXECL-UHFFFAOYSA-N 566.680 4.565 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 105497068 SZMYYUCZYUSCNL-IMUCPKNRSA-N 614.720 4.793 0 40 KJAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2ccc(OC)c(Br)c2)cc1 112234822 LHILBZRXQLNXCO-UHFFFAOYSA-N 528.428 4.751 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4ccc5ccccc5c4)c(OC)c3)c(=O)n2[C@@H]1c1cc(Cl)c(O)c(OC)c1 150524395 QISIXNRMNRPPOL-FXBMGTMUSA-N 700.169 4.955 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC)S(=O)(=O)c1ccc(C)cc1 222499990 GCOLVSZRGZEYGP-NRFANRHFSA-N 542.101 4.569 0 40 KJAB Cc1cccc(CN(C(=O)CCCN2C(=O)c3ccccc3C2=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 222540358 DYADBPQGVQYFHW-LJAQVGFWSA-N 539.676 4.784 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223002692 AXNAPGJIVOSEDT-DEOSSOPVSA-N 581.735 4.541 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 223007963 QJSRFVVDAMYMNF-NRFANRHFSA-N 602.551 4.515 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 223052153 YVDBDQVWPHRLHO-HSZRJFAPSA-N 539.673 4.663 0 40 KJAB Cc1ccc(-c2nnc(NC(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(C)(=O)=O)s2)cc1 223106872 MLAJTHJLVJEXTO-UHFFFAOYSA-N 504.943 4.590 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c2ccc(F)cc2)cc1OC 223738027 LMOZCCJGFZSZIE-QFIPXVFZSA-N 597.709 4.514 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 223978030 DFNFGBXLBWHDHI-QFIPXVFZSA-N 572.127 4.714 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224056221 HFZYGZNAUCFCJB-MUUNZHRXSA-N 655.814 4.683 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O 224384284 OVLPXDMCEWEWCS-MUUNZHRXSA-N 614.606 4.944 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 224402454 CAFJNSFPMVTVLM-MHZLTWQESA-N 545.721 4.855 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 224599575 SOHHCUFWQNJESX-PMERELPUSA-N 593.790 4.925 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 224908089 PTADYDKRIMGKRU-SFHVURJKSA-N 550.508 4.711 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 224995875 CQTYLVQWFFIBAG-LJAQVGFWSA-N 642.616 4.923 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225180162 WTCLHLKIAVFGGO-HHHXNRCGSA-N 599.725 4.680 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 225183677 MBSQPCNHTJJQMT-HSZRJFAPSA-N 553.700 4.917 0 40 KJAB O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NC[C@@H]1COc2ccccc2O1 225241196 YGLQORWNVXZFBV-QGZVFWFLSA-N 540.947 4.510 0 40 KJAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3nccs3)c2C)ccc1NS(C)(=O)=O 225447335 RJORBTMEAXKWBC-PKTZIBPZSA-N 538.724 4.803 0 40 KJAB O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 225551488 SRBPWAITTCDQRA-OAQYLSRUSA-N 517.022 4.775 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225570409 KNTHFFFYEIXVDB-RBJSKKJNSA-N 595.762 4.930 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 225582073 KFVSKKMETOMBJN-HKBQPEDESA-N 585.726 4.585 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 225721697 SMVDFBHOZJHOAT-NDEPHWFRSA-N 535.710 4.831 0 40 KJAB COc1cc(CN(C)C(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC 226029944 SAAKCILTLADBNP-UHFFFAOYSA-N 567.491 4.869 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)c2ccccc2)cc1 260733905 LAZDSIFJDGGZPZ-JOCHJYFZSA-N 542.101 4.786 0 40 KJAB CCOc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 260771628 WQZHPHILOGVOPS-RUZDIDTESA-N 565.736 4.573 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 260896210 DHJBXCNIYOHKRC-HSZRJFAPSA-N 551.709 4.531 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 260919532 LYLODZMZAUEOHE-WJOKGBTCSA-N 608.780 4.836 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 260952415 KCXFTDYDUQEBSV-HOTGVXAUSA-N 548.920 4.745 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 260962813 LHRXQLLHHXUKGV-ZEQRLZLVSA-N 553.700 4.970 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 261016936 VMOYCRBKKOJNAQ-GIGWZHCTSA-N 565.736 4.921 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 261044430 YZNHYUCLLLFSAD-HSZRJFAPSA-N 551.709 4.531 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)S(=O)(=O)c2ccccc2)cc1OC 408612462 VIWTUROAJLKNKQ-UHFFFAOYSA-N 551.665 4.554 0 40 KJAB COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(I)cc(I)c3O)C(=O)O)o2)c1 408634198 RZGREQQKCQXGGQ-UUASQNMZSA-N 652.204 4.886 0 40 KJAB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408639641 GDIUQESQDHUECX-MJGOQNOKSA-N 515.791 4.684 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(C)c2)cc1C 408675090 RHLDVGFBRYGFHB-JXMROGBWSA-N 533.694 4.649 0 40 KJAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Br)c(Cl)c3)CC2)cc1 408681171 PQSVMEFEWWYDLI-UHFFFAOYSA-N 503.871 4.864 0 40 KJAB COC(=O)c1c(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)sc2c1CCCC2 408714955 ZHNAQRDYIMQKAZ-HNNXBMFYSA-N 545.510 4.901 0 40 KJAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)C1=O 409096275 KGQHSWZGFYSHRO-OTGIAGGSSA-N 506.374 4.635 0 40 KJAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)C1=O 409107096 USTNZOKNNYTVKR-SRZZPIQSSA-N 511.987 4.921 0 40 KJAB COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C3/C(=O)N(Cc4ccccc4)c4ccccc43)c(=O)n21 409115355 IUIMQQSFMBALFB-TXTDGAROSA-N 614.123 4.766 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Br)c1OCc1ccc(I)cc1 409123599 HOICGMYJXJQUFY-FYJGNVAPSA-N 687.350 4.927 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409207464 XPEPAUNYEBIFRL-DICXZTSXSA-N 603.653 4.857 0 40 KJAB CCCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 409317256 TUQLRSMDIOJUSN-UHFFFAOYSA-N 544.471 4.813 0 40 KJAB Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CCCN(Cc3cnn(C4CCCC4)c3)C2)ccc1Cl 585270063 DAUNYUYSWIGVBJ-MUUNZHRXSA-N 515.098 4.870 0 40 KJAB CC(=O)N1CC[C@H]2CC[C@@H](CN(C(=O)CCN(C)c3ccc(F)cc3)Cc3ccccc31)N2Cc1ccncc1 643577514 QDKMFLXAYNMGOT-IHLOFXLRSA-N 543.687 4.866 0 40 KJAB O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 660527 XKNPDZVNGLZCNC-UHFFFAOYSA-N 548.948 4.732 0 40 KJAB CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 902395 FAAUXNRCQYZMAB-LJAQVGFWSA-N 542.615 4.752 0 40 KJAB COc1ccc(NC(=O)CSc2nnc(CNc3ccc(C)cc3C)n2Cc2ccco2)c(OC)c1 923591 QTWXGINROXHYJJ-UHFFFAOYSA-N 507.616 4.896 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(C(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)OCO2 930984 PLRKIGYZNOSEDR-RSXGOPAZSA-N 520.607 4.840 0 40 KJAB COc1ccc(NC(=O)N(Cc2ccccc2OC)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 1336011 STIGWGDXNPWLMM-UHFFFAOYSA-N 501.539 4.551 0 40 KJAB COc1ccc(CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 1350902 GEDPFRDQAHKIJM-UHFFFAOYSA-N 544.695 4.664 0 40 KJAB Cc1cccc(NC(=S)N[C@H](NC(=O)c2ccccc2)C(Br)(Br)Br)c1 3142315 LYAURYVPWZBSIK-HNNXBMFYSA-N 550.114 4.876 0 40 KJAB COc1ccc(CNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2cc(C)ccc2C)cc1 3241205 CDVXBWFNZOQYSO-UHFFFAOYSA-N 506.546 4.843 0 40 KJAB COc1ccc(CNC(=O)[C@H](C)OC(=O)/C=C/c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1 3308785 BXRQYKPQNIAASR-UJGDBWEASA-N 502.398 4.817 0 40 KJAB COc1ccc(-c2cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)Nc3ccccc3F)n2)cc1OC 3655090 TWXNJSGENAHTCR-UHFFFAOYSA-N 527.496 4.511 0 40 KJAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)c(Br)c4)c(=O)n32)c1 3770535 SFCHFPHVNUYZNA-LMSRTUJASA-N 590.499 4.654 0 40 KJAB O=S(=O)(O)c1cc(-n2ncc(-c3ccccc3)n2)ccc1/C=C/c1ccc(-n2ncc(-c3ccccc3)n2)cc1S(=O)(=O)O 4064998 UXEKKQRJIGKQNP-VAWYXSNFSA-N 626.676 4.846 0 40 KJAB CCN(CC)CCCN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C(=S)N[C@@H](C)c1ccccc1 6192972 BDGJPWCGVGQATF-FQEVSTJZSA-N 510.704 4.715 0 40 KJAB CCOc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1C=CC2(c2ccccc2)[C@H]2C(=O)N(c3ccccc3OCC)C(=O)[C@H]12 6631501 YHXQNOBAAZOIFD-VYUQZOQSSA-N 562.622 4.533 0 40 KJAB COc1ccc(CN(CCNC(=O)CCCCC(=O)NCCN(Cc2ccc(OC)cc2)C(C)C)C(C)C)cc1 8398475 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Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)N[C@@H](C)c1ccc(Br)cc1 20022306 DPXYOIFRZYHSKA-KRWDZBQOSA-N 503.418 4.815 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)CCc2ccccc2)cc1Cl 22248255 UPJVSOXTDMORPN-NLFFAJNJSA-N 515.075 4.766 0 40 KJAB CC[C@H](c1nnnn1C[C@H]1CCCO1)N(Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 33937045 FKSOKZAAMMWVOU-ZEQKJWHPSA-N 504.610 4.603 0 40 KJAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 97982876 AUKJEMCDMHHSOF-UHFFFAOYSA-N 564.085 4.576 0 40 KJAB c1ccc(CCn2nnnc2[C@H](c2ccccc2)N2CCN([C@@H](c3ccccc3)c3nnnn3CCc3ccccc3)CC2)cc1 100435151 PSTLTHZPCQUALY-HEVIKAOCSA-N 610.770 4.642 0 40 KJAB Cc1cc(C)nc(SCC(=O)N(Cc2cccnc2)[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)[C@@H]2CC=CCC2)n1 101391154 JTNOMHWBUOKNNQ-PDDLMNHVSA-N 586.762 4.810 0 40 KJAB CN(c1ccc(OCC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1)S(=O)(=O)c1cccs1 102927847 OBZJISFQUJBQCG-UHFFFAOYSA-N 575.665 4.531 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CCCSc2nc3ccccc3s2)c1 103048530 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582.531 4.975 0 40 KJAB O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1)N1CCN(c2cccc(Cl)c2)CC1 408714935 YVSHPMVHNKKPRZ-UHFFFAOYSA-N 530.905 4.537 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 408781049 QQTAGWYTIVFHFH-YMSBRDKKSA-N 614.436 4.802 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408848663 RTMMRQPXXLCUFF-JLKMOJGBSA-N 612.704 4.863 0 40 KJAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4CN(S(=O)(=O)c5ccccc5)CCN4S(=O)(=O)c4ccccc4)cc3)sc2c1 408866652 HOJBPJBJYTVGKS-MUUNZHRXSA-N 632.789 4.974 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409047240 LXZIOGDGSMGBHM-SFKHYTNKSA-N 728.561 4.613 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(SC)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409090062 OJLKSDCERHJTEO-RFZPLYKNSA-N 557.741 4.987 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3ccc(Sc4ncccn4)o3)c2=O)=N1 409099830 UJIZBJNZXUROSK-HVUZKSCUSA-N 641.569 4.884 0 40 KJAB 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542.953 4.894 0 40 KJAB CN1CCN(Cc2ccccc2OCc2ccccn2)CCOc2ccccc2Oc2ncccc2C1=O 643569534 IHZSKCWONDNPOA-UHFFFAOYSA-N 510.594 4.815 0 40 KJAB CCN1CCCCCCCCO[C@@H]2CN(C(=O)CCn3ccnc3C(C)C)C[C@H]2Oc2ccccc2C1=O 643582160 NEUBPXRJVQNUPD-KAYWLYCHSA-N 524.706 4.888 0 40 KJAB COc1cc2c(cc1OC)-c1cc(N(CC[C@@H](c3ccc(C)cc3)c3ccco3)C(C)=O)nc(=O)n1CC2 2112138 ZKGPISQJNPVVIH-QHCPKHFHSA-N 513.594 4.960 0 40 KJAB biogenic Cc1cccc(-n2c(SCCN3C(=O)c4ccccc4C3=O)nc3sc4c(c3c2=O)CC(C)(C)OC4)c1 2224587 WAYPGAYTUXHOLL-UHFFFAOYSA-N 531.659 4.995 0 40 KJAB FC(F)Oc1ccc([C@@H]2C=C(c3ccc(I)cc3)Nc3nnnn32)cc1OC(F)F 2919920 DKWIKARQKIADKU-ZDUSSCGKSA-N 533.223 4.537 0 40 KJAB CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4ccco4)C(=O)N23)cc1 2967921 AZFUPNOOJIQHLJ-RPWUZVMVSA-N 543.649 4.658 0 40 KJAB CC[C@@H](Sc1nc2ccccc2c2nc(CCc3c(C)n[nH]c3C)nn12)C(=O)Nc1ccc(OC)cc1 2969685 XWXVVHRFRRLKLW-HSZRJFAPSA-N 515.643 4.921 0 40 KJAB COc1cc([C@@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)cc(OC)c1OC 6074084 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4.536 0 40 KJAB COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)Cn2nnc3ccccc32)c(OC)c1 100363307 RGBDJANHHPHNKX-SSEXGKCCSA-N 541.652 4.586 0 40 KJAB O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@H]1N1CCN(C(=S)Nc2ccccc2)CC1)c1ccccc1 100826605 KKHYPVVPTANLBR-VSGBNLITSA-N 528.703 4.929 0 40 KJAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@]1(CC(O)=N2)C(=O)N(Cc2cccc(OC(F)(F)F)c2)c2ccccc21 101408901 OQLMHAFHGHZHKJ-SANMLTNESA-N 560.496 4.570 0 40 KJAB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccn3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N23)cc1 101590306 XJOPJYXYFWDENA-HEFUCBFLSA-N 555.590 4.863 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2cc(Br)cc(Br)c2O)C1=O)Nc1ccc(F)cc1 101972992 CGAUYOCCDVXXLA-NSIKDUERSA-N 530.169 4.731 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)c2c(C(=O)Nc3ccc(C(=O)OC)cc3)sc3nc(CCC)cc(=O)n23)cc1 102892900 PUYNMJDMZWOEDW-UHFFFAOYSA-N 590.658 4.957 0 40 KJAB Cc1sc2nc([C@@H](C)OC(=O)c3cc(S(=O)(=O)N(C)Cc4ccccc4)ccc3Cl)[nH]c(=O)c2c1C 103092196 ZIUGMQVSVHKQLX-OAHLLOKOSA-N 546.070 4.994 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 104677432 QJUAGAPOYQNNBN-CBYYHRJHSA-N 583.504 4.610 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 222533586 RYOSNTZLXBTBBO-PXDATVDWSA-N 551.709 4.859 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 222562749 WQSIGQDGJBPRFR-NDEPHWFRSA-N 570.155 4.827 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 222573277 FOLVYRQXQILWOC-OAQYLSRUSA-N 548.920 4.745 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 222741314 JBOJJPVWNGEFIS-HXUWFJFHSA-N 562.519 4.969 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCCO2 222748323 AOFLJQGNDXLZTF-MHZLTWQESA-N 518.629 4.942 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 222909428 KBMUHHDXQHNGEN-GDLZYMKVSA-N 549.737 4.873 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 223129661 SESNGWCPWGHIKE-XMMPIXPASA-N 639.943 4.693 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 223208905 RVRLJTWDZMBZLS-RUZDIDTESA-N 576.090 4.545 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 223263291 ODTKOUSMYJWYRV-NDEPHWFRSA-N 570.155 4.971 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 223304302 DPSDZHXAKCJPLM-AJTFRIOCSA-N 556.128 4.515 0 40 KJAB CC(C)CNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223325195 VLVDLTBGPOXXAN-SSEXGKCCSA-N 547.721 4.602 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 223387906 HKNLAZPYEJOFQC-AREMUKBSSA-N 620.997 4.953 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 223391940 OXERLMIXTWXUKF-LJQANCHMSA-N 542.529 4.710 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 223441799 HLJIQDFAKDSWNE-QHCPKHFHSA-N 540.101 4.747 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 223783870 ZIXYLLSVDJURTL-NRFANRHFSA-N 560.091 4.845 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)c2ccc(F)cc2)cc1 223904689 VFDDLZRAXMOXFD-UHFFFAOYSA-N 514.619 4.522 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223936072 VPXYDMLTENXREE-NRFANRHFSA-N 572.525 4.588 0 40 KJAB O=C(O)c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 223945854 BKJLMHUIAXLMPM-SXOMAYOGSA-N 525.634 4.584 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 223949228 KQXIAKPKPNUJEE-LJAQVGFWSA-N 565.736 4.923 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 224351904 MXSYZGYVXWOXQP-SANMLTNESA-N 578.081 4.551 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 224383500 PKRGCHAXUZHGNP-HHHXNRCGSA-N 600.579 4.690 0 40 KJAB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCc1cccc(CN2CCCCC2)c1 224648517 JTALCLMLFXQSEE-UHFFFAOYSA-N 512.075 4.838 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224804124 KVNITMFSGBXXFQ-NDEPHWFRSA-N 570.155 4.888 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 224856329 WQHWNHZODRJYFN-QHCPKHFHSA-N 556.556 4.956 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 224984993 HRVUFDCUWFNFHT-XMMPIXPASA-N 565.736 4.705 0 40 KJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 225054000 BDXNSWRLEMYPDD-QFIPXVFZSA-N 632.179 4.547 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 225211035 SXJOFTIIOXEQQG-AREMUKBSSA-N 662.205 4.903 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)c(Br)c(C)c1 225369158 SHAFFTYPWYQOIA-RTBURBONSA-N 505.453 4.785 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 225548710 SJVDJLANISDYMX-WIOPSUGQSA-N 515.720 4.607 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 225569468 MMYBGWHRWCEADG-GDLZYMKVSA-N 549.737 4.544 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)C)c1 260744195 NXIULGCAQMKUHC-JOCHJYFZSA-N 586.552 4.895 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c(C)c1 260884159 PCPWUPTZEVYFFZ-MUUNZHRXSA-N 614.606 4.997 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 260961062 LCDHYWJYOUPDHR-CVEARBPZSA-N 548.920 4.745 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 261085664 SAXRMIXABWGCKM-OUTSHDOLSA-N 567.727 4.763 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 261104388 WUMMNGLPNSPEBT-GIGWZHCTSA-N 623.772 4.525 0 40 KJAB Cc1cc(Br)ccc1NC(=O)c1cc2cc(Br)ccc2n1NC(=O)C(=O)NCc1ccc2c(c1)OCO2 408574932 DRPBNKXGGKPKHZ-UHFFFAOYSA-N 628.277 4.842 0 40 KJAB O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408598329 ZDEXMKZGNQMLCE-UHFFFAOYSA-N 545.627 4.508 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408628054 SFMMUJKGYDJXPM-UHFFFAOYSA-N 595.718 4.953 0 40 KJAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)OCC(=O)Nc4ccc(Br)c(Cl)c4)c3)C(=O)[C@@H]21 408682810 GZMDAFAKOAGGGW-DCZDKMHXSA-N 543.801 4.600 0 40 KJAB Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 408731575 LVFQQAYVGDFTGA-OPZARENCSA-N 513.933 4.899 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 408830568 SEVSBWQNJQNXDH-UMMPJKARSA-N 627.502 4.730 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 408983195 GBIMVVBTDZHLFY-DKOMQPSQSA-N 694.398 4.656 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(C)C)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409023608 IKWYYVSSRMFHNN-XSZPGNIMSA-N 522.692 4.555 0 40 KJAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 409024234 CCFJICUXOFPLDJ-UHFFFAOYSA-N 514.412 4.553 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Cl)cc(Br)c4O)c(=O)n32)cc1 409030095 CHFPDVVSARKNCO-WYWXSHKMSA-N 591.911 4.707 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(C)cc3)c2=O)=N1 409039116 QNJLEUHXHBJEOY-MGSPXPDISA-N 555.494 4.658 0 40 KJAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc(I)cc3)c(OCC)c2)C1=O 409048110 RNEZCZSLLVBAGA-UDWIEESQSA-N 567.401 4.868 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc(C)c3)C(C)C)n2C)sc(C(C)=O)c1C 409159100 ZDEKQVGOYZRBLS-OAQYLSRUSA-N 571.725 4.731 0 40 KJAB COc1ccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3ccc(Cl)cc3Cl)C(C)C)n2)cc1 409168776 NNPRVGMVLWAYGG-IBGZPJMESA-N 508.431 4.978 0 40 KJAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Br)c2)C1=O 409242130 MMPGEFKKKIMDCX-OEAKJJBVSA-N 595.425 4.700 0 40 KJAB COc1ccc(Br)cc1NC(=O)[C@H](OC(=O)c1ccc(C)cc1)[C@H](OC(=O)c1ccc(C)cc1)C(=O)O 409377190 GQUXNYIJDGPRJV-PKTZIBPZSA-N 570.392 4.549 0 40 KJAB COC(=O)C[C@H](c1ccc(OCc2ccccn2)cc1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O 524731820 LTXCXLSTAPANOY-GPNASLBKSA-N 570.598 4.998 0 40 KJAB biogenic CCN1CCOc2ccccc2CCCCC2(CCN(CC(=O)Nc3ccc(OC(F)F)cc3)CC2)C1=O 643555466 SXENHGQCTWELSF-UHFFFAOYSA-N 529.628 4.963 0 40 KJAB COc1cc([C@@H](CC(=O)NC2CCN(S(C)(=O)=O)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC 1547138997 YBWUSBCARZLPNQ-WXVAWEFUSA-N 716.850 4.668 0 40 KJAB biogenic CCN1CCOc2ccccc2CCCCC2(CCN(C(=O)C3CCN(c4nc(C)cc(C)n4)CC3)CC2)C1=O 2037884810 HXTNGQQUEZZEMV-UHFFFAOYSA-N 547.744 4.573 0 40 KJAB COc1ccc(CN(C(=O)[C@@H]2COc3ccccc3O2)[C@H](C(=O)NC2CCCCC2)c2ccco2)cc1 931070 APPHFDUWRNSKFH-SVBPBHIXSA-N 504.583 4.647 0 40 KJAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 3285173 USQHOASBLYTWPZ-OAQYLSRUSA-N 533.650 4.612 0 40 KJAB COc1ccc(N2C(=O)/C(=C\Nc3cc(Cl)ccc3N3CCN(C)CC3)c3ccccc3C2=O)cc1OC 3419041 BHLNNCXUXPROQQ-NKFKGCMQSA-N 533.028 4.749 0 40 KJAB O=C(CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12)N1CC=C(c2ccccc2)CC1 9968870 ZZJPFQGYWQOBCZ-UHFFFAOYSA-N 503.606 4.535 0 40 KJAB O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)Nc1ccc(Oc2ccccc2)cc1 12578997 JXVMXYKAXFUKFW-UHFFFAOYSA-N 514.987 4.712 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1 13024048 CTAIHNHUXYYALA-HHHXNRCGSA-N 529.641 4.836 0 40 KJAB CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2cccs2)c1 13031711 MYCAGCHVJMLKSS-AREMUKBSSA-N 503.628 4.632 0 40 KJAB CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cc(C)ccc2C)cc1 13148723 DGEMBHDNWDXPOI-UHFFFAOYSA-N 510.612 4.768 0 40 KJAB O=C(Nc1nc2ccccc2n1CCN1CCCCC1)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 17783146 LYSXKXNYHCKISL-YDXVBCDDSA-N 508.070 4.701 0 40 KJAB COc1ccc(CNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC 20011435 NRCZXJTZLDNPIL-UHFFFAOYSA-N 523.438 4.518 0 40 KJAB CCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)cc1Cl 20412635 JXZGWRHOUIYFEF-UHFFFAOYSA-N 523.486 4.824 0 40 KJAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3O2)cc1 30864816 CVHWPTUYBMRHAR-SQHAQQRYSA-N 508.640 4.864 0 40 KJAB O=C1N=C(O)N(c2cc(Cl)ccc2Cl)C(=O)[C@]12Cc1ccccc1N1CCN(c3ccccc3)C[C@@H]12 33429091 OPAXLTNMTZCRFY-KCWPFWIISA-N 521.404 4.719 0 40 KJAB COc1ccc(C)cc1NC(=O)c1cn(Cc2ccc(NC(=O)Cc3ccc(OC)c(OC)c3)cc2)cn1 49422142 TWXJZFMQEIWHLG-UHFFFAOYSA-N 514.582 4.699 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccccc3)cc2)cc1 59887455 KQLXILXMHQHWDS-UHFFFAOYSA-N 565.673 4.638 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1C 59929918 CARIJUVMVCOYFE-CYFREDJKSA-N 545.499 4.923 0 40 KJAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@@H](NC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(Cl)(Cl)Cl 72332834 DRALDEYSNGRUOW-OQNWFQSWSA-N 586.800 4.546 0 40 KJAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 97981293 BSVBNPLEZPHBTM-UHFFFAOYSA-N 553.131 4.817 0 40 KJAB CCOc1ccc(N2C(=O)[C@H](C)S[C@]23C(=O)N(CN2CCN(c4ccc(F)cc4)CC2)c2ccccc23)cc1 98003521 YLEGDBTXHWJUPB-URAOTHONSA-N 546.668 4.672 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCC)c(=O)n2[C@H]1c1ccccc1Cl 100298585 INBCWTOEVOJFIL-WLJFKGHSSA-N 561.885 4.613 0 40 KJAB CCOc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1OC 100366700 IZLMZUTUDWAIKW-GDLZYMKVSA-N 547.631 4.915 0 40 KJAB COc1cccc(-n2c(/C=C3/C(=O)N(C)c4ccccc43)nc3ccc(I)cc3c2=O)c1 100780930 FTQZARHACZKCSO-XMHGGMMESA-N 535.341 4.516 0 40 KJAB COc1ccc(NC(=O)[C@@H](c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 101387595 YEKNJUWOYUFHCI-WJOKGBTCSA-N 565.630 4.866 0 40 KJAB 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CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 223446512 CXURVNAGBHFILM-NEKDWFFYSA-N 570.155 4.969 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 223483912 VUYZYLIRBQWSCN-LJAQVGFWSA-N 567.727 4.765 0 40 KJAB O=C(NCCOc1cccc2ccccc12)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 223542729 TXOLHJZLWWOGDH-AREMUKBSSA-N 523.010 4.645 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 223640953 GCHOITLIOHKNQN-GDLZYMKVSA-N 595.762 4.930 0 40 KJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2c(C)[nH]c(C)c2I)cc1 223748462 BYPASFLRFUNITI-VQTJNVASSA-N 504.397 4.817 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223761835 RUJSBOXUFXNCJC-LJAQVGFWSA-N 579.763 4.535 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 223896249 QFFJFMQSTVLFTE-ZDUSSCGKSA-N 555.311 4.620 0 40 KJAB 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Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c1 8449748 RQWAXWOMMIKPTP-DQXSBBCTSA-N 637.324 4.935 0 40 KJAB Cc1ccc([C@@H](C(=O)NCc2ccco2)N(C(=O)CNC(=O)c2cccs2)c2cccc(F)c2)cc1 12487910 QGURGCICIKEUEG-VWLOTQADSA-N 505.571 4.609 0 40 KJAB C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 13014757 XZRKZTXNEKNSQB-SFHVURJKSA-N 513.641 4.723 0 40 KJAB COc1ccc(CCNC(=O)Cn2c(C(=O)OC(C)C)cc3c2ccn3-c2ccc(F)cc2)cc1OC 13565046 VFMJJBWTMSUSIJ-UHFFFAOYSA-N 507.562 4.512 0 40 KJAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccc(Cl)cc2Cl)ccc1C 14357057 BRIFZUFTFDLMPN-ONOODXEBSA-N 513.443 4.916 0 40 KJAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1 59836489 HZETVBSTEKMRDS-GOSISDBHSA-N 533.046 4.747 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)c2ccc(C)cc2)cc1 59884031 WJVKOXKHBBDSLU-UHFFFAOYSA-N 625.725 4.656 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1 59953557 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CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 225363450 HUOJOGRSCIYSQB-RUZDIDTESA-N 548.149 4.713 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C)S(C)(=O)=O 225378829 BHEMMTROLWAWSE-MUUNZHRXSA-N 570.155 4.971 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 225385479 YPROOMLTKUVKFN-QFIPXVFZSA-N 542.101 4.624 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225559253 IZIBCICWCHZPHL-KWXIBIRDSA-N 594.550 4.647 0 40 KJAB O=C(CC1(COc2ccccc2)CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)N1CCCCC1 257343917 ZUXXPKWXYUYMKZ-UHFFFAOYSA-N 524.605 4.958 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 260782075 KMINHNFODHZEPL-XMMPIXPASA-N 563.720 4.675 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 260865822 AIDQHDGDQJNKBR-IGKIAQTJSA-N 529.747 4.614 0 40 KJAB 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KJAB COc1ccc([C@@H](C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccccc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 8695851 DHUNZMCJEQCSSM-HKBQPEDESA-N 576.653 4.699 0 40 KJAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)ccc1C 12542236 KIARDLJHFRJMCC-DEOSSOPVSA-N 501.693 4.716 0 40 KJAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 12653067 PJURYWFBJJAPMX-CLJLJLNGSA-N 502.611 4.593 0 40 KJAB biogenic COC(=O)[C@H](Cc1ccccc1)NC(=O)CO/N=C1\C=C[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 12661331 DDHZWPSFJDFKDR-DJMISNODSA-N 534.697 4.749 0 40 KJAB biogenic COc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2cccc(C(C)=O)c2)cc1 13030647 GEVUZDYHILKBJA-GDLZYMKVSA-N 527.625 4.579 0 40 KJAB Nn1c(SCc2nnc(-c3ccccc3Br)o2)nc2scc(-c3ccccc3)c2c1=O 13095155 OOCQRKTXCMWYBJ-UHFFFAOYSA-N 512.414 4.944 0 40 KJAB CCOc1cc(-c2nn(CN3CCN(c4ccc(F)cc4)CC3)c(=S)o2)cc(OCC)c1OCC 13527672 ZHRXTDGFGNGDRM-UHFFFAOYSA-N 502.612 4.987 0 40 KJAB COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2)cc1Br 22832530 AWUXYWWFAVGNHC-UHFFFAOYSA-N 508.416 4.981 0 40 KJAB Cc1ccc(C)c(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2cc(C(F)(F)F)ccc2Cl)c1 59671418 HYAJTVLLEPMYKA-PKOBYXMFSA-N 532.009 4.689 0 40 KJAB COc1ccc(Cc2nn3c(=O)/c(=C/c4cn(-c5ccccc5)nc4-c4ccc(OCC(C)C)c(C)c4)sc3nc2=O)cc1 97946748 FQUWDSXTRKCUES-YKQZZPSBSA-N 605.720 4.854 0 40 KJAB O=C(C[S@@](=O)CC(=O)N(c1ccc2c(c1)OCO2)[C@@H](C(=O)NC1CCCCC1)c1cccs1)Nc1ccc(F)cc1 100285585 ASRRPWDFVKODKQ-PWOCEFKDSA-N 599.706 4.527 0 40 KJAB Cc1cccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1C 100289272 KGCDKHJZFKKUCV-SANMLTNESA-N 532.645 4.991 0 40 KJAB Nc1c(C(=O)NC2CCCCC2)nsc1C(=O)N(Cc1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 100294283 IBCVVSVJRIOQLB-RUZDIDTESA-N 567.687 4.962 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(OC(F)F)cc3)c2=O)=N1 100870472 ZHWLNRNDTKCSAT-NLZIUFDSSA-N 535.547 4.614 0 40 KJAB 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CCOC(=O)CN1C(=O)S/C(=C/c2cc(OCC)c(OCC(=O)Nc3ccc(F)cc3)cc2Br)C1=O 408916876 HUZKMAOREPANJN-KEBDBYFISA-N 581.416 4.604 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OC)c(=O)n2[C@H]1c1ccccc1OC(C)C 408938257 LCQQIRKTNQGNRE-JUTHHCEFSA-N 697.389 4.961 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C/c3ccc(OCC(C)C)cc3)c2=O)=N1 409017391 NWZKIBMQBSGSMQ-OCEWKHMESA-N 529.687 4.970 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409030690 FFSXWGBCKPNVTP-PQNXSAFSSA-N 707.201 4.990 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccccc4)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409031760 AYMVUUKILYLYTA-CTHKJOMYSA-N 628.703 4.541 0 40 KJAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c2=O)=N1 409037752 NKFLLIZDUKSBLN-DLBLZJNESA-N 504.995 4.712 0 40 KJAB CCc1cccc2c(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cn(CC(=O)NC[C@H]3CCCO3)c12 409125112 JBXGBNKLLGYWBO-UTKDAVAPSA-N 503.624 4.735 0 40 KJAB 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4.930 0 40 KJAB CC[C@H](c1nnnn1Cc1ccco1)N(CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O 1374325 MMIBEOYNELAZBR-AREMUKBSSA-N 542.640 4.678 0 40 KJAB CCOC(=O)c1sc(NC(=S)NC(=O)c2cc(Br)ccc2Cl)c(C(=O)OCC)c1C 2052371 LVCBIBZNVVZYBS-UHFFFAOYSA-N 533.853 4.953 0 40 KJAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(CN2CCN(c3ccc(F)cc3)CC2)c1 2110104 AYLWCNKBMCMEMF-GDLZYMKVSA-N 500.618 4.882 0 40 KJAB biogenic CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)sc(C(=O)N(CC)CC)c1C 12540930 JAOQFFYDBRQYKW-UHFFFAOYSA-N 514.522 4.530 0 40 KJAB COc1cccc(NC(=O)CSc2nc([C@H](NC(=O)c3ccc(Cl)cc3Cl)C(C)C)n[nH]2)c1 12629894 NTCNSXQNCAUZRW-LJQANCHMSA-N 508.431 4.978 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccc(C)cc2)cc1 15320136 WKCCTSMOZPUCGS-RUZDIDTESA-N 515.566 4.547 0 40 KJAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 15880238 MCZWPXVLJTZXNA-JOCHJYFZSA-N 524.712 4.907 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2ccc(C)cc2)cc1Br 22278792 DITGGADYKQOWEB-UHFFFAOYSA-N 503.418 4.909 0 40 KJAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)cc1C 23075079 CLUBOOHTIWAOQQ-UHFFFAOYSA-N 516.667 4.914 0 40 KJAB CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1C(=O)N1CCCCCC1 26120315 DKJNTGAGELHMIV-UHFFFAOYSA-N 527.668 4.749 0 40 KJAB Cc1ccc2nc(-c3ccc(NC(=O)c4cc(S(=O)(=O)N5CCOCC5)ccc4F)cc3)sc2c1 33744526 XSUOXTXWKNDCGL-UHFFFAOYSA-N 511.600 4.684 0 40 KJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 33748376 INOYBRCYHVFHBL-RFLWCCGPSA-N 513.656 4.594 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 59444175 AOBJJTIYICTDGJ-UHFFFAOYSA-N 504.992 4.508 0 40 KJAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(Cl)cc2Cl)cc1Cl 59834008 LFZQWLQNYSWAMA-OAQYLSRUSA-N 527.857 4.861 0 40 KJAB COc1ccc([C@@H](C)NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1OC 59835954 LOCWEKSYTREZJO-LJQANCHMSA-N 561.498 4.843 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(C)(=O)=O)cc2)cc1 59882251 DFSBLCJXGUXQOW-UHFFFAOYSA-N 592.017 4.573 0 40 KJAB O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 60018224 BXJXWUCSNVXJOP-UHFFFAOYSA-N 531.049 4.916 0 40 KJAB COc1ccc2nc3n(c2c1)[C@@H](CN(Cc1ccc(NC(C)=O)cc1)Cc1ccc(NC(C)=O)cc1)COC3 96112418 IOSNPNVQDSTVCJ-SANMLTNESA-N 527.625 4.735 0 40 KJAB biogenic,in-vitro COc1ccc(Cc2nn3c(=O)/c(=C/c4cn(-c5ccccc5)nc4-c4ccc(OCCC(C)C)cc4)sc3nc2=O)cc1 97946850 OMWMEUYDUOAKNV-COEJQBHMSA-N 605.720 4.936 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccccc3)c(=O)n2[C@H]1c1ccc(F)cc1 100206883 YOCUZLVQNQOOQU-CSJROMOCSA-N 528.605 4.516 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OCC)c(OC)cc3Br)c(=O)n2[C@@H]1c1ccc(Cl)cc1 100263396 UCRAZBDOHSRMKX-YOKWNPFVSA-N 591.911 4.622 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 100534162 NCAZWOAZNPFENQ-UPWSPCOFSA-N 589.069 4.759 0 40 KJAB O=C1N[C@@H](c2ccc(-c3ccc(Br)cc3)o2)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 101786952 ZLHGPYDCTXLOSU-TXPKVOOTSA-N 515.307 4.875 0 40 KJAB CC(=O)c1cccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)c1 102094464 NYIVOBIVRUXNOL-UHFFFAOYSA-N 537.590 4.500 0 40 KJAB COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)/C(=C\Nc3cccc(O)c3)c3ccccc3C2=O)c1 102889146 VBCZNONIPGHUCD-BWAHOGKJSA-N 541.585 4.842 0 40 KJAB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)Nc3ccc(Oc4ccccc4)cc3)C2=O)cc1 103136656 VASAHXPQXNNYRG-UHFFFAOYSA-N 537.572 4.930 0 40 KJAB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4cc(I)ccc4Cl)c3)nn12 104243676 CVTJZCDCVZFXRK-UHFFFAOYSA-N 539.786 4.934 0 40 KJAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccccc3C(C)C)c(OCC)c2)C1=O 205687048 DJQWQPQZPBOPTB-OEAKJJBVSA-N 526.611 4.826 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 222563240 BYCPHQFFDQEHPM-LJAQVGFWSA-N 579.763 4.572 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 222806134 YLHWQEXBXVWGSA-MHZLTWQESA-N 618.569 4.767 0 40 KJAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)c(Cl)c1 222842094 QARGRXFGMFLPQA-UHFFFAOYSA-N 612.557 4.841 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 222880863 NSGOXJJWMILMRF-NRFANRHFSA-N 557.663 4.801 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 222992960 MXLFBUGDHSDXLK-JEAUEKKMSA-N 565.780 4.782 0 40 KJAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1OC 223033843 JDEMITDKKWKHNY-MHZLTWQESA-N 512.606 4.796 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 223126568 UEJGOYGVGTYWBJ-RUZDIDTESA-N 546.064 4.536 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 223150458 FUKMWJUKVBTYND-QFIPXVFZSA-N 602.153 4.886 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 223290710 BZIKQWAZELGGNZ-XMMPIXPASA-N 566.482 4.881 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223356158 LNWJYVPASRWFBG-NRFANRHFSA-N 578.946 4.755 0 40 KJAB COc1cccc(OCCNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 223753062 SPXPHDNLJXRQEV-UHFFFAOYSA-N 516.619 4.900 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 223784163 VPPCVRANNURPHK-NRFANRHFSA-N 560.091 4.845 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 224040100 GBPBRYACXNMCSM-MUUNZHRXSA-N 570.155 4.889 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 224083514 CXUOLIWNFPLIAC-NDEPHWFRSA-N 570.155 4.889 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 224183445 WJJLAEMOSBLNIV-VWLOTQADSA-N 565.736 4.697 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)c1 224183783 QFZZNMITPAOBNP-VWLOTQADSA-N 595.762 4.705 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 224478540 AGYZQZIQSOSVGL-DEOSSOPVSA-N 612.576 4.787 0 40 KJAB COc1cc2c(cc1OC)N(Cc1ccccc1F)S(=O)(=O)C(C(=O)NCCOc1ccc(C)c(C)c1)=C2C 224594656 ITNXZBNJXYGWSU-UHFFFAOYSA-N 554.640 4.736 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 224609696 BYWSVAKFFCSESX-HSZRJFAPSA-N 542.529 4.647 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC(C)C)c2ccc(F)cc2)cc1 224692258 UWFUHCIKEBQIHO-FQEVSTJZSA-N 620.541 4.734 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 224718356 SJUBMOQERCFVGM-OAHLLOKOSA-N 612.896 4.829 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 224742245 MIIGRQVNYWMVQW-HHHXNRCGSA-N 553.700 4.909 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 224748587 CZAJARARGXDZHV-MUUNZHRXSA-N 613.752 4.926 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 224827240 ARXNJBXRXZFGPJ-OAHLLOKOSA-N 568.445 4.722 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 224985477 CZRDDSPGCJHFGF-JOCHJYFZSA-N 616.578 4.905 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Br)cc1 225023422 CSRRBCGCOIKWPX-JOCHJYFZSA-N 646.604 4.995 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 225369967 LWLYHADOXZHVOO-MUUNZHRXSA-N 611.761 4.550 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 225438908 PIWVBUZVSBJCKD-XZOQPEGZSA-N 586.154 4.918 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 225458521 HWLHFHWNQHBOBM-DEOSSOPVSA-N 535.710 4.695 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC)S(=O)(=O)c2ccc(C)cc2)cc1 225477248 LITNBLDQNBGFKG-NRFANRHFSA-N 602.551 4.515 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 225507582 AXXSWGAIWIDGFB-XMMPIXPASA-N 582.044 4.511 0 40 KJAB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1)Nc1ccccc1 225537065 ZYMGRUINCSSBSX-UIOOFZCWSA-N 556.600 4.739 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 225596654 XHLWLVFFPJCDFQ-VGOFRKELSA-N 542.529 4.790 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 260745357 BRJYMCFBZXMNHC-HSZRJFAPSA-N 553.700 4.970 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](CC)C(=O)NC)S(=O)(=O)c1ccccc1 260855974 HSYSZYYIGVIUGN-RUZDIDTESA-N 542.101 4.651 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](CC)C(=O)NCC(C)C)S(C)(=O)=O)cc1 260870756 FCOUKCXRFWHDFY-XMMPIXPASA-N 556.556 4.901 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 260913943 GAOWFBFPRJAHPQ-SVEHJYQDSA-N 549.737 4.955 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@H](C)c3ccc4c(c3)CCC4)Oc3ccc(Cl)cc32)cc1 260937183 PLZSWRFFOQXNID-DWXRJYCRSA-N 511.043 4.971 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 260983100 OLUXXZSJUOQVOK-IADCTJSHSA-N 583.726 4.893 0 40 KJAB O=C(Nc1ccccc1F)C(=O)Nn1c(C(=O)Nc2ccccc2F)cc2cc(Br)ccc21 408573549 DJCSUSKPSCJIDP-UHFFFAOYSA-N 513.298 4.643 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(OC)c(OC)c3)c(Cl)c2)cc1 408635757 INGDPIOCKILURK-UHFFFAOYSA-N 520.991 4.574 0 40 KJAB COc1cccc(NC(=O)CCN2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408650628 GACODDLVUGCVMN-OJKWPBSESA-N 521.400 4.617 0 40 KJAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)CC2)c1 408677448 CVLUWRHUPREBEZ-QFIPXVFZSA-N 519.667 4.667 0 40 KJAB CC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C[C@H]5c5ccccc5)[C@H]4C3=O)c2)cc1 408689632 SJRZVXSMOSQYHA-BAMRGEIVSA-N 536.584 4.614 0 40 KJAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1)Nc1cc(C(F)(F)F)ccc1Cl 408691463 ZZFQYIOKZSPWTM-CALCHBBNSA-N 508.880 4.834 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(F)cc3)c(=O)n2[C@@H]1c1cccs1 408770291 VSAFGXANNXOMNQ-LWUPDDLQSA-N 534.634 4.578 0 40 KJAB Cc1cc2nc3s/c(=C\c4ccc(OCc5ccc(C(=O)O)cc5)c(I)c4)c(=O)n3c2cc1C 408789326 JBMQBRWGUQZSRE-FMCGGJTJSA-N 582.419 4.956 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Br)c3O)c(=O)n2[C@H]1c1ccccc1OC(C)C 408836498 RWEUREQBSYYOOD-WYWXSHKMSA-N 591.911 4.707 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 408996222 LOJOHIDPYDPKCE-LRUGRNCASA-N 724.573 4.873 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 409021558 NJQAXYRLGXPGJI-FCVOFCDTSA-N 800.624 4.715 0 40 KJAB CCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 409082101 RQGBTASFHGOSMD-QYTZQGLJSA-N 539.657 4.671 0 40 KJAB CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C 409125295 JRIDYFUDVDJHOI-JOCHJYFZSA-N 554.742 4.504 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409172771 INSOKARUHSLBGX-UHFFFAOYSA-N 535.018 4.517 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc1OC 409179188 NPIBPASGUOKTIN-RGVLZGJSSA-N 624.453 4.534 0 40 KJAB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OC(C)C)c(Br)c2)C1=O 409273937 AMBWKLNCLTYVSU-ODLFYWEKSA-N 505.390 4.920 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Br)c1OCc1cccc(C(=O)O)c1 409381007 QSVITZRSEIIRAP-BKUYFWCQSA-N 589.464 4.784 0 40 KJAB CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(C(C)C)n1 604405973 VIJSGYLZHXBSLZ-DCMIEBIUSA-N 606.724 4.570 0 40 KJAB biogenic C[C@H](COc1c(F)cccc1Oc1cccc(Cl)c1)NC(=O)[C@@H]1CC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1 643550510 AWOURGPUIQYMAD-XGJRVREISA-N 717.194 4.922 0 40 KJAB 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537.888 4.664 0 40 KJAB CC(C)(C)C(=O)/C=c1\s/c(=C\c2ccccc2OCc2ccccc2)c(=O)n1CC(=O)NC1CCCCCCC1 97982263 FCWPUGARUMQXOD-ZMOCYTIESA-N 560.760 4.942 0 40 KJAB COc1cc2nc(-c3ccc(N4C(=O)c5ccc(-c6nc7cc(OC)c(OC)cc7c(=O)o6)cc5C4=O)cc3)oc(=O)c2cc1OC 98002555 PFHMSXRHUHFZCX-UHFFFAOYSA-N 633.569 4.858 0 40 KJAB C[C@H]1CN(c2ccc(Br)cc2)c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C1 101077536 XQIAUQWQPKPUGN-KRWDZBQOSA-N 530.426 4.649 0 40 KJAB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4OC)[C@H]3C2=O)cc1 101107736 USMLGOCMAVDZAG-PFBJBMPXSA-N 518.566 4.552 0 40 KJAB COc1cccc(CN2c3ccccc3-c3nc(SCC(=O)Nc4ccccc4C)ncc3S2(=O)=O)c1 101272385 SRFSAHGJFKEMAU-UHFFFAOYSA-N 532.647 4.900 0 40 KJAB Cc1c(N[C@@H](/C=C/c2ccccc2)CC(=O)c2c(O)c3ccccc3n(C)c2=O)c(=O)n(-c2ccccc2)n1C 102489249 QINSYVCVFIQIQE-AWXSUDRSSA-N 534.616 4.809 0 40 KJAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 102986491 HHOBEEHFCHDCES-GOSISDBHSA-N 562.113 4.579 0 40 KJAB 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224683983 FZFZBRPAUSGBHG-QHCPKHFHSA-N 539.673 4.581 0 40 KJAB Cc1cc(Cl)ccc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 224770331 CRXXWGQSMLILDR-IBGZPJMESA-N 554.540 4.934 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 224822227 DBSWRWKNCRCQHK-NRFANRHFSA-N 560.091 4.926 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 225108932 CKWDWIOACKEPFR-NDEPHWFRSA-N 535.710 4.832 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 225110917 KJRHWEBKIFYAAJ-NDEPHWFRSA-N 595.762 4.850 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225249123 NTLXFIAFJJGRBM-HSZRJFAPSA-N 542.529 4.873 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 225464109 ABKGSPBQXHLPAP-WXVAWEFUSA-N 539.673 4.743 0 40 KJAB CC(C)Sc1nnc(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)s1 225590885 QWRAOOWCAAXDRN-UHFFFAOYSA-N 527.491 4.635 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)[C@@H](C)C(=O)NC(C)C)c1 225656940 MNMYGKCWCQGQJS-NRFANRHFSA-N 648.178 4.512 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225673286 QSIXHAUHSSYWGI-LJQANCHMSA-N 542.529 4.729 0 40 KJAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCc3cc(Br)ccc32)cc1 225999355 IAWSQGYSHVNJNC-UHFFFAOYSA-N 513.457 4.580 0 40 KJAB CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2c(C)ccc(C)c2nc1O)C[C@H]1CCCO1 253500454 OUXVIZXLAORCHT-ILBGXUMGSA-N 504.610 4.863 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](CC)C(=O)NC)S(=O)(=O)c1ccc(SC)cc1 260860647 PCUGJCNDELZASV-AREMUKBSSA-N 583.776 4.864 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 260957237 GPGNYHZHEAHDCV-WJOKGBTCSA-N 591.774 4.940 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 260983236 BHEHNDWERTYYNB-LXFBAYGMSA-N 570.155 4.969 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1C 408554129 ZRCZMVXGYCZLAC-UHFFFAOYSA-N 556.128 4.548 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)n2CC)sc(C)c1C 408639778 ZFOUQMJKXMDMPO-UHFFFAOYSA-N 501.634 4.509 0 40 KJAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1 408706085 UZRIUVHGFNFTOP-HNNXBMFYSA-N 505.390 4.665 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cc(Br)c(O)c(OC)c3)c2=O)=N1 409034264 NALKAXPQIJYTMN-NWKGEQBZSA-N 666.388 4.826 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(OC)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409089906 PBWGILHUNDLPJX-ABBNRAPFSA-N 546.092 4.919 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Sc4ncccn4)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 409103125 AVBRGYMCKYCELV-JCAJYURWSA-N 647.960 4.757 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)o1 409399886 LUNTZOACTVUEQB-NDENLUEZSA-N 511.328 4.501 0 40 KJAB COc1ccccc1CC(=O)N1CCCC[C@@H]2CN(c3ncc(C(=O)O)c(CCc4ccc(Cl)cc4)n3)C[C@@H]21 585266127 MNGFFEHWYPRCNR-GJZUVCINSA-N 549.071 4.682 0 40 KJAB CC(=O)NC1CCN(C(=O)C[C@]2(COc3cc(C)c(Cl)c(C)c3)CN(Cc3cccc(Cl)c3)CCO2)CC1 585283163 CVCSXMNYOBMDNN-GDLZYMKVSA-N 562.538 4.777 0 40 KJAB CC(C)N1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cc(-c4cccc(F)c4)no3)CCO2)C1=O 643556507 KYIKQDNIQMQWOA-PMERELPUSA-N 535.616 4.734 0 40 KJAB COc1ccc(CCN(Cc2ccccc2F)C(=O)COc2ccc(Cl)cc2C(=O)O)cc1OC 2037854333 RJUWINOLALDGFC-UHFFFAOYSA-N 501.938 4.845 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 2185724 IYYKIQYEEPQKFF-GELNIQQISA-N 562.647 4.803 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N(Cc3cccc(OC)c3)C[C@@H]3CCCO3)cc2c1 6197943 HCHYHIURFAWQGM-WNJJXGMVSA-N 542.684 4.971 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccc(OC)c(OC)c2)cc1 8713042 FSEDRFXZOPVZCP-YTTGMZPUSA-N 609.639 4.595 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1ccc(Cl)cc1 9348402 MUUKIXLVDDEOJI-FIWMFUAISA-N 507.036 4.651 0 40 KJAB Cc1ccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1S(=O)(=O)N1CCCCC1 12565096 PSSJHKYJCYQIPU-UHFFFAOYSA-N 506.624 4.561 0 40 KJAB COc1cc(OC)cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccc(C)cc2)c1 12712603 DWHGKEAPCYPINL-LJAQVGFWSA-N 529.641 4.694 0 40 KJAB COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N(Cc1ccc(Cl)cc1)Cc1ccco1 19973113 MANOXEJDGALWPD-VWLOTQADSA-N 519.005 4.508 0 40 KJAB Cc1cc(C)c2[nH]c(=O)c(CN(CCc3ccccc3C)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 20109434 IBTJPXKPGQMBSZ-UHFFFAOYSA-N 510.617 4.872 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2)c2cc(C)cc(C)c2)cc1OC 20239449 JEFZJIMXDQTGHG-UHFFFAOYSA-N 528.696 4.566 0 40 KJAB COc1ccc(-c2noc(CN(C3CCCC3)S(=O)(=O)c3cc(Cl)ccc3OC)n2)cc1OC 22256756 GQVVLBJFYIAGTA-UHFFFAOYSA-N 507.996 4.549 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2ccnc2)c2cc(Cl)ccc2C)cc1 22431845 WNFADZRLJVFJKI-UHFFFAOYSA-N 509.031 4.654 0 40 KJAB CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)CC(C)C)cc3Cl)CC2)cc1 22842028 ZPQMDMFCBWJWLW-UHFFFAOYSA-N 517.095 4.950 0 40 KJAB O=C(CC[C@H]1N=C2c3ccccc3N=C(SCc3cc(F)cc4c3OCOC4)N2C1=O)NCc1ccccc1 33356285 NYYDECWBUIRMKA-XMMPIXPASA-N 544.608 4.681 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c2ccc(C(C)C)cc2)cc1 59923548 PSLVFMZFGOHGBR-UHFFFAOYSA-N 593.731 4.852 0 40 KJAB COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NC[C@@H]5CCCO5)cc4)C(=O)N32)c1 70705140 LUPIJGJTRGHNFU-MYELJEHHSA-N 550.615 4.568 0 40 KJAB biogenic COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@@]21C)[C@@]1(C)CC[C@@H](OC(C)=O)C[C@H]1C[C@H]3OC(C)=O 82022375 GVIZCQOBODPSLY-ZNYVGMLLSA-N 504.664 4.887 0 40 KJAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)N(CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)O)Cc1ccccc1 100012794 AMLKSPVGNFTLOD-KMKVIZFGSA-N 548.680 4.826 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(C(=O)c1cnccn1)c1ccc(S(=O)(=O)NC2CCCC2)cc1 100273377 QCRXJKAVEAEPQW-SANMLTNESA-N 567.737 4.596 0 40 KJAB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc(I)ccc1Cl 100320683 RNVLGTMFLWAHKJ-UHFFFAOYSA-N 569.774 4.927 0 40 KJAB CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 100371691 HQZNXLFUDLPSHX-IGKIAQTJSA-N 560.699 4.524 0 40 KJAB Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 101262195 POJOHIZICTWFIB-XQNUDUSMSA-N 524.326 4.752 0 40 KJAB COc1ccc(N2C(=O)NC(=O)/C(=C(\NCCc3c(C)[nH]c4ccc(OC)cc34)c3ccc(C)cc3)C2=O)cc1 101380847 YQHBBGHSHGMAQW-BYYHNAKLSA-N 538.604 4.628 0 40 KJAB O=C(CCCCCn1c(SCC(=O)c2ccc(F)cc2)nc2cc3c(cc2c1=O)OCO3)NCc1ccc2c(c1)OCO2 102755782 MKQXVUFEQYPBMY-UHFFFAOYSA-N 605.644 4.845 0 40 KJAB COc1ccc(OC)c(NC(=O)[C@@H]2SC(Nc3c(C)cccc3C)=C(C(=O)N3CCCCC3)C2=N)c1 102818252 DKHVCESFKQBBJM-XMMPIXPASA-N 508.644 4.731 0 40 KJAB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@@H]3C2=O)cc1 102888615 DBDWNCIYSTXCGQ-NHKHRBQYSA-N 550.567 4.974 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)c(=O)cc1[C@@H](NC(C)=O)CC2 108448145 JXUCBKUMVAOMPL-QWDBSJBPSA-N 621.800 4.725 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC 163631650 KKYJNYZGVHVOJC-JUTHHCEFSA-N 666.388 4.739 0 40 KJAB CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc24)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1OCC 164302048 XGSBAPQXCWJNAM-MKOZVTOYSA-N 684.689 4.843 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Br)cc4)CC3)cc2)cc1 197986337 HYJMOLJKMSUMGG-UHFFFAOYSA-N 636.590 4.829 0 40 KJAB COc1ccc(Cn2c(SCC(=O)Nc3cc(Cl)c(OC)cc3OC)nc3ccsc3c2=O)cc1 206593220 MQFWKEANIYHFCH-UHFFFAOYSA-N 532.043 4.916 0 40 KJAB COc1ccc([C@H](CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)N(C)S(=O)(=O)c2ccccc2)cc1 216510082 YDFOTZCDASJEGS-MHZLTWQESA-N 542.101 4.758 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 222376130 IEMYZHVQYYEKPO-QFIPXVFZSA-N 542.101 4.624 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 222600533 GWJHBLSVGUQNSN-AZGAKELHSA-N 529.747 4.614 0 40 KJAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)COc4ccc(S(=O)(=O)Nc5ccc(F)cc5)cc4)cc32)cc1 222714428 SPZTYLHWIABYGZ-UHFFFAOYSA-N 575.618 4.856 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(-c3ccccc3)s2)c2cc(C)cc(C)c2)cc1OC 222885933 VIFOJEQVEBCNFL-UHFFFAOYSA-N 538.651 4.673 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 223051139 KAPTXTUUVDNJDV-VWLOTQADSA-N 565.736 4.923 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccccc2)cc1 223109412 YHSUSMWZRCQGJE-GOTSBHOMSA-N 553.700 4.915 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 223110799 LZZADVLYEDSGEV-RUZDIDTESA-N 542.101 4.706 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 223613297 CTVJSZUOHHTZBM-QHCPKHFHSA-N 583.776 4.864 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O 223702634 NFGYAKMFACRURE-VWLOTQADSA-N 580.509 4.675 0 40 KJAB Cc1ccc(CN(C(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1 223813498 DVPBPFNYFHCEEI-QFIPXVFZSA-N 548.149 4.979 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccccc1 223847608 JUPKFSHIDPRHGT-JOCHJYFZSA-N 539.673 4.527 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224235440 UIRLJWDKMDQEIX-NDEPHWFRSA-N 549.737 4.624 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 224240861 QRLOPEBWFWWONR-LJAQVGFWSA-N 563.764 4.878 0 40 KJAB O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 224358894 LYQLAPIIUPRFCL-UHFFFAOYSA-N 502.011 4.645 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 224360227 JAAXOIZSLIUVGX-MHZLTWQESA-N 556.128 4.980 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O 224414192 SEUIOXJJDGKKAJ-QGZVFWFLSA-N 518.441 4.559 0 40 KJAB 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541.342 4.662 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)ccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 409191097 SFUBYKVZXVDCOW-AQIZGWBQSA-N 581.021 4.637 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C1=O)Nc1ccc2c(c1)OCCO2 409204980 MSEXZDSOIPSYLK-PCLIKHOPSA-N 532.574 4.591 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2ccc(I)o2)C1=O)c1ccc(Br)cc1 409224305 JYZVIGQBOARRJG-QPEQYQDCSA-N 518.126 4.566 0 40 KJAB COc1ccccc1CC(=O)N1CCCC[C@H]2CN(c3ncc(C(=O)N(CCOc4ccccc4)CC(=O)O)c(CCc4ccccc4)n3)C[C@H]21 585268008 UEJWTQVRTYKFON-MFACQUFMSA-N 691.829 4.936 0 40 KJAB CN(Cc1ccccc1)C(=O)C[C@@]1(COc2ccc(Cl)cc2)CN(C(=O)CCOc2cccc(F)c2)CCO1 585284662 HWPAVLKYAJMOQV-PMERELPUSA-N 555.046 4.973 0 40 KJAB CC(=O)N1CCCN(c2ncccn2)CCN(C(=O)c2ccc(Cn3ccc4ccccc43)o2)Cc2ccccc21 618017204 HHVHFQDYMNRJBW-UHFFFAOYSA-N 548.647 4.978 0 40 KJAB CC(C)N1CC(=O)NCCCCCOc2ccc(CCC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2C1 643577168 HXNHSISBFDGNFG-UHFFFAOYSA-N 545.728 4.791 0 40 KJAB 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KJAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)COC(=O)Cn1c(C(F)(F)F)nc3ccccc31)CC2 50861114 SFPDZKFLLBKGDR-MHZLTWQESA-N 553.537 4.790 0 40 KJAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(Br)cc2)CC1 59836848 LMPYEOPKQSKYQI-OAHLLOKOSA-N 529.884 4.779 0 40 KJAB CCc1cc(C(=O)OC)c(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2Cc2cccnc2)s1 97945470 KNLVCZJTRJDYOP-UHFFFAOYSA-N 528.681 4.659 0 40 KJAB COc1ccc(OC)c([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c2ccccc2)c1 100329515 XPKVYANAZDYUNG-SANMLTNESA-N 563.058 4.700 0 40 KJAB CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(CC)Cc4ccccc4)cc3)n(C)c12 100820416 VFMPYHLGFSGFFC-RQZHXJHFSA-N 509.653 4.590 0 40 KJAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccc(F)cc2)c1 100850104 SOJJHCFALAGPTG-REWPJTCUSA-N 580.616 4.887 0 40 KJAB CCOC(=O)C1=C(COC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)NC(=O)N[C@H]1c1ccco1 102220555 ZXXWFMAPRYLHAO-CHGQMLAJSA-N 568.586 4.569 0 40 KJAB O=C(CSc1ncc2c(n1)-c1ccccc1N(Cc1ccccc1)S2(=O)=O)NCc1ccc(Cl)cc1 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CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 225427926 SCLWUEBKRQMQPJ-SANMLTNESA-N 586.154 4.920 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 225510044 RDNKOARHEIKWJR-LJAQVGFWSA-N 667.569 4.873 0 40 KJAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccc(Cl)cc3)n2)cc1 225795247 HUSQPPVWMJKCDZ-UHFFFAOYSA-N 557.053 4.692 0 40 KJAB Cc1ccc(CN(CC(=O)N2c3ccccc3C[C@@H]2C)S(=O)(=O)c2ccc(Br)cc2)cc1 226033700 ZKZXQEJFZCOHQK-IBGZPJMESA-N 513.457 4.926 0 40 KJAB CCOc1ccc(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(S(=O)(=O)N(CC)C3CCCCC3)cc2)cc1 227208960 RPDRNJSEKOENDS-AREMUKBSSA-N 564.770 4.799 0 40 KJAB CCOc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(c6ccc(C)cc6)C(=O)[C@@H]54)[C@H]23)ccc1O 248101164 JQOXHEJSWIVUOJ-YCECTTKQSA-N 534.659 4.527 0 40 KJAB Cc1oc2cc(OCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)ccc2c(=O)c1Oc1ccccc1F 256027815 DMVIDIOWRSLFBB-HSZRJFAPSA-N 530.508 4.705 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)c2cc(Cl)ccc2OC)cc1OC 260723772 HLMXKEYDQVMLGN-JOCHJYFZSA-N 632.179 4.546 0 40 KJAB Cc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1Cl 260730741 KIKLCBBBJKNHPO-HSZRJFAPSA-N 556.128 4.828 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC)S(=O)(=O)c1ccc(C)cc1 260762328 PENQSHSTCSLZKC-OAQYLSRUSA-N 586.552 4.679 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 260885077 DWFLUIWJZPISJU-SSEXGKCCSA-N 579.738 4.989 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 260913981 GCGZPLPAMFHBBL-HOTGVXAUSA-N 548.920 4.745 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 260981617 BCSOKHHUAWXESY-IRPSRAIASA-N 549.737 4.624 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 260986112 OZGFKBSZLRDBTR-RXVVDRJESA-N 542.529 4.790 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 260989219 POXFKYSKQDHQMJ-ZEQRLZLVSA-N 581.735 4.540 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 261014462 HKFFXINMTLOJAU-AMGIVPHBSA-N 556.128 4.661 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c1ccccc1 261034508 XUAQWHKBPJEFMC-DNQXCXABSA-N 581.735 4.621 0 40 KJAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1 408547767 MMMMZRCKLQOGEU-UHFFFAOYSA-N 530.986 4.583 0 40 KJAB COc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c(OC)c1 408652383 HZTABECVGBVEFB-HLLLIGQESA-N 551.426 4.624 0 40 KJAB C[C@H](OC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)C(=O)c1ccccc1 408658383 OANGROYJSPNLIC-IUVAOCSQSA-N 548.422 4.783 0 40 KJAB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c(C)cc1Br 408658857 RRCUYSCMWKHDJF-ZDUSSCGKSA-N 514.203 4.908 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1F 408695869 UJKGNIHWLCPEQY-UHFFFAOYSA-N 505.376 4.743 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)cc2)cc1 408712222 WRMQTXZCLOZPLA-UHFFFAOYSA-N 551.646 4.939 0 40 KJAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(C(=O)Nc3ccc(I)cc3)c1)C2=O 408721174 DPYQXVKKTXEYQH-FDDCHVKYSA-N 502.352 4.859 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)O)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408769312 MOFMXLWATJLMHT-WYLTYJJASA-N 653.507 4.536 0 40 KJAB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc(Cl)c1OC 408920754 LDXOJMWFZWZSAN-LJJBLSSYSA-N 552.077 4.606 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3F)CC2)c2ccc(Cl)cc2C)cc1 408926785 QGALSRPVJVSZAS-UHFFFAOYSA-N 516.038 4.640 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cccc2ccccc12 408926929 ZWFGRIZPNRCIGP-UHFFFAOYSA-N 544.054 4.699 0 40 KJAB CCCOc1ccccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(F)cc4)cc3)c(=O)n21 409014687 NTDGDDGSXXYRKQ-CXABMRDKSA-N 616.711 4.932 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c2=O)=N1 409021802 ZARDUNVUFXQEDC-MANCNJIUSA-N 570.715 4.693 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(Cl)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409093993 CEOKKIIATHFKEW-ZPVURNRZSA-N 576.118 4.927 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OC(C)C)cc4C)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 409118045 OSCJESYRCIFRHY-HRIDGTDGSA-N 600.693 4.941 0 40 KJAB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Br)cc3)C2=O)ccc1Cl 409160057 SHCGOXXKLHIUOA-RQZCQDPDSA-N 523.792 4.954 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(I)c1OCc1ccc(Cl)cc1 409175555 ZOVFXRQOPDGSSF-LICLKQGHSA-N 526.758 4.835 0 40 KJAB CCCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1OCC 409197503 HFHDSLLSBUEEKE-QJOMJCCJSA-N 635.524 4.864 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 409255268 HOZFOKBKWVSFPH-UHFFFAOYSA-N 543.711 4.675 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3OC)cc2)c2ccc(F)cc2)cc1 409409454 PBERSRFOLBNNDA-UHFFFAOYSA-N 643.715 4.876 0 40 KJAB COC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc(C(=O)Nc2ccccc2F)c1C 871275 HXQAKINTFZYCBL-UHFFFAOYSA-N 502.520 4.513 0 40 KJAB CCC(C)(C)n1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 926497 GETUFJVVDFOPEM-UHFFFAOYSA-N 518.662 4.539 0 40 KJAB CC[C@H](c1nnnn1Cc1ccco1)N(Cc1cccs1)Cc1cc2c(C)cc(C)cc2n2nnnc12 1367547 NKVPWRXSFSIXQV-HSZRJFAPSA-N 513.631 4.737 0 40 KJAB CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O 1374337 ARCFJHXMQIZOSD-HHHXNRCGSA-N 536.636 4.948 0 40 KJAB CCOc1cccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2Cc2ccc3c(c2)OCO3)c1 1459421 KONDZAYRXNJIER-JOCHJYFZSA-N 521.957 4.834 0 40 KJAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCCCC4)CC(=O)N32)cc1OC 2104914 IVHFPTXWBVYFNS-PWUYWRBVSA-N 501.627 4.983 0 40 KJAB biogenic CCOC(=O)c1ccccc1NC(=O)CN1C(=O)N(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc21 2713351 KWJMMVADYIGROT-UHFFFAOYSA-N 527.986 4.599 0 40 KJAB CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccc(F)cc3)C(=O)N12)C(=O)NCc1ccc(C)cc1 2968375 YYTQNNHOSBWSHA-UIOOFZCWSA-N 571.678 4.627 0 40 KJAB COC[C@H](C)n1c(COc2ccccc2F)nnc1SCc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 3297389 AJEAOXHBHACKMR-CABCVRRESA-N 529.663 4.919 0 40 KJAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)c1ccccc1 3314624 SNRHXBXUCZGJHS-VWLOTQADSA-N 593.485 4.868 0 40 KJAB COc1ccc(OC)c([C@@H]2CC(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)=NN2S(C)(=O)=O)c1 6161709 XQUUEDZHVNSTCV-QHCPKHFHSA-N 538.025 4.976 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)CNC(=O)c1cccs1)c1cccc(F)c1 6462236 CTSUHRNWFPBYHO-DEOSSOPVSA-N 511.619 4.705 0 40 KJAB COC(=O)/C=c1\sc2n(c1=O)[C@@H](c1ccccc1Cl)C1=C(N=2)/C(=C/c2ccccc2Cl)CCC1 9281681 ODQZGGRDSFCLBJ-HKCOKRQBSA-N 511.430 4.914 0 40 KJAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(OCc3ccc(F)cc3)cc2)c1 9934733 JVEXGNNPIDBKSG-AREMUKBSSA-N 515.545 4.941 0 40 KJAB CC(C)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2F)cc1 12481816 XRLHDQAWMMAAPU-IADCTJSHSA-N 529.616 4.764 0 40 KJAB CC1CCN(CCCNC(=O)c2ccc(N(Cc3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)CC1 13669386 FNADJGUORLIYLS-UHFFFAOYSA-N 512.503 4.811 0 40 KJAB COc1cccc(COc2ccc3c(C)c(CC(=O)N4CC[C@@]5(O)CCCC[C@@H]5C4)c(=O)oc3c2C)c1 16032504 BSCVQOHXMYYUIK-RCRUUEGKSA-N 505.611 4.694 0 40 KJAB biogenic C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2c(S(=O)(=O)NC3CCCCC3)cccc12 16322424 FENLPQFCGHMQDX-IBGZPJMESA-N 509.628 4.704 0 40 KJAB C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=c3\sc4nc(-c5cccs5)nn4c3=O)ccc2O1 16733946 VFYKNKKBNPZXTI-ZGWJWYQGSA-N 509.616 4.603 0 40 KJAB CCOc1ccc(C(=O)NC(=S)Nc2cc(NC(=O)c3ccco3)ccc2OC)cc1Br 32126932 WLFBBAKBJNHKAW-UHFFFAOYSA-N 518.389 4.829 0 40 KJAB O=C(c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)cc(C(=O)N2CCN(Cc3ccccc3)CC2)c1)N1CCN(Cc2ccccc2)CC1 35982606 HKTMNRTVCHWPDR-UHFFFAOYSA-N 684.885 4.561 0 40 KJAB COc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4ccc(C(C)C)cc4)cc3)CC2)cc1 40717608 FPASOMKDLQRJIB-UHFFFAOYSA-N 516.667 4.908 0 40 KJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)c1 59889051 XQXHGCBKOZNMCJ-UHFFFAOYSA-N 535.647 4.630 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)c2cc(Cl)ccc2OC)cc1OC 59980596 MXQYAUJJAYCHAF-JOCHJYFZSA-N 545.057 4.755 0 40 KJAB COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NC[C@H]5CCCO5)cc4)C(=O)N32)c1 70705147 LUPIJGJTRGHNFU-OVTKCHPXSA-N 550.615 4.568 0 40 KJAB biogenic C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC(c4nc5ccccc5s4)CC3)cc2)C1 100176615 QLRGLLUBFXJEEQ-KDURUIRLSA-N 533.741 4.531 0 40 KJAB O=C(NC[C@@H]1CCCO1)c1ccc2c(=O)n(Cc3ccccc3)c(SCC(=O)c3c[nH]c4ccccc34)nc2c1 102177230 LXKHPDABQURCRX-QFIPXVFZSA-N 552.656 4.810 0 40 KJAB CCOC(=O)C1=C[C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3[C@H](C(=O)c3ccc(Br)cc3)N2C=C1 103630385 PSEPXSCJOICYKQ-FXSWLTOZSA-N 571.427 4.660 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 107871212 ZXEXVUSXPBGBAH-AWEZNQCLSA-N 522.458 4.764 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3cccc4c3ccn4C)c(=O)cc1[C@@H](NC(C)=O)CC2 108448164 VVOKAXIEAAASOV-BVZFJXPGSA-N 584.673 4.794 0 40 KJAB biogenic CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nccs1 108450207 UXXWTMGFHUGNFG-LVARUYSCSA-N 580.707 4.785 0 40 KJAB biogenic COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)ccc1N1CCCCC1 150438361 HFJJISGLIYEORS-UHFFFAOYSA-N 697.880 4.750 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCCOCCOc4ccc(C)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 150442936 ROZNIBGSJLDTAY-NYZVVIEDSA-N 672.800 4.988 0 40 KJAB O=C(O)COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2c(F)cccc2Cl)C1=O 205666526 PSRDNEKVXAYICN-FRKPEAEDSA-N 500.729 4.942 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 222483790 YJQLEIARFJBDSZ-HHHXNRCGSA-N 581.735 4.540 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 222735480 IDBHTLKDTWWGLL-HXUWFJFHSA-N 562.519 4.969 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 222825703 YUBHXUVSMMGHGK-MUUNZHRXSA-N 565.736 4.839 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c2ccc(C)cc2)cc1OC 222922116 KMUFCPDEEQCDGX-NRFANRHFSA-N 522.667 4.964 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 223216992 NWDDRXBZNDUDFM-DEOSSOPVSA-N 536.138 4.917 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 223307496 WTPKGKKEAJXMSE-HOFKKMOUSA-N 500.639 4.945 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 223584123 OVQHCSMEADIXNQ-RBISFHTESA-N 603.160 4.647 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)NCCOc1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 223595206 LHQJVKJRTBCXEI-UHFFFAOYSA-N 523.438 4.701 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 223702072 OAUWIFMLZLYURS-SANMLTNESA-N 622.571 4.553 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 223788760 AZPQBNQYCJOMKO-DEOSSOPVSA-N 536.138 4.918 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223800635 WYELZFATWYIAKV-QFIPXVFZSA-N 632.179 4.895 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 223951872 CIJZPGCYAZMMOX-IBGZPJMESA-N 554.540 4.852 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224236268 JKYFSRGUAUUTNO-MHZLTWQESA-N 570.155 4.969 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 224295807 OWHGITCQIODVQC-NRFANRHFSA-N 560.091 4.864 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 224296727 RUKJQMDKPJGBBV-OAQYLSRUSA-N 651.542 4.815 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224542787 LIYVYAWETKCAAO-DEOSSOPVSA-N 570.539 4.634 0 40 KJAB COc1cc2c(cc1OC)N(Cc1ccccc1F)S(=O)(=O)C(C(=O)NCC1=CCCCC1)=C2C 224593138 SPDHQRBWYYFROQ-UHFFFAOYSA-N 500.592 4.541 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 224717911 LPMKUMMCUKVROR-OAQYLSRUSA-N 602.551 4.949 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 224743797 ILNRWBUAFMGUCU-MUUNZHRXSA-N 569.699 4.609 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224756897 UDGAASLXMXBHMR-JOCHJYFZSA-N 632.179 4.813 0 40 KJAB COc1ccc(CN(C(=O)COc2ccc(I)cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224974613 WYXCQDFTEPHCLR-GOSISDBHSA-N 550.437 4.545 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225119515 IYFJZSJEVQVUEA-MHZLTWQESA-N 581.735 4.541 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 225170711 RCSBEVHICWHOKV-QHCPKHFHSA-N 539.673 4.663 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225180289 RUMWWDTXVVXPFS-MHZLTWQESA-N 581.735 4.541 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 225331030 FIYOWHNGAIHOPP-DEOSSOPVSA-N 572.555 4.882 0 40 KJAB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccncc3)c2C)ccc1NS(C)(=O)=O 225418317 NYTPSONDPMVZLY-RRPNLBNLSA-N 562.721 4.500 0 40 KJAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 225437888 YLUMEBVCQJFOSB-LJAQVGFWSA-N 549.737 4.820 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 225466811 CCZZAGJFJOQMHD-FUFSCUOVSA-N 565.736 4.921 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225543831 HXFFZSLJXNNDPF-MHZLTWQESA-N 556.128 4.581 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 225622388 BSRISKKVFPRVAS-SSEXGKCCSA-N 606.144 4.930 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 225668024 SVMMUIIEMIXJJG-NRFANRHFSA-N 560.091 4.864 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 225734600 ZLKJJYODKQSVKC-MHZLTWQESA-N 600.579 4.627 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 225740005 XWGUWMIEYWTAML-WZONZLPQSA-N 600.565 4.643 0 40 KJAB COc1cc(Br)cc(C(=O)O)c1OCC(=O)N(Cc1cccc(F)c1)Cc1ccc2c(c1)OCO2 257283482 OYNOTJNHPZHWEL-UHFFFAOYSA-N 546.345 4.632 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)c2ccccc2Cl)cc1 260733842 KWQCPSLXMKRECO-OAQYLSRUSA-N 560.091 4.925 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCCCNc3ccnc4cc(Cl)ccc34)C2)c(C)c1 260746417 RTNNNBNLLNUXOV-NRFANRHFSA-N 529.106 4.833 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 260769871 HYXSGXXXCZSPIJ-HSZRJFAPSA-N 581.735 4.540 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)Oc3ccc(C)cc32)cc1 260897283 KTIGDHBDVCYLOD-XMMPIXPASA-N 553.662 4.556 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 260942310 ITQVISNFQBDVNN-ZEQRLZLVSA-N 551.709 4.531 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 260984559 BNHWSLZAHWJTMK-YADHBBJMSA-N 646.604 4.994 0 40 KJAB CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 260984928 OTLCSIWIXKSCMO-JWQCQUIFSA-N 625.788 4.672 0 40 KJAB CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 408546805 GNNUHWCLMXSRIP-UHFFFAOYSA-N 560.072 4.721 0 40 KJAB Cc1cccc(C)c1NC(=O)c1cc2cc(Br)ccc2n1NC(=O)C(=O)Nc1ccc2c(c1)OCO2 408602309 CVVDAUYYHQFVIN-UHFFFAOYSA-N 549.381 4.710 0 40 KJAB CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 408626473 XGUMGJJRXKQRSD-UHFFFAOYSA-N 544.471 4.765 0 40 KJAB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2cc(Br)c(O)c(OC)c2)C(=O)O)n[nH]1 408630750 CKTPMAGOJTXANK-CHHVJCJISA-N 512.769 4.828 0 40 KJAB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 408679123 CFFXKJPGWGZWLN-PBLWVRPVSA-N 538.600 4.603 0 40 KJAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OCc4ccccc4)c(OCC)c3)c2=O)=N[C@H]1c1ccc2c(c1)OCO2 408729892 DXNDLLIKRNOFHX-TZUCAZQYSA-N 598.677 4.614 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409006895 SAKNUEIPPUZFTA-UHFFFAOYSA-N 521.422 5.000 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3c[nH]c4ccccc34)c2=O)=N1 409036326 VQKDJUAAXRCNJC-ITIZVALFSA-N 536.053 4.722 0 40 KJAB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccccc2C1 409057908 MVQBQLRESFDZPS-UHFFFAOYSA-N 533.875 4.878 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409096261 JYJALTSSOCBBPS-IUDBDROBSA-N 640.743 4.883 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2cccc(C)c2C)cc1 409120098 XYXXHBCFAXRIIK-UHFFFAOYSA-N 512.075 4.809 0 40 KJAB CCCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1OCC 409207352 SOACDYQPRNNVTR-MTJSOVHGSA-N 624.453 4.925 0 40 KJAB COc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 409264077 JNJNAJYWPJFTLN-IRXDYDNUSA-N 521.477 4.877 0 40 KJAB Cn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 409352028 XZJRKROGNPDYSE-VAWYXSNFSA-N 525.059 4.652 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1[C@H](C)NC(=O)c1ccccc1C 409363060 SVCWJOSKYXWXQL-INIZCTEOSA-N 516.465 4.899 0 40 KJAB Cc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)c1 409380146 JFSPKRZFGXOUKQ-LEWJYISDSA-N 516.333 4.776 0 40 KJAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O 524731549 BKMZXPVCRHLBDR-SIKLNZKXSA-N 518.566 4.574 0 40 KJAB biogenic COc1cc(CN2CCC[C@](O)(COc3cc(C)ccc3Cl)CC2)ccc1OCCn1cccn1 585270181 COLMBZKZHXTYQK-HHHXNRCGSA-N 500.039 4.729 0 40 KJAB CC(C)CCN1CCOCCOc2ccc(C(=O)NCCc3ccc(S(=O)(=O)N(C)C)cc3)cc2Cc2cccc(c2)C1 643579957 HKVFNERZRUAYSJ-UHFFFAOYSA-N 607.817 4.757 0 40 KJAB COc1ccc([C@H](C(=O)NC2CCCC2)N(CCc2ccccc2)C(=O)[C@H]2COc3ccccc3O2)cc1 888246 FEXATXOIMWSQRS-FQLXRVMXSA-N 514.622 4.706 0 40 KJAB O=C(Nc1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1335984 YMFVEGDBGGBZOW-UHFFFAOYSA-N 519.941 4.916 0 40 KJAB Cc1ccccc1[C@@H](C(=O)NCc1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F 1372537 FRBQMUKRXDGSJH-LJAQVGFWSA-N 507.569 4.970 0 40 KJAB CCOC(=O)CN(c1sc(C)c(-c2ccccc2)c1C(=O)OCC)S(=O)(=O)c1ccc(C)cc1 1717094 QRHNCMYYOQFKEC-UHFFFAOYSA-N 501.626 4.967 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Oc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)cc1 1787967 DSPMTVICNFMIIB-QFIPXVFZSA-N 518.031 4.932 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 2055751 NOSPBYXFUPSOEG-RAWKODRKSA-N 584.694 4.785 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)sc2c1CCCC2 2074011 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COc1ccc(CN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 11914280 QUCRJYQVKFXDLZ-RUZDIDTESA-N 501.535 4.881 0 40 KJAB Cc1ccccc1CCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCC1)c1ccsc1 13029370 UHXASSOLRSXHTF-HHHXNRCGSA-N 501.656 4.673 0 40 KJAB O=C(C(c1ccccc1)c1ccccc1)N1CCC(c2nc(O)c3nnn(Cc4ccccc4)c3n2)CC1 13083237 OPJIQQMFASBEIJ-UHFFFAOYSA-N 504.594 4.513 0 40 KJAB CC[C@@H](c1nnnn1C1CCCC1)N(CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 13495919 BZSMDKXZMYKKLQ-VWLOTQADSA-N 514.630 4.863 0 40 KJAB Cc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4cccc(OCc5ccccc5)c4)cc3)nn12 14274292 YVNBVGFENZISIG-UHFFFAOYSA-N 514.636 4.545 0 40 KJAB CCOc1ccc(N(CC(=O)N(C)Cc2ccccc2OC)S(=O)(=O)c2ccc(Cl)cc2)cc1 19932023 VZQJVONCRWBIGE-UHFFFAOYSA-N 503.020 4.601 0 40 KJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N[C@H](C)c3ccc(Br)cc3)cc2)cc1 19937999 ORDOIJUOLAHYSG-GOSISDBHSA-N 517.445 4.839 0 40 KJAB CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccco2)c(C(=O)Nc2ccc(C)c(Cl)c2)n1 27795018 RMWJWSYMGWMEKL-UHFFFAOYSA-N 514.991 4.877 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(CN3CCCC3)cc2)c2cccc(Cl)c2)cc1 44857269 ZNTLRBBHECNWJF-UHFFFAOYSA-N 512.075 4.756 0 40 KJAB CCSc1nc2c(s1)c(=O)n(-c1ccc(C)cc1)c(=O)n2CC(=O)Nc1c(C)cccc1Cl 49004125 FTKLWJQQGROZCI-UHFFFAOYSA-N 501.033 4.630 0 40 KJAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)c2cccc(Br)c2)cc1Cl 59834160 PRUUOJVECQEVDQ-OPAMFIHVSA-N 551.890 4.878 0 40 KJAB COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CCC3)c1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc12 96116180 KSWCBOFSTRPINJ-QFIPXVFZSA-N 523.541 4.827 0 40 KJAB biogenic COC(=O)c1c(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)sc(C(=O)N(C)C)c1C 97948079 GWMHAXKNOIEUSC-UHFFFAOYSA-N 551.734 4.890 0 40 KJAB CCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4OC)[C@@H]3C2=O)cc1 97955296 UNGVCUZYNZMLNZ-KCHLEUMXSA-N 532.593 4.942 0 40 KJAB CC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(Br)cc1[C@@H](NCC(=O)OC)c1ccccc1 97997862 PGEDUGADHPVZOB-OZXSUGGESA-N 568.468 4.945 0 40 KJAB biogenic COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1OC 100276390 JYBAAUOABGDINO-GDLZYMKVSA-N 607.086 4.979 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(CCc1ccc(OC)c(OC)c1)C(=O)Cn1nnc2ccccc21 100356907 ATZKZEIEOPBFPW-GDLZYMKVSA-N 543.668 4.566 0 40 KJAB COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)c1OC 100363909 NVFZTZLREBLAEJ-GDLZYMKVSA-N 541.652 4.980 0 40 KJAB COc1ccc(/C=c2/sc3n(c2=O)[C@H]2c4ccccc4O[C@](C)(N=3)[C@@H]2C(C)=O)cc1COc1cccc(C(F)(F)F)c1 102442324 GRAMEUXBIZAQCM-UCLQBKMQSA-N 594.611 4.881 0 40 KJAB O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc(I)cc(I)c1Br 150472503 LTADULWAONNFMH-UHFFFAOYSA-N 627.058 4.743 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 222465889 UTDCEWIKZLXADV-SSEXGKCCSA-N 606.144 4.930 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 222530354 NXAAHOLZBVNMEK-PZGXJGMVSA-N 599.725 4.760 0 40 KJAB 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CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 223709483 WUIWJNCSZRXNRV-HXUWFJFHSA-N 576.090 4.627 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223971502 BDWCXBCWMXAALR-OAQYLSRUSA-N 566.562 4.556 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1)c1cccc(Cl)c1Cl 224072529 CECMHJWKKNURGC-UHFFFAOYSA-N 511.402 4.908 0 40 KJAB Cc1cc(C)cc(OCCNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3cc(C(C)(C)C)ccc3O2)c1 224093414 PWGLNXOKENALQV-MHZLTWQESA-N 522.667 4.752 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Cl)cc1 224113025 VZGYHPVRHXZDHD-HHHXNRCGSA-N 572.127 4.878 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 224211076 IECZWMWIVPNDHY-JOCHJYFZSA-N 542.101 4.725 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 224378667 LVVAAZMEDSCUBK-LJQANCHMSA-N 542.529 4.729 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 224406443 QUEHQYJPLPEGKS-NDEPHWFRSA-N 567.727 4.709 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 224411550 JDJJDSDHSUIPDV-FQEVSTJZSA-N 548.920 4.665 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 224579016 AKBOBLBOCIOTDB-AREMUKBSSA-N 576.090 4.627 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 224598409 NZYWRSBRPJCRNO-YTTGMZPUSA-N 657.789 4.828 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224729921 XWIUSRJEVXVVJP-LJQANCHMSA-N 582.536 4.611 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 225112094 VVEWQZJQICZCKN-DEOSSOPVSA-N 578.573 4.780 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 225348810 SKLUGMZREPTEFU-AREMUKBSSA-N 573.756 4.506 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 225355991 BLRSDGYPMFOCOJ-DNQXCXABSA-N 581.735 4.540 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 225385621 MUJSIGGYVWFUHE-LJAQVGFWSA-N 598.165 4.865 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 225390315 LUGHFKTYEGZATG-JWQCQUIFSA-N 595.762 4.848 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 225399440 YAJYCDNCBWIHON-PMERELPUSA-N 625.763 4.698 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 225405147 SMDDNNWIUZURSO-MUUNZHRXSA-N 602.153 4.886 0 40 KJAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 225427119 GHIDKFWYVQQIJB-HHHXNRCGSA-N 565.736 4.657 0 40 KJAB COC(=O)c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)o2)cc1 225519843 IBKGQJZFBLYQEN-IZZNHLLZSA-N 512.591 4.739 0 40 KJAB COC(=O)c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1 225540207 UETOYSWUIULUDU-SXOMAYOGSA-N 525.634 4.660 0 40 KJAB 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CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 260997936 REVZISMTNQNLEY-GCJKJVERSA-N 542.529 4.790 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 261083340 RQSBOFPYQHADNV-GDLZYMKVSA-N 563.764 4.933 0 40 KJAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c(C)c2)CC1=O 408654013 GAJVJRYXFYOQMD-DLMZMTARSA-N 514.622 4.614 0 40 KJAB O=C(COC(=O)CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)Nc1ccc(Cl)cc1 408689821 ZJIXFYURJOMLTO-UHFFFAOYSA-N 510.544 4.732 0 40 KJAB Cc1c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)ccc(Br)c1Cl 408690504 VOURCFAFBWCWQH-FJAKRLOMSA-N 543.801 4.518 0 40 KJAB Cc1cccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)S(C)(=O)=O)c1 408694931 KGQUWZIZJMYCKT-UHFFFAOYSA-N 580.526 4.743 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)CC1 408714622 KZJVJUKNGKMKLE-RUZDIDTESA-N 546.476 4.607 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc(F)cc4)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408804271 WSXHBHKMVOYCBS-ZGOFBEGVSA-N 546.595 4.656 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)OC)ccc4C)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409036125 KTAOWWJJBHHRRL-SJXDCSIJSA-N 630.719 4.949 0 40 KJAB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Br)c1OC(C)C 409038947 WELQEIPSLJEIEM-WLGHQHAYSA-N 585.520 4.747 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409099404 SBEHLZQWPKSUPU-XQNWCSQWSA-N 591.133 4.565 0 40 KJAB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc5c(c4)OCCO5)C3=O)o2)cc1 409197445 FMFLAOVUOLTSGW-OEAKJJBVSA-N 534.546 4.570 0 40 KJAB COC(=O)c1ccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 409325470 YULUNZFIHXHAFF-UHFFFAOYSA-N 526.920 4.979 0 40 KJAB CCc1ccc(NC(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 409379200 VKNLKOWDONJGEL-UHFFFAOYSA-N 554.978 4.967 0 40 KJAB O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cccnc1)c1cccc(C(F)(F)F)c1 409387227 OQHINIFGJPJAHR-MOPGFXCFSA-N 570.398 4.594 0 40 KJAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 409399056 HLKXUBJORJOLJM-NHDPSOOVSA-N 612.433 4.646 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)C2=O)o1 409400190 QFHWVGLEKXRBRL-GRSHGNNSSA-N 618.824 4.601 0 40 KJAB COc1ccc(CC(=O)N2CCCN(C(C)C)CCN(C(=O)c3cccc(-n4cnnc4)c3)Cc3cccc(C)c32)cc1 643567045 NGNLBDZUNSZMJL-UHFFFAOYSA-N 580.733 4.917 0 40 KJAB COc1cc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)ccc1OCc1ccccc1 944039 FPMOGYUMRXEUTB-MZKRTTBSSA-N 522.570 4.605 0 40 KJAB CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O 1374782 CJBNZHIFMNWQCU-SANMLTNESA-N 514.655 4.981 0 40 KJAB COc1ccc(CN(C(=O)CSc2nc(C)cc(C)n2)[C@H](C(=O)Nc2ccc3c(c2)OCO3)C(C)C)cc1 1407918 DWJCYGXQYWXIKK-SANMLTNESA-N 536.654 4.615 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc(OC)cc2)[C@@H]2CC=CCC2)cc1 1418976 VBLXNZDNGZYOKR-WVXBCFDCSA-N 539.636 4.841 0 40 KJAB COc1ccc(OC)c([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCc4ccc(Cl)cc4)CC(=O)N32)c1 2155819 UMXUPIHGDMDSGI-SVEHJYQDSA-N 530.024 4.766 0 40 KJAB biogenic O=C(Nc1ncn(C[C@@H](COC(=O)c2ccc(F)cc2)OC(=O)c2ccc(F)cc2)c2ncnc1-2)c1ccc(F)cc1 3020469 UTLVORLBDIHNCX-QHCPKHFHSA-N 575.503 4.530 0 40 KJAB O=C(CSc1nnc(SCc2ccccc2)s1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 3323443 WJJDUOTUPCOARL-UHFFFAOYSA-N 535.723 4.819 0 40 KJAB CCn1c(-c2ccccc2)c(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)c2ccccc21 3338437 WMPWKOZWFHHZFF-SFHVURJKSA-N 508.571 4.560 0 40 KJAB O=C(COc1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1)Nc1cccc(C(F)(F)F)c1 3349999 FAOGAKIQDUGAOY-UHFFFAOYSA-N 515.440 4.534 0 40 KJAB COc1ccc(CN([C@H]2CCCC[C@H]2C)S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1OC 5493109 BHBTWJAKJNQUBM-AMGIVPHBSA-N 572.749 4.952 0 40 KJAB Cc1ccc(C)c(N2CCN([C@H](c3cc4cc(C)ccc4[nH]c3=O)c3nnnn3Cc3ccc(F)cc3)CC2)c1 6281909 DDJIKAQPZGZCDD-GDLZYMKVSA-N 537.643 4.539 0 40 KJAB CCCCCCOc1cccc(-n2c(-c3ccc(Cl)cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 8625338 PMYXWUPVOTWCAC-UHFFFAOYSA-N 506.006 4.955 0 40 KJAB biogenic CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N1CCCCCC1)n2-c1ccc(OC)cc1 8670814 QTTLKCNFSUKVKI-UHFFFAOYSA-N 530.716 4.559 0 40 KJAB O=C(NC(=S)Nc1ccccc1C(=O)N1CCCCC1)c1ccc(OCCOc2ccccc2)cc1 12137338 MQQLSDNXMCOTJC-UHFFFAOYSA-N 503.624 4.897 0 40 KJAB CCCCOCCCN1CC(=O)N2C[C@@H](c3cccc(OC)c3OCC)c3c([nH]c4ccccc34)[C@@]2(C)C1=O 12873401 ANMUHHNQQSBCKT-FWUCURJTSA-N 533.669 4.814 0 40 KJAB biogenic COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 14277013 BNWJBJZLTJZUSU-UHFFFAOYSA-N 514.607 4.531 0 40 KJAB Cc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 20108069 ZESNHYJLCNJYHJ-UHFFFAOYSA-N 509.031 4.654 0 40 KJAB COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)cc1 20459728 RXWUZLYHZLHOMG-RUZDIDTESA-N 526.655 4.811 0 40 KJAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)S(C)(=O)=O 22252283 LQQSKUZYQPEPIY-UHFFFAOYSA-N 517.003 4.626 0 40 KJAB CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N(Cc1ccc(OC)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O 33937259 MTIJPHKRDJAOIX-IAPPQJPRSA-N 530.673 4.808 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(CN3CCCCC3)cc2)c2ccc(C)cc2)cc1 44873945 YTLRBGFGTPZHMZ-UHFFFAOYSA-N 521.683 4.501 0 40 KJAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 59886074 QODULFBPJZMUIQ-UHFFFAOYSA-N 556.493 4.816 0 40 KJAB CC[C@@H](C)NC[C@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 98048121 GIFKPQFWZFWIBD-DOMZBBRYSA-N 548.206 4.753 0 40 KJAB COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1OC 100292639 IYOWABDLGRIYAU-HKBQPEDESA-N 573.669 4.849 0 40 KJAB COc1ccc(OC)c([C@H](C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)Cn2nnc3ccccc32)c1 100365208 XIOZFKFOSVOFOK-SSEXGKCCSA-N 541.652 4.586 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(CCc1ccccc1)C(=O)CCC(=O)Nc1cc(C)on1 100416101 SYBPLRYVOUNTBK-MUUNZHRXSA-N 564.683 4.836 0 40 KJAB O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]43)[C@H]2C1=O)c1ccc(-c2ccccc2)cc1 100664212 KHJSDOPIQBKNKV-WQKKPCDMSA-N 503.554 4.951 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 100712725 BTZCLQCJOYYJPV-RQLGBQGVSA-N 525.413 4.975 0 40 KJAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1OC 101165625 RHCIHPIJDUBGGI-WNSKOXEYSA-N 526.387 4.532 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 102983676 GXUNCSMFQAWZRC-UHFFFAOYSA-N 618.055 4.741 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1OC 104923396 DBBXXMBNWWLJOX-SUTHJYIRSA-N 627.763 4.550 0 40 KJAB O=C(NC(=S)Nc1ccc2oc(-c3cccc(I)c3)nc2c1)c1ccc2c(c1)OCCO2 105304542 PUSOJBYIUKBKGX-UHFFFAOYSA-N 557.369 4.997 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c(NS(=O)(=O)c3ccc(Br)cc3)c2)cc1 105521839 BFOHRDRCGRZCDR-UHFFFAOYSA-N 566.499 4.660 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)c(Cl)c2)cc1 140138360 CMZOSVMVPGBLOR-UHFFFAOYSA-N 572.068 4.601 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 222573208 FOLVYRQXQILWOC-NRFANRHFSA-N 548.920 4.745 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 222646974 YFKPLXCYFUNTBJ-IBGZPJMESA-N 578.518 4.669 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 222697223 JBISDONKIDVWPA-FQEVSTJZSA-N 592.545 4.977 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](CC)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 222807980 BOGKMTGDWXYCTL-LJAQVGFWSA-N 581.735 4.621 0 40 KJAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 222880979 PWKFEBDRKDKWJF-IBGZPJMESA-N 582.044 4.760 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 223149987 FUKMWJUKVBTYND-JOCHJYFZSA-N 602.153 4.886 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 223267868 YLVQFDAALOQPOH-HSZRJFAPSA-N 542.529 4.710 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 223383765 CHVGKYMMNYEJBP-AREMUKBSSA-N 602.551 4.515 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 223481703 FHASUMWNGLUEHN-HSZRJFAPSA-N 569.699 4.672 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 223716658 ZGSUHGHMXHFDRL-VWLOTQADSA-N 620.555 4.654 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 223997240 QNLCEBAPJUZENH-MHZLTWQESA-N 581.735 4.623 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 224022272 PPLRUXTYKRCPEO-NRFANRHFSA-N 602.153 4.885 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 224430615 PAAWSINSNPJUDL-NDEPHWFRSA-N 614.606 4.998 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 224492935 WVSNAPLMPFCWGM-HXUWFJFHSA-N 548.920 4.665 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 224598026 NVQTWHCHPYIMJP-LJAQVGFWSA-N 565.736 4.779 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 224700931 LYEKDTFVBWKFPV-DEOSSOPVSA-N 541.758 4.970 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 224715541 DCGHPIRLNLCKDU-MRXNPFEDSA-N 605.382 4.998 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)cc1 224742356 ABOOZRYVQHNXLN-NRFANRHFSA-N 534.122 4.589 0 40 KJAB Cc1ccc(OCCNC(=O)CCCN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1C 224792585 QGFXYWKNPDSNQW-UHFFFAOYSA-N 506.974 4.717 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 224941433 NBTAPMINQAZTKQ-LJQANCHMSA-N 542.529 4.792 0 40 KJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-n1cnnc1 225066560 VICFRYZJJMVZJA-URLMMPGGSA-N 564.675 4.597 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 225117220 QSKJMPPYCMVAHW-LJAQVGFWSA-N 565.736 4.923 0 40 KJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)O)o2)cc1NS(C)(=O)=O 225490883 WPVJSWFQLQLQRQ-LOSJGSFVSA-N 564.645 4.597 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC)S(=O)(=O)c1ccccc1 225499712 WIHXLQFOTSKQER-PMERELPUSA-N 585.726 4.667 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 225627435 RGQGTOBNCMGBBC-DEOSSOPVSA-N 582.937 4.799 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 225678830 HETUFLYHUGQOMI-QHCPKHFHSA-N 569.699 4.609 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 225690844 GSZKAUVZXLMORD-VGSWGCGISA-N 568.523 4.640 0 40 KJAB CCCOc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@H]1C(C)=C(C(=O)OCC)[C@@]2(C)[C@@H]2C(=O)N(c3ccccc3OCCC)C(=O)[C@H]12 245231855 KOQDRQBIGYHNHJ-TVVDXYKJSA-N 614.695 4.705 0 40 KJAB CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](CC)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 260705122 JLCKYIZAFBVBBG-GDLZYMKVSA-N 565.736 4.655 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)[C@H](C)C(=O)NC(C)(C)C)c1 260752379 CXXOGQTWGPVGGO-OAQYLSRUSA-N 662.205 4.902 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1Cl 260755937 DRDZRTZYAVIULP-OAQYLSRUSA-N 564.148 4.679 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 260767608 VFERJQIASFBURL-RUZDIDTESA-N 565.736 4.758 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1 260823875 XJNXMCXFWKITNS-XMMPIXPASA-N 593.746 4.516 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 260894101 DDHKQZRTHFAYSD-DQEYMECFSA-N 565.736 4.839 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c(OC)c1 260964242 HMWJAGJJNHDOBE-HHHXNRCGSA-N 616.180 4.678 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 260975143 KAZKYDOMVXALOE-HHHXNRCGSA-N 586.154 4.669 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 260984936 OTVQNTVCPQZDCH-SQHAQQRYSA-N 565.736 4.921 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 260985093 OWTVQGRZTUVBEF-OALUTQOASA-N 542.529 4.872 0 40 KJAB COc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(F)cc3)cc3cc(Br)ccc32)cc1 408578909 WRAPTOIYYNPWAI-UHFFFAOYSA-N 525.334 4.513 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408622310 VQAKRSWYUOBEOP-UHFFFAOYSA-N 647.750 4.836 0 40 KJAB COC(=O)c1c(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2 408630613 VUCZLEHFHDDTOB-UHFFFAOYSA-N 549.468 4.620 0 40 KJAB CCCC[C@H](C(=O)OCC(=O)Nc1ccc(OC)cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408684626 JYWRPIBVBPHHDP-ZERTYBAUSA-N 552.627 4.628 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4)c4ccccc34)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 408725098 FBJNJRPRIQTSCO-TZUCAZQYSA-N 577.662 4.530 0 40 KJAB Cc1ccc(CN(CC(=O)Nc2ccc(I)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408923343 PJQITKCYQJKFRX-UHFFFAOYSA-N 534.419 4.738 0 40 KJAB CCOc1cc(/C=C2/C(=O)N(C)C(=S)N2C)cc(I)c1OCc1ccc(Cl)cc1 409042932 LRKYQSTYFKIINN-YVLHZVERSA-N 542.826 4.952 0 40 KJAB CCOc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N2CC(=O)OC)cc(Br)c1OC 409062712 ZLUBLSFRDDZYFJ-YVLHZVERSA-N 539.835 4.657 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)CC1 409071702 PDHXBTCJHDJYBV-UHFFFAOYSA-N 532.493 4.842 0 40 KJAB CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)cc1Cl 409092451 YJFDOCLGUIVNIZ-NLZIUFDSSA-N 544.504 4.809 0 40 KJAB O=C(O)CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)C1=O 409128915 HDBZCTCWOPMSQO-OVCLIPMQSA-N 527.190 4.912 0 40 KJAB O=C(Cn1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c2cc(Br)ccc21)NC[C@@H]1CCCO1 409129826 VBHJUKUKLOEJSI-LMJDSDMOSA-N 554.466 4.936 0 40 KJAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1 409195702 VLWKQNCKTWBNOW-UHFFFAOYSA-N 500.620 4.773 0 40 KJAB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4N4CCOCC4)C3=O)o2)cc1 409206853 QNFHXNWWWMDKML-PCLIKHOPSA-N 531.590 4.661 0 40 KJAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OC(C)C)c(OC)c3)C2=O)cc1 409232684 OUDZNPOXNYDOEZ-YBFXNURJSA-N 535.416 4.929 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCC(C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 409276953 YKMTVSQWDGRYAK-IWOMQAHVSA-N 613.736 4.782 0 40 KJAB CCn1c(SCC(=O)Nc2nccs2)nnc1[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(C)C 409356137 FDXHCHRJYBGTDW-INIZCTEOSA-N 513.476 4.919 0 40 KJAB COC(=O)C[C@H](c1ccc2ncccc2c1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O 524730467 KIUHUSHUQOCQDQ-OLILMLBXSA-N 514.534 4.572 0 40 KJAB biogenic 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O=C(CCCNC(=O)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccccc1)OCc1ccccc1 8691069 ZTAGNSBWWZPKCI-MOHJPFBDSA-N 521.411 4.860 0 40 KJAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 12702023 VIMLEUMYOQLVQD-NDEPHWFRSA-N 526.616 4.617 0 40 KJAB COc1ccc(OC)c([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2c(C)cccc2C)c1 13029098 HDQANSCIEKAZIT-NDEPHWFRSA-N 529.641 4.755 0 40 KJAB COc1ccc2cc(CN(Cc3ccccc3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 13498742 ZNSMUIMNMJUXJV-NDEPHWFRSA-N 508.626 4.971 0 40 KJAB CCCCNC(=O)C[C@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccc(CC)cc3)N2C1=O 20643123 KWUZTFVEGJHWRA-PKTZIBPZSA-N 519.671 4.664 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OCC)cc2)cc1 22271758 LUBJDCUWKAFQAJ-AREMUKBSSA-N 524.639 4.571 0 40 KJAB Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 59888205 KRHLDUVVPVVROB-UHFFFAOYSA-N 555.600 4.528 0 40 KJAB COc1cc(OCCCCC(=O)O)cc(OC)c1[C@H](N)C(=O)OCC1c2ccccc2-c2ccccc21 77024906 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COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c2ccc(C)cc2)cc1Br 222672294 CFBWIVZXUUWNRD-SFHVURJKSA-N 575.481 4.610 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 222806325 GNWPOPLVUGSBDY-GDLZYMKVSA-N 565.736 4.839 0 40 KJAB COc1cccc(OC)c1CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl 222837392 GNUCDPXUUDMFOI-UHFFFAOYSA-N 525.410 4.507 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc3ccccc23)c2ccc(C)cc2)cc1OC 222841204 TXNJIMJFGUBBTC-UHFFFAOYSA-N 504.608 4.677 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 222989438 RHEDEJARXNPCCA-QFIPXVFZSA-N 586.552 4.815 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 223137147 NNMIHUVFUPASNH-SANMLTNESA-N 535.710 4.912 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223175281 NVYZOTZFTUVGQO-FQEVSTJZSA-N 536.138 4.737 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223333939 GSWFIAWCDXAEJO-VWLOTQADSA-N 578.518 4.751 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1cccnc1)c1ccccc1)Cc1ccccc1 223375559 ZPLXBTTVITWPAR-SSEXGKCCSA-N 591.133 4.583 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 223585649 AKLGIARYKHWWRM-AJTFRIOCSA-N 596.149 4.820 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 223622797 VHKLMAIIESZASV-XMMPIXPASA-N 552.137 4.617 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 223708578 LRLGQDWYXGOSHV-NDEPHWFRSA-N 595.762 4.931 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 224083769 HUTZXEODWYWKOE-MHZLTWQESA-N 586.154 4.589 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 224652402 YNKPYJWANDVPPS-QHCPKHFHSA-N 569.699 4.588 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 224759239 QCWHAXCREWHIGU-GDLZYMKVSA-N 583.726 4.750 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 224814198 YJPMJWFCOOMZQK-OAQYLSRUSA-N 534.122 4.607 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 224837523 SBVCZATZPMNOPH-QHCPKHFHSA-N 532.468 4.949 0 40 KJAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Cl)cc1 225054724 JRRXPPDLTUHMKM-HSZRJFAPSA-N 586.154 4.920 0 40 KJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-n1cnnc1 225124571 MHTLOSKARSZUBQ-ZEQRLZLVSA-N 535.077 4.828 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 225150439 YKBCBWQWTQQBAC-INIZCTEOSA-N 548.920 4.746 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 225702569 YQLZGMPGDWVWBO-AREMUKBSSA-N 551.709 4.531 0 40 KJAB O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCCSc1nc(-c2ccccc2)n[nH]1 226016019 LESCASBBJOFXBD-UHFFFAOYSA-N 576.531 4.878 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)Cc2ccccc2Cl)cc1 226068227 BFDNUYYTNHXPDZ-UHFFFAOYSA-N 537.041 4.537 0 40 KJAB O=C(C[C@@]1(COc2ccc(Cl)cc2)CCCN(S(=O)(=O)Cc2ccccc2)C1)N1CCCCC1 257271946 NALFUZPLGGPOJO-SANMLTNESA-N 505.080 4.734 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@H](CC)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 260707686 RKILGQTWYMITKS-GDLZYMKVSA-N 581.735 4.621 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 260724168 IFUNGHYMBNUDIV-OAQYLSRUSA-N 591.652 4.851 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 260744061 NNVKKCISDRUZSE-HSZRJFAPSA-N 539.673 4.580 0 40 KJAB Cc1ccc(CN(C(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)cc1 260751255 BNCUSQBWIIJQHN-OAQYLSRUSA-N 549.684 4.686 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC)S(=O)(=O)c1ccccc1 260765770 RRCDUELXSAUWMH-WJOKGBTCSA-N 587.717 4.970 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1 260863430 BXWDBUVRFLWBGK-JOCHJYFZSA-N 587.689 4.748 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)c2cccc(C)c2)cc1 260881590 OCPOCRCJZPPHKG-HSZRJFAPSA-N 539.673 4.580 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)c1 260900819 DWFQPFFINKHRMU-HSZRJFAPSA-N 551.709 4.531 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 260902715 DZTOFHWYSCGGCB-ROUUACIJSA-N 572.953 4.509 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)c1 260961874 HECNMAKBYJCLSU-SSEXGKCCSA-N 579.738 4.907 0 40 KJAB Cc1cccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)Nc2ccccc2F)c1 408573450 CNHBRSCZIBITTO-UHFFFAOYSA-N 509.335 4.812 0 40 KJAB Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1Cl 408574135 CKHZMOOAEWEFQM-UHFFFAOYSA-N 539.375 4.624 0 40 KJAB COc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)Nc2cccc(F)c2)cc1 408578026 RZKAWXOPYIYCJD-UHFFFAOYSA-N 525.334 4.513 0 40 KJAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 408617182 IJARWPZNPPQQKL-UHFFFAOYSA-N 553.420 4.631 0 40 KJAB CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(OCC)cc3)cc2Cl)cc1 408617860 DRIHONBSFFCEKG-UHFFFAOYSA-N 533.002 4.734 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccc(NC(C)=O)c3)o2)sc2c1CCCC2 408637190 GUOJKIZNHZRVBG-UHFFFAOYSA-N 500.602 4.543 0 40 KJAB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c(C)c1 408649393 DGZCZTCTHIWQLU-OJKWPBSESA-N 505.401 4.835 0 40 KJAB Cc1ccc(C(=O)[C@H](C)OC(=O)CN2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408651581 GWRQIBQSOXZYOC-DZFBIUJASA-N 548.422 4.703 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 408729365 DWFCNIMQXMTNHF-IGSWSUAKSA-N 565.445 4.526 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(I)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 408858731 OUYKPRTUDABPRV-WBNHJWIASA-N 708.166 4.530 0 40 KJAB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)NCc4ccccc4)c4ccccc34)N(C)C2=S)cc1 409133548 LIRDRAUQJKNMCL-PKAZHMFMSA-N 524.646 4.961 0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 409137865 YJZCEZDOOUVCJR-UHFFFAOYSA-N 545.636 4.941 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(I)cc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409141815 KEHCNQKJXLLPLW-UHFFFAOYSA-N 610.470 4.850 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3\C(=O)N(C(C)C)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 409162435 VGHGEJOWLRCHKO-OCAPFLRESA-N 607.732 4.848 0 40 KJAB COC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1I 409235564 CHJVOWGAMWDPBI-LZYBPNLTSA-N 712.687 4.776 0 40 KJAB COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1I 409276468 RONRYIVKTGUPLN-ZDLGFXPLSA-N 522.364 4.592 0 40 KJAB COc1ccccc1CNC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1 409367092 DZWWFZWCRQKLDH-UHFFFAOYSA-N 537.863 4.618 0 40 KJAB COc1cccc(C(=O)O[C@H](C(=O)Nc2ccc(Br)cc2Cl)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1 409388231 VBGYVLFZOAVCBQ-FCHUYYIVSA-N 606.809 4.594 0 40 KJAB Cc1nc(=O)c2c(C)c(C(=O)N3CCN(C(C)C)CCCN(C(=O)c4ccccn4)c4cc(F)ccc4C3)sc2[nH]1 643561497 PCCMVCDDSTWMKQ-UHFFFAOYSA-N 576.698 4.539 0 40 KJAB O=C(NCC[C@@H]1CCCCN1C1CCCC1)c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2 643584905 WZBXYQPABDQJTB-LJAQVGFWSA-N 505.703 4.693 0 40 KJAB CC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)Cc3ccc4c(c3)OCO4)Cc3ccccc31)N2Cc1nccs1 1615147882 WVXSCRRNGYUKSJ-RPBOFIJWSA-N 546.693 4.623 0 40 KJAB O=C(Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1)c1ccccc1C(=O)N1CCOCC1 709339 DXYQKTGSDCBKLB-UHFFFAOYSA-N 558.685 4.702 0 40 KJAB CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O 1374447 CMGPPVWKILFGFY-MUUNZHRXSA-N 524.625 4.734 0 40 KJAB COc1ccc(CN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@H]3c3ccc(Br)cc3)C2=O)cc1 2117014 KKZGDUQXZSELNI-RPLLCQBOSA-N 530.422 4.824 0 40 KJAB biogenic CCCOc1ccc(S(=O)(=O)N(Cc2ccccc2)S(=O)(=O)c2ccc(OCCC)cc2)cc1 2295264 XLEDRBRQFNSKLS-UHFFFAOYSA-N 503.642 4.844 0 40 KJAB COc1ccc(CCNC(=O)c2c(N)n(-c3ccc(Cl)cc3)c3nc4ccccc4nc23)cc1OC 2297723 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COc1ccc(CNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1OC 20041607 DBCDQIXUGWHKLG-UHFFFAOYSA-N 509.411 4.522 0 40 KJAB O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)Nc3ccc(I)cc3)ccc21 20765681 QFVOOEABJTYPRX-UHFFFAOYSA-N 518.376 4.685 0 40 KJAB CC[C@@H](C)N(Cc1nc(-c2ccc(C)cc2)no1)C(=O)COc1ccc(I)cc1 22257804 WGUVHPQMSBOUDH-MRXNPFEDSA-N 505.356 4.856 0 40 KJAB CCCN(CC(=O)Nc1ccccc1C)Cc1nc2ccsc2c(=O)n1CC(=O)Nc1ccccc1C 24775337 SQIBJUDCEXEIGO-UHFFFAOYSA-N 517.655 4.564 0 40 KJAB COc1ccc(NC(=O)[C@]23C(=O)Oc4ccccc4[C@H]2[C@]3(C)C(=O)c2ccc(Br)cc2)cc1 36034659 YPPOPCODFZWNJF-BYXVTNLJSA-N 506.352 4.988 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccc(OC)c(OC)c3)cc2)cc1 44838620 AOQKFMJHEKAGLC-MRXNPFEDSA-N 502.614 4.633 0 40 KJAB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1 44873515 QOODLCDAUUKPPT-UHFFFAOYSA-N 512.075 4.838 0 40 KJAB CCOCOc1cc(OCOCC)c(C(=O)[C@@H]2O[C@@H]2c2ccc(OCOCC)c(OCOCC)c2)c(OCOCC)c1 72130476 WRWKJNHZPLBAPY-IHLOFXLRSA-N 594.654 4.873 0 40 KJAB in-vitro COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCc5ccccc5)cc4)c(=O)n32)ccc1OC(C)=O 97946408 ARJULWCVKJDDFB-RIFKOAFWSA-N 626.731 4.947 0 40 KJAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3sc(=O)n(-c4ccccc4)c3Cl)[C@@H]2C(=O)N1c1ccc(F)cc1 97954031 LCXZCSHRMYPTQK-HBMCJLEFSA-N 521.957 4.743 0 40 KJAB CCOc1c(I)cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1I 97966522 VXOGPRKTYNIEKS-NVNXTCNLSA-N 563.104 4.778 0 40 KJAB O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1 97984631 QVAJBXJKUNROAA-UHFFFAOYSA-N 594.502 4.502 0 40 KJAB CCN(CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1cc(Cl)ccc1Cl 100108928 FBWXHXAHFWOXEZ-UHFFFAOYSA-N 546.520 4.938 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1OC 100364450 ZKRPRFPJXHFNIX-MHZLTWQESA-N 533.604 4.667 0 40 KJAB O=C(N1CCC(c2nc(O)c3nnn(Cc4cccc(F)c4)c3n2)CC1)C1(c2ccc(Cl)cc2)CCCC1 100469778 BEFCZISPLFFZFF-UHFFFAOYSA-N 535.023 4.986 0 40 KJAB COC(=O)c1ccc(NC(=O)CSc2nnc(CCCCCN3C(=O)c4cccc5cccc(c45)C3=O)o2)cc1 101373223 MGVWFZFIJBKLRA-UHFFFAOYSA-N 558.616 4.749 0 40 KJAB COc1ccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2cccc(C)c2)S3(=O)=O)cc1 102451522 YKJNENOOVMLVBO-UHFFFAOYSA-N 532.647 4.900 0 40 KJAB CCc1ccc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2CCCC(=O)NCc2ccc(OC)cc2)OCO4)cc1 102755558 OGDFYKHOYXKHMN-UHFFFAOYSA-N 588.686 4.524 0 40 KJAB C[C@@H](OC(=O)c1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1 102975546 HWXQQLWEZFYIKA-CQSZACIVSA-N 605.012 4.747 0 40 KJAB CCCCCON1C(=O)[C@H]2[C@H](C1=O)[C@H]1O[C@H]2[C@@H]2[C@@H]1[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 104085398 IQUSGTPFAJZVHP-IXIXTUEVSA-N 524.055 4.568 0 40 KJAB CCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)cc1Br 104148550 YPBUGERBVXCJJF-UHFFFAOYSA-N 567.937 4.933 0 40 KJAB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccc(I)cc1 104856295 SDBDZKDMDPKGMF-UHFFFAOYSA-N 515.332 4.932 0 40 KJAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 105317955 LFLRXRJHWZJXRC-UHFFFAOYSA-N 533.437 4.684 0 40 KJAB 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512.484 4.962 0 40 KJAB O=C(COC(=O)C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1 3262302 JWLIEDLWKUATEB-HSZRJFAPSA-N 551.423 4.993 0 40 KJAB COC(=O)c1ccccc1NC(=O)COC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 3275502 GOWHJMDGZJDPMP-UHFFFAOYSA-N 530.533 4.510 0 40 KJAB COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3ccc(Br)cc3)cc12 8584807 WDBRRALHYKEUMH-UHFFFAOYSA-N 529.368 4.721 0 40 KJAB CCOc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(Cc5cccc(C)c5)c(=O)n(C)c4nc23)cc1 9297632 PZKUPQURRAWRAF-UHFFFAOYSA-N 505.578 4.561 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c(C(=O)Nc3cccc(OC)c3)oc3ccccc23)cc1 9413763 XKHWSTONSGMZNH-UHFFFAOYSA-N 521.595 4.977 0 40 KJAB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)S(C)(=O)=O)c1 10365489 YHENOXGWRGKYQW-OAQYLSRUSA-N 529.684 4.514 0 40 KJAB Cc1ccc(C)c(-n2c(CNC(=O)c3ccccc3C(F)(F)F)nnc2SCC(=O)Nc2nnc(C)s2)c1 11852493 SKLLQXDJWJGSGG-UHFFFAOYSA-N 561.615 4.724 0 40 KJAB CCCNC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 19856808 WENGWTRHDNRNQX-UHFFFAOYSA-N 514.047 4.931 0 40 KJAB COc1ccccc1[C@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 20010875 WLPBYUPGEOLZLQ-KRWDZBQOSA-N 509.466 4.659 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccc(C(C)C)cc2)cc1 20028450 VCPOOZAZRJABRH-UHFFFAOYSA-N 505.684 4.658 0 40 KJAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C 36369555 XESODQRWBFMKEB-LAUKHPPBSA-N 500.683 4.679 0 40 KJAB COc1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC 59931295 VEFIDKZBJINJSC-UHFFFAOYSA-N 595.615 4.790 0 40 KJAB Cc1ccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(C)cc(Cl)cc43)[C@@]23C(=O)Nc2ccccc23)cc1 61997758 NMSPFJVOAUCHFT-BAAZAXTHSA-N 512.009 4.971 0 40 KJAB biogenic COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@H]4c2coc3ccc(OC)cc3c2=O)cc1 85878430 GLZKITASFGBKCS-KRWDZBQOSA-N 512.470 4.730 0 40 KJAB biogenic O=C(N=c1ccn(-c2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(Cl)cc1 97951750 YBOARNDFFBTHNP-UHFFFAOYSA-N 533.972 4.755 0 40 KJAB CCCCCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2CCCN2CCC(C(N)=O)CC2)cc1 98005920 BNNMNVQRFLHYDE-NDEPHWFRSA-N 593.794 4.564 0 40 KJAB O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1cccc(I)c1 100309746 FSASXEWDDWOZTN-UHFFFAOYSA-N 556.017 4.649 0 40 KJAB CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc(-c3cccs3)n2)c2ccccc2F)cc1 100329437 RCNNJHFAQPHOGT-XMMPIXPASA-N 536.633 4.629 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)cc1 102566833 BAKPNFHEWDEQGP-LJAQVGFWSA-N 561.704 4.604 0 40 KJAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 102974320 LABAPTOJMACTEU-UHFFFAOYSA-N 561.110 4.763 0 40 KJAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)Nc3ccc(I)cc3)c2)cc1 102975314 MHQWQFDYWCUWTJ-MRXNPFEDSA-N 578.428 4.838 0 40 KJAB COc1c(C(=O)NC(=S)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)cc2ccccc2c1Br 105309202 CTVWTMSUUDXKKP-UHFFFAOYSA-N 567.494 4.890 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 106359527 NTOUXPFOQFRHJE-IZBTWGKQSA-N 561.487 4.901 0 40 KJAB CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1Br 106755734 OWFDDCVUWGNSGJ-GDNBJRDFSA-N 532.254 4.659 0 40 KJAB CCOc1cc(C(c2c(C)n[nH]c2O)c2c(C)n[nH]c2O)cc(I)c1OCc1ccccc1 112265474 APTVMEUGKGCXIN-UHFFFAOYSA-N 560.392 4.923 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 222469313 YTGFYCBQHDIFHT-RBISFHTESA-N 569.699 4.752 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 222815529 NVKUFHIZCMVWOC-MUUNZHRXSA-N 595.762 4.848 0 40 KJAB CCc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@@H](CC)C(=O)NC(C)C)c(Br)c1 222835602 VIHUBPRHTFEUGO-QFIPXVFZSA-N 505.453 4.731 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 222841730 BTSWKRHADANNLF-HKBQPEDESA-N 585.726 4.585 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 223086898 INEBOEMOJKKRMO-WJOKGBTCSA-N 569.727 4.967 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 223258640 ICEBYZCDFGTCIE-GOSISDBHSA-N 588.863 4.985 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 223299131 IRUQHYFDXUPMIR-QDPGVEIFSA-N 525.649 4.618 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCc1ccc2c(c1)OCCO2 223542299 NHBIJXPWMMBVIM-VWLOTQADSA-N 551.481 4.929 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 224020150 MRJKNZDPDQFTQU-QFIPXVFZSA-N 572.127 4.714 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 224128859 DHAOKUZRYVCUEI-MUUNZHRXSA-N 570.155 4.889 0 40 KJAB CCCc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1 224199848 MLDUOZQYKTYJLG-UHFFFAOYSA-N 513.487 4.683 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 224564544 KFQKLNZBFOEVJG-GDLZYMKVSA-N 581.735 4.541 0 40 KJAB Cc1ccc(NC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)cc1N1CCCC1=O 224864437 RLMVSQBQWJEFTO-UHFFFAOYSA-N 505.640 4.957 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(C)(=O)=O 225043325 NBDDVIBHDDYEOX-SANMLTNESA-N 576.546 4.924 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 225086889 WAXYSCUSNBYSHQ-RBBKRZOGSA-N 536.138 4.835 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225163290 XQXGCWQLDXMDMH-IBGZPJMESA-N 542.529 4.873 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 225184227 UROAROGDNKLEDE-SFHVURJKSA-N 584.964 4.735 0 40 KJAB C[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 225480062 DENWMKAQPIMUHW-LLVKDONJSA-N 502.864 4.849 0 40 KJAB Cc1ccc(S(=O)(=O)c2c(Nc3cccc(F)c3)nn(CC(=O)Nc3ccc(C)cc3C)c2N)cc1 225529097 YPGHFDXJJKFRDX-UHFFFAOYSA-N 507.591 4.745 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225592366 XPVBVGBCNYTDQD-HHHXNRCGSA-N 556.128 4.581 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 225655146 BEDCKWYSWNHGOK-KDYSTLNUSA-N 557.663 4.882 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1 226010087 QECMOMDZRPPBQC-UHFFFAOYSA-N 640.183 4.972 0 40 KJAB CC(C)Cc1cc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N(C)Cc3ccccc3)C2)n(C)n1 257242888 IEPUHRZPXHTNRU-FIPFOOKPSA-N 520.649 4.716 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1 260799538 QCDGYPRZYIUDHT-XMMPIXPASA-N 593.746 4.684 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 260881682 BZUBLMIWWTYDBN-RTWAWAEBSA-N 536.138 4.781 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 260893528 LXBLAVRZHJAARI-RPWUZVMVSA-N 581.735 4.540 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 260929212 VWCZCOYKAOOKSI-RPBOFIJWSA-N 535.710 4.831 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 260929819 HJVSNYDQOZRRMQ-VXKWHMMOSA-N 572.127 4.876 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl 261060403 NSBCMPPMSQQVFV-HHHXNRCGSA-N 600.181 4.978 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 261120834 ZEGDBCBRKRNDMJ-HHHXNRCGSA-N 570.155 4.969 0 40 KJAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)S(C)(=O)=O)cc1 408546754 VAWAKFJQGODQFY-INIZCTEOSA-N 556.493 4.896 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1ccc(F)cc1 408585174 CCHVEANRACNKHX-UHFFFAOYSA-N 507.381 4.739 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 408617009 DRMWNNWWOKBBCR-UHFFFAOYSA-N 510.612 4.795 0 40 KJAB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 408640402 HWCPROVXCZHRGT-IZKJEYCLSA-N 631.106 4.709 0 40 KJAB CC(C)COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)cc2Cl)cc1 408661301 MIOMXGIBIOROCX-UHFFFAOYSA-N 539.810 4.816 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 408680595 NYXJEKFKQHPPMO-UHFFFAOYSA-N 610.527 4.570 0 40 KJAB Cc1c(Br)ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)c1C 408683039 HDUQXESRGAWOAW-KDURUIRLSA-N 513.388 4.541 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 408695557 REQWYVYNWZQZQY-UHFFFAOYSA-N 581.691 4.960 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc(C(=O)OCC)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408824130 POXPGOACGZOUMV-DEDRDRDXSA-N 656.757 4.961 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccccc4Cl)c(=O)n32)c(OC)c1 408979543 RMLLVWJVTCPIPF-RISWYLRJSA-N 546.048 4.545 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)Cc2c(Cl)cccc2Cl)cc1 409004943 GJBLCYAIIMDJBM-UHFFFAOYSA-N 521.422 4.903 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)c(=O)n2[C@H]1c1ccccc1Cl 409005156 CTVJNPHKLGWYDI-FQWZWQHVSA-N 602.112 4.778 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1 409105778 OPTMALYXRJGAMB-VXLYETTFSA-N 564.410 4.723 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)S(=O)(=O)c1ccccc1 409132011 ODWRCXICKOHSOX-UHFFFAOYSA-N 554.024 4.706 0 40 KJAB Cc1cccc(CSCCNC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c1 409165974 BOGKSGINWHAFNN-UHFFFAOYSA-N 580.513 4.845 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 409173963 QHORKVDEMKWUSG-UHFFFAOYSA-N 501.564 4.557 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409216747 LDUREHXLWWXXHS-WSDLNYQXSA-N 676.414 4.517 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1OC 409273903 MUSZALULIGWVSK-JAIQZWGSSA-N 577.453 4.691 0 40 KJAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2OCC(=O)O)C1=O 409275217 SOPRUDWFVOIPQC-REZTVBANSA-N 539.791 4.549 0 40 KJAB Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)cc2Br)cc1 409382268 ZOKXOXQMZRSRSN-HMAPJEAMSA-N 572.481 4.824 0 40 KJAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(I)c1OCc1ccccc1 409399749 LJKRLRKATOKYSL-NDENLUEZSA-N 602.381 4.741 0 40 KJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3)cc2)c1 409409578 IFZFGRCRDWUYOV-UHFFFAOYSA-N 521.620 4.849 0 40 KJAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2Cl)c1 409411768 LAROULXSZZXRMG-UHFFFAOYSA-N 502.011 4.859 0 40 KJAB CC(C)CN(CCC(=O)O)C(=O)c1cnc(N(C)CCc2ccccc2)nc1COc1ccc(Cl)cc1 585266449 BYTHCPMQIYSRKF-UHFFFAOYSA-N 525.049 4.961 0 40 KJAB COc1ccc(CN2CCC[C@@](O)(COc3ccccc3F)CC2)cc1OCCCN1CCCCCC1=O 585281008 VFBFNJUAEGSWRW-PMERELPUSA-N 528.665 4.802 0 40 KJAB CC(C)CC(=O)N1CCCN(C)CCN(C(=O)c2cccc(OCCN3CCCCC3)c2)Cc2ccccc21 643554573 LTGFRGSKHMLEBR-UHFFFAOYSA-N 534.745 4.908 0 40 KJAB Cc1ccc(S(=O)(=O)NCCC(=O)Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCCO5)c(C)oc3c2)cc1 627347 DJIIKXPVOXBKNG-UHFFFAOYSA-N 549.601 4.512 0 40 KJAB O=C(NC1CCCCC1)[C@@H](c1ccc(O)cc1)N(C(=O)[C@@H]1COc2ccccc2O1)c1ccc(F)cc1 930924 VSZRMAGUWIYVAE-RRPNLBNLSA-N 504.558 4.895 0 40 KJAB COc1ccc(N(C(=O)[C@H]2COc3ccccc3O2)[C@H](C(=O)NC2CCCCC2)c2ccc(C)o2)cc1 931088 ONELKMTWPLUAJF-SXOMAYOGSA-N 504.583 4.960 0 40 KJAB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)cc1 960046 SVBTVGISLNUDKT-UHFFFAOYSA-N 517.969 4.935 0 40 KJAB CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)sc(C)c1-c1ccc(C)cc1 2644030 IDRNFTZNNUXZAW-MUUNZHRXSA-N 517.607 4.541 0 40 KJAB C[C@@H](C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1)n1nc(C(F)(F)F)c(Br)c1C1CC1 2781717 UEBWCZNIVQSLLB-QMMMGPOBSA-N 537.383 4.755 0 40 KJAB COc1ccc(OC)c(NC(=O)c2cnn3c2N[C@@H](c2ccc(OC)c(OC)c2)C[C@@H]3C(F)(F)F)c1 3012543 VYVPTQQBYBPDFM-IIBYNOLFSA-N 506.481 4.830 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nnc(SCc2ccccc2)n1-c1ccccc1 3220195 RQMFFAXEWCWQRJ-UHFFFAOYSA-N 506.653 4.556 0 40 KJAB O=C(N[C@H](COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)Cc1ccccc1)c1ccccc1 5640037 CVULDJMCSSACEO-URLMMPGGSA-N 506.602 4.612 0 40 KJAB biogenic O=c1nc(C2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)[nH]c2c1nnn2Cc1ccc(Cl)cc1Cl 6161817 WGVZORYLLXCDHE-UHFFFAOYSA-N 569.474 4.591 0 40 KJAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3F)cc2Br)C1=O 8384048 XJQVRZUEPLTTDZ-DJKKODMXSA-N 524.364 4.775 0 40 KJAB COc1ccc(NC(=O)[C@H](c2ccc(OC)c(OC)c2)N(Cc2ccc(F)cc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 8712796 FGSJPVKFSKUIMS-HKBQPEDESA-N 611.626 4.790 0 40 KJAB CN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3ccc(Br)cc3)nnn2c2ccsc12 9116935 GSZPCKPHPBULTR-UHFFFAOYSA-N 514.430 4.571 0 40 KJAB CCOC(=O)C1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 9487048 PAQVXQGDRSWFRU-UHFFFAOYSA-N 509.415 4.517 0 40 KJAB COc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(F)cc3)c3cc(Br)ccc32)cc1OC 9948516 SUIAVQJYXPXJKA-VWLOTQADSA-N 514.347 4.613 0 40 KJAB COc1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2cc(C)ccc2OC)c(OC)c1 10299801 PFVDIVORCCMTRY-UHFFFAOYSA-N 519.019 4.817 0 40 KJAB COC(=O)c1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC(C)(C)C)c2ccc(C(C)C)cc2)cc1 12488076 DJRFONCMDMDTLI-SANMLTNESA-N 533.625 4.609 0 40 KJAB Cc1ccc(NC(=O)C2CCN(C(=O)CSc3nc4ccccc4c(=O)n3Cc3ccccc3)CC2)cc1 12563760 GYBAKGVMWROHTP-UHFFFAOYSA-N 526.662 4.723 0 40 KJAB CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCc1ccc(Cl)cc1 13576880 ZUMKFFWHSFJJAS-BPYKYCOYSA-N 500.064 4.536 0 40 KJAB O=C(CSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1)NC12CC3CC(CC(C3)C1)C2 14357643 JKUJNSVIJHDAFW-UHFFFAOYSA-N 527.650 4.672 0 40 KJAB O=C(Nc1c(Cl)cccc1Cl)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 20110210 BLHKBFATAZPSIA-UHFFFAOYSA-N 506.249 4.936 0 40 KJAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22232387 KVWGBZSCEBYLCX-GOSISDBHSA-N 503.020 4.571 0 40 KJAB O=C1CS[C@]2(C(=O)N(CN3CCN(Cc4ccccc4)CC3)c3ccccc32)N1c1ccc(Br)cc1 22574685 OXBSQKKJLYPWFW-MUUNZHRXSA-N 563.521 4.504 0 40 KJAB CCS(=O)(=O)c1ncc(N(Cc2cccc(F)c2)Cc2ccco2)c(C(=O)Nc2ccccc2F)n1 27793159 VUKPRASKAKNXMT-UHFFFAOYSA-N 512.538 4.601 0 40 KJAB CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(OC)cc1)C(c1ccc(Br)cc1)=N2 35397218 FJTSTQLYBKTAHY-UHFFFAOYSA-N 515.477 4.843 0 40 KJAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)Nc1ccc(Cl)c(C(F)(F)F)c1 44839821 YYDCYNVWLXTCOF-UHFFFAOYSA-N 501.892 4.717 0 40 KJAB COc1ccccc1[C@@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 59834711 GMRUGVWLVQMSJA-LJQANCHMSA-N 531.472 4.569 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1Cl 59930233 WGVFULNMIMDRDI-AREMUKBSSA-N 556.128 4.594 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)cc1N1CCCC1=O 60028523 UAZMCKYHOJSCOQ-UHFFFAOYSA-N 551.646 4.577 0 40 KJAB COc1ccc(CCNC(=O)COc2cc3c(c(OC)c2)C(=O)O[C@@H](C)CCCC(=O)CCCCC3)cc1OC 70701492 KWWRUHJDPCAAJZ-NRFANRHFSA-N 555.668 4.851 0 40 KJAB biogenic CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)n2-c2ccccc2OC)s1 97961561 CMALQRDOBJHNLQ-UHFFFAOYSA-N 594.119 4.693 0 40 KJAB CCOC(=O)C(=Cc1ccc(OCCCCOc2ccc(C=C(C(=O)OCC)C(=O)OCC)cc2)cc1)C(=O)OCC 98000136 FBCZKMVGUKTRBO-UHFFFAOYSA-N 582.646 4.944 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c(C)c1 100075738 BACLIVLLPFZKNW-UHFFFAOYSA-N 531.030 4.976 0 40 KJAB CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccccc2C)cc1 100363508 INJLRLLFUKJUPC-PMERELPUSA-N 538.652 4.922 0 40 KJAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)c(Cl)c1 100382406 LNCGUMQYWAGUGG-UHFFFAOYSA-N 553.084 4.755 0 40 KJAB COc1cc(C(=O)Nc2ccc3nc(SCc4cc(=O)n5oc(C)cc5n4)sc3c2)cc(OC)c1OC 101625640 QLEVVIVJCQILJY-UHFFFAOYSA-N 538.607 4.776 0 40 KJAB CCOc1cc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc(OCC)c1OCC 105315910 PLISEWVLNQYEIT-UHFFFAOYSA-N 576.719 4.972 0 40 KJAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cc4ccccc4cc3NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cc2)C[C@H](C)O1 150681620 CQWWVMJZBYEKBO-YOXCBORPSA-N 720.870 4.940 0 40 KJAB CC(=O)Nc1ccc(NC(=O)[C@H](SC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc2)cc1 215742302 SXSLIIZXPZJSMC-BNIKKZEQSA-N 532.691 4.624 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 222542710 FYMLFDYIPZMHBD-SFHVURJKSA-N 568.017 4.717 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCc4cc(Br)ccc43)c(C)c2)cc1 222806656 IWLGXDWIWSCYBC-UHFFFAOYSA-N 545.455 4.925 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1C 223000607 RCDIQJVGRBWINS-SFHVURJKSA-N 542.529 4.708 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 223104634 KCAPVFWGBVEUJZ-WJOKGBTCSA-N 585.726 4.667 0 40 KJAB Cc1c(Cl)cccc1N(CCCC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 223128412 MOJVSWONDQCNII-NRFANRHFSA-N 536.138 4.569 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 223215720 CNSRIQZTTNOKOR-LJAQVGFWSA-N 549.737 4.661 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 223321233 IHUXHXQDFRAYNF-NRFANRHFSA-N 548.920 4.746 0 40 KJAB O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 223397687 OGAWYTDVAWSJRF-INIZCTEOSA-N 509.377 4.870 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223434361 IWMSCECKWURCIW-JGCGQSQUSA-N 617.743 4.947 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 223445259 XFYYUNCFGWXTDP-DEOSSOPVSA-N 581.735 4.623 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223446122 LBTKEKPHNTYUBR-DEOSSOPVSA-N 641.787 4.640 0 40 KJAB CCc1ccc(OCCNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 223530897 ZOXWBFRYPGEPMK-UHFFFAOYSA-N 507.439 4.946 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 223655640 HTPMXBFQVLUMBW-MUUNZHRXSA-N 599.725 4.760 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 223671124 NCFSZWZFFHEGJM-SANMLTNESA-N 609.551 4.522 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 223738230 VWLCJADYUINNLS-HXUWFJFHSA-N 546.064 4.536 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 223804622 MOYZXQVNKQWRJU-OAQYLSRUSA-N 572.953 4.592 0 40 KJAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(SC)cc1 224075568 CCINZCGAXTXKDC-QHCPKHFHSA-N 583.776 4.598 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1OC 224367752 GSILXKKLSPNZKN-SANMLTNESA-N 616.180 4.678 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224512119 NVIRVEUEMXTVJF-OAQYLSRUSA-N 546.492 4.622 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224589077 AXANQFIKQGJHRT-HHHXNRCGSA-N 606.572 4.934 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 224746377 JAMHZTACAXHPMW-GDLZYMKVSA-N 549.737 4.741 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 224850397 HHXSHVKXQYVOQA-HSZRJFAPSA-N 539.673 4.581 0 40 KJAB 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CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O 224070833 UQNRXERXCUYWIF-MHZLTWQESA-N 529.747 4.561 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 224469978 IKRYAUHKKREZLV-AREMUKBSSA-N 636.598 4.943 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 224527351 VHPHLKMDDGKKAY-NDEPHWFRSA-N 553.700 4.909 0 40 KJAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 224615996 QDIIXIVJUYNOHR-KPNMYWBWSA-N 579.807 4.906 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 224675297 KDPVGVJGDCGSIA-VWLOTQADSA-N 535.710 4.751 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 224851317 ZMBYBYPIDMUTGO-FQEVSTJZSA-N 590.515 4.727 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 224863159 DDHOZVDZCRKWFD-QFIPXVFZSA-N 539.673 4.527 0 40 KJAB CCOc1ccc(N(Cc2ccc(C(=O)Nc3ccc4c(c3)sc(=O)n4CC)cc2)S(C)(=O)=O)cc1 225119291 ORFBLRIGYQAWDD-UHFFFAOYSA-N 525.652 4.700 0 40 KJAB CCOC(=O)c1cc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)ccc1Cl 225251898 FCRDDQIDKOZZTP-UHFFFAOYSA-N 535.818 4.728 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225474650 KBLVFWDJDCWTGD-WNCULLNHSA-N 581.735 4.621 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 225512731 VMQANIYENKVHPF-AOYPEHQESA-N 529.747 4.880 0 40 KJAB COc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3Cc3ccc(F)cc3)n2)c(OC)c1 225531886 DMYUMKPWAYTEDT-UHFFFAOYSA-N 504.543 4.943 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 225565390 SJFLZPRPFXDEMR-NRFANRHFSA-N 648.178 4.512 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(C)c2cccc(OC)c2)Cc2ccccc2)cc1Cl 226068465 WMMUBYCSDPIWAJ-UHFFFAOYSA-N 503.020 4.601 0 40 KJAB Nc1nc(OCc2ccccc2)c2ncn([C@@H]3C[C@H](OCc4ccccc4)[C@@H](COCc4ccccc4)[C@H]3O)c2n1 256830471 SYPCZZWUNIHLBU-CITHKVLSSA-N 551.647 4.712 0 40 KJAB Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CCCN(Cc3ccc4[nH]ccc4c3)C2)ccc1Cl 257327331 XAYPPCJMQALOJW-LJAQVGFWSA-N 509.094 4.955 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)c1 260723716 HIWAAUHQHBWKPR-JOCHJYFZSA-N 542.101 4.786 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](CC)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260762382 POWJCXKLNRTXBU-AREMUKBSSA-N 564.148 4.761 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 260789891 LKNMLBXSEKQHEQ-HXUWFJFHSA-N 534.122 4.535 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260826332 YUTWEPVXKQXSHE-HXUWFJFHSA-N 534.122 4.535 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@H](CC)C(=O)NC)S(=O)(=O)c1ccc(SC)cc1 260854024 DWCDGEIWBYBVCH-RUZDIDTESA-N 569.749 4.556 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 260864277 ABQLETWCRCDXNX-UTKZUKDTSA-N 572.953 4.591 0 40 KJAB COc1cccc(N(CCCC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1 260879608 NDCPOWMTCIKRPO-SSEXGKCCSA-N 579.763 4.715 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 260950993 JTRWTTQEFZVSMN-OAQYLSRUSA-N 572.127 4.876 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 260981611 BCESPLPOCHXQPY-PKTZIBPZSA-N 569.699 4.670 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 260995673 QSHKIFXVEMLOCO-CVEARBPZSA-N 548.920 4.745 0 40 KJAB CCc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCc1cccnc1)S(=O)(=O)c1ccc(C)cc1 408574727 KRYIFRZNGIOORM-UHFFFAOYSA-N 542.661 4.716 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)S(=O)(=O)c2ccccc2)c1 408616983 DOCCNBCAPIJFMP-UHFFFAOYSA-N 551.665 4.554 0 40 KJAB CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccccc4)cc3)CC2=O)cc1 408638243 QFCKPAHYJKUOSE-DEOSSOPVSA-N 543.572 4.642 0 40 KJAB 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(F)(F)F)cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408937442 JIUATFKIFHRRSV-XOYGFPHKSA-N 530.568 4.604 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 408986903 NRQCECKJPWMNFR-VEOZPNHKSA-N 682.536 4.566 0 40 KJAB Cc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cc(I)cc3C)o2)cc1 409004513 BICASOVALWOBFJ-UHFFFAOYSA-N 509.369 4.909 0 40 KJAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(O)c(Br)c3Br)C2=O)cc1 409086267 GQSMUIRSHAEWMX-OQLLNIDSSA-N 586.258 5.000 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OCC)c3)C2=O)cc1OC 409167269 HXOSHPZQQBEKDB-KEBDBYFISA-N 702.907 4.747 0 40 KJAB COC(=O)C[C@H](c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O)c1ccnc2ccccc12 524730286 DGAOYARMUULRJP-AFJIDDCJSA-N 514.534 4.572 0 40 KJAB biogenic CC[C@@H]1OC(=O)[C@@H](C)C(=O)[C@@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@@](C)(OC)C[C@H](C)C(=O)[C@@H](C)[C@@H]2N(C3CN([C@@H](C)c4ccnc5ncccc45)C3)C(=O)O[C@@]12C 1529028398 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Cc1cc(C)c(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)c2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1 2644044 KVVISFVXGLMVKQ-NDEPHWFRSA-N 572.731 4.799 0 40 KJAB COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(COc4ccc(Br)cc4)cc3)cc2)ncn1 2760232 UBEISHBREAXNOB-UHFFFAOYSA-N 569.437 4.880 0 40 KJAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@@H](NCCCn3ccnc3)C[C@@H](c3ccccc3F)N12 8636137 SDLOMCXOGDYEDI-OQVMAISDSA-N 501.606 4.528 0 40 KJAB biogenic,in-vitro COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(C(=O)NC4CCC(C)CC4)cc2)C(=O)[C@]31C 8918322 XSHANCURWIIYQQ-BWHVJGLUSA-N 500.599 4.725 0 40 KJAB biogenic CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3ccccc3)C2)cc1 9380872 HSZLMIZTJMWDLC-HSZRJFAPSA-N 504.033 4.642 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C2CCCCC2)cc1 12705545 SHUDZGNVEGKTFL-MHZLTWQESA-N 534.661 4.602 0 40 KJAB COc1ccccc1CN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)[C@@H](c1nnnn1C(C)(C)C)C(C)C 13498827 ZAQSCIVIFWQXDC-AREMUKBSSA-N 534.661 4.695 0 40 KJAB 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CCOC(=O)c1sc2sc(C(=O)OCC)c(CN3C[C@H](C)O[C@@H](C)C3)c2c1CN1C[C@H](C)O[C@@H](C)C1 245227801 VRPXANKHBJINKX-XSLAGTTESA-N 538.732 4.535 0 40 KJAB CN(Cc1ccccc1)C(=O)C[C@@]1(COc2cccc(Cl)c2)CCCN(C(=O)CN2CCCCCC2=O)C1 257311048 UHSKYRLZEIYFIK-PMERELPUSA-N 540.104 4.779 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](CC)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 260707703 RUKPTAXOANGTGE-GDLZYMKVSA-N 565.736 4.785 0 40 KJAB Cc1cccc(CN(C(=O)CCCN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1 260737299 MAKZGVKLEIVEKW-HXUWFJFHSA-N 541.636 4.502 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(OC)c2)[C@H](Cc2ccccc2)C(=O)NC)c2ccccc2)cc1 260762335 PEZAHIRAJLFKFF-JGCGQSQUSA-N 615.752 4.675 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)[C@H](C)C(=O)NC2CCCCC2)c1 260765176 FCXDDYFBRSJQSZ-XMMPIXPASA-N 683.824 4.791 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC)c2ccccc2)cc1 260765891 STRNOMJBHCOMNT-WJOKGBTCSA-N 585.726 4.667 0 40 KJAB 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NWQPVUDKFRZZBS-UHFFFAOYSA-N 567.623 4.572 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2c1 1382407 DMSRGPGSUGHBHJ-SANMLTNESA-N 563.584 4.649 0 40 KJAB COCCCn1c(NS(=O)(=O)c2ccc(C)cc2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 1826059 IPEQXIYWZBVYBC-UHFFFAOYSA-N 564.689 4.871 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(C)c4ccccc34)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 2149223 QKCWOISHWFVMPC-LRUGRNCASA-N 551.668 4.760 0 40 KJAB O=C(OCCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(C(=O)c2ccccc2)cc1 3227340 VVMCVQNNCOJWIR-RAWLKHAVSA-N 527.576 4.967 0 40 KJAB CCOC(=O)Cc1csc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)ccc2Cl)n1 3231591 ACLMCZABRMXGHS-UHFFFAOYSA-N 508.021 4.572 0 40 KJAB CCOc1ccccc1NC(=O)COC(=O)[C@@H](C)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 6163780 UOFORFPKUJSFPN-SECBINFHSA-N 534.179 4.865 0 40 KJAB CN1CCN(c2ccc(NC(=O)c3cc(Br)cc(Br)c3I)cc2)CC1 6287880 CNNFJBHEEXVMFA-UHFFFAOYSA-N 579.074 4.820 0 40 KJAB COc1ccc(CCNC(=S)N(Cc2ccco2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1OC 6300508 JJINOLKGMYQLQZ-UHFFFAOYSA-N 505.640 4.875 0 40 KJAB COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(Cc4cccc(C)c4)c3=O)cc2)cc1OC 8648281 HQHKDQNJPLQLNL-UHFFFAOYSA-N 563.654 4.558 0 40 KJAB biogenic Cc1cc(Br)c(Cl)cc1NC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@H](c4ccccc4)[C@@H](C3)[C@@H]2C1=O 8682912 GHMLOAUJNIAWRA-IDNPNKOWSA-N 501.808 4.774 0 40 KJAB COc1cccc([C@H]2CN3C(=O)CN(CCc4ccc(F)cc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)c1OC 8789345 HVBLCHWWYFFDSR-IPBJYNAHSA-N 527.596 4.598 0 40 KJAB biogenic O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 9427810 DAQUNTKUSAKCBQ-WZYRSQIMSA-N 505.361 4.511 0 40 KJAB C[C@H]1Cc2nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n(Cc3ccccc3)c(=O)c2S1 11726601 PHKRXBRQPGRGSN-AWEZNQCLSA-N 507.559 4.958 0 40 KJAB COc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCCC(C)C)c1ccc(F)cc1 12713043 LFWYTUPPADDAEN-HHHXNRCGSA-N 503.578 4.516 0 40 KJAB CCOc1ccc(C(=O)Oc2coc(CSc3nnc(NC(=O)C(CC)CC)s3)cc2=O)cc1 16047873 PHKVGYZTNJVHSV-UHFFFAOYSA-N 503.602 4.776 0 40 KJAB Cc1cccc(N2CCN([C@H](c3cc4c(C)ccc(C)c4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)c1C 20079526 XXEMUYYLTCINSV-SSEXGKCCSA-N 533.680 4.708 0 40 KJAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 22847559 XHXMQZONUDGINR-UHFFFAOYSA-N 523.058 4.746 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(CN3CCCC3)cc2)c2ccc(C)cc2)cc1 44857330 AZKSRPZYWOZLDD-UHFFFAOYSA-N 521.683 4.501 0 40 KJAB COc1ccc(N(CC(=O)N[C@@H](C)c2cccc(Br)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1 59836465 QNZVCDVHNUVSRN-SFHVURJKSA-N 547.471 4.847 0 40 KJAB Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 60028884 OBRYFBGVCQTULT-UHFFFAOYSA-N 571.080 4.678 0 40 KJAB COc1ccc(CCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc1OC 70669774 YUWGXSXYSGVFTE-QHCPKHFHSA-N 548.636 4.535 0 40 KJAB biogenic CC[C@@H](c1nnc(SCC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)n1Cc1ccccc1)N(C)C 89948056 RMUUGPXFSWKEQF-QHCPKHFHSA-N 503.676 4.872 0 40 KJAB COc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 97960087 HXBGGUZQFBYDAW-ZDLGFXPLSA-N 570.380 4.901 0 40 KJAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCc3cccc(C(F)(F)F)c3)n2-c2ccc(F)cc2)cc1 97961642 LIPITICMGZIUOA-UHFFFAOYSA-N 593.628 4.898 0 40 KJAB O=C1[C@H]2[C@@H](C(=O)N1c1cc(Cl)ccc1Cl)[C@H]1CCCN1[C@]21c2ccccc2-n2c1nc1ccccc1c2=O 101487444 JSQUVSBDJKAQBK-KBADEGBASA-N 543.410 4.533 0 40 KJAB CCOC(=O)c1sc(NC(=O)CSC2=N/C(=C/c3cn(C)nc3C)C(=O)N2c2ccccc2)c(C(=O)OCC)c1C 101611110 GEEGREGMXLHVKQ-DEDYPNTBSA-N 595.703 4.567 0 40 KJAB CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccc(OC)cc3)C(=O)N12)C(=O)Nc1cccc(OC)c1 102746912 GAQCLZDVMAHVPD-UIOOFZCWSA-N 585.686 4.519 0 40 KJAB CCN(c1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1)S(=O)(=O)c1ccc(SC)cc1 216428957 FIWGEPWILQXQGU-UHFFFAOYSA-N 506.653 4.739 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 222618192 FCQUSHJSJWVWOR-MUUNZHRXSA-N 569.699 4.670 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 222674973 ACJPVAQENPKZLS-HHHXNRCGSA-N 614.606 4.899 0 40 KJAB CC(C)CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 222713648 XKMZMPJKNDTRNC-JOCHJYFZSA-N 555.672 4.585 0 40 KJAB CC[C@@H](C(=O)Nc1nnc(SCc2ccccc2)s1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 222855178 ASMMGYVOOQTGJH-KRWDZBQOSA-N 511.094 4.976 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223109804 YVIRSEKWEIIMSP-SSEXGKCCSA-N 615.752 4.675 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223180388 XSDIJDLNSGOPGF-PMERELPUSA-N 579.738 4.611 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 223260221 NJTHOYJPRYCSDB-HSZRJFAPSA-N 553.700 4.917 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 223377787 MXJBZRPRPXHTIX-RUZDIDTESA-N 562.519 4.536 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223432833 UEHVPAFHMQECDF-SSEXGKCCSA-N 651.732 4.954 0 40 KJAB O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCCOCc1ccccc1 223522560 ITVGBBHNVWJZPX-UHFFFAOYSA-N 526.964 4.887 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H](C)c2ccccc2)c2cccc(Br)c2)cc1 223568072 RQOANYWUAZQERG-LJQANCHMSA-N 501.446 4.873 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 223640311 FRPYPUPKRKKXPV-AMGIVPHBSA-N 596.149 4.820 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 223702153 ZHVGYYLVRKOISQ-RUZDIDTESA-N 622.571 4.553 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 223733079 ABUUAYRGJRLEJY-KDYSTLNUSA-N 665.569 4.751 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223823551 GAMBFAUCENCHLC-QFIPXVFZSA-N 542.529 4.792 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 223825481 HDUZZJGPPRLJPU-SFHVURJKSA-N 556.075 4.641 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)c2ccccc2)cc1 223882176 XQTNTPVDEBQJDW-QHCPKHFHSA-N 581.710 4.896 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 224008198 ACWOBVIMLFDERG-VVFBEHOQSA-N 609.789 4.805 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224082381 DDDWSNVCYZMXNE-HHHXNRCGSA-N 589.680 4.946 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 224272731 PIDKZJYHDOKZGB-IBGZPJMESA-N 542.529 4.729 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 224381137 NAAJUESEWICNKZ-IBGZPJMESA-N 542.529 4.584 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 224417566 BDFNPDOSFAJKSA-IBGZPJMESA-N 542.529 4.584 0 40 KJAB Cc1ccc(Cl)cc1N(CCCC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O 224631691 PVPRTYFSDKUHMD-IBGZPJMESA-N 542.529 4.790 0 40 KJAB CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCCC1)c1cc(Cl)c(Cl)cc1Cl 224820415 GUFDAFOUBGDRHG-UHFFFAOYSA-N 518.894 4.715 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 224821904 KXFDMBWSERGNTF-JOCHJYFZSA-N 602.153 4.804 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c1 224823023 YZFRTEALTWQDBB-QHCPKHFHSA-N 581.710 4.896 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224842186 FFVYQUZVURDAPP-XMMPIXPASA-N 614.592 4.890 0 40 KJAB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 224912563 AHQCBCAHZQSRKC-HHHXNRCGSA-N 594.133 4.574 0 40 KJAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225061541 BQCYOELROBFVLC-LJQANCHMSA-N 542.529 4.526 0 40 KJAB 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4.781 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 223393318 VKRALSAIDWFEIC-HHHXNRCGSA-N 574.118 4.802 0 40 KJAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 223519723 CRGCJYDTUDLOSI-HSZRJFAPSA-N 556.128 4.911 0 40 KJAB COc1ccc(N(CC(=O)NCCOc2ccc3ccccc3c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 223589297 VNIPDQKAMACXMN-UHFFFAOYSA-N 534.634 4.556 0 40 KJAB O=C(NCCOc1ccc2ccccc2c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 223612328 GZUIMOKEDFXHDF-NRFANRHFSA-N 521.466 4.884 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 224083325 MXMSGHHOMMKRGJ-MUUNZHRXSA-N 570.155 4.889 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 224258048 LHNAFVKJKFELTO-NDEPHWFRSA-N 570.155 4.889 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(OCC)cc1)S(C)(=O)=O 224472727 KADDUKBGHVDOOS-XMMPIXPASA-N 572.555 4.882 0 40 KJAB 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O=C(NCCSCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 140366369 HBTUQELWDDFRQN-UHFFFAOYSA-N 545.952 4.694 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 150389592 RUPYVHMYHGRBAP-WYLTYJJASA-N 653.507 4.536 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc(I)c1OCC(=O)OC 215221250 XRSCNBZMRKLYPF-KPSZGOFPSA-N 631.828 4.860 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1 222726509 SFLHRHAHNGSWME-KRWDZBQOSA-N 562.054 4.765 0 40 KJAB CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(OC)cc1 222770875 CRWOZWFDWQMSQS-MRXNPFEDSA-N 501.417 4.535 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2cccc3cccc1c23 222840820 HJTVQXXJJYMNGI-RUZDIDTESA-N 501.627 4.921 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 223206600 LDHGSKHNYLUIFD-HHHXNRCGSA-N 593.746 4.684 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223245830 WUVAYPYYIHWFFK-RUZDIDTESA-N 578.518 4.751 0 40 KJAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 223484194 CHYMVRZNYOLKKO-FOLBZMNXSA-N 565.780 4.516 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 223493515 PFDVFGHEIRJJBS-QFIPXVFZSA-N 602.153 4.886 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 223730646 OIZPDCPMPCPHQN-MUAVYFROSA-N 567.727 4.763 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 223752121 BOUSFWTZBDDFRD-FQEVSTJZSA-N 576.090 4.627 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2nnc(SCC(C)C)s2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 223830450 OEFHJFLMMAIFEY-UHFFFAOYSA-N 566.727 4.536 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)cc1 223871850 NHFJSJMBNRZLIN-QHCPKHFHSA-N 581.710 4.896 0 40 KJAB COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC 224086131 WCYDRCSKZHRECN-VWLOTQADSA-N 607.773 4.726 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 224233794 FCXQPPFHQVGJRX-NDEPHWFRSA-N 535.710 4.751 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 224442058 QFKZOXWDTYKGJA-SANMLTNESA-N 592.108 4.939 0 40 KJAB O=C(O)c1cc(C(=O)O)cc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)c1 224618480 CEAXIAOXSIMNDU-PKTZIBPZSA-N 501.520 4.621 0 40 KJAB Cc1ccccc1CN(C(=O)COc1ccc(I)cc1)[C@@H](C)C(=O)NC1CCCCC1 224700085 SHACDPBKVVEXOP-IBGZPJMESA-N 534.438 4.845 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 224707879 LWLXHHRLURURNQ-VWLOTQADSA-N 535.710 4.751 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 224985221 KEAQWXKHJMXQDR-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3I)cc2)cc1 225018359 JCFSYHMHQFSHHX-UHFFFAOYSA-N 522.364 4.661 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225118888 JNAXOMHFPRNBJP-AREMUKBSSA-N 571.740 4.526 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 225177083 FGGHCCKZMOAPEA-DEOSSOPVSA-N 556.075 4.641 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(OC)cc2)ccc1OC 225303199 IOYXXRQWMWFMJI-WUFINQPMSA-N 543.649 4.652 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 225391992 CJMREENPEHAEOB-NDEPHWFRSA-N 551.709 4.533 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 225550304 MOJAXRZXVAHGRW-ZEQKJWHPSA-N 515.720 4.572 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c2ccc(Cl)cc2)cc1 225685940 SKJNFLVRDDKEHN-QHCPKHFHSA-N 556.128 4.828 0 40 KJAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)c1 225788648 URNULZWLAYLETQ-UHFFFAOYSA-N 503.001 4.742 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)Cc2ccc(Cl)c(Cl)c2)cc1 226015712 DSTQMKBCYVAAOL-UHFFFAOYSA-N 584.547 4.690 0 40 KJAB COc1ccc(CN(C)C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 226019548 RGJJRCPXJQYEID-UHFFFAOYSA-N 507.439 4.852 0 40 KJAB CCC1(CC)C[C@@H](NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)c2ccccc2O1 260769665 QLQSGOAZLJBZMI-ATIYNZHBSA-N 506.624 4.842 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)c1 260787366 LEZWDBFIKBUMSJ-OAQYLSRUSA-N 534.122 4.589 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 260805009 QOQLEYXTNAEXFE-GOSISDBHSA-N 570.539 4.634 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 260810716 UBSXBYQBNPQCPV-XMMPIXPASA-N 595.762 4.848 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 260904455 BPXCQRIGCWVFRR-MUUNZHRXSA-N 661.606 4.778 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 260920180 GMWHKSYEIRWGOJ-GOTSBHOMSA-N 556.128 4.910 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 260937287 IIYDHXYSQZOSPC-GOTSBHOMSA-N 539.673 4.661 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O 260940477 IOVRFXOLGPMBNK-IERDGZPVSA-N 546.492 4.621 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 260964307 ZRKCGXNISQHVSV-MUUNZHRXSA-N 570.155 4.827 0 40 KJAB CN(C)S(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)c1ccccc1 260989039 MYMXSPCOLMEYGP-HHHXNRCGSA-N 585.170 4.508 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 261014104 UXHJXOQIZSBLQS-CPJSRVTESA-N 566.164 4.925 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC)S(C)(=O)=O 261047046 LJWKZRQAAIWHCV-AYWVHJORSA-N 579.763 4.578 0 40 KJAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)cc2F)CC1 408560714 POVYQAXYTHKQIE-UHFFFAOYSA-N 519.820 4.680 0 40 KJAB Cc1ccc(C)c(NC(=O)C(=O)Nn2c(C(=O)Nc3ccccc3)cc3cc(Br)ccc32)c1 408572904 BRDFYBGSSSWABI-UHFFFAOYSA-N 505.372 4.982 0 40 KJAB C[C@H](Oc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1)C(=O)N1CCOCC1 408611337 WQQRXVGGTDDJQU-SFHVURJKSA-N 517.003 4.559 0 40 KJAB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](c5ccccc5)C[C@H]4C3=O)c2)c(OC)c1 408683115 HKUDHZWWOFNMKO-BUUDZMLXSA-N 542.588 4.573 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C(=O)OC)ccc4C)o3)c(=O)n2[C@@H]1c1ccccc1Cl 408833048 RIQSKUATDGNYIJ-KMBIYUNPSA-N 577.058 4.807 0 40 KJAB O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 408936457 JWUJWHQUGKAHQF-UHFFFAOYSA-N 518.466 4.533 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 409019408 IXFYETNZLHRYNQ-YZSQISJMSA-N 639.105 4.890 0 40 KJAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 409026513 RCWHFXRNRXBCIK-UHFFFAOYSA-N 599.709 4.777 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(C)c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409038228 OWHPSHSHJNBUMM-HTDPGAKESA-N 686.783 4.645 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC(C)C)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409039061 WDPABDCATGTTBM-DVUZPASPSA-N 717.635 4.697 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(OC)c(I)c3)c2=O)=N1 409039577 RKAJCQAVPLYCEZ-JGTYQCAFSA-N 652.938 4.854 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cc(Cl)c(O)c(OC)c3)c2=O)=N1 409041786 JTAVUYISJNWDKH-YOKWNPFVSA-N 621.937 4.717 0 40 KJAB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)c(Br)c3)C2=O)ccc1Cl 409150262 BDIDOSZOUCHEIA-CAOOACKPSA-N 539.791 4.573 0 40 KJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(=O)Nc4ccccc4C)cc3)C2=O)c1 409156614 KZOFCAYMOHMRDF-IWIPYMOSSA-N 515.591 4.996 0 40 KJAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1 409209914 GWZIMZHBCFMEDZ-CIAFOILYSA-N 554.372 4.707 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc(I)c1O 409374152 KGRAEGVDKANEHS-RQZCQDPDSA-N 552.390 4.606 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409387319 PVAJBWPZSICJNS-HMAPJEAMSA-N 649.507 4.675 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1Br 409394000 UEKUZIJJMSSPCL-NVMNQCDNSA-N 566.271 4.541 0 40 KJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2C)c1 409411727 KOAKAYDOMSEWOA-UHFFFAOYSA-N 527.668 4.531 0 40 KJAB CCc1nccn1Cc1cc(CN2CCC(N=c3nc[nH]c4sc(C(=O)N5CCCC5)c(C)c34)CC2)ccc1OC 585293264 DSCBTAYFXITBHS-UHFFFAOYSA-N 573.767 4.550 0 40 KJAB COCC(=O)N1CCCN(C)CCN(C(=O)c2cnc(N(C)CCc3ccccc3)nc2CCc2ccccc2)Cc2ccccc21 643560429 YMDHQCACSMNNTH-UHFFFAOYSA-N 634.825 4.898 0 40 KJAB COc1cc(NC(=O)c2nc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n2)cc(OC)c1OC 869868 BKPXJBAKTNCEEY-UHFFFAOYSA-N 507.856 4.742 0 40 KJAB COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)cc1O 906207 USRHWGIHZSOSPG-SSEXGKCCSA-N 555.635 4.572 0 40 KJAB CCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 923719 XEPUXBUNYMICBN-UHFFFAOYSA-N 579.704 4.509 0 40 KJAB CCCc1cc(=O)n2c(C(=O)Nc3ccc(Br)cc3)c(C(=O)Nc3ccc(C(=O)OC)cc3)sc2n1 1320788 OEUZXENYRCBMJP-UHFFFAOYSA-N 569.437 4.762 0 40 KJAB Cc1ccccc1[C@H](C(=O)NCc1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21 1372532 CWCCGUBGOMQBCQ-WJOKGBTCSA-N 547.615 4.555 0 40 KJAB Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@@H](O)CN1C[C@@H]2CCCC[C@@H]2C[C@@H]1C(=O)NC(C)(C)C 1995485 QAGYKUNXZHXKMR-XLOGNDFISA-N 567.796 4.748 0 40 KJAB CCOc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCc4ccc(OC)cc4)CC(=O)N32)cc1OC 2123213 UDCMYPQGYYHHMF-HVNZXBJASA-N 539.632 4.511 0 40 KJAB biogenic Cc1ccc(-c2csc3nc(SCC(=O)Nc4ccc(S(N)(=O)=O)cc4)n(-c4ccccc4)c(=O)c23)cc1 3202616 LOJVTCMQAOCKKJ-UHFFFAOYSA-N 562.698 4.801 0 40 KJAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCCNC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)cc12 3419181 ZYNBLGNXZJSFLH-UHFFFAOYSA-N 587.123 4.810 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)c(Cl)c3)c(=O)n2[C@@H]1c1ccccc1Cl 8749037 PRWMFUOOXYTBFI-ZMUHTPIZSA-N 507.826 4.759 0 40 KJAB CC(=O)Nc1ccc(NC(=O)c2ccc(N3C(=O)N4CCc5c([nH]c6ccccc56)[C@@]4(C)C3=O)cc2)cc1 8918132 DNXQWMCZENSMJB-LJAQVGFWSA-N 507.550 4.619 0 40 KJAB biogenic CC(C)CCNC(=O)[C@@H](c1ccc(F)cc1)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21 12712829 NTZHCJYJFIUIRM-MUUNZHRXSA-N 501.606 4.545 0 40 KJAB CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O 13499302 CHEDUFQRLCUMNA-AHWVRZQESA-N 504.610 4.685 0 40 KJAB CCOC(=O)CNS(=O)(=O)c1cc(-c2nnc(Nc3ccc(Cl)cc3)c3ccccc23)ccc1C 16945269 KRGQJLYCGOIIIN-UHFFFAOYSA-N 511.003 4.844 0 40 KJAB Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N(Cc3cccs3)C[C@@H]3CCCO3)c(=O)[nH]c2c1 20082696 CFFHIHZQHACMSD-OFVILXPXSA-N 504.660 4.770 0 40 KJAB O=C(c1ccc(Cn2c(=S)[nH]c3ccc(Br)cc3c2=O)cc1)N1CCN(Cc2ccccc2)CC1 59525607 ROWZDAAYQIPPJZ-UHFFFAOYSA-N 549.494 4.828 0 40 KJAB CC(=O)[C@@H]1[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N12 70681026 AUYJNRMFCZKGOK-KWYVSSJISA-N 506.558 4.676 0 40 KJAB biogenic COc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccccc23)cc1OC 97987032 LLAVVZPVJNTBFG-UHFFFAOYSA-N 540.399 4.634 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OCC)cc3)N(CCc3ccccc3F)C2=S)cc1 97995810 XVIXHDZUZPUFSB-SANMLTNESA-N 563.651 4.975 0 40 KJAB COC(=O)c1c(NC(=O)CCCS(=O)(=O)c2nc(-c3ccc(OC)c(OC)c3)cc(C(F)(F)F)n2)sc2c1CCC2 98043172 VLDDZUDVXUNJTR-UHFFFAOYSA-N 613.636 4.709 0 40 KJAB Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(Cl)cc2)c1C 100290185 GIHGPSGDZWDONL-DEOSSOPVSA-N 548.068 4.799 0 40 KJAB COc1ccc([C@@H]2NC(=O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)cc1I 102081365 WNIBNBNVCLEGMV-OAQYLSRUSA-N 531.419 4.774 0 40 KJAB CCCCCCc1cc2c3c(c(=O)oc2cc1OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)CCCC3 102158345 QZDIAEBISLSSLG-UHFFFAOYSA-N 582.719 4.833 0 40 KJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(N(C[C@H](O)Cn3c4ccccc4c4ccccc43)S(C)(=O)=O)cc2)cc1 103691462 JGGQBFHWJPIVQP-RUZDIDTESA-N 577.728 4.755 0 40 KJAB O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 105318641 ICTKBXRWHQLCKB-BQYQJAHWSA-N 522.499 4.828 0 40 KJAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)cc(Cl)c1O 106737768 SGHBLHSMQPDTIO-NVNXTCNLSA-N 501.729 4.895 0 40 KJAB O=C(NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccccc1I 109939777 RSPPQZCGKAAJAT-UHFFFAOYSA-N 561.788 4.872 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 111470634 YYYJYINAFRFIPX-YMSBRDKKSA-N 567.436 4.960 0 40 KJAB NS(=O)(=O)c1ccc(NC(=O)CSc2ccc(NC(=O)/C(=C/c3c[nH]c4ccccc34)NC(=O)c3ccccc3)cc2)cc1 113628033 GLVIDWGAVCTIIZ-MIXAMLLLSA-N 625.732 4.956 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 150480506 KZJSYLIXNBKGNJ-UHFFFAOYSA-N 632.082 4.522 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 222721382 VNBAFRMHVNSQFV-NRFANRHFSA-N 593.371 4.854 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 222821505 ALMDSFUFHXFPAC-NDEPHWFRSA-N 567.708 4.586 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 222867700 PEXFCLTXZKSJRW-QFIPXVFZSA-N 539.673 4.661 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 222916603 LLMJSGJUFYFFHA-FQEVSTJZSA-N 576.090 4.627 0 40 KJAB COc1cccc(CN(C(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 223012417 QJSUVDUSMXCRJD-PMERELPUSA-N 597.753 4.793 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 223029659 HWSUZUHGDNOQGP-NRFANRHFSA-N 572.127 4.876 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 223064091 ZSBYKJHKCKKIAP-SFHVURJKSA-N 610.933 4.990 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223121433 DLSUTGUSNMSLII-HSZRJFAPSA-N 599.725 4.680 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223126255 WOYCUBYFOMBMHU-QHCPKHFHSA-N 638.570 4.768 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 223204463 UNXCIHYSOVWSBT-HHHXNRCGSA-N 600.579 4.608 0 40 KJAB O=C(NCc1ccc2c(c1)OCO2)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1 223367473 WWFVEMRTSZDYEQ-PMERELPUSA-N 508.574 4.881 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C(C)(C)C)cc1Br 223447617 LYLMPOYJOAWDON-OAQYLSRUSA-N 505.453 4.687 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 223474291 SFNHJLOSZZUMKJ-JOCHJYFZSA-N 572.127 4.878 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccccc2)c1 223494510 SHVIQDKPQDZEEG-UHFFFAOYSA-N 502.592 4.790 0 40 KJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223545989 KQQPYVVRSWULIX-FQEVSTJZSA-N 556.556 4.916 0 40 KJAB O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 223569209 ZKFNNMKNDYMCDB-HNNXBMFYSA-N 509.377 4.870 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223748237 VZRUREAQJWHGDO-AREMUKBSSA-N 592.545 4.544 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 223763074 NTXHSKCTJKJFIJ-JOCHJYFZSA-N 572.953 4.592 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 224270962 KPSZPPHGQMCDFH-SANMLTNESA-N 578.081 4.551 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 224328628 LTGWLZBIZNOQLT-IBGZPJMESA-N 568.445 4.722 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 224360376 OKUFFAGHEDJZEJ-VWLOTQADSA-N 534.122 4.607 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Br)cc1 224554682 XJCXXLDBGJOKHX-QHCPKHFHSA-N 503.437 4.703 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 224585449 XBHAXCWXLBQAIE-GDLZYMKVSA-N 623.772 4.774 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224651352 WIWUSRFVLRAVCH-HSZRJFAPSA-N 551.684 4.887 0 40 KJAB CCc1ccc(N(CC(=O)NCc2cccc(CN3CCCCC3)c2)S(=O)(=O)c2ccccc2)cc1 224657621 MHNANORFSNJRLR-UHFFFAOYSA-N 505.684 4.747 0 40 KJAB Cc1cccc(CN(C(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)c1 224728644 QUBDNXVQUYWDKU-NRFANRHFSA-N 549.684 4.686 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 224770996 HADIDCTVWANKBA-SFHVURJKSA-N 584.964 4.735 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 225048756 PKGYXBVGNNPRCV-DEOSSOPVSA-N 578.573 4.780 0 40 KJAB COc1cccc(CN(C(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 225112433 YXSZNPJUTRGXID-PMERELPUSA-N 591.774 4.777 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccc2c(c1)OCCO2 225319969 VARTURKNBILUBE-LJAQVGFWSA-N 640.202 4.966 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 225354102 WUKHGUAPUNHQOM-QHCPKHFHSA-N 571.571 4.557 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 225384892 OGNXUZHIWAUCBG-JWQCQUIFSA-N 565.736 4.839 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 225398298 YDWPVOSVZUKRLE-FCHUYYIVSA-N 602.153 4.885 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)c2ccc(C)cc2)cc1 225485208 HETYUCAVKCKYBV-VWLOTQADSA-N 565.736 4.839 0 40 KJAB Cc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(Cl)cc1 225690914 PTBOPTOEYAAEQI-QHCPKHFHSA-N 556.128 4.828 0 40 KJAB C[C@@H](C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225784135 HPPSDGTZSKJMHH-JTQLQIEISA-N 505.836 4.959 0 40 KJAB Cc1ccc(CN(CC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)S(=O)(=O)c2ccc(Cl)cc2)cc1 226017953 XLTBBHARAKHUKM-HKBQPEDESA-N 618.155 4.992 0 40 KJAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3cc(Cl)ccc3Cl)c2)n1 226063240 XLTZXWSQANESST-UHFFFAOYSA-N 557.459 4.882 0 40 KJAB Cc1ccc(Cl)cc1N(CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O 260740709 MRMIZOPHWFDRLK-LJQANCHMSA-N 542.529 4.790 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)c2ccccc2Cl)cc1 260740980 NELMXAGZNDADDG-HSZRJFAPSA-N 556.128 4.828 0 40 KJAB COc1ccccc1N(CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 260809307 RRDYCSYXELISST-OAQYLSRUSA-N 564.148 4.761 0 40 KJAB CCOc1ccc(N(Cc2ccc(C(=O)N[C@H](C)c3cc(OC)ccc3OC)cc2)S(C)(=O)=O)cc1 260815262 VFEPUHABKSJPPC-LJQANCHMSA-N 512.628 4.560 0 40 KJAB O=C(NCc1ccccc1)[C@H]1CN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c2ccccc2O1 260822957 DCIHSXRGWFCYKK-SSEXGKCCSA-N 648.579 4.793 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 260896262 DHVNDTSGOVQDLF-RPWUZVMVSA-N 553.700 4.704 0 40 KJAB COc1cccc(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 260946124 UBXKFFDUJJLHLM-OAQYLSRUSA-N 608.599 4.870 0 40 KJAB Cc1cccc(CN(C(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 260988882 CJEMEMBDQYIRFV-GDLZYMKVSA-N 621.800 4.867 0 40 KJAB CN(C)S(=O)(=O)N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccccc1F 261007175 RNBHWQPEQHPWBY-GDLZYMKVSA-N 659.622 4.900 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 261021096 WAUWVTKGXCIGCA-BWKNWUBXSA-N 536.138 4.917 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 261037220 YEHYIQORLSHHIU-AVRDEDQJSA-N 572.555 4.799 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 261041043 ZABBOSNODBPODX-OAQYLSRUSA-N 564.148 4.761 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 261052165 MEOAYBZMJLFRMN-MUUNZHRXSA-N 563.764 4.933 0 40 KJAB Cc1c(Cl)cccc1N(CCCC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 261074470 QGQBOMUURIMUDP-LJQANCHMSA-N 540.101 4.666 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 261081733 RJFBXVAKOXTVNY-AMGIVPHBSA-N 586.154 4.669 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 261095822 UZQKHWMNZZTJFM-ZBLYBZFDSA-N 574.118 4.800 0 40 KJAB Cc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccccc3F)cc3cc(Br)ccc32)cc1 408576027 MBGOTJGLIKAUIF-UHFFFAOYSA-N 509.335 4.812 0 40 KJAB CCc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1 408609898 SLAYHNVGMHESJW-UHFFFAOYSA-N 504.930 4.547 0 40 KJAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)ccc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O 408660878 LUPACJJHMZGAED-KBAYOESNSA-N 515.393 4.940 0 40 KJAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@H]4CC=C(C)C[C@H]4C3=O)c2)CC1=O 408669809 SBFAPNSLBQRWKO-IEZKXTBUSA-N 500.595 4.616 0 40 KJAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)CC2)cc1 408694899 JIQOVXDCNKWSRV-FQEVSTJZSA-N 537.707 4.939 0 40 KJAB COCCCNC(=O)c1ccccc1NC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 408711355 LNSVATJUQHTWDY-UHFFFAOYSA-N 564.491 4.978 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC(C)C)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408945699 XVLAUZMNHGOBBY-LMSRTUJASA-N 676.573 4.986 0 40 KJAB Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccc(I)cc2C(C)C)n1C 409059964 SVNHTQYUQOXZBY-UHFFFAOYSA-N 563.465 4.512 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)C1=O)N1CCOCC1 409123004 DHAPMNKCBOJHNM-YBFXNURJSA-N 708.287 4.509 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)C1=O)N1CCOCC1 409137070 UWSUIKZHYVEDLX-YBFXNURJSA-N 708.287 4.509 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Br)c1OCc1ccc(C)cc1 409139003 KZQZFHUAXLOQJR-HYARGMPZSA-N 575.481 4.630 0 40 KJAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)cn(Cc3ccc(Br)cc3)c12 409148056 XCWBHPPYMXSSFK-UCQKPKSFSA-N 568.493 4.910 0 40 KJAB CCCOC(=O)c1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3Cl)n2CC)c1 409354214 ALGNUKMIKNKIJB-INIZCTEOSA-N 530.050 4.740 0 40 KJAB CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(I)cc1C(C)C 409365134 XKJXKTCHUDDYNI-UHFFFAOYSA-N 577.492 4.995 0 40 KJAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 409410240 LRJCCNLARPJLEF-HNNXBMFYSA-N 576.018 4.953 0 40 KJAB Cc1cc(OC[C@@]2(CC(=O)N3CCCCC3)CN(C(=O)COc3ccc(Cl)cc3)CCO2)ccc1Cl 585285710 MERFRCVHJUSINW-HHHXNRCGSA-N 535.468 4.760 0 40 KJAB CCn1cnc2cc(C(=O)N3CCC4(CCCCc5ccccc5OCCCC(=O)NC4)CC3)ccc21 643561861 JSBUKDCOPKANPM-UHFFFAOYSA-N 502.659 4.980 0 40 KJAB COCCn1cnc2cc(C(=O)N3CCC4(CCC=C(C)CCOc5ccccc5C(=O)NC4)CC3)ccc21 2037880140 GUITWQSFXKWYCN-UHFFFAOYSA-N 530.669 4.844 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N(Cc2cccs2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)c(C)c1 923391 ZPYWVMSRMJOIDP-UHFFFAOYSA-N 510.637 4.677 0 40 KJAB COc1ccc(CN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)S(=O)(=O)c2c(C)ccc3nsnc23)cc1 925512 DYIYTJKEINVCKA-UHFFFAOYSA-N 534.663 4.858 0 40 KJAB CCc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc3)C2=O)cc1 950277 SDJRABDIHZGRGD-UHFFFAOYSA-N 515.013 4.647 0 40 KJAB CCOC(=O)c1cc(NC(=O)CSc2nc(C)nc3sc4c(c23)CCCC4)cc(C(=O)OCC)c1 1896177 BXSKMERTALZTTE-UHFFFAOYSA-N 513.641 4.963 0 40 KJAB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 2417538 JAFRYOZMXQRUJI-IARZGTGTSA-N 520.541 4.966 0 40 KJAB CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C(=O)OC)cc3)nnc2-c2ccc(OC)cc2)cc1 2451215 HYNUONXUQNEIQB-UHFFFAOYSA-N 518.595 4.859 0 40 KJAB Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)[nH]c2c1 6282074 XWEKUCAZNGGLNB-VWLOTQADSA-N 537.590 4.869 0 40 KJAB COc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1Br 6297077 RGJPAUGAJHXWRI-UHFFFAOYSA-N 516.808 4.972 0 40 KJAB COc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccc(C)c(C)c2)cc1 8614165 PXEXHYWFPVBSCK-UHFFFAOYSA-N 520.611 4.558 0 40 KJAB CCSc1nnc(NC(=O)CSc2nnc(NC(=O)c3cccc(C(F)(F)F)c3)s2)s1 9369126 VFVHPXFKAPRYMY-UHFFFAOYSA-N 506.582 4.504 0 40 KJAB CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c(NC(=O)Cc3ccccc3)scc12 9381636 QMBUTFLHBHJDDD-UHFFFAOYSA-N 501.486 4.824 0 40 KJAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1)S(C)(=O)=O 10329720 CIDYURGFFRZHNR-OALUTQOASA-N 514.047 4.933 0 40 KJAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 13112616 CNDJQSBABPIZKX-UHFFFAOYSA-N 518.561 4.766 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(C3CCCC3)[C@@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 13501188 KITMOEZNALIDOB-MHZLTWQESA-N 516.646 4.866 0 40 KJAB Cc1cccc(CCCNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 13612563 OENCJYOQOVKOEY-UHFFFAOYSA-N 501.446 4.702 0 40 KJAB COc1cccc(NC(=O)CN2C(=O)C[C@@H](c3cc(OC)c(OC)c(OC)c3)Sc3ccccc32)c1 16960387 UDPVYBLHYAJJDN-DEOSSOPVSA-N 508.596 4.930 0 40 KJAB CC(C)(C)C(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 18068710 DGTSANDCMFBVSA-AZFUDACUSA-N 521.613 4.648 0 40 KJAB Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)N(Cc3cccs3)C[C@@H]3CCCO3)c(=O)[nH]c12 19973125 WTGKMBOEXMTHOO-SQJMNOBHSA-N 504.660 4.770 0 40 KJAB COc1ccc([C@H](CC(C)C)NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1 22428913 VVPBUHJWGNRVFR-VWLOTQADSA-N 526.655 4.811 0 40 KJAB CC(C)NC(=O)c1ccc2c(=O)n(Cc3ccccc3)c3nnc(SCc4ccc(F)cc4)n3c2c1 33256721 XMRDPYGGXIHFBF-UHFFFAOYSA-N 501.587 4.662 0 40 KJAB O=C(CSc1nnc2ccc(C(=O)Nc3cccc(F)c3)cn12)Nc1ccc(Br)cc1 33284415 IMNIDMDKYTVCSS-UHFFFAOYSA-N 500.353 4.614 0 40 KJAB COc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccc(Cl)cc3C)n2C)C(C)C)cc1 33553133 ZSEPTEZBEWQECC-OAQYLSRUSA-N 502.040 4.643 0 40 KJAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccc(Br)cc1 59836950 QLSZRXFIVLKKEG-GOSISDBHSA-N 529.456 4.847 0 40 KJAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4cccc(C)c4C)c3)cc2)n1 60028281 YUOHDBYVZGJCNC-UHFFFAOYSA-N 586.095 4.909 0 40 KJAB Cc1cccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2S(=O)(=O)c2ccc(Cl)cc2)c1 79112544 TZOZNNSYSDBABF-QHCPKHFHSA-N 504.033 4.560 0 40 KJAB O=C(C[C@@H](c1ccnc2ccccc12)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12)N1CCOCC1 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DATLSYWCILADOV-FWZLROMZSA-N 504.664 4.887 0 40 KJAB CC[C@H](Sc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCCc1ccc(OC)c(OC)c1)OCO3)C(=O)Nc1ccc2c(c1)OCO2 150445247 IXXZPYXQHWYOFT-PMERELPUSA-N 676.748 4.520 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 163227601 WPXGOOJMLVSLCZ-ZDGAQAAHSA-N 623.481 4.528 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](CC)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 222418448 GQBSGDTWUYQBEO-MHZLTWQESA-N 565.736 4.921 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 222535636 UWWPUBRXKASPCA-JYFHCDHNSA-N 545.746 4.580 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 222645705 ZHFPZAPWEQXVTP-QHCPKHFHSA-N 611.761 4.630 0 40 KJAB COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(Cl)cc2)C(=O)Cc2ccc(OC)c(OC)c2)cc1 222807945 FVRCTTOCZVCBMA-FQEVSTJZSA-N 525.045 4.685 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 223039267 YBTSTCQDSWHLAT-IBGZPJMESA-N 592.943 4.851 0 40 KJAB CCc1ccc(CC)c(CNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 223049403 VSTJSSLSQGIJEQ-UHFFFAOYSA-N 510.656 4.649 0 40 KJAB C[C@H](C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 223079869 JXPSGQBDMAVLPO-SNVBAGLBSA-N 505.836 4.959 0 40 KJAB COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NCc2cccnc2)cc1OC 223178095 CEVRHVUOWOROES-MUUNZHRXSA-N 541.623 4.737 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223196201 WYILKMCGEZIGSF-SANMLTNESA-N 575.653 4.556 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 223211687 VJUHBLWIMOOBRW-MRXNPFEDSA-N 548.920 4.746 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 223427700 CNSNMPCQSUPYHD-AREMUKBSSA-N 599.725 4.760 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 223473932 IWNILLZAYHLPGX-PDDLMNHVSA-N 563.764 4.951 0 40 KJAB 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224215393 HEVOHJZBTIPDEW-DEOSSOPVSA-N 534.122 4.589 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224261720 PXQJUMCMNZKTDE-NRFANRHFSA-N 618.127 4.635 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224279028 IDGLTEXCBFGGHQ-RUZDIDTESA-N 531.694 4.547 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)C)c2ccccc2)cc1 224627222 VLQZKANFINVDHB-QFIPXVFZSA-N 572.127 4.876 0 40 KJAB COc1cccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224637423 OQWXUNNFNMHQIB-MHZLTWQESA-N 586.154 4.524 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 224751101 WSYZKLHIALSMCG-QHCPKHFHSA-N 539.673 4.581 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 224812252 GYZJVYOHUWVYHM-OAQYLSRUSA-N 534.122 4.752 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 224858453 XKDSIHVVEUIVGY-QFIPXVFZSA-N 572.555 4.656 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)N(C)C)c1 224893272 XVGSGQODTBGRIL-LJAQVGFWSA-N 599.197 4.734 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 224998882 BCKPWDCTNRANOJ-NDEPHWFRSA-N 642.616 4.923 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225031249 JIQUNPZZLDCCHL-SANMLTNESA-N 620.997 4.888 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225081469 FPJXRBVLUIEDKG-MVERNJQCSA-N 570.517 4.799 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 225352197 IUNSGJAWUXWQFW-MUUNZHRXSA-N 570.155 4.971 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 225383524 MIZBIOOHUCOHCL-IBGZPJMESA-N 548.492 4.660 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 225387498 KGXHVRCIYUPOEB-FQEVSTJZSA-N 562.519 4.969 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 225461695 FTZSVOUVQGUNOO-SHQCIBLASA-N 535.710 4.912 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)c1C 225583718 VPXLMNWHVMDWLO-QHCPKHFHSA-N 539.673 4.580 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 225644467 PREFOUOQIOCUPV-LJAQVGFWSA-N 600.181 4.979 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccncc2)c1C 225661355 QLVRNCAXXKRNID-WDYNHAJCSA-N 540.693 4.953 0 40 KJAB CN1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)CC1 257324683 WPRRYYWZQCHDQB-SANMLTNESA-N 588.985 4.802 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 260751045 PKXUVDXTLBQDRG-RUZDIDTESA-N 565.736 4.758 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 260759567 FLJUYVRZPNOKCC-OAQYLSRUSA-N 602.153 4.885 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(SC)cc2)cc1 260761277 SZRONRCARUDGQK-HSZRJFAPSA-N 583.776 4.944 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)c1 260787479 LIZCZKPQZOMMHZ-HSZRJFAPSA-N 527.731 4.751 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)c2cc(C)ccc2C)cc1 260876817 MWOMVSXBAMHQTD-XMMPIXPASA-N 553.700 4.888 0 40 KJAB Cc1ccc(C)c(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 260911768 QNECIFKCERPGEN-JOCHJYFZSA-N 536.138 4.693 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)N[C@@H](C)CC)c2ccc(F)cc2)cc1 260929535 WIRTZFBLRPJPRL-XZOQPEGZSA-N 569.699 4.752 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 260975842 NIGCNXUDLLSVHA-VXKWHMMOSA-N 572.127 4.876 0 40 KJAB Cc1ccc(CN(C(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1 261001343 RUATWKMXZYIPER-OAQYLSRUSA-N 536.138 4.835 0 40 KJAB 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COC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408675204 ANUYUNIFLJREBA-BYVQZYKMSA-N 586.600 4.665 0 40 KJAB CCOc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)c1 408687319 OTEVBGVVCXYQBL-SDUSCBPUSA-N 526.589 4.954 0 40 KJAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(=O)OCC(=O)Nc4ccc(Br)c(Cl)c4C)c3)C(=O)[C@@H]12 408691379 ZPLIZFDNQSCNNZ-NAYASGRBSA-N 557.828 4.908 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCN3c4cccc5cccc(c45)S3(=O)=O)cc2)c(OC)c1 408705234 ZZHGQCFKUNJLCH-UHFFFAOYSA-N 581.672 4.585 0 40 KJAB CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1Cl 408828720 IYXMVHJAPXBBNW-VZIOXZNFSA-N 531.461 4.892 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408843601 GKSZNTFUCRLYTG-VVOOWDFBSA-N 531.461 4.892 0 40 KJAB Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1C 408924378 HTFAPJBAYWEYRL-UHFFFAOYSA-N 549.674 4.938 0 40 KJAB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 408926049 NJBBQBFKOUNQDM-UHFFFAOYSA-N 556.065 4.975 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 408930682 AQPDTZOHLAMHAL-OYKKKHCWSA-N 532.574 4.956 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc5c(c4)OCO5)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 408985541 KYNTWFDERHBFCO-OKMHPQNISA-N 628.703 4.513 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 408991399 NTQLHDXPHLOHJR-KYRGTEIWSA-N 663.546 4.641 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)Nc4cccc(C)c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 409006656 JXYJPIMMYLXRIA-WGJPBTIMSA-N 641.746 4.532 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)cc(Br)c4O)c(=O)n32)cc1 409038459 VMMPTAHLVLEWKZ-WYWXSHKMSA-N 636.362 4.816 0 40 KJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 409118433 ZTCHXHAPERDPJS-GOSISDBHSA-N 530.046 4.711 0 40 KJAB CCc1cccc2c(/C=C3/C(=O)N(c4ccc(Cl)cc4)C(=S)N3C)cn(CC(=O)NCCCOC)c12 409133538 LGTKWHCLEFURRU-HAHDFKILSA-N 525.074 4.614 0 40 KJAB COCCN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3cc(C)c(C)cc3Br)c(OC)c2)C1=O 409193976 JJBFHIPZMKTDHS-CIAFOILYSA-N 549.443 4.775 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1OC 409264151 PIPKCTKWHKPEID-VXLYETTFSA-N 615.829 4.814 0 40 KJAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)cc1Cl 409341706 GGLHSLAVZPYJEU-UHFFFAOYSA-N 513.059 4.978 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc(Br)c1O 409374052 JRBSWUOKDPYNMT-RQZCQDPDSA-N 505.390 4.764 0 40 KJAB CN1CCCCCCCCCCCOc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CC1=O 643578099 FMJRKKXQULBOBF-HKBQPEDESA-N 606.808 4.685 0 40 KJAB COc1cc([C@@H](CC(=O)NCC(=O)Nc2ccc(C(N)=O)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC 1547139739 ZEAPECFDQMYKPQ-RBISFHTESA-N 731.799 4.981 0 40 KJAB biogenic 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CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224942410 NMEPXHFIEZALGZ-QGZVFWFLSA-N 546.492 4.622 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)c2ccccc2)cc1OC 224951532 SDUKZWFPTFKDRN-UHFFFAOYSA-N 509.628 4.528 0 40 KJAB CS(=O)(=O)N(CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc2c(c1)OCCO2 224984695 METFTSBCFYXXHR-PMERELPUSA-N 637.774 4.842 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cn2)cc1C 225262750 TZKZEXLDGUIESB-SVBPBHIXSA-N 512.639 4.646 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 225442259 LCPNILVLHIUCLQ-MUUNZHRXSA-N 570.155 4.971 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 225499305 GYXMQEPAZYFTGP-GDLZYMKVSA-N 576.118 4.921 0 40 KJAB CN(C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)cc1 225533063 GWTIBRQKPYOZKN-VSGBNLITSA-N 510.667 4.940 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 225647880 KWSFMELUBRWARM-NDEPHWFRSA-N 604.144 4.810 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCC2(c3ccccc3)CCOCC2)c2ccc(Cl)cc2)cc1 225707809 ZUNCWAZEGWKXNE-UHFFFAOYSA-N 513.059 4.708 0 40 KJAB C[C@H]1Cc2cc(C(=O)N3C[C@@H](C(=O)NCCc4ccccc4)Oc4ccccc43)ccc2N1S(=O)(=O)c1ccccc1 225850047 FWECEITVYKQLMY-FWUCURJTSA-N 581.694 4.593 0 40 KJAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cnccc3NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3)cc2)C1 244955807 GANHTJMTGHOHBX-NDBXHCKUSA-N 667.854 4.919 0 40 KJAB CCOC(=O)C1=C(C)[C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@@]1(C)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 245232408 VFQJTSHELHPHNH-MWNUKNEWSA-N 656.327 4.652 0 40 KJAB C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=C(C[C@H](O)[C@]12C)[C@]1(C)C[C@H](OC(=O)C[C@](C)(O)CC(=O)O)[C@@H](O)C(C)(C)[C@@H]1CC3 253529985 SWRXIGFQDQTNKP-WNPHISRSSA-N 636.867 4.753 0 40 KJAB endogenous,in-man Cc1ccc(Cc2nn3c(=O)c(=Cc4cn(-c5ccccc5)nc4-c4ccc(OC(C)C)c(C)c4)sc3nc2=O)cc1 254306192 BEVOEDHAIKHACF-UHFFFAOYSA-N 575.694 4.906 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC)S(=O)(=O)c2ccc(C)cc2)cc1 260758578 LITNBLDQNBGFKG-OAQYLSRUSA-N 602.551 4.515 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 260818046 XAKJLJRKHFLDLX-HSZRJFAPSA-N 551.684 4.806 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)c2ccccc2C)cc1 260858665 AUCLIWFIEOCTMS-RUZDIDTESA-N 535.710 4.688 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 260911483 FTJZSDFPFZPAOV-FIPFOOKPSA-N 551.709 4.613 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 260913073 YJBAGYGAKFWPCW-MUUNZHRXSA-N 630.605 4.697 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 260934009 XMTOQUHJHNRUAE-XMMPIXPASA-N 583.726 4.918 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 260953849 KGTIHNFSJYKNEI-DFHRPNOPSA-N 629.751 4.769 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 261010313 UBNRTYVGIUTWOU-GCJKJVERSA-N 542.529 4.524 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 261051273 MBSONDLDKCFYLA-MUUNZHRXSA-N 563.764 4.933 0 40 KJAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 408554680 DGIJZASSTLYTDJ-UHFFFAOYSA-N 509.367 4.842 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCC2 408626464 XGNQLOZPZGTUEZ-UHFFFAOYSA-N 588.704 4.663 0 40 KJAB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)cc1 408653795 PXYQUCJYPNGPHV-YGNCGHNISA-N 515.393 4.828 0 40 KJAB Cc1cc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)c(C)cc1Br 408688339 QPBLRYKCZQEHJF-KDURUIRLSA-N 513.388 4.541 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408832338 SRVWDGSDUCNROA-BIWBSIMWSA-N 589.069 4.729 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5ccc(C(=O)O)cc5)c(OC)c4)c(=O)n32)cc1OCC 408933111 HPGPNENAAIFGQS-MGQZUQOPSA-N 723.598 4.864 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)c(OCC)c(OC)c4)c(=O)n32)cc1 409029570 AUZAOAVHRRHPMR-XXMKCSCWSA-N 615.546 4.755 0 40 KJAB COC(=O)C(=Cc1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)OC 409048134 QJUGCASNTFBFJP-UHFFFAOYSA-N 502.130 4.659 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)Cc2c(F)cccc2Cl)cc1 409063203 IOYJBAXCKAYVKK-UHFFFAOYSA-N 550.483 4.981 0 40 KJAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCC(=O)O)c(Cl)c3)C2=O)cc1 409094819 GHORRCNBTAKLIZ-RQZCQDPDSA-N 525.366 4.531 0 40 KJAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCC(=O)O)c(Br)c3)C2=O)cc1 409095206 AAJZPZYOQIUBJY-RQZCQDPDSA-N 569.817 4.640 0 40 KJAB CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)c2ccccc12 409096791 MASYDNKQPGRVIX-HSUOJCLFSA-N 555.700 4.664 0 40 KJAB CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1Cl 409145052 MOENSKZIZYNZKU-OGRZUZBBSA-N 530.049 4.926 0 40 KJAB CCOc1c(I)cc(I)cc1/C=C1/SC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O 409204248 DYGNPRAVCKTJSC-DEDYPNTBSA-N 703.340 4.680 0 40 KJAB COCCCN1C(=O)S/C(=C/c2cc(OC)c(OCC(=O)Nc3ccc(C)cc3)cc2Br)C1=O 409228461 YZCLTEVVOSFSLI-CIAFOILYSA-N 549.443 4.856 0 40 KJAB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2ccc(Br)c(C)c2)n1C 409343218 DDXQGMKDHLUSOS-UHFFFAOYSA-N 505.438 4.903 0 40 KJAB CC(C)[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc(I)cc2)n1C 409354801 BDHGOHMTRAMVBI-IBGZPJMESA-N 583.883 4.931 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(OCc4cccc(C(=O)O)c4)ccc4ccccc34)C2=O)o1 409400718 QIMCFNYPUMKYQX-UCQKPKSFSA-N 526.501 4.590 0 40 KJAB COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O 524731580 CQHLQMHTJCWFOR-DWXRJYCRSA-N 529.492 4.625 0 40 KJAB biogenic Cc1cc(OC[C@@]2(CC(=O)N3CCC(O)CC3)CCCN(C(=O)C3CCCCC3)C2)cc(C)c1Cl 585287830 SWOFQHAOALDKOG-MUUNZHRXSA-N 505.099 4.898 0 40 KJAB Cc1nc(C)c(CC(=O)N2CCOc3ccc(-c4cccnc4)cc3Cc3cccc(c3)C(=O)N(C)CC2)s1 643567262 AVCOYMXVZMBHBL-UHFFFAOYSA-N 540.689 4.948 0 40 KJAB CC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)Cn3cc(C(F)(F)F)cn3)Cc3ccccc31)N2Cc1nccs1 643578403 VVBJDTGNKGGPEM-PKTZIBPZSA-N 560.646 4.567 0 40 KJAB O=C(COCCOCC(=O)OCC(=O)Oc1c(I)cc(Cl)c2cccnc12)OCC(=O)Oc1c(I)cc(Cl)c2cccnc12 2061000087 GUKXTEIXNDPYBG-UHFFFAOYSA-N 869.186 4.930 0 40 KJAB Cc1cccc(CCN(Cc2cc3cccc(C)c3[nH]c2=O)S(=O)(=O)c2cccc3nsnc23)c1 913687 KWLFQGBPZHOHIZ-UHFFFAOYSA-N 504.637 4.583 0 40 KJAB O=C(Cn1cc(C(=O)c2ccc(Cl)cc2)c(=O)c2cc3c(cc21)OCCO3)Nc1ccc(F)c(F)c1 2688353 DOQZQHVLTXLWOL-UHFFFAOYSA-N 510.880 4.574 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(F)ccc3F)n2-c2ccccc2)c1 3264903 RMJNTEZOUHVMJU-UHFFFAOYSA-N 557.648 4.974 0 40 KJAB CCOc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc(NC(C)=O)cc3)nnc2-c2cccnc2)cc1 3297061 AETCFCJRWYFLIW-KRWDZBQOSA-N 502.600 4.806 0 40 KJAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)cc1 3297507 ZTLIOAJNAKHFPV-UHFFFAOYSA-N 507.564 4.601 0 40 KJAB COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3c3cccnc3)cc2)cc1OC 9391202 YGHWRXJDDHIYQK-RGCCYVKUSA-N 507.612 4.667 0 40 KJAB O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1cccc(C(F)(F)F)c1)N1CCCCC1 11758378 GOEMZOWJQZURLB-UHFFFAOYSA-N 533.601 4.815 0 40 KJAB C[C@@H](c1ccccc1)n1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nc2ccccc2c1=O 12546817 OUOHILYAMGHQNE-FQEVSTJZSA-N 500.624 4.573 0 40 KJAB O=C(CSc1nnc(SCC(=O)NCc2ccccc2Cl)s1)NCc1ccccc1Cl 12577997 KPGWVSMAZCTTOF-UHFFFAOYSA-N 513.497 4.662 0 40 KJAB COc1ccccc1CNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 12601887 ZEYSUZPLVTUJIL-ITHJLQSDSA-N 507.638 4.648 0 40 KJAB biogenic,in-vitro Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2snc(C(=O)NC3CCCCC3)c2N)c1C 12710183 CEOWCFXVGRAOHL-UHFFFAOYSA-N 511.692 4.500 0 40 KJAB CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2ccccc2C)c1 13029514 TYUYDWWUXSCWHH-LJAQVGFWSA-N 509.610 4.776 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)[C@@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 13495686 RJQZXGXMCAZFFN-MHZLTWQESA-N 528.613 4.717 0 40 KJAB COc1c(Cl)cc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1Cl 14276277 QUYJTAZFOZLRBF-UHFFFAOYSA-N 508.349 4.984 0 40 KJAB COC(=O)C(C(=O)OC)[C@H](c1ccc(Br)cc1)[C@@H](C)C(=O)c1ccc(Br)cc1 15318975 JMPJUTCDIXHWBX-PXAZEXFGSA-N 512.194 4.776 0 40 KJAB CCOc1ccc([C@@H](CNC(=O)C[C@H](NC(N)=O)c2cccc(C)c2)c2c[nH]c3ccccc23)cc1OC 32796189 POQUHUDEROFIPQ-BVAGGSTKSA-N 514.626 4.931 0 40 KJAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2cccc(OCC(C)C)c2)CC1 34771161 BQPCSSRWCKSWTK-UHFFFAOYSA-N 503.068 4.560 0 40 KJAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 36370272 YGOKCQWUEUNOHN-MBSDFSHPSA-N 520.518 4.741 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 39986146 BWIAXJWZSWTCRJ-UHFFFAOYSA-N 501.004 4.619 0 40 KJAB CC[C@H](c1nnnn1C1CCCCC1)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O 57641154 CRDFGYUIBRZKLK-RUZDIDTESA-N 530.629 4.911 0 40 KJAB COc1cc(COc2ccc3c(C)c(CC(=O)N4CC[C@@]5(O)CCCC[C@@H]5C4)c(=O)oc3c2C)cc(OC)c1OC 98000355 GKONWEVJMOMYAD-KCEHZKJRSA-N 565.663 4.711 0 40 KJAB biogenic Cc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)N1[C@@H](c3ccccc3)[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3N1[C@H]2c1ccccc1 98043650 MXMUZKZWMUCQNP-AAWHSFAPSA-N 582.660 4.748 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(Cc1ccc(F)cc1)C(=O)CCC(=O)Nc1cc(C)on1 100415747 IUPUWSVIALPIFF-MHZLTWQESA-N 538.620 4.924 0 40 KJAB COc1ccc(Cn2c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs/c2=N\c2ccccc2OC)cc1 101160443 AZOSDXADVIDOEP-ZIADKAODSA-N 551.690 4.535 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 101192609 ALUQRXZIJMNVFW-UHFFFAOYSA-N 550.702 4.755 0 40 KJAB CC(C)C[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 101499824 PDYKNSIXGVNDRH-MTBINSJKSA-N 558.560 4.785 0 40 KJAB COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc(C)c(S(=O)(=O)Nc4ccccc4OC)c3)c2)cc1 102955853 GMBOUEVIWMAISR-UHFFFAOYSA-N 581.672 4.866 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccccc1 103862865 DVKKZJJVZSYRCQ-VEOZPNHKSA-N 603.494 4.623 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3nc(C)c(C)s3)c(=O)cc1[C@@H](NC(C)=O)CC2 108448072 MTRQWRKOFLEZLX-QFIPXVFZSA-N 580.707 4.767 0 40 KJAB biogenic COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3ccccc3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 108450234 CYDOQQAMNQFHQC-OUTSHDOLSA-N 559.663 4.938 0 40 KJAB biogenic CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2ccccc2I)cc1 112229209 DWCXJDSAWZXKSZ-UHFFFAOYSA-N 545.402 4.584 0 40 KJAB O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1cccc(C(F)(F)F)c1)N1CCc2ccccc2C1 150397741 RWJHBHCGTTXNFN-UHFFFAOYSA-N 643.713 4.651 0 40 KJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)ccc2Cl)cc1 215906366 AHIXCNOPKDNLQE-UHFFFAOYSA-N 557.053 4.897 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)ccc2C)c1 216346360 VECBMRKBASAPJH-UHFFFAOYSA-N 550.662 4.861 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 222503122 YMGRBFJIWBXTPJ-FQEVSTJZSA-N 562.519 4.969 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCc1ccc(OC)c(OC)c1 222633807 ACXGEYHDDRHKEJ-XMMPIXPASA-N 539.470 4.785 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 222697435 OBQSIOCIJDFTJQ-NRFANRHFSA-N 548.920 4.599 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 222950668 SXUBXAADDVHWBK-NRFANRHFSA-N 560.091 4.845 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 222959100 DYFYZUNVYJUSON-DEOSSOPVSA-N 551.709 4.533 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(CC)cc1Br 223068488 XATLSHXNSADZKV-OAHLLOKOSA-N 526.269 4.706 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 223166398 DOGFCTMLBNKVGX-JKSUJKDBSA-N 593.371 4.854 0 40 KJAB CCc1ccc(CC)c(CNC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 223222360 LXXFEVVWDQIQID-UHFFFAOYSA-N 501.048 4.985 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 223233453 UVIPZTSCSXGZNT-FCHUYYIVSA-N 580.589 4.944 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 223247952 OETFDJFBTKPAII-DEOSSOPVSA-N 553.700 4.971 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccccc1 223428075 UUUMFMCPBITFME-XMMPIXPASA-N 565.736 4.787 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](CC)C(=O)NC(C)(C)C)S(C)(=O)=O 223512643 ZOPJLHZRWUZJOJ-NRFANRHFSA-N 572.555 4.880 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223519413 SYLMLGVRSVUBNZ-NRFANRHFSA-N 546.492 4.621 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 223573622 QPVDPFIPVVTREK-GDLZYMKVSA-N 565.736 4.923 0 40 KJAB CCOc1ccc(N(CC(=O)NCCOc2cc(C)ccc2C)S(=O)(=O)c2ccc(SC)cc2)cc1 223993819 PHYXLJMSBQLDDE-UHFFFAOYSA-N 528.696 4.815 0 40 KJAB COc1ccc(CN(C(=O)COc2cc(C)c(Br)c(C)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 224066143 YHMFPGJURDTQRX-IBGZPJMESA-N 517.464 4.929 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 224246726 HYQUAHDJCXRLBU-AREMUKBSSA-N 542.101 4.787 0 40 KJAB CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 224305076 YRCHKYUPGHAAHB-UHFFFAOYSA-N 626.584 4.553 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 224424347 QVCXKJLKZBNIAH-HSZRJFAPSA-N 600.565 4.643 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 224717958 LPMKUMMCUKVROR-NRFANRHFSA-N 602.551 4.949 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224785863 GWUSGEXXUZWJBN-NRFANRHFSA-N 592.158 4.524 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1C 224883398 WHOKUOSVAOCRRF-NDEPHWFRSA-N 570.155 4.888 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 225243449 SEHXYTPRAKDKPA-HSZRJFAPSA-N 580.534 4.784 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 225565941 TVJVDHLNFJUZKR-JOCHJYFZSA-N 572.127 4.627 0 40 KJAB Cc1cccc(C)c1N1C(=O)[C@H]2N=NN(CC(=O)N3N=C(c4ccc(Br)cc4)C[C@@H]3c3ccccc3)[C@@H]2C1=O 226726883 MKGINFLQCADYOG-NIYJGHKDSA-N 585.462 4.737 0 40 KJAB CN1CCN(C(=O)CC2(COc3ccc(F)cc3)CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)CC1 257289865 QANCDSVXWVCHSO-UHFFFAOYSA-N 537.607 4.690 0 40 KJAB CC(C)Oc1ccccc1N[C@H]1CC[C@@H](C(=O)N(CC(=O)O)Cc2cccc(C(F)(F)F)c2)CC[C@@H]1O 257319999 VUXWSSQZJZFPBP-NWSQWKLXSA-N 522.564 4.938 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1C 260775767 IADMIDQZLVCZNC-HSZRJFAPSA-N 545.721 4.855 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)Cc2cccc(C)c2)cc1 260822918 CHKTZRHUOAFMFM-JGCGQSQUSA-N 597.737 4.647 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 260877870 HEAZPRAZVRJMIS-JOCHJYFZSA-N 663.578 4.685 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)C)c2ccccc2)cc1 260913202 YPCGAPVSQYJXGM-OAQYLSRUSA-N 602.551 4.595 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 260915893 GCTWOUXPPRNVJC-DQEYMECFSA-N 595.762 4.848 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 261043299 KYCZGQVYMCMOIV-SFTDATJTSA-N 522.111 4.527 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 261067169 OZNQDIDCKCATPX-QCDSWUKFSA-N 579.763 4.651 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 261116533 YOQMMWZEUXJGIW-UXHICEINSA-N 574.541 4.700 0 40 KJAB Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)NCCc2ccccc2)cc1Cl 408572933 APINZJHKYGBMHO-UHFFFAOYSA-N 509.393 4.938 0 40 KJAB Cc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3cccc(C)c3)cc3cc(Br)ccc32)cc1 408574253 GFTNCTFIFZBPJJ-UHFFFAOYSA-N 505.372 4.982 0 40 KJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)ccc2Cl)cc1C 408616309 GCROMKLGFSUZFI-NRFANRHFSA-N 542.057 4.919 0 40 KJAB COc1cc(OC)cc(-c2nc(S/C(=C\c3cc(Cl)cc(Br)c3O)C(=O)O)n[nH]2)c1 408635137 ZFWGMCYECDJZJW-UUASQNMZSA-N 512.769 4.828 0 40 KJAB Cc1cc(NC(=O)COC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)cc(C)c1Br 408648413 XYWGHXQNOLQUNO-UHFFFAOYSA-N 523.232 4.718 0 40 KJAB CC1=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@H]4CC(=O)N(c5cccc(Cl)c5Cl)C4)cc3)C(=O)[C@H]2C1 408656914 HVJFGDWEDCRIFH-SNRMKQJTSA-N 513.377 4.798 0 40 KJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408682084 GBCQHHKLJUHEIW-GKHNXXNSSA-N 543.801 4.518 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)c1 408706139 VXWFMMIHULIDSH-UHFFFAOYSA-N 504.992 4.956 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3sccc3C)c2=O)=N1 409029819 CIMBDLHPLSVWJP-WVWKGNOCSA-N 517.072 4.610 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2[C@@H]1c1cccc2ccccc12 409030534 DTCFHVFEWDQQHV-WLGHQHAYSA-N 533.447 4.714 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(C)c(Br)c4)c(=O)n32)cc1 409033544 FMNYILJOCVWWQN-MGSPXPDISA-N 555.494 4.656 0 40 KJAB O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(I)cc1 409058294 NNCZUBWNRWLQJZ-UHFFFAOYSA-N 558.800 4.913 0 40 KJAB O=C(Cn1cc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)c2ccccc21)NCc1cccs1 409133915 NVCJMXMGOFDKNH-CFRMEGHHSA-N 515.616 4.938 0 40 KJAB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)cc(OC)c3)C2=O)ccc1Cl 409151725 CYPRQJXEIATJJK-KEBDBYFISA-N 518.975 4.599 0 40 KJAB Cc1onc(C(=O)N2CCC3(CCCCc4ccccc4OCCN(CC4CC4)C3)CC2)c1CN(C)C 643589408 XLLKNBXLNFTTLU-UHFFFAOYSA-N 508.707 4.784 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C2(C(=O)Nc3ccc(OC)cc3OC)CCCCC2)cc1 8713594 YULJNBNBBULWST-UHFFFAOYSA-N 557.651 4.828 0 40 KJAB O=C(c1cccs1)[C@@H]1[C@@H](C(=O)c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 9235706 PGKSFOBXHNEJOC-NHICWYPXSA-N 503.583 4.999 0 40 KJAB CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2ccc(OC)cc2)c1 9934182 NQIQFYPZLLVAJH-VWLOTQADSA-N 515.566 4.547 0 40 KJAB COc1ccccc1-n1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2c([nH]c3ccccc32)c1=O 10244227 PCQQWAONJXQBFN-UHFFFAOYSA-N 513.579 4.565 0 40 KJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1NS(=O)(=O)c1ccccc1 10371581 WDVJRRPGRWVRMZ-UHFFFAOYSA-N 521.620 4.849 0 40 KJAB O=C1c2cccc3cccc(c23)C(=O)N1CCCCCc1nnc(Nc2ccc(S(=O)(=O)O)cc2)s1 11852866 DLBCVRDCBFNEAI-UHFFFAOYSA-N 522.608 4.691 0 40 KJAB COc1ccc([C@@H](C)NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 20010808 NPMRDCVHUBCCKB-GOSISDBHSA-N 517.445 4.526 0 40 KJAB COc1c(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc2ccccc2c1Br 20353409 NTLNAXJMPCNJMS-UHFFFAOYSA-N 514.445 4.570 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nccn3C(F)F)n2-c2ccccc2)c1 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589.069 4.759 0 40 KJAB CC[C@H](C(=O)c1ccc(Br)cc1)[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)OC)C(=O)N1CCOCC1 103014122 YWXVLGOBRNGOOM-FDFHNCONSA-N 536.850 4.743 0 40 KJAB COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2N=N[C@@H]3C(=O)N(c4c(C)cccc4C)C(=O)[C@H]32)cc1 103160555 QVDUJTSXJRFCSX-DNCXPJJSSA-N 564.646 4.600 0 40 KJAB CCCCOc1cccc(C(=O)NC(=S)Nc2cc(C(=O)OC)ccc2N2CCN(C(=O)c3ccccc3)CC2)c1 104084955 DVJPRRKFNFHYNN-UHFFFAOYSA-N 574.703 4.741 0 40 KJAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(N4C(=O)[C@H]5CC=CC[C@H]5C4=O)cc3)cc2)cc1 112169738 KWAFEWCKADWCHJ-WMPKNSHKSA-N 523.541 4.710 0 40 KJAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 113515375 AANKXJBMLPGEEO-UHFFFAOYSA-N 591.033 4.655 0 40 KJAB COc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCN([C@H](c3ccc(OC)cc3)c3nnnn3CCc3ccccc3)CC2)cc1 150386034 QSAUYPXHXPHOCQ-TYHGNQNSSA-N 670.822 4.659 0 40 KJAB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc(Cl)c1O 197908278 POHXAGHXDUBDCX-GJFKPFFXSA-N 501.007 4.686 0 40 KJAB CCOC1=NCc2cccc(C(=O)OCc3oc(=O)oc3C)c2N1Cc1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1 201709904 JAULGOGOUNSJFH-UHFFFAOYSA-N 582.569 4.821 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(I)c1OCc1ccccc1F 205853293 FJGIMRKEHRZNFQ-UDWIEESQSA-N 596.418 4.677 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 222756674 COWCKORNFPDDJG-QGZVFWFLSA-N 612.507 4.508 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 223396818 CFEPMWIHXCRNIV-MRXNPFEDSA-N 593.371 4.856 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2C(C)C)c2ccc(Cl)cc2)cc1 223760190 DQWXWZFWEAOSLW-UHFFFAOYSA-N 517.047 4.863 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 223803285 RLBCPGJSSHLISO-SKCUWOTOSA-N 647.611 4.756 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)c2ccc(C)cc2)cc1OC 223803941 AMWAGNHPPSFPHO-VWLOTQADSA-N 607.773 4.992 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 223988281 UGEOAUKHWBWAPG-SFHVURJKSA-N 554.540 4.798 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 224002522 FBGVVXJJYBTMGO-MHZLTWQESA-N 600.579 4.690 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 224168724 FACAPBULYQCVCT-SANMLTNESA-N 556.128 4.661 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 224321680 JCGITEWILSNFIR-SANMLTNESA-N 602.153 4.804 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 224388252 AKMUCUUMJXSECB-MUUNZHRXSA-N 614.606 4.998 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224652555 PTZUSIIOWYQWII-MRXNPFEDSA-N 560.931 4.889 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 224786809 UETVGDGQZQPZQE-QFIPXVFZSA-N 562.947 4.992 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 224979346 USXCVNGZQQRZLS-FGZHOGPDSA-N 586.552 4.976 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)O)cc2)cc1C 225277757 GFFPQEHJUCVYGR-SVBPBHIXSA-N 541.633 4.641 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc(I)cc1 225616280 MHQGPCGNNUWBLS-QHCPKHFHSA-N 562.835 4.710 0 40 KJAB CC(C)c1nc(Cc2ccc(NC(=O)Cc3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)cc2)no1 225979550 RCDULYSVSPIHBV-UHFFFAOYSA-N 504.612 4.790 0 40 KJAB COc1ccc(CN(C)C(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 226023357 MFZZPURIJPTIEP-UHFFFAOYSA-N 525.429 4.991 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)C2CCCCC2)cc1 226064043 IXTUDMNAXLQWOR-PMERELPUSA-N 591.730 4.519 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 260787280 MFKGKRWHPVBYOQ-AREMUKBSSA-N 529.747 4.826 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)c1 260800026 ONLIHSGQZVJXFK-LJQANCHMSA-N 554.540 4.934 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1Cl 260813698 SZCCFPBVNVYVTA-LJQANCHMSA-N 554.540 4.934 0 40 KJAB O=C(NCCc1ccccc1)[C@H]1CN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c2ccccc2O1 260833352 VINJUKQPLZDLQI-SSEXGKCCSA-N 648.579 4.793 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)c1 260852165 DWQCBUULPZLCRJ-JOCHJYFZSA-N 602.153 4.803 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](CC)C(=O)NC)c2ccc(C)cc2)cc1 260864226 ZOFDPUMYFPONEV-HHHXNRCGSA-N 572.127 4.796 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 260918392 GIPLGDNAYTUJIE-OALUTQOASA-N 542.529 4.708 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)c2ccc(Cl)cc2)cc1OC 260921356 UBMNFVXSNDESAX-JOCHJYFZSA-N 602.153 4.742 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 260929332 KGWVFCIDTINWAH-MUUNZHRXSA-N 614.606 4.936 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 261103452 WQXWWBZJRVYEGG-DFHRPNOPSA-N 630.605 4.779 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 261110334 XPILNVXGBGRVDB-PMACEKPBSA-N 530.090 4.591 0 40 KJAB CCOC(=O)Nc1cc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1OCC 408587201 SFNGKHLRBSURBV-UHFFFAOYSA-N 523.655 4.750 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)sc2c1CCC2 408616654 AYBSPLKFWPZVQB-UHFFFAOYSA-N 514.625 4.611 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1 408668403 SRPXHMRUVRHQAU-UHFFFAOYSA-N 508.493 4.953 0 40 KJAB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 408676354 CXZSNBMJEUVBIW-SILFLNITSA-N 608.691 4.898 0 40 KJAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3)CC2)cc1 408677141 ANTGZXKAWDJQOL-UHFFFAOYSA-N 562.113 4.630 0 40 KJAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 408695210 NPQBOVZLJQCKIN-UHFFFAOYSA-N 519.491 4.724 0 40 KJAB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC(C)C)cc4)c(=O)n32)c1 408774878 DIHRQEHYFNFGRV-ASZNLBCTSA-N 539.657 4.670 0 40 KJAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)ccc3O[C@H](C)CC)c2=O)=N1 409038798 FRDBXVPVUZXGFN-HVIOEVLKSA-N 555.494 4.738 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409043536 MWFJLLBNSIXHOC-CWJUKMOQSA-N 637.110 4.662 0 40 KJAB CCc1ccc(N2C(=O)/C(=C/c3cc(I)cc(I)c3OC)N(CC(=O)OC)C2=S)cc1 409062681 YVLMTGAKWYWEOY-ZDLGFXPLSA-N 662.287 4.614 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3O)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409107800 QRYCHLWARCFVDW-JYXZFHPPSA-N 636.568 4.742 0 40 KJAB CCc1cccc(CC)c1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 409182935 OWROLQGKLBSUHG-UHFFFAOYSA-N 500.592 4.802 0 40 KJAB CCOc1cc(Br)c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc1OC 409272574 NEIXKRCDSGLYGU-WSVATBPTSA-N 527.343 4.810 0 40 KJAB CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)Nc1ccc(Br)c(C)c1 409344144 IZDMXEKKGPIPKJ-UHFFFAOYSA-N 505.438 4.996 0 40 KJAB CCc1nccn1CCOc1ccc(CN2CCC(O)(COc3cc(C)ccc3Cl)CC2)cc1OC 585272267 RSWVWFCQSDEEAB-UHFFFAOYSA-N 514.066 4.901 0 40 KJAB Cc1cnn(Cc2ccc(C(=O)N3CCC4(CCCCOC[C@@H]5CCCN5C(=O)c5cccc(c5)OC4)CC3)o2)c1 643562792 QGEAUBOKTVOYMR-SANMLTNESA-N 560.695 4.939 0 40 KJAB COCC12CCCCN(C(=O)COc3cccc(Cl)c3)CCOc3ccccc3C(=O)N(CC1)CC2 643575380 QKOFECVYMLOQTN-UHFFFAOYSA-N 515.050 4.679 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2cccc(NC(=O)c3ccc(Br)o3)c2)c1 990796 DRJSCGVRKDTSQW-UHFFFAOYSA-N 521.389 4.544 0 40 KJAB COc1cc(CN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@@H]3c3cccc(Br)c3)C2=O)cc(OC)c1OC 1323530 VEYAYISOHFAWDZ-FIPFOOKPSA-N 590.474 4.841 0 40 KJAB biogenic O=C(O)c1cccc(CN2C(=O)S/C(=C\c3cc(Br)c(O)c(Br)c3)C2=O)c1 2226960 XSNABTLZEYETQD-AUWJEWJLSA-N 513.163 4.852 0 40 KJAB CCOC(=O)c1c(NC(=O)[C@@H](OC(=O)c2nn(C)c(=O)c3ccccc23)c2ccccc2)sc2c1CC[C@@H](C)C2 2643236 YOMDSPJTNXRLAN-NSYGIPOTSA-N 559.644 4.833 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3c4ccccc4C[C@H]3C)n2CC(C)C)c1 3220153 LBAATKMIWNEISW-HXUWFJFHSA-N 541.743 4.702 0 40 KJAB COc1cc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 3294986 KCDSAMQPZICSPK-QGZVFWFLSA-N 542.510 4.866 0 40 KJAB COc1ccc(C2(CNC[C@H](O)c3ccc(OCc4ccccc4)c(C(N)=O)c3)CCCC2)cc1OC 8739980 GDBNAVHQJKDQGK-VWLOTQADSA-N 504.627 4.517 0 40 KJAB biogenic CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(SC)cc3)CC2)sc2c1CCCC2 8933049 FUTNLDRJGGNHQG-UHFFFAOYSA-N 522.714 4.565 0 40 KJAB CCc1ccc(NC(=O)Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3cc(Br)ccc32)cc1 9287168 YSPKOTLJQTUASH-UHFFFAOYSA-N 512.791 4.769 0 40 KJAB COc1ccc(NC(=O)CSc2nnc(CNC(=O)C34CC5CC(CC(C5)C3)C4)n2-c2ccccc2)cc1 9390860 WCQZGAVCMBZJSG-UHFFFAOYSA-N 531.682 4.839 0 40 KJAB COc1cc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)C(F)(F)F)cc(OC)c1OC 12636094 LBYCQSZPKLZCMR-FQEVSTJZSA-N 514.566 4.855 0 40 KJAB Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccccc4F)CC3)c(=O)[nH]c2c1C 19826489 BKMBKULCDJRDMM-MHZLTWQESA-N 515.637 4.687 0 40 KJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 19856785 ZNOWLBZBHMZSMK-FQEVSTJZSA-N 509.628 4.802 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N[C@H](C)c1ccc(Br)cc1)c1ccccc1 20014153 ODYPLMRXPLAHPD-GOSISDBHSA-N 517.445 4.839 0 40 KJAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1OC 20494473 DTILXORQXUFQFG-GOSISDBHSA-N 503.020 4.738 0 40 KJAB O=C(NCc1cccc(Cl)c1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 27100841 KQGYVLYEPOAZLA-JOCHJYFZSA-N 508.949 4.791 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1OC 38755887 VCNCWHKMZNYWBL-GOSISDBHSA-N 503.020 4.738 0 40 KJAB C[C@H](C(=O)NCc1ccc(CN2CCCC2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 44857343 QTHGLWVFCTWDMM-JOCHJYFZSA-N 507.656 4.546 0 40 KJAB Cc1ccc(CN(c2ccc(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)S(C)(=O)=O)cc1 59928393 WYUIWOLCNUWYDU-UHFFFAOYSA-N 561.626 4.708 0 40 KJAB CC[C@H](C)[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(OC)cc3)N2C1=O)C(=O)O 70705010 LOTHQIOSNMJAEY-VWENNTDVSA-N 580.641 4.889 0 40 KJAB biogenic CCCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1 97946257 VEMOZFZCGWIQSE-YVBHXKDBSA-N 592.714 4.547 0 40 KJAB CCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OCC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1 97946296 SASPQYNUOAEXAZ-VPHSIRQSSA-N 592.714 4.547 0 40 KJAB CCCC[C@@H](NC(=O)Cc1c(C)c2cc3c4c(oc3cc2oc1=O)CCCC4)C(=O)N[C@H](Cc1ccccc1)C(=O)O 97957009 PSSXLCKGFVFAHS-CLJLJLNGSA-N 572.658 4.756 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4F)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1 97961850 OTLBUEFGXDOLTR-PRLWALMFSA-N 537.616 4.550 0 40 KJAB CC(=O)c1ccc(NC(=O)CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CC(C)(C)OC4)cc1 97999623 DNLWDKDUBHOSTP-UHFFFAOYSA-N 563.705 4.861 0 40 KJAB NC(=O)c1nsc(C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1N 100284666 PMURNFHXNYIUQI-QFIPXVFZSA-N 571.556 4.687 0 40 KJAB Cc1ccc(NC(=O)C[S@](=O)CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 100330780 KFCIYLYINKWIAU-LUDUKKHASA-N 560.038 4.691 0 40 KJAB CCCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 102573754 XRWJLJNUWHFRBB-NCNHOSLESA-N 599.728 4.877 0 40 KJAB COc1cc(-c2nc3n(n2)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccn2)=C(C)N3)cc(OC)c1OC 102903847 CFBPUYBMHDACRN-QHCPKHFHSA-N 532.988 4.947 0 40 KJAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 103004681 SJTUKJNPWUMLTN-MHZLTWQESA-N 588.151 4.577 0 40 KJAB O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)c1cc(-c2ccccc2)nn1-c1ccccc1 103010780 DBNJPMDZLFLPMI-UHFFFAOYSA-N 571.703 4.803 0 40 KJAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)O[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 103127692 JCEGFNZRACOEGM-QFIPXVFZSA-N 580.943 4.695 0 40 KJAB CCN(c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1)S(=O)(=O)c1ccccc1 104404821 JFIRLDKQGKBGQD-UHFFFAOYSA-N 536.391 4.524 0 40 KJAB CCOC(=O)C1CCN(C(=O)CSc2nnc(COc3ccccc3F)n2[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 108823577 XKGQIZIIMDQNSS-WAGURGNTSA-N 544.693 4.887 0 40 KJAB COc1ccc(N(CC(=O)NCc2ccc(CN3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 139870052 SKAKLGWTJWTFIQ-UHFFFAOYSA-N 542.101 4.846 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 150395577 SFLYEKCAAMQHBE-LLXISZFLSA-N 650.709 4.999 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)Nc4ccccc4)c(OCC)c3)c(=O)n2[C@H]1c1cc(Cl)c(O)c(OC)c1 150664145 PUGHPYFNKRZEDB-NQMRHMFFSA-N 678.163 4.582 0 40 KJAB COc1ccc([C@@H](CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)N(C)S(=O)(=O)c2ccccc2)cc1 216511290 YVQFIPHQIUVZIO-AREMUKBSSA-N 561.626 4.815 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 222485840 SHKBVCPHFIHDSW-NDEPHWFRSA-N 569.699 4.670 0 40 KJAB COC(=O)c1cn(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 222589264 DPFGWFDGOSQBTK-UHFFFAOYSA-N 512.971 4.626 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 222811486 GDUHBNAJZACKIR-GDLZYMKVSA-N 565.736 4.839 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 222892347 WEUHSALQQJPQCQ-LJQANCHMSA-N 548.492 4.742 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 222912787 SGXJUJBADLZHPR-IBGZPJMESA-N 639.943 4.693 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 223065365 MCBUBVMUTQHHLO-SFHVURJKSA-N 562.054 4.767 0 40 KJAB COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)N(Cc2ccc(Cl)cc2)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC 223080241 BNTKTMGMTWJOEN-UUWRZZSWSA-N 736.287 4.756 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 223135769 GFYZPIUSTWPINC-NRFANRHFSA-N 522.111 4.528 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(=O)(=O)c2ccc(C)cc2)c1 223164860 MPAAVAZNHJTMFS-FQEVSTJZSA-N 508.640 4.574 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223625345 UREHNTCDZQMWPP-XMMPIXPASA-N 566.164 4.925 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 223645107 UISAPCAMPXGIKK-JOCHJYFZSA-N 542.101 4.706 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 223706371 BKIJXMYUEGDWOK-IBGZPJMESA-N 639.943 4.693 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 223871611 JOPUSWYEXMMQHX-JOCHJYFZSA-N 588.554 4.500 0 40 KJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cn2)N1c1ccc(N2CCOCC2)cc1 223947296 UAYFIHZYDLASHQ-CLJLJLNGSA-N 517.058 4.934 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 223995869 MVYVHFJJAVBWMI-HHHXNRCGSA-N 569.699 4.753 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 224015591 XAOQDHRRXWUYSD-SSEXGKCCSA-N 557.716 4.627 0 40 KJAB S=C(NCC1(c2ccc(Cl)cc2)CCOCC1)Nc1ncc(Br)nc1Br 224017332 XFYMKHVDTWEIQI-UHFFFAOYSA-N 520.678 4.690 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)c2ccccc2)cc1 224068067 VOYIAZMJVKIZIG-QFIPXVFZSA-N 569.699 4.752 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)c1 224151774 ZAOATAGAEOJRCR-VWLOTQADSA-N 595.762 4.705 0 40 KJAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCSCc3ccc(Cl)c(Cl)c3)s2)cc1 224202673 BBOUACQFRBMYMG-UHFFFAOYSA-N 517.485 4.617 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 224432749 QAKNBNXUUJSQML-VWLOTQADSA-N 582.550 4.828 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1OCC)S(C)(=O)=O 224608674 PVWOYQBTJMZAEN-PMERELPUSA-N 609.789 4.806 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1cccc(C)c1)[C@@H](CC)C(=O)NCC(C)C)S(C)(=O)=O 224626640 KJJSFZLAWWGLQO-VWLOTQADSA-N 545.746 4.520 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 224904363 FGJIIOMRHFRPHZ-NDEPHWFRSA-N 598.165 4.814 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1C 225020038 QHJPHDIDWAEFLP-NDEPHWFRSA-N 614.606 4.997 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 225030892 NEBCDVNZIRQZCJ-SANMLTNESA-N 527.731 4.798 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCCC2)c2ccccc2)cc1OC 225163680 LONWWQFHSQJIEQ-QHCPKHFHSA-N 611.736 4.904 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 225198776 CWCULOVOKRZSRC-DEOSSOPVSA-N 538.085 4.501 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cn2)cc1C 225262782 TZKZEXLDGUIESB-SXOMAYOGSA-N 512.639 4.646 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225280457 NNQVSVZEFPBPGB-MUUNZHRXSA-N 593.746 4.518 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 225485235 ATPFCFYLZMPGIC-LJAQVGFWSA-N 567.727 4.783 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225514316 YMODRIJXDPITED-AREMUKBSSA-N 576.546 4.926 0 40 KJAB Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2c(C)[nH]c(C)c2I)cc1 225564939 VRTGYFKIDRESBH-GOTSBHOMSA-N 559.477 4.941 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225570375 KNTHFFFYEIXVDB-UFHPHHKVSA-N 595.762 4.930 0 40 KJAB COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c1C 225628589 PQZMBEDAUTULLD-SVBPBHIXSA-N 505.688 4.764 0 40 KJAB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccccn2)c1 225636225 ZQVHSWPPXQJFOE-WUFINQPMSA-N 510.667 4.945 0 40 KJAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)CN(c4ccc(OC)cc4)S(=O)(=O)c4ccc(OC)c(OC)c4)cc32)cc1 226012384 NUSAEDQCQGPMAJ-UHFFFAOYSA-N 631.707 4.758 0 40 KJAB O=C(NS(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1ccccc1OCc1cccc(Cl)c1 257293964 QRWOUNFVKOVYMB-UHFFFAOYSA-N 543.041 4.780 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 260885018 DTVXLHHBSAQEAQ-WJOKGBTCSA-N 590.790 4.697 0 40 KJAB Cc1cccc(CN(C(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1 261013037 URPVZOSJTSDTIF-HXUWFJFHSA-N 522.111 4.527 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 261048564 LOAZKVAEFFRIPS-YADHBBJMSA-N 586.552 4.976 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408615582 QWSBOXZOUBPEST-UHFFFAOYSA-N 579.078 4.816 0 40 KJAB CC1=CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@H]4CC(=O)N(c5cccc(Cl)c5Cl)C4)c3)C(=O)[C@@H]2C1 408660857 LQPIUVPIERQIDC-ZYSHUDEJSA-N 513.377 4.798 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 408679782 LJHPKVHFLFFUCL-UHFFFAOYSA-N 563.701 4.821 0 40 KJAB O=C(C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 408680875 SGJCUIWRMRBNTR-UHFFFAOYSA-N 570.130 4.955 0 40 KJAB C[C@@H](C(=O)Nc1ccc(I)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409026207 IZUZTHVFOVKBTP-INIZCTEOSA-N 536.391 4.877 0 40 KJAB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Cl)c1OC(C)C 409029770 BFNWERZFGRHSLS-WLGHQHAYSA-N 541.069 4.638 0 40 KJAB COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12 409126110 LGTFHFJGBNTRCX-UKWGHVSLSA-N 532.847 4.678 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)ccc1Oc1nc(Cl)ncc1F 409206173 VUEQPXVFJSZPKN-UWONZBIMSA-N 509.943 4.838 0 40 KJAB CCOc1c(I)cc(I)cc1/C=C1/SC(=O)N(CC(=O)O[C@@H](C)CC)C1=O 409206549 WXHAAHLZRDFLDK-UQDQQJHMSA-N 615.227 4.673 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)OC 409271133 JIFZNMUXJMAFJG-GRSHGNNSSA-N 524.378 4.863 0 40 KJAB CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)Nc1ccc(Br)cc1C 409354604 AAZDATNWRBZXEE-UHFFFAOYSA-N 505.438 4.996 0 40 KJAB CCOc1cccc2c1OCCCCCN(C(=O)CCc1ccnn1C)CCN(Cc1ccccc1)C2 643550756 HUKCCTPSRFXHIY-UHFFFAOYSA-N 504.675 4.845 0 40 KJAB 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554.668 4.565 0 40 KJAB CCOC(=O)c1sc(N[C@@H](NC(=O)c2ccc(OC)cc2)C(Cl)(Cl)Cl)c(C(=O)OC)c1C 3212795 ATTRMYIEYOUCPS-LJQANCHMSA-N 523.822 4.567 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)CNC(=O)c1cccs1)c1ccc(OC)cc1 6462230 HEXNHLAMQJEGIV-VWLOTQADSA-N 523.655 4.574 0 40 KJAB O=C(CSc1nnc(CCCN2C(=O)c3cccc4cccc(c34)C2=O)n1-c1ccccc1)N1CCCCC1 8431430 XAUUAMRKPGLLND-UHFFFAOYSA-N 539.661 4.754 0 40 KJAB CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc(OCC(=O)N3CCCCC3)cc2)N1c1ccc(N2CCOCC2)cc1 8442797 BAOUKJPGLTWXEV-MGBGTMOVSA-N 567.690 4.842 0 40 KJAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(N(C(=O)c2cnccn2)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1 8686601 YHUAWXUSGRCZHH-ZBLYBZFDSA-N 581.764 4.938 0 40 KJAB CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2ccc(OC)cc2)cc1 9933977 WLTMRRYMWMXESC-RUZDIDTESA-N 505.546 4.989 0 40 KJAB CCOc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)cc1OC 13030716 CMJXDONFDCRSKJ-GDLZYMKVSA-N 529.641 4.775 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2F)c2cccc(C)c2C)cc1 13648734 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CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223859394 YTKZQCKHHGWZAW-FQEVSTJZSA-N 592.545 4.892 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)[C@@H](C)C(=O)NC2CCCC2)c1 224030005 DJSIXKGVDNJDTK-QFIPXVFZSA-N 627.735 4.523 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 224049610 FMWQTLZENPPZRE-DEOSSOPVSA-N 563.720 4.675 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224140631 JKCZEBNPIQBKFB-HXUWFJFHSA-N 662.578 4.887 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 224149637 GEDLZJGUGVPYFI-SSEXGKCCSA-N 579.763 4.716 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 224356408 SJNHCTNBQWENQY-AREMUKBSSA-N 539.673 4.581 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 224401799 LZJZZYFMUQQKAT-AREMUKBSSA-N 618.569 4.909 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 224600106 DZRUNBICPDCTAQ-HHHXNRCGSA-N 565.736 4.779 0 40 KJAB Cc1ccc(CN(C(=O)CCc2ccc3c(c2)OCCO3)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224843972 SLQQQVQVFAOYKS-HHHXNRCGSA-N 500.639 4.864 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 224953906 BQMSOFZXGZNGFB-LJAQVGFWSA-N 583.726 4.545 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 225188284 MMABESGOWLZUPN-FCHUYYIVSA-N 602.153 4.885 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)OC)c3)o2)cc1 225231995 UIAGEARDIJCZPG-KAYWLYCHSA-N 542.617 4.890 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 225259193 VFHCDEZGFRNTBR-HZPDHXFCSA-N 548.920 4.745 0 40 KJAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 225425907 IEDXLBQEDHALGN-NDEPHWFRSA-N 549.737 4.875 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225474621 KBLVFWDJDCWTGD-YIXXDRMTSA-N 581.735 4.621 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 225485927 KIBOFCGSJXFKLU-PMERELPUSA-N 597.753 4.937 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 225505595 ZUEBPLMDADCANE-FDDCHVKYSA-N 542.529 4.790 0 40 KJAB Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2c(C)[nH]c(C)c2I)c1 225641992 NEHGUFVMOSQXGN-XZOQPEGZSA-N 559.477 4.941 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 225724965 XCKGIVYDGIGDMS-LJAQVGFWSA-N 565.736 4.839 0 40 KJAB CN(c1ccc(CC(=O)Nc2ccc(I)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 225987284 UFVHIRMRJGSLSE-UHFFFAOYSA-N 540.810 4.951 0 40 KJAB Nc1nc(OCc2ccccc2)c2ncn([C@@H]3C[C@H](OCc4ccccc4)[C@H](COCc4ccccc4)[C@H]3O)c2n1 256830475 SYPCZZWUNIHLBU-QPXUEMTLSA-N 551.647 4.712 0 40 KJAB CCCc1nc(N2CCC(Cc3ccccc3)CC2)ncc1C(=O)NS(=O)(=O)c1cccc(Cl)c1 257293231 QOQDXFPOYMKINN-UHFFFAOYSA-N 513.063 4.660 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)c1 260771623 WQJJYEMUXVJRGZ-RUZDIDTESA-N 565.736 4.758 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 260817913 WPRWNUBBCNHZRB-XMMPIXPASA-N 565.736 4.839 0 40 KJAB CN(c1ccc(CC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1)S(=O)(=O)c1ccc(Cl)cc1 260828381 OTQQEVYAPKTZRK-SSEXGKCCSA-N 604.128 4.861 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 260888031 FCLPBPAYIHGWRE-WJOKGBTCSA-N 621.800 4.867 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 261003359 FSBRRNKBDQRZBA-OAQYLSRUSA-N 557.663 4.801 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 261006371 FWYUXOGNYZBADA-HSZRJFAPSA-N 553.700 4.970 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 261007739 GHAPPMSBIXOEQE-YZNIXAGQSA-N 563.764 4.933 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 261043641 ZORRHTHGBKYFAZ-GDLZYMKVSA-N 598.165 4.814 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 261044560 ZCYLEOJMQKQTFJ-BVAGGSTKSA-N 515.720 4.572 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)Cc2ccccc2)cc1C 408551334 KFLRXPUKLPEEMI-UHFFFAOYSA-N 503.418 4.596 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c2ccc(Oc3ccccc3)cc2)cc1 408575229 HQHMGDBJIFVRQY-UHFFFAOYSA-N 556.644 4.812 0 40 KJAB CC[C@@H](C)NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)cc2C)cc2cc(Cl)ccc21 408580065 PUZXYRUAWICFIG-CYBMUJFWSA-N 505.800 4.603 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)S(=O)(=O)c1ccc(C)cc1 408616118 WBZHEKYCCXMRFM-UHFFFAOYSA-N 528.652 4.565 0 40 KJAB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccccc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]12 408642195 DSJJOWBTWMPPHW-BRBPODBZSA-N 557.002 4.997 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1 408653823 PZGQNMXJXAXGTK-SZPZYZBQSA-N 534.952 4.568 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1 408661562 XIYQGLAEYHMVPB-MFRYECHYSA-N 503.769 4.694 0 40 KJAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCSCc3ccc(Cl)cc3Cl)CC2)c1 408694119 BXEICEVBGXIJMN-UHFFFAOYSA-N 515.528 4.893 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)C)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1Cl 408826063 SOMSUHWHLFGSTO-GJFKPFFXSA-N 541.069 4.638 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408826357 LIBNWFIZEZKXMO-MRWVFDTMSA-N 642.730 4.871 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408862840 IDPSPUVSWKSBFN-UQDCTOEPSA-N 649.121 4.746 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc(Br)c1OC 408880776 HGCPBNGQKGLJSD-YVLHZVERSA-N 509.353 4.671 0 40 KJAB C[C@@H](NC(=O)[C@@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OC(C)(C)C)c1ccccc1 408997819 IXNKZWHTYKWCCP-FZKQIMNGSA-N 636.268 4.915 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OC(C)C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409097104 HKYZGSZROPJGGA-SUAMDDGLSA-N 584.138 4.561 0 40 KJAB CCCOC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccc(C)cc3)C(C)C)n2C)c1 409151430 BILURZCOWQEWEJ-QHCPKHFHSA-N 523.659 4.548 0 40 KJAB COc1ccc(Cl)cc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccc(C)cc2)C(C)C)n1C 409152945 LOKBGBJMNRIREE-OAQYLSRUSA-N 502.040 4.643 0 40 KJAB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)cc(OC)c3)C2=O)ccc1Cl 409158245 KSPHPMCMHRINMZ-SRZZPIQSSA-N 533.002 4.989 0 40 KJAB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCC)cc3OCC)C2=O)ccc1Cl 409160943 YJZZPQCGJTWAOB-SRZZPIQSSA-N 533.002 4.989 0 40 KJAB O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)NCc1ccccc1 409197780 OSWPXOFBPWXPRT-UHFFFAOYSA-N 507.837 4.610 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc(F)cc2)C1=O)Nc1ccc2c(c1)OCCO2 409199562 PBTLKJDGQPRAAG-CFRMEGHHSA-N 520.538 4.851 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)ccc3OCc3ccccc3F)C2=O)o1 409399443 ITXGZXGQLXSLJS-ODLFYWEKSA-N 529.318 4.640 0 40 KJAB COc1ccc([C@@H](CC(=O)Nc2ccc3nc(C(C)C)[nH]c3c2)c2c(O)cc(C)oc2=O)c(OC)c1OC 524729213 JYJSMLHJENINMW-GOSISDBHSA-N 521.570 4.840 0 40 KJAB biogenic O=C1CN(Cc2ccccc2)Cc2c(cccc2C(=O)NCc2cc(F)cc(F)c2)OCCCCCN1 643572714 GLYJZMXMIYWXRA-UHFFFAOYSA-N 507.581 4.576 0 40 KJAB CC(C)[C@H]1NC(=O)C[C@@H](C(=O)N[C@H](C)COc2ccccc2Oc2ccc(Cl)cc2)NC(=O)c2ccccc2OC[C@@H]2CCCN2C1=O 643578428 VRHBQSRHOXCAJG-JJQXDFEPSA-N 677.198 4.729 0 40 KJAB CCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3cccc([C@H]4OCC(C)(C)[C@H](C(C)C)O4)c3)ccc21 1080148 HAGXBWLRTMMNHR-ZEQRLZLVSA-N 501.649 4.740 0 40 KJAB CC(=O)c1cccc(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)c1 1096379 YSNPFHJTQYYXQA-UHFFFAOYSA-N 515.429 4.790 0 40 KJAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 1477084 AKXGNTAEDHJUGQ-UHFFFAOYSA-N 529.593 4.672 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccccc1 1845205 VCDXSGHHMPFQFU-ZHGFHMGHSA-N 576.678 4.660 0 40 KJAB CCOC(=O)C(=CNc1ccc(-n2nc(Br)c(Br)c2Br)cc1)C(=O)OCC 2150630 MHKRXOHASAVOJD-UHFFFAOYSA-N 566.044 4.582 0 40 KJAB COc1cc2c(cc1NC(=O)COC(=O)[C@H]1CS[C@]3(c4ccc(F)cc4)CCC(=O)N13)oc1ccccc12 3433883 VWKCYHWDKLZUEA-PIKZIKFNSA-N 534.565 4.806 0 40 KJAB COC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)OCc1ccccc1 5575067 KQGBXQVGWHWPME-LOYHVIPDSA-N 625.747 4.540 0 40 KJAB CCOC(=O)c1c(NC(=O)CCSc2nnc3cc(C)c4ccccc4n23)sc(C(=O)OC)c1C 8431665 PBFUENPZXDOAOB-UHFFFAOYSA-N 512.613 4.645 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(COc4cccc(Cl)c4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 8455047 SCLACTUWCMNBMI-NQDYMZAQSA-N 585.465 4.896 0 40 KJAB COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(C(=O)COc3ccc(Cl)cc3)n2)cc1 9847039 QFLKTTXSZIYMFS-UHFFFAOYSA-N 507.978 4.892 0 40 KJAB CCOCCCn1c(-c2cc(OC)ccc2OC)cs/c1=N\c1c(C)n(C)n(-c2ccccc2)c1=O 12620173 ZXFKQOYJWBVIEV-DQSJHHFOSA-N 508.644 4.691 0 40 KJAB COc1c(Cl)cc(C(=O)NC(=S)Nc2cccc(-c3nn4c(C)nnc4s3)c2C)cc1Cl 14273920 AFNQLFHPMBNASP-UHFFFAOYSA-N 507.428 4.912 0 40 KJAB C[C@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)[C@@H]1C 15912932 SVNLYOMQMYIGSK-GSHUGGBRSA-N 506.521 4.821 0 40 KJAB COC(=O)c1ccc(C)c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c1 20060846 HYEFFZUOXYANDH-UHFFFAOYSA-N 517.003 4.586 0 40 KJAB COc1ccc(C(=O)NC(=S)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1Br 20411882 DTHKWRHTMHXKAI-UHFFFAOYSA-N 508.419 4.759 0 40 KJAB COCc1nn2c(C)c(C(=O)Nc3cc(Cl)ccc3OC)nnc2c1-c1ccc(Br)cc1 40372521 XKKXWOUCLMGNAM-UHFFFAOYSA-N 516.783 4.923 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(Cn3c(=S)[nH]c4ccc(N5CCOCC5)cc4c3=O)cc2)CC1 59515162 UIQPZZDHOYBHGR-UHFFFAOYSA-N 590.149 4.868 0 40 KJAB CC(C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccccc1Cl 70700701 AXOGBZIZMIBXOZ-UNCTUWKVSA-N 541.051 4.748 0 40 KJAB biogenic CCOc1ccc(CN(C(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 98047878 NPKZPZCHBGPSSI-HXUWFJFHSA-N 550.077 4.790 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C(=O)NC3CCCC3)c3ccc(C)cc3)n2)cc1 100288672 PISSYJFZPBUMEM-PMERELPUSA-N 566.662 4.515 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cccn2-c2cccc(C(=O)O)c2)C1=O)Nc1ccc(Br)cc1 100322376 CPIDKGYOLYAKPY-XDHOZWIPSA-N 526.368 4.613 0 40 KJAB COc1cccc([C@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)c1OC 100363183 MJPFAMQBNZPRHX-SSEXGKCCSA-N 549.631 4.535 0 40 KJAB COc1cccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)c1OC 100367149 ZFBMNWLZVUTGBW-MHZLTWQESA-N 533.604 4.524 0 40 KJAB CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)n2CCOC 100873238 YUVKETCJCINJFN-RQZHXJHFSA-N 525.652 4.598 0 40 KJAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](CC(C)C)N[C@@]21c2ccccc2-n2c1nc1ccccc1c2=O 101507730 UCVGRVLDZOLRQX-JXXDWEOVSA-N 539.035 4.728 0 40 KJAB CCOC(=O)c1c(N/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)c3ccccc32)sc(C)c1C 102994848 OOGBIBBEPWCVPB-UDWIEESQSA-N 504.564 4.906 0 40 KJAB COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)c3ccccc3n2)cc1 103013642 UFDUBEQHPASSFK-UHFFFAOYSA-N 538.025 4.837 0 40 KJAB COc1cc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C(F)(F)F)c2)cc(OC)c1OC 150388170 HLKQEPUMQOBUES-XMMPIXPASA-N 643.644 4.573 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 163260664 RJEAYWKOIULKFS-QEYQTOMISA-N 652.510 4.557 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 222743169 NDGKKBHERNHMBU-HSZRJFAPSA-N 542.529 4.872 0 40 KJAB CCOc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@@H](CC)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 222905726 XVRGWVDAOSVWPJ-MHZLTWQESA-N 565.736 4.655 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 222913253 VVHGNCRMULXDRB-IBGZPJMESA-N 578.518 4.751 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 223054595 ULBFGEWWPIFYLC-RUZDIDTESA-N 535.710 4.832 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 223092248 NRGLSKVWEOHUNB-DNQXCXABSA-N 553.700 4.970 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 223203375 GSVRSSBQWAPEEN-XMMPIXPASA-N 546.064 4.536 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223207997 BGCVTHVLEVXCAD-RUZDIDTESA-N 529.747 4.781 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 223217332 BPMOJHRZYVNTGD-DEOSSOPVSA-N 566.482 4.881 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 223278908 KQXLQPDBNDXYPB-JOCHJYFZSA-N 542.529 4.710 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCCO2 223403755 WFTVHRFRIPPTIH-RUZDIDTESA-N 507.030 4.820 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 223469152 SAERZNKJOXTUJA-GIGWZHCTSA-N 539.676 4.926 0 40 KJAB 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4.819 0 40 KJAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1 9669023 FVSQWXJFTWHASU-UHFFFAOYSA-N 516.667 4.955 0 40 KJAB CS(=O)(=O)c1ncc(N(Cc2ccc(F)cc2)Cc2ccco2)c(C(=O)Nc2ccccc2Cl)n1 12062472 OOJFNSBPTHSICS-UHFFFAOYSA-N 514.966 4.725 0 40 KJAB Cc1ccc2nsnc2c1S(=O)(=O)N(CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 12717077 UCPDNZPGKJORJT-UHFFFAOYSA-N 518.664 4.892 0 40 KJAB COc1ccc(OC)c([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2c(C)cccc2C)c1 13029095 HDQANSCIEKAZIT-MUUNZHRXSA-N 529.641 4.755 0 40 KJAB COc1ccc2cc(CN(Cc3ccc(F)cc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 13498760 SGBCLXDPZGVQCI-SANMLTNESA-N 516.577 4.703 0 40 KJAB CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccccc2I)CC1 20412494 OBQLSHAIGSMDPW-UHFFFAOYSA-N 511.791 4.502 0 40 KJAB COc1ccc(Nc2nc([C@H](C)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc3ccccc23)cc1 22052448 VPCTUXDIQIXQFZ-IBGZPJMESA-N 521.618 4.589 0 40 KJAB CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc1OC 27095345 XYKCYJTUGNKFTH-XQNWCSQWSA-N 512.606 4.865 0 40 KJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)ccc2C)c1 59852729 ACIDNJBRMXBFIZ-UHFFFAOYSA-N 536.635 4.552 0 40 KJAB COc1ccc(C)cc1N(CC(=O)Nc1ccc(I)cc1)S(=O)(=O)c1ccc(C)cc1 59953198 GOJLNLYJGJSFCW-UHFFFAOYSA-N 550.418 4.751 0 40 KJAB CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(Cc3ccccc3OC)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 70697197 SVVAMSAIYJNAJN-HEIROHQZSA-N 539.632 4.816 0 40 KJAB biogenic C[C@H](NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 85867983 XGCYPRYKAOGFEQ-VFRQKDATSA-N 818.921 4.809 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCCOc3cccc(OC)c3)c(=O)n2[C@H]1c1ccccc1 97965014 PWFORYSYWOYTPK-NNAGEYCMSA-N 605.112 4.918 0 40 KJAB Cc1ccc(N2C(=O)/C(=C/Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)c3ccccc3C2=O)cc1C 97980535 QXQQQAXJXLSPNP-SGWCAAJKSA-N 586.714 4.565 0 40 KJAB CCOC(=O)c1sc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c(C(=O)OCC)c1C 97993288 WKTZFHNYZFKFBG-UHFFFAOYSA-N 557.090 4.880 0 40 KJAB COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccc(C)cc2)cc1OC 100353032 WDJWPZBSKZSLSL-HKBQPEDESA-N 557.695 4.732 0 40 KJAB CCCNC(=O)CSc1nnc(SCC(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)s1 103061764 UDXUCWYJCUFBFE-UHFFFAOYSA-N 536.726 4.792 0 40 KJAB CC1(C)C[C@@H](NC(=O)N2CCN(c3ccccc3)CC2)C[C@@](C)(CNC(=O)N2CCN(c3ccccc3)CC2)C1 103767828 DFOPGGAZMWMGDN-HVIPQOSHSA-N 546.760 4.635 0 40 KJAB CCOc1cc(CNCCCSc2nnnn2C)cc(Br)c1OCc1ccccc1Cl 105346945 MTLYCLXGWZUELO-UHFFFAOYSA-N 526.888 4.876 0 40 KJAB COC(=O)CC1CCN(C(=O)CCCCCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)CC1 108447406 QKSYTVWDHVFKBT-MHZLTWQESA-N 637.774 4.637 0 40 KJAB biogenic CCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)cc1 139107285 KHQJNGRRPOFOKA-QGZVFWFLSA-N 565.848 4.903 0 40 KJAB O=c1/c(=C\c2ccc(O)c(Br)c2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 139632250 GKJLYNQSQWAOPL-AQIZGWBQSA-N 533.422 4.926 0 40 KJAB COc1ccc(C(=O)COC(=O)c2cccnc2SCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 215714119 ASWLQRHQWQSQCX-UHFFFAOYSA-N 520.485 4.759 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 222420691 AVIOTDNPNLQOBF-SANMLTNESA-N 551.709 4.531 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 222522440 GAFLGKNXHFKVAO-HTAPYJJXSA-N 592.080 4.856 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 222550168 BVXFHJIEUYWQBQ-HXUWFJFHSA-N 562.519 4.969 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 222672217 GDDLXWNNDJETFD-HSZRJFAPSA-N 542.529 4.708 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 222730696 CWTQTMJKOJGNHM-MHZLTWQESA-N 665.569 4.609 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222816644 JSFKCIIEPYMZMA-XMMPIXPASA-N 600.927 4.938 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 223193221 XDHKSYLZAZKXRR-IFMALSPDSA-N 580.589 4.944 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223312087 SGMFQQOIPOSJQF-JOCHJYFZSA-N 542.529 4.610 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc4ccccc4c3)Oc3cc(C)ccc32)cc1 223624608 UFBBNDQJKZRCDP-NDEPHWFRSA-N 516.619 4.608 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 223694969 WZIJTPKHALJVFM-RUZDIDTESA-N 536.138 4.918 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 223894392 CDCWEFRVBUKRFI-NRFANRHFSA-N 632.577 4.605 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 224105373 RICCUSCMZYXNFF-PMERELPUSA-N 579.763 4.716 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 224186934 GDORSZUQTPFHAK-NDEPHWFRSA-N 551.709 4.533 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 224302448 NMQVXKFYXKWDRN-AREMUKBSSA-N 604.542 4.521 0 40 KJAB COc1cccc(N(CCCC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 224453597 PXAOXKQWEZEEJP-LJAQVGFWSA-N 597.753 4.935 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224621710 CVJYOBDJFVROJE-QHCPKHFHSA-N 554.540 4.668 0 40 KJAB CCOc1ccc(N(CC(=O)NCc2cccc(CN3CCCCC3)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 224657922 ZGIDZPUWYJQHQW-UHFFFAOYSA-N 581.735 4.600 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 224710110 DDZUSTAQMPQJPL-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 224727430 AEPRTAHJTGCNDD-NRFANRHFSA-N 560.091 4.926 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 224851906 SBFRKBVKPWISKS-FQEVSTJZSA-N 579.616 4.983 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 224981308 XDHJTZNTYWTHDC-XMMPIXPASA-N 565.736 4.957 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c1ccccc1 225059072 BPKXVRBILSCGKK-DQEYMECFSA-N 565.736 4.921 0 40 KJAB CCn1c(=O)sc2cc(NC(=O)[C@H](C)N(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)ccc21 225087097 ZGILNBUWFFBIAB-KRWDZBQOSA-N 511.625 4.668 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 225151732 VJMGLQICBWTWFS-FGZHOGPDSA-N 662.205 4.902 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc(OCC)cc1)S(C)(=O)=O 225164588 FNWKSVLKEFMDSS-OAQYLSRUSA-N 552.137 4.619 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 225257518 CEADUTBBJJYDNI-NDEPHWFRSA-N 569.699 4.753 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 225271881 ZEEDAVMIHRONLG-QHCPKHFHSA-N 525.646 4.601 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 225340081 ZZIIVIIMGUXQNP-RUZDIDTESA-N 568.111 4.510 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 225497707 PZSLDMPWOCGREZ-PWUYWRBVSA-N 565.736 4.921 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 225508686 RYDRFSAKHLGOOC-HKBQPEDESA-N 585.726 4.585 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 225538520 QBMMOWUBLNZDSV-FDDCHVKYSA-N 542.529 4.790 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 225574969 AMFBWDFKFKVZCZ-WJOKGBTCSA-N 585.726 4.585 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2nccs2)c1C 225661504 ZCNWWMJLBAZLFP-LOSJGSFVSA-N 532.695 4.956 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)c2ccc(C)cc2)cc1OC 225683606 MZPUOQUGGFGAIZ-QHCPKHFHSA-N 599.725 4.536 0 40 KJAB CC(C)CSc1nnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)s1 225776067 NUPUSOCSLRMCKN-CYBMUJFWSA-N 523.533 4.774 0 40 KJAB CCOC(=O)C1(c2ccc(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)cc2)CC1 226004957 YFLAOOBRNJDOLD-UHFFFAOYSA-N 571.493 4.873 0 40 KJAB O=C(C[C@]1(COc2ccc(Cl)cc2)CCCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1)N1CCOCC1 257291058 QFLAGCRZWQVCQC-RUZDIDTESA-N 540.966 4.789 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)cc1 260704426 AMLVBUWKRQBIDN-JOCHJYFZSA-N 572.127 4.794 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c1 260817934 WRWLRPLKAHZLFL-RUZDIDTESA-N 577.747 4.983 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)N[C@H](C)CC)c2ccccc2)cc1 260902319 OSFVDOWCGLWANT-DNQXCXABSA-N 551.709 4.613 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)cc1OC 260904354 BLVYKQKEAFQDLP-HHHXNRCGSA-N 616.180 4.536 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 260959619 KVTRFQUAECZIHW-DHLKQENFSA-N 550.165 4.959 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 260982528 LIDJOAXLEMBTER-SSEXGKCCSA-N 561.748 4.768 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 260983232 BHBPZBITIPGCLG-RTWAWAEBSA-N 618.127 4.778 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 260984922 OSLZBRSIEZFIRX-PMACEKPBSA-N 571.571 4.555 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c1ccccc1 260995618 QRMNLRCTTWJXMY-PKTZIBPZSA-N 553.700 4.915 0 40 KJAB CCC1=C(C)[C@H](Cc2[nH]c(/C=C3/N=C(C[C@H]4NC(=O)C(C)=C4CC)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O 299888706 UNKYOXKQMHLGPW-QWKYUNFYSA-N 590.721 4.700 0 40 KJAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)Nc1ccc(Br)cc1 408563326 VHLVNDRLEOWHCB-UHFFFAOYSA-N 501.402 4.526 0 40 KJAB Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCc3cccs3)CC2=O)cc1 408582865 YDUCWBZJABEMNL-QGZVFWFLSA-N 542.455 4.506 0 40 KJAB COc1ccc(N(CC(=O)NC(c2ccccc2)c2ccccc2)S(=O)(=O)c2ccccc2)c(OC)c1 408614964 KEMMAVYEHXZUEG-UHFFFAOYSA-N 516.619 4.805 0 40 KJAB CCn1c2ccccc2c2cc(NC(=O)CN(Cc3ccc(Br)cc3)S(C)(=O)=O)ccc21 408620739 LHSWRLSUZJAPDE-UHFFFAOYSA-N 514.445 4.977 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cc3F)C2)cc1Cl 408636202 YFELFKJVQOSSLD-ZDUSSCGKSA-N 519.820 4.680 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1 408645791 IIKXVILEPYBBET-FGZHOGPDSA-N 549.004 4.812 0 40 KJAB CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)sc2c1CCCC2 408680284 QOVOHGRAUSEIEO-UHFFFAOYSA-N 543.082 4.777 0 40 KJAB CCCC[C@H](C(=O)OCC(=O)Nc1cc(OC)ccc1OC)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408682806 GZESAXJVQBIAMU-KKVPSYNPSA-N 582.653 4.637 0 40 KJAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 408711175 CNTSYLIHYIPPNA-UHFFFAOYSA-N 547.964 4.783 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OC)ccc4ccccc34)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408768117 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CC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)CCc3c(C)nn(C)c3C)Cc3ccccc31)N2Cc1nccs1 643577939 IUEWMOVNLSACQB-FTJBHMTQSA-N 548.757 4.635 0 40 KJAB COc1cc([C@@H](CC(=O)NCCS(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC 1547138763 RHTVPOZNVVTTOL-NOQOKTLNSA-N 835.973 4.854 0 40 KJAB biogenic CCC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1335590 GHFSRYZPGNPQNF-MHZLTWQESA-N 594.672 4.801 0 40 KJAB CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3cc4c(cc32)OCCO4)cc1 2688331 DNOROGIZWKETGX-UHFFFAOYSA-N 518.953 4.695 0 40 KJAB CCc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NCc4cccs4)C(=O)N23)cc1 2967460 FJKUZNXAGBRGAF-HSZRJFAPSA-N 545.690 4.738 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)cc1 6074511 IFHYNZHJCZHRKI-AREMUKBSSA-N 565.049 4.826 0 40 KJAB COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C(=S)Nc2ccccc2OC)cc1 6136583 UULSFSRXHDRVMP-UHFFFAOYSA-N 517.607 4.716 0 40 KJAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1 6878704 VINYTCROKOYFSH-UHFFFAOYSA-N 519.073 4.993 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\[C@@H]3C=CC(OCc4ccccc4)=C(Br)C3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 8444602 JXGOBIMOWARABQ-OHQMMPHZSA-N 635.536 4.878 0 40 KJAB COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCc2ccc(OC)c(OC)c2)ccc1O 8917093 CZXIZBIBMYCKCE-SANMLTNESA-N 501.535 4.621 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1 10446536 LSPQBSQJYOFWHP-UHFFFAOYSA-N 517.003 4.668 0 40 KJAB COc1ccc(OC)c(-c2ncc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)s2)c1 12140119 WFXDWGUVNINUKV-MRXNPFEDSA-N 501.630 4.643 0 40 KJAB CC(C)CNS(=O)(=O)c1cccc2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)cccc12 16575298 FPNAHWKWMUGAON-MHZLTWQESA-N 529.662 4.754 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2F)c2ccccc2)cc1 19855822 SZBUGGAZPBCIJM-UHFFFAOYSA-N 507.381 4.821 0 40 KJAB C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 19931019 LBXAYQAOARNEBK-AOMKIAJQSA-N 521.864 4.870 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(OC(C)C)cc2)c2cc(C)cc(C)c2)cc1OC 20491460 HSDFGGMOHRQYMR-UHFFFAOYSA-N 526.655 4.620 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)CCc2ccccc2)cc1Cl 22248250 UPJVSOXTDMORPN-NBGIEHNGSA-N 515.075 4.766 0 40 KJAB COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@]32C(=O)Nc3ccc(Br)cc32)cc1 35983011 CPHDFGCXAABXCD-PXDATVDWSA-N 506.356 4.815 0 40 KJAB CCOc1ccccc1N(CC(=O)NCc1ccc(CN2CCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 44857273 SUWYPMVYSPFPAY-UHFFFAOYSA-N 521.683 4.501 0 40 KJAB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 59837690 VZDOTZYWNGBNFP-UHFFFAOYSA-N 610.585 4.675 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c2ccc(C)c(C)c2)cc1 60028225 GUHXIGICFMUUDJ-UHFFFAOYSA-N 564.689 4.642 0 40 KJAB O=C(OCC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1)[C@H]1CC(=O)N(CCc2ccccc2)C1 97980015 LWGNPPRVVJLIOB-MMNNQRLMSA-N 541.604 4.630 0 40 KJAB COc1ccc(OC)c(-n2c(CNC(=O)COc3ccc(Cl)cc3)nnc2SCC(=O)N2CCCc3ccccc32)c1 97985236 VTJVKPWOGCFUER-UHFFFAOYSA-N 608.120 4.705 0 40 KJAB Cc1cccc(N2CCN(C(=O)CCc3nnc4n(Cc5ccc(Cl)cc5)c(=O)c5ccccc5n34)CC2)c1C 97993291 KEPQFUJOEKYPGD-UHFFFAOYSA-N 555.082 4.644 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)c(F)c2)c(OC)c1 100365574 CEAGCQAZCNEBMQ-LJAQVGFWSA-N 545.615 4.729 0 40 KJAB CCOc1ccc([C@@H](C(=O)NCCC(C)C)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1OC 100366683 MSUDUDFVFBNLFZ-NDEPHWFRSA-N 549.697 4.833 0 40 KJAB COc1cccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2cc(C)on2)c2ccc(F)cc2)c1OC 100416584 DUBMJLKPJBPXLB-VWLOTQADSA-N 540.592 4.547 0 40 KJAB COc1cc2oc(=O)c(CC(=O)NC[C@H]3CC[C@H](C(=O)N[C@H](CSCc4ccccc4)C(=O)O)CC3)c(C)c2cc1Cl 101374112 WYTCOIHWOFTECU-FZOAFFARSA-N 615.148 4.731 0 40 KJAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)Oc1ccc(N(C)S(=O)(=O)c4cc(C)ccc4C)cc1)(C3)C2 102435803 QOPSXOOSPNXCMG-SUZCJKPRSA-N 510.656 4.509 0 40 KJAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 103054676 DNLPPTMKZXETSS-HKUYNNGSSA-N 536.606 4.524 0 40 KJAB CN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(C(C)(C)C)cc1)CC2)[C@@H]1CCS(=O)(=O)C1 103079676 MRTNIRUUKBEXOQ-FLVWFLKISA-N 546.689 4.821 0 40 KJAB CCOc1ccc(C[C@@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)COC(=O)c2cnccn2)cc1OCC 103112640 YMGYJFBJOYVUGK-RUZDIDTESA-N 563.651 4.597 0 40 KJAB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1O 147675590 GFFIGPHEPSMFMD-AQIZGWBQSA-N 610.448 4.777 0 40 KJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCNC(=O)c3cccc(S(=O)(=O)Nc4ccc(C)cc4C)c3)c2)c(C)c1 150480509 QILOFXBGOJRVQH-UHFFFAOYSA-N 634.780 4.682 0 40 KJAB Cc1cccc(COc2c(Cl)cc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)cc2Cl)c1 214655890 QHIPDFOTZCFSDO-UDWIEESQSA-N 521.422 4.776 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 222515607 FAIFVKMPFHMMNH-PWHYTNLZSA-N 572.171 4.737 0 40 KJAB 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CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 223871746 GOLOYCYJCCOENA-JOCHJYFZSA-N 588.554 4.500 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 224356600 QQHIWRMJSFGQGI-SANMLTNESA-N 539.673 4.581 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 224392609 BKYQBRJWSJCHLP-HHHXNRCGSA-N 545.721 4.855 0 40 KJAB Cc1ccc(CN(c2ccc(C(=O)NCc3cccc(CN4CCCCC4)c3)cc2)S(C)(=O)=O)cc1 224658960 GFCVCTMQPYRCND-UHFFFAOYSA-N 505.684 4.877 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 224686574 PYJAFUZOHJDPND-QHCPKHFHSA-N 586.980 4.757 0 40 KJAB COc1cc(N(Cc2ccc(C(=O)NCCOc3ccccc3Cl)cc2)S(C)(=O)=O)c(OC)cc1Cl 224918228 HZEDOFFOUWMHFI-UHFFFAOYSA-N 553.464 4.786 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 224945843 UDXMGYBQNZHXKX-MUUNZHRXSA-N 595.762 4.521 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 225029534 VYZIMLDZXMDHRZ-JWQCQUIFSA-N 565.736 4.839 0 40 KJAB CCn1c(=O)sc2cc(NC(=O)[C@@H]3CN(S(=O)(=O)c4ccc(C)cc4)c4cc(Cl)ccc4O3)ccc21 225110007 OZFKSSUPWIUJGZ-QFIPXVFZSA-N 544.054 4.640 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 225195661 ONARGHZQXQQWRR-LJQANCHMSA-N 554.485 4.692 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 225291183 WEUCPQYQKFAAAT-NRFANRHFSA-N 548.920 4.746 0 40 KJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)cc1NC(C)=O 225330203 KNAMMNRQABATLN-CLJLJLNGSA-N 572.599 4.882 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 225561752 OTVQNTVCPQZDCH-SHQCIBLASA-N 565.736 4.921 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1 225713149 BMQISSSOYJYKJD-QFIPXVFZSA-N 616.578 4.843 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2nc(-c3ccc(I)cc3)no2)CC1 225839766 LFIFNWHPJWYVKA-UHFFFAOYSA-N 536.801 4.584 0 40 KJAB CCc1ccc2nc(O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N(Cc3cccs3)C[C@H]3CCCO3)cc2c1 253499093 OLBYGFDYXHKGMV-TVZXLZGTSA-N 534.686 4.500 0 40 KJAB CN1CCN(C(=O)CC2(COc3ccc(Cl)cc3)CCN(C(=O)Cc3ccc4ccccc4c3)CC2)CC1 257228962 FVZXUOYYGXSUJX-UHFFFAOYSA-N 534.100 4.888 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 260757901 SHOAPAXSBFMERF-JOCHJYFZSA-N 602.153 4.885 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c(C)c1 260881675 OJTQFWPRKHYTRR-GDLZYMKVSA-N 549.737 4.543 0 40 KJAB CC[C@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)c2ccccc2O1)c1ccc2c(c1)CCCC2 260932752 MWLDARVKSTXSOR-LBNVMWSVSA-N 520.651 4.798 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 260986020 OYDQCYBAAYIYOY-DQEYMECFSA-N 595.762 4.582 0 40 KJAB 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CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2-c2nc3ccccc3s2)C1 100818105 ZHUMGZZBKUVOOV-UHFFFAOYSA-N 568.746 4.676 0 40 KJAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 103059843 PMXRVTTYDWYOSF-BBATYDOGSA-N 525.813 4.659 0 40 KJAB O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1-c1ccccc1)Nc1ccc(F)cc1F 103086066 BCNDUMIUGGJJAE-UHFFFAOYSA-N 555.632 4.728 0 40 KJAB COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 103160517 YYGYPPYTNUGLGR-NBZVVWIMSA-N 572.625 4.828 0 40 KJAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2ccc(OC)c(Br)c2)CC1 104085028 XTZOFQIIZSQJCK-UHFFFAOYSA-N 553.910 4.687 0 40 KJAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N32)cc1 104201733 DPIILNZNFWKIJH-ZKGSSEMHSA-N 529.390 4.730 0 40 KJAB COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)cc1Cl 113619453 QQAHVTNXDTULGM-UHFFFAOYSA-N 586.519 4.988 0 40 KJAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccccc3)cc2)n1 139702038 HGUXKVIIXZKDHR-UHFFFAOYSA-N 600.122 4.690 0 40 KJAB Cc1cn([C@@H]2C[C@@H](OC(=O)[C@@H](Cc3ccccc3)NC(=O)OCc3ccccc3)[C@H](COC(=O)[C@@H](Cc3ccccc3)NC(=O)OCc3ccccc3)O2)c(=O)[nH]c1=O 150371023 IBIMLNZMSGAPFL-LQAWKYJRSA-N 804.853 4.663 0 40 KJAB COc1cc(/C=C2/N=C(SCC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)N(c3ccccc3)C2=O)cc(OC)c1OC 215754486 UHGDMXFYYWZJKH-OVVQPSECSA-N 614.724 4.741 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 222482363 WXPCENJKMHATBN-HHHXNRCGSA-N 581.735 4.540 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 222688385 QAFBPNUIRNNGNB-HXUWFJFHSA-N 562.519 4.969 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 222696849 TZEMUTRVBINLMU-GOSISDBHSA-N 566.482 4.800 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 222786819 BADMUCJINRUJQQ-FQEVSTJZSA-N 576.090 4.848 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 223025047 IJRPJWKXFUEWAW-AREMUKBSSA-N 586.552 4.815 0 40 KJAB C[C@@H](C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 223079814 JXPSGQBDMAVLPO-JTQLQIEISA-N 505.836 4.959 0 40 KJAB CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223081921 VZMFQTXCDMXTMM-HKBQPEDESA-N 642.218 4.686 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 223562376 HJRJXWHTNCQEAZ-RUZDIDTESA-N 606.970 4.645 0 40 KJAB COc1ccc(N(CC(=O)NCCOc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 223608692 JLGXGQHITFFFFH-UHFFFAOYSA-N 523.438 4.701 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 223814260 BQAYJWIUVSNEDU-MHZLTWQESA-N 557.663 4.884 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 223913933 CFJPEHBIJPGZAF-IBGZPJMESA-N 554.540 4.852 0 40 KJAB Cc1[nH]c(C)c([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1I 224002320 RFEKGTYJKAGEQM-UXHICEINSA-N 518.380 4.537 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)COc1ccc(Cl)cc1Br 224100705 YVMWGRYKSPFTKJ-QGZVFWFLSA-N 507.856 5.000 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(C)(=O)=O 224298895 FTEXZBZMQGWYQE-AREMUKBSSA-N 556.128 4.661 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)c1cccc(Cl)c1Cl 224382557 LQINEASIAFLXLW-UHFFFAOYSA-N 640.611 4.943 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 224460010 DNRCMWISWKYWRN-QFIPXVFZSA-N 602.153 4.742 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224534333 XZSYEUADOIEURD-MUUNZHRXSA-N 581.710 4.896 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 224726536 GROCTRJEKOWZAF-QHCPKHFHSA-N 569.699 4.672 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 224728134 DLRVDGQGLRNLIU-DEOSSOPVSA-N 557.757 4.806 0 40 KJAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)O)cc2)c1 224849038 UMXWRHBQASYQRQ-RPBOFIJWSA-N 500.580 4.765 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 224852719 QHVIPJQOMMMHAU-NRFANRHFSA-N 560.091 4.926 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 224906840 NXQHCCRJCASFSL-VWLOTQADSA-N 566.164 4.783 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 225027719 PSAIBWJZWIUEEY-QZTJIDSGSA-N 562.054 4.765 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 225174954 OLPMYXXVURZRPF-HSZRJFAPSA-N 539.673 4.663 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 225234604 FRKIRQDAYARATF-PMERELPUSA-N 577.747 4.550 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 225327109 IAQDIVIKCUYWMV-HZPDHXFCSA-N 640.371 4.696 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 225397313 KSUZKPYOKZAGIQ-ILBGXUMGSA-N 565.736 4.839 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 225702903 TYDKBFVWOIRITM-AREMUKBSSA-N 572.127 4.876 0 40 KJAB C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=C(C[C@H](O)[C@]12C)[C@]1(C)C[C@H](OC(=O)C[C@](C)(O)CC(=O)O)[C@H](O)C(C)(C)[C@@H]1CC3 253529984 SWRXIGFQDQTNKP-JNRQITLQSA-N 636.867 4.753 0 40 KJAB endogenous,in-man COc1ccc(S(=O)(=O)NC(=O)c2cnc(N(C)CCc3ccccc3)nc2Cc2cccc(Cl)c2)cc1 257235245 GXANEYZNFWKAFV-UHFFFAOYSA-N 551.068 4.527 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c1 260936820 MQGNBFYDLWKMNJ-MUUNZHRXSA-N 630.605 4.636 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c1ccccc1 260995622 QRMNLRCTTWJXMY-XZOQPEGZSA-N 553.700 4.915 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 261041662 YRYLUARZYRHREU-MOPGFXCFSA-N 542.529 4.708 0 40 KJAB COc1ccc(OC)c(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2cc(C)ccc2OC)c1 408592274 KXZXFGAAIVDVJV-UHFFFAOYSA-N 538.544 4.874 0 40 KJAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408597474 WVIVXDMQVVTOIU-JOCHJYFZSA-N 531.600 4.608 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)c(OCC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 408725311 GYXNYDFSFSYHTB-NBQDTTAVSA-N 614.720 4.793 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)OC)c4C)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408826288 BVRWEQUIKMQRHL-XQNWCSQWSA-N 586.666 4.552 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408846504 KDPBWTQMQCKFSP-GTWFGUSFSA-N 504.652 4.709 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c2=O)=N1 408863470 OOIYTGPXTPQLGK-RFZPLYKNSA-N 666.594 4.932 0 40 KJAB O=C(O)c1cc(N2C(=O)[C@@H]3C4c5ccccc5C(Br)(c5ccccc54)[C@H]3C2=O)ccc1Cl 408918531 LQAZCIZEOMXYDR-IYZJKTGWSA-N 508.755 4.941 0 40 KJAB O=C1NC(=O)/C(=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)N1 408918553 LULJRWNVNATGKR-VGOFMYFVSA-N 530.998 4.733 0 40 KJAB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc(Cl)c1OC 408928281 ZBPRLUBOLXDRRE-LWUPDDLQSA-N 564.038 4.684 0 40 KJAB Cc1ccc2nc(NC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(I)cc3)sc2c1 408990490 NHKBQSVLKUNLQT-HXUWFJFHSA-N 577.469 4.738 0 40 KJAB C[C@@H](NC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OC(C)(C)C)c1ccccc1 408997818 IXNKZWHTYKWCCP-ACJLOTCBSA-N 636.268 4.915 0 40 KJAB CCCOc1ccccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n21 409020054 YUYVVXXRWWATLF-MGSPXPDISA-N 561.487 4.520 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4ccc(F)cc4)cc3)c2=O)=N1 409035482 JXZAOEAIXHYCRP-CMISJSSVSA-N 528.605 4.516 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4cccc(C)c4)c(OC)c3)c2=O)=N1 409039829 SHAOJIYZLRJDHS-HDFSHUSISA-N 554.668 4.694 0 40 KJAB O=C(Nc1ccc(I)cc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 409054877 WDANLVHVKCHCFK-UHFFFAOYSA-N 539.222 4.637 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409095904 BQYQSSSGHGLXLY-PRWBYUBPSA-N 733.797 4.672 0 40 KJAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)C1=O 409103364 WECIDCZTRFEWGJ-NNLQFVHNSA-N 571.364 4.616 0 40 KJAB O=C(Cn1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21)NC[C@@H]1CCCO1 409139090 MGJWDTOEDGTUSF-BIFQTZPZSA-N 510.015 4.826 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409159282 VSTRFZYZCBATKH-ZRXICNQRSA-N 672.203 4.989 0 40 KJAB CCCOC(=O)c1cccc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccc(Cl)cc3)C(C)C)n2C)c1 409356159 FQRQPPFLNSSINH-JOCHJYFZSA-N 544.077 4.893 0 40 KJAB COc1ccccc1CC(=O)N1CCCC[C@@H]2CN(c3ncc(C(=O)O)c(CCC4CCCCC4)n3)C[C@@H]21 585266185 VPFFHRWSXWBBLD-BVAGGSTKSA-N 520.674 4.756 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cc(F)cc(F)c3)CCO2)C1=O 643555614 CHSPLTFIZOPWHU-NDEPHWFRSA-N 500.586 4.610 0 40 KJAB Cc1ccc(N2C[C@@H](C(=O)N3CCC4(CCCCCc5ccccc5OCCNC4=O)CC3)CC2=O)cc1Cl 643559344 HMWHGUPJVXETDI-DEOSSOPVSA-N 552.115 4.922 0 40 KJAB CCOc1ccccc1C(=O)NCCN1CCC2(CCCCc3ccccc3OC[C@H]3CCCN3C2=O)CC1 643565134 TWUZWUHLYLJNTI-AREMUKBSSA-N 533.713 4.694 0 40 KJAB CCCn1ccc(C(=O)N2CCN(CC(C)C)CCCN(C(=O)Cc3ccccc3)c3ccccc3C2)n1 643567177 VHXKVUGEVOEEOA-UHFFFAOYSA-N 515.702 4.873 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(I)c1OC(C)C 661544 LNKZTICXVPXQRY-VCHYOVAHSA-N 524.330 4.709 0 40 KJAB COc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccc(OC)c(OC)c2)C[C@@H]3C(F)(F)F)cc1OC 675278 RMFCVLSGSOGMRB-IIBYNOLFSA-N 506.481 4.830 0 40 KJAB O=C(CSc1nnc(CNc2ccc(F)cc2)n1C[C@H]1CCCO1)Nc1ccc(Br)cc1 877791 YVBQAHLECDVSAV-LJQANCHMSA-N 520.428 4.702 0 40 KJAB CCCc1cc(=O)n2c(C(=O)Nc3ccc(OC)cc3OC)c(C(=O)Nc3cccc(C)c3C)sc2n1 1320819 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CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c(NC(=O)c3cc(Cl)ccc3OC)scc12 9381503 KTUNTOVJGWLDSO-UHFFFAOYSA-N 501.923 4.677 0 40 KJAB COc1cccc(OCc2nnc(SCC(=O)Nc3ccc(OC)cc3OC)n2Cc2ccccc2)c1 12701511 UKTDAKZKUPXHLW-UHFFFAOYSA-N 520.611 4.662 0 40 KJAB CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 13499644 BQSHPHHXTYJSJC-UPVQGACJSA-N 506.676 4.916 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)c(C)c2)c2ccc(C)cc2)cc1 20060854 YGFDMBXGGZSKIJ-UHFFFAOYSA-N 503.418 4.909 0 40 KJAB COc1ccc(NC(=O)CSC2=NS(=O)(=O)c3ccccc3N2Cc2ccccc2)cc1Cl 21117595 QNOYNZCXEVKELR-UHFFFAOYSA-N 502.017 4.785 0 40 KJAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCN([C@H](CNS(=O)(=O)c3ccc(C)cc3)c3ccccc3)CC2)cc1 33353086 ZVRAXCMAEROXPS-KKLWWLSJSA-N 632.852 4.660 0 40 KJAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 44901054 GQLLSIPTKMBLDG-UHFFFAOYSA-N 509.031 4.730 0 40 KJAB COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)S(=O)(=O)c2ccccc2)c1 59884010 DZHOLXDNLJPBAZ-UHFFFAOYSA-N 595.699 4.647 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1N1CCCC1=O 60060508 BNUVCNCWRDCIIA-UHFFFAOYSA-N 570.476 4.730 0 40 KJAB Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2CCN(C(=O)c3cccc(F)c3)CC2)cc1 64789814 AGTPPUOKDLXHTO-UHFFFAOYSA-N 511.600 4.646 0 40 KJAB COc1ccc(N2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)N(Cc3ccc(OC)c(OC)c3)C2=S)cc1 97952092 RPYYRFQPZPWYEE-QFIPXVFZSA-N 540.041 4.897 0 40 KJAB C[C@H](OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Cl)cn1 97979557 RVHLJAHCWQWMGP-HCWHUNCVSA-N 530.968 4.943 0 40 KJAB CCN(CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccc(OC)c(OC)c1 98047174 XJQVMFYXYJSLEO-HSZRJFAPSA-N 529.431 4.850 0 40 KJAB O=C(COC(=O)c1cc(C(=O)OCC(=O)c2ccccc2)cc(C(=O)OCC(=O)c2ccccc2)c1)c1ccccc1 98048833 IUEBEYBNCHLBDQ-UHFFFAOYSA-N 564.546 4.806 0 40 KJAB O=C(COc1ccc(N2C[C@H](C(=O)NCCc3ccccc3)CC2=O)cc1)Nc1ccc(Cl)c(Cl)c1 100140533 HVLMLWUVDFXHFD-LJQANCHMSA-N 526.420 4.723 0 40 KJAB CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2cc(OC)cc(OC)c2)cc1 100353566 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586.154 4.918 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC)S(=O)(=O)c2ccc(Br)cc2)cc1 225455113 LTSMMHIGJFMUPT-IBGZPJMESA-N 667.420 4.969 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 225499151 DUNKUFQZHIULOQ-GDLZYMKVSA-N 576.118 4.921 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)C)c2ccc(F)cc2)cc1 225546016 AYVFDLSBPOAQTR-FQEVSTJZSA-N 576.090 4.625 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 225550055 PHFUUHOTHAUQMQ-HHHXNRCGSA-N 618.569 4.911 0 40 KJAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)n1-c1cccnc1 225587843 GIGLAOLWCXBPKA-FTJBHMTQSA-N 500.603 4.716 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c2ccc(Cl)cc2)cc1 225688969 VHLOESWJMBCTBX-QFIPXVFZSA-N 572.127 4.528 0 40 KJAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)c1 225799509 FFIIHCSUUCZQRP-UHFFFAOYSA-N 503.001 4.661 0 40 KJAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)CN(Cc4ccc(F)cc4)S(=O)(=O)c4ccccc4)cc32)cc1 226026876 GYYSTLPCFIWNOB-UHFFFAOYSA-N 573.646 4.867 0 40 KJAB COc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N(Cc3cccs3)C[C@H]3CCCO3)c(O)nc2cc1OC 253499024 KRICCSYMPCZFJD-KOSHJBKYSA-N 538.674 4.531 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC)S(C)(=O)=O 260765869 SMCVYCQTXUJGNT-HHHXNRCGSA-N 586.154 4.671 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)cc1 260809483 RVOZNBWYXROEAI-OAQYLSRUSA-N 534.122 4.589 0 40 KJAB CC(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NCc1ccccc1CN1CCCC1)O2 260899796 PXXOZPZHCNWWKF-GDLZYMKVSA-N 547.721 4.853 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 260917429 GJWDKYMFWOECEK-MUUNZHRXSA-N 614.606 4.936 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 260970901 MLGLJRCCIRUICQ-MOPGFXCFSA-N 572.555 4.880 0 40 KJAB 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COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)cc3)C(=O)O)n[nH]2)c1 408630818 BIATZVRVMQQILM-KSEXSDGBSA-N 533.562 4.984 0 40 KJAB CCCc1nnc(SCC(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)Nc2ccccc2)n1CC 408637675 MUKIOOOBUOBIEN-UHFFFAOYSA-N 515.661 4.780 0 40 KJAB O=C(CN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCC(=O)c1ccc(Cl)cc1 408657659 NHZQKTGZGJVCLX-SIQOOTDXSA-N 554.813 4.659 0 40 KJAB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccc(Br)c(Cl)c4)cc3)C(=O)[C@H]2C1 408679082 CCWWPEHDIMFLGZ-XWIAVFTESA-N 533.806 4.824 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OC(C)=O)c(=O)n2[C@@H]1c1ccccc1Cl 408828409 DWKZSVFQNFTOBC-BYHQVZLYSA-N 748.764 4.586 0 40 KJAB CC(=O)Nc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 409084621 VTUUEYWKFDHHMF-UHFFFAOYSA-N 520.438 4.824 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Cl)OCO4)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409094142 CYMGFNPVDNEKJO-GVZDMDPYSA-N 590.101 4.648 0 40 KJAB COCCNC(=O)Cn1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c2ccccc21 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Cc1noc(C)c1-c1ccc2c(c1)Cc1cccc(c1)CN(C(=O)Cn1c(=O)n(C)c3ccccc31)CCOCCO2 643555037 GYHRVJGFDVQFGV-UHFFFAOYSA-N 566.658 4.640 0 40 KJAB O=C(CSc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1)NC[C@@H]1CCCO1 707435 BANPGPBKZNQJJY-AWEZNQCLSA-N 506.447 4.698 0 40 KJAB CCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 914667 IEYFAZJNKBQESD-UHFFFAOYSA-N 504.608 4.713 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)c(C)c1 923386 PAQPTNSRSTWTGT-UHFFFAOYSA-N 504.608 4.616 0 40 KJAB CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)n2c(s/c(=C\c3ccc(OCCC(C)C)cc3)c2=O)=N1 2665750 XEJHTBCBUQXFGT-FCKOQQNDSA-N 510.681 4.673 0 40 KJAB CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)sc2c1CCN(C(C)C)C2 3007166 WKWZASJKBFPOLF-KDURUIRLSA-N 547.743 4.610 0 40 KJAB COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2C)cc1Cl 3253465 HVSHZUKSDLRRAE-UHFFFAOYSA-N 548.036 4.568 0 40 KJAB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4ccc(OC(C)C)cc4)cc3)CC2)cc1 4122877 PIMNPLJQUFRXAV-UHFFFAOYSA-N 516.667 4.871 0 40 KJAB CCN(CC)CCCNC(=S)N(CCc1cccc(C)c1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 6193108 ZYDVHACXJFWFNO-UHFFFAOYSA-N 524.731 4.505 0 40 KJAB CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCC(=O)N3[C@H]3OC(=O)c4c3ccc(OC)c4OC)ccc21 8964890 JMGMSZDOGDGSIK-DWACAAAGSA-N 513.550 4.630 0 40 KJAB biogenic CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)cc1 12713931 DVUDJSNTPWDQPK-NDEPHWFRSA-N 527.625 4.722 0 40 KJAB CC(C)CNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 13679461 PUMSSHVUKLBFBN-UHFFFAOYSA-N 526.486 4.560 0 40 KJAB CCOC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc(C(=O)NC2CCCCC2)c1C 15277476 BIKPECHOPPMFFJ-UHFFFAOYSA-N 504.605 4.574 0 40 KJAB COc1cc(OC)cc(C(=O)Nc2ccc3nc(SCc4cc(=O)n5oc(C)cc5n4)sc3c2)c1 15864951 YPDQCSVKFZKUDO-UHFFFAOYSA-N 508.581 4.767 0 40 KJAB COC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1C 19855994 JCWODMQKIMXLBF-UHFFFAOYSA-N 507.395 4.922 0 40 KJAB COC(=O)c1cc2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4c(C)cc(C)cc4C)C3)ccc2s1 20017093 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KJAB COc1cc(CNCCN2CCOCC2)cc(Br)c1OCc1ccc(Cl)cc1Cl 22942535 CAKNTAKGRMZZII-UHFFFAOYSA-N 504.252 4.765 0 40 KJAB C=Cc1ccc(CSc2nc3cc(C(=O)N4CCOCC4)ccc3c(=O)n2-c2cccc(OC)c2)cc1 33078094 KEEQULXCBJTYRF-UHFFFAOYSA-N 513.619 4.802 0 40 KJAB C[C@H](Sc1ncccc1C(=O)O[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 36245341 VYFYCASABKWRPC-YWMBZZEHSA-N 517.736 4.989 0 40 KJAB COc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)Oc5ccccc54)cc3)no2)cc1 46086841 XTTGGPMTVZXHNW-KRWDZBQOSA-N 505.552 4.579 0 40 KJAB O=c1[nH]c(=O)n(CCc2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1cccc(Cl)c1)N2 53334826 XGKSDNOXWOJMDT-UHFFFAOYSA-N 516.829 4.625 0 40 KJAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cc(I)ccc1I 59825561 DTCWPPAYNRFZGW-UHFFFAOYSA-N 545.114 4.900 0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 60042988 KUTJXYDSIANAJI-UHFFFAOYSA-N 571.080 4.678 0 40 KJAB COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)C[C@@H]4c2cc(OC)c(OC)c(OC)c2)cc1 85878853 KTHSXRAZEVBRCC-GOSISDBHSA-N 518.518 4.944 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 97957653 LBSGBDFVHZNBIW-MFCBUNOESA-N 637.508 4.755 0 40 KJAB CCOC(=O)c1c(NC(=S)NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)sc2c1CCCC2 97961239 VMGOAKFTBPSIIA-UHFFFAOYSA-N 549.674 4.846 0 40 KJAB COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1OCC(=O)Nc1ccc(F)cc1 97972302 QPDSRHFFBXSSQT-XKZIYDEJSA-N 553.543 4.666 0 40 KJAB C[C@@H]1CCc2c(sc3ncn4c(SCC(=O)Nc5ccc(S(=O)(=O)N6CCCCCC6)cc5)nnc4c23)C1 100344590 VAISIYUCPABNIV-QGZVFWFLSA-N 570.766 4.759 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCCOc4ccc(C)cc4)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 100592328 CKKMXUXHPUSIBR-JUNLCRQGSA-N 584.694 4.573 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(OC)ccc3OC)n2-c2ccccc2)c1 102998725 CYEYPNIXDWQVPC-UHFFFAOYSA-N 581.720 4.713 0 40 KJAB COCCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2scc(-c3ccccc3Cl)c2c1=O 103122868 JYRBQJQMHMNESU-UHFFFAOYSA-N 530.027 4.884 0 40 KJAB 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CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)NC)S(=O)(=O)c2ccc(Br)cc2)cc1 223480116 ZQWITIWOPQJWEJ-MHZLTWQESA-N 616.578 4.639 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 223585590 JNUVLWLAVCCNRX-GDLZYMKVSA-N 622.585 4.999 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 223817696 BZOUBMUTWRCTNX-INIZCTEOSA-N 560.931 4.889 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 224238005 NHNVASITWZYFKP-MHZLTWQESA-N 600.181 4.978 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(C)(=O)=O 224298939 FTEXZBZMQGWYQE-SANMLTNESA-N 556.128 4.661 0 40 KJAB COc1cc(OC)cc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224448026 QBTGTVRTKYDXSA-HHHXNRCGSA-N 522.617 4.777 0 40 KJAB Cc1ccc(OCCNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3cc(C(C)(C)C)ccc3O2)c(C)c1 224499807 LNYQKYNQGGMJLV-HHHXNRCGSA-N 522.667 4.752 0 40 KJAB COc1ccccc1OCCNC(=O)C1=C(c2ccccc2)c2ccccc2N(Cc2ccccc2)S1(=O)=O 224589217 DEMITJAXICZYNO-UHFFFAOYSA-N 540.641 5.000 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1C 224768504 COYXSEBJFXTWSN-NRFANRHFSA-N 534.122 4.589 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 224791507 OFIYAQQNWWRYPR-OAHLLOKOSA-N 568.445 4.722 0 40 KJAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(=O)O)c2)c1 224848863 MRJUCAMXANOSGC-RPBOFIJWSA-N 500.580 4.765 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 224852586 FJFPNZJTKSUYQG-OAQYLSRUSA-N 560.091 4.926 0 40 KJAB COc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 224953212 WCLSKJGEGOJRLP-UHFFFAOYSA-N 526.655 4.918 0 40 KJAB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-n3cnnc3)c2C)ccc1NC(=O)C(C)(C)C 225095634 SIKKDIXINUDDAS-RPBOFIJWSA-N 544.685 4.573 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 225107367 SDYMGEVFRJYFHN-HHHXNRCGSA-N 539.673 4.663 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 225503345 ZGWIJRSXBHDZGY-PMERELPUSA-N 615.752 4.594 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)c1 225540300 UZCFETHJNVMHDO-QFIPXVFZSA-N 602.153 4.803 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225652756 WZWPYQPSBLUTFZ-DEOSSOPVSA-N 565.736 4.956 0 40 KJAB CN(Cc1ccccc1)C(=O)C[C@]1(COc2ccccc2)CCCN(S(=O)(=O)Cc2ccccc2)C1 257272944 NENKSAVWOXRBQZ-GDLZYMKVSA-N 506.668 4.726 0 40 KJAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 257283031 OWLYEDXDQODYCO-UHFFFAOYSA-N 544.054 4.899 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)c2ccc(C)cc2)cc1 260890068 CUJLWYADYTXQNC-XMMPIXPASA-N 565.736 4.839 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)c1 260902155 OMKIRFJJPSRHFB-XMMPIXPASA-N 553.700 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CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408669040 WSZCNQDYWVPLAB-FGLBQKIPSA-N 563.437 4.784 0 40 KJAB O=C(COC(=O)CCCCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)Nc1ccc(F)cc1 408685101 QCDIXJBATOUEDN-QYVRTBTHSA-N 540.591 4.760 0 40 KJAB Cc1cc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)c(C)cc1Br 408690766 WPPAVNQOUJENIE-WNHYQHMGSA-N 525.399 4.563 0 40 KJAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1 408694189 FCUPWCVENCPAPK-UHFFFAOYSA-N 562.113 4.630 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(C)cc4)c3)cc2)c1 408712289 HTJZHMOORWFHRV-UHFFFAOYSA-N 581.672 4.866 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3F)CC2)Cc2ccc(Cl)c(Cl)c2)cc1 409005816 WQDCKQKVCRFCKJ-UHFFFAOYSA-N 550.483 4.981 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(Br)c3O)c(=O)n2[C@@H]1c1cccc2ccccc12 409082229 RNIFEDSWAFMNGH-GSERBOKHSA-N 644.341 4.888 0 40 KJAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(F)cc3)c(I)c2)C1=O 409106536 NVLGCAVNPLWDCJ-SGEFVQMOSA-N 541.338 4.607 0 40 KJAB COCCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)C1=O 409129137 KDTYSSXLUCGFMB-XDHOZWIPSA-N 539.391 4.870 0 40 KJAB COC(=O)c1c(NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCCC2 409147169 VJQITMZEYRTPCX-UHFFFAOYSA-N 558.678 4.573 0 40 KJAB Cc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccc(I)cc3)n2C)C(C)C)cc1 409159038 UTZVFUIYEKLGKS-FQEVSTJZSA-N 563.465 4.586 0 40 KJAB CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1OC 409262862 FZVFTYSWEQJWIR-OGLMXYFKSA-N 601.681 4.733 0 40 KJAB COc1cc(C(=S)N2CCN(C)CC2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1Cl 409267953 YGFMGLLYVFBHCS-UHFFFAOYSA-N 547.302 4.705 0 40 KJAB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc4ccccc4oc3=O)C2=O)ccc1Cl 409270543 HECRZFCAZSMWCF-RGVLZGJSSA-N 526.954 4.688 0 40 KJAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C1=O 409349438 PWYYHCXOETYYBM-HZHRSRAPSA-N 501.564 4.688 0 40 KJAB CCCOC(=O)c1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(Cl)cc3)n2CC)c1 409359169 WJTYFXYJQITDBM-INIZCTEOSA-N 530.050 4.740 0 40 KJAB Cc1ccccc1NC(=O)[C@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)O 409383244 SRSZDAVOJUZORX-NHCUHLMSSA-N 516.333 4.776 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc(OC)c3OCc3cccc4ccccc34)C2=O)o1 409400567 UGVYLIYVJDDRAZ-HZHRSRAPSA-N 512.518 4.900 0 40 KJAB O=C(c1ccc2c(c1)Cc1cccc(c1)CN(C1CCOCC1)CCOCCO2)N1CCN(Cc2ccc(F)cc2)CC1 643580623 YCLIPRZIIGMMNE-UHFFFAOYSA-N 587.736 4.765 0 40 KJAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)CSc2nnc3c(C)cc4cc(OC)c(OC)cc4n23)cc1 877348 AZGFHENXTBIRGC-NRFANRHFSA-N 583.736 4.892 0 40 KJAB COc1ccc(Cn2nnnc2[C@H](c2ccc3ncccc3c2)N2CCN(c3nc4ccccc4s3)CC2)cc1 1327889 XVHLILITQZQGMZ-NDEPHWFRSA-N 548.676 4.800 0 40 KJAB BrC(Br)(Br)COCOCC(Br)(Br)Br 1684614 RXUANTDRTVVNMP-UHFFFAOYSA-N 577.525 4.654 0 40 KJAB CC[C@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn12)C(=O)Nc1cc(OC)ccc1OC 2969594 IYQWGRPNYSVKQI-DEOSSOPVSA-N 545.669 4.860 0 40 KJAB CCOc1ccc(-n2c(SCC(=O)NCc3ccccc3OC)nc3sc4c(c3c2=O)CCC4)cc1 3348986 HLBBWFZESJLOPI-UHFFFAOYSA-N 521.664 4.752 0 40 KJAB CC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(=O)NC2CCCCC2)c1N)c1ccc(F)cc1 6074573 DOOLDNXOUFCRAX-XMMPIXPASA-N 567.687 4.935 0 40 KJAB Cc1ccccc1CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)S(=O)(=O)c1cccc2nsnc12 6444246 JDKGAZSVXIUCMI-UHFFFAOYSA-N 518.664 4.892 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccc(OC)cc2)C(=O)CCn2nc(C)cc2C)cc1 6601247 GJSUNOWKRQEIRN-NDEPHWFRSA-N 520.674 4.982 0 40 KJAB O=C1C(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)Nc2ccc3c(c2)OCO3)c2cccs2)c2ccccc21 8712377 QHENVMSDBYUSTH-MHZLTWQESA-N 571.586 4.554 0 40 KJAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2ccc(Cl)cc2)cc1 9215932 YESISLCAZRCXGE-XMMPIXPASA-N 524.042 4.931 0 40 KJAB CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C2=C(N=3)c3ccccc3CC2)cc1OC 9427708 HGFPVBYCQVGAEI-PKYOQBLNSA-N 524.642 4.735 0 40 KJAB COc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccc(C)cc2)C(=O)CCC(=O)Nc2cc(C)on2)cc1 12492575 QPLWXPILPITABL-HHHXNRCGSA-N 520.630 4.704 0 40 KJAB CCOc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)CC)c2cccs2)c1 13032644 OYQPCQGWSKVDEI-RUZDIDTESA-N 505.644 4.971 0 40 KJAB COc1cc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c(O)c2)cc(OC)c1OC 14275044 FUBRDXZXADHQTP-UHFFFAOYSA-N 507.568 4.970 0 40 KJAB Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)C3)CC2)c1C 26110291 YVYSKYHQBNXOGT-NRFANRHFSA-N 524.514 4.501 0 40 KJAB CCOC(=O)[C@@]1(Br)C(c2ccccc2)[C@](Br)(C(=O)OCC)[C@@](C)(Br)N[C@@]1(C)Br 33355172 CPKBQOWOKDFJPW-ZQOAIWECSA-N 649.012 4.989 0 40 KJAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H](c1ccccc1)N(Cc1cccnc1)C(=O)Cc1ccccc1 33711356 CLQGUAMQLJILBL-HKBQPEDESA-N 520.633 4.870 0 40 KJAB COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)C[C@@H]4c2cc(OC)c3c(c2)OCO3)cc1 96113754 UUBMSUGALIVVPT-QGZVFWFLSA-N 502.475 4.656 0 40 KJAB biogenic COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 97945746 WVXBWYHXGRKNJH-UHFFFAOYSA-N 536.028 4.885 0 40 KJAB CCOC(=O)C1=C(COc2nnc(-c3ccccc3)c(-c3ccccc3)n2)N(C)C(=O)N[C@H]1c1ccc(OC)cc1 100243283 KACOLFDYYSNETE-SANMLTNESA-N 551.603 4.807 0 40 KJAB COc1ccc(CNC(=O)[C@H](c2ccc(C)cc2)N(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2)cc1 100391402 KKLSEEZIMNNJFZ-YTTGMZPUSA-N 613.736 4.729 0 40 KJAB COc1ccc(/C=C/C(=O)NC(=O)c2ccccc2OCC(=O)c2ccc(Br)cc2)cc1OC 101581177 PNFOIHODOMDBDW-RIYZIHGNSA-N 524.367 4.698 0 40 KJAB CC[C@@H](Sc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1)C(=O)NCc1ccc(C)cc1 102756337 QKAODKAFCSVREH-GDLZYMKVSA-N 556.732 4.971 0 40 KJAB COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)CN2N=N[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@@H]32)cc1 102831128 LPNBEHPHBADNRB-SKBVVQJISA-N 621.879 4.782 0 40 KJAB O=C(Nc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCOCC1)c1ccc2c(c1)OCCO2 102996357 BXDGGMSSKZXIBC-UHFFFAOYSA-N 564.447 4.654 0 40 KJAB CCOc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)cc(Br)c1OCc1ccccc1F 105252068 JTRVFBWTLKDIHM-UHFFFAOYSA-N 537.451 4.546 0 40 KJAB COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2C)CC1=O 138691763 ASDRUDVYFTUWMG-GFCCVEGCSA-N 530.202 4.608 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 139700965 FTHORXTZIDPRLT-QFIPXVFZSA-N 576.140 4.754 0 40 KJAB Cc1nccn1-c1ccccc1CNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 140092048 VDXDYQCSSKCNPG-UHFFFAOYSA-N 529.449 4.999 0 40 KJAB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OC(C)=O 163304727 QDCOHPJRHKSDJK-QTTRZTASSA-N 634.495 4.857 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 214665892 QUKITAOLUCMJIC-UDWIEESQSA-N 581.872 4.585 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 222388188 YUYRGAOHVVHPCB-FQEVSTJZSA-N 562.519 4.969 0 40 KJAB COc1ccc(-c2nnc(NC(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)cc4Cl)C3)s2)cc1 222555951 BYLJCQRLXJHFIX-OAHLLOKOSA-N 541.482 4.701 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 222609883 DSLUHICOHZUOSR-MHZLTWQESA-N 539.673 4.661 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 222671637 CNWDAKXPPKTZLU-QFIPXVFZSA-N 542.529 4.708 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 223055172 SRJPAEYUAGQPAC-ZWKOTPCHSA-N 572.953 4.509 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 223208582 GKFLBSCGGNNJQO-VWLOTQADSA-N 560.091 4.845 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 223306710 BZVPTKAJKQHAMC-VWLOTQADSA-N 515.720 4.572 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223445332 WXLZHBMMNCAOKL-ABYGYWHVSA-N 549.737 4.624 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223567960 PQNMAYQYJQODKG-JIPXPUAJSA-N 574.118 4.800 0 40 KJAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1OCC 223683698 GZQXVKCXSSWVMS-GFCCVEGCSA-N 545.470 4.934 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223707993 FTFGSUFZCJYODO-LJAQVGFWSA-N 565.736 4.923 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 223803964 KZSZDYKMNITYFT-RUZDIDTESA-N 536.138 4.953 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1 223804644 OKCPHTQWSXDJFL-VWLOTQADSA-N 577.747 4.816 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 224141417 HBXGVNFLBVDSCH-VWLOTQADSA-N 542.101 4.787 0 40 KJAB CCCc1ccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1 224205247 WNLOQXKIWKRXAG-LJQANCHMSA-N 513.487 4.683 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 224237223 ZKCBESKLTFPVBZ-IBGZPJMESA-N 542.529 4.729 0 40 KJAB Cc1c(Cl)cccc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O 224328937 JUVOWHUURNQOSL-KRWDZBQOSA-N 562.947 4.911 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224492106 AOGDKRKRBQZQPW-HXUWFJFHSA-N 568.445 4.722 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224629538 XRACBCIIPXXAKG-MHZLTWQESA-N 604.144 4.809 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 224646282 CYBCLDVTUOHFRJ-LJAQVGFWSA-N 565.736 4.779 0 40 KJAB O=C(NCc1cccc(CN2CCCCC2)c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 224673201 XNPUPFWJEBMECV-UHFFFAOYSA-N 538.541 4.838 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 224677018 MDVKHOAOILOQSH-VWLOTQADSA-N 565.736 4.841 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224782297 NPRWYAZPCIPAPD-FQEVSTJZSA-N 546.064 4.618 0 40 KJAB CCc1cccc(C)c1N(Cc1ccc(C(=O)NCCOc2ccccc2Cl)cc1)S(C)(=O)=O 224844671 VFHNUURPSCVGPV-UHFFFAOYSA-N 501.048 4.986 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 224883139 DLIVNPRJVDQVPH-NDEPHWFRSA-N 595.762 4.787 0 40 KJAB CCn1c(=O)sc2cc(NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)ccc21 225085735 ZAOYEHOZIXYIBM-UHFFFAOYSA-N 590.521 4.996 0 40 KJAB COc1cccc(N(CCCC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 225198363 WOXIBGWWXUNKAJ-NRFANRHFSA-N 608.599 4.870 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 225228477 XTSZSOFTZNXYRZ-GOSISDBHSA-N 588.515 4.607 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)ccc1OC 225302472 RWBCBBHIBNICKI-RRPNLBNLSA-N 531.613 4.782 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 225344983 TUHMPROFEQXRLH-FQEVSTJZSA-N 578.946 4.755 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C)S(C)(=O)=O 225378854 BHEMMTROLWAWSE-NDEPHWFRSA-N 570.155 4.971 0 40 KJAB Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)O)cc2)cc1 225577532 OBEVFFWJQUWBAM-KAYWLYCHSA-N 525.634 4.880 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225607716 BIJDRRPONYAHNC-XMMPIXPASA-N 582.937 4.799 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)c2ccccc2F)cc1 225680971 MGJYMQAOKJQBAN-QFIPXVFZSA-N 557.663 4.658 0 40 KJAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCSCc3ccc(Cl)c(Cl)c3)s2)c1 225703087 HEACEDPJXZRNJA-UHFFFAOYSA-N 517.485 4.617 0 40 KJAB CC[S@](=O)[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 255976976 HOPJJYXGUGPOFD-GFZDULFMSA-N 508.636 4.765 0 40 KJAB in-vitro CCc1ccc(N(CCCC(=O)N(Cc2ccc(F)cc2)[C@H](CC)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 260790266 LZDIWBWHIKXKPL-HHHXNRCGSA-N 545.721 4.801 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 260893531 LXBLAVRZHJAARI-ZEQRLZLVSA-N 581.735 4.540 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 260929863 HKXKZYTYYHVEMY-PKTZIBPZSA-N 599.725 4.679 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 260972053 MSMMHLLLCFTYOV-UXHICEINSA-N 536.138 4.736 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)N(C)C)c1 261000008 PIUBWDSDWHQWJM-GDLZYMKVSA-N 596.769 4.610 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 261008904 GLKXPVAHINKRSM-AEFFLSMTSA-N 572.953 4.509 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 261049416 ZUEYWUISMVWORY-GIGWZHCTSA-N 625.788 4.938 0 40 KJAB COc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)Nc2c(C)cccc2C)cc1 408575813 KWNFLLJATWJXJV-UHFFFAOYSA-N 535.398 4.990 0 40 KJAB Cc1ccc(CN(c2ccc(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)cc2)S(C)(=O)=O)cc1 408613772 YBZFVUJLLWGMRJ-UHFFFAOYSA-N 528.634 4.539 0 40 KJAB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)cc2)c1 408640082 HFELXCRQJOWJPN-IZKJEYCLSA-N 611.050 4.861 0 40 KJAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)cc1Cl 408644175 DUWUAIHFQSDDMI-ZDUSSCGKSA-N 514.203 4.908 0 40 KJAB CC1=CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@H]4CC(=O)N(c5cccc(Cl)c5Cl)C4)c3)C(=O)[C@H]2C1 408660856 LQPIUVPIERQIDC-SNRMKQJTSA-N 513.377 4.798 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 408730449 QWPWLTZBQXIEHK-LWUPDDLQSA-N 579.472 4.829 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C\c4cc(OC)ccc4OC)c(=O)n32)cc1 408836585 SSCIDGIFAFDJDS-PKYOQBLNSA-N 569.683 4.517 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)cc(OC)c4O)c(=O)n32)cc1 408853274 MUNASMWAMMDFLS-LMSRTUJASA-N 620.525 4.749 0 40 KJAB O=c1/c(=C/c2ccc(OCc3cccc(F)c3)c(I)c2)sc2nc3ccccc3n12 408902361 HWRFKXTWGDCNQC-MTJSOVHGSA-N 528.346 4.780 0 40 KJAB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n21 408945886 HVWWVSKINQUBRF-WQLLJXGDSA-N 795.231 4.873 0 40 KJAB CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1I 409107006 PQXYBESTXZUFCN-NLZIUFDSSA-N 757.432 4.720 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OC(F)F)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 409155532 JAGLXNSHMRWYBW-WWFXOLRUSA-N 592.620 4.554 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)cc1OC 409170508 WAQJHBLVIOWZQX-OCKHKDLRSA-N 641.880 4.515 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c2ccccc2)cc1OC 409174409 SJMWTAGOKJVBIO-UHFFFAOYSA-N 595.699 4.647 0 40 KJAB Cc1ccccc1CSCCNC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 409177882 JAGRLQPLHKBFTK-UHFFFAOYSA-N 580.513 4.845 0 40 KJAB COc1ccc(OC)c(N(CC(=O)NCCSCc2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409181539 CMKCZRRIZWSIPM-UHFFFAOYSA-N 595.139 4.619 0 40 KJAB COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 409230492 YVBGLTAVPQFHID-LPYMAVHISA-N 597.409 4.719 0 40 KJAB CC(C)CC(=O)N1CCCN(C(C)C)CCN(C(=O)CCCn2cccn2)Cc2ccc(Cl)cc21 643565831 OXDLCQBORIIQTA-UHFFFAOYSA-N 502.103 4.839 0 40 KJAB Cc1ccc(C)c(Cn2c(=O)n(-c3ccccc3C(F)(F)F)c(=O)c3c(C)c(C(=O)N(C)C)sc32)c1 2689994 ZARBOJJIUKMQSQ-UHFFFAOYSA-N 515.557 4.908 0 40 KJAB COc1ccccc1N(S(=O)(=O)c1ccc(Br)cc1)S(=O)(=O)c1ccc(Br)cc1 2727784 VDOYPHZBBCZVCN-UHFFFAOYSA-N 561.273 4.804 0 40 KJAB Cc1cc(Br)ccc1SCC(=O)OCC(=O)Nc1ccc(I)cc1 3219584 ZBWOVQARIRLEMF-UHFFFAOYSA-N 520.186 4.636 0 40 KJAB O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 3241592 FNHGFQSVYSCBID-UHFFFAOYSA-N 520.004 4.538 0 40 KJAB CCOC(=O)Oc1c(OC)cc(C(=O)O[C@@H]2C[C@H]3CN4CCc5c([nH]c6cc(OC)ccc56)[C@@H]4C[C@@H]3[C@H](C(=O)OC)[C@@H]2OC)cc1OC 3831494 ZCDNRPPFBQDQHR-DNHOZYRUSA-N 666.724 4.698 0 40 KJAB COC(=O)c1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccnc2)C(=O)Cc2cccs2)cc1 12477458 ASGDKYRVYDSLPL-SANMLTNESA-N 505.640 4.691 0 40 KJAB COc1ccc(CCN2CC(=O)N3C[C@H](c4ccc(C)cc4)c4c([nH]c5ccccc45)[C@@]3(C)C2=O)cc1OC 12872669 XVQXACCXMAPYPE-QNLPTKCRSA-N 523.633 4.768 0 40 KJAB biogenic C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2N=C(/C=C/c3ccco3)C[C@@H]2c2ccco2)C1=O 14197147 QYBBDTHHGWTTDM-PJDKQIDISA-N 508.534 4.836 0 40 KJAB COc1ccccc1Nc1nc([C@H](C)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nc2ccccc12 22052723 QKJQGTKETZQXML-NRFANRHFSA-N 517.655 4.758 0 40 KJAB CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 22428582 APLNHPMRXWICTF-SFHVURJKSA-N 517.445 4.921 0 40 KJAB O=c1c2c3c(sc2nc(SC[C@@H]2CN(Cc4ccccc4)CCO2)n1Cc1ccccc1)CCC3 25747149 AJHPMUBNVCPGOM-QFIPXVFZSA-N 503.693 4.988 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1)c1cccc(Cl)c1Cl 59852935 MPYOWJRTSQMMLR-UHFFFAOYSA-N 606.513 4.803 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc(Cl)cc1 59884710 INBRQGBEJHJNFH-UHFFFAOYSA-N 561.991 4.564 0 40 KJAB COc1cc(OC)cc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2ccc(Br)cc2)c1 97961584 NEYNEDXGSUCQIN-UHFFFAOYSA-N 608.518 4.658 0 40 KJAB CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccccc2C)cc1 100363511 INJLRLLFUKJUPC-SSEXGKCCSA-N 538.652 4.922 0 40 KJAB O=C(NCC(=O)N(c1cccc(C(F)(F)F)c1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1)c1cccs1 100414943 BAPHGFVLHHQKLI-ZJSXRUAMSA-N 545.583 4.566 0 40 KJAB CC(=O)C1=NO[C@@H](CN(N(C)c2ncc(C(F)(F)F)cc2Cl)S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 100915439 KYUGGLBTNUGZEM-CQSZACIVSA-N 558.888 4.549 0 40 KJAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1 100962253 VAVXIKHZCQZNLE-UHFFFAOYSA-N 547.040 4.739 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)O)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 103863168 OPOQOUVFCJJNDT-ZHGFHMGHSA-N 606.656 4.902 0 40 KJAB COc1ccc(NC(=O)[C@H](CC(C)C)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cn1 108447988 XLKWVZDPOOOWFQ-AHWVRZQESA-N 604.704 4.732 0 40 KJAB biogenic O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 216376384 NVLGBCSTNXIOOH-UHFFFAOYSA-N 568.504 4.972 0 40 KJAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)COc4ccc(S(=O)(=O)Nc5ccccc5)cc4)cc32)cc1 222677142 HOPBMQMIUHWKDU-UHFFFAOYSA-N 557.628 4.716 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 222761163 NIOGSQZRUOHIEL-DEOSSOPVSA-N 612.963 4.808 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 222843799 IYJWFURLIYWDAF-FQEVSTJZSA-N 618.127 4.778 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 222959547 ZQMLKSBSNHXYJO-VWLOTQADSA-N 565.736 4.923 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 223067695 RFEWBXKQPJSPDC-VWLOTQADSA-N 565.736 4.923 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 223073171 ZGKYEUKAAGLQDW-RBUKOAKNSA-N 542.529 4.872 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 223097529 KGQWQQRHODCTBZ-DNQXCXABSA-N 553.700 4.970 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223099568 HCKHQSJRZOFLBZ-DEOSSOPVSA-N 551.709 4.533 0 40 KJAB Cc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 223110922 OUXOGTUXFHUENV-QHCPKHFHSA-N 553.700 4.704 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223195868 TUSHFCQZSUPVAT-JOCHJYFZSA-N 542.101 4.869 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 223286693 YAMQMHWKZRGXQL-VWLOTQADSA-N 562.519 4.536 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 223346135 XFGJPQAAUXGQJZ-MRXNPFEDSA-N 548.920 4.746 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 223695691 OPCCCZCHXIZDCS-FUFSCUOVSA-N 567.727 4.927 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 223899916 PJDQAKCHSDBCJT-JOCHJYFZSA-N 646.604 4.914 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 224000954 HXDWVLSSLKUGPF-NDEPHWFRSA-N 505.618 4.966 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 224120399 ZIFAJLQFIZFZEW-HHHXNRCGSA-N 563.720 4.757 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 224357415 SLQKPLGFTWNXGV-VWLOTQADSA-N 546.064 4.618 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 224470013 JSSKCWLACVPGIW-SANMLTNESA-N 618.569 4.909 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 224938098 QCIVUHNYYBBAEB-VWLOTQADSA-N 566.164 4.783 0 40 KJAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 225043256 NYGQDLLXAFTQOR-JOCHJYFZSA-N 542.101 4.521 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 225141784 OBONLOZOTWYEHT-RUZDIDTESA-N 548.149 4.979 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225227922 AGGTUWNZDNSITK-LEWJYISDSA-N 603.688 4.509 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 225325361 VNQBMJZAEGWLKW-JKSUJKDBSA-N 593.371 4.854 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)c2ccccc2C)cc1 225481121 ZYFOWVUXWSOVON-VWLOTQADSA-N 535.710 4.749 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 225512991 PPHWQHQKWPXGKH-HHHXNRCGSA-N 556.128 4.581 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1Cl 225516007 OBHDBNOSAFOXEM-JOCHJYFZSA-N 515.835 4.867 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2c3ccc(Br)cc3C[C@@H]2C)Cc2ccccc2)cc1 225998587 PJBZMFWWLVUOOO-IBGZPJMESA-N 513.457 4.926 0 40 KJAB CNC(=O)COc1ccc2c(c1)O[C@@](C)(CCC=C(C)C)[C@H]1C[C@]3(CO[C@H]21)CN(C(=O)OC(C)(C)C)CCO3 257282022 ORYRDIIYYODHBU-UEQKWVTMSA-N 544.689 4.793 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 260784830 JTEFMJCMDFUICJ-XMMPIXPASA-N 595.737 4.938 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 260806629 SJXZLGDZEOOIHR-GOSISDBHSA-N 540.513 4.544 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260826070 YFNMGCKYXHXOJG-XMMPIXPASA-N 557.757 4.540 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1C 260826106 YKAJLBWAMUAABD-OAQYLSRUSA-N 534.122 4.589 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)c2ccccc2OC)cc1 260958021 KSAVEJOOHGQOJY-HSZRJFAPSA-N 581.735 4.540 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 261008379 SZSRDEJUBLJQEO-RPWUZVMVSA-N 581.735 4.540 0 40 KJAB COc1cccc(NC(=O)C(=O)Nn2c(C(=O)Nc3cccc(C)c3)cc3cc(Br)ccc32)c1 408574198 FUPXIOWGZAXNJB-UHFFFAOYSA-N 521.371 4.682 0 40 KJAB Cc1cccc(N2CCN(C(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)CC2)c1C 408617515 CNELHKUTDSWPAM-UHFFFAOYSA-N 556.526 4.606 0 40 KJAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 408620776 LXKOYCFINQPCRT-UHFFFAOYSA-N 581.474 4.669 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Br)c3)c(C)c2)cc1 408674634 DEYGAXAXMNNCMQ-UHFFFAOYSA-N 519.417 4.975 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2C)cc1 408675446 ZLAQGRLOTDHHQU-UHFFFAOYSA-N 526.611 4.779 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)cc1 408693032 CAKNLYBUUYELFF-UHFFFAOYSA-N 587.720 4.630 0 40 KJAB CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(I)c2)cc1 408782766 JJJIRNMQQGNXCB-UHFFFAOYSA-N 514.429 4.846 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)cc3)c2=O)=N1 408864131 WSCGRIJSBFYQMH-PYCBVSLESA-N 612.704 4.864 0 40 KJAB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(I)cc1 408927421 WRMJDBGTHPORBH-UHFFFAOYSA-N 540.810 4.774 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(C)cc3)c2=O)=N1 409029496 BEKRQMGWJVVQCQ-XPCGLTFESA-N 511.043 4.549 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC 409034459 HFHZQSRUUGMCMQ-ZKEKZPBLSA-N 717.635 4.697 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4ccc(I)cc4)cc3)c2=O)=N1 409045208 IAWQLQCFCVGLAX-CMISJSSVSA-N 636.511 4.982 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(I)cc(OC)c3OCc3ccccc3)c2=O)=N1 409049966 RSQPIAPTBZAYGK-QPJBPQEWSA-N 666.537 4.991 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3cccc(C)c3)n2CC)sc(C(C)=O)c1C 409145859 RCXNYPHXLJNCOP-MRXNPFEDSA-N 557.698 4.577 0 40 KJAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(Cl)c(C(=O)OC)c2)C1=O 409169698 RBUVWZMIBGPJSR-HXJASHHUSA-N 502.976 4.979 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C1=O)Nc1ccc2c(c1)OCO2 409274929 RHLGLBGNQSFSKV-GATIEOLUSA-N 572.574 4.823 0 40 KJAB Cc1sc(NC(=O)CSc2nnc(CNC(=O)/C=C/c3ccccc3Cl)n2C)nc1-c1ccccc1 409357354 QBOMYXFRQYFIRQ-OUKQBFOZSA-N 539.086 4.961 0 40 KJAB Cc1cc(I)ccc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccc(Cl)cc2)n1C 409361793 RAAUXKPCFFIVJU-ZDUSSCGKSA-N 569.856 4.603 0 40 KJAB O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)NCc1ccco1 409367379 VTEJYOWQFRVYCN-UHFFFAOYSA-N 532.243 4.856 0 40 KJAB CC(C)(C)C(=O)/C=c1\s/c(=C/c2ccc(OCc3ccccc3)cc2)c(=O)n1CC(=O)N[C@H]1CCCc2ccccc21 585139625 HQAGZOVUZHVILY-LUCDRYMWSA-N 580.750 4.907 0 40 KJAB Cc1cccc2c1N(C(=O)COc1ccccc1)CCCN(C(C)C)CCN(C(=O)c1cccnc1C)C2 643566797 KAJHBYYZJMDINX-UHFFFAOYSA-N 514.670 4.867 0 40 KJAB COc1cccc(OCC(=O)N2Cc3ccccc3N(C(C)=O)CC[C@H]3CCC[C@@H](C2)N3Cc2ccccn2)c1 2037940869 YGWJKWMIIHSYDF-IZLXSDGUSA-N 542.680 4.678 0 40 KJAB CCOc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccc(OC)c(OC)c1 905636 IWAMNPOHTLEFHK-UHFFFAOYSA-N 519.623 4.786 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O 1374446 CMGPPVWKILFGFY-NDEPHWFRSA-N 524.625 4.734 0 40 KJAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCN(c4cc(Cl)ccc4C)CC3)cc2c1 6281942 MMFGFACYCJKUDC-MUUNZHRXSA-N 540.071 4.745 0 40 KJAB Cc1cc2cc([C@H](c3nnnn3C3CCCC3)N3CCN(c4nc5ccccc5s4)CC3)c(=O)[nH]c2cc1C 6321241 ZSOXIHRXHKRHSH-AREMUKBSSA-N 540.697 4.768 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(C(F)(F)F)cc3)c2=O)=N1 9363738 HPJUDSXBNUKWFK-FOOJEKODSA-N 519.548 4.893 0 40 KJAB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)c3ccc(NC(=O)c4ccco4)cc3)cc2)cc1 9543577 PCFLTZXEBLPJGT-UHFFFAOYSA-N 519.531 4.648 0 40 KJAB CCOc1ccc(CNC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(SC)cc2)cc1 10448773 HWPQDFKYIUTPGO-UHFFFAOYSA-N 514.669 4.718 0 40 KJAB CCN1C(=O)c2cccc3c(NC(=O)[C@@H]4CCCN(S(=O)(=O)c5ccc(Cl)s5)C4)ccc1c23 10768107 VTEXTBSXWQCPDG-CQSZACIVSA-N 504.033 4.574 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)CCC(=O)Nc1cc(C)on1)c1cccc(F)c1 12491163 FHQAXGGGHSYYCJ-SANMLTNESA-N 524.593 4.929 0 40 KJAB CCCOc1ccc([C@@H]2CN3C(=O)CN(C[C@@H]4CCCO4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC 12878628 LINWQLATBBFZNW-KOVHPOKXSA-N 531.653 4.566 0 40 KJAB biogenic COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2cccc(OC)c2)cc1 13028605 MASGQOYUMRWQMP-GDLZYMKVSA-N 527.625 4.672 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2OCC)c2ccc(C)cc2)cc1 13669234 QQWXVXAUNLVKHK-UHFFFAOYSA-N 510.656 4.737 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1C 14153529 QCXRGNVBWIWVTP-OAQYLSRUSA-N 529.684 4.514 0 40 KJAB COc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1OC 14155111 IIXSSANWJWACNK-UHFFFAOYSA-N 503.020 4.747 0 40 KJAB O=S(=O)(Nc1ccc(Cl)cc1)c1cc(NC(=S)NC[C@H]2CCCO2)ccc1N1CCCCC1 14360399 YSDYZIJGICCDNW-HXUWFJFHSA-N 509.097 4.597 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(F)c(F)c2F)cc1Cl 20014471 DSKXBCHBBGXFQE-UHFFFAOYSA-N 512.937 4.638 0 40 KJAB O=C(Nc1ccc(I)cc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 20241827 TVAOLLRFWZXLPW-UHFFFAOYSA-N 511.407 4.861 0 40 KJAB Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)CC3)CC2)c1C 26109041 VGRWMIOINNAKEY-UHFFFAOYSA-N 524.514 4.501 0 40 KJAB COc1ccc(-c2csc(-c3cc(NC(=O)[C@H]4CC(=O)N(c5ccc(C)cc5)C4)n(C)n3)n2)cc1OC 35683110 TZNOFLIWDFYROV-SFHVURJKSA-N 517.611 4.528 0 40 KJAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)Nc1ccc(Br)cc1C(=O)O 38141365 BTQVPFQZFLLHAZ-UHFFFAOYSA-N 524.396 4.636 0 40 KJAB CCOC(=O)c1sc2nc(CN(Cc3nc4sc(C(=O)OCC)c(C)c4c(=O)[nH]3)C3CCCCCC3)[nH]c(=O)c2c1C 96021865 DZWDMOZVDQXIHM-UHFFFAOYSA-N 613.762 4.978 0 40 KJAB CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)o2)cc(OCC)c1OCC 97963836 XGWDMCALGFEVAA-GOSISDBHSA-N 558.657 4.606 0 40 KJAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)n2c(s/c(=C/c3ccccc3OC(F)F)c2=O)=N1 98046204 XCQPXIGGJQFLSA-YJADQXIJSA-N 537.613 4.845 0 40 KJAB O=C(NC(=S)Nc1c(Br)cc(Br)cc1C(=O)O)c1ccccc1I 100008248 PGXCXHKVDLBGMD-UHFFFAOYSA-N 584.027 4.641 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccccc1 101853430 ZCCJOUMHZLRRFH-MSMNXAATSA-N 545.458 4.698 0 40 KJAB COc1cc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC 103079894 QFFRQSNYZSLKLM-HKWRFOASSA-N 617.680 4.580 0 40 KJAB Cc1cc(C)cc(N(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c2nc3ccccc3s2)c1 103138544 QFFIANODHHLXHS-UHFFFAOYSA-N 536.679 4.711 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@H]1c1ccccc1 103862455 HGBQKFULZVGNBP-WNOSOOIWSA-N 551.451 4.948 0 40 KJAB CC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 105307485 VHXRBUPPFIFARZ-IZZDOVSWSA-N 538.434 4.605 0 40 KJAB CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc2c(c1)OCO2 112256448 RYRGPSJKFDNILR-UHFFFAOYSA-N 620.027 4.683 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)c1 113625258 WLJRFEQIKSCDLX-UHFFFAOYSA-N 531.428 4.768 0 40 KJAB CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)OCC(=O)Nc2ccc(I)cc2)c1I 150480808 IHCCCOSQTUWPMG-UHFFFAOYSA-N 872.961 4.817 0 40 KJAB CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O 211636405 DVXQNNYVNXVLDP-WBYKHBECSA-N 554.640 4.849 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccc(SC)cc1 215979298 RIFDRVZJVWHQEU-UHFFFAOYSA-N 612.755 4.837 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 222496078 WFIAHHYEKJZKLL-SFHVURJKSA-N 568.017 4.717 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 222523090 ZBBFQGFXNQISHC-MUAVYFROSA-N 581.735 4.621 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 222632061 GEBASZOPVGKOIX-OAQYLSRUSA-N 542.101 4.867 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 222638676 WHGUHQPYHZOEKH-IBGZPJMESA-N 548.492 4.660 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)Oc3ccc(C(C)(C)C)cc32)cc1 222715397 LGSDYUDNAOQDFP-VKGTZQKMSA-N 566.676 4.598 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 222968957 ZZQYRSQCNJLWCY-RUZDIDTESA-N 565.736 4.923 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 222974221 KOCFACSSFHYJGK-SANMLTNESA-N 542.101 4.706 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 222999768 DEYYUNZLQSJZJA-VWLOTQADSA-N 535.710 4.832 0 40 KJAB COc1ccc(CN(C(=O)COc2ccc(Br)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 223083723 BZFMTIFZYYJXSX-OAHLLOKOSA-N 511.844 4.822 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)c1 223104256 YAYJBXLDMKJMIS-DEOSSOPVSA-N 595.762 4.582 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1CC)S(C)(=O)=O 223299613 OJBJOHYNTGXOPT-GOSISDBHSA-N 542.529 4.655 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(C)cc1)[C@@H](CC)C(=O)NC(C)(C)C)S(C)(=O)=O 223308911 HSSQRTFMYRGATR-DEOSSOPVSA-N 545.746 4.662 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 223337366 GXKCLZJOPIBLLV-FYBSXPHGSA-N 563.764 4.933 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 223681685 LRCGZBIPAPTSMX-CCLHPLFOSA-N 592.108 4.939 0 40 KJAB CCCC[C@H](CC)CNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223721007 BKSZEPOYRANPKO-SFHVURJKSA-N 527.083 4.894 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)cc1 223729393 KFRIFBMGFCNPMV-VWLOTQADSA-N 577.747 4.983 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223757494 QMBADRPVFQQHCJ-WJOKGBTCSA-N 661.752 4.577 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 223858808 TVZMFVOPGHJHIY-CYBMUJFWSA-N 555.311 4.620 0 40 KJAB O=C(Nc1nnc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)s1)c1ccc(Cl)cc1 223905838 USVGSOVTYCOEQY-UHFFFAOYSA-N 554.097 4.540 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 224118460 RNMPPOJYLJZIJJ-QGZVFWFLSA-N 588.515 4.606 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1OC 224191542 VYNTXWVMARXTIT-QHCPKHFHSA-N 599.725 4.536 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1Cl 224329017 KVGDXIVGWSRCEL-KRWDZBQOSA-N 562.947 4.911 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224744637 PBKWYOPKNCNNKQ-AREMUKBSSA-N 557.663 4.740 0 40 KJAB COc1ccc(N(Cc2ccc(C(=O)NCCOc3ccc(C)cc3C)cc2)S(C)(=O)=O)cc1Cl 224786577 JADCNJAAXBAVAL-UHFFFAOYSA-N 517.047 4.740 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1Cl 224967426 SNPSWHUEQOKWON-MHZLTWQESA-N 574.118 4.718 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 225075435 FASXLFDAKYCYIH-SANMLTNESA-N 586.552 4.978 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 225109302 QSDNUGARWLLEGT-AREMUKBSSA-N 527.731 4.634 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 225137251 XSLNVIKMCNRZOS-MHZLTWQESA-N 581.735 4.541 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 225177077 UTQUNKVQYJCZLY-MUUNZHRXSA-N 553.700 4.971 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 225501928 DXDZSXISRQDABD-HKBQPEDESA-N 569.727 4.885 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 225562446 NVDUDMCNEOIMHJ-JGCGQSQUSA-N 599.753 4.726 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 225580300 PLAMCHSOYHIACU-QHCPKHFHSA-N 569.699 4.588 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225610512 KVJBIAMVGLTCEN-SANMLTNESA-N 606.572 4.934 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 225700492 WBYGQPHLRNOMNN-FQEVSTJZSA-N 574.541 4.558 0 40 KJAB CCc1nccn1CC(=O)N1CCC(COc2cccc(Cl)c2)(CC(=O)N2CCc3ccccc3C2)CC1 257319688 VTPNTGYZIQQJEF-UHFFFAOYSA-N 535.088 4.762 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 260727186 IPIOYGUVZKEKRR-JOCHJYFZSA-N 572.127 4.794 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 260751189 BKSDVKXOASUIFZ-XMMPIXPASA-N 557.757 4.806 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 260897397 TUXWBOPLVXWUDB-SSEXGKCCSA-N 579.763 4.715 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 260936014 CEEZFKQETUMECU-SSEXGKCCSA-N 591.774 4.859 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 261095878 VAYKRASTHJMJHE-ZBLYBZFDSA-N 574.118 4.800 0 40 KJAB COc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 408574693 DAKIAFJVKGRNCN-GOSISDBHSA-N 511.500 4.636 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@@H](C)CCc2ccccc2)cc1Cl 408613951 WXDSOSHMGAZULX-NRFANRHFSA-N 515.075 4.720 0 40 KJAB CCc1ccccc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408680608 ICKIXCVWWDBNDS-PAYUHHOPSA-N 536.628 4.648 0 40 KJAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cc1 408693246 ZQQDPVIEHRDYPR-UHFFFAOYSA-N 580.103 4.769 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Sc5nnnn5-c5ccccc5)o4)c(=O)n32)cc1OC 408989761 IUWKXBYIPWLPAG-ZHGFHMGHSA-N 677.768 4.611 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408997539 HBCFZJXRWAFQMZ-LMSRTUJASA-N 593.057 4.809 0 40 KJAB COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1Cl 409021897 DWQDEFFHLFQIIX-XOYGFPHKSA-N 522.051 4.597 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(C)=O)c2)c2ccc(C)cc2)cc1Br 409027120 ADFHVEWWYKBKAZ-UHFFFAOYSA-N 531.428 4.803 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)c(N5CCCCC5)o4)c(=O)n32)cc1 409031636 JUTZDGGCDKUDRE-ZMIGGIFCSA-N 614.562 4.931 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)ccc3OCC(C)C)c2=O)=N1 409048870 XNMMJKWYOWGKHH-XPCGLTFESA-N 555.494 4.596 0 40 KJAB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 409063932 NZYMOACBDOKRKV-UHFFFAOYSA-N 562.917 4.642 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409086657 RKCSFEXLXNIKRS-PMPAQKPWSA-N 666.388 4.739 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3OC)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409097620 NKAVATALJCUFGE-XOBACGFXSA-N 679.431 4.654 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409145273 NIBPGZCGDMUVTA-MTDXEUNCSA-N 616.696 4.533 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccc(OCC(=O)N4CCCC4)c(OCC)c3)c2=O)=N1 409158308 KVNMMROMMWXFQT-FABFSAKGSA-N 668.212 4.640 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)OC 409172043 BDTYPJOBJABGHK-GIJQJNRQSA-N 630.844 4.570 0 40 KJAB Cc1ccc(C(C)C)c(OCC(=O)NCc2nnc(SCC(=O)Nc3c(C)cc(I)cc3C)n2C)c1 409174535 NCXDTHYZCLTXFJ-UHFFFAOYSA-N 621.545 4.894 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 409334258 WLDBAFFVFPMQJH-UHFFFAOYSA-N 583.663 4.778 0 40 KJAB COc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(Br)cc2Cl)c1 409388235 VBGYVLFZOAVCBQ-FGZHOGPDSA-N 606.809 4.594 0 40 KJAB Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(Cc3ccc(OCCCN4CCCCC4=O)cc3)C2)c1 585279900 HBIBWRVJEUOUOJ-MUUNZHRXSA-N 501.067 4.836 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)N3CCC[C@H]3c3nnc4ccccn34)c(=O)cc1[C@@H](NC(C)=O)CC2 604405820 WDGILLPBRARBIX-MYKRZTLLSA-N 686.835 4.803 0 40 KJAB biogenic Cc1ccc(N2C[C@H](C(=O)NCCN3CCC4(CCCCCc5ccccc5OCCNC4=O)CC3)CC2=O)cc1Cl 643561566 SESYSSKVZNMEQJ-AREMUKBSSA-N 595.184 4.511 0 40 KJAB CC(=O)N1CC[C@@H]2CC[C@H](CN(C(=O)Cc3csc(C)n3)Cc3ccccc31)N2Cc1ccccc1 643567832 YZJCWUKYJXDGQA-RRPNLBNLSA-N 502.684 4.813 0 40 KJAB Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCC(=O)NCc1cccc3c1C(=O)N([C@H]1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2 1857523942 KVKRYCAWRGWYNN-NSOVKSMOSA-N 783.311 4.584 0 40 KJAB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCCCCC2)cc1 846248 RHYLBMWDHSPNJT-NDEPHWFRSA-N 529.637 4.833 0 40 KJAB CCOC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 901557 CZIOMKAWZRNQFT-SANMLTNESA-N 531.638 4.503 0 40 KJAB COC(=O)c1sc2ncn3nc(-c4cccc(Cn5nc(C)c(Br)c5C)c4)nc3c2c1C 2803039 UEAZVABFWPXSNM-UHFFFAOYSA-N 511.405 4.725 0 40 KJAB COc1ccc(-c2csc(NC(=O)[C@H](CCSC)NS(=O)(=O)c3ccc(Cl)cc3)n2)cc1OC 3417078 WWPMFZHOQXIXNJ-KRWDZBQOSA-N 542.104 4.519 0 40 KJAB Cc1cccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N(Cc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c12 6444061 RSENPNMTIGFHMX-GGXMVOPNSA-N 538.627 4.933 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(I)cc3)c2C)cc1 10368581 XCIWXFMNFLYNTF-UHFFFAOYSA-N 506.365 4.961 0 40 KJAB Cn1/c(=N\C(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)sc2c3ccccc3ccc21 11852854 NXODOMUGGSLXML-ZQHSETAFSA-N 513.644 4.881 0 40 KJAB CC(C)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1 12482004 IMCPDQZUGSRWEL-LXFBAYGMSA-N 531.682 4.682 0 40 KJAB O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1F 12704423 QBNJAOQGYRZXON-DEOSSOPVSA-N 522.581 4.513 0 40 KJAB CC(C)C[C@@H](C(=O)NCc1c(F)cccc1Cl)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 12875599 UXGUFLXOUKXKHV-CUNXSJBXSA-N 510.997 4.727 0 40 KJAB biogenic CCc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C(C)=O)cc1 13028988 HEYAAODYIDKSQI-NDEPHWFRSA-N 511.626 4.886 0 40 KJAB Cc1ccc(SCCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1 13680726 JJXSDNFKSHJWFP-KRWDZBQOSA-N 501.501 4.752 0 40 KJAB Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)cc3)nn12 16363513 YVMANKRNLAQPOB-SNVBAGLBSA-N 507.428 4.749 0 40 KJAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1)c1ccc(Br)cc1 20019116 ZQUZITNACNTXTH-ROUUACIJSA-N 517.445 4.745 0 40 KJAB Cc1cc(C)c2cc([C@H](c3nnnn3C(C)(C)C)N3CCN(c4cc(Cl)ccc4C)CC3)c(=O)[nH]c2c1 20083524 IJINJQSPSGXFKR-RUZDIDTESA-N 520.081 4.760 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)C2CCCCC2)cc1OC 22535700 KTTKXXKQVLTBCJ-NRFANRHFSA-N 502.677 4.830 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)c(Cl)c2)cc1 59852471 VGLVNPJSTOMEFF-LJQANCHMSA-N 528.030 4.610 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 59853258 IADRPXUCVXSWQF-UHFFFAOYSA-N 548.086 4.709 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)S(=O)(=O)c2ccccc2)c1 59887792 NZGCOZIYFHYNQY-UHFFFAOYSA-N 609.726 4.955 0 40 KJAB CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)NCCc1cccc(F)c1 70706537 SDBMNTPOKUOQLK-TVMRRWMBSA-N 552.650 4.667 0 40 KJAB biogenic C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@@H](c1ccccc1OCC(=O)O)CC(=O)O3 79193940 WGDQYZNWTBNEKJ-UWRBCOGOSA-N 522.550 4.778 0 40 KJAB COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)c1 97955788 LQOZLPOWRIIDBC-ZLNRFVROSA-N 509.356 4.517 0 40 KJAB CC[C@@H](NC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 97957019 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592.718 4.590 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2C)c2ccc(F)cc2)cc1 106614385 AEDPTLKQSUCYHC-UHFFFAOYSA-N 554.381 4.581 0 40 KJAB COC(=O)c1cccc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)c1 113625389 JAJBJGHOPYRNHJ-UHFFFAOYSA-N 526.920 4.979 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)Cc4c(Cl)cccc4Cl)C3)cc2)c(OC)c1 150432600 KHCCFYUXIZAOBP-SFHVURJKSA-N 642.583 4.992 0 40 KJAB CCOC(=O)N1CCC(n2c(SCC(=O)Nc3c(C)cc(C)cc3C)nc3ccsc3c2=O)CC1 206595517 ZQFSUIDPFAAZLH-UHFFFAOYSA-N 514.673 4.907 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 222928706 BZTZJDKSAKXSEA-KRWDZBQOSA-N 586.538 4.600 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 223067944 ZJJFIUPIXKKRIY-AREMUKBSSA-N 542.101 4.706 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 223126511 UEJGOYGVGTYWBJ-VWLOTQADSA-N 546.064 4.536 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223208286 DEBDRVDWIAPESD-FCHUYYIVSA-N 586.552 4.976 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1F 223543717 XUAVRLIIYSCTJX-HSZRJFAPSA-N 513.407 4.743 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O 223557992 WMSRHHYYCYYBIS-FQEVSTJZSA-N 546.492 4.621 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 223603811 CANJQBKDKLPZEP-MUUNZHRXSA-N 581.735 4.976 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 223613240 CTVJSZUOHHTZBM-HSZRJFAPSA-N 583.776 4.864 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 223663645 LOWXYDHVYZAPSQ-HHHXNRCGSA-N 565.736 4.923 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 223674905 YBKORRVODOPVFF-AREMUKBSSA-N 523.699 4.638 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223719073 WBHZDSHWILMNQX-QHCPKHFHSA-N 541.636 4.504 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 223742962 GCJAGJDPDHFKBR-RUZDIDTESA-N 537.673 4.543 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 223796710 FEUCNSRWVNXJOU-OAHLLOKOSA-N 568.445 4.722 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 224185956 YDENPLATRFQZDK-AREMUKBSSA-N 542.101 4.787 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224257470 XLJTYSNHHSQTQE-DEOSSOPVSA-N 554.540 4.934 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 224578392 VOJYOMAXCVAFTA-HHHXNRCGSA-N 572.127 4.796 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 224758841 KGWRZAIUSNVPLC-QFIPXVFZSA-N 542.101 4.787 0 40 KJAB COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224758864 XYQOEJONNQKHPV-UHFFFAOYSA-N 525.371 4.954 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 224775080 AFDXMKQAKOKDPI-QGZVFWFLSA-N 558.503 4.765 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 225126572 VNCFPDWHWOWLFO-MHZLTWQESA-N 606.572 4.933 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c1 225154509 VCZFKCMYMUJGSP-QHCPKHFHSA-N 611.736 4.904 0 40 KJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cc2)cc1NS(C)(=O)=O 225485977 GPFLGPCMNKUHAF-CLJLJLNGSA-N 533.679 4.738 0 40 KJAB COc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccc(Cl)cc3)n2)c1 225795067 LIBGUZRBCKYPDG-UHFFFAOYSA-N 557.053 4.644 0 40 KJAB Cc1nn(C)c(C)c1CC(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(=O)N(C)Cc2ccccc2)C1 257210868 BWLWUXGSEIXJOQ-HOFKKMOUSA-N 523.077 4.578 0 40 KJAB COc1ccc([C@H]2CN(Cc3ccccc3)[C@@H]3CCN(C(=O)COc4ccccc4OC)C[C@H]23)cc1OC 257251872 JSPTXXAEQKCRRH-TWJOJJKGSA-N 516.638 4.608 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 260813277 VIPWCZBJPQHINS-OAQYLSRUSA-N 602.153 4.885 0 40 KJAB Cc1ccccc1CN(CC(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 260825780 JZGOKZPYYDBSJB-SSEXGKCCSA-N 604.128 4.950 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 260910173 JXJWDBSQVVCSHA-WJOKGBTCSA-N 637.799 4.567 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 260913415 KQPBJLXKSWKTLX-SSEXGKCCSA-N 591.774 4.859 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 260983009 OIURCHUHZVGRHZ-DHLKQENFSA-N 535.710 4.893 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 261001318 RTBMXTUJOREIAK-RPWUZVMVSA-N 611.761 4.548 0 40 KJAB O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl 408545089 YOBJWXZULNLLQH-UHFFFAOYSA-N 512.850 4.791 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1I 408547669 LCLIDBSXYBPWBG-UHFFFAOYSA-N 592.864 4.863 0 40 KJAB COc1ccc(Cl)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 408596302 SADQHJHKISYFRF-HXUWFJFHSA-N 523.836 4.639 0 40 KJAB COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2ccc(OCC(=O)O)c(Br)c2)C(=O)O)o1 408632159 HRVNPOFXQJYRHF-FRKPEAEDSA-N 541.763 4.842 0 40 KJAB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2)c(C)cc1Br 408665101 UDAWKUAAWDLARQ-UHFFFAOYSA-N 512.198 4.729 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccccc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408752067 FFGOBTIHRYDIHD-GTWFGUSFSA-N 531.033 4.641 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408842080 NVFPAOLZARFWDN-QIPHDZALSA-N 527.351 4.648 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OCc5ccc(F)cc5)c4)c(=O)n32)cc1OCC 408947534 QHSJPTDRZQNNFJ-BDRSBEQYSA-N 588.657 4.534 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408993522 DTDGSIXLEKWBSW-CLNXTWJPSA-N 566.679 4.984 0 40 KJAB COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cc(C(=O)O)ccc5Cl)o4)c(=O)n32)cc1 408995317 MBXJMCVKIJEMFX-ZSJKCPIUSA-N 593.057 4.807 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Cl)cc(Br)c4O)c(=O)n32)cc1 409030094 CHFPDVVSARKNCO-JGZDWKDESA-N 591.911 4.707 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccc(C(=O)O)cc4)cc3Br)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409041585 WIKPSYFVXVOTAG-KDDCWKTLSA-N 795.661 4.797 0 40 KJAB COc1cccc(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 409057693 KQXUNVGWMQAMNE-UHFFFAOYSA-N 523.836 4.941 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409106726 TXWDXDCMEBVHDH-OXYJFDKOSA-N 614.705 4.508 0 40 KJAB O=C(Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2cc(Br)ccc21)NC[C@H]1CCCO1 409129135 QWMXGULBTQGZSD-VCYKRWNGSA-N 540.439 4.940 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)c2ccc(C)cc2)cc1 409132388 XQXGWRVJNLGYIU-UHFFFAOYSA-N 542.679 4.955 0 40 KJAB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)o1 409189741 SEBXHCQGKCEAPM-CRCYZHLCSA-N 607.084 4.895 0 40 KJAB O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N1CCc2ccccc2C1 409206613 YJEQCGCTFWZXMC-UHFFFAOYSA-N 533.875 4.878 0 40 KJAB O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1 409380689 BDEFEDIZORZIKC-PMACEKPBSA-N 520.296 4.607 0 40 KJAB Cc1nccn1CCC(=O)N1CCN(Cc2ccccc2)CCCNc2ccc(Br)cc2C1 643553550 ZOEWDUZSPDFHDL-UHFFFAOYSA-N 510.480 4.691 0 40 KJAB COCC(=O)N1CCCCCCCN(C(=O)c2cccc(-n3cnnc3)c2)Cc2cc(-c3cccnc3)ccc21 643562432 SJCKQVLUCONKEB-UHFFFAOYSA-N 538.652 4.915 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCCO3)cc1 906086 GXMOEHSOTPTOES-HKBQPEDESA-N 569.662 4.825 0 40 KJAB COc1ccc(CCN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)Cc2nnnn2C2CCCC2)cc1OC 926745 LDCPCKXOSRORMK-UHFFFAOYSA-N 516.646 4.509 0 40 KJAB Cc1cccc(C(=O)NN2C(=O)[C@@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c1 2175294 BDWCJDWORMJNDC-JGSRLKPESA-N 566.249 4.545 0 40 KJAB COCCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1cc(Br)c(O)c(OC)c1 2332757 AYWFUCDKKWVGTM-LJQANCHMSA-N 522.779 4.813 0 40 KJAB CC1(C)O[C@@H]2[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H](n3cnc4c(N)ncnc43)[C@@H]2O1 4823719 WEESNKCZWANQSJ-PZWXIZEVSA-N 549.631 4.835 0 40 KJAB COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(COC5=CC=CC[C@@H]5OC)nc4c32)cc1OC 9157988 XNSJZUZCIYFZKA-UQBPGWFLSA-N 514.538 4.508 0 40 KJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)C2=O)cc1 9311670 HQXATXXWLVYWGT-UCQKPKSFSA-N 502.548 4.947 0 40 KJAB CCOC(=O)CSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1ccc(C(F)(F)F)cc1 9390891 FBCRRYXYLBUMDB-UHFFFAOYSA-N 522.593 4.774 0 40 KJAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 10334249 VEJPFIYEQCVITM-UHFFFAOYSA-N 500.020 4.698 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(C)=O)cc1 13032609 NNWAOVQEOXFJEQ-RUZDIDTESA-N 503.628 4.775 0 40 KJAB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)OCC(=O)N(C1CCCCC1)C1CCCCC1 13148273 GVDLBUUXSXCUFT-QHCPKHFHSA-N 504.693 4.584 0 40 KJAB CCOC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 22277844 XJKGQHZWTIPLMU-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NCC5CCC(C(=O)O)CC5)CC[C@]4(C)[C@H]3CC[C@@]21C 35361502 ZYADXQOYYTYVCC-FBTKPHBWSA-N 542.717 4.649 0 40 KJAB biogenic Cc1ccc2c(c1)c1ncn(Cc3ccccc3Cl)c(=O)c1n2CC(=O)Nc1ccc2c(c1)OCO2 35400144 ZSUCMTHLTRHWLX-UHFFFAOYSA-N 500.942 4.729 0 40 KJAB COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NC[C@@H]5CCCO5)cc4)C(=O)N32)c1 70705142 LUPIJGJTRGHNFU-HTZJHERLSA-N 550.615 4.568 0 40 KJAB biogenic Cc1n[nH]c(O)c1[C@@H](c1cc(Br)cc(Br)c1OC(C)C)c1c(O)n[nH]c1C 96193554 IBNVTZBTSDDHKH-UHFFFAOYSA-N 500.191 4.653 0 40 KJAB CCOC(=O)c1c(NC(=O)CN2CCN(Cc3cc(OC)ccc3OC)CC2)sc(-c2ccccc2)c1C 97981569 VZQNEKZXAJRSNB-UHFFFAOYSA-N 537.682 4.674 0 40 KJAB 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COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)S(=O)(=O)c1ccc(C)cc1 216126075 ZEBKVTNPWVKXII-UHFFFAOYSA-N 528.030 4.618 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 222571786 SDONEAAPNWYZEY-UFHPHHKVSA-N 595.762 4.664 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 222586930 UUOHESPOTFXXJY-FUFSCUOVSA-N 565.736 4.655 0 40 KJAB COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc(OC)c1OC 222728069 LBWLGHKBWQSOAC-UHFFFAOYSA-N 568.570 4.569 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 222916997 OTLZCTSZMAOXMZ-HNNXBMFYSA-N 548.920 4.745 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 222954636 NTUISBQLKJWNGV-QFIPXVFZSA-N 572.127 4.878 0 40 KJAB Cc1ccc(CNC(=O)[C@@H](Cc2ccccc2)N(Cc2ccc(F)cc2)C(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 223155130 OGODYQOXUAPKRN-JGCGQSQUSA-N 601.744 4.852 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 223369628 KSOXHWQJSOPOHM-MRXNPFEDSA-N 548.920 4.601 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 223391994 OXERLMIXTWXUKF-IBGZPJMESA-N 542.529 4.710 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 223428039 NUJLZPKRNFKKLL-AREMUKBSSA-N 591.652 4.771 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCCc1ccccc1)c1ccccc1)Cc1ccccc1 223442869 ZFOWTWGNNBLPEG-JGCGQSQUSA-N 587.717 4.716 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 223481314 NEHMOLRFPDHQNJ-XMMPIXPASA-N 611.761 4.550 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 223739808 MUQVCPSHJIGUMK-SANMLTNESA-N 515.720 4.573 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(OCC)cc1)S(C)(=O)=O 223741967 GNHUQMPZGDXGDK-HHHXNRCGSA-N 545.746 4.664 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 223789185 IZUJDQXMMWCJDD-VWLOTQADSA-N 552.137 4.619 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 223995562 IZFSXVOKEIYCHY-HHHXNRCGSA-N 556.128 4.581 0 40 KJAB CN(CCCC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 224418840 GUSIHUDWFRNKFT-NDEPHWFRSA-N 567.727 4.781 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Br)cc1 224573437 PZBBHAIXSHTJHL-NDEPHWFRSA-N 646.604 4.995 0 40 KJAB CS(=O)(=O)N(CCCC(=O)NCc1ccccc1CN1CCCCC1)c1ccc(Cl)c(Cl)c1 224847660 MJQBFEYUXUOYPK-UHFFFAOYSA-N 512.503 4.842 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 224856837 LCWJRCIERWYZQU-OAQYLSRUSA-N 562.947 4.992 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 225017712 WOUJECSEKZMZKW-NDEPHWFRSA-N 614.606 4.942 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3I)cc2)c(OC)c1 225018771 CDGXQZCVWYSPNA-UHFFFAOYSA-N 552.390 4.670 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 225179353 TYGKGZUAVMMYAP-AREMUKBSSA-N 577.191 4.826 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 225235554 QYBXHBUKQDEBON-JOCHJYFZSA-N 616.578 4.987 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 225424858 YJFATZNDGJXIBO-JWQCQUIFSA-N 535.710 4.565 0 40 KJAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccncc3)c2C)ccc1NS(C)(=O)=O 225447150 SPKYJWDFYJZION-KAYWLYCHSA-N 546.722 4.800 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 225448722 HYFZSAZXSQCOOJ-IBGZPJMESA-N 637.394 4.879 0 40 KJAB S=C(Nc1nc(N2CCN(c3ccccc3)CC2)cc(N2Cc3ccccc3C2)n1)NC1CCCCC1 226008825 RWRVEIHGZULLKX-UHFFFAOYSA-N 513.715 4.943 0 40 KJAB O=C(Cc1ccc(C[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)cc1)NS(=O)(=O)c1cccc(C(F)(F)F)c1 257211385 BYQRDJYRUHVKSR-DEOSSOPVSA-N 590.620 4.581 0 40 KJAB Cc1ccc(F)c(NC(=O)CN2CCC3(CC2)CN(S(=O)(=O)c2cccc(Cl)c2)C(C)(C)C3)c1 257249329 JHSRSNOEFXHQIN-UHFFFAOYSA-N 508.059 4.681 0 40 KJAB Cc1ccccc1CN(C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1)[C@H](C)C(=O)NC1CCCCC1 260807388 RFHVPZJNOBSMJE-HSZRJFAPSA-N 535.710 4.635 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c2ccccc2OC)cc1 260826461 BDHJVVTUZUFSDP-HXUWFJFHSA-N 508.640 4.655 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@H](CC)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 260875481 GEFZOOADWGCMHP-MUUNZHRXSA-N 595.762 4.869 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 260945893 QOKSACRKFIWBTJ-HSZRJFAPSA-N 629.751 4.626 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 260959687 GZUQVQVBZBQVMF-WJOKGBTCSA-N 591.774 4.859 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 261005645 SNHLZDVTBXVOOI-YADHBBJMSA-N 572.127 4.876 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1C 261007625 GEYGNIUQRVTAEG-MUUNZHRXSA-N 549.737 4.624 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1 261015093 VAHMZRAQEKCSEL-HSZRJFAPSA-N 551.709 4.885 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 261037330 KFGNUJHDMFGHLP-HXUWFJFHSA-N 522.111 4.527 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 261072903 PXCVBUQEEUMWHX-VXKWHMMOSA-N 572.127 4.876 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 261121967 ZIEKZEJANMZMNT-JOCHJYFZSA-N 553.700 4.915 0 40 KJAB CC[C@@H](C)NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)c(C)c2)cc2cc(Br)ccc21 408573526 BRGRWGYMXBFBHC-CYBMUJFWSA-N 550.251 4.712 0 40 KJAB O=C(NCc1ccc(Cl)cc1)C(=O)Nn1c(C(=O)Nc2ccccc2F)cc2cc(Br)ccc21 408608250 OVNDNFRAUFACSU-UHFFFAOYSA-N 543.780 4.835 0 40 KJAB CC(=O)Nc1cccc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408621566 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225422227 RWADXASCANWPCJ-BJKOFHAPSA-N 511.673 4.555 0 40 KJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1Cc1ccncc1 225523634 MKNVQTNXVSXPIQ-IZLXSDGUSA-N 510.667 4.945 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 225543284 FXBAISRPTXHCON-BKMJKUGQSA-N 529.747 4.781 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 225683893 PJIRWZCPOCBPNB-JOCHJYFZSA-N 542.101 4.520 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NCC(C)C)c2ccccc2OC)cc1 225702026 QABUYJSKSPMTFM-QFIPXVFZSA-N 646.604 4.851 0 40 KJAB CSc1ccc(S(=O)(=O)Nc2nnc(SCC(C)C)s2)cc1C(=O)N1CCCCCC1 225840632 WZECQYTXSJZVJZ-UHFFFAOYSA-N 500.737 4.825 0 40 KJAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3Cl)c2)n1 226080925 UERQHSYTGSYXRN-UHFFFAOYSA-N 559.431 4.870 0 40 KJAB Cc1cc(C)cc(N(CCCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 260815153 VONHGVBNBKFZBI-JOCHJYFZSA-N 548.149 4.979 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 260884715 JLUUFBQOKKYKDI-RPWUZVMVSA-N 581.735 4.540 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c1ccccc1 260884859 JWKWXUZLTXGZOO-DNQXCXABSA-N 535.710 4.776 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 260913924 FZUZOOSHDDGXOT-MBSDFSHPSA-N 542.529 4.790 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1OC 260943548 SKKQVKZWZHQFGP-GDLZYMKVSA-N 607.773 4.559 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 261010310 UBNGRBRNURKDFX-CUBQBAPOSA-N 655.814 4.947 0 40 KJAB CCOc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NCc2ccc(C)cc2)cc1 408578460 VEPVOKYOBWSFGN-UHFFFAOYSA-N 549.425 4.750 0 40 KJAB Cc1cccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N[C@@H](C)c4ccccc4)cc3Cl)CC2)c1C 408589492 FVPFJJANFLXUDS-QFIPXVFZSA-N 542.101 4.724 0 40 KJAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1Cl 408627261 YXCBOLAUOKINOI-FQEVSTJZSA-N 513.059 4.603 0 40 KJAB CC(=O)Nc1cccc(-c2nc(SCC(=O)Nc3cc(Br)ccc3Br)n[nH]2)c1 408638307 RADLHMRVVUZCFR-UHFFFAOYSA-N 525.226 4.686 0 40 KJAB C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 408640782 ITZZJSWEMIFZKY-XOLLAPKWSA-N 509.389 4.675 0 40 KJAB COc1ccc(C(=O)[C@H](C)OC(=O)CCN2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408645739 AOIJVOKPTHPSJW-BSDFTZSDSA-N 578.448 4.793 0 40 KJAB Cc1cc(C)cc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c1 408686083 RZMUCLLNBSJONY-NLNAHKHUSA-N 536.628 4.702 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3OC(C)C)c(=O)n2[C@H]1c1ccc(OC)cc1 408986090 LPMQFVGANXVZCZ-AYTQJLEDSA-N 554.668 4.731 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 408996691 MOHRLKQBJRHHTQ-ZSJKCPIUSA-N 637.508 4.836 0 40 KJAB COc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 409004894 FYTDYZZFTCTVKQ-UHFFFAOYSA-N 509.411 4.840 0 40 KJAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3cccc(C(=O)O)c3)c(OC)c2)C1=O 409010792 LITOEMHOXAQFTM-OTGIAGGSSA-N 611.410 4.565 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(C)C)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409088261 KPTAWVLZAFXDAZ-SJJVXOANSA-N 538.113 4.792 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC(C)C)cc4)c(=O)n32)cc1 409091807 RXWADCAXNLIPOC-LAUBZIAYSA-N 553.684 4.917 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1 409167767 MYCRLAJORUCIRT-UHFFFAOYSA-N 565.673 4.882 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 409327994 OXTRWUUYEDIFBV-UHFFFAOYSA-N 604.921 4.721 0 40 KJAB O=C(CSc1nc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2s1)NC12CC3CC(CC(C3)C1)C2 409333520 HSPHADZOQAYZPY-XQKWYXFRSA-N 519.692 4.785 0 40 KJAB Cc1csc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C(C)C)n2C)n1 409340836 BKWRDQSJFAUJCZ-MRXNPFEDSA-N 513.476 4.745 0 40 KJAB CCOc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(Cl)cc3Cl)n2C)cc1 409356088 FHTVQMCGQNMHPF-ZDUSSCGKSA-N 508.431 4.742 0 40 KJAB Cc1ccc(NC(=O)COc2cccc(/C=C3\NC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)c2)cc1C 409381469 UMBKSQWBQPWNMQ-OYKKKHCWSA-N 577.435 4.615 0 40 KJAB COCC(=O)N1CCCN(C(C)C)CCN(C(=O)C2CN(Cc3ccc(Cl)cc3)C2)Cc2ccc(Cl)cc21 643566718 XPEVYWPUKDMPAL-UHFFFAOYSA-N 561.554 4.548 0 40 KJAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)NCC[C@H]3CCCCN3C3CCCC3)ccc21 643583733 JFNTZXDXRJCQNO-HHHXNRCGSA-N 512.739 4.637 0 40 KJAB O=C1C[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)c2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 716593 MWDKVVFSWBRHHH-HXUWFJFHSA-N 541.785 4.806 0 40 KJAB COc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)S(=O)(=O)c3c(C)cc(C)cc3C)cc2c1 918196 XPCAKKUOOVGAMI-UHFFFAOYSA-N 520.607 4.582 0 40 KJAB O=C1CN(C(=O)c2cc3ccccc3oc2=O)[C@@H](c2ccc(F)cc2)c2cc(Br)ccc2N1 2724448 ADPVDJLTNPUUJJ-QHCPKHFHSA-N 507.315 4.879 0 40 KJAB aggregator CCc1ccc(NC(=O)CSc2nc3ccc(N4CCOCC4)cc3c(=O)n2CCc2ccccc2)cc1 2976304 JEJMQAAUDISPLB-UHFFFAOYSA-N 528.678 4.769 0 40 KJAB N=C(NC(=O)OCc1ccccc1)N(CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C(=O)OCc1ccccc1 4535627 YSGAXJCIEJGVFV-RUZDIDTESA-N 576.606 4.646 0 40 KJAB COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N(Cc1ccc(Cl)cc1)Cc1ccco1 6322109 ZGZHLFRKLCTLPG-SANMLTNESA-N 533.032 4.816 0 40 KJAB Cc1cccc(CCN(Cc2cc3ccc(C)cc3[nH]c2=O)S(=O)(=O)c2c(C)ccc3nsnc23)c1 6442786 FALDNQGYUAPVEI-UHFFFAOYSA-N 518.664 4.892 0 40 KJAB CCC[C@@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(=O)NC2CCCCC2)c1N)c1ccc(OC)cc1 6501070 UAUVKBJLBPTJHM-QFIPXVFZSA-N 541.718 4.671 0 40 KJAB COc1cc(CCN2C(=O)c3cccc4cccc(c34)C2=O)c(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1OC 8433156 IUVWRIKVFFFLKN-DHZHZOJOSA-N 625.747 4.715 0 40 KJAB COc1cccc([C@@H]2CN3C(=O)CN(CCc4ccccc4F)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)c1OC 8789630 SCMGGHDVICKFSP-UGDMGKLASA-N 527.596 4.598 0 40 KJAB biogenic CN(Cc1c(F)cccc1Cl)C(=O)c1cc(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)c[nH]1 12577917 FQAOOKJUEBNYIB-UHFFFAOYSA-N 502.370 4.693 0 40 KJAB Clc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(c3nc4ccccc4s3)CC2)cc1 13496420 WRPYWZVSKQSDIV-DEOSSOPVSA-N 502.047 4.896 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(Br)cc1OC 13881023 OJORSZKQEBHAGE-VXLYETTFSA-N 505.390 4.840 0 40 KJAB CSCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)c1ccc2c(c1)OCCO2 16757077 LLYDBUBTEPXDTA-JOCHJYFZSA-N 501.608 4.915 0 40 KJAB CC[C@H](NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 22304816 YCSIURWLLJJIDD-QHCPKHFHSA-N 517.445 4.921 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)S(=O)(=O)c2ccccc2)cc1 59886849 OFHGDBPRTAFGRP-UHFFFAOYSA-N 579.700 4.947 0 40 KJAB CO[C@H]1c2cc(O)cc(c2O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](OC(N)=O)/C(C)=C\[C@@H](C)[C@@H](OC)[C@H](OC)C[C@@H]1C 66138794 SVSFCSOFEPJFSF-KNZTVYBZSA-N 560.688 4.979 0 40 KJAB COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H]3c4ccccc4C(=O)N23)cc1 70704427 OFQWMESWISLLSP-PHDGFQFKSA-N 584.676 4.690 0 40 KJAB biogenic CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC 97954811 HWJJTOQXICMKRM-VJGNERBWSA-N 502.567 4.934 0 40 KJAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(=O)n(Cc5ccc(Cl)cc5)c(=S)[nH]c4c3)CC2)cc1 98049318 KHNLGCMXLXOLDN-UHFFFAOYSA-N 533.053 4.926 0 40 KJAB CCn1c2ccccc2c2cc([C@H](C(=O)NC[C@@H]3CCCO3)N(C(=O)Cn3nnc4ccccc43)C3CC3)ccc21 100336716 QZUWEUULKSKYSY-GTYOFVGBSA-N 550.663 4.587 0 40 KJAB CCOc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCc1ccccc1)c1cccc(OC)c1 100363045 XZPHGYCBYKNKSP-WJOKGBTCSA-N 549.631 4.930 0 40 KJAB Cc1ccc(C)c(N2CCN(CCCNC(=O)CCc3nnc4n(Cc5ccccc5Cl)c(=O)c5ccccc5n34)CC2)c1 101051781 QRVXZTXLHTVJGM-UHFFFAOYSA-N 612.178 4.624 0 40 KJAB CCN(CCCNC(=O)CCc1nnc2n(Cc3ccc(C)cc3)c(=O)c3ccccc3n12)c1cccc(C)c1 101531194 VYCLTXCLGNRFTO-UHFFFAOYSA-N 536.680 4.675 0 40 KJAB CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)sc2c1CC[C@H](C)C2 103090919 WWDLJQJWFYKTHE-ZWKOTPCHSA-N 628.725 4.806 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccc(C)cc2C)cc1 108881792 MWAQSUZRKXPRKC-UHFFFAOYSA-N 555.722 4.620 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2Cl)c2ccc(C)cc2)cc1Br 113933994 KXAZVEPBFQWISD-UHFFFAOYSA-N 537.863 4.931 0 40 KJAB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1 165429278 SYNTVGXAQKYSNM-XKZIYDEJSA-N 506.967 4.786 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 222488053 CIZHECMSLHGUPK-XMMPIXPASA-N 552.137 4.535 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCNc3ccnc4cc(Cl)ccc34)C2)c(C)c1 222566709 RTNNNBNLLNUXOV-OAQYLSRUSA-N 529.106 4.833 0 40 KJAB CCOC(=O)C1(c2ccc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccc(OC)c(Cl)c4)cc3)cc2)CC1 222733814 BQTPGFIJZGNCOR-UHFFFAOYSA-N 559.040 4.762 0 40 KJAB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 222743406 VYZRFAOHUXCMBD-IBGZPJMESA-N 578.518 4.669 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)c2ccccc2)cc1 222839836 GBEBFLUWUWEPDE-NRFANRHFSA-N 572.127 4.876 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](CC)C(=O)NC)S(=O)(=O)c2ccc(SC)cc2)cc1 222987237 OZHVEXCWKGBAOK-NDEPHWFRSA-N 583.776 4.864 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1 223233967 RSMHTAFHFYZVKR-MGBGTMOVSA-N 613.780 4.883 0 40 KJAB CC(C)Sc1nnc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3cc(C(C)(C)C)ccc3O2)s1 223239707 DDQITIRKDFIDEW-HXUWFJFHSA-N 532.713 4.931 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 223449256 RCHLILXMLUVMSH-MRXNPFEDSA-N 578.946 4.755 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 223585795 FUCDCSCUBYZAAD-MHZLTWQESA-N 600.579 4.626 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c1 223766036 XXIKXUYUKBRYNZ-VWLOTQADSA-N 577.747 4.983 0 40 KJAB CC(C)c1ccccc1OCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 223792184 MMHHXAKYNXEKLD-RUZDIDTESA-N 515.031 4.615 0 40 KJAB 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CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 225045941 OUTGTKBCOLVRNR-HHHXNRCGSA-N 527.731 4.634 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 225100778 ITQVISNFQBDVNN-DNQXCXABSA-N 551.709 4.531 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 225138860 UICYVLZKNKBMGD-RUZDIDTESA-N 548.149 4.979 0 40 KJAB CC(C)n1c(=O)sc2cc(NC(=O)[C@@H]3CN(S(=O)(=O)c4ccc(Cl)cc4)c4ccccc4O3)ccc21 225156072 DSSQYYGLXICEEP-QFIPXVFZSA-N 544.054 4.892 0 40 KJAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C[C@@H]2CCCO2)cc1OC 225182601 SDGMCILSCDLXOI-YZYNAAERSA-N 505.644 4.596 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 225184037 MTMJVHJKLRXNHY-SFHVURJKSA-N 584.964 4.735 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 225228075 CSMLTQRJHJOKKI-QFIPXVFZSA-N 580.589 4.946 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 225297110 NXDSPTCNLPDRGY-GDLZYMKVSA-N 549.737 4.626 0 40 KJAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccncc3)c2C)ccc1NS(C)(=O)=O 225447178 SPKYJWDFYJZION-SXOMAYOGSA-N 546.722 4.800 0 40 KJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1Cc1ccncc1 225523700 MKNVQTNXVSXPIQ-NSOVKSMOSA-N 510.667 4.945 0 40 KJAB COC(=O)c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1 225540228 UETOYSWUIULUDU-RRPNLBNLSA-N 525.634 4.660 0 40 KJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 225750767 IUKFJRDIEXUFLC-OAQYLSRUSA-N 510.637 4.701 0 40 KJAB CCCCn1cc(S(=O)(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N3CCCCC3)C2)c(C)n1 257210138 BTIJDHCWWWUDQF-URXFXBBRSA-N 537.126 4.506 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 260754950 CCCJPDAWYFUGQC-MUUNZHRXSA-N 557.757 4.806 0 40 KJAB 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CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 408552674 UMWVZBAXUGZQPU-LPYMAVHISA-N 588.480 4.524 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)c2ccc(C)cc2)cc1 408607401 LYEPDUHDIZSABH-UHFFFAOYSA-N 528.652 4.565 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(F)cc2)sc2c1CCC2 408629869 JLDDXPXBPVHCSJ-UHFFFAOYSA-N 546.642 4.785 0 40 KJAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCC(=O)c1ccc(Br)cc1 408661545 QVGOJDJWZARHFL-OJKWPBSESA-N 599.264 4.768 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 408678895 JJVHPOBPIZXEOX-UHFFFAOYSA-N 599.628 4.826 0 40 KJAB O=C(NCCSCc1cccc(Cl)c1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 408679784 LJSRAZQGXHBARF-UHFFFAOYSA-N 501.501 4.585 0 40 KJAB COc1cccc(NC(=O)COC(=O)CCCCCN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1 408685776 RJXVXFJMTJJAMV-UDPYREPESA-N 552.627 4.630 0 40 KJAB CCOC(=O)COc1c(Br)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1OC(C)C)C(C(=O)OCC)=C(C)N=2 408945010 WHVXOEYBWFPSOY-XQAWFANUSA-N 678.001 4.943 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(OC)c(I)c3)c2=O)=N1 409032303 CJZOFYQOMOBOQM-LYRGBEMXSA-N 697.389 4.963 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3O)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409056764 IHDBDOMQILXGHD-KHVWPYCOSA-N 734.204 4.642 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccccc1OC 409105612 NJGMWCGWQYNHGX-NTWBUQQASA-N 605.558 4.665 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C3\C(=O)Nc4ccc(C)cc43)c2=O)=N1 409110237 ACIBOIFPYIAYHG-IECPXTFPSA-N 548.668 4.628 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C 409145765 PNXOBIWYZBSPFY-VEILYXNESA-N 616.696 4.533 0 40 KJAB CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccc(I)cc3C(C)C)n2C)cc1 409155727 MOTPFIKGNYVDIQ-KRWDZBQOSA-N 621.545 4.920 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc1OC 409157004 UJWSPLUYUFWJFZ-ODLFYWEKSA-N 577.453 4.691 0 40 KJAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(F)cc3)c(I)c2)C1=O 409225821 LQFWIRDOKUNXIH-FYJGNVAPSA-N 601.372 4.549 0 40 KJAB COc1ccccc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccc(Cl)c(Cl)c2)C(C)C)n1C 409353259 ZPHSYQWEASYWQC-HXUWFJFHSA-N 522.458 4.988 0 40 KJAB Cn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1nc2ccccc2s1 409364932 WNSMOKRLQCRSHH-UHFFFAOYSA-N 507.428 4.644 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3cc(F)ccc3F)CCO2)C1=O 643555626 CRODPGBLNKFNGQ-MUUNZHRXSA-N 500.586 4.610 0 40 KJAB CN(CCC[C@H]1C(=O)N(C)CCCCN(C(=O)OC(C)(C)C)CCCOc2ccccc2C(=O)N1C)C(=O)c1ccc2c(c1)OCO2 643560935 NQEBSIQWXUHXJW-MHZLTWQESA-N 652.789 4.667 0 40 KJAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c(=O)n(-c2ccccc2)n1C 3253254 ZPLSOJNQCNHGJU-QGZVFWFLSA-N 539.514 4.826 0 40 KJAB Cc1cc2oc(=O)cc(COC(=O)CCNS(=O)(=O)c3c(Cl)cccc3Cl)c2cc1C(C)C 3376289 RDERBTWMFSTXAN-UHFFFAOYSA-N 512.411 4.943 0 40 KJAB COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2cccc(C(F)(F)F)c2)cc1OC 3632596 NXYNEIHNBCIFIO-UHFFFAOYSA-N 597.619 4.915 0 40 KJAB CCN(CC)c1ccc2cc(C(=O)Nc3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)c(=O)oc2c1 6078546 TVUQQRFUKFVBGA-UHFFFAOYSA-N 511.644 4.845 0 40 KJAB COc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCN(c4cc(Cl)ccc4C)CC3)c(=O)[nH]c2c1 6280624 DRGTVWCJSAIBCB-SANMLTNESA-N 534.064 4.512 0 40 KJAB CC(=O)c1ccc(NC(=O)N[C@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5ccc(-c6ccccc6)cc5)n4)CO[C@H]23)cc1 8299964 ANDJZPWPTKORGG-QUAHOIDUSA-N 535.604 4.782 0 40 KJAB biogenic,in-vitro CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(Cc3ccccc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 8789456 ZQUDVHFNUVMNOS-IPBJYNAHSA-N 509.606 4.807 0 40 KJAB biogenic COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccc(C(C)C)cc4)cc3)CC2)c1 8903465 ZNIXGXNYDJJXRA-UHFFFAOYSA-N 517.626 4.807 0 40 KJAB Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4cc(C(F)(F)F)ccc4Cl)n3N)[nH]n2)cc1 9541325 OCOFITXWDXWKON-UHFFFAOYSA-N 507.929 4.760 0 40 KJAB Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 9845571 AQMHAQZADRRKLA-UHFFFAOYSA-N 505.941 4.898 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 13494859 XPVMHRXQXGGDEF-BDYUSTAISA-N 516.646 4.554 0 40 KJAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OCc2ccccc2F)c(OC)c1 17086297 OIAQQDJFQPKLTI-AREMUKBSSA-N 515.545 4.941 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccc(C)cc2)cc1OC 19856064 UKNHHUOCQIRCGK-UHFFFAOYSA-N 508.518 4.865 0 40 KJAB Cc1cc(C)cc(Oc2coc3cc(OC[C@@H](O)CN4CCN(Cc5ccccc5)CC4)ccc3c2=O)c1 19912302 UWQWNFXKMIUMEX-VWLOTQADSA-N 514.622 4.760 0 40 KJAB CCOc1ccc(CN(C[C@@H]2CCCO2)[C@H](c2cc3cc(C)ccc3[nH]c2=O)c2nnnn2C(C)(C)C)cc1 20082293 SSCZDHSUUMQWQB-RPLLCQBOSA-N 530.673 4.747 0 40 KJAB COc1ccc([C@H](C)NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 20489470 LIBLQSCFVZRMBN-SFHVURJKSA-N 503.020 4.738 0 40 KJAB Cc1cccc(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)ccc2Cl)c1C 59671426 WISJNMHSWFNFCM-HKUYNNGSSA-N 532.009 4.689 0 40 KJAB CC(C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccccc1Cl 70700703 AXOGBZIZMIBXOZ-NSVAZKTRSA-N 541.051 4.748 0 40 KJAB biogenic O=C(N/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)N1CCOCC1)c1ccccc1 97947569 BXFAWIBQFMAOFJ-XHPQRKPJSA-N 557.448 4.932 0 40 KJAB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N2CCN(C(=O)/C(=C\c3ccc(OC)cc3)NC(=O)c3ccccc3)CC2)cc1 97961943 XYKYMJPRIXSTGV-BCEWYCLDSA-N 644.728 4.617 0 40 KJAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4)c(C(=O)c4ccccc4)s3)cc2)CC1 97985292 OKKKDFJGYGPUFH-UHFFFAOYSA-N 604.710 4.756 0 40 KJAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Br)c(Br)s3)cc2)c1C 98048379 QOENIOSTQPMPIM-UHFFFAOYSA-N 535.239 4.931 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(C)C)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 100250972 DUAJUXKQMMWHLU-FUFNRSNVSA-N 564.704 4.629 0 40 KJAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)c1 101099031 QGGHOGJQZWHCFH-FCEKVYKBSA-N 540.597 4.814 0 40 KJAB Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1 103075608 YWURANJBBSACIH-UHFFFAOYSA-N 555.052 4.850 0 40 KJAB CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)ccc1OC(C)=O 104655724 ZXORURXBWDPRLI-UNDLXJOSSA-N 552.652 4.651 0 40 KJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)ccc2Cl)c1 110371151 FYMLUZLCOPASDG-UHFFFAOYSA-N 563.082 4.959 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 150389485 DCWHWYBWNYPUPW-GRXWAMFVSA-N 667.534 4.625 0 40 KJAB COc1ccc([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC 216073423 HQQNZWDVRGFWNQ-IIBYNOLFSA-N 537.465 4.778 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 222506051 IROOCOBRMLVFRE-UFHPHHKVSA-N 565.736 4.921 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 222559310 OWEHUDRBBAASOA-QFIPXVFZSA-N 542.101 4.624 0 40 KJAB COc1ccc(N(CC(=O)NCc2ccc3ccccc3c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 222757635 HNYMXSPQPZYLLN-UHFFFAOYSA-N 504.608 4.677 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl 222768936 NJJMASMPCVFPHZ-FQEVSTJZSA-N 552.137 4.535 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 222877451 DROLWSAURQANHN-OAQYLSRUSA-N 578.946 4.753 0 40 KJAB Cc1ccccc1N(CC(=O)NCC1(c2ccccc2)CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 223180331 WEHYOKYWESHVAF-UHFFFAOYSA-N 513.059 4.708 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 223205261 GCGHXNXGCLNYLR-AREMUKBSSA-N 576.546 4.844 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 223565024 MAOJGBHNVXFARW-SANMLTNESA-N 620.997 4.953 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 223654087 LPRXJTQCUGOWNH-AREMUKBSSA-N 592.545 4.544 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223702004 MCVAXZIVFUHYAS-PWUYWRBVSA-N 625.763 4.698 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 223738724 NDQOMUMCGFOLJL-QFIPXVFZSA-N 572.127 4.714 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 223902135 MQYIBEKGHRBFHX-ZDUSSCGKSA-N 555.311 4.620 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 224112624 ZSJHZEJSWORIHF-MUUNZHRXSA-N 551.709 4.533 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 224151122 YBBBMKMZKVABSO-FQEVSTJZSA-N 566.562 4.636 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 224213119 OBFHAHGTXRYBOA-MUUNZHRXSA-N 570.155 4.889 0 40 KJAB O=C(Nc1ccc(Cc2ccncc2)cc1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 224235032 REOMEWOTLINVMG-SANMLTNESA-N 520.010 4.921 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 224380941 NEBGNGKRRJIOBC-LJQANCHMSA-N 564.535 4.957 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224623637 MVPWWUHGNSRXFL-LJAQVGFWSA-N 623.747 4.701 0 40 KJAB COc1cccc(CN(C(=O)CCCN(C)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224637584 LLXUTKGIPCLTBE-LJAQVGFWSA-N 579.763 4.651 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 224722198 TVRWQJPGXLNDTD-DEOSSOPVSA-N 535.710 4.696 0 40 KJAB COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224780502 SHOKAAORNBHXEW-UHFFFAOYSA-N 521.408 4.978 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 224800249 JXZJLMLOQQTLME-IBGZPJMESA-N 528.074 4.726 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 224859601 NREOFJCZJCHGGZ-QHCPKHFHSA-N 556.556 4.956 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 224911253 OJWABLYLQMMRHY-AREMUKBSSA-N 576.546 4.924 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 224913083 GGXOSQZNUFAWFK-SFHVURJKSA-N 570.539 4.634 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 224961949 UNXDTSWZGKNPIL-RUZDIDTESA-N 535.710 4.751 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 225088911 UTXVZHFGJBMALP-HXUWFJFHSA-N 548.920 4.746 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225156913 JANJKUNDVDIMBW-LJQANCHMSA-N 572.555 4.882 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(=O)O)c2)cc1Cl 225250971 CSBAYEZOGYVQAP-FTJBHMTQSA-N 562.051 4.986 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)O)cc2)cc1Cl 225251131 VIEUHBZWQNIADZ-FTJBHMTQSA-N 562.051 4.986 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 225321821 MBLLITDYRZBYLX-NDEPHWFRSA-N 573.756 4.506 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 225333196 FMQYMFMXRMOTSB-WJOKGBTCSA-N 592.806 4.781 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 225385899 ABNYVTYALRZSQX-IBGZPJMESA-N 548.492 4.660 0 40 KJAB COC(=O)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)cc1 225603802 NKFSQNRXIUEDLS-SXOMAYOGSA-N 543.624 4.799 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc(Br)cc1 225612492 COZYQLJCMBRNTE-QHCPKHFHSA-N 515.835 4.867 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC)S(C)(=O)=O)cc1 225616993 QBRVKRTXGAYPCO-NDEPHWFRSA-N 570.155 4.835 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)c2ccccc2C)cc1 225680107 LFUZVBKVYLLYMA-DEOSSOPVSA-N 553.700 4.827 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)Oc3ccc(Cl)cc32)cc1 225694957 IDYRVSQKPGFCJQ-QFIPXVFZSA-N 540.947 4.640 0 40 KJAB Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc1 225792371 WMMXTLQCJLZUFP-QGZVFWFLSA-N 503.045 4.819 0 40 KJAB COc1cccc(S(=O)(=O)N2CCC[C@@](COc3ccccc3)(CC(=O)N(C)Cc3ccccc3)C2)c1 257311926 ULQMRCWTTGQOLN-GDLZYMKVSA-N 522.667 4.594 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 260864369 AGBDXANWEZSSFF-RPWUZVMVSA-N 581.735 4.540 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O 260938745 ZDJPAIASFKKLMZ-MRXNPFEDSA-N 578.946 4.611 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 260952356 KBSKXOAHQWXZLN-QPPBQGQZSA-N 536.138 4.917 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 261054664 MRPNFBSEAGYZGU-CUNXSJBXSA-N 586.154 4.669 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 261062832 ODXQERLGICCTPE-DWACAAAGSA-N 616.180 4.678 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1I 408545298 KAYUGOVWAZXKPC-UHFFFAOYSA-N 572.446 4.518 0 40 KJAB CC(=O)Nc1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1 408585512 YUZCHWSTXUVCSN-UHFFFAOYSA-N 508.383 4.770 0 40 KJAB COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3c(C)cccc3C)cc2)cc1 408644691 HYSLBIULFAUQAY-UHFFFAOYSA-N 504.539 4.783 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Oc4ccccc4OC)cc3)C2)cc1 408665457 RQXLBJAYIWVNRK-QFIPXVFZSA-N 560.603 4.979 0 40 KJAB COc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1 408678660 FXHPYMJSUXTBJS-UDPYREPESA-N 558.590 4.887 0 40 KJAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@H](c6ccccc6)[C@@H](C5)[C@H]4C3=O)cc2)cc1 408688056 PUSYVPRXJXJXOL-PCNCMIPDSA-N 508.574 4.720 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1C(=O)N1CCCC1 408693510 YCUDXDKSSCZBRK-UHFFFAOYSA-N 584.503 4.840 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc(C(=O)OCC)cc4)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408805276 FSNAJEDBEMTASG-HDFSHUSISA-N 600.668 4.693 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C(F)(F)F)ccc3OC)C2=O)c(Br)cc1O 408866374 FHDFETNISGWVRG-FMQZQXMHSA-N 561.332 4.866 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cccs2)n2c(s/c(=C\c3ccc(OC(C)C)c(OCC)c3)c2=O)=N1 408923675 HCIPDCVLADNPRD-QKSFETHESA-N 540.707 4.826 0 40 KJAB Cc1c(NC(=O)CSc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c(=O)n(-c2ccccc2)n1C 408978656 AFRNMZBSZYJGKO-PMACEKPBSA-N 561.689 4.505 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3c(OCC(F)(F)F)ccc4ccccc34)c2=O)=N1 409035153 IYICANVOBGDPHX-GJFKPFFXSA-N 552.574 4.893 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccccc4)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 409087260 SOLARDZTHGSWFU-QAHUDSGCSA-N 546.670 4.941 0 40 KJAB 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KJAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(OC)c3)N2C1=O)C(=O)O 70705731 LQXURSIVSZMJHU-PSHDZPGLSA-N 580.641 4.889 0 40 KJAB biogenic COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(Cl)cc2)CCN(C)C4)cc1 97953961 UXJAJZAYVOUJOG-UHFFFAOYSA-N 527.071 4.828 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1NS(=O)(=O)c1cc(C)ccc1C 97982935 PIXNOPSZIGJAED-UHFFFAOYSA-N 557.694 4.540 0 40 KJAB CCCn1nnc(N(C(=O)c2cc(Br)cc(C)c2OC)C(=O)c2cc(Br)cc(C)c2OC)n1 97995794 XKYQJAPQKGTNPR-UHFFFAOYSA-N 581.265 4.729 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2sccc2C)cc1 98006348 ZIPRAJUBEKKIAC-QHCPKHFHSA-N 551.690 4.815 0 40 KJAB COc1ccc(OC)c([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)c1 100363830 VQWSNUPTUKHKTK-SSEXGKCCSA-N 541.652 4.980 0 40 KJAB Cc1cccc(N2CCN(CCCNC(=O)CCc3nnc4n(Cc5ccccc5Cl)c(=O)c5ccccc5n34)C[C@@H]2C)c1 101532547 PUJQNZAQBDMSJW-VWLOTQADSA-N 612.178 4.704 0 40 KJAB 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Cc1cccc(CN(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 224147268 DODGGLZWGVFYPW-SANMLTNESA-N 549.737 4.997 0 40 KJAB COc1ccc(CCC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1OC 224150512 NVYGGOYZTYILFG-KRWDZBQOSA-N 505.453 4.731 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224158480 KEOUOBQHCJTRRO-MUUNZHRXSA-N 611.761 4.550 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 224329433 QCVPXAATOGKXJN-AREMUKBSSA-N 560.091 4.926 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 224490591 QNASGXQZKHUVOG-QHCPKHFHSA-N 542.529 4.826 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 224526168 DZPRNMZZWLEGMX-HHHXNRCGSA-N 581.735 4.541 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Br)c(C)c1 224931942 REJUHOBXYCHLBY-QHCPKHFHSA-N 505.453 4.725 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 225017916 HMBIEJNYMGGTGT-JWQCQUIFSA-N 535.710 4.831 0 40 KJAB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 225091719 UXPDAVNWURROPU-SANMLTNESA-N 614.551 4.837 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 225119619 JKKLMXNWBAWEAK-MHZLTWQESA-N 641.787 4.558 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 225186149 HZYKILVMVBCJCH-FCHUYYIVSA-N 572.127 4.876 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 225214385 ZBKABFGWWSROIG-DHIUTWEWSA-N 539.673 4.661 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cn2)cc1C 225262851 TZKZEXLDGUIESB-KAYWLYCHSA-N 512.639 4.646 0 40 KJAB CCCSc1nnc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(C(C)(C)C)ccc3O2)s1 225354809 AFSFTIJRJCMVOW-OAQYLSRUSA-N 562.739 4.941 0 40 KJAB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)O)cc3)o2)ccc1NS(C)(=O)=O 225438290 OASFABLBZIWIKT-DQEYMECFSA-N 564.645 4.597 0 40 KJAB Cc1c(Cl)cccc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 225457312 XYOZUNJNIACIPW-QFIPXVFZSA-N 542.101 4.786 0 40 KJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cc2)cc1NS(C)(=O)=O 225485914 GPFLGPCMNKUHAF-FTJBHMTQSA-N 533.679 4.738 0 40 KJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1NS(C)(=O)=O 225492469 DNGFEHSUAQFKCS-UIOOFZCWSA-N 578.672 4.905 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225615813 QRHBQPMWFSCLCL-AREMUKBSSA-N 576.546 4.926 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)C)c1 260751253 PZHBXAAAHVMCSG-RUZDIDTESA-N 535.710 4.749 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 260877937 HLDLWNPNWFXRJB-LJQANCHMSA-N 542.529 4.566 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 260955232 KHYYTWTWADMBRR-IERDGZPVSA-N 546.492 4.621 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1OC 261071561 PVYHJBSNNWERKA-AREMUKBSSA-N 616.180 4.678 0 40 KJAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 408572541 JPGUJQYHZCWZND-DHZHZOJOSA-N 553.084 4.973 0 40 KJAB COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC 408601090 FEDLJVDFRQBGRS-LJQANCHMSA-N 509.411 4.539 0 40 KJAB Cc1cc(Cl)ccc1N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccccc1 408607460 MLKCIJMRFQFIAO-DHZHZOJOSA-N 524.086 4.701 0 40 KJAB C[C@H](Oc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)C(=O)NC1CCCCC1 408611667 QOOVCXJAABQJSI-VWLOTQADSA-N 561.748 4.999 0 40 KJAB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 408647644 JODHHNYNHIRVPB-JVPBZIDWSA-N 501.366 4.582 0 40 KJAB Cc1cccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408662385 RLAYEABSJISLEE-HMVJDLKLSA-N 505.401 4.915 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1C(=O)N1CCOCC1 408693146 JLAGGJLNMNOEHZ-UHFFFAOYSA-N 512.653 4.569 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3O)c(=O)n2[C@H]1c1ccc(SC)cc1 408775857 VPCMHBRAISIHKQ-JYWRCUDFSA-N 624.376 4.751 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccccc3F)c(=O)n2[C@H]1c1ccc(C)cc1 408832008 QTUXNFCDURYRLC-RGFRMHDHSA-N 542.632 4.825 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4c[nH]c5ccccc45)c(=O)n32)cc1 408836649 UABCAESRXBDZHN-MIUGUJGPSA-N 548.668 4.981 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Br)c(N(C)C)o4)c(=O)n32)cc1 408860991 KKCRLVNAOSIGPE-OWXSRONMSA-N 607.530 4.694 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O 408920660 MANMNXLHOAIIRT-UHFFFAOYSA-N 592.017 4.573 0 40 KJAB COC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1Cl 408933661 JSYVJWMTSPTRBP-MFOYZWKCSA-N 509.367 4.529 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cn(Cc5ccccc5F)c5ccccc45)c(=O)n32)cc1OCC 408945305 NXWNPVVLCCNJOO-LTXAPKEISA-N 611.695 4.958 0 40 KJAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)C1=O 409010909 GFOGWEGPRKEWKE-OTGIAGGSSA-N 534.384 4.714 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c2ccc(F)cc2)cc1 409127748 JQFQACXBZBFYOA-UHFFFAOYSA-N 516.038 4.640 0 40 KJAB CCCN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)OCC)c(Br)c2)C1=O 409228452 YXQJDKPUEZUNGE-MDWZMJQESA-N 507.200 4.600 0 40 KJAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)C1=O 409238119 CFXQREAWZMJFDX-LPYMAVHISA-N 535.984 4.776 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 409263108 HBJLHKFXOPZMBX-MUUNZHRXSA-N 535.691 4.540 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1OC(F)F 409356096 DYBZDMAHLROHEY-SXGWCWSVSA-N 513.316 4.734 0 40 KJAB CCc1nnsc1C(=O)N1CCN(Cc2ccccc2)CCCN(C(C)=O)c2ccc(Cl)cc2C1 643553961 HCVSDFCAWJSUAF-UHFFFAOYSA-N 512.079 4.655 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3ccc4nc(C)[nH]c4c3)CCO2)C1=O 643557389 VKWKVKTWNWCZQO-SSEXGKCCSA-N 518.658 4.517 0 40 KJAB COCC(=O)N1CCCN(Cc2ccc(Cl)cc2)CCCN(C(=O)Cn2cc(C(F)(F)F)cn2)Cc2ccccc21 643571572 FAMLRZVUTQLBAI-UHFFFAOYSA-N 592.062 4.860 0 40 KJAB CCOC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1 921223 FSUOTHQMLKNLIE-LJAQVGFWSA-N 555.635 4.537 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1 925496 MTXLUSCNLGTWRY-UHFFFAOYSA-N 534.663 4.674 0 40 KJAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3C3CCCCC3)cc12 926957 USQCHEKQOOHHEE-UHFFFAOYSA-N 500.603 4.568 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)CC(=O)Nc2cccc(Cl)c2)cc1 3220734 LARMLCMSJZWVSR-UHFFFAOYSA-N 506.411 4.570 0 40 KJAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1 3640201 UODGUHJYIKKKDX-QGZVFWFLSA-N 503.621 4.920 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1cccc(OC)c1OCC 8452343 JZJHLRQLVXSHJH-PZDOZLBDSA-N 547.460 4.512 0 40 KJAB COc1cc2c(c3oc(=O)c(CC(=O)NC4CCN(Cc5ccccc5)CC4)c(C)c13)CCC(C)(C)O2 8765415 YGYZPDUFBPMTEK-UHFFFAOYSA-N 504.627 4.537 0 40 KJAB biogenic CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(NC(=O)c3ccc(Br)o3)scc12 11757953 RCFSVKKFOGCCBA-UHFFFAOYSA-N 522.764 4.885 0 40 KJAB O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(Cc1ccccc1)N2 12376236 PGCNDXDRUMHHEQ-UHFFFAOYSA-N 502.802 4.566 0 40 KJAB Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NCc2ccco2)c2ccccc2F)c(C)c1 12487726 UNNRGWVIPNBHGH-AREMUKBSSA-N 519.598 4.918 0 40 KJAB CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 13500195 BFNMRVCGNZQSBL-RUZDIDTESA-N 530.629 4.586 0 40 KJAB CCN(c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1)S(=O)(=O)c1ccc(C)cc1 13585315 CKTKZBLJCNHYAN-UHFFFAOYSA-N 503.418 4.990 0 40 KJAB COc1ccc(OCc2nnc(SCC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)n2C)cc1 13844966 MIIQZAQPXCDIHT-UHFFFAOYSA-N 502.021 4.910 0 40 KJAB COc1ccc(C(=O)Nc2ccc3nc(SCc4cc(=O)n5oc(C)cc5n4)sc3c2)cc1OC 15864949 POVFLDLPEOCNIR-UHFFFAOYSA-N 508.581 4.767 0 40 KJAB COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16000967 MKKQYJCEOADSAI-LIONHTAISA-N 517.944 4.642 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(CSc3ccccc3)cc2C)S(C)(=O)=O)c1 20060858 OXZLLPZPIBQYTA-UHFFFAOYSA-N 500.642 4.709 0 40 KJAB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)CC1 21579982 ZFVOSMLEHZDULW-UHFFFAOYSA-N 514.409 4.982 0 40 KJAB O=C1CCCN1c1ccc(CSc2nnc3n(Cc4ccc(F)cc4)c(=O)c4sccc4n23)cc1 35529369 SYCJKFSVTJPJAH-UHFFFAOYSA-N 505.600 4.712 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)c2cccc(Br)c2)cc1 59930083 YKEKLGXLCUYJKE-KOSHJBKYSA-N 531.472 4.615 0 40 KJAB CCOC(=O)c1sc(NC(=O)CCCS(=O)(=O)c2nc(-c3ccccc3OC)cc(C(F)(F)F)n2)c(C(=O)OC)c1C 98043144 IIIBHHAMHGNSLG-UHFFFAOYSA-N 629.635 4.697 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@@H]1c1ccccc1 100058492 QHDGHTHEZZQERM-WLGHQHAYSA-N 596.446 4.663 0 40 KJAB O=C(NC[C@@H]1CCCO1)[C@H](c1ccc(Cl)cc1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(F)c(Cl)c1 100290743 WCDGMAMSUIFXRM-NVQXNPDNSA-N 601.441 4.995 0 40 KJAB Cc1ccc(C)c(N2CCN([C@H](c3cc4cc(C)c(C)cc4[nH]c3=O)c3nnnn3CCc3ccccc3)CC2)c1 100354383 ITDLLTYVURHOMO-WJOKGBTCSA-N 547.707 4.903 0 40 KJAB COc1ccc(NC(=O)CN(CC(=O)Nc2ccc(OC)c(Cl)c2)C[C@@H](O)c2ccccc2)cc1Cl 102923407 QHYIALYQONYXEA-JOCHJYFZSA-N 532.424 4.623 0 40 KJAB O=C1/C(=C/Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc2C(=O)N1c1ccc(Cl)cn1 103004828 JMGPXUVYDPDGBE-HAVVHWLPSA-N 523.014 4.550 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=S)NC(=O)c3cc(C)cc(C)c3)CC2)cc1 104085084 ZBDFFBOOGHCQIG-UHFFFAOYSA-N 557.141 4.903 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 222514665 GXHCKCFCMDAFOU-PMERELPUSA-N 591.680 4.855 0 40 KJAB 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CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 225123225 RQCXZBCIYIXZKL-HHHXNRCGSA-N 527.731 4.798 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 225204684 YMUXRVUIFYYYJS-JOCHJYFZSA-N 646.604 4.995 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 225228902 ZDGDDWZJMFGULR-AREMUKBSSA-N 602.153 4.886 0 40 KJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3cccnc3)c2C)cc1NS(C)(=O)=O 225473423 JCQLZGCHPNJTJV-RRPNLBNLSA-N 562.721 4.500 0 40 KJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1NS(C)(=O)=O 225493420 JPVDSEMNXVDUKZ-BJKOFHAPSA-N 511.673 4.555 0 40 KJAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)N(S(=O)(=O)c3ccc(Cl)cc3)CC4)C2)c1 225920280 FBQJRDULSJIPCV-JOCHJYFZSA-N 588.151 4.748 0 40 KJAB CNc1nc(-c2ccc(OC)c(NC(=O)C3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)c2)cs1 226048040 ZHJUIHJLTFUOLR-UHFFFAOYSA-N 528.700 4.825 0 40 KJAB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=Cc4ccccc4N2[C@H]3C(=O)c2ccc(Br)cc2)cc1 248135186 MSXDJBZNTKJAGR-WSOYEBOPSA-N 529.390 4.730 0 40 KJAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@@H]2O[C@@H]3c4ccc(C)cc4OC(C)(C)[C@H]3C[C@@H]2C1 257275565 NPXKPQGXCHTWHQ-DSXIPDHXSA-N 515.654 4.689 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260827804 ZAAKWXDCRWCGCH-XMMPIXPASA-N 541.758 4.970 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 260880013 BVAZPHJIKQQIMA-CUBQBAPOSA-N 595.762 4.930 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1Cl 260884194 PGJHNFXIQAUURO-HHHXNRCGSA-N 556.128 4.579 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 260907801 XCKPUFUNDXRJMC-OAQYLSRUSA-N 590.117 4.933 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 260923921 URICOXRKAXRLPU-DQEYMECFSA-N 535.710 4.831 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 408549243 RHKLOKYZNVERNO-CAOOACKPSA-N 605.212 4.641 0 40 KJAB C[C@H](C(=O)Nc1ccccc1C(=O)N1CCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 408618084 JKHDURYMPUJCCY-OAQYLSRUSA-N 521.639 4.898 0 40 KJAB Cc1cccc(N2CCN(C(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)c1C 408618818 GYPZFZWDTYOBFC-UHFFFAOYSA-N 526.102 4.539 0 40 KJAB COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 408641550 CQCXIXHVRBDABO-ZMYBRWDISA-N 501.366 4.582 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1 408703450 GBMRWODEWSFTDX-UHFFFAOYSA-N 551.646 4.577 0 40 KJAB Cc1c(I)ccc(NC(=O)[C@H]2CSCN2C(=O)OCc2ccccc2)c1Cl 408736698 FSYBIYJGEFETAV-MRXNPFEDSA-N 516.788 4.903 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC(=O)O)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 409016846 KDMDIJNKRMHYRQ-IENUPWEYSA-N 677.573 4.949 0 40 KJAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(Cl)cc3Cl)[C@H]2c2ccc(Cl)cc2)cc1 409056156 GKTQVCMGNHKJFZ-MBVXVFGZSA-O 503.793 4.672 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccccc3)c(=O)n2[C@@H]1c1ccccc1OC 409106274 QTYSBPNIWSYUNP-JUNLCRQGSA-N 567.711 4.691 0 40 KJAB CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2cc(C)c(C)cc2Br)c1=S 409165693 AYISAZNCVSEZGD-UHFFFAOYSA-N 516.465 4.690 0 40 KJAB COc1ccc(OC)c(N(CC(=O)NCCSCc2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409182961 PNGNSYZJAJMXQF-UHFFFAOYSA-N 595.139 4.619 0 40 KJAB COc1cccc(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)c1 409194412 LBFNVPCMWJOSSM-UHFFFAOYSA-N 523.836 4.941 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)ccc1OCc1ccc(C)cc1 409213645 UTPHGLLDWANGPG-OEAKJJBVSA-N 503.530 4.643 0 40 KJAB COc1cc(/C=C2/SC(=O)N(C)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br 409271099 JCGDZEJENGCJHY-VXLYETTFSA-N 505.390 4.758 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc(Cl)c1OC 409347393 PRCDRPAAGKAYQC-SXGWCWSVSA-N 558.781 4.637 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc(OCc4ccc(Br)cc4)c3)C2=O)o1 409401377 SVCNDILARCUBRC-NDENLUEZSA-N 511.328 4.501 0 40 KJAB Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)S(C)(=O)=O)c1 409410465 XIEHLLNJOKDYLG-SFHVURJKSA-N 580.526 4.660 0 40 KJAB O=C(CC1(COc2ccc(F)cc2)CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N1CCCCC1 585268749 AOAOAMXSRBUWDB-UHFFFAOYSA-N 553.494 4.841 0 40 KJAB CC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)C[C@@H]3CCCCO3)Cc3ccccc31)N2Cc1nccs1 643578463 WUFVYFRPPSWINR-DSITVLBTSA-N 510.704 4.611 0 40 KJAB COc1cc([C@H](CC(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC 1547138656 DTLBEZQZDUYUGL-HOFKKMOUSA-N 743.810 4.947 0 40 KJAB biogenic O=C(COc1ccc(S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1)Nc1ccc(F)cc1 2663546 KGYCSSBXSARPGZ-UHFFFAOYSA-N 552.555 4.833 0 40 KJAB Cc1cc(Br)c(OCc2ccc(C(=O)OCC(=O)N3CCCC3)cc2)c(Br)c1 3301532 WIIZCVBLRVWQFA-UHFFFAOYSA-N 511.210 4.878 0 40 KJAB COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)/C(=C/Nc3ccc(O)cc3)c3ccccc3C2=O)c1 5941404 BFLDYWHAIHDMAW-XIEYBQDHSA-N 541.585 4.842 0 40 KJAB Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN(c4nc5ccccc5s4)CC3)cc12 6405549 BPGGNJAQUORKOC-AREMUKBSSA-N 540.697 4.768 0 40 KJAB CCOCCCNC(=O)[C@@H](c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1O 8591228 WPLKDPVLIQLEKA-AREMUKBSSA-N 525.001 4.701 0 40 KJAB COc1ccc(CCNC(=O)CSc2cn(CCNC(=O)c3ccc(C)cc3)c3ccccc23)cc1OC 9391870 QYOUGPWGXFFHOP-UHFFFAOYSA-N 531.678 4.848 0 40 KJAB COc1cc(OC)cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)c1 13029539 GMPVUTIPIIQVIQ-GDLZYMKVSA-N 527.625 4.590 0 40 KJAB C/C=C(\C)C(=O)Oc1c(OC)c(OC)cc2c1-c1c(cc(OC)c(OC)c1OC)C[C@@](C)(O)[C@H](C)C2 14692424 ZSAUXCVJDYCLRS-OZIVYKKJSA-N 500.588 4.754 0 40 KJAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(OCC)cc1 15018598 DFNFYAYWHXGEDB-AFHVAHMMSA-N 517.434 4.504 0 40 KJAB Cc1ccccc1Nc1nc([C@@H](C)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2ccccc12 22052495 XBZWJOGKIAKWCG-HXUWFJFHSA-N 505.619 4.888 0 40 KJAB CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1C(=O)N1CCC(C)CC1 26119297 SPHGKABUDHQMCL-UHFFFAOYSA-N 503.690 4.610 0 40 KJAB COc1cc(OC)cc(-c2nc(NC(=O)c3cccc(N4C(=O)N[C@H]5C[C@]4(C)Oc4ccccc45)c3)n[nH]2)c1 29749589 NBVSBXNEVIJXAG-DWACAAAGSA-N 526.553 4.511 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 30751948 LWFIWSOLTSVTFA-UHFFFAOYSA-N 503.020 4.520 0 40 KJAB CC(C)(C)c1ccc(C(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(Cl)c5)sc4n3)CC2)cc1 41085837 ZHDZGESRCQGFDO-UHFFFAOYSA-N 522.074 4.727 0 40 KJAB Cc1ncc(CN2CCN(Cc3cccnc3)CC2)c2cc(C(=O)c3ccc(Br)cc3)oc12 95475421 ZAUNPOQSDLWDLD-UHFFFAOYSA-N 505.416 4.843 0 40 KJAB Cc1cc(I)cc2c(=O)oc(-c3cc(Br)nn3-c3ncccc3Cl)nc12 97945806 ZJUQAMFSOPQGKH-UHFFFAOYSA-N 543.546 4.765 0 40 KJAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1ccccc1 97954380 MNBFKRRRPRIYNW-KWXIBIRDSA-N 526.570 4.505 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1N/C=C1/C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)c2ccccc21 97980534 KJOLPUUZNMSDQX-KOEQRZSOSA-N 559.644 4.534 0 40 KJAB COc1ccc(CCN2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(F)c(F)c2)cc1OC 98043213 NBFZYZSPAIMSSG-QFIPXVFZSA-N 527.499 4.530 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@H](C(=O)NC3CCCC3)c3cccs3)n2)cc1OC 100276669 RHEGAUSHNZXAHA-MHZLTWQESA-N 595.125 4.901 0 40 KJAB COc1cc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(Cl)c2)cc(OC)c1OC 100308441 PPENHWNUDALLNY-RUZDIDTESA-N 624.119 4.516 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)c(OC)c1 100363742 RJYGOMRFRMPMJR-PMERELPUSA-N 541.652 4.980 0 40 KJAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C(C)C)c(S(=O)(=O)N2CCOCC2)c1 102928479 OTNNDVWOEWXDPW-UHFFFAOYSA-N 592.743 4.569 0 40 KJAB COC(=O)c1c(NC(=O)[C@@H]2SC(Nc3cccc(C)c3)=C(C(=O)NC3CC3)C2=N)sc2c1CCCCC2 102930175 HRFJOFUVIGQZQL-JOCHJYFZSA-N 538.695 4.788 0 40 KJAB Cc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)cc1S(=O)(=O)N1CCCCC1 103087744 OCKIGXOGYXDLBS-LJQANCHMSA-N 535.666 4.638 0 40 KJAB 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CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC(C)=O)cc3)C2=O)ccc1Cl 409168316 MNDIYEQIZSTZKJ-RGVLZGJSSA-N 516.959 4.507 0 40 KJAB Cc1ccc(C(C)C)c(OCC(=O)NCc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)n2C)c1 409173833 KRYCDICQFPGZNL-UHFFFAOYSA-N 536.485 4.980 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccccc5C(=O)OC)o4)c(=O)n32)cc1 409190732 QGKYPBMIEAOLJM-YNMQQHPQSA-N 586.666 4.632 0 40 KJAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409264950 NAFMFBZGEHJXCI-QFIPXVFZSA-N 571.721 4.837 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc(Br)c1OCC(=O)OC 409271343 BPACBKYWDRDDKF-JAIQZWGSSA-N 577.453 4.691 0 40 KJAB CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2c(c1)NC(=O)CO2 604404845 SXQSVZCCWNVTPU-SFNSCEKISA-N 644.725 4.659 0 40 KJAB biogenic COCCN1CCCCCCN(C(=O)CCc2ccnn2C)[C@@H](Cc2ccccc2)COc2ccccc2C1=O 643583326 PHDFXSOQAYTEPC-NDEPHWFRSA-N 546.712 4.534 0 40 KJAB O=NN1[C@@H](Cc2ccccc2)[C@H]2C(=O)N(CCCCCCN3C(=O)[C@H]4[C@@H](Cc5ccccc5)N(N=O)[C@]5(C(=O)Nc6ccccc65)[C@@H]4C3=O)C(=O)[C@H]2[C@@]12C(=O)Nc1ccccc12 1615056179 VMJIAZUKKMJSMG-VYMDHXOJSA-N 834.890 4.661 0 40 KJAB Cc1ccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(c4ccc(C)cc4C(=O)O)C5=O)cc3C2=O)c(C(=O)O)c1 819815 FWLADRGCIIVGPK-UHFFFAOYSA-N 560.518 4.968 0 40 KJAB O=C(NC[C@H]1CCCO1)[C@@H](c1ccc(F)cc1)N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1 903775 QIWOMKKSRIXABS-AOYPEHQESA-N 583.451 4.856 0 40 KJAB COc1ccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(OC)cc4)C5=O)cc3C2=O)cc1 1435806 PKFFGNUQZDRMQD-UHFFFAOYSA-N 532.508 4.536 0 40 KJAB O=C(OC[C@H]1O[C@@H](n2cnc3c(=S)nc[nH]c32)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 4747965 HCXWEAGLVGVNCO-FQFFBEATSA-N 596.621 4.694 0 40 KJAB CCC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(=O)NC2CCCCC2)c1N 6501033 GPXYSXFODNFGTK-QFIPXVFZSA-N 543.709 4.797 0 40 KJAB C[C@H](OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)cc2)cc1)C(=O)c1ccccc1 8451509 VZTKADFSOREHFI-SFHVURJKSA-N 521.953 4.913 0 40 KJAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)N[C@H](C)c2ccccc2)C(=O)[C@]31C 8918261 QXCOZRQGZHCEPU-JJCDCTGGSA-N 508.578 4.908 0 40 KJAB biogenic Cc1ccccc1CSCCNC(=O)c1ccc(CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 9694840 MAZGGJXAVBUCKN-UHFFFAOYSA-N 515.676 4.610 0 40 KJAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc(OC)c2OCc2ccccc2)c(OC)c1 9934754 BXYFYLGSERXRBL-SANMLTNESA-N 527.581 4.811 0 40 KJAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc(OC)c2OCc2ccccc2)c(OC)c1 9934755 BXYFYLGSERXRBL-AREMUKBSSA-N 527.581 4.811 0 40 KJAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 10445239 SDCRVJMXZHTLNU-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccccc1F)N(Cc1ccccc1OC)C(=O)Cn1nnc2ccccc21 13024196 QBKQQKFIFAEFQV-MHZLTWQESA-N 517.605 4.654 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1 13024737 VDYCCWXOOMFUCR-SANMLTNESA-N 503.578 4.658 0 40 KJAB CC1=C[C@H]([C@@H]2CC(=O)N(Cc3ccccc3Cl)C2=O)C[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 15188108 QRQWFOADMVZXEL-PWSZPPJVSA-N 511.405 4.636 0 40 KJAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(c4cccc(C)c4C)CC3)cc2c1 19941327 YDFNDUQFHPJIRK-MUUNZHRXSA-N 511.674 4.857 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2cccc(Br)c2)Cc2ccccc2F)cc1 20012138 ZLAYNGACTRFQRG-SFHVURJKSA-N 519.436 4.965 0 40 KJAB Cc1ccc(C)c(N2CCN([C@@H](c3cc4cc(C)c(C)cc4[nH]c3=O)c3nnnn3C3CCCC3)CC2)c1 20079903 WEEKEJGTOOFVIV-NDEPHWFRSA-N 511.674 4.775 0 40 KJAB COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 20490874 IJLHJJIKCLXEFN-RUZDIDTESA-N 526.655 4.811 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1F)c1cccc(Cl)c1 23511004 LNVISWLIMONZAU-VMPITWQZSA-N 514.022 4.751 0 40 KJAB CCOC(=O)C1=C(CSc2nnc(Nc3cccc(Cl)c3C)s2)NC(=O)N[C@H]1c1ccco1 24032703 XYJOXPWCXVTISJ-KRWDZBQOSA-N 506.009 4.800 0 40 KJAB CCOC(=O)C1=C(COC(=O)c2cc(-c3ccco3)nc3ccccc23)NC(=O)N[C@@H]1c1cccs1 32910014 JKEXXXTVGFCIOC-HSZRJFAPSA-N 503.536 4.584 0 40 KJAB COc1cc2c(c(Cl)c1O)Oc1c(cc(OC)c(O)c1Cl)C21OC(=O)c2cc(C(=O)O)ccc21 34326616 AVDYNPKNLYWWHE-UHFFFAOYSA-N 505.262 4.688 0 40 KJAB CCCOc1ccc(C(=O)[C@@H]2[C@H](c3ccc(-c4cccc(F)c4)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 35633362 YFKDPQBDBKWUKB-AWRGLXIESA-N 506.452 4.978 0 40 KJAB COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3C)N(Cc3ccc(OC)c(OC)c3)C2=S)cc1 97952045 QMAGYDUZEYDPCB-XMMPIXPASA-N 533.650 4.860 0 40 KJAB COc1ccc(C=O)cc1Cn1c(=O)n(CCCCCC(=O)NCc2ccccc2Cl)c(=O)c2sccc21 97986782 RJIWFUHBBQERLQ-UHFFFAOYSA-N 554.068 4.624 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3cccc(C)c3C)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)cc3)n2)cc1 100290580 OFBYRLMLBNZZSF-BHBYDHKZSA-N 552.679 4.643 0 40 KJAB Cc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)c2snc(C(=O)NC3CCCCC3)c2N)cc1 100293721 SQWHFMRSRRUILV-XMMPIXPASA-N 551.713 4.988 0 40 KJAB CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccc(C)cc2)C(=O)Cn2nnc3ccccc32)cc1OC 100364407 GSMVKHLNNPXOBO-GDLZYMKVSA-N 543.668 4.832 0 40 KJAB CCOC(=O)c1sc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(OC)c(OC)c2)nc1C 101031049 OHQQKXMKGODLBG-HXUWFJFHSA-N 524.526 4.641 0 40 KJAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1OCC(=O)Nc1ccc(Cl)cc1OC 102995101 JBHLJYWKXSKDBT-UHFFFAOYSA-N 533.364 4.824 0 40 KJAB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 103015437 DCWCWSAZKAZERM-UHFFFAOYSA-N 543.601 4.664 0 40 KJAB CN(C)CCCNC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OC(C)(C)C)[C@@](C)(O)C1 105106642 HYLLWXCSKVAJES-ZKOMGTKCSA-N 523.114 4.673 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCCc3ccccc3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 108447430 KUSGLNHNEBJSML-HVNZXBJASA-N 587.717 4.658 0 40 KJAB biogenic COc1cc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c2)cc1Cl 110562499 APIHMYGDVHZUOB-NTLWEQJWSA-N 565.088 4.564 0 40 KJAB Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](COS(=O)(=O)O)[C@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)ccc12 150670665 ROFIGSQDRQGRFR-DJADJKNPSA-N 730.700 4.701 0 40 KJAB biogenic,in-vitro COc1ccc(C(=O)N2CCc3ccc(NC(=O)[C@H]4CCCN(S(=O)(=O)c5ccc(OC)c(Cl)c5)C4)cc32)cc1 222535361 BCUIYLXXSDMMKO-NRFANRHFSA-N 584.094 4.600 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccccc2Br)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 222564994 RQEWDXJNRQPXLT-NDEPHWFRSA-N 614.606 4.936 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 222661210 UVAYSPLWARPDOW-NSHDSACASA-N 575.729 4.883 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)c2ccccc2)cc1OC 222693497 RTNZOHOPDJMBEM-QHCPKHFHSA-N 581.735 4.540 0 40 KJAB O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCCNc1ccnc2cc(Cl)ccc12 222863501 OLHGYLPHMAWYRA-UHFFFAOYSA-N 537.085 4.570 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 223244364 SXYKEJXCWOKYNG-QHCPKHFHSA-N 569.699 4.753 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 223276229 KYOGIMDYABGXBE-AJTFRIOCSA-N 556.128 4.661 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 223436078 PDNQUIBLHXBXDF-HSZRJFAPSA-N 569.699 4.672 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223476265 RNOMNESNYXXSGC-PDDLMNHVSA-N 621.800 4.867 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 223503450 QDKXPCHCSYLUJY-SKCUWOTOSA-N 586.154 4.669 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(C)(=O)=O 223606795 HYUCLEKFHLMJGQ-RUZDIDTESA-N 562.519 4.536 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 223655582 HTPMXBFQVLUMBW-NDEPHWFRSA-N 599.725 4.760 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 223797589 NMPCADJVUVJWPP-HNNXBMFYSA-N 568.445 4.722 0 40 KJAB Cc1ccc(CN(C(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1 223811528 UBDNDPSPWZMWPO-DEOSSOPVSA-N 527.731 4.634 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 223872365 FWVYLDXZGBWCRC-NRFANRHFSA-N 555.647 4.636 0 40 KJAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 224069748 JVTSGQOXGMQDCQ-MHZLTWQESA-N 529.747 4.616 0 40 KJAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224071716 QIZLGZKIBDOSEP-FQEVSTJZSA-N 562.519 4.785 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224162842 IBGHTTMWHAXVME-AREMUKBSSA-N 602.153 4.804 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 224288135 TXLFCEXHWWWPAX-HHHXNRCGSA-N 572.127 4.878 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 224325009 SXUMDHRJQNDEMV-LJAQVGFWSA-N 583.726 4.547 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 224423725 PICWRYYIHRRGRR-DEOSSOPVSA-N 570.539 4.634 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224550441 HYKBVYHARHHUSV-LJAQVGFWSA-N 581.710 4.896 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 224681112 FNLCUGXWFKGSGI-HSZRJFAPSA-N 542.529 4.647 0 40 KJAB COc1ccccc1OCCNC(=O)c1ccc(CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 224751146 IDAHAJODJAFJEQ-UHFFFAOYSA-N 523.438 4.777 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 224930475 VAHYFAXBQVQRCI-RUZDIDTESA-N 551.709 4.717 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224954333 HITXARFQWKSVNH-MUUNZHRXSA-N 571.690 4.676 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 224958573 GPWBPTDXOPDABS-INIZCTEOSA-N 548.920 4.665 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)c1 224971882 YFPDKKKSUMTERB-PMERELPUSA-N 579.738 4.907 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 225123268 JHUMPJTXZIGPST-NDEPHWFRSA-N 586.154 4.588 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 225208641 QPSPYSRBMBVGDK-AREMUKBSSA-N 549.684 4.767 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1 225791364 GFYNAWMZJCLNJH-UHFFFAOYSA-N 608.163 4.749 0 40 KJAB CNc1nc(-c2ccc(OC)c(NC(=O)COc3ccc(S(=O)(=O)Nc4cccc(OC)c4)cc3)c2)cs1 226085153 UDUSCTQKLZPGLQ-UHFFFAOYSA-N 554.650 4.687 0 40 KJAB COc1cc(NC(=O)COc2c(C)cc(Br)cc2Br)cc2sc(N)nc12 226312449 OJVBEUXTIDIELK-UHFFFAOYSA-N 501.200 4.738 0 40 KJAB Cc1cc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C5CCCCC5)cc4)[C@@H](C(=O)NC(C)(C)C)[C@@]34C=C[C@@]2(C)O4)no1 231616195 YQVPVMDKMYDRSY-ABLFPMHWSA-N 546.668 4.629 0 40 KJAB CC(=O)N[C@H](C(=O)N1CC[C@H]2O[C@H]3c4cc(Cl)ccc4OC(C)(C)[C@@H]3C[C@H]2C1)[C@@H](C)OC(C)(C)C 257284189 PBPPWZPERWFJQG-IHFIHJDDSA-N 507.071 4.514 0 40 KJAB 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O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1cccc(F)c1 12704441 LTTGUUQNJXRVLU-XMMPIXPASA-N 522.581 4.513 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 19856308 RAIPBCRLEVVIOI-UHFFFAOYSA-N 508.518 4.865 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc(NCCc4ccccc4)c4ccccc4n3)CC2)cc1 22052728 GYEQXUGNHZEAPP-HSZRJFAPSA-N 515.683 4.660 0 40 KJAB O=C(NCCCn1ccnc1)/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)NC(=O)c1ccccc1 27024860 BNTJUHMOWCIFOV-PLRJNAJWSA-N 522.634 4.775 0 40 KJAB CCCOc1ccc(C(=O)[C@@H]2[C@H](c3ccc(-c4cccc(F)c4)o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 32624078 YFKDPQBDBKWUKB-HFMPRLQTSA-N 506.452 4.978 0 40 KJAB O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 33382447 HXBIYYGGIRMLFP-UHFFFAOYSA-N 504.391 4.780 0 40 KJAB CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(F)c1)C(c1ccc(Br)cc1)=N2 35397191 MTPRRXVSYUVVKV-UHFFFAOYSA-N 507.404 4.722 0 40 KJAB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1 44857338 FVTBGXIKLNKKFW-UHFFFAOYSA-N 512.075 4.832 0 40 KJAB COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1Br 59331670 WYPKLCJLKPPJLS-GFCCVEGCSA-N 524.506 4.896 0 40 KJAB Cc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1C 59444570 WEHWMNQVVSFGLI-UHFFFAOYSA-N 501.446 4.938 0 40 KJAB C[C@H](NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 59958252 LMYDLMNXDMYESB-INIZCTEOSA-N 575.030 4.835 0 40 KJAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 96019780 KUQFYKMWJFCNEY-UHFFFAOYSA-N 562.673 4.813 0 40 KJAB CCOc1ccc2nc(SCC(=O)Nc3ccc4nc(SCC(=O)N5CCOCC5)sc4c3)sc2c1 98002704 YFDXHXIFHUVSSJ-UHFFFAOYSA-N 560.748 4.986 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2cc(F)c(F)c(F)c2F)cc1 98005198 SOTKSLJFGJLBCM-FQEVSTJZSA-N 559.541 4.951 0 40 KJAB O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccc(I)c1 100055340 AOOJDOJRRDHCAW-UHFFFAOYSA-N 556.473 4.740 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c(C)c1 100085450 USFUZPVKGSRQHY-UHFFFAOYSA-N 540.638 4.640 0 40 KJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100281604 FCGAJNUNYXGWCN-KPINYMTQSA-N 514.931 4.962 0 40 KJAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1OC 101165621 RHCIHPIJDUBGGI-NPMXOYFQSA-N 526.387 4.532 0 40 KJAB CC(C)C[C@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]21 101507774 QYKMTOOSQRDMTF-RFFSZZMTSA-N 569.459 4.529 0 40 KJAB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)c(Cl)c1)CCC2)N[C@H]1CCS(=O)(=O)C1 102286376 DTQSSWCCKQDRDU-FSEPTYSPSA-N 559.471 4.879 0 40 KJAB CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4OCC)C(=O)[C@@H]3ON2C)ccc1OCc1ccccc1 102758764 LQWKXNWJTASVRH-KWXIBIRDSA-N 502.567 4.539 0 40 KJAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)cc1 103136559 NPKILUUYKVTCJD-UHFFFAOYSA-N 542.086 4.628 0 40 KJAB COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccc(N4CCOCC4)cc3)c2)cc1 103136895 JYXNEQYAEWQYQJ-UHFFFAOYSA-N 615.708 4.723 0 40 KJAB 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COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(C)cc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 504068819 WULSXBKHHUWZIW-HHIOAARCSA-N 522.601 4.965 0 40 KJAB biogenic COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O 524731550 BKMZXPVCRHLBDR-UGKGYDQZSA-N 518.566 4.574 0 40 KJAB biogenic CC(C)C[C@@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)c2ccccc2Cl)CC(=O)N1 643557045 UPKWRVJUXRZEBQ-LJQANCHMSA-N 520.457 4.569 0 40 KJAB O=C1C[C@H](N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Br)cc1 1066411 RUAWAFHLEZCYFW-DEOSSOPVSA-N 540.408 4.766 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1ccc(Cl)cc1 2268993 MUUKIXLVDDEOJI-WNPPMXKSSA-N 507.036 4.651 0 40 KJAB CCc1c(C)sc(N[C@@](NC(=O)c2ccc(Cl)cc2Cl)(C(=O)OC)C(F)(F)F)c1C(=O)OC 2357990 WRWOHHIKBDDLAE-IBGZPJMESA-N 527.348 4.986 0 40 KJAB Cc1cc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc4noc(-c5ccccc5)c4c3)CC2)nc2ccccc12 9547802 SEZNSTURFDDGAB-NRFANRHFSA-N 519.605 4.819 0 40 KJAB 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CCc1ccc(OCCNC(=O)c2ccc(CN(c3ccc(I)cc3)S(C)(=O)=O)cc2)cc1 224725906 OGTBKKHISSZMNS-UHFFFAOYSA-N 578.472 4.629 0 40 KJAB Cc1ccc(CN(C(=O)CCc2ccc3c(c2)OCCO3)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224843923 SLQQQVQVFAOYKS-MHZLTWQESA-N 500.639 4.864 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O 224858838 ZTQWIHQWRJEVNN-QGZVFWFLSA-N 558.503 4.765 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 224983124 VTCNUAMQQNVIQI-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)N[C@@H](C)CC)c2ccc(C)cc2)cc1 224989447 KYXJCMIIPOJYIA-DQEYMECFSA-N 565.736 4.921 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 225079729 ZBIRVKYREJETFX-HHHXNRCGSA-N 581.735 4.541 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 225105145 LGXOFEIQZSEOIP-MHZLTWQESA-N 521.683 4.524 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 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CCOc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC)S(C)(=O)=O 261084495 RWADOQZPRAOGCA-ABYGYWHVSA-N 579.763 4.715 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 261098976 VQCGCOWTUXKQNE-ROUUACIJSA-N 572.953 4.509 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)Nc1ccccc1Br)Cc1ccccc1 408625953 XNXSNQOWKJOYBF-UHFFFAOYSA-N 523.836 4.941 0 40 KJAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408626447 XEQNGJLPSPAGGJ-UHFFFAOYSA-N 517.573 4.634 0 40 KJAB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccc(OC(=O)c2ccccc2)cc1 408643662 GJXWSSQVULBUCH-SFHVURJKSA-N 512.345 4.992 0 40 KJAB COc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)Nc4ccc(Br)cc4)CC3=O)cc2)cc1 408650867 CEZNRQAPJGTUCX-QGZVFWFLSA-N 539.382 4.785 0 40 KJAB O=C(NCCSCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 408679836 LVQPDNJIVJTDFF-UHFFFAOYSA-N 501.501 4.585 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1cc(Cl)cc(Cl)c1 408710966 CEDGHSZWSXMKIL-UHFFFAOYSA-N 566.482 4.994 0 40 KJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1NS(C)(=O)=O 408711414 UHWWSMAEVAEGCQ-UHFFFAOYSA-N 528.439 4.726 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(C(=O)OCC)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 408812715 MHQWDUQNWZZDDB-LAUBZIAYSA-N 600.668 4.693 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccccc3OCC(=O)OCC)c2=O)=N1 408928150 ZZEPNUASSNLDDZ-GBIJUZDQSA-N 576.715 4.644 0 40 KJAB CCOc1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1I 408929063 PTULNDUGNYYIME-MHWRWJLKSA-N 527.156 4.545 0 40 KJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 409145163 PMPXAAFAZNZMJS-SFHVURJKSA-N 544.471 4.811 0 40 KJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(O)c(I)c3)C2=O)cc1C 409168480 LNJKFBPTZBINMZ-LZYBPNLTSA-N 634.233 4.893 0 40 KJAB Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)cc4F)C3=O)cc2)cc1 409274794 XYQRWBDRBDNQMW-FSJBWODESA-N 537.544 4.966 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc1OC 409345202 KPZUEFBOMLRJNJ-ZDLGFXPLSA-N 628.295 4.837 0 40 KJAB Cc1cc(I)ccc1NC(=O)CSc1nnc(COc2c(C)cccc2C)n1C 409359720 NOUHWDOBRGCYQE-UHFFFAOYSA-N 522.412 4.655 0 40 KJAB CCOC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)O)c1 409381760 JKEKTMNNGFVEIG-YADHBBJMSA-N 574.369 4.644 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3ccc4c(c3)CCC4)CCO2)C1=O 643556333 LARJJVBQAUTOBH-HKBQPEDESA-N 504.671 4.821 0 40 KJAB Cc1cccc2c1N(C(=O)COc1ccccc1)CCCN(C(C)C)CCN(C(=O)c1ccnn1C(C)C)C2 643564893 LVYJIMXWFLHMAR-UHFFFAOYSA-N 531.701 4.941 0 40 KJAB CC(C)(C)CCN1CCCCCOc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2Cc2cccc(c2)C1 643575859 RBGXQSQDCFJRMQ-UHFFFAOYSA-N 555.785 4.796 0 40 KJAB COc1ccc2c(c1)[C]1C[C@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 1560408706 XWKWITCEJDQFHA-YUIAVHQFSA-N 658.845 4.532 0 40 KJAB COc1ccc(NC(=O)[C@H](c2cccs2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 1412442 RUIKXDDMHBMGGD-MHZLTWQESA-N 511.607 4.910 0 40 KJAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)Nc4ccc(F)cc4)ccc3Cl)cc2)c1C 3251916 XDCMLNIHOHENEH-UHFFFAOYSA-N 579.031 4.938 0 40 KJAB O=c1cc(CSc2nnc(CN3CCCCC3)n2Cc2ccccc2)nc2sc3ccccc3n12 3327128 YFRGGSLVVIRVKF-UHFFFAOYSA-N 502.669 4.827 0 40 KJAB O=C(CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccc(OC(F)(F)F)cc1 3655003 HGZSAKRVCSECEJ-UHFFFAOYSA-N 525.452 4.925 0 40 KJAB aggregator CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCCCCCNC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C 4804397 GFANDROCUWMWBP-VSGBNLITSA-N 582.742 4.681 0 40 KJAB Cc1cc(C)c(Cn2c(=O)n(CCCCCC(=O)NCc3ccc4c(c3)OCO4)c(=O)c3sccc32)c(C)c1 8593191 BPPNPMXXVFIRLO-UHFFFAOYSA-N 547.677 4.804 0 40 KJAB CCCOc1ccc(C(=O)Nc2cc(C(=O)OCC)ccc2N2CCN(C(=O)c3ccccc3)CC2)cc1 9907936 YJWIUXUIGSBUBJ-UHFFFAOYSA-N 515.610 4.867 0 40 KJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 11847313 MLASZEUJFPJEAY-VZZNCHCQSA-N 506.687 4.986 0 40 KJAB biogenic COc1ccc(C)cc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1ccccc1F 13030147 SZPGSCNWFNKWOK-NDEPHWFRSA-N 515.589 4.721 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1C 13668203 GQOZXXULNUCAPV-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 13683240 SCFUDNOINQGNDV-UHFFFAOYSA-N 518.466 4.922 0 40 KJAB CC[C@H](C)c1ccccc1NC(=O)CN1C(=O)NC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C1=O 14070241 VRGXOVCEDGGVIS-IBGZPJMESA-N 501.583 4.651 0 40 KJAB CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)cc1 20412636 XDFHORYXCWRQDI-UHFFFAOYSA-N 517.095 4.950 0 40 KJAB CC1(C)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCN1CCOCC1 20792839 HCWOPWAWGYYZER-NRFANRHFSA-N 522.433 4.596 0 40 KJAB CCOC(=O)C1=C(CSc2nnc(Nc3c(CC)cccc3CC)s2)NC(=O)N[C@H]1c1ccco1 24002359 BGMMILUTYDUDLV-FQEVSTJZSA-N 513.645 4.963 0 40 KJAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC(C)C)cc2)cc1 33058595 RJMHPSVWHDCDBX-UHFFFAOYSA-N 500.624 4.622 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(CN3CCCCC3)cc2)c2cccc(C)c2)cc1 44873602 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CCOc1ccc(N(CCCC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260813643 SUOKPWKKIRIDBB-HSZRJFAPSA-N 573.756 4.506 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)c2ccc(Cl)cc2)cc1OC 260913291 YVXIPTSMRVZLDC-HXUWFJFHSA-N 606.116 4.634 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)Oc3cc(C)ccc32)cc1 260934985 NVUFNDUVLMMWCR-NGOKVRLYSA-N 520.651 4.716 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 260945752 JDRHOEMWTZCATA-RPWUZVMVSA-N 613.752 4.987 0 40 KJAB CCc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c2ccccc2)cc1 261034427 XRFVEOAGWPTLFO-JWQCQUIFSA-N 549.737 4.819 0 40 KJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)ccc2Cl)c(C)c1 408617214 ISXHQHSKPQTULD-FQEVSTJZSA-N 542.057 4.919 0 40 KJAB O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccccc1 408659159 OUZITRJNEPTQLS-OJKWPBSESA-N 506.385 4.713 0 40 KJAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4cc(C(F)(F)F)ccc4Cl)cc3)C(=O)[C@@H]21 408678225 BMOYTZQFGRRHNY-GQNMWPQZSA-N 520.891 4.856 0 40 KJAB Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 408730635 GSLIXULNJUTKDP-BBXSYUKCSA-N 513.933 4.899 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccccc5)c(OCC)c4)c(=O)n32)cc1OCC 408941590 WGXSLRILNOMQOH-YEWMBUBISA-N 614.720 4.793 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OCC 408942745 RHJSNDQAWOBMRD-STEKTNRRSA-N 687.609 4.689 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccccc4)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408985243 KCGIWSAQIPOIFQ-JLHDDXNDSA-N 584.694 4.785 0 40 KJAB CCOC(=O)Cn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c2cc(Br)ccc21 409137614 WHOFYEUNJFBDSM-UKWGHVSLSA-N 560.401 4.781 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O)Nc1ccc(N2CCOCC2)cc1 409161285 MGAMPDFTFHPNOF-XIEYBQDHSA-N 515.591 4.991 0 40 KJAB CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2Br)C1=O 409345090 JRWQPNILGJDUHS-VCHYOVAHSA-N 598.269 4.829 0 40 KJAB CCCCN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c2ccccc21 409387552 IZIIZMIUXPRDAA-UUALVTFQSA-N 566.658 4.530 0 40 KJAB COc1cc(CN2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)ccc1OCCCN1CCCC1=O 585281327 IJFQWLFNDBLUBH-UHFFFAOYSA-N 531.093 4.763 0 40 KJAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3oc4ccc(F)cc4c3C)CCO2)C1=O 643556246 IBFJKBYOGOYWSF-LJAQVGFWSA-N 508.590 4.745 0 40 KJAB CC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)COc3cccc(N(C)C)c3)Cc3ccccc31)N2Cc1ccccn1 2037940842 RLCBNGZQWFPNOQ-DGPALRBDSA-N 555.723 4.735 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c2ccccc2C)cc1 628379 DQYOHIGCSHYECB-UHFFFAOYSA-N 512.075 4.809 0 40 KJAB O=C(Nc1ccccc1C(=O)O)c1ccc(Br)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 888028 GCJVYOWWEXOIDQ-UHFFFAOYSA-N 554.216 4.963 0 40 KJAB CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)O)c(Cl)cc12 2132227 KLXAREHGBGYIKD-JLCFBVMHSA-N 526.973 4.555 0 40 KJAB biogenic CCOc1ccc(-n2c(CNC(=O)c3ccco3)nnc2SCC(=O)Nc2cc(C)ccc2C)cc1 3632731 HANPFMQMQGQZBG-UHFFFAOYSA-N 505.600 4.537 0 40 KJAB COc1ccccc1CNC(=O)C[C@@H]1c2nc(NC(=O)c3c(F)cccc3F)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO 4222407 SQSWVPUDJDQJQU-IVIGHUFRSA-N 599.700 4.804 0 40 KJAB biogenic,in-vitro CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N(Cc3ccco3)Cc3cccs3)cc2c1 6196822 KOVUXZCXDCOOLI-NVQXNPDNSA-N 546.653 4.539 0 40 KJAB CCc1ccc(S(=O)(=O)c2nnn3c2nc(NCc2cccc(OC)c2)c2cc(Cl)ccc23)cc1 8604543 IMSHSBNUQUNIRH-UHFFFAOYSA-N 508.003 4.947 0 40 KJAB aggregator CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3OC)o2)cc1 9412736 AXPJYSMDJCKORO-UHFFFAOYSA-N 516.620 4.597 0 40 KJAB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(OC)c1OCCOc1ccc(C)c(C)c1 9730756 YCGBBSQSRYKNEB-XYGWBWBKSA-N 502.592 4.549 0 40 KJAB Cc1cccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2CCc2ccccc2)c1 11758359 AXJVXDRDAIEUGH-UHFFFAOYSA-N 515.664 4.985 0 40 KJAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 12469677 QDOKYLLBIHTXIS-UHFFFAOYSA-N 510.666 4.874 0 40 KJAB COc1ccc(-c2cc(C(=O)OCC(=O)N(C)CC(=O)Nc3ccccc3Cl)c3ccccc3n2)cc1 12532840 DXTZHMKLGLIGJH-UHFFFAOYSA-N 517.969 4.818 0 40 KJAB O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2 12546262 UJTZNMIJIBNPAR-UHFFFAOYSA-N 508.987 4.950 0 40 KJAB COc1ccc(CCN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(=O)Nc2ccc(F)cc2)cc1OC 12711017 FLHCQAXRIPTUJC-UHFFFAOYSA-N 519.529 4.690 0 40 KJAB COc1ccc(C)cc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCCC(C)C)c1ccc(C)o1 13031556 UVGIPWZIAQJKTM-HHHXNRCGSA-N 503.603 4.587 0 40 KJAB COc1ccc([C@H](C)NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 20011723 SRYAUABOGNOGIC-IBGZPJMESA-N 517.047 4.734 0 40 KJAB COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCCCC2 59247875 AUHONUWSJNVJMK-UHFFFAOYSA-N 561.321 4.776 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 59435488 HSGOLUZUESKRBB-UHFFFAOYSA-N 504.992 4.508 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Br)cc1F 59834414 TVDZICKSCRWMFC-IBGZPJMESA-N 541.826 4.779 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)c2)cc1 59923342 KOTIPMFXNBRFKY-LJQANCHMSA-N 528.030 4.610 0 40 KJAB COc1cc(/C=c2/s/c(=C\C(=O)C(C)(C)C)n(CC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c2=O)ccc1OCc1cccc(C(F)(F)F)c1 97982254 WVSXJXGDBMEECC-UYYPZKFASA-N 787.879 4.709 0 40 KJAB Cc1cc(NC(=O)CSCC(=O)N(c2ccc3c(c2)OCO3)[C@H](C(=O)NC2CCCCC2)c2cccs2)no1 100285516 BYSLAMLGLYWACI-SANMLTNESA-N 570.693 4.668 0 40 KJAB COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@@H]2C1=O 101099888 YOQWWPKGYIQFCM-KCHLEUMXSA-N 520.541 4.966 0 40 KJAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3ON2c2ccccc2)cc1Br 102759402 DZNKLUCVFPQYRL-XPWALMASSA-N 509.356 4.517 0 40 KJAB CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 107617831 LZAFCNZLJYOPEJ-UKTHLTGXSA-N 578.720 4.808 0 40 KJAB Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)c1 112256964 SJGJBWDJZSGDNK-UHFFFAOYSA-N 550.102 4.943 0 40 KJAB COC(=O)C1=C(C(=O)OC)[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)C2=C(OC(C)=O)C1 118936705 RUBFELASRWZCNJ-FQFYUBGDSA-N 540.653 4.971 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 222419302 AZXNZPDUBZOWOD-MHZLTWQESA-N 539.673 4.661 0 40 KJAB CSc1nnc(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccc(C)cc2)s1 222539474 CWAKEKDMCHJJGK-UHFFFAOYSA-N 503.458 4.709 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 222572466 HCZMEOGXYKXNKU-WNCULLNHSA-N 553.700 4.786 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 222597883 VQSAKJUIODOSID-ATIYNZHBSA-N 529.747 4.515 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 222718635 PEXOYPJLKJUFCV-DEOSSOPVSA-N 565.736 4.839 0 40 KJAB COc1cc(C)c([C@@H](C)NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)cc1C(C)C 223297482 MPVYREUFDVBFRS-QGZVFWFLSA-N 511.482 4.841 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 223345836 UPLMAUIKBZEFCZ-MRXNPFEDSA-N 548.920 4.746 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223428975 ZKSRTJJMCOPCMK-AREMUKBSSA-N 617.715 4.899 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 223447997 WYCCAMNRBDKACY-QFIPXVFZSA-N 602.153 4.886 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C)cc2C)c2ccc(C)c(Cl)c2)cc1 223607598 ITZJOZIVCZYRAX-UHFFFAOYSA-N 501.048 4.964 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223756446 USIFHAAIVCMJBM-PWUYWRBVSA-N 625.763 4.698 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(OC)cc1 223763014 CNBKFYPXFOMOBO-MUUNZHRXSA-N 504.627 4.639 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223811925 BJKAABSHOUEZCA-YICISRLPSA-N 594.550 4.645 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223969472 SFJMHKGRJJIMCF-MUUNZHRXSA-N 611.761 4.631 0 40 KJAB COc1ccc(CN(C(=O)CCCN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1 224072486 RFOWAMUHKWESID-FQEVSTJZSA-N 583.673 4.736 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 224143426 KYNCWLUEPHYZHP-VWLOTQADSA-N 572.127 4.796 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 224277884 DOAGDEGCOJZWLV-SANMLTNESA-N 527.731 4.716 0 40 KJAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1 224331990 GKQIAYAVYSSUMY-VSGBNLITSA-N 503.716 4.962 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 224339351 YTCHXHLMLUGVHY-HSZRJFAPSA-N 584.964 4.735 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 224688148 ZLTZGFDASVNTQP-MRXNPFEDSA-N 548.920 4.665 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 224717396 JVCPDNNAEYFXRD-JOCHJYFZSA-N 542.529 4.647 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2CN2CCCCC2)c2ccc(F)cc2)cc1 224821559 KRNRBXXSZFCJFE-UHFFFAOYSA-N 539.673 4.722 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 224979200 WHFBRYXWGZHJNE-FCHUYYIVSA-N 542.101 4.867 0 40 KJAB CCn1c(=O)sc2cc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)ccc21 225087167 ROASPJBUTQZNNU-UHFFFAOYSA-N 502.017 4.570 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 225134327 ZWGICEPFHTVERI-GOSISDBHSA-N 584.964 4.735 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 225356031 BLRSDGYPMFOCOJ-BJKOFHAPSA-N 581.735 4.540 0 40 KJAB CS(=O)(=O)N(CCCC(=O)NCCSCc1ccc(Cl)cc1Cl)c1ccc(F)c(F)c1 225463263 BNYMEELDRBFDKN-UHFFFAOYSA-N 511.443 4.867 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 225481824 RHWCNQDPECGNOU-VWLOTQADSA-N 565.736 4.839 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 225541359 UVRHPDVYFUZXPT-QDPGVEIFSA-N 611.736 4.823 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@]3(CCCN(CC(=O)Nc4cccc(C(F)(F)F)c4)C3)OC[C@@H]2CC(C)C)cc1 257319756 VTYLMJADAFCCGI-IGKIAQTJSA-N 567.674 4.923 0 40 KJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)N3C[C@H](C(=O)NCCc4ccccc4)Oc4ccccc43)cc2)cc1 260830849 UMLMTGLYCVLIOE-WJOKGBTCSA-N 583.710 4.516 0 40 KJAB O=C(NCc1ccccc1)[C@H]1CN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)c2ccccc2O1 260833603 ZVHYTWVYLWYDTF-MUUNZHRXSA-N 626.573 4.883 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 261100166 VVSYUPJWNGAGRC-ZTOMLWHTSA-N 600.181 4.978 0 40 KJAB COCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 408617738 IZDQHJBPWKOINQ-UHFFFAOYSA-N 550.464 4.594 0 40 KJAB CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 408630118 NYSOOMIYHHRIOW-UHFFFAOYSA-N 514.047 4.964 0 40 KJAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1N1C(=O)[C@H]2C[C@@H](C)CC[C@H]2C1=O 408647174 WPIBHIAHZXWQHT-NAYASGRBSA-N 539.426 4.642 0 40 KJAB CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2C)cc1 408661073 CYJAWLUFVNGLAB-UHFFFAOYSA-N 539.810 4.878 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C/c3cc(Br)c(N4CCCCC4)o3)c2=O)=N1 408861712 BUASJAKWRNCNDS-QXHVWWCLSA-N 614.562 4.933 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(Cl)c4)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 408919514 AGXBJLQYJXTJOK-DQARITGZSA-N 589.069 4.759 0 40 KJAB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(I)cc1 408933894 BYEBMLQKCTWCOX-UHFFFAOYSA-N 585.261 4.883 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OC)c4OCc4ccc(F)cc4)c(=O)n32)cc1OCC 408948434 ROHVMKMXKDELPY-BZQABXOYSA-N 618.683 4.542 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)OC)ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(C)cc1 409000419 YCZCEFNZINWDJW-LMSRTUJASA-N 577.058 4.807 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409025893 ZRSJNZDPMRGDMT-UHFFFAOYSA-N 538.544 4.955 0 40 KJAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 409027204 CCHAKFHIHRCEOZ-UHFFFAOYSA-N 512.031 4.795 0 40 KJAB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)c(Sc5nc(C)cc(O)n5)o4)c(=O)n32)cc1 409102373 SIOGFQJXOIZSDR-AGIMELGASA-N 657.568 4.506 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccc(C)cc2)cc1 409113586 DSASOXIJJPBMIZ-NRFANRHFSA-N 523.655 4.756 0 40 KJAB COc1c(Br)cc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2N2CCOCC2)C1=O 409205902 QOTXLECEHUXXKX-YBFXNURJSA-N 611.312 4.732 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(I)c1OC(C)C 409247110 GHQVCCPGALEEQX-LFIBNONCSA-N 505.374 4.550 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2cc(Cl)cc(Cl)c2)cc1 409319832 MJPFRKLYRAKWLD-UHFFFAOYSA-N 582.531 4.920 0 40 KJAB C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCC(=O)Nc2ccc(I)cc2)n1C 409343732 FFSSQEWOPRAHIB-LLVKDONJSA-N 590.274 4.948 0 40 KJAB CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl 409359087 MKZIXQSPEYVQAN-ZDUSSCGKSA-N 536.441 4.613 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc(I)c1OCC(=O)OC 409374444 PSSDLUZIXJWFRL-RGVLZGJSSA-N 638.480 4.842 0 40 KJAB CC[C@@H](C)Oc1c(I)cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1OC 409381347 LPPJWLZAKONWGQ-IIMQCXAKSA-N 558.438 4.526 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 409412101 RGIXOQOZLMPUCF-UHFFFAOYSA-N 521.620 4.849 0 40 KJAB COC(=O)c1ccc(C)c(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)c1 409412713 ZHQFNOFKFKMLMW-UHFFFAOYSA-N 507.395 4.922 0 40 KJAB COc1ccc([C@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)cc1OCc1ccc(C(C)C)cc1 524729547 YBFZQANFEJAKRF-QXGAZULMSA-N 639.749 4.845 0 40 KJAB biogenic COc1cc(CN2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OCCn1ccnc1C 585273290 ZBZDXXLNDHMRPQ-NDEPHWFRSA-N 514.066 4.955 0 40 KJAB CC1(C)NC(=O)N(CCCOc2ccc(CN3CCC[C@](O)(COc4ccc(Cl)c(Cl)c4)CC3)cc2)C1=O 585281076 VXHJTAAMZKVWRR-MUUNZHRXSA-N 564.510 4.889 0 40 KJAB CC(C)[C@@H]1C[C@H](c2ccc(Cl)cc2)CO[C@H]1c1cccc(OCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1 585292420 JDIRBJPBIWYUCZ-OIMINJBOSA-N 520.091 4.930 0 40 KJAB CN1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)CCOc2ccccc2Oc2ncccc2C1=O 643569360 DUYROKPENMTHIX-UHFFFAOYSA-N 509.990 4.655 0 40 KJAB CCn1ncc(C(=O)N2C[C@H](c3ccccc3OC)[C@@]3(C2)CN(C(C)C)C(=O)N3c2cccc(F)c2)c1C 643587147 XMTRVNNLLMKQPB-VAVYLYDRSA-N 519.621 4.688 0 40 KJAB Cc1c(CCC(=O)N[C@H](Cc2c[nH]c3ccc(O)cc23)C(=O)O)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 2138297 QRBQNYPWJFKFAB-RUZDIDTESA-N 542.588 4.966 0 40 KJAB biogenic O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N1CCN(c2ccccc2)CC1 2321563 JTHWHUYWBZNUIQ-UHFFFAOYSA-N 516.692 4.767 0 40 KJAB COc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(Cl)cc3)c3cc(OC)c(OC)cc3c2=O)cc1 2690813 GMXJVVRBHJVWEM-UHFFFAOYSA-N 506.942 4.550 0 40 KJAB O=C(COC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1 3262298 JWLIEDLWKUATEB-QHCPKHFHSA-N 551.423 4.993 0 40 KJAB COc1ccc(S(=O)(=O)N(C(=O)c2ccc(Cl)cc2)c2ccc3oc(=O)sc3c2)cc1OC 3653829 BPUSAGJPHUIZQV-UHFFFAOYSA-N 505.957 4.561 0 40 KJAB COc1ccc(CN(C(=O)CN2C(=O)C(=O)c3ccccc32)[C@H](C(=O)Nc2ccc(OC)cc2)c2cccs2)cc1 3773510 LSTMQPQFHODSGT-NDEPHWFRSA-N 569.639 4.703 0 40 KJAB CCOc1ccc(CN(Cc2ccco2)[C@@H](c2cc3cc(CC)ccc3[nH]c2=O)c2nnnn2CCOC)cc1 6197998 SYQJCZRGDURFLT-NDEPHWFRSA-N 542.640 4.507 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(Cc1cccs1)C(=O)CCC(=O)Nc1cc(C)on1 8676920 JBNBHQYADHGUKV-RUZDIDTESA-N 526.659 4.847 0 40 KJAB CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(NC(=O)c3ccc(OC)c(OC)c3)scc12 9381574 WMTAIGLOMJGIIM-UHFFFAOYSA-N 513.959 4.547 0 40 KJAB Cc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2csnn2)c2ccccc2Br)o1 12871044 KWDIXGPFFOEDGZ-OAQYLSRUSA-N 511.401 4.907 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccccc1F)N(Cc1cccc(OC)c1)C(=O)Cn1nnc2ccccc21 13024202 AJFKGYZSHLRGHU-MHZLTWQESA-N 517.605 4.654 0 40 KJAB CCc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)cc1 13028980 MXWIYGNEVQHGCQ-NDEPHWFRSA-N 511.626 4.886 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(Cl)c1 13032287 NGMSGAVDPPOTCR-VWLOTQADSA-N 506.006 4.870 0 40 KJAB C[C@H](NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 20012260 LBZQGNDXMIOGFX-KRWDZBQOSA-N 505.409 4.657 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)N[C@@H]1CCCc2ccccc21 20020886 PQFTXTHJORYKJS-HSZRJFAPSA-N 515.429 4.823 0 40 KJAB CS(=O)(=O)N(CC(=O)NCCSCc1ccc(Cl)cc1)c1cc(C(F)(F)F)ccc1Cl 20060876 SRFZNVAQAXXQTE-UHFFFAOYSA-N 515.406 4.828 0 40 KJAB CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCN(c3ccccn3)C[C@@H]12 33428994 JQFMYEZPWCCJHB-SQHAQQRYSA-N 516.443 4.813 0 40 KJAB CC[C@H](c1nnnn1C[C@H]1CCCO1)N(Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 33937028 QZTLTDIYTJIZNL-AOYPEHQESA-N 504.610 4.603 0 40 KJAB CCc1cccc2c1NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 57099735 IGYIBWZIXUAGJB-BAAZAXTHSA-N 512.009 4.917 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 58827128 AOSFQTMNINJOMQ-QAHUDSGCSA-N 515.034 4.897 0 40 KJAB O=S(=O)(Nc1ccc(Br)cc1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 59651111 PFAIBFFUKUIFKG-UHFFFAOYSA-N 552.291 4.875 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)cc2)c1 59882902 XVKVJEDLTQOWMW-UHFFFAOYSA-N 616.117 4.992 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc(C(F)(F)F)ccc1Cl 59887370 ZGOSTFDGJXWKSI-UHFFFAOYSA-N 561.991 4.564 0 40 KJAB COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 96114563 HNNWFYXKKDGTBC-KRWDZBQOSA-N 506.507 4.592 0 40 KJAB biogenic COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@@H](C(=O)NC3CCCC3)c3cccs3)n2)cc1OC 100276672 RHEGAUSHNZXAHA-HHHXNRCGSA-N 595.125 4.901 0 40 KJAB COc1cccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)c1OC 100363848 QGAIHSORFJTRRY-LJAQVGFWSA-N 541.652 4.668 0 40 KJAB Fc1ccccc1[C@H](c1nnnn1Cc1ccccc1)N1CCN([C@H](c2ccccc2F)c2nnnn2Cc2ccccc2)CC1 100435220 NHXNOURVOVVYTF-ROJLCIKYSA-N 618.696 4.531 0 40 KJAB O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 101086994 KSBUOAVGXJIOGO-KEZOAJOQSA-N 503.480 4.860 0 40 KJAB Cc1cc(Br)c(Cl)cc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 102087410 KZNZKOFUVOPGET-OPXVNJCFSA-N 513.819 4.768 0 40 KJAB CN(C)S(=O)(=O)N(Cc1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1)c1ccccc1F 113515378 UZTWYPKFQPQKGN-UHFFFAOYSA-N 536.094 4.955 0 40 KJAB O=C(COC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1)Nc1cc(C(F)(F)F)ccc1Cl 113564504 GZVQFUMNFAHIPK-SJORKVTESA-N 524.879 4.760 0 40 KJAB Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](COS(=O)(=O)O)[C@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)ccc12 150670666 ROFIGSQDRQGRFR-OACKYIMISA-N 730.700 4.701 0 40 KJAB biogenic,in-vitro CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 222599087 ZEMMMSHEPWERIP-DEOSSOPVSA-N 536.138 4.835 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 222636558 DYIVEIMHCGCOPC-MUUNZHRXSA-N 614.606 4.998 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c1 222645075 GWEWZQJUDYCJQX-NDEPHWFRSA-N 616.180 4.536 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c2ccccc2)cc1OC 222804187 NFXIMRZOFKRKGT-NRFANRHFSA-N 602.153 4.885 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 222863066 UVGQPUNSIFEBSF-MUUNZHRXSA-N 611.761 4.548 0 40 KJAB Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 223010544 QWZJYSDKXRNARQ-YTTGMZPUSA-N 583.754 4.713 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223114400 DOSICJBXBFNSJI-NDEPHWFRSA-N 549.737 4.526 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 223330261 AVMWBRPNOZOPAT-XMMPIXPASA-N 536.138 4.952 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)cc1 223383047 QDNPRTGYXYYSGN-POURPWNDSA-N 598.165 4.636 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 223515165 GSNCANZDPGYBBD-HHHXNRCGSA-N 600.579 4.608 0 40 KJAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCCOc2cccc(OC)c2)cc1 223757739 FPSVKLGTBDVWGS-UHFFFAOYSA-N 546.645 4.908 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 223913984 VYIAWXWDWXAYFL-MRXNPFEDSA-N 548.920 4.746 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 223936443 XGLJIKRKORIVMP-JOCHJYFZSA-N 586.552 4.896 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 224184146 LCSPEETWBOMCQW-SANMLTNESA-N 531.694 4.547 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 224354037 CVSVCJSXMVYHHK-WJOKGBTCSA-N 645.753 4.959 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)c1 224713500 LIZCZKPQZOMMHZ-QHCPKHFHSA-N 527.731 4.751 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)c1 224713688 YIHDGWKTRDSIFU-QFIPXVFZSA-N 616.578 4.903 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 224750407 FHSMQIMKQNDHLY-VWLOTQADSA-N 565.736 4.841 0 40 KJAB CCc1ccc(OCCNC(=O)CCCN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)cc1 224932593 LFZMTKDKCDJWKR-UHFFFAOYSA-N 507.867 4.951 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2cccnc2)cc1Cl 225238422 GABHCORDANXYRE-UIOOFZCWSA-N 533.057 4.991 0 40 KJAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NC[C@@H]2COc3ccccc3O2)cc1 225246938 WXLPXVPSJHOHNC-XMMPIXPASA-N 528.630 4.960 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(=O)OC)c2)cc1C 225284716 IQTSNYSJQLOTEC-VSGBNLITSA-N 555.660 4.729 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225291064 SXVSKLGEYXXUPQ-QHCPKHFHSA-N 598.549 4.744 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 225448437 VTUOIVOJRCXONJ-LJQANCHMSA-N 592.943 4.770 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225561697 DWLUTQMODLPOGG-PMERELPUSA-N 633.742 4.733 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 225609889 KBXNVXDWGAJVCE-NBGIEHNGSA-N 552.137 4.617 0 40 KJAB COc1ccc(-c2nnc(NC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccccc3)s2)cc1 225819714 IXTWYGKEJNKTPU-UHFFFAOYSA-N 559.467 4.810 0 40 KJAB O=C(NCCCNc1ccnc2cc(Cl)ccc12)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 226083590 CIZFCJCIYFQSOU-KRWDZBQOSA-N 565.921 4.670 0 40 KJAB COc1cc(Br)cc(C(=O)O)c1OCC(=O)N(Cc1ccccc1)Cc1cccc(F)c1 257264362 LUBANBMZUTWNIB-UHFFFAOYSA-N 502.336 4.903 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)c2cccc(Cl)c2)cc1 260768042 VWQMVGPPDSBGKV-JOCHJYFZSA-N 572.127 4.794 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)c1 260857365 HANIXFMVOSALOO-JOCHJYFZSA-N 586.552 4.895 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccccc2)cc1 260971091 MMONEHDKMWUBEJ-XZOQPEGZSA-N 553.700 4.915 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 260974618 NCFQKBQHMBGUHC-GJZGRUSLSA-N 566.910 4.884 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl 261004945 FVALBPFQMSYNEN-GOSISDBHSA-N 572.555 4.880 0 40 KJAB CS(=O)(=O)N(CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccccc1 261007087 REZXWONDRODHFS-SSEXGKCCSA-N 561.748 4.932 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 261018750 ICNGRINGJBSMGO-NJHZRGNWSA-N 609.789 4.805 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](CC)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 261021283 WDEMBZMTDCEXQZ-HOYKHHGWSA-N 572.555 4.880 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 261052027 MCVAXZIVFUHYAS-GIGWZHCTSA-N 625.763 4.698 0 40 KJAB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 408575691 PKHMWEVVPVHLCM-MUAVYFROSA-N 515.635 4.622 0 40 KJAB COC(=O)c1c(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCN(C)C2 408613729 XRLQSBSFVSCCMB-UHFFFAOYSA-N 555.722 4.788 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 408615931 DAYWCVVQYLBYJQ-UHFFFAOYSA-N 579.078 4.898 0 40 KJAB CCn1c2ccccc2c2cc(NC(=O)CN(c3ccc(Br)cc3)S(C)(=O)=O)ccc21 408629671 FXQFDISDIBNGOD-UHFFFAOYSA-N 500.418 4.982 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cc1Cl 408636185 XGKRQOLTUYNNHQ-SFHVURJKSA-N 560.038 4.507 0 40 KJAB CC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1 408637091 XKXTUSVFOQOKGB-UHFFFAOYSA-N 508.383 4.770 0 40 KJAB Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 408643344 PGEDSKIONSNESO-HNVLXTKVSA-N 509.389 4.595 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)ccc3OC)S(=O)(=O)c3ccccc3)cc2)cc1 408920615 KFRGTLGHDFAMIR-UHFFFAOYSA-N 595.699 4.647 0 40 KJAB COc1ccc([C@H]2NC(SCC(=O)Nc3ccccc3OC)=NC(C)=C2C(=O)Nc2ccccc2)c(OC)c1 408977173 HPPBRQSRFUNVEM-HHHXNRCGSA-N 546.649 4.997 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408994826 JQAFYKUPDFLRLT-ZHGFHMGHSA-N 566.679 4.984 0 40 KJAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12 409056750 IEJMLSTWDZKPKP-QQXSKIMKSA-N 511.603 4.846 0 40 KJAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(C)c2)cc1 409061115 VLJDSHFTCHOXBI-XYGWBWBKSA-N 502.592 4.730 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Br)c(I)o4)c(=O)n32)cc1 409080400 NOILLLHDFMNSND-IMEWXKHHSA-N 676.330 4.843 0 40 KJAB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N1CCN(Cc2ccccc2)CC1 409083650 VWVXJTTYMKGHAW-UHFFFAOYSA-N 576.944 4.638 0 40 KJAB CCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OCC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1 409089583 NBWNJFPDCIGKGK-ZSJKCPIUSA-N 615.546 4.757 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c(C(=O)OC)c4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409106025 QBAZCTLWQUUQMK-NULZLWRNSA-N 650.153 4.821 0 40 KJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 409116379 KCNWQBHPXHRADX-JOCHJYFZSA-N 507.656 4.974 0 40 KJAB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCCCC4)c4ccc(Br)cc34)N(CC(=O)OC)C2=S)cc1 409147068 UZILLWFVQZNGAU-YSMPRRRNSA-N 639.572 4.963 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cn(CC(=O)N4CCCC4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1 409157649 NENRZQBIUBDMKL-ZRXICNQRSA-N 616.743 4.513 0 40 KJAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccncc4)c(OC)c3)C2=O)cc1 409177186 CZLNKDLRLYLZEU-BUVRLJJBSA-N 503.580 4.907 0 40 KJAB Cc1ccc(OC[C@]2(O)CCCN(Cc3ccc(OCCn4c(=O)n(C)c5ccccc54)cc3)CC2)c(C)c1 585272398 IIMYPNQTDQFYDT-YTTGMZPUSA-N 529.681 4.832 0 40 KJAB C[C@@H]1COc2ccccc2C(=O)NCCCCC2(CCN(C(=O)c3cc(N4CCCC4)ccc3Cl)CC2)C(=O)N1 643560979 SDUKBFCJLNNDNZ-JOCHJYFZSA-N 567.130 4.660 0 40 KJAB CC(=O)N1CCCCCCCN(C2CCOCC2)Cc2cc(C(=O)NCCOc3ccccc3)ccc21 643578021 MZSLTHGEQPLMAT-UHFFFAOYSA-N 507.675 4.793 0 40 KJAB CC(=O)N1CCCN(C2CCOCC2)CCCN(C(=O)CCc2ccccc2Cl)Cc2ccccc21 643581148 AFXUZLOWBHKHSV-UHFFFAOYSA-N 512.094 4.929 0 40 KJAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N[C@H](C)COc2ccc(F)cc2Oc2ccccc2)CC(=O)N[C@@H](Cc2ccccc2)C1=O 1615107420 LYTHHNARQRVLDI-GWTOPCPNSA-N 696.776 4.659 0 40 KJAB O=C(CN1CC[C@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3)Nc1ccc(Cl)c(C(F)(F)F)c1 2037879201 FEWMODHFKFYHKZ-MLKSZZLFSA-N 647.138 4.978 0 40 KJAB 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C[C@@H](NC(=O)C[C@@H]1c2nc(-c3cccnc3)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO)c1ccccc1 4260548 LZLZXASCHMCHLP-WTRSAAFISA-N 505.684 4.888 0 40 KJAB biogenic,in-vitro CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)c(Cl)c2)n2c1C[C@@H](OC(=O)CN(C)C)C2 5664882 ZAQUAOCBNXNKTP-GOSISDBHSA-N 583.513 4.761 0 40 KJAB CCOc1cc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(CCCO)nn32)ccc1OCc1ccccc1 6144553 PRUGXOWKUZAQSJ-NDEPHWFRSA-N 540.624 4.503 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)C45CC6CC(CC(C6)C4)C5)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 8401163 KVMINULXBQZPBH-OMGJKJNHSA-N 612.748 4.929 0 40 KJAB CCOC(=O)c1sc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)sc2c1C 10007532 MDPOINMYPHBZIS-UHFFFAOYSA-N 507.659 4.516 0 40 KJAB CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)nc1-c1ccccc1 12700892 GNQQWODAOSKSKJ-KRWDZBQOSA-N 513.641 4.802 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 13494467 ZGEIKYMFVQRYEA-DEOSSOPVSA-N 504.635 4.830 0 40 KJAB 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503.580 4.961 0 40 KJAB CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2CC)cc1 409170728 XIUBHBRBWGZSMN-KRWDZBQOSA-N 516.067 4.637 0 40 KJAB COC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1 409198994 MVNJRVHKGNYBSC-UHFFFAOYSA-N 551.846 4.719 0 40 KJAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)C1=O 409235354 BLUBGSBRUXVCBU-YDZHTSKRSA-N 625.451 4.708 0 40 KJAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(Br)c(Cl)c1 409335752 XMQONGOCMFGLSA-UHFFFAOYSA-N 555.809 4.847 0 40 KJAB CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 409354295 BQUQVPWWRMBSAV-ZDUSSCGKSA-N 508.431 4.835 0 40 KJAB C[C@H](NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(Cl)c1)c1ccccc1 409389193 MXIRDCWBZMKXHK-IBGZPJMESA-N 548.492 4.761 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)c1 409409033 FXYSKRFTMZNSNZ-UHFFFAOYSA-N 506.365 4.961 0 40 KJAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 514405133 QJHWJWSFWQFDIK-AWEZNQCLSA-N 562.299 4.971 0 40 KJAB CC(=O)NC1CCN(C(=O)C[C@]2(COc3cc(C)c(Cl)c(C)c3)CN(Cc3ccc(C)cc3C)CCO2)CC1 585283777 CKBQRWCORXPMMC-WJOKGBTCSA-N 556.147 4.741 0 40 KJAB CCOc1cccc(C(=O)N2CCO[C@](COc3ccc(F)cc3)(CC(=O)N(C)Cc3ccccc3)C2)c1 585284301 HTIZANBOVMUNNT-SSEXGKCCSA-N 520.601 4.563 0 40 KJAB CN(C)CCCOc1cccc(C(=O)N2CCC3(CCCCCc4ccccc4OCCNC3=O)CC2)c1 643565067 CMJRXUXJPTYJKN-UHFFFAOYSA-N 521.702 4.551 0 40 KJAB O=C1[C@H]2N=NN(CC(=O)N3N=C(c4ccc(Br)cc4)C[C@H]3c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 648050 IESCYUIWYRKYHR-HVCNVCAESA-N 591.853 4.774 0 40 KJAB CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)N(Cc1cccs1)C[C@H]1CCCO1 782199 BEQRGPOLDDNPNZ-HYBUGGRVSA-N 506.676 4.800 0 40 KJAB Cc1ccccc1[C@H](C(=O)NCc1ccccc1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 1372524 AHVFWJJGBYCAJJ-MUUNZHRXSA-N 509.635 4.888 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3sccc3C)c2=O)=N1 2085122 UGGJYLRJTWAULL-YJADQXIJSA-N 506.052 4.897 0 40 KJAB CCOc1ccc(CCNC(=O)c2c(N)n(Cc3ccccc3OC)c3nc4ccccc4nc23)cc1OCC 2253428 NVKHDJIUSQRWTF-UHFFFAOYSA-N 539.636 4.994 0 40 KJAB O=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3308451 MSKXMNPZCWWIJZ-UHFFFAOYSA-N 535.647 4.815 0 40 KJAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)sc(C(C)=O)c1C 3361725 AXMLBXSOSUOARS-UHFFFAOYSA-N 568.991 4.685 0 40 KJAB O=C(C=Cc1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2O)cc1)c1ccccc1 4266144 QAXATWIPRIKCNJ-DHVWUDKMSA-N 618.623 4.597 0 40 KJAB CC1(C)O[C@H]2[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H](n3cnc4c(N)ncnc43)[C@@H]2O1 4823725 WEESNKCZWANQSJ-ASBHYVTHSA-N 549.631 4.835 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3I)c2)cc1 5940485 RKTFUVHPBANQND-UHFFFAOYSA-N 552.390 4.752 0 40 KJAB COC(=O)c1ccccc1-c1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)o1 8400221 QFAUCCBXXMAXLN-ABBNRAPFSA-N 581.675 4.982 0 40 KJAB C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(NC(=O)c4ccccc4)cc3)c2)C[C@H](C)O1 8450086 OEPNSDDWNOXKGO-ROUUACIJSA-N 528.030 4.643 0 40 KJAB COc1ccc(CN(C(=O)CN2C(=O)C(=O)c3ccccc32)[C@H](C(=O)Nc2ccc(N(C)C)cc2)[C@@H]2CC=CCC2)cc1 8695764 FNKPZLHSSLZVMX-XJFCNFDWSA-N 580.685 4.683 0 40 KJAB CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4cccc(Br)c4)c(C)c3)nn12 8832740 JVDCWCMKMWXIQH-UHFFFAOYSA-N 501.435 4.613 0 40 KJAB O=C1S[C@@H](Nc2ccccc2)C(=O)N1Cc1ccc(CN2C(=O)S[C@@H](Nc3ccccc3)C2=O)cc1 9380754 FPKQKIADBHIRDF-FGZHOGPDSA-N 518.620 4.954 0 40 KJAB CCN(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 12533045 FMGKTVMQNIGANZ-JOCHJYFZSA-N 518.749 4.876 0 40 KJAB CCOC(=O)C1CCN(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccco2)CC1 15276501 XSXJFILTQNWNSR-UHFFFAOYSA-N 510.660 4.778 0 40 KJAB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)Nc1ccc(C)c(C)c1)c1ccccc1 59490177 SOVPODFFQZYDRX-UHFFFAOYSA-N 503.418 4.909 0 40 KJAB Cc1c(Cl)cccc1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)cc(Cl)c1 59671437 NRNDDRKFJRKPHS-MSOLQXFVSA-N 518.875 4.669 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@@H](C)c2cccc(Br)c2)cc1OC 59834869 OLMOVLHHFRJLAN-IBGZPJMESA-N 561.498 4.577 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)c(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1 59886404 KZFRRNJSELLAJG-UHFFFAOYSA-N 616.117 4.992 0 40 KJAB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O 79221502 IDSULYHNJGZXKY-QBRMIADOSA-N 706.877 4.631 0 40 KJAB biogenic CCOC(=O)C1=C(C)C2(Br)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3C1(C)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 95100728 JRKPKOCHWCHIKT-UHYRIJSISA-N 646.321 4.952 0 40 KJAB COC(=O)Cc1csc(NC(=O)/C=C/c2cc(Br)c(OCc3ccccc3F)c(OC)c2)n1 97942965 MMYNZXSDKGJELF-BQYQJAHWSA-N 535.391 5.000 0 40 KJAB Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)Nc1ccc(Cl)cc1C(=O)O 100008581 RGSAQGQHAAPACN-UHFFFAOYSA-N 536.629 4.764 0 40 KJAB CC(=O)c1ccc(N(C(=O)Cn2nnc(-c3ccccc3)n2)[C@H](C(=O)NC2CCCCC2)c2ccc(C)o2)cc1 100285477 YLZLJOANFMJHJH-NDEPHWFRSA-N 540.624 4.668 0 40 KJAB Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100398580 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O=C(CN1C(=O)S/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1=O)N1CCOCC1 214651020 OOZYLOMTZFKZGM-WGOQTCKBSA-N 511.603 4.738 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 222577576 JRPPFJCDXANSHP-SETSBSEESA-N 579.763 4.964 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)N(C(=O)c3ccc(OC)cc3)CC4)CC2)cc1Cl 222601226 KPQPLSIJSOJQSW-UHFFFAOYSA-N 598.121 4.990 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O 222826459 KZKATCYZBPMBBQ-VWLOTQADSA-N 552.458 4.756 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 222880206 UNXKCNFODHRDDD-OAHLLOKOSA-N 566.017 4.596 0 40 KJAB CCOCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223112383 ZSMNOPXXLCKAFO-WJOKGBTCSA-N 626.219 4.896 0 40 KJAB O=C(NCc1ccncc1)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223183367 DSCLJLBDNBGMJG-JGCGQSQUSA-N 614.743 4.551 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223196150 WYILKMCGEZIGSF-AREMUKBSSA-N 575.653 4.556 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 223253649 XAEPAIXXNIOZBO-AREMUKBSSA-N 529.747 4.880 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O 223413076 VWIXMQBKJJDOHB-QGZVFWFLSA-N 518.441 4.703 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223959418 WVBOAPKFMBPSEX-LJQANCHMSA-N 542.529 4.710 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1 224061981 AOURPAFHFZCFIV-INIZCTEOSA-N 590.957 4.898 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1C 224153159 WZSVWPGVVAVWRY-NRFANRHFSA-N 580.589 4.944 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 224273738 HIGCNZMQBFQREO-RUZDIDTESA-N 572.127 4.878 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2nnc(SCC(C)C)s2)S(=O)(=O)c2ccc(C)cc2)cc1 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550.558 4.676 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc(I)c1OC 409272590 NLGKTYOUOANVDG-VCHYOVAHSA-N 552.390 4.600 0 40 KJAB Cc1nc2ccc(C(=O)N3CCO[C@](COc4ccc(Cl)c(C)c4)(CC(=O)N4CCCCC4)C3)cc2[nH]1 585284119 HCVYBPSSTJWEPA-MUUNZHRXSA-N 525.049 4.526 0 40 KJAB CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc(OCCO)cc1 604403957 FVUGYJUHGLDNCG-MLEOTOBYSA-N 633.742 4.699 0 40 KJAB biogenic CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N1CCN(CCn2c(C)ccc2C)CC1 604405860 SLLJRJTUYIIPAY-AVFXGLFGSA-N 687.882 4.952 0 40 KJAB biogenic COCCN1CCCCCN(C(=O)Cc2ccc3c(c2)OCO3)[C@@H](CC(C)C)COc2ccccc2C1=O 1615110910 FCDYMVWEOLRDEP-DEOSSOPVSA-N 524.658 4.553 0 40 KJAB CC(=O)N1CC[C@H]2CC[C@@H](CN(C(=O)CCCc3ccncc3)Cc3ccccc31)N2Cc1cccnc1 2037942984 WHWFASVROAXTJK-WDYNHAJCSA-N 511.670 4.618 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(C(=O)c1snc(C(=O)NC2CCCCC2)c1N)c1ccc(Cl)cc1 906668 OBMITNJTHVDSDI-INIZCTEOSA-N 532.110 4.925 0 40 KJAB CCOc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCc1ccco1)c1cccs1 1339394 BQUDWGQMUIMQAN-SANMLTNESA-N 515.595 4.575 0 40 KJAB CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C2=C(N=3)c3ccccc3CC2)cc1 2156828 RIBSFNYSIVNNTB-HRIDGTDGSA-N 524.642 4.735 0 40 KJAB CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2-c2nc3ccccc3s2)C1 3007328 YSZNPQGDACSHIL-UHFFFAOYSA-N 566.730 4.966 0 40 KJAB Cc1cccc(C)c1-n1c(SCC(=O)c2nnc(-c3ccccc3)o2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 3282283 NSAFMYKESNGSJE-UHFFFAOYSA-N 574.688 4.826 0 40 KJAB O=C(CSc1nc2ccccc2s1)Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1 3668805 UUNUDHSFGBWFNF-UHFFFAOYSA-N 516.695 4.588 0 40 KJAB COc1cc(OC)cc(N2C(=O)N(Cc3cccc(Br)c3)c3ccccc3S2(=O)=O)c1 9319350 BPTFQCKOESSDBN-UHFFFAOYSA-N 503.374 4.802 0 40 KJAB COC(=O)c1ccc(-c2csc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)n2)cc1 9404928 ORFDLWSWRRQVQG-UHFFFAOYSA-N 507.593 4.958 0 40 KJAB CCOC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccc(OC)cc2)c1 9934185 QAQBIORZEIPMSY-RUZDIDTESA-N 515.566 4.547 0 40 KJAB O=C(CCC(=O)OCCCc1ccccc1)NC(=S)Nc1ccc(OCCOc2ccccc2)cc1 12137330 VYKYQPGDBKNOIC-UHFFFAOYSA-N 506.624 4.914 0 40 KJAB COc1ccc(CNC(=O)[C@@H](c2ccccn2)N(C(=O)c2csnn2)c2cccc3ccccc23)cc1 12870696 VTXBJCKBIATXFA-AREMUKBSSA-N 509.591 4.799 0 40 KJAB CCc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cc3)C2=O)cc1 13149304 JYHWXISYTORGRY-UHFFFAOYSA-N 529.040 4.643 0 40 KJAB Cc1ccc([C@@H](C(=O)NCc2ccc3c(c2)OCO3)N(C(=O)c2ccc3c(c2)OCCO3)C2CCCC2)cc1 13496066 WNCFJJHUBOWYEH-LJAQVGFWSA-N 528.605 4.937 0 40 KJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1NS(=O)(=O)c1ccccc1 13680759 QMNBRUOXAGYVJT-UHFFFAOYSA-N 527.668 4.613 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 20016414 NCHDNRJHENXQKJ-VIFPVBQESA-N 504.836 4.692 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1ccc(Br)c(C)c1)S(=O)(=O)c1ccccc1 20233914 FKCDFBDFPXNAGF-UHFFFAOYSA-N 503.418 4.990 0 40 KJAB COc1ccccc1NC(=O)CSc1ncc2c(n1)-c1ccccc1N(Cc1ccccc1)S2(=O)=O 20982407 RHJKKMVNUMWAKO-UHFFFAOYSA-N 518.620 4.592 0 40 KJAB COc1ccccc1[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1)N1CCCC1 23079049 FRNUVKBVOALBDF-RUZDIDTESA-N 511.619 4.510 0 40 KJAB COc1cccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccc(C)c(C)c2)c1 27583306 QSXUXYLDEHEBSN-UHFFFAOYSA-N 520.611 4.558 0 40 KJAB CCOc1ccc([C@@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 30757754 ARVLVTXWZBOVMM-OAQYLSRUSA-N 526.655 4.792 0 40 KJAB COc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccc(Cl)cc3C)n2C)C(C)C)cc1 33553132 ZSEPTEZBEWQECC-NRFANRHFSA-N 502.040 4.643 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)c1 59882492 YPICSGINNWWJCA-UHFFFAOYSA-N 616.117 4.992 0 40 KJAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 59922877 WSOMXZQCEOMUFH-UHFFFAOYSA-N 620.071 4.888 0 40 KJAB CCCOc1ccc([C@H]2CN3C(=O)CN(CCCn4ccnc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC 70701058 CGKDLWQKAKURCT-QNLPTKCRSA-N 555.679 4.674 0 40 KJAB biogenic CC(=O)N1CCc2c(sc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)c2-c2nc3ccccc3s2)C1 97957560 UEFXRPTYDOSRMK-UHFFFAOYSA-N 530.631 4.835 0 40 KJAB COc1cccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSC2=NN3CCCC(=O)N=C3S2)c1OC 97963610 WORKXNSAJIGNCZ-LJQANCHMSA-N 602.536 4.873 0 40 KJAB COc1ccc(CCNC(=O)CSc2nnc(NC(=O)c3c(-c4ccccc4Cl)noc3C)s2)cc1OC 97987880 AKXJWKLHJBQNGJ-UHFFFAOYSA-N 574.084 4.875 0 40 KJAB O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 100096611 DJRHDHBURYJUCD-MHZLTWQESA-N 562.047 4.865 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3ccc(F)c(Cl)c3)[C@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)cc1 100288963 DCRABTAAETZZAG-MHZLTWQESA-N 563.033 4.980 0 40 KJAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(c2nc(O)c3nnn(Cc4ccc(Cl)cc4Cl)c3n2)CC1 100446506 BPTQXQSYSAFJAT-UHFFFAOYSA-N 587.411 4.869 0 40 KJAB Cc1ccc(S(=O)(=O)NC(=O)NCc2c(Cl)cccc2O[C@@H]2C[C@]3(C(C)C)CC[C@]2(C)O3)cc1 100941307 OPXMGVHZCQCBFH-VJTSUQJLSA-N 507.052 4.952 0 40 KJAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)n2N)cc1OC 100977413 DBVYXKGIVRZLID-UHFFFAOYSA-N 532.651 4.992 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1Br 102888912 ONBSCIKRBVPWBV-XUJYPJAKSA-N 587.426 4.781 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(COc4ccc(F)cc4F)c3)c(=O)n2[C@H]1c1ccc(F)cc1 103252627 DQQJRBJHGJMXCH-GKTKDVHMSA-N 594.611 4.803 0 40 KJAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@@H](CCSC)NC(=O)c1ccc(OC)cc1 108082369 MFSCCVQJIIYYHO-LJQANCHMSA-N 564.133 4.924 0 40 KJAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc(F)cc1 112257059 SGBTVBLCTAZOKI-UHFFFAOYSA-N 584.489 4.574 0 40 KJAB CCOC(=O)c1c(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)sc2c1CCCC2 138058339 DUGPAEXWILWCHN-HMAPJEAMSA-N 503.649 4.981 0 40 KJAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 216374327 RQFVMOHVLJHUAQ-UHFFFAOYSA-N 566.101 4.705 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 222421745 WONREXSQPJLKCX-NDEPHWFRSA-N 535.710 4.831 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 222488412 NVGABPDLCOUAOG-YIXXDRMTSA-N 545.746 4.580 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC)S(C)(=O)=O 222686973 SJBBTCYPKPVWTQ-MHZLTWQESA-N 630.605 4.780 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 222687675 SIPGGUYHIPZXRD-IBGZPJMESA-N 548.492 4.660 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 222771229 CFOKARFSWDXLFU-FQEVSTJZSA-N 578.946 4.753 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223068930 WPEOUPZQBGNAGP-QHCPKHFHSA-N 611.761 4.548 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 223207317 UPEBXTLWDQMZLU-FQEVSTJZSA-N 522.111 4.563 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 223262959 GCDQRSDMVYJFJW-GDLZYMKVSA-N 549.737 4.626 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 223332976 FKZHNMIJNHFJMP-PDDLMNHVSA-N 563.764 4.933 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 223333993 VLEKNAMIAOXUIA-DEOSSOPVSA-N 544.117 4.981 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223347688 LTPMNDOBPUAQAZ-VAVYLYDRSA-N 607.773 4.825 0 40 KJAB O=C(NCCc1ccccc1)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223370759 PLZMEBRKMIGLPI-UMSFTDKQSA-N 662.208 4.869 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 223403603 SYSMMMYRVNAFNR-OAHLLOKOSA-N 566.910 4.886 0 40 KJAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 223472219 WGCXPCVJEPFSMC-AREMUKBSSA-N 556.128 4.748 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 223554522 XJWHSKNPUWGCFN-NRFANRHFSA-N 561.626 4.763 0 40 KJAB 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CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 223941660 OFSRXVAQYSATFU-QFIPXVFZSA-N 586.552 4.896 0 40 KJAB Cc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 224080427 PHXCQPHKTSMCKV-VWLOTQADSA-N 547.721 4.709 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 224139876 FXIOMRGCQWPEFI-AREMUKBSSA-N 527.731 4.616 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 224600715 PGRLHVDELKDCCS-LJAQVGFWSA-N 583.726 4.547 0 40 KJAB Cc1ccc(C)c(N(CCCC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 224695057 XQNYLZTUKPPUPS-NRFANRHFSA-N 566.562 4.554 0 40 KJAB CCOc1ccccc1N(CC(=O)NCc1ccccc1CN1CCCC1)S(=O)(=O)c1ccc(C)cc1 224763211 VHVWPAANOWVDQB-UHFFFAOYSA-N 521.683 4.501 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 225047958 YRJNMZUXMNTBBV-VWLOTQADSA-N 548.149 4.979 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 225085359 JUQQGZUXFQJJDZ-HHHXNRCGSA-N 539.673 4.663 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 225128315 DRARQDADVZEMTN-XMMPIXPASA-N 522.111 4.528 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 225175281 CUQKAAGNOVNXDB-DEOSSOPVSA-N 553.700 4.971 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225200667 JETVMOXOEKBXBU-DEOSSOPVSA-N 568.111 4.510 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 225214882 PIQLQCVKDFYFHL-HHHXNRCGSA-N 561.720 4.637 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 225228356 FSXGPQAPJRMZSU-HHHXNRCGSA-N 572.127 4.878 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225291959 XMFYCPYWQGBZNN-DEOSSOPVSA-N 612.576 4.787 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 225409449 JTAPZGUUYLVSEL-GDLZYMKVSA-N 599.725 4.762 0 40 KJAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 225438749 FDSZIBHRUPJUNZ-NDEPHWFRSA-N 549.737 4.875 0 40 KJAB Cc1c(Cl)cccc1N(CCCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)S(C)(=O)=O 225505474 ZOBSWYPUNFBPNF-UHFFFAOYSA-N 528.074 4.806 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 225609845 MSVZHOVKQGYAEQ-NBGIEHNGSA-N 552.137 4.617 0 40 KJAB CNc1nc(-c2ccc(OC)c(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(Br)cc4)C3)c2)cs1 226077325 GYARWYSUHBHNJW-INIZCTEOSA-N 565.515 4.662 0 40 KJAB C/C=C(/C)C(=O)O[C@@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc(OC)c(OC)c2OC)C[C@H](C)[C@]1(C)O 238774467 RHABJANPSGWEFC-UVVFLPSSSA-N 530.614 4.899 0 40 KJAB biogenic,in-vitro COCCn1c(C)cc(CN2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c1C 257274700 NMFMHCVXNVOBBO-SSEXGKCCSA-N 545.168 4.538 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](CC)C(=O)NC(C)C)c2ccc(F)cc2)cc1 260705112 IDRVEICUPWMFPF-GDLZYMKVSA-N 583.726 4.794 0 40 KJAB COc1ccc(CNC(=S)Nc2nc(N3CCc4ccccc4C3)cc(N3CCC[C@H](C)C3)n2)cc1 260723052 WKTYTFKBVGPIJC-FQEVSTJZSA-N 502.688 4.771 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O)[C@H](C)C(=O)NC1CCCCC1 260765255 FESCYFQODPYWOB-OAQYLSRUSA-N 534.122 4.589 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc4c5c(cccc35)CC4)Oc3ccc(C)cc32)cc1 260846328 MGQMYXVGLWWCQE-HHHXNRCGSA-N 514.603 4.850 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1OC 260886887 PRSCUZRZUNXELP-AREMUKBSSA-N 636.598 4.941 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 260940480 IPBSEPGROTVWMD-VXKWHMMOSA-N 572.127 4.876 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 260941289 RWJUCMLJZRFGEQ-OAQYLSRUSA-N 578.573 4.698 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 260974383 AHVZWAKGUUIKKD-IDISGSTGSA-N 574.118 4.800 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1C)S(C)(=O)=O 260986071 OYSNPLWMYDMWTK-GCJKJVERSA-N 542.529 4.790 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 260994604 DFOHDGNRLFSZEB-VIZCGCQYSA-N 563.764 4.933 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 260997923 REDMSJQPKYRLSA-VXKWHMMOSA-N 602.153 4.885 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 261086675 SEUYMJZKCPHAPU-IDISGSTGSA-N 618.569 4.909 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 261103356 WMXXLSUUWIRQAT-VXKWHMMOSA-N 616.578 4.985 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 261116587 YQNYSSASAZWLHV-AMGIVPHBSA-N 658.615 4.541 0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408611354 TZESZGOSXIZNRA-UHFFFAOYSA-N 549.052 4.807 0 40 KJAB CCOc1ccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408613778 YDWHXNNBGKTMEI-UHFFFAOYSA-N 504.649 4.527 0 40 KJAB COc1ccc(Cl)cc1-c1nc(S/C(=C/c2ccc(OCC(=O)O)c(Br)c2)C(=O)O)n[nH]1 408632908 UZDURCRCDBIUCL-FRKPEAEDSA-N 540.779 4.577 0 40 KJAB COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)cc1 408645531 LAPMLPWHUIXACG-UHFFFAOYSA-N 504.539 4.783 0 40 KJAB CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1 408659411 SIHPXNRASUFHCF-OAQYLSRUSA-N 516.550 4.581 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 408703152 PEYMFSVALBHERG-UHFFFAOYSA-N 586.091 4.567 0 40 KJAB Cc1c(I)ccc(NC(=O)[C@@H]2CSCN2C(=O)OCc2ccccc2)c1Cl 408736697 FSYBIYJGEFETAV-INIZCTEOSA-N 516.788 4.903 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)cc2)n2c(s/c(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)c2=O)=N1 408829718 KLRKRQSCDDTOPA-SCRHHBKZSA-N 608.503 4.953 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 408862376 IZZWGIBPTFPEKM-ZTJHJZSNSA-N 723.598 4.864 0 40 KJAB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(Cl)c(OC)c(OC)c3)c(=O)n21 408959028 YAIHXJMCVRTMMR-GSOQPGDSSA-N 621.937 4.629 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\C=C\c4ccccc4)c(=O)n32)c(OC)c1 408976812 GQOCBQDOZAIAQI-SOMGZTKXSA-N 537.641 4.556 0 40 KJAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCCSCc1c(F)cccc1Cl 409027411 DBSMDTNHKCWIJI-UHFFFAOYSA-N 511.015 4.863 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cn(Cc4ccccc4F)c4ccccc34)c2=O)=N1 409033906 GLJUJBHXSIVHFH-HRIDGTDGSA-N 551.643 4.940 0 40 KJAB O=C(Nc1ccc(Br)cc1F)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 409050823 AOTICGCIAODADZ-UHFFFAOYSA-N 510.212 4.934 0 40 KJAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4C(=O)OC)o3)C2=O)cc1 409104381 YPEVNVDTYHGYPT-HYARGMPZSA-N 506.536 4.807 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nccc(C)n4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 409269333 BKULQDYJXARARA-LTHLYLQDSA-N 640.743 4.795 0 40 KJAB CCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1I 409385240 IFJQNDPDVXBOMU-ODLFYWEKSA-N 674.298 4.916 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc(OC)c3OCc3ccccc3F)C2=O)o1 409398869 FHYXASBIHYEZQY-GRSHGNNSSA-N 514.893 4.539 0 40 KJAB COc1ccc(Cc2nc(N(C)CCc3ccccc3)ncc2C(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1 585265741 RSDZBDIPKLIKNV-UHFFFAOYSA-N 595.519 4.636 0 40 KJAB CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2OC)C(=O)c2cnccn2)cc1 921394 OPIMNBPAILVORP-HHHXNRCGSA-N 502.615 4.717 0 40 KJAB CCCCSc1nnc2c(n1)O[C@H](c1cc(OC)c(OC(C)=O)c(OC)c1)N(C(C)=O)c1ccccc1-2 2094394 FIGVMYUKTXWCAJ-RUZDIDTESA-N 524.599 4.817 0 40 KJAB COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 2447000 GUEROOPYNWBSKO-UHFFFAOYSA-N 518.595 4.665 0 40 KJAB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)[C@@H]4CC(=O)N(c5ccc6c(c5)OCCO6)C4)cc3)sc2c1 2627504 OAAQAHFPUIQVND-LJQANCHMSA-N 543.601 4.578 0 40 KJAB Cc1cc(I)ccc1NC(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 3265244 XIQIGXOGVSSYQM-LWYUSKRHSA-N 532.216 4.815 0 40 KJAB COc1ccc(CC(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2cccc(C(F)(F)F)c2)cc1 3632611 HUHJGOPJEQVBKL-UHFFFAOYSA-N 581.620 4.835 0 40 KJAB CCOC(=O)CSc1nnc(N(C(=O)OCc2ccc(F)cc2)C(=O)OCc2ccc(F)cc2)s1 4110153 NYYYVVKCCDQPMD-UHFFFAOYSA-N 523.539 4.952 0 40 KJAB Cn1c(SCC(=O)N(CC(=O)NC(C)(C)C)c2ccc(F)cc2)nnc1-c1ccc(C(C)(C)C)cc1 6075518 UBKAOEPGZJNNIB-UHFFFAOYSA-N 511.667 4.959 0 40 KJAB Cc1ccc2nsnc2c1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O 6410242 DAVBQBRRQVDEMU-UHFFFAOYSA-N 548.646 4.578 0 40 KJAB CN(C)c1ccc(NC(=O)[C@@H](c2ccc(F)cc2)N(Cc2ccc(F)cc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 8695737 DHKZPTGDAGWSHA-SSEXGKCCSA-N 582.607 4.969 0 40 KJAB COCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3C)N2C1=O 8790345 XJODPMURFNAADD-XTEPFMGCSA-N 522.605 4.726 0 40 KJAB biogenic O=C(COc1ccc(N2C[C@@H](C(=O)NCc3ccccc3)CC2=O)cc1)Nc1ccc(Cl)c(Cl)c1 9233835 QXSGPTJJGLNPKU-SFHVURJKSA-N 512.393 4.680 0 40 KJAB CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1 12713825 VFPITIPICXBNGU-RUZDIDTESA-N 505.644 4.576 0 40 KJAB Cc1nc2sc3c(=O)n(-c4cccc(Cl)c4)c(N4CCN(C)CC4)nc3c2c2c1COC(C)(C)C2 13817430 KCVXUYHWCFSRDY-UHFFFAOYSA-N 510.063 4.560 0 40 KJAB COC(=O)c1cc2cc(NC(=O)CN(C3CCCCC3)S(=O)(=O)c3ccc(C)cc3)ccc2s1 20010532 NWMZDQNIASFMJC-UHFFFAOYSA-N 500.642 4.958 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(OC)cc2)Cc2ccccc2)cc1Cl 20015869 MXIZDLULPZBQEU-LJQANCHMSA-N 517.047 4.816 0 40 KJAB CSc1cccc(NC(=O)c2cc3ccccc3o/c2=N\NS(=O)(=O)c2ccc(Cl)cc2)c1 20323628 DANKDFUMLZJYKB-RWEWTDSWSA-N 500.001 4.855 0 40 KJAB CC[C@@H](c1nnnn1C[C@H]1CCCO1)N(CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 33937038 VFFBMIIEMFGLDL-VPUSJEBWSA-N 500.647 4.506 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1Cl 59930261 MGIMPQAOZOYGTL-MBSDFSHPSA-N 547.073 4.523 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2cc(Cl)ccc2C)cc1 60028224 GNWGNEROBCMMKW-UHFFFAOYSA-N 585.107 4.987 0 40 KJAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)NCCC(=O)O)c(C)c3cc2c1C 70707020 TVHPPFMRSDWPCF-AREMUKBSSA-N 571.630 4.505 0 40 KJAB biogenic COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CCC3)c1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc12 96116181 KSWCBOFSTRPINJ-JOCHJYFZSA-N 523.541 4.827 0 40 KJAB biogenic CCOC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1OCC 97960156 PRFCRADYSZLLHZ-VCHYOVAHSA-N 537.794 4.536 0 40 KJAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O 97980210 OCEZGRGHGXJHGT-CHUMBBMLSA-N 539.592 4.939 0 40 KJAB COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)CNC(=O)c2cccs2)c2ccc(C)cc2C)cc1OC 100414569 RISFBEJNHQKALA-AREMUKBSSA-N 537.682 4.801 0 40 KJAB CCc1ccc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2CCCC(=O)NCCc2ccc(OC)c(OC)c2)OCO4)cc1 102755681 TXKWIFNPTYNPIM-UHFFFAOYSA-N 632.739 4.575 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cccc(OC)c3)n2CCc2ccccc2)c1 102999200 ZQBCLTAAAMXOME-UHFFFAOYSA-N 579.748 4.958 0 40 KJAB O=C(CSc1nnc(Nc2ccccc2F)s1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 103005225 STYFXMFXQAPEIP-BOPFTXTBSA-N 533.607 4.505 0 40 KJAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)OCC(=O)Nc5ccc(Cl)c(S(=O)(=O)N6CCOCC6)c5)(C4)C2)C3)cc1 103017650 FGEUIDBTDLWLHD-XICVLRSMSA-N 587.138 4.689 0 40 KJAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C2CCCC2)cc1S(=O)(=O)N1CCOCC1 103062870 UVXPPWDMFLQDNK-GOSISDBHSA-N 591.155 4.614 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(COc4ccc(F)cc4F)c3)c(=O)n2[C@@H]1c1ccccc1 103252602 GBIHDHYZDOILON-JBDHCHCMSA-N 576.621 4.664 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 222478482 FOSLUFXEAGLMRF-NRFANRHFSA-N 562.054 4.765 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 222546423 DJIMFLGMDXYHRT-JOCHJYFZSA-N 542.101 4.624 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)c(C)c1 222576801 FMPXRRPEHUUGPZ-XMMPIXPASA-N 513.407 4.662 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 222807474 SRYXIWBCANOMDX-HHHXNRCGSA-N 616.578 4.985 0 40 KJAB CSc1nnc(NC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)s1 223163686 HHBDRKOPXKAMJI-UHFFFAOYSA-N 503.458 4.785 0 40 KJAB C[C@H](NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCC2 223176405 SHIQBOJMJZLMHY-SFHVURJKSA-N 560.457 4.853 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 223192211 LNJFCCRNJFXMKP-NHCUHLMSSA-N 566.562 4.636 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 223279751 MUAQALHFDJKGBH-FUFSCUOVSA-N 549.737 4.624 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 223490441 PMYAMBWDEBUBIX-XMMPIXPASA-N 581.735 4.541 0 40 KJAB CCCc1ccc(OCCNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 223563881 YBIGDYGLTOLMTO-UHFFFAOYSA-N 501.048 4.991 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 223794201 WGVYAMNUHMTLMG-NRFANRHFSA-N 560.091 4.845 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 223862645 FPKJQOFXWNFITD-QGZVFWFLSA-N 548.492 4.989 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 223962942 PJKXCAFSUKOCGN-OAQYLSRUSA-N 566.562 4.556 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 224208198 YUTIVWJBMTVIMA-SANMLTNESA-N 560.091 4.926 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)c1 224212975 NNVRLZMDYRLTAW-QFIPXVFZSA-N 602.153 4.742 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN1C(=O)c2ccccc2C1=O 224416115 ODSKWDKBXVBDOX-MHZLTWQESA-N 543.639 4.757 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 224501392 AHKKAYHUUCJIAK-AREMUKBSSA-N 618.569 4.909 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 224570912 YLBQUOQCFWHCCF-PMERELPUSA-N 593.746 4.765 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(I)cc1 224587835 GZDQUNGEYHDQIM-JOCHJYFZSA-N 522.427 4.558 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224717284 KHTXCCLGXJVUDJ-INIZCTEOSA-N 605.382 4.998 0 40 KJAB CCC1(CC)C[C@H](NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)c2ccccc2O1 224748770 NMEHZCMPXVFQHJ-FQEVSTJZSA-N 509.466 4.722 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 224789295 ODQOTGFUNIVZFP-HSZRJFAPSA-N 556.556 4.956 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 224941163 CBPIXJPKSYAPCY-SANMLTNESA-N 604.542 4.519 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 225046398 MMZMRHHUHHSGGX-RUZDIDTESA-N 534.122 4.671 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 225204922 JBDYAHOSZACHCP-QFIPXVFZSA-N 646.604 4.995 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 225337841 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CC[C@H](NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(C)c1 224659993 WJHOKPHSLWTWBU-DEOSSOPVSA-N 526.655 4.792 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 224961324 KSFONXDPHPTHLO-RUZDIDTESA-N 550.165 4.817 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 225016163 XXKMEMOSBUVXNT-JOCHJYFZSA-N 616.578 4.905 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 225134290 ZWGICEPFHTVERI-SFHVURJKSA-N 584.964 4.735 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225158548 FCRPLBQYQXQDFM-DEOSSOPVSA-N 522.111 4.528 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 225218564 XNMVQMONQJKQOR-QHCPKHFHSA-N 522.111 4.563 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 225224113 DMOLLDZCGUSECT-FGZHOGPDSA-N 555.672 4.716 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(OC)cc2)cc1C 225277259 HEAKVHMDPRKROF-VSGBNLITSA-N 527.650 4.951 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 225306953 VHZDSDBHUWUOBP-WJOKGBTCSA-N 592.806 4.781 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 225324621 XZXCCPVYFFOJSY-GDLZYMKVSA-N 579.763 4.634 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225505318 IBXAOJLQRJSPIQ-VWLOTQADSA-N 535.710 4.749 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225623487 PGKNHQPWRCLGLY-VGOFRKELSA-N 562.054 4.847 0 40 KJAB O=C(C[C@@]1(COc2ccc(Cl)cc2)CCCN(C(=O)c2ccccc2Br)C1)N1CCOCC1 257327030 WZOMWXOCBFKYGO-VWLOTQADSA-N 535.866 4.653 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)c1ccc2c(c1)OCO2 260960449 YBANKIWEHUZUSE-HHHXNRCGSA-N 614.164 4.637 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 260989294 PSWZQHFVANSVFQ-VXKWHMMOSA-N 602.153 4.885 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 261010323 UCFDXCQSXMCTCR-LXFBAYGMSA-N 553.700 4.786 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 261041493 YPBSZERTSXHTJI-PMACEKPBSA-N 530.090 4.591 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 261087981 SQADNNYOYWIULZ-MSOLQXFVSA-N 588.515 4.606 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 261090284 TYSRBCNZLHUPMO-HOTGVXAUSA-N 566.017 4.596 0 40 KJAB Cc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2ccccc2C)cc2cc(Br)ccc21 408578503 VYAJLGDAPPCGMP-UHFFFAOYSA-N 505.372 4.982 0 40 KJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)ccc2Cl)cc1 408619917 OLNXBCBRYJFXNE-HXUWFJFHSA-N 528.030 4.610 0 40 KJAB Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)c1C 408627875 QQXRWHHVHGHJNW-UHFFFAOYSA-N 505.640 4.764 0 40 KJAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1 408662994 YAJZJRFXUVFABZ-DHIUTWEWSA-N 542.975 4.751 0 40 KJAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 408728399 LFOQPDQVQYROOH-QJMPUOCTSA-N 567.233 4.883 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4F)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 408777611 DELBDUFUAFVGNL-LMSRTUJASA-N 564.660 4.587 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OC(C)C)c(=O)n2[C@H]1c1ccc(F)cc1 408808042 DKYQSLSRDUWDGA-QPWQWLJXSA-N 572.658 4.871 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCC)c(=O)n2[C@H]1c1ccc(C)cc1 408827887 VGINQAFEULQEDX-AFHVAHMMSA-N 667.363 4.873 0 40 KJAB CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4ccccc4)c(OCC)c3)c(=O)n21 409015211 OHKUHCKWSGZUMI-GSFJQCGGSA-N 715.825 4.638 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(-c4ccc(C(=O)OC)cc4C)o3)c2=O)=N1 409114387 HCSIMSHUEMQRTO-NNAGEYCMSA-N 600.693 4.942 0 40 KJAB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3OC)C2=O)ccc1Cl 409156256 RNYUYUMZVXKVAG-CAOOACKPSA-N 539.791 4.573 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OC(F)F)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 409164233 FGUGWVATHHQRJY-YHHBSCGTSA-N 550.558 4.676 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O)Nc1ccccc1N1CCOCC1 409205012 NBFHDTHZCLQLFR-YZSQISJMSA-N 547.608 4.916 0 40 KJAB COc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)CC1 409407738 HBRZDHPSHIEJPE-UHFFFAOYSA-N 514.047 4.729 0 40 KJAB COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 504068824 WULSXBKHHUWZIW-QXPIXXMASA-N 522.601 4.965 0 40 KJAB biogenic COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 604405816 VZPMBHFTZDVWMR-OCUZPWFOSA-N 678.871 4.795 0 40 KJAB biogenic O=C(COC(=O)c1cccc(I)c1)c1ccc(-n2nncc2-c2ccccc2)cc1 2684808 LZUCHIONMDCMRN-UHFFFAOYSA-N 509.303 4.579 0 40 KJAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1 6197819 OCCSOTDYDWNXDR-UHFFFAOYSA-N 548.646 4.523 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(CCc3ccc(OC)c(OC)c3)[C@@H](C(=O)NC3CCCCC3)c3cccs3)n2)cc1 7060605 YFGJIJGMWSEKDL-SSEXGKCCSA-N 618.760 4.689 0 40 KJAB Cc1ccc(CCCNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 10110414 JGXAGQCZAFCQPN-UHFFFAOYSA-N 501.446 4.702 0 40 KJAB COc1ccc(CCN2CC(=O)N3C[C@@H](c4ccc(C)cc4)c4c([nH]c5ccccc45)[C@@]3(C)C2=O)cc1OC 12872659 XVQXACCXMAPYPE-BNHRFMORSA-N 523.633 4.768 0 40 KJAB biogenic CCOC(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)c(C)c1 13649713 GMEYSMYBJOTANR-UHFFFAOYSA-N 517.003 4.668 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)c1 18272067 LXTGZSWUAOESLM-WDXRGRCHSA-N 513.498 4.788 0 40 KJAB COc1ccc(N(CC(=O)N[C@H](C)c2ccc(Cl)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 20014902 KBDNUJHYCIUTPT-GOSISDBHSA-N 503.020 4.738 0 40 KJAB COc1ccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2ccccc2)S3(=O)=O)cc1 20982421 AJXZDAJCDYYISM-UHFFFAOYSA-N 518.620 4.592 0 40 KJAB Brc1ccc(Nc2nc(Nc3ccc(Br)cc3)nc(N3CCOCC3)n2)cc1 32604892 NVFHKFUZQMDQET-UHFFFAOYSA-N 506.202 4.720 0 40 KJAB COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)s2)cc1 39767352 HNPMEEZDWIDBPM-UHFFFAOYSA-N 520.567 4.744 0 40 KJAB COc1cc(C(=O)N[C@@H](C)c2cccc(Br)c2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC 59930595 YNRQFHDQEYJRAR-KRWDZBQOSA-N 547.471 4.924 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 60028899 JHFCIGRPMALPDU-UHFFFAOYSA-N 549.055 4.650 0 40 KJAB CC(C)c1ccc(NC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)cc1 70681056 BYPFRZJREQRPCD-CUNXSJBXSA-N 564.727 4.628 0 40 KJAB biogenic COc1cc(Nc2nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c3ccc(Cl)cc23)cc(OC)c1OC 97999324 PNGOEOAULPAIBU-UHFFFAOYSA-N 540.001 4.842 0 40 KJAB Cc1ccccc1-c1nnc(SCC(=O)Nc2c(Br)cc(Br)cc2Br)n1N 100884162 SGFLABNVUPLGON-UHFFFAOYSA-N 576.112 4.986 0 40 KJAB COc1ccc(-c2noc(-c3cn(CC(=O)Nc4ccc(F)c(Cl)c4)c4nc(C)ccc4c3=O)n2)cc1 101311633 VUWYTMGQUQGLOI-UHFFFAOYSA-N 519.920 4.862 0 40 KJAB COc1cccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C[C@H]5c5ccccc5)[C@H]4C3=O)cc2)c1 102097391 MEAUOUHBXBTOMS-KAKVGEDNSA-N 509.558 4.664 0 40 KJAB CCOC(=O)[C@](O)(c1ccc(N[C@](NC(=O)c2ccc(Cl)cc2Cl)(C(=O)OC)C(F)(F)F)cc1)C(F)(F)F 102402845 KRHOZLMRCOLWCE-UXHICEINSA-N 591.288 4.580 0 40 KJAB CC(C)(C)c1ccc(NC(=O)CSc2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cn2)cc1 102904173 ZERJYARPIQULOO-UHFFFAOYSA-N 538.739 4.616 0 40 KJAB COC(=O)Cn1c(=O)c2c(n(Cc3ccccc3)c1=O)NC(C)=C(C(=O)OCc1ccccc1)[C@@H]2c1ccc(C(F)(F)F)cc1 102930406 IUXICVCUKUVKGQ-MHZLTWQESA-N 619.596 4.825 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(Br)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 104677436 QJUAGAPOYQNNBN-PNZYDNNZSA-N 583.504 4.610 0 40 KJAB COc1ccc(NC(=O)[C@@H](Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)C(C)C)cc1 108448998 AIYBHJWCRLKDAW-QCDSWUKFSA-N 589.689 4.947 0 40 KJAB biogenic O=c1/c(=C/c2ccc(OCc3ccc(F)cc3)c(I)c2)sc2nc3ccccc3n12 197680582 TXORTMJWWISEMC-MTJSOVHGSA-N 528.346 4.780 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 222570457 WVHQMAYKZOGFGD-WJOKGBTCSA-N 603.716 4.557 0 40 KJAB CC[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2O1)c1ccc(OC)c(C)c1 222642721 UIJQVRKJLQKZQP-KCWPFWIISA-N 508.640 4.844 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 222822640 PMZGAIOPKHZLRX-HHHXNRCGSA-N 605.588 4.609 0 40 KJAB CC(C)CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 222868176 CQXHIYIFIGZORR-NRFANRHFSA-N 573.662 4.724 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c2ccc(F)cc2)cc1OC 222928003 PCYASNBKQRIPHI-IBGZPJMESA-N 526.630 4.794 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC(C)(C)C)c2cccc(Cl)c2)cc1 223042190 DPTSBEOEBZVMNH-NRFANRHFSA-N 602.153 4.885 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 223087612 VNMPIVMOIRGSAV-SANMLTNESA-N 542.101 4.706 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223221255 NSGARHGKMLSLEM-HZPDHXFCSA-N 593.371 4.854 0 40 KJAB COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)[C@H](Cc2ccccc2)C(=O)NCc2ccccn2)cc1 223248633 INKRMQUWBOINCY-GDLZYMKVSA-N 553.659 4.606 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 223267801 YLVQFDAALOQPOH-QHCPKHFHSA-N 542.529 4.710 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 223435008 CASDYBXGWCDEEI-HKBQPEDESA-N 621.706 4.945 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 223610411 LRSIBWRFYBQAST-VWLOTQADSA-N 580.509 4.675 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 223804435 DQRWPPMTKLOGRX-QFIPXVFZSA-N 542.529 4.792 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 223880299 DFNKHNIHRKSENS-QFIPXVFZSA-N 567.683 4.860 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 223888365 UYJHWZOTKCLFPC-FQEVSTJZSA-N 537.657 4.744 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223902665 ZGXNGZYBZNLMOQ-FQEVSTJZSA-N 592.545 4.892 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 224014811 HEUBKKVCOHRBPY-LJAQVGFWSA-N 549.737 4.708 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C)c(Cl)c2)c2cc(C)cc(C)c2)cc1OC 224132802 GENGBXOIOLIMFJ-UHFFFAOYSA-N 547.073 4.673 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 224185012 RUCGTZUOJOMZHH-HHHXNRCGSA-N 525.649 4.618 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 224319259 ZJCMPDWVRGJEOL-SANMLTNESA-N 542.101 4.787 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 224360067 XBZARSGRBGSTQU-RUZDIDTESA-N 576.090 4.627 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O 224384340 OVLPXDMCEWEWCS-NDEPHWFRSA-N 614.606 4.944 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224662022 NKLXRDLJCRKUHZ-QHCPKHFHSA-N 609.720 4.658 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 224798394 RQQRKPHYNVZFGM-NRFANRHFSA-N 534.122 4.589 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 224826409 FOXFNPHAOQUJKF-LJAQVGFWSA-N 565.711 4.599 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c2ccc(F)cc2)cc1 225145573 VINZUEZBQLKCSH-UHFFFAOYSA-N 529.615 4.626 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 225174416 GMZWVAFQUPOEBZ-XMMPIXPASA-N 538.085 4.501 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 225183804 RWJUCMLJZRFGEQ-NRFANRHFSA-N 578.573 4.698 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 225228878 TZBBPJRMOVYHTO-DHIUTWEWSA-N 569.699 4.503 0 40 KJAB Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(NS(C)(=O)=O)cc1 225402080 HXPLFCRIIIXHPC-DQEYMECFSA-N 503.653 4.729 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSCc3c(Cl)cccc3Cl)CC2)cc1 225477085 SGUSZVXBWURGMT-UHFFFAOYSA-N 501.501 4.752 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 225558693 IZIPBNMSYRAAGF-HKBQPEDESA-N 585.726 4.939 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(Cl)cc1 225658296 KLHDVHWHSSCQGV-QFIPXVFZSA-N 602.153 4.885 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 225669382 DXQHTHANRUPGGG-QFIPXVFZSA-N 572.127 4.794 0 40 KJAB COc1ccccc1N1C(=O)[C@H]2N=NN(CC(=O)N3N=C4/C(=C/c5ccccc5)CCC[C@H]4[C@@H]3c3ccccc3)[C@@H]2C1=O 226572476 QXMLRYAGUGFTJP-YOVLLMENSA-N 574.641 4.812 0 40 KJAB Cc1cc(OCC2(CC(=O)N3CCOCC3)CCN(C(=O)c3cccc(Cl)c3)CC2)ccc1Cl 257212885 CFIKCBCIBHAYBG-UHFFFAOYSA-N 505.442 4.852 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c1 260761675 DNILPRRHSFSJRR-HSZRJFAPSA-N 611.736 4.904 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1 260915706 YZFXBODWWUSESE-GDLZYMKVSA-N 549.737 4.543 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)c2cccc(Cl)c2)cc1 260920673 GVQUFLDOYQCNSX-OAQYLSRUSA-N 590.117 4.873 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 260960446 XZRWCXMUOBIERK-MUUNZHRXSA-N 600.181 4.835 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)[C@H](Cc1ccccc1)C(=O)NCC(C)C 260962344 YFEIPVALMOPFGJ-MUUNZHRXSA-N 570.155 4.827 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 260968302 MAZRRMRWLNCFBD-YADHBBJMSA-N 557.663 4.801 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 260982050 OGXWFQYMPUAEGH-RPWUZVMVSA-N 521.683 4.522 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 261045686 ZHOLHNXRJQZFSE-RPWUZVMVSA-N 553.700 4.970 0 40 KJAB CC(C)c1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 261048597 LPRHUHNKCRRPJT-LJQANCHMSA-N 566.562 4.671 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Cl)c1OCc1cccc(F)c1 408551968 QDNGEPVCQWEMQR-UDWIEESQSA-N 504.967 4.725 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1NC(=O)c1ccc(Cl)cc1 408562100 XUBUDJOWUSZUJU-UHFFFAOYSA-N 500.020 4.502 0 40 KJAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Oc4cccc5ccccc45)cc3)C2)cc1 408666007 RYJTYGIIYMYDOM-QFIPXVFZSA-N 538.556 4.954 0 40 KJAB C[C@H](C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704583 PZKOFRULCWPECM-MRXNPFEDSA-N 502.976 4.697 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408755644 ROEJYMWOTZBXSN-SCRHHBKZSA-N 611.503 4.965 0 40 KJAB COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1Cl 409024413 SANBBZMOCQROFW-YOURIZNBSA-N 547.460 4.511 0 40 KJAB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCCSCc1c(F)cccc1Cl 409026630 VAIBIWVNSGOEQN-UHFFFAOYSA-N 511.015 4.863 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409090989 OHPLFLIHZXIBPU-NWKGEQBZSA-N 666.388 4.739 0 40 KJAB CCOc1ccccc1N(CC(=O)N1CCN(c2cc(Cl)ccc2C)CC1)S(=O)(=O)c1ccccc1 409123991 GHDXIJXSHWGWBE-UHFFFAOYSA-N 528.074 4.591 0 40 KJAB C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c2ccccc21 409127698 FPDXPBCZPNEZBR-SMNNTEATSA-N 534.613 4.856 0 40 KJAB CCOc1c(I)cc(I)cc1/C=C1/SC(=O)N(CC(=O)OCC(C)C)C1=O 409207123 PMESRUADKGHTMO-MKMNVTDBSA-N 615.227 4.530 0 40 KJAB O=C(O)COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1I 409242133 MNFJANXKEXGAOY-VIZOYTHASA-N 651.660 4.846 0 40 KJAB COc1cc(C(=S)N2CCCC2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 409269440 JPYRWKGBNJWBOB-UHFFFAOYSA-N 524.424 4.705 0 40 KJAB CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C 409342397 BZSRBPKPPWQIME-XMMPIXPASA-N 541.121 4.519 0 40 KJAB CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1nc2ccccc2s1 409361062 PVURGPWXULVPCL-UHFFFAOYSA-N 521.455 4.875 0 40 KJAB O=C(COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Br)N1CCOCC1 409385683 JGOBTZKCYXNUPP-NDENLUEZSA-N 551.846 4.577 0 40 KJAB COc1ccc(CCc2nc(N3CC[C@@H]4[C@H](C3)[C@H](c3ccc(F)cc3)CN4C(=O)C(C)C)ncc2C(=O)O)cc1 409412950 SZGDJNDECWZYOM-ZRRKCSAHSA-N 546.643 4.585 0 40 KJAB COc1ccc(C(=O)CN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2N(CC(=O)c2ccc(OC)c(OC)c2)Cc2ccccc2)cc1OC 575421940 JLBJCEMLHVWSLY-ROJLCIKYSA-N 686.827 4.957 0 40 KJAB CCc1nccn1CCOc1cc(CN2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)ccc1OC 585272191 QMTKEEUBDUTYEU-PMERELPUSA-N 507.675 4.946 0 40 KJAB CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)N[C@H](C)COc2c(F)cccc2Oc2cccc(Cl)c2)NC(=O)c2ccccc2OCCN(C)C1=O 643550939 KZSYIQSIBYUGRE-KKVCJECGSA-N 683.177 4.725 0 40 KJAB CCC(=O)N1CCCN(C(C)C)CCCN(C(=O)CCc2c(C)nn(C)c2C)Cc2cc(F)c(F)cc21 643581584 WMWUTFDLHBOXRW-UHFFFAOYSA-N 517.665 4.524 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(C(=O)Cn1nnc(-c2ccccc2F)n1)c1ccc2c(c1)OCCO2 888572 DDOHTWCCHUBUHS-MHZLTWQESA-N 576.654 4.535 0 40 KJAB CC[C@@H](c1nnnn1CCc1ccccc1)N(CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O 1374790 AHBSBZMJLLQNTH-LJAQVGFWSA-N 522.653 4.962 0 40 KJAB COc1ccc(CN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@@H]3CCc3ccccc3)C2=O)cc1OC 2158283 NMWYBLSPCHFMRD-UIOOFZCWSA-N 509.606 4.655 0 40 KJAB biogenic COc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)Nc2ccc(OC)c(OC)c2)cc1 2238059 OBPSRLFJHCWKID-UHFFFAOYSA-N 506.584 4.603 0 40 KJAB CCOc1ccc(CCNC(=O)c2c(N)n(-c3ccc(OC)cc3)c3nc4ccccc4nc23)cc1OCC 2397752 FILDQIFNAXHLTC-UHFFFAOYSA-N 525.609 4.934 0 40 KJAB O=C(Cc1ccccc1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc(-c3ccccc3)cc2)C1 4258894 BKMFFOCGTSSPBU-WNCULLNHSA-N 503.602 4.956 0 40 KJAB biogenic,in-vitro CCc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC(C)(C)C)c2cc(OC)c(OC)c(OC)c2)cc1 8829268 UIFGCIVUUOUJGH-AREMUKBSSA-N 567.708 4.755 0 40 KJAB CS(=O)(=O)Nc1cc(-c2nnc(Nc3cccc(Cl)c3)c3ccccc23)ccc1N1CCOCC1 9076511 LGVKSHYVEKWRQP-UHFFFAOYSA-N 510.019 4.902 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(C(F)(F)F)cc3)c2=O)=N1 9363739 HPJUDSXBNUKWFK-FVIVVMBBSA-N 519.548 4.893 0 40 KJAB CN(C)c1cc(Cl)c(S(=O)(=O)N(C)C)cc1C(=O)NC[C@H](Cc1ccccc1F)c1ccccc1 12414000 JFUMLPYKOWMQCL-FQEVSTJZSA-N 518.054 4.552 0 40 KJAB CC(C)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2F)cc1 12483019 UWZAQPAQTWQQOH-IADCTJSHSA-N 529.616 4.764 0 40 KJAB CC[C@@H](C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13686604 ZDCULBOYJZGGJJ-LVXARBLLSA-N 507.656 4.978 0 40 KJAB CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC 13810814 MFMQLAJBLUGMMX-CYXNTTPDSA-N 516.550 4.623 0 40 KJAB CCc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc(NCCc4ccccc4)c4ccccc4n3)CC2)cc1 22052889 DSJDKIJVNUZMNL-HSZRJFAPSA-N 529.710 4.914 0 40 KJAB C[C@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 22535549 QQENAKBJMYATSX-KRWDZBQOSA-N 505.409 4.657 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)S(C)(=O)=O 59858710 OPYPIQVSVGBDKR-UHFFFAOYSA-N 574.080 4.707 0 40 KJAB CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)NCCc1ccc(OC)cc1 70705806 QVEMDDRWOULVAQ-AKXSOLIVSA-N 564.686 4.536 0 40 KJAB biogenic CC(C)(C)OC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 71788084 INUVWIJXMJVBLO-SVBPBHIXSA-N 530.621 4.521 0 40 KJAB COc1cccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(C)cc3)cc2)c1 97945569 IOPFEIWKPNQILU-UHFFFAOYSA-N 531.561 4.578 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)c(F)c3)c2)cc1 97982906 MPMVMNFHDQOLPC-UHFFFAOYSA-N 589.598 4.533 0 40 KJAB Cc1cc(NC(=O)CSCC(=O)N(c2ccc(F)cc2)[C@H](C(=O)NC2CCCCC2)c2ccc(C)o2)no1 100285822 NAQPSAVKFKVKMU-SANMLTNESA-N 542.633 4.919 0 40 KJAB COc1cc2nc(SCC(=O)Nc3c(C)cccc3C)n3nc(CCn4nc(C)cc4C)nc3c2cc1OC 101308231 MEEXBUYLZFAUNH-UHFFFAOYSA-N 545.669 4.698 0 40 KJAB C[C@H]1C[C@H](C(=O)Oc2ccc([C@@H]3[C@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C(=O)[C@H]4ON3c3ccccc3)cc2)N(C)N1 102754623 PJAHPKZIAHIBAP-FFNFBXRSSA-N 581.456 4.547 0 40 KJAB Cc1ccc(N2C(=O)/C(=C/Nc3cccc(S(=O)(=O)N4CCCC4)c3)c3ccccc3C2=O)cc1C 103004834 NFJMYEUHPXDFKU-NLRVBDNBSA-N 501.608 4.728 0 40 KJAB O=C(c1cc(I)ccc1Cl)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 105319001 XQALYAOJRPUOSP-UHFFFAOYSA-N 516.635 4.603 0 40 KJAB CCOC(=O)c1sc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)c(C(=O)OC)c1C 150441432 ASKBTZIWPQXAHJ-PVHODMMVSA-N 676.725 4.839 0 40 KJAB CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)OCC(=O)Nc2cccc(C)c2C)c1I 150480921 YBWQZYXHZMNLKB-UHFFFAOYSA-N 775.119 4.830 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(I)c1OCc1ccccc1 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Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc3ncccc3c2)c1 6193917 WXZXVZXESGOWOW-SANMLTNESA-N 556.692 4.826 0 40 KJAB O=C(CCC(=O)OCC(=O)c1ccc(Br)cc1)Nc1ccc(Br)c2cccnc12 8451517 CHDPCQQCEOVGNZ-UHFFFAOYSA-N 520.177 4.905 0 40 KJAB aggregator C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NCCc5ccc(O)cc5)CC[C@]4(C)[C@H]3CC[C@@]21C 8917897 NJGWSWKGLBTOIW-STEGJCBOSA-N 504.671 4.751 0 40 KJAB biogenic COc1ccc(-c2c(C(C)C)nn3c4c(nnc23)C(=O)C[C@H](c2ccc(OC)c(OC)c2)C4)cc1OC 10156993 QWRJAYKZXNNTMC-GOSISDBHSA-N 502.571 4.862 0 40 KJAB CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C(C)=O)cc1 12713944 DBAYWFCCEGWRCG-MUUNZHRXSA-N 527.625 4.722 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC3CCCCC3)c3cccs3)n2)o1 12716699 UNWDDBGORWLJJU-QHCPKHFHSA-N 524.672 4.584 0 40 KJAB O=C(OCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1 13016960 AQBHPWSESIJTPT-FQEVSTJZSA-N 503.548 4.720 0 40 KJAB COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 18038130 GLCNHWBHNNLGNE-IARZGTGTSA-N 520.541 4.966 0 40 KJAB COc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2cccnc2)cc1 35189582 CKWODUUTSPQGKR-NSOVKSMOSA-N 507.546 4.621 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1Cl 59834382 YMERKIGODABHHQ-FQEVSTJZSA-N 527.857 4.861 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3cccc(Br)c3)cc2)cc1 59836938 NKGMDZQNJSNCNT-KRWDZBQOSA-N 533.444 4.905 0 40 KJAB CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 67189994 CTBPSFRZUKYHBD-FQEVSTJZSA-N 511.051 4.997 0 40 KJAB Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NC[C@H]5CCCO5)cc4)C(=O)N32)cc1 70701029 JHOZNIPWXXSRIM-FNHKZSGOSA-N 534.616 4.868 0 40 KJAB biogenic O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 97990089 OMMFDNBHLXQMKF-UHFFFAOYSA-N 584.108 4.971 0 40 KJAB COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)c(OC)c2)cc1OC 100292780 BWJZPHOQANYTAI-WJOKGBTCSA-N 587.677 4.689 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc(-c3cccs3)n2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1 100329794 JYRZAFJJLHLCNA-RUZDIDTESA-N 550.710 4.691 0 40 KJAB CCC[C@H](c1nnnn1CCc1ccccc1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 100389359 GLTGXPRXIRYJIV-AREMUKBSSA-N 580.645 4.758 0 40 KJAB CC(C)C[C@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21 101497358 QKVFMUSRIBHIJA-UXIIFZHGSA-N 540.623 4.920 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C(=O)N(C)C)c3ccccc3)n2Cc2ccccc2)c1 102900835 IRWWHUZMQAYQFI-SANMLTNESA-N 563.749 4.946 0 40 KJAB O=C(COC(=O)CSc1ccc2ccccc2c1Br)Nc1cccc(S(=O)(=O)N2CCCC2)c1 102931189 VNXVUJBRCBCGDP-UHFFFAOYSA-N 563.495 4.661 0 40 KJAB CSc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3)cc2s1 102994253 IBSWJVRCVPANHP-UHFFFAOYSA-N 565.702 4.869 0 40 KJAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 103066802 MWIAXGWWAFAOMC-UHFFFAOYSA-N 534.878 4.595 0 40 KJAB Cc1cccc(-n2c(SCC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)nc3ccccc3c2=O)c1C 103092976 YWOMDPASZSUYTK-UHFFFAOYSA-N 548.690 4.518 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCC)c(=O)n2[C@H]1c1ccc(OC)cc1OC 163632715 PARAKGGNLPDGFW-YOURIZNBSA-N 666.388 4.739 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCc1ccc(Cl)cc1Cl 214300661 OMJWJJWNTYXYDH-WSDLNYQXSA-N 551.448 4.866 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 222536132 KFCFMTUTPVECAS-QHCPKHFHSA-N 572.555 4.880 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 222686945 AVSLYEAYZXVWHQ-MHZLTWQESA-N 574.118 4.657 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O 222693711 FHFYSZGNIGFFRZ-JOCHJYFZSA-N 518.441 4.702 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222890794 SNRBNNRBQUSORP-RUZDIDTESA-N 602.540 4.550 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 223087512 WBRIMZVAIYNNFR-HKBQPEDESA-N 569.727 4.967 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 223099189 KDIMQTLMDQDHAT-XZOQPEGZSA-N 569.699 4.670 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 223208712 MQGROGQNGJFSLD-SANMLTNESA-N 560.091 4.845 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223210460 GORXKGPJOKHYQQ-FCHUYYIVSA-N 616.578 4.985 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 223334045 VLEKNAMIAOXUIA-XMMPIXPASA-N 544.117 4.981 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 223670541 PXBKJQHFTUSJFF-PWUYWRBVSA-N 567.727 4.763 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC 223875910 VBSQHHMVIGWITK-QHCPKHFHSA-N 611.736 4.823 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 223904319 QXPBYCWENPNJMY-IBGZPJMESA-N 606.528 4.513 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 223952260 OUGGCDACAUWIQA-MUUNZHRXSA-N 595.762 4.931 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 224031293 GESLSQIGVUBMTK-LJQANCHMSA-N 530.090 4.591 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c2ccc(C)c(C)c2)cc1 224083497 MWNOLEIEKSDNMW-SANMLTNESA-N 549.737 4.997 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 224293139 TUJPQVNYXTZDPT-SANMLTNESA-N 576.090 4.627 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O 224301057 XODYNJKDEYEZJU-SANMLTNESA-N 574.118 4.800 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1 224370077 BSWNKQOANRSYED-RUZDIDTESA-N 509.444 4.994 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 224534989 RYWXBSMFOGYPEQ-MUUNZHRXSA-N 565.736 4.759 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 224550632 ADPMXEBTXMACQY-PMERELPUSA-N 611.736 4.904 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 224744369 KPEIUEIMOCEIHV-MHZLTWQESA-N 599.725 4.618 0 40 KJAB O=C(NCc1ccccc1CN1CCCCC1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 224829795 YQNBCCQYGITEKJ-JOCHJYFZSA-N 538.541 4.838 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)c2ccccc2)cc1 224830964 WSQJQNVLCUUBJG-QHCPKHFHSA-N 581.710 4.896 0 40 KJAB O=C(Nc1nnc(-c2ccccc2)s1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 224921799 PTIJQWBOZXMPMX-INIZCTEOSA-N 511.456 4.692 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 225023631 DHSCVWOBNRSEJG-RUZDIDTESA-N 565.736 4.759 0 40 KJAB CCn1c(=O)sc2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)C3)ccc21 225100199 BTYDOJBINGFMRF-OAHLLOKOSA-N 528.483 4.570 0 40 KJAB COc1cccc(CN(C(=O)CN2C(=O)c3cccc4cccc2c34)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 225125605 XBOQIHCLJGHFJW-LJAQVGFWSA-N 535.644 4.973 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 225141568 ZNBUOUYDEQCNKP-QFIPXVFZSA-N 602.153 4.886 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 225217814 CPPCABWRKXSKQR-OAQYLSRUSA-N 662.578 4.888 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 225226380 FPSUPUXRDJGFPR-OAQYLSRUSA-N 566.562 4.637 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccc2c(c1)OCO2 225319547 NAULVYCWBMDRQT-NDEPHWFRSA-N 626.175 4.924 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 225322458 BSLULVUYSFGIAC-LJAQVGFWSA-N 549.737 4.626 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O 225351923 YAOQVCGJIVOQTL-SSEXGKCCSA-N 563.764 4.880 0 40 KJAB CN(C)S(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccc(F)cc1 225382603 OBRGGNNSJPPINC-PMERELPUSA-N 612.743 4.667 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 225425453 JREVLDIFHCNSDB-CLJLJLNGSA-N 549.737 4.873 0 40 KJAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(N(C)C)cc2)ccc1NS(C)(=O)=O 225460354 PVJVXDUHLWVDCX-KAYWLYCHSA-N 546.722 4.795 0 40 KJAB COc1ccc(CN(C)C(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1 226038391 ZURFTXQDDQZSQU-UHFFFAOYSA-N 551.890 4.961 0 40 KJAB O=C(COc1ccc(F)cc1)N1CCC(COc2cccc(Cl)c2)(CC(=O)N2CCCCC2)CC1 257218877 DERMQHZRQZXYJO-UHFFFAOYSA-N 503.014 4.948 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](CC)C(=O)NC1CCCCC1)S(C)(=O)=O 260758705 MAXWSZZPFBIQHU-XMMPIXPASA-N 564.148 4.761 0 40 KJAB COc1cccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 260938358 CHHROBALRZJABF-GDLZYMKVSA-N 598.165 4.668 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 260969456 MFPKVBLNOGGQCJ-ZEQRLZLVSA-N 553.700 4.970 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 260976384 AMXSLJVRULCNJP-HRFSGMKKSA-N 592.108 4.939 0 40 KJAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2Cl)c1 408554049 BGHSVDUBJPWGFQ-UHFFFAOYSA-N 509.367 4.842 0 40 KJAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 408577693 IZLHJHQJMZHPCM-IBGZPJMESA-N 506.400 4.679 0 40 KJAB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(=O)OC(C)C)c(OC)c3)C2=O)ccc1Cl 408600508 CDUHDHORCKFUQR-JJFYIABZSA-N 591.038 4.531 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 408602816 JAZGZDRQOHKPRU-UHFFFAOYSA-N 612.026 4.612 0 40 KJAB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 408640105 HHMUQRMNUGUAEP-UZKHKUDCSA-N 523.416 4.984 0 40 KJAB COc1ccccc1Oc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C(=O)OCC(C)C)cc3)CC2=O)cc1 408668169 UZRPOTHRYBJAJP-QFIPXVFZSA-N 560.603 4.835 0 40 KJAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccc(Br)c(Cl)c4)cc3)C(=O)[C@@H]12 408689311 RWKZYJLGFVCQBA-RBLYABSFSA-N 543.801 4.600 0 40 KJAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)Nc1cc(C(F)(F)F)ccc1Cl 408689980 ZYVIZQQFLBIZIL-IRXDYDNUSA-N 506.864 4.610 0 40 KJAB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)c1 408712132 AYJUVOQXHAMSPE-GOSISDBHSA-N 536.075 4.551 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 408769933 QUTGOIKVHVIMIN-LMSRTUJASA-N 564.660 4.587 0 40 KJAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)ccc4OC)c(=O)n32)c1 408773844 XRRJSRYCUZKQHZ-GTWFGUSFSA-N 546.048 4.545 0 40 KJAB COc1cc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)cc(Br)c1OCC(=O)O 408798347 DSDBTMNHOJFIMZ-UHFFFAOYSA-N 512.789 4.646 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OC)c(Cl)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408822045 BBAOXLKEWFMNHE-RQLGBQGVSA-N 561.487 4.901 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408989239 STEUXJLIQDKNSN-MFCBUNOESA-N 623.083 4.817 0 40 KJAB CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC 408989328 TYRMHVNXRQXALL-RJQPNXBESA-N 633.122 4.540 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(-c4ccccc4)[nH]c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 409001548 WMNHQFWUIUHTSR-AHNSQEAUSA-N 579.678 4.964 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 409010348 JYQJLOUQWHCZGV-KGENOOAVSA-N 536.382 4.963 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 409021453 IOWSZZFLGMFZLT-SZYVSPPHSA-N 770.598 4.706 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(I)c3OC)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409031422 AOTHLKAUODMQON-XOBACGFXSA-N 682.964 4.861 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)Cc2ccc(Br)cc2)cc1 409075711 ZHFZISZFZHYTIN-LJQANCHMSA-N 501.446 4.826 0 40 KJAB CCOc1c(I)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1I 409107837 RGEHVAFZNVCCLU-CXUHLZMHSA-N 592.146 4.527 0 40 KJAB Cc1cc(C)cc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCc4ccc(Cl)cc4)CC3=O)cc2)c1 409155485 ITPVFLMCBAYWMZ-OAQYLSRUSA-N 506.002 4.644 0 40 KJAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OCC(=O)Nc4cccc(Cl)c4Cl)cc3)C2)cc1 409160642 VIBCKOVMJSUACW-LJQANCHMSA-N 526.420 4.989 0 40 KJAB COC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 409208408 BLQRJNWCJTZWLS-LZYBPNLTSA-N 512.765 4.904 0 40 KJAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccccc2OCc2ccc(Br)cc2)C1=O 409230504 YXXVBNFKCDHZBA-KGENOOAVSA-N 536.382 4.568 0 40 KJAB Cc1ccc(-c2csc(NC(=O)CSc3nnc(CNC(=O)/C=C/c4ccccc4Cl)n3C)n2)cc1 409361481 SUVLTQFYDYMCHN-VAWYXSNFSA-N 539.086 4.961 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(I)c1OC(C)C 409377709 JBCNXSBFKCSFCU-PDGQHHTCSA-N 558.438 4.526 0 40 KJAB CC(=O)N1CCC[C@@H](c2cccc(CCC(=O)N3CCC4(CCCCCc5ccccc5OCCNC4=O)CC3)n2)C1 643559302 CZGICBFIVIIAPL-MUUNZHRXSA-N 574.766 4.661 0 40 KJAB CC(=O)N1CCC(C(=O)N(C)CCC[C@H]2C(=O)N(C)CCCCC3(CCN(C(=O)OC(C)(C)C)CC3)COc3ccccc3C(=O)N2C)CC1 643560705 CKIQVVLYXJRMMX-HKBQPEDESA-N 697.918 4.663 0 40 KJAB COc1ccccc1NC(=S)N[C@H](NC(=O)c1ccccc1)C(Br)(Br)Br 822175 RPUSDZRZQWAWQE-HNNXBMFYSA-N 566.113 4.576 0 40 KJAB O=C(NCc1ccc(F)cc1)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 1372428 JAUYQPTVVYYDIT-LJAQVGFWSA-N 507.569 4.657 0 40 KJAB COc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N(Cc3ccco3)Cc3cccs3)c(=O)[nH]c2cc1OC 6014990 NJZVECZLFCQHSR-DEOSSOPVSA-N 534.642 4.733 0 40 KJAB Cc1c(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nc(-c4ccccn4)cs3)c2)c(=O)n(-c2ccccc2)n1C 6144169 CVJHCQRHPHXHMM-UHFFFAOYSA-N 595.106 4.734 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)ccc1OC 6462225 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COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12 103099147 ZPYWZTSZFMDDBE-UHFFFAOYSA-N 611.676 4.880 0 40 KJAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cccc(-c2nn3c(C)nnc3s2)c1C 105306879 DTOYNRBYRWYKID-UHFFFAOYSA-N 531.461 4.676 0 40 KJAB Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)S(C)(=O)=O)c1 106399224 PRFCNYSTTITMFU-IBGZPJMESA-N 550.102 4.859 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NC3CCCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 108450346 XUFVCDGDRUEXMX-DEOSSOPVSA-N 551.684 4.504 0 40 KJAB biogenic COC(=O)C1=C(C(=O)OC)[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)C2=C(OC(C)=O)C1 118936708 RUBFELASRWZCNJ-NOQVEBBBSA-N 540.653 4.971 0 40 KJAB COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1 139026205 ZMUYYRQSCPWFOG-UHFFFAOYSA-N 504.539 4.865 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 168913758 CKDDXXYISARQBS-UHFFFAOYSA-N 565.692 4.909 0 40 KJAB Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc2)cc1 214450150 XIKFIZLSOCMRQJ-HZHRSRAPSA-N 501.564 4.688 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 222810620 LCWLKBKNFZPVBY-MHZLTWQESA-N 630.605 4.636 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 223344949 QJAUVMMVKIEIFP-LJQANCHMSA-N 542.529 4.710 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223716735 SFLSCLMEFKRDTL-AREMUKBSSA-N 634.582 4.697 0 40 KJAB COc1ccc(CN(C(=O)COc2ccc(Br)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 224067658 OHLGASXAEKMWBN-INIZCTEOSA-N 523.855 4.966 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 224246960 QHILJTZYAPNQGU-JOCHJYFZSA-N 542.101 4.725 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 224271971 SMOQRVFJKHINKH-AREMUKBSSA-N 542.101 4.787 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 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KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 222784541 MXGFSLVKXQKDDG-MHZLTWQESA-N 574.118 4.512 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc4ccccc4c3)Oc3ccc(Cl)cc32)cc1 222799468 ZQVUWSHMPYCNQH-SANMLTNESA-N 523.010 4.775 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 222977369 LRUJEZNXUVMKGF-AREMUKBSSA-N 542.101 4.706 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 223087528 URSLDRZSSPADKW-RUZDIDTESA-N 542.101 4.706 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 223137208 NNMIHUVFUPASNH-AREMUKBSSA-N 535.710 4.912 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223174913 VDFILOKVEUMCAZ-LJQANCHMSA-N 572.555 4.882 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 223207799 LZUURQAETKLOLO-SANMLTNESA-N 529.747 4.880 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 223246918 GAOYVOKHXYMQOY-RBUKOAKNSA-N 586.980 4.981 0 40 KJAB COc1ccc(CN(C(=O)COc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCCCOC(C)C)cc1 223291685 XYZZOFBAESUXEQ-LJAQVGFWSA-N 518.654 4.645 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 223333016 JJSXOUJOXRGRLP-RUZDIDTESA-N 606.970 4.645 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 223569465 OOBYJGNAQRWUQB-MHZLTWQESA-N 565.736 4.923 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 223653933 SPQXUZWYSWPOAG-AREMUKBSSA-N 592.545 4.544 0 40 KJAB Cc1c(Cl)cccc1N(CCCC(=O)N(C)Cc1nc(-c2cccc(Cl)c2)no1)S(C)(=O)=O 223710732 FWNXDTNEJGICFG-UHFFFAOYSA-N 511.431 4.557 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 223749739 OMEBVVLILRMBHW-SANMLTNESA-N 626.097 4.910 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 223808435 WMGQGXKZUOHVGT-QHCPKHFHSA-N 540.101 4.749 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 223853774 ZUZGPXLAHRPRIF-NRFANRHFSA-N 560.091 4.926 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223915218 JKHSREDAHIIVOY-LJQANCHMSA-N 542.529 4.710 0 40 KJAB Cc1ccc(C)c(OCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)c1 224053538 QZDIYKZGTMXOLX-UHFFFAOYSA-N 503.045 4.739 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)c1C 224092077 UHHSOGSVJQVMLW-VWLOTQADSA-N 535.710 4.688 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 224173582 OILFGAVQJVEVMO-HHHXNRCGSA-N 535.710 4.780 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 224258599 QUOINEPJXYFHIM-VWLOTQADSA-N 534.122 4.589 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 224262625 XYAFPKNALSQKAJ-QHCPKHFHSA-N 586.154 4.875 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c(C)c1 224326257 RPMZYYYKUMGAGP-IBGZPJMESA-N 542.529 4.566 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 224383558 PKRGCHAXUZHGNP-MHZLTWQESA-N 600.579 4.690 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 224558660 JILFTSRWZRHCRB-HHHXNRCGSA-N 605.588 4.773 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 224758102 CKXHPTFDOCDSRO-DEOSSOPVSA-N 551.709 4.533 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 224925700 LQXKAECYYIJTPF-SFHVURJKSA-N 580.534 4.784 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 225013990 XOGNTCHIWMFUBX-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 225078133 GWKOTCGCTMNTID-MUUNZHRXSA-N 535.710 4.832 0 40 KJAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 225256286 XIPGUZKCAPGWOJ-INIZCTEOSA-N 511.456 4.692 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 225296474 KPLIZFKHRATBGZ-OAQYLSRUSA-N 566.910 4.886 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 225299508 OSSZCGXBPZVLEH-LJAQVGFWSA-N 563.764 4.934 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225331772 WBSFXWXAFLNXDP-HSZRJFAPSA-N 600.565 4.644 0 40 KJAB COc1ccc(CCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc1 225791770 GBKNXYLAIYPAOC-UHFFFAOYSA-N 503.045 4.684 0 40 KJAB CCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccccc1OC)S(=O)(=O)c1ccc(SC)cc1 225792477 DKAYDRCXPBRUEG-IBGZPJMESA-N 514.669 4.889 0 40 KJAB CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@H](c3ccccc3)C2)cc1 226818042 CPZJWUYRYDMDMM-QHCPKHFHSA-N 504.033 4.642 0 40 KJAB CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@H](C(=O)OC)[C@H]2c1cc2c(cc1OC)N(C)[C@@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@@]3(CC)C=CCN4CC[C@]21[C@@H]43 245204490 CGXIIXQQCPGCFA-IMNZRFFNSA-N 778.947 4.945 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)cc1 260960342 XJMCGMBTUOYKHT-GDLZYMKVSA-N 600.181 4.917 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 260969640 MIKLMABUBGHZMX-MSOLQXFVSA-N 562.054 4.765 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 260992527 QGZFAWARKJCPJV-IADCTJSHSA-N 581.735 4.976 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 261019220 VVDBBHHMEVCRRG-CUBQBAPOSA-N 535.710 4.912 0 40 KJAB COc1cc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(OC)cc1Cl 408618888 HTPHEBSRYWYZFU-UHFFFAOYSA-N 503.020 4.538 0 40 KJAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1OC 408624945 UROAJJIYFHDBGB-UHFFFAOYSA-N 597.473 4.948 0 40 KJAB CCOC(=O)Cn1cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)n2CC)C(=O)O)c2ccccc21 408635290 ZXHNKSGFHKAVCB-QRVIBDJDSA-N 536.610 4.718 0 40 KJAB CCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc(C)cc4)cc3)CC2=O)cc1 408639765 YZJCLKMKIBOSNX-RUZDIDTESA-N 557.599 4.950 0 40 KJAB Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)CCC3=O)cc2)cc1 408643558 PSVGTOSZKMOAEB-UHFFFAOYSA-N 539.371 4.910 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c(I)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408821453 HOWVLMNYRKZCID-FJWZAKCXSA-N 744.389 4.803 0 40 KJAB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccccc2C)N[C@@H]1c1cccc(Br)c1 408988678 IVATZFVYYWLCKG-OAQYLSRUSA-N 502.434 4.967 0 40 KJAB CCOc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409025221 RYHMCTJWRFWCAL-UHFFFAOYSA-N 552.693 4.779 0 40 KJAB CCCCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc1OCC 409036088 KKDSLKCEJAKNJQ-QXHVWWCLSA-N 646.547 4.981 0 40 KJAB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(O)c(I)c3)C2=O)ccc1Cl 409163454 RUBFLDFRPYXVFB-IUXPMGMMSA-N 586.791 4.502 0 40 KJAB CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccc(Br)c(C)c3)n2CC)cc1 409164479 JCWVNDOPUPHCKJ-QGZVFWFLSA-N 560.518 4.746 0 40 KJAB CS(=O)(=O)CC[C@@H](C(=O)OCC(=O)c1cccc2ccccc12)N1C(=O)c2ccc(C(=O)OCC(=O)c3cccc4ccccc34)cc2C1=O 409181163 YEJGOFZEOURPHM-YTTGMZPUSA-N 691.714 4.858 0 40 KJAB COCCN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3C)c(OC)c2)C1=O 409203674 YLBBKFOXQBLWOP-CIAFOILYSA-N 549.443 4.775 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OCC(=O)Nc4ccc(C)cc4)cc3)c(=O)n2[C@H]1c1ccccc1Cl 409205792 FUFIURBBXJUZFR-MFISQUFLSA-N 630.122 4.556 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)c(C)c3)S(C)(=O)=O)cc2)c1 409411760 ZNUOXKCESMDIGV-UHFFFAOYSA-N 580.526 4.580 0 40 KJAB O=C1CCCN1CCCOc1ccc(CN(CCO)C[C@H](O)CN2c3ccccc3Sc3ccccc32)cc1 585271252 VIHQRTMZQIPPBE-VWLOTQADSA-N 547.721 4.536 0 40 KJAB COc1ccc(-c2nnsc2C(=O)N2CCN(C)CCCN(C(=O)CC(C)C)c3ccccc3C2)cc1 643554381 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KJAB COc1ccc(N(C(=O)COc2ccccc2)[C@H]2[C@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 8439672 AFVCASQPZNYTFH-XZWHSSHBSA-N 524.573 4.936 0 40 KJAB C[C@]12C=C/C(=N\OCC(=O)NCc3ccc(C(=O)O)cc3)C=C1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 12859433 BFCOXYSQFYFQOO-ANPFRNHKSA-N 506.643 4.863 0 40 KJAB CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1 16574924 VNYSQCICFQNTKA-UHFFFAOYSA-N 516.667 4.697 0 40 KJAB CCCc1nnc(NC(=O)CCC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)s1 17206641 XYPXGKODIUZTFY-RUZDIDTESA-N 512.079 4.797 0 40 KJAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)c1ccc(Br)cc1 20022843 VUNZTXAORHJUAW-HNNXBMFYSA-N 515.857 4.533 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)c2ccc(Cl)cc2)cc1 22430934 MYASUJMWSSAZOW-UHFFFAOYSA-N 509.031 4.654 0 40 KJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)cc1Cl 59331768 MTESLJYBASAQPI-UHFFFAOYSA-N 517.438 4.984 0 40 KJAB Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)S(C)(=O)=O 59858246 CILQNRSLHCIWEN-UHFFFAOYSA-N 586.917 4.616 0 40 KJAB CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)S(C)(=O)=O)cc1 59883843 WKDVSUVLCGWMMM-FQEVSTJZSA-N 567.689 4.833 0 40 KJAB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)COc2cccc3ccccc23)c1 97945856 SUGWVSMFZYVMET-UHFFFAOYSA-N 537.616 4.996 0 40 KJAB COc1ccc(-c2cc(C(=O)N(Cc3ccc(Sc4ccccc4)o3)[C@@H]3CCS(=O)(=O)C3)no2)cc1 97977256 JCUMOYRHBZACFU-LJQANCHMSA-N 524.620 4.924 0 40 KJAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12 100353246 OUDICYAKLFFWEP-UHSQPCAPSA-N 626.069 4.945 0 40 KJAB CO[C@H]1C[C@@H](C)[C@@H](OC)c2cc(O)cc(c2O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](OC(N)=O)/C(C)=C/[C@@H](C)[C@H]1OC 102850696 SVSFCSOFEPJFSF-WRFIQSCOSA-N 560.688 4.979 0 40 KJAB COc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C)c3)[C@H](C)C2)ccc1F 102857896 FIHFGEQSOBKFJB-GOSISDBHSA-N 532.037 4.948 0 40 KJAB CCOC(=O)C1=C[C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3[C@H](C(=O)c3ccc(Br)cc3)N2C=C1 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CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 260887611 KBUITSSVCFQSTF-SFTDATJTSA-N 522.111 4.527 0 40 KJAB Cc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O 260890760 LLZUTNLHJDTVLG-QGZVFWFLSA-N 562.947 4.911 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 260973351 MVGPUMZRNNOGTL-GJZUVCINSA-N 515.720 4.607 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 260993188 DAFAOUCZTJMEBK-CUNXSJBXSA-N 600.579 4.770 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 261012103 UMEPLBRWLLDZDF-CUNXSJBXSA-N 597.709 4.514 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 261026338 WOKNQZUXFHEKOQ-OALUTQOASA-N 600.565 4.643 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 261119256 ZARDPHHDLPQOAI-LXFBAYGMSA-N 570.155 4.969 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)cc2)cc1 408544638 IEFDUXZBRGTOFW-UHFFFAOYSA-N 521.620 4.849 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 408920387 FRTOZTGWVAUGCX-UHFFFAOYSA-N 595.699 4.647 0 40 KJAB CCOC(=O)Cn1c(C)c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c2ccccc21 408927605 QOXCLETXRAXFIX-NWVGGYJISA-N 635.742 4.770 0 40 KJAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(Br)c(OCc4ccc(C(=O)O)cc4)c(OC)c3)c2=O)=N1 409035563 JHSHAKWGGWZBSD-ZGOFBEGVSA-N 663.546 4.847 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Br)cc(I)c4O)c(=O)n32)c(OC)c1 409051128 AITCGCZEHRRPEO-RLGZEVEKSA-N 732.394 4.964 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c2cc(C)cc(C)c2)cc1OC 409126695 MOXOEPYFGJDAQR-UHFFFAOYSA-N 572.127 4.827 0 40 KJAB O=C(Cn1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c2cc(Br)ccc21)N1CCCCC1 409148706 ZXJPZFFWZKMWAR-BKUYFWCQSA-N 523.456 4.679 0 40 KJAB Cc1ccc(C(C)C)c(OCC(=O)NCc2nnc(SCC(=O)Nc3ccc(Br)c(C)c3)n2C)c1 409155222 QKDSYVKJUWTQFG-UHFFFAOYSA-N 560.518 4.744 0 40 KJAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)C1=O 409238780 LEYQAKBFOXOPHJ-CIAFOILYSA-N 631.398 4.558 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 409257815 VIGOHJXCWFULCH-UHFFFAOYSA-N 564.129 4.821 0 40 KJAB COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc1 409269063 DMIFSPGWPNWXSI-FMCGGJTJSA-N 553.543 4.666 0 40 KJAB O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1)[C@@H]1CS(=O)(=S)C[C@H]1N(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 575422625 MFBKESUYBSXRNF-LOYHVIPDSA-N 662.827 4.544 0 40 KJAB COc1cc2c(=O)c(-c3ccc(OC(C)=O)cc3)coc2cc1OC(=O)COCCOC(=O)COCCOCC(=O)OCCOCC(=O)Oc1cc2occ(-c3ccc(OC(C)=O)cc3)c(=O)c2cc1OC 2061000025 SKHDXKOISNYDOQ-UHFFFAOYSA-N 998.896 4.765 0 40 KJAB CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1 902414 DKRBQWPNXHNWOB-GDLZYMKVSA-N 527.600 4.996 0 40 KJAB CCOc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccc(Br)cc2)cc1 1098393 WKQKWJHQQKNGHJ-UHFFFAOYSA-N 529.456 4.628 0 40 KJAB Cc1sc(NC(=O)c2ccc3c(c2)OCO3)nc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 1354670 DTXPOHGJWQSREN-UHFFFAOYSA-N 519.604 4.851 0 40 KJAB O=C(NCc1ccccc1)[C@H](c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1 1372496 WXBBCPAMAVOVKM-NDEPHWFRSA-N 511.532 4.800 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(F)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1 2148292 UEUKJOPHRBJFCN-NNAGEYCMSA-N 572.658 4.915 0 40 KJAB COc1ccccc1-n1c(SCC(=O)c2ccccc2)nc2ccc(I)cc2c1=O 2327619 HKQOWJYDJLSICO-UHFFFAOYSA-N 528.371 4.974 0 40 KJAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 2663320 UGUKVOMMFBKZNL-QHCPKHFHSA-N 524.042 4.641 0 40 KJAB COc1ccccc1CNC(=O)CC[C@@H]1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O 2967353 OAHFYHXMYDBWJH-QHCPKHFHSA-N 516.598 4.823 0 40 KJAB CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc(OCC)c1OCC 3181385 PCBRWUUBPXXYFK-UHFFFAOYSA-N 503.577 4.541 0 40 KJAB O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1CCNS(=O)(=O)c1cc(Br)ccc1Br 3250497 ZIZYBALPFMWWBH-OQLLNIDSSA-N 580.707 4.880 0 40 KJAB CCOC(=O)C1CCN(Cn2c(=S)oc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc32)CC1 5947890 ICEHTDQJFLBHSF-UHFFFAOYSA-N 510.037 4.651 0 40 KJAB CC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1cnc2ccccc2c1 6075128 OTJVLMHOWPBLJV-VWLOTQADSA-N 543.628 4.778 0 40 KJAB COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N(Cc1ccccc1)Cc1ccc(OC)cc1 6322114 IBZFIIMYKSGGCI-LJAQVGFWSA-N 538.652 4.578 0 40 KJAB Cc1ccc(C(=O)CSc2nc3cc(C(=O)NC4CCCC4)ccc3c(=O)n2C[C@@H]2CCCO2)c(C)c1 8599398 CFQLCOIRIGKYKE-QFIPXVFZSA-N 519.667 4.840 0 40 KJAB CCC(=O)Nc1nnc(SCC(=O)Nc2nnc(SCc3cccc4ccccc34)s2)s1 9850262 IPGXEALCALLALK-UHFFFAOYSA-N 502.672 4.914 0 40 KJAB COc1ccc(N(CCCC(=O)NCCSCc2ccccc2Cl)S(C)(=O)=O)cc1Cl 10337212 WJTCLBFPWAERDK-UHFFFAOYSA-N 505.489 4.598 0 40 KJAB CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 11865687 WEPGZCMPOCNILJ-OAQYLSRUSA-N 504.004 4.686 0 40 KJAB CCc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccc(OC)cc2)Cc2ccco2)cc1 11913908 HKFSCTDVEUFFLR-UHFFFAOYSA-N 520.611 4.503 0 40 KJAB COc1ccc(Cl)cc1N(C(=O)CNC(=O)c1cccs1)[C@@H](C(=O)NC(C)(C)C)c1ccccc1 12490256 FZUHVVUXXHWVOB-HSZRJFAPSA-N 514.047 4.829 0 40 KJAB O=C1CS[C@]2(C(=O)N(CN3CCOCC3)c3ccccc32)N1c1ccc(Oc2ccc(Cl)cc2)cc1 15084142 RIBZDBLRDBMOLM-HHHXNRCGSA-N 522.026 4.701 0 40 KJAB O=C(CSc1nnc(-n2cccc2)n1CC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 16545904 HYVNHAVTLDAHGD-UHFFFAOYSA-N 501.399 4.745 0 40 KJAB Cc1cccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N(Cc3ccc(F)cc3)Cc3ccco3)c(=O)[nH]c12 20083049 CWAZEKMEYPCMIR-RPLLCQBOSA-N 528.588 4.526 0 40 KJAB COC(=O)[C@H](CSc1cc(NC(C)=O)ccc1OCc1ccccc1)NC(=O)OCc1ccccc1 22051036 PTKFYPRDXJFAKO-QHCPKHFHSA-N 508.596 4.784 0 40 KJAB in-vitro CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C 33770136 GKQLVRQHMGSONG-OAQYLSRUSA-N 502.040 4.818 0 40 KJAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 44874541 CBAWUGNVHDFBGM-UHFFFAOYSA-N 509.647 4.708 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)cc2)cc1Cl 60028832 JGEUXRCKWCMPBZ-UHFFFAOYSA-N 534.059 4.685 0 40 KJAB O=C(NCc1ccc(F)cc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12 70701586 OBWRGFADUSJRRZ-GCRSFRQPSA-N 572.640 4.821 0 40 KJAB biogenic O=C(O)[C@@H](O)c1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1 94313241 MORJGZQSVTUXOE-NSHDSACASA-N 763.829 4.721 0 40 KJAB in-vitro COc1ccc(OC)c([C@H]2C3=C(N=c4s/c(=C\c5cc6c(cc5Br)OCO6)c(=O)n42)c2ccccc2CC3)c1 97958832 WZZHJTSHRCOSAE-UWRMONIRSA-N 603.494 4.827 0 40 KJAB CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)Cc3csc(-c4ccccc4)n3)C2=O)cc1OC 97985945 UHGRLGLOFPVAIY-HYARGMPZSA-N 523.636 4.613 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2Cc2ccc(F)cc2)cc1 97995473 HJTIPRHSDREXGX-DEOSSOPVSA-N 535.597 4.542 0 40 KJAB C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 100176652 WRLKCQMABHPFNZ-OALUTQOASA-N 533.741 4.816 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3c(C)n(C)c4ccccc34)c(=O)n2[C@H]1c1cccs1 100305806 ARDDXLMDBPMGIM-OXIKZWMZSA-N 539.682 4.797 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1OC)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1 100355964 VSOKJJMFJBTGAT-MHZLTWQESA-N 533.604 4.667 0 40 KJAB COc1cc(S(=O)(=O)Oc2c(Br)cc(Br)c3cccnc23)c(OC)cc1C 101453867 JQTDHBQKVNJDKN-UHFFFAOYSA-N 517.195 4.853 0 40 KJAB COc1ccc(CCNC(=O)c2cc(C(=O)c3cc(Br)ccc3O)cn(CCc3ccc(OC)cc3)c2=O)cc1 102988353 NNIUZADYMXFPDZ-UHFFFAOYSA-N 605.485 4.780 0 40 KJAB CCOC(=O)C1=C(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)NC(=O)N[C@@H]1c1ccccc1 103020382 SPSQHPYRAUHMIM-XMMPIXPASA-N 548.571 4.627 0 40 KJAB Cc1ccc(NC(=O)COc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2Br)cc1 137444442 ZQQWBBWWUVRVAY-XKZIYDEJSA-N 520.408 4.545 0 40 KJAB O=C(NCCSCc1ccccc1Cl)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 140098713 MXNHTWQQBDLFDD-UHFFFAOYSA-N 545.952 4.694 0 40 KJAB CC(=O)N1N=C(c2ccc(OC[C@@H](O)CN3CCN(C[C@@H](O)COc4ccc(C5=NN(C(C)=O)[C@@H](c6ccccc6)C5)cc4)CC3)cc2)C[C@H]1c1ccccc1 150420822 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620.541 4.736 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 223166821 OTORAZZEQWXQMC-SSEXGKCCSA-N 579.738 4.709 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223170691 FXOLUEKPJIRPHY-QHCPKHFHSA-N 638.570 4.768 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 223332743 PAGNVCUXFXFJOH-RUZDIDTESA-N 562.519 4.536 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223344899 XROISQDPMALVLZ-LJQANCHMSA-N 555.311 4.620 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 223519195 DBYVMOFTXWIVLI-WXVAWEFUSA-N 614.164 4.780 0 40 KJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccnc1 223924441 ZEJXBHHJWWHQTL-NSOVKSMOSA-N 510.667 4.898 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 224104227 STEPLWWGAVBPEU-NDEPHWFRSA-N 551.709 4.533 0 40 KJAB 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CC(C)[C@@H]1C[C@H](c2ccccc2Cl)CO[C@H]1c1cccc(OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 585295443 ZLMANDFNVPGALA-GNDQFBHHSA-N 520.091 4.882 0 40 KJAB CC(C)N1CC(=O)NCCCCCOc2ccc(CCC(=O)N(CC(=O)O)Cc3cccc(C(F)(F)F)c3)cc2C1 643577188 LRBAAVYLTVMSGJ-UHFFFAOYSA-N 577.644 4.641 0 40 KJAB CCC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)CCc3ccnn3C)Cc3ccccc31)N2CCC(C)C 2037942975 VHUZLKWDUGQDLB-SXOMAYOGSA-N 507.723 4.797 0 40 KJAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1ccc(I)cc1 835229 RYECDIXWRIEOKO-UHFFFAOYSA-N 506.365 4.510 0 40 KJAB Cc1cc(C)c2cc(CN(CCc3ccccc3)S(=O)(=O)c3cccc4nsnc34)c(=O)[nH]c2c1 924992 RBEWYEOMSCWGHN-UHFFFAOYSA-N 504.637 4.583 0 40 KJAB CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cccs1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 1374956 NJVCUDKSQRQCQK-XMMPIXPASA-N 548.644 4.934 0 40 KJAB COc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)Nc2ccc(OC)cc2OC)cc1 2435653 HIAVJTMJVCYJJB-UHFFFAOYSA-N 506.584 4.603 0 40 KJAB O=C(NCc1cccc(Cl)c1)c1ccc(Cn2c(=S)[nH]c3ccc(N4CCOCC4)cc3c2=O)cc1 2976084 SQIBIFYNANOMDV-UHFFFAOYSA-N 521.042 4.527 0 40 KJAB 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COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 59884194 IVYYKLIGBUGCLB-UHFFFAOYSA-N 609.726 4.955 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)S(=O)(=O)c2ccccc2)cc1OC 59888195 TXZUOVCLISEHHT-UHFFFAOYSA-N 595.699 4.647 0 40 KJAB O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc(C(F)(F)F)cc1 67870927 BMSNXNJAGWGVTH-WRALFONMSA-N 582.589 4.622 0 40 KJAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 97946284 GUFUEILSEQVWSJ-JESJEVRBSA-N 664.740 4.594 0 40 KJAB COc1ccc(-c2cc(-c3nnc(SCC(=O)N4c5ccccc5Sc5ccccc54)n3N)[nH]n2)cc1 97956648 USHVBMXBMFXAOB-UHFFFAOYSA-N 527.635 4.979 0 40 KJAB COc1ccccc1-n1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1nc2ccccc2s1 97961516 IVTZPGWXQVQYJE-UHFFFAOYSA-N 548.625 4.686 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(I)cc2C)S(=O)(=O)c2ccc(F)cc2)cc1 101860405 VDJLUMXNJFXUBT-UHFFFAOYSA-N 554.381 4.581 0 40 KJAB COc1cccc(OCCN2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(CCOc4cccc(OC)c4)C5=O)cc3C2=O)c1 103704130 IPYXEUVTVXJZLD-UHFFFAOYSA-N 608.603 4.846 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 103882128 HDRYJYCVHVKIQA-IVQFASICSA-N 611.695 4.958 0 40 KJAB COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 105394697 ALKQGMPHQGPFCS-UHFFFAOYSA-N 565.184 4.683 0 40 KJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1S(=O)(=O)Nc1cccc(C)c1C 106006479 LATTVLXWWICOQZ-UHFFFAOYSA-N 556.691 4.922 0 40 KJAB Cc1nnc(NC(=O)CSc2ccc(NC(=O)/C(=C/c3ccccc3)NC(=O)c3ccccc3)cc2)s1 112072736 XEJBQIIKGLRIGK-KQWNVCNZSA-N 529.647 4.987 0 40 KJAB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cc(C(=O)O)ccc2OC)cc1Br 113560499 UAUOEVBLZRNBNK-MOSHPQCFSA-N 525.355 4.574 0 40 KJAB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 150386547 DYHAPXROYQZWIX-UHFFFAOYSA-N 689.643 4.707 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 164304021 VWFNBFISTJOIGQ-BQKWAYIGSA-N 628.625 4.528 0 40 KJAB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)cc(I)c1O 214107454 XAHFNTCDYIZLLF-OVCLIPMQSA-N 501.729 4.895 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 222387610 QAJORFIVDRDRGM-IBGZPJMESA-N 548.492 4.660 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 222461809 UOWRNLQZTLAMGD-HHHXNRCGSA-N 521.683 4.522 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 222612619 MUNPTNMJSKFIPG-VWLOTQADSA-N 606.970 4.563 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 222970883 OQAUXKAZIGAPRF-JOCHJYFZSA-N 542.101 4.869 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223001770 VJUOZNGQSWQEMU-DEOSSOPVSA-N 551.709 4.533 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223090398 UDGOXEOVOTYMRX-PMERELPUSA-N 615.752 4.675 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 223222378 HRRHKYVQWIAQIP-FUHWJXTLSA-N 572.953 4.509 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCc1ccc(OC)c(OC)c1 223245382 AVPFWJUOMIHJMX-MSOLQXFVSA-N 505.453 4.731 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 223513796 DSCNOBPBHLMLKZ-DEOSSOPVSA-N 535.710 4.867 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223614344 YYJBBDVMSQNEQD-NEKDWFFYSA-N 570.155 4.969 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 223616575 ODXQERLGICCTPE-RBISFHTESA-N 616.180 4.678 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 223784713 HBQWBXJWXICDJY-QFIPXVFZSA-N 572.127 4.878 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 223953811 XPLGXQULAFQFPV-JOCHJYFZSA-N 616.578 4.987 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 224125784 GDFUBTQZWYGVLR-VWLOTQADSA-N 625.788 4.796 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 224302015 WQJXZTHFDVWFRT-LJAQVGFWSA-N 567.727 4.881 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 224424477 YDZMKIUQYHZFAB-HSZRJFAPSA-N 600.565 4.643 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1C 224437846 DYKWOJAXGUJHMA-NDEPHWFRSA-N 567.727 4.763 0 40 KJAB COc1cccc(CN(C(=O)COc2ccccc2OC)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224616387 CIUNUADVLNOSNH-RUZDIDTESA-N 504.627 4.637 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 224626190 NIMROYKVWGTMQM-MHZLTWQESA-N 529.747 4.738 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224747640 RXAAYHSSAVTDAX-AREMUKBSSA-N 576.546 4.924 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CCc1ccc2c(c1)OCO2 224760217 OSBMTTOCWRELKY-QGZVFWFLSA-N 501.421 4.587 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 224792900 PUHXGEPDDMWZHH-OAQYLSRUSA-N 560.091 4.926 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 225044549 YEVUVWRZUMZILZ-MHZLTWQESA-N 606.572 4.933 0 40 KJAB CCn1c(=O)sc2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)Cc4c(Cl)cccc4Cl)C3)ccc21 225100307 DPQOMNBAMYDVBS-CQSZACIVSA-N 528.483 4.570 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 225281129 UJOYRKQFAGQZTB-LJAQVGFWSA-N 567.727 4.928 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 225368181 UKUCZHJHEONIRR-NDEPHWFRSA-N 551.709 4.533 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O 225380592 LBLMVLJWAGVGCO-MHZLTWQESA-N 574.118 4.802 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 225397360 KSUZKPYOKZAGIQ-UKILVPOCSA-N 565.736 4.839 0 40 KJAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 225431614 TZOYRHLUTDOMOL-MUUNZHRXSA-N 553.700 4.706 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225480067 VOWPHWQTJUPTLP-NDEPHWFRSA-N 611.736 4.657 0 40 KJAB COc1cccc(-c2noc(CSc3nc4ccccc4c(=O)n3Cc3ccc4c(c3)OCO4)n2)c1OC 225536122 YTWUUDAHTBLYMA-UHFFFAOYSA-N 530.562 4.533 0 40 KJAB COc1cc(-c2noc(CSc3nc4ccccc4c(=O)n3Cc3cccs3)n2)cc(OC)c1OC 225537674 GDXQIYXGFVIDIQ-UHFFFAOYSA-N 522.608 4.874 0 40 KJAB CCCOc1ccccc1CCCNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 225687547 LCFGEKFJJVPEMV-UHFFFAOYSA-N 529.471 4.797 0 40 KJAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)Cn4ccc(=O)c5cc(Br)ccc54)cc32)cc1 225919128 LDEBSVDYBFKRJE-UHFFFAOYSA-N 532.394 4.614 0 40 KJAB CN1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CCCN(S(=O)(=O)c3cccc(Cl)c3Cl)C2)CC1 257230177 GBEJVFOYKOLFEB-RUZDIDTESA-N 574.958 4.661 0 40 KJAB CCCn1nc(C)c(C(=O)N2CCC[C@]3(CO[C@H]4c5ccccc5O[C@](C)(CCC(=O)O)[C@@H]4C3)C2)c1C 257294649 QVBFWXQPWATTRR-YETHFFKWSA-N 509.647 4.926 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(Cl)cc1 260733619 KLHDVHWHSSCQGV-JOCHJYFZSA-N 602.153 4.885 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 260877882 HFGRJPMQROKAGJ-GOTSBHOMSA-N 539.673 4.661 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 260877885 HFGRJPMQROKAGJ-PKTZIBPZSA-N 539.673 4.661 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC(C)C)c2ccccc2)cc1 260915955 ZGSXNZJGWVHNAS-JOCHJYFZSA-N 586.552 4.895 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 260920209 GNQSJJMRZRNGKX-AOMKIAJQSA-N 546.492 4.621 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)c2ccccc2)cc1OC 260921173 SWKURJUYHBDNTR-JOCHJYFZSA-N 602.153 4.742 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c1 260943652 PUROETIJMBQGGT-MUUNZHRXSA-N 616.180 4.536 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 260946985 DQULBCQIHKCOQV-OAQYLSRUSA-N 578.573 4.780 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCC2)c2ccc(C)cc2)cc1OC 261002120 QFXNSSVWZAVQNW-HSZRJFAPSA-N 611.736 4.823 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1OC 261003705 QMWQFYYBQLQWCX-AREMUKBSSA-N 616.180 4.678 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 261014385 HGBZCNWPILILOZ-YADHBBJMSA-N 616.578 4.985 0 40 KJAB COc1cccc(CN(C(=O)CCCN(c2ccccc2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 261104470 WWZJNGGHIQYSKG-SSEXGKCCSA-N 579.763 4.654 0 40 KJAB CCOC(=O)N1CCN(C(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 408857105 JPFUZMHEOKAATL-UHFFFAOYSA-N 556.084 4.958 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(OCc4ccc5c(c4)OCO5)cc3)c2=O)=N1 408868145 MODJEBWKOHSZOT-RIFKOAFWSA-N 642.730 4.903 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)cc(I)c4O)c(=O)n32)c(OC)c1 408981126 ZTKCQFILSOPFKT-VPVLBGOXSA-N 779.394 4.806 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC)c(=O)n2[C@H]1c1cccc(Cl)c1Cl 408984561 IGDBAOVXNXZEBS-QUYTYNJFSA-N 517.434 4.504 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4ccc(C)cc4)c(OC)c3)c2=O)=N1 409049321 ZCAZFHXBNGPSHB-HDFSHUSISA-N 554.668 4.694 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3O)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409081665 HMSGBAJHVXMMAZ-NCBZSOBPSA-N 825.257 4.883 0 40 KJAB O=C(Cn1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c2cc(Br)ccc21)N1CCOCC1 409125020 MCTCFXMLNNVIHG-UCQKPKSFSA-N 554.466 4.542 0 40 KJAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)Nc1cc(C(F)(F)F)ccc1Cl 409125648 AHNVGEAOZSEDSZ-NSHDSACASA-N 519.701 4.656 0 40 KJAB 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4.851 0 40 KJAB CN(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1)c1ccccc1 33028930 SHJKAJIHEPKBSJ-JOCHJYFZSA-N 505.612 4.835 0 40 KJAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N(Cc3ccc(F)cc3)Cc3ccco3)cc2c1 33936806 LGZIRDGJQXQINT-SHQCIBLASA-N 528.588 4.526 0 40 KJAB Cc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCCC1 38145809 XMJIZLLIJSATQA-UHFFFAOYSA-N 531.984 4.553 0 40 KJAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 66148885 XEDUDKCCGZYRLR-UHFFFAOYSA-N 530.492 4.693 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 97947552 DTCUTZMUNUPZBE-QZVQSRICSA-N 648.741 4.975 0 40 KJAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)N[C@@H](Cc4ccc(Cl)cc4)C(=O)NCCCC(=O)O)c(C)c3cc12 97957102 XXXWELAEPHBKSQ-DEOSSOPVSA-N 567.038 4.759 0 40 KJAB CCOc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC(C)(C)C)c1cccc(OC)c1OC 100364710 OBYVIPJFFJRYPZ-MHZLTWQESA-N 545.640 4.536 0 40 KJAB 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CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(I)cc(I)c2OCC)C1=O 409193119 CBYJJDQFIZYYIG-RIYZIHGNSA-N 615.227 4.674 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc(I)c1OC 409224800 MBDVDXPEEOKREQ-RQZCQDPDSA-N 588.217 4.990 0 40 KJAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)C1=O 409234952 BIACOKXWGCELEH-CIAFOILYSA-N 584.398 4.716 0 40 KJAB CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)N(CC(=O)OCC(C)C)C3=O)cc2OC)cc1 409275530 VMIXVTUPUHJFBD-QRVIBDJDSA-N 526.611 4.511 0 40 KJAB Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]12 409334937 MRNZTJLBPYLUHO-SZHXJAFASA-N 507.542 4.862 0 40 KJAB C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1C 409351627 UNPUPVGNJCVKCI-CQSZACIVSA-N 513.048 4.814 0 40 KJAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)NC[C@@H](c3ccccc3)N3CCCCC3)ccc21 643583799 AHLCFQDFMOFCLA-LJAQVGFWSA-N 520.718 4.677 0 40 KJAB COc1cc([C@H](CC(=O)NC2CCN(S(C)(=O)=O)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC 1547138996 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DDQXSWYKAGINSY-KRWDZBQOSA-N 507.085 4.790 0 40 KJAB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1 101178007 DQBHENFMJQEKBL-XFAFFCHDSA-N 518.566 4.552 0 40 KJAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCCC1 102996417 FCONNQWUGGKPRF-KRWDZBQOSA-N 597.546 4.700 0 40 KJAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)N[C@]4(C(=O)Nc5c(C)cc(Cl)cc54)[C@H]3C2=O)cc1 103520662 YWRRMKCECVYWLV-PXFJVXAFSA-N 553.018 4.500 0 40 KJAB CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 106588209 XLOFIBURHKEVSM-RWSKJCERSA-N 587.786 4.681 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC 163625805 PMKTVRPQABSBKE-RISWYLRJSA-N 656.498 4.680 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 163743581 FEYDDWJZUXSRAI-DNQIBQKISA-N 752.368 4.875 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C(=O)O)ccc4C)o3)c(=O)n2[C@@H]1c1ccccc1Cl 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KJAB Cc1ccccc1N(CCCC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 223824206 GZMIELUDTFEPAN-NRFANRHFSA-N 534.122 4.671 0 40 KJAB O=C(O)c1cc(C(=O)O)cc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)c1 223874869 XUTGWEHPPODREP-DHIUTWEWSA-N 501.520 4.621 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 224425792 SNWSDYKTXRLAQA-MHZLTWQESA-N 600.579 4.690 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 224676720 UNZFEJFKBGJWMF-QHCPKHFHSA-N 581.710 4.896 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)c1 224714913 WXOYQCYEWPLQSB-NRFANRHFSA-N 534.122 4.589 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224797718 WSZMSQSPMVVMPD-HXUWFJFHSA-N 546.064 4.618 0 40 KJAB COC(=O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)cc1 224825566 USBDJUGEOUMNNB-IZZNHLLZSA-N 514.607 4.853 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c(C)c1 224910636 FGJMGKWZLJGBKW-NDEPHWFRSA-N 570.155 4.888 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 225325185 YRYLUARZYRHREU-RBUKOAKNSA-N 542.529 4.708 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC)S(=O)(=O)c1ccc(Cl)cc1 225456748 UFINLQIXKYOYDI-IBGZPJMESA-N 622.969 4.860 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 225503309 ZGWIJRSXBHDZGY-SSEXGKCCSA-N 615.752 4.594 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC)S(=O)(=O)c2ccccc2)cc1 225508930 NVKLAPATYBNURP-HKBQPEDESA-N 569.727 4.830 0 40 KJAB CC[C@H](C)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccco2)cc1 245230036 KNVXWBOWPBICPR-PYHHMDQSSA-N 515.614 4.608 0 40 KJAB CC1(C)O[C@H]2CC3(CCN(C(=O)[C@H](Cc4ccccc4)NC(=O)OCc4ccccc4)CC3)CO[C@]2(C)CC[C@@H]1O 257343239 ZSBGLNMCKSFQDE-BQUCCUTGSA-N 564.723 4.630 0 40 KJAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)N1c2ccc(Br)cc2C[C@H]1C 260746563 SLBOKEDGMOJMPF-GOSISDBHSA-N 541.467 4.866 0 40 KJAB CCc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)cc1 260765113 FCKOVSADHNEZDL-RUZDIDTESA-N 561.748 4.963 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 260804265 RFMYEXJDTRUEMU-RUZDIDTESA-N 547.721 4.975 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 260930052 HOSUMVLMRYDWCY-YADHBBJMSA-N 521.683 4.769 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccccc1Br 260976934 KBZVURKTVQTVEG-MUUNZHRXSA-N 612.590 4.914 0 40 KJAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1OC 408558451 RGTBKTXFZMHNPZ-UHFFFAOYSA-N 511.383 4.829 0 40 KJAB COc1cccc2cc(C(=O)Nc3cccc(Cl)c3)n(NC(=O)C(=O)NCc3ccc(Cl)cc3)c12 408605092 JPXWPOMVQJNUCU-UHFFFAOYSA-N 511.365 4.596 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(C)c3C)CC2)Cc2ccccc2Cl)cc1 408620152 KGCVNISULRAFRM-UHFFFAOYSA-N 526.102 4.805 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)c2ccc(Cl)c(C(F)(F)F)c2)cc1 408630193 PDDOSVIZCIZAAH-UHFFFAOYSA-N 537.947 4.848 0 40 KJAB Cc1c(Br)ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c1C 408682290 KSZNIHKTKFNRNQ-UHFFFAOYSA-N 513.388 4.790 0 40 KJAB O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 408695969 XELUWJVKWVGBBE-UHFFFAOYSA-N 555.584 4.580 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408831091 PKWXGXZOZZQHNY-XSZPGNIMSA-N 585.520 4.747 0 40 KJAB O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2 409024178 AWYAIJJCTIUYRP-UHFFFAOYSA-N 526.920 4.964 0 40 KJAB CCOC(=O)Cn1c(C)c(/C=c2/sc3n(c2=O)[C@@H](c2cccc4ccccc24)C(C(=O)OCC)=C(C)N=3)c2ccccc21 409039834 DTNDLYVBTLJEPN-PSAPEEBNSA-N 593.705 4.778 0 40 KJAB COc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Br)c1OCc1ccc(Cl)cc1 409073915 OATLJMDHDOEDJK-UHFFFAOYSA-N 682.018 4.815 0 40 KJAB COC(=O)c1c(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)sc2c1CCCC2 409117756 MQYDBJLLTHHKJJ-UHFFFAOYSA-N 512.653 4.864 0 40 KJAB COC(=O)c1c(NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)sc2c1CCCC2 409130829 UZXUTAYKIHUMQN-QGZVFWFLSA-N 528.652 4.999 0 40 KJAB CCCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc1OCC 409274896 RAPBCBVPBRCCFS-UYRXBGFRSA-N 572.465 4.774 0 40 KJAB Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 409336677 VBOJGVAWFBXRHW-IWRQBJDLSA-N 513.933 4.899 0 40 KJAB CCn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C 409357230 HVXJZMKQTGSIFT-FQEVSTJZSA-N 516.023 4.508 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3nnn(-c4ccc(Cl)cc4)c3C)CCO2)C1=O 643555900 DWUYTCVQCOVGBW-WJOKGBTCSA-N 580.129 4.874 0 40 KJAB CCc1nnsc1C(=O)N1Cc2ccccc2N(C(C)=O)CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 643567229 AFELBLACFDFGSD-BJKOFHAPSA-N 503.672 4.533 0 40 KJAB O=C(CN1CCC[C@@]2(C[C@H](OCc3ccc(Cl)cc3)CN(CC3CC3)C2=O)C1)N1CCc2ccccc21 2037879119 WHJZEGKZWSZXMD-FREGXXQWSA-N 522.089 4.539 0 40 KJAB COc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)[C@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 1334243 VECKAESOSYLRRL-PMERELPUSA-N 566.662 4.894 0 40 KJAB COc1cccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2cc(C)ccc2C)c1 3632568 KVJUVRKPYVQVNH-UHFFFAOYSA-N 527.650 4.504 0 40 KJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCc3ccc(C(=O)O)cc3)C2=O)c1 9260860 INFFIAWKHWOFEN-OEAKJJBVSA-N 502.548 4.947 0 40 KJAB COc1cccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2cc(C)ccc2C)c1OC 13029349 KGLPKQLUXGLFJL-MHZLTWQESA-N 529.641 4.755 0 40 KJAB COc1ccc(CN(C(=O)c2cnsn2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1OC 13494367 BYFZAMVWBMMILE-DEOSSOPVSA-N 512.607 4.527 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN(c4cccc(C)c4C)CC3)cc2c1 19941406 QGBPJGWFQMZDPZ-NDEPHWFRSA-N 511.674 4.721 0 40 KJAB COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1OC 20024641 ABZAYRFURRLOOC-HXUWFJFHSA-N 508.640 4.655 0 40 KJAB COc1ccc(CN(C)C(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 20490906 FAGPXHQKTCTZHM-UHFFFAOYSA-N 517.047 4.828 0 40 KJAB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2Cl)CC1 57313732 GHIJMHANYHNITA-FMIVXFBMSA-N 509.031 4.795 0 40 KJAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N(Cc3cccnc3)Cc3ccco3)cc2c1 57608801 OBRXIXQGWKODMC-MHZLTWQESA-N 525.613 4.808 0 40 KJAB CC(C)(NC(=O)NCc1ccc2c(c1)OCO2)c1cccc(C(C)(C)NC(=O)NCc2ccc3c(c2)OCO3)c1 59663186 MZYQEMDLVHSGNM-UHFFFAOYSA-N 546.624 4.613 0 40 KJAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 59837830 KKZWGVSAYSFQEM-UHFFFAOYSA-N 624.612 4.718 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)S(=O)(=O)c2ccccc2)cc1 59889063 CYSBFXJJWWIANN-UHFFFAOYSA-N 565.673 4.638 0 40 KJAB CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1nc2cc3c(cc2s1)OCO3 60210059 DASDFRGJQSBBHA-UHFFFAOYSA-N 580.732 4.834 0 40 KJAB CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c(NC(=O)c3cc(OC)c(OC)c(OC)c3)scc12 97957537 XQXUGSFGIFLBBO-UHFFFAOYSA-N 577.537 4.921 0 40 KJAB CC(C)Oc1ccc([C@H](CC(=O)N2CCN(C)CC2)c2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)cc1 97971966 JLMUMOGYQSYOAC-DEOSSOPVSA-N 542.632 4.954 0 40 KJAB biogenic O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 97980425 GVHAOZJPWYRYSR-FMIVXFBMSA-N 559.566 4.631 0 40 KJAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 98005831 ACEJDVOQVXBMIP-HSZRJFAPSA-N 538.000 4.775 0 40 KJAB COc1cc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 102752788 PXHSXXUPXFGWPL-YTCPBCGMSA-N 534.568 4.961 0 40 KJAB O=C1[C@H]2N=NN(CC(=O)N3N=C(c4ccc(Br)cc4)C[C@@H]3c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 102830809 IESCYUIWYRKYHR-PZUNEJSGSA-N 591.853 4.774 0 40 KJAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 103005241 TZPPVTORYDQFGD-HDICACEKSA-N 588.704 4.955 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 103882124 HDRYJYCVHVKIQA-SELCLYCASA-N 611.695 4.958 0 40 KJAB COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=S)NC(=O)c2ccc(C(C)C)cc2)c1 104084824 OBFMYMDDMQSPMI-UHFFFAOYSA-N 544.677 4.686 0 40 KJAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(-c3ccc(Br)cc3)o2)CC1 105316938 GQHJDCVUFNMYLD-UHFFFAOYSA-N 541.471 4.895 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCC(c4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 108450737 MFBGQEYPRNFKMT-MHZLTWQESA-N 585.701 4.681 0 40 KJAB biogenic O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 140135632 NECMCSONEKXLGQ-NDEPHWFRSA-N 544.658 4.909 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)cc1Cl 222527591 PCPGQVHEIGRBAW-NDEPHWFRSA-N 600.181 4.835 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 222642920 OMCLSRCPADRICE-NDEPHWFRSA-N 570.155 4.827 0 40 KJAB CC[C@@H](NC(=O)c1ccc(CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1)c1ccc(OC)c(C)c1 222666823 UKPPODBZAZZYDD-XMMPIXPASA-N 513.635 4.837 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 222686390 HCUCRJVPDDPXOR-MUUNZHRXSA-N 614.606 4.998 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 222871857 IWAXNJSBPUSAPL-GDLZYMKVSA-N 625.788 4.857 0 40 KJAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)CCc4ccc(S(=O)(=O)N5CCCCC5)cc4)cc32)cc1 222889179 AWENVGLRXAWLLC-UHFFFAOYSA-N 547.677 4.644 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 223049713 JXFGEVAHBWCNRW-FCHUYYIVSA-N 572.127 4.876 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223149604 RNWLLEXJMMBVAO-QFIPXVFZSA-N 572.127 4.878 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223184596 YTKUJCWPOOAVRV-JGCGQSQUSA-N 599.753 4.975 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 223249585 HYGPICYNMYOXFM-HSZRJFAPSA-N 569.699 4.672 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 223264519 IZIJXSAUWOLCBF-GOSISDBHSA-N 555.311 4.620 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 223432652 UHLBVRWUUXACAG-DEOSSOPVSA-N 551.709 4.533 0 40 KJAB COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)NCc2cccnc2)c2ccccc2)cc1OC 223462672 BIHQWFLQGPFJDZ-SSEXGKCCSA-N 527.596 4.867 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 223592124 SARAKMPKPUXIBQ-SANMLTNESA-N 569.699 4.752 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 223617128 NTSMNJAHKUQNON-KDYSTLNUSA-N 574.118 4.800 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223926410 YFZXXFWGPCQDRB-LJQANCHMSA-N 578.518 4.751 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223994925 GDEUWXOOFDJFHC-GDLZYMKVSA-N 581.735 4.623 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 224008079 AEGYGCOOGFBZIO-NDEPHWFRSA-N 553.700 4.538 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 224213165 OBFHAHGTXRYBOA-NDEPHWFRSA-N 570.155 4.889 0 40 KJAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1 224650053 CVHRRQZGHRHYRI-KRWDZBQOSA-N 503.020 4.814 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 224728646 LWTJJBWJODQIEN-HXUWFJFHSA-N 586.552 4.699 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224797453 FGWUMKNHLKCVSC-HSZRJFAPSA-N 600.565 4.848 0 40 KJAB Cc1cccc(CN(C(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 224832509 ZFXCIGIJVUQCBN-PMERELPUSA-N 619.784 4.969 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 225186653 KSKPGIJBXPNZJE-QHCPKHFHSA-N 569.699 4.504 0 40 KJAB 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COc1ccccc1N(CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 260810910 UGWZXQVUCQEGNX-GOSISDBHSA-N 572.555 4.880 0 40 KJAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C[C@H]2CCCO2)cc1OC 260852574 SDGMCILSCDLXOI-WGURPXDASA-N 505.644 4.596 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1 260870652 DRRNRTNDEZWKQU-HSZRJFAPSA-N 569.699 4.528 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)cc1 260877931 HJZIAIHLAWBYMB-XMMPIXPASA-N 583.726 4.836 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 260904994 FHGACWJBJIHJCK-LSYYVWMOSA-N 549.737 4.955 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 260939116 IMUVSGXUIJKZHU-OALUTQOASA-N 542.529 4.708 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 260940533 IQQKRLOZDZEKKP-OALUTQOASA-N 572.555 4.880 0 40 KJAB 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548.894 4.908 0 40 KJAB CN(C)c1ccc(NC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409381326 SWYZZVJBQRNVNJ-FCHUYYIVSA-N 545.375 4.534 0 40 KJAB Cc1cccc(Cc2nc(N3CCc4ccccc4C3)ncc2C(=O)NS(=O)(=O)c2cccc(Br)c2)c1 585265685 OUBDUOPIGSALIF-UHFFFAOYSA-N 577.504 4.820 0 40 KJAB CC(C)N1CCCN(S(C)(=O)=O)c2cc(Cl)ccc2CN(C(=O)CCc2nc3ccccc3s2)CC1 643557740 ZYVRDKFFPSCRHL-UHFFFAOYSA-N 549.162 4.791 0 40 KJAB CC(C)N1CCCN(C(=O)c2ccccn2)c2cc(F)ccc2CN(C(=O)c2cc(-n3cnnc3)ccc2Cl)CC1 643561645 YFUUFXICAKSSGD-UHFFFAOYSA-N 576.076 4.858 0 40 KJAB COc1cccc(-n2nnc(C(=O)N3CCC4(CCCCOC[C@@H]5CCCN5C(=O)c5cccc(c5)OC4)CC3)c2C)c1 643563292 ZTNLMKCVWXGAHY-MHZLTWQESA-N 587.721 4.691 0 40 KJAB CC(=O)N1CCCCCCCN(C(=O)c2ccc3c(c2)C[C@@H](C)O3)Cc2ccc(CN3CCOCC3)cc21 643589153 OTJFXWBGDHYSDM-HSZRJFAPSA-N 519.686 4.802 0 40 KJAB COc1ccc([C@H](C(=O)Nc2ccc3c(c2)OCO3)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1OC 1418936 XOICXKABRSFISL-WJOKGBTCSA-N 597.603 4.725 0 40 KJAB 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O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1cc(C(F)(F)F)ccc1Cl 409226121 SXVLBBOSZNGGFP-UHFFFAOYSA-N 502.832 4.955 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(Br)cc1O 409229114 JYUUEFBSJBFXNM-CAOOACKPSA-N 511.781 4.882 0 40 KJAB O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 409260744 VQMBZCSJDZAQQD-MHZLTWQESA-N 593.752 4.540 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Br)c1OCC 409269492 CGMGDQWHJUXVGN-XDHOZWIPSA-N 535.416 4.930 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc(I)c1OC 409273372 QFXBBLSBNKMAMG-YBFXNURJSA-N 566.417 4.990 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)Cc2ccc(Cl)cc2Cl)cc1 409311748 HTLYZJWRVHQPJY-UHFFFAOYSA-N 521.422 4.538 0 40 KJAB COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cc3cc(Br)ccc3o2)n1C 409341122 CQNABBRORPOGAO-UHFFFAOYSA-N 501.362 4.508 0 40 KJAB CCC(=O)N1CCCN(C(C)C)CCCN(C(=O)CCc2nc(C(C)C)no2)Cc2cc(F)c(F)cc21 643581421 QROPCWSTJKUEOO-UHFFFAOYSA-N 519.637 4.680 0 40 KJAB 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4.923 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 261011206 UIGVFEIDHIFJAG-VXKWHMMOSA-N 557.663 4.801 0 40 KJAB COC(=O)c1cc(NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)ccc1Cl 408547314 IIEQHXJYSRAKJQ-UHFFFAOYSA-N 531.074 4.999 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 408552050 ROWPDIICQHHIJS-FYJGNVAPSA-N 606.470 4.663 0 40 KJAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)CC2)cc1C 408584556 RISOJPAWUVLTCU-UHFFFAOYSA-N 527.042 4.927 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(Cl)cc1Cl 408647279 UYUYHAGPPNTQQO-JYKFVMEGSA-N 529.807 4.940 0 40 KJAB Cc1c(Br)ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2)c1C 408665124 UJZLHTBKJZILEU-UHFFFAOYSA-N 512.198 4.729 0 40 KJAB CC(=O)c1ccc(NC(=O)COC(=O)CCCCCN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 408677176 DTZGYCQTIGGXCG-FBVYBBNNSA-N 564.638 4.824 0 40 KJAB 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C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(Br)cccc4s3)cc2)C1 9599642 VNUPBZXYYAGKSY-KBPBESRZSA-N 508.463 4.978 0 40 KJAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc4c(c3)OCCO4)c3cc(Br)ccc32)c(C)c1 9948503 DTUBESUEDYIIRC-MHZLTWQESA-N 522.395 4.845 0 40 KJAB Cc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4ccc5c(c4)Cc4ccccc4-5)CC3)n2)cc1 17042706 AAPUQOFMHLBABY-UHFFFAOYSA-N 511.651 4.919 0 40 KJAB COC(=O)c1cc2cc(NC(=O)CN(C3CCCCC3)S(=O)(=O)c3ccc(F)cc3)ccc2s1 20011045 HEQXQAUEIVUYNW-UHFFFAOYSA-N 504.605 4.789 0 40 KJAB CC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccccc1OC)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 20109397 GWGDORFOHOTDEY-DEOSSOPVSA-N 530.629 4.563 0 40 KJAB C[C@H](NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccccc1 44948826 UMNBMURDMBAGMZ-OZXSUGGESA-N 533.694 4.791 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)c2cccc(Br)c2)cc1C 59929938 IHFHOLDVVVPFAN-CYFREDJKSA-N 545.499 4.923 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1 59930055 ASIRZFAIHQSPON-UUOWRZLLSA-N 531.472 4.615 0 40 KJAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSCc3ccc(Br)cc3)cc2)n1 60018538 PSFFFMPSECCMRV-UHFFFAOYSA-N 521.462 4.529 0 40 KJAB CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)nc1C 97982308 JGRMOVIISGLIEB-UHFFFAOYSA-N 651.719 4.590 0 40 KJAB O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=S)NC(=O)C4c5ccccc5Oc5ccccc54)CC3)c(F)cc2c1=O 98005935 WLFLHLQRPGUWIR-UHFFFAOYSA-N 598.656 4.635 0 40 KJAB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1OS(=O)(=O)c1ccc(F)cc1 100374899 TZIAALXEMQIQIF-LPYMAVHISA-N 517.531 4.978 0 40 KJAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2cccc(I)c2)cc1 100381497 DOYDEFXKACYTKC-UHFFFAOYSA-N 545.402 4.584 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(Br)cc1 100398553 KQYAJZBKEZICAW-FJAKRLOMSA-N 548.220 4.803 0 40 KJAB C[C@H]1CN(c2ccc(Br)cc2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4Cl)c(=O)n3C)n2C1 101077533 CSOCDVVHHIUKQS-ZDUSSCGKSA-N 549.256 4.802 0 40 KJAB CCOC(=O)c1c(NC(=O)COC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)sc(C(=O)N(CC)CC)c1C 102147010 ASTHLNDEVOYLON-AALNIOGOSA-N 539.094 4.775 0 40 KJAB C[C@@H](OC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)C(=O)N1CCN(C(=O)c2ccco2)CC1 102642050 VSXKVHPFGJELBV-MRXNPFEDSA-N 523.998 4.740 0 40 KJAB CCS(=O)(=O)c1ccc(O)c(N/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)c1 102823285 ZPKMFOYWVKJNJF-XSFVSMFZSA-N 516.497 4.845 0 40 KJAB O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1 103070379 LMBWSJAYEKSYGJ-NRFANRHFSA-N 549.407 4.930 0 40 KJAB COC[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C 147366989 CNPVJJQCETWNEU-YADARESESA-N 533.639 4.501 0 40 KJAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1cccc(C)c1 150385158 ANSSQQDDVJWVDR-UHFFFAOYSA-N 680.853 4.858 0 40 KJAB O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCOCC1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 150449637 NXQOMSCJTMFBAU-UHFFFAOYSA-N 630.126 4.988 0 40 KJAB O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 216487397 XNUQJBHDXFGQJH-UHFFFAOYSA-N 509.971 4.916 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 222467408 DSDYPKYJXVWNMU-RBISFHTESA-N 629.751 4.769 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 222635997 KNVCOQBBYQCVFI-DEOSSOPVSA-N 535.710 4.831 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 223017396 GXVHLDMPPXJWFZ-XMMPIXPASA-N 553.700 4.971 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 223288946 LZZKJZUVHKZIIT-VWLOTQADSA-N 592.545 4.544 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 223335552 QGLVBNQDPWLKCQ-SANMLTNESA-N 576.546 4.844 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 223367212 MFMWNAZPCXZVJV-LJQANCHMSA-N 542.529 4.873 0 40 KJAB 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CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 224172464 AQYZGPGWTJBDLP-DEOSSOPVSA-N 534.122 4.589 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 224229028 KCKPIYMIXRCKKG-NDEPHWFRSA-N 535.710 4.751 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 224341397 AYOYOYWSIHVWDL-QHCPKHFHSA-N 554.540 4.934 0 40 KJAB O=C(Nc1ccc2c3c(cccc13)CC2)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 224367604 JSOJZVIOUOJFOL-UHFFFAOYSA-N 513.457 4.881 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 224652741 OETPSCUYFYJQML-JOCHJYFZSA-N 542.101 4.787 0 40 KJAB COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224761357 GMXWNRRELPQJMH-UHFFFAOYSA-N 510.631 4.895 0 40 KJAB CCOc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224805645 OULMBZNVPTZIDM-UHFFFAOYSA-N 546.064 4.806 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 224883831 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4.535 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN1C(=O)c2cccc3cccc1c23 225465727 ZVAHMTABRKQWET-QGZVFWFLSA-N 508.416 4.506 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 225471364 UNPPQZIIYJHTQT-HHHXNRCGSA-N 618.569 4.911 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(I)cc1 225551112 SVHQMGNYWIORLV-XMSQKQJNSA-N 522.427 4.701 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 225702481 TZQZCGKKRBKRAJ-VWLOTQADSA-N 572.127 4.876 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225738967 WHZNCSYQXPNRQF-FDDCHVKYSA-N 600.565 4.990 0 40 KJAB C[C@H]1Cc2cc(C(=O)N3C[C@@H](C(=O)NCc4ccccc4)Oc4ccccc43)ccc2N1S(=O)(=O)c1ccccc1 225850010 WLLHXZONWHQYTJ-CHJDUVSTSA-N 567.667 4.551 0 40 KJAB C[C@@H]1CCCN(c2cc(C(F)(F)F)nc(NC(=S)NCC3(c4ccc(F)cc4)CCOCC3)n2)C1 226002065 YGARBRCNOZXCCA-MRXNPFEDSA-N 511.589 4.906 0 40 KJAB Cc1cccc(CNC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 226024901 BYQQYHUTLWGILH-UHFFFAOYSA-N 521.864 4.918 0 40 KJAB COc1ccc(CN(C)C(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 226033648 YJZNOOPHSYFWCO-UHFFFAOYSA-N 531.472 4.616 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)C)c1 260740417 MKLSWVMEPWMJGU-OAQYLSRUSA-N 602.551 4.595 0 40 KJAB Cc1c(Cl)cccc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 260741517 AVCWGQIBIGXKFV-GOSISDBHSA-N 540.513 4.544 0 40 KJAB COc1cccc(CN(C(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)c1 260802686 PRLLMOXSFCVFDY-XMMPIXPASA-N 557.757 4.724 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 260823732 ZHRJXALXCMINOW-OAQYLSRUSA-N 663.578 4.827 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC(C)C)c2ccc(C)cc2)cc1OC 260871866 KRHNTQJSYZJHNX-JOCHJYFZSA-N 646.604 4.912 0 40 KJAB 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NTYYFJFHFYLTFP-NVNXTCNLSA-N 532.281 4.985 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C(=O)O)cc5)o4)c(=O)n32)c(OC)c1 408975386 AXUALXVKHPZOSU-JLKMOJGBSA-N 621.671 4.849 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3ccc(OCC(=O)O)c(Br)c3)c2=O)=N1 409017089 JVAXARKNHHMPCC-WLBMKMHBSA-N 665.562 4.966 0 40 KJAB COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(Br)ccc4OC(C)C)c(=O)n32)c1 409021572 NXPDCDWPFZOQAY-NFYDWNOTSA-N 615.546 4.754 0 40 KJAB Cc1ccc(CNC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 409062179 PDAGSZYYFHFCHW-UHFFFAOYSA-N 501.446 4.573 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1 409070370 YVRWQIYRFSYIBM-OTGIAGGSSA-N 611.410 4.565 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc(I)c1OC 409071100 OMJWGVLVHJJPOO-BOPFTXTBSA-N 511.337 4.948 0 40 KJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 409127225 GXJCWERZABVKAW-GOSISDBHSA-N 500.020 4.702 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OCC)c3)C2=O)cc1OC 409152652 FUXSLKDYBDJMTM-JMIUGGIZSA-N 655.907 4.905 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409158123 NSYOPGKEQZYPEX-RPPGKUMJSA-N 589.626 4.733 0 40 KJAB COc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)cc(Cl)c1OCC(=O)Nc1ccccc1 409264366 FEYDOBGRODMDQE-UHFFFAOYSA-N 510.059 4.859 0 40 KJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cn(CC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)C2=O)c1 409273613 KIKQGTGYLXDQQL-ZRGSRPPYSA-N 568.611 4.992 0 40 KJAB COC(=O)c1ccccc1NC(=O)CSc1nnc([C@@H](CC(C)C)NC(=O)c2ccccc2Cl)n1C 409365866 PGWAMOQYJTVUDU-HXUWFJFHSA-N 530.050 4.503 0 40 KJAB CC(C)CN1CCOCCOc2ccc(C(=O)N(CCO)Cc3ccccc3)cc2Cc2cccc(c2)C1 643579917 LEEBSTBRYYMJJJ-UHFFFAOYSA-N 516.682 4.779 0 40 KJAB CCC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)Cc3ccc4c(c3)OCO4)Cc3ccccc31)N2Cc1ccncc1 1615146052 GQZOUXPRCLPMOX-IZLXSDGUSA-N 554.691 4.952 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 902402 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COc1cc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(C)c(C)c2)cc(OC)c1OC 97898295 OGIPUSJPAXBPKP-PNOGMODKSA-N 503.555 4.756 0 40 KJAB COc1ccc(NC(=O)CSc2nc(-c3cccc(OC)c3)nc3c2Cc2c(CO)cnc(C)c2O3)cc1 97986942 JPEPCVNNOBPUDP-UHFFFAOYSA-N 530.606 4.784 0 40 KJAB O=C(NCC(=O)N(c1cccc(C(F)(F)F)c1)[C@H](C(=O)NCc1ccco1)c1ccccc1F)c1ccco1 100413436 NFLLNQRZIUQPES-DEOSSOPVSA-N 543.473 4.851 0 40 KJAB COc1cccc2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)nc12 100931725 MHOCYZUFKYFSNU-UHFFFAOYSA-N 550.706 4.655 0 40 KJAB COc1cc(NC(=O)C(C)(C)N(C[C@@H]2CCCN3CCCC[C@H]23)C(=O)c2cc(OC)cc(OC)c2)cc(OC)c1 101378458 NNEKNKRPIKOYEZ-RBTNQOKQSA-N 553.700 4.845 0 40 KJAB COc1ccc(NC(=O)[C@H](c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)c(OC)c1 101387268 ZZWBJCIBRPPYDJ-YTTGMZPUSA-N 595.656 4.875 0 40 KJAB COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1OC 103085487 DNYLXAFHLCSCAC-UHFFFAOYSA-N 622.121 4.641 0 40 KJAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2)C1 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GOCHDDMKMQVNJB-NHCUHLMSSA-N 518.424 4.812 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 223452931 GRONZZCHIAIGNA-NRFANRHFSA-N 552.137 4.537 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 223772916 AECKZNOAHHDXQQ-VWLOTQADSA-N 577.747 4.983 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 223995478 QDESQUGUHBRVLU-MHZLTWQESA-N 556.128 4.581 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 224185784 KTGNJJZAKOVNBF-RUZDIDTESA-N 542.101 4.787 0 40 KJAB COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1COc1cc(C)cc(C)c1C 224281895 VQGGXZKIJDQBTK-UHFFFAOYSA-N 502.611 4.886 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)cc1 224289166 HJZIAIHLAWBYMB-DEOSSOPVSA-N 583.726 4.836 0 40 KJAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 224552027 XMYNSMAVFZOMCZ-UHFFFAOYSA-N 585.726 4.853 0 40 KJAB 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CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 223023600 KUOBZNJFFGCYCQ-HHHXNRCGSA-N 535.710 4.669 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 223038108 LRDCNWQKNDJLEM-JOCHJYFZSA-N 586.552 4.815 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 223091036 RKOWAPXUMCGPHH-WJOKGBTCSA-N 599.753 4.975 0 40 KJAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)cc2)cc1OC 223115935 JRSMUYONILFFPL-UHFFFAOYSA-N 545.042 4.953 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 223163517 OUYOWCUOVCEUSL-PMERELPUSA-N 563.764 4.934 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 223185196 MTOHFYSMMCVLOC-JGCGQSQUSA-N 629.779 4.984 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 223432011 JZYGYAIHMBIWHZ-AREMUKBSSA-N 597.709 4.514 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1cc(OC)cc(OC)c1 223465525 GAKNWHFYPXTJAU-RNWIMVQKSA-N 518.654 4.946 0 40 KJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 223527145 ZFXNZQLXGLJKLZ-DEOSSOPVSA-N 553.700 4.706 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1C 223546446 WEOFFYQKHXQENN-XMMPIXPASA-N 509.444 4.913 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 223640210 FRPYPUPKRKKXPV-AJTFRIOCSA-N 596.149 4.820 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223681130 ZTOZUIHJGMJRDG-HHHXNRCGSA-N 595.762 4.664 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 224229255 UBQDPSLOJJTWBD-FQEVSTJZSA-N 536.138 4.593 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 224362786 ZJIFGAWMHHSGGQ-MRXNPFEDSA-N 593.371 4.711 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 224408733 IGHNXXCAWOPYQL-HSZRJFAPSA-N 542.529 4.826 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 224410000 GRRRVMKQYAVNMC-SFHVURJKSA-N 560.519 4.868 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCO2 224609828 AQPMVIQVWFPSBH-SANMLTNESA-N 502.611 4.523 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 224618485 AQONRVDGEJGXOQ-QFIPXVFZSA-N 572.127 4.794 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 224850647 BSUCBAUAPFZOEN-QHCPKHFHSA-N 539.673 4.581 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224914672 UYTNMVNSXHJVRA-MHZLTWQESA-N 569.699 4.609 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc(OCC)cc1)S(C)(=O)=O 224973863 PUQLBLPGHXXJEC-IBGZPJMESA-N 572.555 4.882 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)C)cc1Br 225000182 CSVTYCOHRYADIG-SFHVURJKSA-N 505.453 4.903 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 225086434 SANITVDWDDDELT-MUUNZHRXSA-N 535.710 4.778 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 225186061 XBBPYCFYFRVHCP-OAHLLOKOSA-N 566.910 4.886 0 40 KJAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 225431652 TZOYRHLUTDOMOL-NDEPHWFRSA-N 553.700 4.706 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 225461820 MADPMJHWELFEEK-RBJSKKJNSA-N 535.710 4.912 0 40 KJAB COc1cccc(-c2noc(CSc3nc4ccccc4c(=O)n3CCc3ccccc3)n2)c1OC 225530500 DHZAIYRGKQEYCM-UHFFFAOYSA-N 500.580 4.999 0 40 KJAB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C(=O)O)cc1)Nc1ccccc1F 225618037 HMKBQGUOEIQYJX-UIOOFZCWSA-N 529.597 4.711 0 40 KJAB COc1cc2cc([C@@H](c3nnnn3C3CCCCC3)N(Cc3ccco3)C[C@H]3CCCO3)c(O)nc2cc1OC 253499329 ZILPBMDUAMPONX-AMGIVPHBSA-N 548.644 4.813 0 40 KJAB CO[C@H]1C[C@@H](O[C@@H]2C(C)=CC[C@H]3C[C@@H](C[C@]4(C=C[C@H](C)[C@H](C(C)C)O4)O3)OC(=O)[C@@H]3C=C(C)[C@H](O)[C@@H]4OCC(=CC=C[C@@H]2C)[C@@]43O)O[C@@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O)[C@@H](C)O1 254793079 ZFUKERYTFURFGA-GACIRYIHSA-N 859.063 4.987 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)cc1 260748922 CGLLNEULPQYHIZ-RUZDIDTESA-N 547.721 4.975 0 40 KJAB Cc1cccc(C)c1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O 260865714 COOJVPSQVWTVAO-LJQANCHMSA-N 542.529 4.566 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 260906735 FHUGAEPXVCAXDR-YWEHKCAJSA-N 595.762 4.930 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1Cl 260929845 ONKOKBURKMKLGC-HXUWFJFHSA-N 582.138 4.900 0 40 KJAB CC(C)c1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 261020233 VKOGUISHTLTTJM-HXUWFJFHSA-N 534.122 4.706 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 261045717 ZISYBPKYQMFGPG-DWACAAAGSA-N 569.699 4.752 0 40 KJAB O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 408546797 VYXQJJWCZICHPO-HHHXNRCGSA-N 501.564 4.829 0 40 KJAB O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 408575693 PKHMWEVVPVHLCM-RNWIMVQKSA-N 515.635 4.622 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)c1ccc(F)cc1 408585177 CDZUUIMELXKRCD-UHFFFAOYSA-N 554.381 4.581 0 40 KJAB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408625569 XLPBETAWDBRKTJ-UHFFFAOYSA-N 552.018 4.899 0 40 KJAB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2cc(I)c(O)c(OC)c2)C(=O)O)n[nH]1 408631168 FPHQKDPMBYZGAL-CHHVJCJISA-N 559.769 4.670 0 40 KJAB O=C(CCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCC(=O)c1ccc(F)cc1 408647285 BOWTVLGYGKPQSS-BVSWHAQMSA-N 552.385 4.535 0 40 KJAB CC1=CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@@H]4CC(=O)N(c5cccc(Cl)c5Cl)C4)c3)C(=O)[C@H]2C1 408660855 LQPIUVPIERQIDC-MNEFBYGVSA-N 513.377 4.798 0 40 KJAB Cc1ccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408662346 RIHCMHPNSRMYKK-MSEWMRPVSA-N 548.422 4.703 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccccc4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 408786280 OEMZFDKYHCTSTI-VOZFUJEASA-N 520.607 4.682 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1OC 408837595 JNYLIZDZQQLFMN-BHSBJAHRSA-N 750.917 4.549 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)cc(I)c3O)c(=O)n2[C@@H]1c1ccccc1 408926993 VCWASNQLRYAQBD-OBVMJLIASA-N 642.902 4.899 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408987930 PRYVMXUXEQFKEU-SJJVXOANSA-N 534.678 4.503 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@H]1c1ccc(SC)cc1 408998023 PYEKXGJWGKNXCH-OLIAQGHGSA-N 542.682 4.666 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(Oc2ccccc2)cc1 409027551 KUIVJMXOFZULNO-UHFFFAOYSA-N 521.639 4.946 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4F)c4ccccc34)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409037196 SMDRAYNCVHGRQH-JGAYHZFGSA-N 683.758 4.891 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(Cl)cc3)c2=O)=N1 409041760 JOIQBCHYZCMTIY-FJWZAKCXSA-N 531.461 4.894 0 40 KJAB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 409061380 WSEVYSPTXLETNC-UHFFFAOYSA-N 576.944 4.638 0 40 KJAB CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)c2ccc(C)cc2)cc1 409119361 TZDDDXUFSYCIJM-UHFFFAOYSA-N 525.696 4.937 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 409125210 DMJXCZAYIZIRNJ-FYJGNVAPSA-N 595.899 4.975 0 40 KJAB COCC(=O)N1CCCCCCCCN(C(=O)c2cccc(CN3CCCC3=O)c2)Cc2ccccc21 618017240 IBJMUXMSHQPQKU-UHFFFAOYSA-N 505.659 4.785 0 40 KJAB Cc1onc(C(=O)N2CCN(C(C)C)CCCN(C(=O)CC(C)C)c3cc(Cl)ccc3C2)c1CN(C)C 643566275 WEAXAMBULCZNGA-UHFFFAOYSA-N 532.129 4.834 0 40 KJAB CCCOc1ccc(CN2CCOc3ccccc3Oc3ncccc3C(=O)N(C)CC2)cc1CN(C)C 643569810 SCMSHJRMWJVIGT-UHFFFAOYSA-N 518.658 4.691 0 40 KJAB COCCN1CCCCCCN(C(=O)c2cccc(OC)n2)[C@@H](Cc2ccccc2)COc2ccccc2C1=O 643583669 DSQRFFSWEPHMGB-SANMLTNESA-N 545.680 4.885 0 40 KJAB CC(=O)NC(=S)Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1 5943892 QOVLWEVWJKOYOW-UHFFFAOYSA-N 516.158 4.695 0 40 KJAB CCOC(=O)c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)cc1 6599901 QBNNVZFZCHKRIM-LJAQVGFWSA-N 581.625 4.810 0 40 KJAB CCOc1ccccc1N(C(=O)Cn1nnc(-c2ccccc2F)n1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 6631396 LBSNWAUJYRVZBY-NDEPHWFRSA-N 560.605 4.850 0 40 KJAB COc1ccc([C@@H](C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccccc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1OC 8695786 MRXLKOSKTRFYTN-YTTGMZPUSA-N 606.679 4.708 0 40 KJAB CCCOc1ccc([C@@H]2CN3C(=O)CN(Cc4ccco4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC 8789685 LSLVFWMUKWSLGU-CHJDUVSTSA-N 513.594 4.790 0 40 KJAB biogenic CCCCN(CCCC)S(=O)(=O)c1cc(S(=O)(=O)N(CCCC)CCCC)c(OC)cc1OC 8834294 CURJKWHJWVGAEQ-UHFFFAOYSA-N 520.758 4.886 0 40 KJAB 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4.616 0 40 KJAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](NC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(Cl)(Cl)Cl 70673172 DRALDEYSNGRUOW-UCKQOEPVSA-N 586.800 4.546 0 40 KJAB Cc1ccccc1C(=O)CN1C(=O)[C@@H](NC(=O)NCc2ccccc2)N=C(c2ccccc2)c2ccccc21 95929333 JBHLTARXFCTZNL-SSEXGKCCSA-N 516.601 4.887 0 40 KJAB COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCC(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)cc2)cc1 97948091 YQDUMXZBPKJGAF-GOSISDBHSA-N 551.979 4.922 0 40 KJAB CC[C@@]1(C(=O)c2ccc(Br)cc2)[C@H]2c3cc(Br)ccc3OC(=O)[C@@]21C(=O)OC 100129555 RWTSRXYOMIUXBG-CZAAIQMYSA-N 508.162 4.667 0 40 KJAB Brc1ccc2c(c1)Oc1cc(Br)ccc1OCCOCCOCCOCCOCCO2 101092979 SXPSQGRDTOLRJK-UHFFFAOYSA-N 562.251 4.842 0 40 KJAB CC1(C)O[C@H]2[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@@H](n3cnc4c(N)ncnc43)[C@H]2O1 101132759 WEESNKCZWANQSJ-WJLKJTLYSA-N 549.631 4.835 0 40 KJAB COc1cc(C(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC 101336896 UWEKPBCCLOYVDG-HXUWFJFHSA-N 543.498 4.728 0 40 KJAB 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CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 223397079 ODGHOIQHQUGBAS-XMMPIXPASA-N 536.138 4.917 0 40 KJAB CCOc1ccc(N(CC(=O)NCCOc2ccc3ccccc3c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 223596677 VDPVSNQYIVCTHH-UHFFFAOYSA-N 564.660 4.646 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Br)c(C)c1 223616505 JLMGIOFAFMVURZ-JOCHJYFZSA-N 505.453 4.867 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(C)(=O)=O 223699158 ZXAYWVIIOZNTHO-RUZDIDTESA-N 562.519 4.536 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223727033 HYYRIVDFHRGAFF-MUUNZHRXSA-N 655.814 4.948 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)c2ccc(C)cc2)cc1 223738618 PHVWEQMJVCGSFL-UHFFFAOYSA-N 510.656 4.692 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223869063 XEMBRJAKTFMDAI-JOCHJYFZSA-N 542.529 4.792 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 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632.179 4.895 0 40 KJAB CC(=O)c1cccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)c1 224830588 KUHSMBMXXKKMDT-HKBQPEDESA-N 589.758 4.663 0 40 KJAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-n3cnnc3)c2C)ccc1Br 224922481 AYBTXFWXDIYQRR-VXKWHMMOSA-N 508.449 4.651 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 225113908 IEZWJMYIZFAGKQ-LJAQVGFWSA-N 689.616 4.765 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 225150669 YATDJSKWCRKQOF-HHHXNRCGSA-N 539.673 4.663 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225158508 FCRPLBQYQXQDFM-XMMPIXPASA-N 522.111 4.528 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 225171648 JUTRLKQLALJCAM-NDEPHWFRSA-N 595.762 4.850 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1Cl 225211418 UDCVXOXKZIDATI-SFHVURJKSA-N 614.990 4.743 0 40 KJAB 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225445266 GXKFALPVEJRLCT-RTBURBONSA-N 523.503 4.763 0 40 KJAB COC(=O)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)cc1 225469373 UFPSFXPCIJBTKF-UIOOFZCWSA-N 561.689 4.516 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 225549763 CTPJPXRBAIDARL-NDEPHWFRSA-N 660.631 4.789 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 225645057 ADJNNAIQEHUNME-PMERELPUSA-N 579.763 4.634 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O 225646500 NBVZOPYJLIUKBG-SSEXGKCCSA-N 579.763 4.580 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCCO2 225655827 CGWNKSQQBBCFII-NDEPHWFRSA-N 530.665 4.955 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225711258 KGINQAWHLGUJPB-SANMLTNESA-N 602.153 4.885 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225744974 ZMFFDIYZQGGSJS-OPAMFIHVSA-N 562.947 4.989 0 40 KJAB CN(C(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 226034481 JSVLRKKCANQWCW-UHFFFAOYSA-N 507.837 4.956 0 40 KJAB CCc1ccc([C@@H]2CC(c3ccc(OC)cc3)=NN2C2=NC(=O)[C@H](CC(=O)N[C@H](Cc3ccccc3)C(=O)O)S2)cc1 252445530 WSAJWXRLACABMU-PKTNWEFCSA-N 584.698 4.609 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(F)cc3)Oc3ccc(C(C)(C)C)cc32)cc1 260841630 BDEUGUMGQRZYCU-AREMUKBSSA-N 526.630 4.583 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 260899165 NNMDBGKJGXEASJ-ZEQRLZLVSA-N 581.735 4.540 0 40 KJAB Cc1cc(Cl)ccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 260934422 MHFSTPOGPJSIAU-MUUNZHRXSA-N 588.145 4.966 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 260986107 OZGFKBSZLRDBTR-NQIIRXRSSA-N 542.529 4.790 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 260997338 DPHFBTSMDQMZMH-RNAHPLFWSA-N 579.763 4.633 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 261068075 PAWGZULRFAZTFT-GIGWZHCTSA-N 567.727 4.781 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 261081795 RLIZBXDCWOLDPL-LXFBAYGMSA-N 570.155 4.969 0 40 KJAB CCC[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](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC 299872189 RQYGKZGKXDOUEO-KYCVKNCASA-N 806.047 4.863 0 40 KJAB in-vitro CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408552759 VCIXSNMLFDTZEG-FYJGNVAPSA-N 545.013 4.675 0 40 KJAB COc1ccc(OC)c(NC(=O)CCN2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408669843 XFOUOGOXGFQMCD-HVJZFTSCSA-N 551.426 4.626 0 40 KJAB Cc1cc(C)cc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408670642 YDTYTUKNAGVXTR-QULSYZCUSA-N 505.401 4.835 0 40 KJAB C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)Nc4ccc(Br)c(Cl)c4)c3)C(=O)[C@H]2C1 408690584 VZNDYULMJDCBRK-XWIAVFTESA-N 533.806 4.824 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1C 408711193 GJKCPWPJJNMYPU-UHFFFAOYSA-N 543.711 4.906 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc(Cl)c1OCC(=O)O 408876952 SAOIYUVYTHGXII-IUXPMGMMSA-N 558.918 4.896 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC 408912039 KMEFGKNRMOLQRO-ZIPXEUHISA-N 730.602 4.552 0 40 KJAB Cn1c(Cc2cccc3ccccc23)nnc1SCC(=O)N1CCN(c2nc3ccccc3s2)CC1 408985620 NZLHDMVWXJIUHY-UHFFFAOYSA-N 514.680 4.610 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409001322 PCDXXQOIBTXCAU-ARYJOXFRSA-N 512.656 4.658 0 40 KJAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(Cl)cc(Cl)c3Cl)c2=O)=N1 409032648 CUXBAUGAUIIQRU-PLMLNFJUSA-N 507.826 4.759 0 40 KJAB CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 409124641 BCDLJUVKQGSAAD-UHFFFAOYSA-N 501.413 4.994 0 40 KJAB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)cc1OC 409159316 SOYXJLPSIRZFRE-MTJSOVHGSA-N 533.002 4.989 0 40 KJAB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(CC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)C2=O)cc1 409184272 VTWRPNMWVVBCOO-ZRGSRPPYSA-N 584.610 4.692 0 40 KJAB CCCOC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(Cl)cc3Cl)n2C)c1 409341112 CPMUDHOBXKJIDQ-CQSZACIVSA-N 550.468 4.911 0 40 KJAB COc1ccc(CN2CCC(O)(COc3cccc(Cl)c3)CC2)cc1OCCCN1CCCCCC1=O 585280243 KLKZQJFYNGWYBO-UHFFFAOYSA-N 531.093 4.926 0 40 KJAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)CSc2nnc3c(C)cc4ccc(OC)cc4n23)cc1 877274 BBDOXJFQVXUVDK-NRFANRHFSA-N 553.710 4.884 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C(=O)NC3CCCCC3)c3cccs3)n2)cc1 906454 MIHHWWJMQXHHJD-HHHXNRCGSA-N 562.671 4.768 0 40 KJAB COC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2ccccc2C)cc1 1372544 CQJBQOIPZZCQTH-SSEXGKCCSA-N 547.615 4.617 0 40 KJAB CC[C@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(-c4ccc(Br)cc4)coc3cc2oc1=O)C(=O)O 2133427 KPBSHIAMKZYHCY-RXBISOJRSA-N 583.435 4.551 0 40 KJAB biogenic COc1ccc(CNC(=O)c2c(N)n(-c3ccc(Br)cc3)c3nc4ccccc4nc23)cc1OC 2291545 CFIVPMBDAJIRDK-UHFFFAOYSA-N 532.398 4.866 0 40 KJAB O=C(OCc1csc(-c2ccccc2)n1)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 2657031 JBAVWTXTWOAEQK-UHFFFAOYSA-N 519.648 4.678 0 40 KJAB O=C(O[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCC3 3329135 MIHJNSBGEIAIDG-QHCPKHFHSA-N 507.468 4.898 0 40 KJAB COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(Br)c2)nc1C 3643245 IIMZNIPQZNMTBE-KRWDZBQOSA-N 511.353 4.857 0 40 KJAB COc1ccc(NC(=O)[C@H](c2cccs2)N(Cc2ccccc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 3773505 MSEXKZVHVYHHKH-MHZLTWQESA-N 539.613 4.695 0 40 KJAB CCOc1cc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc(OCC)c1OCC 4123101 GXLHKNOKWAPKGB-UHFFFAOYSA-N 576.719 4.972 0 40 KJAB O=C(OC[C@@H]1OCO[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 5338928 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4.733 0 40 KJAB Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)N(Cc3cccs3)C[C@@H]3CCCO3)c(=O)[nH]c12 19973126 WTGKMBOEXMTHOO-OFVILXPXSA-N 504.660 4.770 0 40 KJAB COc1ccc([C@@H](C)NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 20011838 NSSABFSOIPMBAI-LJQANCHMSA-N 517.047 4.734 0 40 KJAB CCOc1ccc(N([C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 20061116 RXVYVOQGIWKEED-OAHLLOKOSA-N 505.489 4.596 0 40 KJAB CCN(CC)CCCN(C(=O)c1ccc(CN2CCOCC2)o1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 28456830 NPCAUFSEDUJPFX-GDLZYMKVSA-N 556.723 4.615 0 40 KJAB CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)cc1OC 40033088 ZIAWHVFUQZQBSO-HDFSHUSISA-N 524.642 4.735 0 40 KJAB CSc1ccc(S(=O)(=O)NCc2ccc(CN3CCCCC3)cc2)cc1C(=O)N1CCC(C)CC1 44875125 BMJYWKVESZDATN-UHFFFAOYSA-N 515.745 4.745 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 59884540 IGEGUYZPJZKLPL-UHFFFAOYSA-N 606.044 4.881 0 40 KJAB CC(C)(C)OC(=O)NCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 68605670 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CC(C)[C@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]21 101506402 MBVXBBBUSFLOFU-RWJVBYDYSA-N 545.426 4.683 0 40 KJAB CC(C)[C@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]21 101606701 GVFOAYGGUFXSIM-RWJVBYDYSA-N 545.426 4.683 0 40 KJAB COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@@H]3C[C@@H]4C[C@@H]3c3ccccc3)c2)cc1 102512387 NOJLYHLLLZUMDR-PVNFNAHNSA-N 509.558 4.664 0 40 KJAB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@H]3C2=O)cc1 102727434 SLFHHAKBDIOKSZ-BHIFYINESA-N 517.994 4.912 0 40 KJAB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccc(OC)cc3)cc2)cc1 102816580 RVYVWFLKJFUIMQ-UHFFFAOYSA-N 534.565 4.955 0 40 KJAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]3[C@@H]2C1=O 103521937 BAFBBVDTECOYKN-VPBXCIAMSA-N 512.949 4.525 0 40 KJAB COc1ccccc1N1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)CC1 106630480 QKPMKPSZAIPASM-UHFFFAOYSA-N 547.599 4.567 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c2ccc(Cl)cc2C)cc1 215899552 ZGZFSFHESIQQIR-UHFFFAOYSA-N 585.107 4.987 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 222563737 CITYKHVIDFHDEI-PMERELPUSA-N 633.742 4.733 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 222637401 OSEUYMSIPVBQIZ-DEOSSOPVSA-N 565.736 4.921 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 222807332 BNSMCEOJBZNXSW-HHHXNRCGSA-N 616.578 4.985 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Br)cc1Cl 222886409 HHGXOAYJTBYHRS-HXUWFJFHSA-N 511.844 4.822 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 222912563 HTRKNCYNYQNVPY-NDEPHWFRSA-N 553.700 4.704 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 223250847 ZBWHPXUILNGJJV-QHCPKHFHSA-N 599.725 4.680 0 40 KJAB O=C(NC[C@H]1CCCO1)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223398122 IQUQWJJSIRTQSJ-GRKNLSHJSA-N 610.176 4.779 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 223422476 NUFRCZPKMCCZLJ-NRFANRHFSA-N 556.681 4.719 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 223587727 HJKDZPTYJHEPMG-MHZLTWQESA-N 618.569 4.911 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN1C(=O)c2cccc3cccc1c23 223755986 DCMLQDCPKXFGCN-NDEPHWFRSA-N 521.617 4.585 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223817246 JUXORNRCFFXGJQ-INIZCTEOSA-N 560.931 4.889 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 223963498 QFUAUJOHWFGMOR-LJAQVGFWSA-N 581.735 4.977 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223983490 DLBDFXDHQMPADO-RBISFHTESA-N 616.180 4.678 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 223986612 CDOSHRNTUKGHIZ-SKCUWOTOSA-N 677.605 4.621 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 224006930 OZNQDIDCKCATPX-FYBSXPHGSA-N 579.763 4.651 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 224149434 LPPSZHJRYOUFJE-LJAQVGFWSA-N 579.763 4.716 0 40 KJAB Cc1ccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1Cl 224153085 DMQSGMCZBYZZRV-QGZVFWFLSA-N 519.878 4.692 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O 224326583 PXFXSPSZSBNTIX-SFHVURJKSA-N 542.529 4.511 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 224403274 CNSOMJMGACVKLJ-HHHXNRCGSA-N 590.518 4.992 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 224670789 UCCSFONLBGDIAH-RUZDIDTESA-N 535.710 4.751 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224726268 AWWRIEAFBWEHFM-JOCHJYFZSA-N 602.153 4.804 0 40 KJAB COc1ccccc1OCC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 224940810 BFWHFDFIFSXJJS-SANMLTNESA-N 504.602 4.912 0 40 KJAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)c1 224965644 IQLPWJCBHCIMIS-GOSISDBHSA-N 577.497 4.856 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 225016013 NXWZCWCPPVUSFH-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 225034056 SMUHOKXLEXRBRW-XZOQPEGZSA-N 569.699 4.670 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 225035663 GATZAZNUTYTDQK-FCHUYYIVSA-N 536.138 4.835 0 40 KJAB CCn1c(=O)sc2cc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)cc4Cl)CC3)ccc21 225099953 NMRONGJFJNDXSU-UHFFFAOYSA-N 528.483 4.570 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 225161693 YCKQWGDAIGXCLU-HXUWFJFHSA-N 522.111 4.563 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 225178682 ZVJASSLJCHPQML-FCHUYYIVSA-N 572.127 4.876 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 225333234 FMQYMFMXRMOTSB-HKBQPEDESA-N 592.806 4.781 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225499100 NXIULGCAQMKUHC-QFIPXVFZSA-N 586.552 4.895 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 225504343 ZJFALURCCOKNNZ-QHCPKHFHSA-N 539.673 4.580 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 225549354 SMZZYDKSRRZIIK-NDEPHWFRSA-N 630.605 4.780 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 225636872 HSXIQAPKHNHEIW-CJFMBICVSA-N 552.137 4.617 0 40 KJAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)CC1 226048284 WHTPXPCPWFEZOV-UHFFFAOYSA-N 540.686 4.955 0 40 KJAB CCc1cc(Br)cc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 226050001 UYTBIBMFKDPBTO-INIZCTEOSA-N 513.429 4.507 0 40 KJAB Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 226082282 QOYFRQGMMTUPDR-UHFFFAOYSA-N 515.857 4.958 0 40 KJAB Cc1ccccc1S(=O)(=O)N1CCC[C@@](COc2ccccc2)(CC(=O)N(C)Cc2ccccc2)C1 257211623 BZOVBPKOWAUCDN-GDLZYMKVSA-N 506.668 4.894 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@]3(CCCN(CC(=O)Nc4cccc5c4CCCC5)C3)OC[C@@H]2Cc2ccccc2)cc1 257315796 VCUFZGXKFSIVPE-ZBWWXOROSA-N 587.786 4.979 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 260720122 GIZMMZMFECVFPJ-XMMPIXPASA-N 565.736 4.703 0 40 KJAB COc1cccc(CN(C(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 260933107 BKSLHVJJEJVKEW-WJOKGBTCSA-N 621.800 4.949 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c1 260939380 NSEQABABIKBYPQ-GDLZYMKVSA-N 567.727 4.621 0 40 KJAB Cc1ccccc1CN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C 260943600 PPWWKOBIAXRYSR-MUUNZHRXSA-N 570.155 4.681 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 261044569 ZDCOFJTVYYPOHB-PKTZIBPZSA-N 539.673 4.661 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 261054659 MRPNFBSEAGYZGU-AMGIVPHBSA-N 586.154 4.669 0 40 KJAB COc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(C)cc3C)cc3cc(Br)ccc32)cc1 408576777 MRKJLBJUPVLLNX-UHFFFAOYSA-N 535.398 4.990 0 40 KJAB O=C(Nc1ccc(I)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 408584446 PUOQSCGGIHKNGK-HXUWFJFHSA-N 585.261 4.582 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1 408640033 ACLRFWDHANUZAM-DQEYMECFSA-N 544.991 4.975 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Cl)cc4)c(=O)n32)cc1 408851761 NRZOCBMDHYWJCD-FCYPAOMHSA-N 530.049 4.926 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408908402 DUBXEAZXLYLOPR-RWDZFFNTSA-N 554.668 4.733 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(s/c(=C\c3ccc(OC(C)C)cc3)c2=O)=N1 408923608 GUMUNRQTVUHQFQ-ZDQFFALBSA-N 515.660 4.723 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OCc1ccccc1 409139770 DUXASRHMMIESEM-OVVQPSECSA-N 559.644 4.786 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cccc(OCCOc3ccccc3)c2)C1=O)Nc1ccc(N2CCOCC2)cc1 409143003 SVWHLTUWERFHEM-NHFJDJAPSA-N 559.644 4.656 0 40 KJAB O=C(COc1ccc(N2C[C@@H](C(=O)NCCc3ccccc3)CC2=O)cc1)Nc1cc(Cl)cc(Cl)c1 409164153 DCYRKNZFLDGHSM-IBGZPJMESA-N 526.420 4.723 0 40 KJAB CCc1ccccc1NC(=O)COc1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1OC 409261567 DBJXOFMETOYKAZ-UHFFFAOYSA-N 503.668 4.768 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cc(OC)cc(OC)c3)n2CC)sc2c1CCCC2 409371902 JLYLPVJUOMTVOR-UHFFFAOYSA-N 530.672 4.830 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(=O)Nc4ccccc4C)c(Cl)c3Br)C2=O)o1 409399090 HTSKQYDOTRPTHW-ZDLGFXPLSA-N 632.851 4.910 0 40 KJAB O=C(CN1CCCCCOc2ccccc2Oc2ncccc2C1)N1CCN(Cc2ccc(F)cc2)CC1 643575847 QPXYNLCAZYNGRW-UHFFFAOYSA-N 518.633 4.722 0 40 KJAB Cc1ccc(C)c(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)[C@H](C(=O)NCc2ccc(F)cc2)c2ccncc2)c1 888137 NRWQZFCGPSBPPQ-LJAQVGFWSA-N 567.600 4.721 0 40 KJAB Cc1cc(C)c(S(=O)(=O)c2ccc(Cl)cc2)c(S(=O)(=O)c2ccc(Br)cc2)n1 1403454 UQBQOGWYMMLNPX-UHFFFAOYSA-N 500.823 4.780 0 40 KJAB Cc1c(NC(=O)c2c(N)n(-c3cccc(Cl)c3)c3nc4ccccc4nc23)c(=O)n(-c2ccccc2)n1C 2284413 JKVYPMQHTDMUPU-UHFFFAOYSA-N 523.984 4.859 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccccc1Cl 2903023 VQCAHWBGHVMFMC-JZVSFUAJSA-N 507.826 4.759 0 40 KJAB CSc1cccc(NC(=O)O[C@@H]2CC[C@@]3(C)[C@H](CC(=O)N4CCCC4)[C@H](O)CC[C@H]3[C@]2(C)CO)c1 4236761 RBUKHWYETQSWGC-STCUNNHWSA-N 504.693 4.524 0 40 KJAB biogenic,in-vitro CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@@H]1CCCN1 4946268 AWSZAKCFFVUULY-SOULJVCNSA-N 577.766 4.934 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 6545204 YLFSLSBQZKIBFG-RISWYLRJSA-N 609.498 4.838 0 40 KJAB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccccc2)cc1 6924843 OTFOYBICAXXVJL-HHHXNRCGSA-N 509.562 4.633 0 40 KJAB C[C@H](NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)C12CC3CC(CC(C3)C1)C2 8686340 QSYQAZYHTJMKPZ-MBBDBFLNSA-N 544.743 4.724 0 40 KJAB CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCCO4)c3ccc(Cl)cc3c2=O)cc1 9856117 DYTSJFXAWLQWMX-UHFFFAOYSA-N 502.954 4.858 0 40 KJAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc(-c2ccccc2)cc1 12561232 QRLCXLCTOXHVDY-UHFFFAOYSA-N 505.640 4.617 0 40 KJAB CCCNS(=O)(=O)c1cccc2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)cccc12 19204320 YJHCWBPILZNINF-SANMLTNESA-N 515.635 4.508 0 40 KJAB CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 33937287 BQSHPHHXTYJSJC-VWNXMTODSA-N 506.676 4.916 0 40 KJAB CCc1ccc([C@@H]2CN3C(=O)CN(Cc4cc(OC)c(OC)c(OC)c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 70700130 WNGVOVVMNRIJOX-RBBQXQBVSA-N 553.659 4.988 0 40 KJAB biogenic COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)sc2c1CC(C)(C)NC2(C)C 97963581 GVOSPPVRVMWGLU-UHFFFAOYSA-N 547.743 4.900 0 40 KJAB COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)ccc2OC)c1 100365115 NZHZGYITSZURQD-NDEPHWFRSA-N 548.043 4.935 0 40 KJAB COc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)c1 102138042 HJBMGJKFISZEGL-HUVFLSCGSA-N 512.562 4.564 0 40 KJAB O=C(NC[C@H]1CCCO1)c1ccc2c(=O)n(Cc3ccccc3)c(SCC(=O)c3c[nH]c4ccccc34)nc2c1 102177234 LXKHPDABQURCRX-JOCHJYFZSA-N 552.656 4.810 0 40 KJAB COc1cccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2ccc(F)cc2)S3(=O)=O)c1 102451245 ODEWHOHLMVQEFI-UHFFFAOYSA-N 536.610 4.731 0 40 KJAB CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(OC)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC 102762876 YDNHMQNYNWAOBK-KWXIBIRDSA-N 502.567 4.934 0 40 KJAB O=C(C[C@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)Nc1ccccc1 102974716 PHYRQGHGBKTCSE-IBGZPJMESA-N 523.920 4.904 0 40 KJAB C[C@H](OC(=O)c1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1 102975543 HWXQQLWEZFYIKA-AWEZNQCLSA-N 605.012 4.747 0 40 KJAB COc1ccc(OCc2nnc(SCC(=O)NC(=O)NC(C)(C)C)n2-c2cccc(C(F)(F)F)c2)cc1 103132351 RAEGGJUNVHFIFU-UHFFFAOYSA-N 537.564 4.590 0 40 KJAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 103133203 PXMCWUMWWUXAEN-XMMPIXPASA-N 538.629 4.931 0 40 KJAB CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C2=C(N=3)c3ccccc3CC2)ccc1OC(C)=O 104658693 YRCZULUDSISSBC-OIUASMPBSA-N 582.678 4.660 0 40 KJAB COc1ccccc1CNC(=O)[C@H](CCSC)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 108449494 YUJMRXKTFPXVOE-BDYUSTAISA-N 635.783 4.722 0 40 KJAB biogenic COc1ccc(NS(=O)(=O)c2cc(NC(=S)N[C@H]3C[C@H]4CC[C@H]3C4)ccc2N2CCCC2)cc1 110514828 YWUINEOAZLVAQG-SPEDKVCISA-N 500.690 4.571 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)S(=O)(=O)c2ccc(C)cc2)c1 197826412 VBGHKZLBROVYJR-UHFFFAOYSA-N 639.752 4.964 0 40 KJAB 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COc1ccc(C(=O)N2c3ccc(Br)cc3C[C@H]2C)cc1S(=O)(=O)NCCc1ccccc1 222928460 UWPQZJHXXXKJSK-QGZVFWFLSA-N 529.456 4.570 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 223001884 IJLGIXIGSNISIS-NDEPHWFRSA-N 586.154 4.527 0 40 KJAB Cc1ccc([C@@H](NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c2ccccc2)c(C)c1 223017320 CWLNCUDJIWJGHP-NDEPHWFRSA-N 508.640 4.527 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223018380 SLRSGNQAOSVDGZ-MRXNPFEDSA-N 593.371 4.856 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223263246 YYEXRAILRQVQEB-NRFANRHFSA-N 603.688 4.511 0 40 KJAB COc1ccc(-c2nnc(NC(=O)CN(c3cccc(C)c3C)S(=O)(=O)c3ccc(C)cc3)s2)cc1 223388525 DRCWDQFISNFYFW-UHFFFAOYSA-N 522.652 4.973 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccccc1OCC)S(C)(=O)=O 223741821 LQUMLRPVCVBPTJ-RUZDIDTESA-N 545.746 4.664 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 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COc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)ccc1OC(=O)/C=C1\SC(=O)NC1=O 100872028 HITLFAQLNNCSBR-LIXSFPCJSA-N 527.558 4.710 0 40 KJAB CCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1 101250658 LMTASRWXQJSKHM-SKVJQKLOSA-N 532.593 4.942 0 40 KJAB COc1ccc([C@@H]2CC(c3cccc4ccccc34)=NN2C(=O)CN2N=N[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]32)cc1 102819941 WNQDERKSDBUULO-NAYUSWPISA-N 588.624 4.528 0 40 KJAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 103049228 CCLWMASSAYZRNV-UHFFFAOYSA-N 583.732 4.572 0 40 KJAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)NCCCCCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 103520504 AFULRSYXYZZCLS-SFRLIIPVSA-N 574.718 4.901 0 40 KJAB biogenic CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)[nH]c4ccccc34)c(=O)n2[C@H]1c1ccc(F)cc1 103783837 XENCLEGOGXRQGA-FBRKSOCZSA-N 537.616 4.864 0 40 KJAB COc1cc(NC(=S)NC(=O)c2cc(I)ccc2Cl)ccc1N1C(=O)c2ccccc2C1=O 105025168 NBGIQZGMCWILJU-UHFFFAOYSA-N 591.814 4.881 0 40 KJAB 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CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 223276529 DCJIUNGVWRLHKZ-AJTFRIOCSA-N 600.579 4.770 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 223299047 GIWOJBBUEYBLKT-LJQANCHMSA-N 542.529 4.710 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 223426769 KIPMXSNAAZMPSF-LJAQVGFWSA-N 565.736 4.876 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 223511712 BOWALKXWMNBPOJ-LJQANCHMSA-N 548.492 4.742 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 223561522 YPPCDJWUFJWZGZ-HHHXNRCGSA-N 600.579 4.608 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223869781 ARXIOLHMGGGAED-HXUWFJFHSA-N 606.116 4.635 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223901616 KSESYEIUBGMEQA-SFHVURJKSA-N 624.518 4.652 0 40 KJAB O=C(O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 223945788 BKJLMHUIAXLMPM-KAYWLYCHSA-N 525.634 4.584 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224002375 FUWAGQGSUPRJIH-HKBQPEDESA-N 645.753 4.959 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 224259862 FEIPDILCAMGWAG-DEOSSOPVSA-N 554.540 4.934 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 224327124 CKRIIGPKONHUCF-INIZCTEOSA-N 548.920 4.602 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 224469984 DIKXJHLHNQANIF-QHCPKHFHSA-N 599.725 4.618 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 224579036 DDRPWOQOZQNCNA-VWLOTQADSA-N 566.164 4.783 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)c2ccc(C)cc2C)cc1 224650904 ZXHDNZNQSJWVKR-DEOSSOPVSA-N 553.700 4.888 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 225110112 WGLVOHRFAVELFY-VWLOTQADSA-N 578.573 4.780 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 225203306 SVIJKTPAPUUELU-IFMALSPDSA-N 536.138 4.835 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225305206 IVVWTPFWYGFFPQ-QHCPKHFHSA-N 600.565 4.644 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccccc2)cc1 225362210 TVSALBYNOHVVHD-ZEQRLZLVSA-N 565.736 4.785 0 40 KJAB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)O)cc3)o2)ccc1NS(C)(=O)=O 225438412 OASFABLBZIWIKT-JWQCQUIFSA-N 564.645 4.597 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225662620 FIAWNXKQEHLRBJ-NTKDMRAZSA-N 540.101 4.747 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1 225675888 NMUULLRHKZELID-RRPNLBNLSA-N 586.626 4.748 0 40 KJAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl 225797351 URUXFKVYSRGXKI-UHFFFAOYSA-N 503.001 4.742 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)Nc1ccc2sncc2c1)Cc1ccccc1 226066684 CWSHFYQEJNPWPQ-UHFFFAOYSA-N 502.017 4.788 0 40 KJAB CCc1ccc2nc(O)c(CN(Cc3ccccc3OC)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 253500539 VMWIOGCCSWVAOT-RSXGOPAZSA-N 516.646 4.830 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(OC)cc1)[C@H](CC)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 260707681 RJUGLQZEHIRHAJ-MUUNZHRXSA-N 595.762 4.930 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 260752309 CWHZOMCTCZWWNI-JOCHJYFZSA-N 599.725 4.760 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 260904775 FECJLEPJNMQHJW-FIPFOOKPSA-N 551.709 4.613 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 260904806 FEGSAPPLCQVEJY-CVEARBPZSA-N 548.920 4.745 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 260975625 NFDMGEYUGGYSIR-ROUUACIJSA-N 562.054 4.765 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 260993096 CXURVNAGBHFILM-FIPFOOKPSA-N 570.155 4.969 0 40 KJAB COc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](c5ccccc5)CC[C@H]4C3=O)cc2)c1 408677954 BDCSOTUPVRPQAV-BYXVTNLJSA-N 512.562 4.564 0 40 KJAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 408679660 JNWKRALEGHSTJN-UHFFFAOYSA-N 501.501 4.585 0 40 KJAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 408694465 IBBURTZDZFHDSS-UHFFFAOYSA-N 580.103 4.769 0 40 KJAB Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 408694863 NLDMFQBXXNDGTQ-UHFFFAOYSA-N 569.627 5.000 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C(C)(C)C)cc3)S(C)(=O)=O)cc2)c1 408711428 WKKZMLKLAOSRIY-UHFFFAOYSA-N 543.711 4.806 0 40 KJAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=N[C@H]1c1ccc(OCc2ccccc2)c(OCC)c1 408731714 PICJULIYRAJTGQ-JLKMOJGBSA-N 584.694 4.894 0 40 KJAB 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508.666 4.692 0 40 KJAB biogenic,in-vitro Cc1cccc(C(=O)O[C@H](COc2cccc3ccccc23)CN(C)C2=NS(=O)(=O)c3ccccc32)c1 59483526 SGVQJUOVFGENNG-QHCPKHFHSA-N 514.603 4.834 0 40 KJAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 59881882 XANMZUGSRWKANJ-UHFFFAOYSA-N 557.600 4.600 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)c2cccc(Br)c2)cc1 59930079 YKEKLGXLCUYJKE-MHECFPHRSA-N 531.472 4.615 0 40 KJAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NC[C@H]5CCCO5)cc4)C(=O)N32)cc1 70707029 CXTBHEZZXMHYKS-FNHKZSGOSA-N 550.615 4.568 0 40 KJAB biogenic COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2ccc(Cl)cc2)cc1 97952041 BFLPGVCLNQTRIH-JOCHJYFZSA-N 525.989 4.797 0 40 KJAB CCc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCN(c4ccc(F)cc4)CC2)c2cc(Cl)ccc23)cc1 97999329 NOANUDVQULTKSF-UHFFFAOYSA-N 551.047 4.792 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1OC)N(C(=O)CCC(=O)Nc1cc(C)on1)c1ccc(NC(C)=O)cc1 100415990 IKWPGRXQYNREFU-NDEPHWFRSA-N 593.681 4.757 0 40 KJAB Nc1c(C(=O)NC2CCCCC2)nsc1C(=O)N(Cc1ccccc1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 100622952 AHRNEHHXCAECKS-SHQCIBLASA-N 593.725 4.606 0 40 KJAB CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)n2[C@@H](C)COC)cc1 103141222 HHNUNCBWCPCJHA-VQTJNVASSA-N 559.758 4.865 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NCCc3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 108449671 BKXVTYAICQEDKN-XCZPVHLTSA-N 619.784 4.756 0 40 KJAB biogenic COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccccc3Cl)c(=O)n2[C@@H]1c1ccccc1 109675990 LYDFBQGRKPOORV-GTWFGUSFSA-N 531.033 4.641 0 40 KJAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cccc(C(=O)O)c5)o4)c(=O)n32)c1 111468440 RUIOKRGBUUGZEP-LAUBZIAYSA-N 591.645 4.841 0 40 KJAB CC(C)(C)OC(=O)CCOCC(COCCC(=O)OC(C)(C)C)(COCCC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1 140253003 MJBXXROMAURCNR-UHFFFAOYSA-N 639.783 4.897 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 222569474 GAOWFBFPRJAHPQ-VAVYLYDRSA-N 549.737 4.955 0 40 KJAB 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225227794 HKUJHQJWKHBZHN-NRFANRHFSA-N 596.588 4.728 0 40 KJAB CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 225557080 CNJSCEFFYLLORP-WUFINQPMSA-N 510.667 4.890 0 40 KJAB COC(=O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c1 225658189 MLAREZPNLPIVPK-VSGBNLITSA-N 539.661 4.969 0 40 KJAB Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1c(C)[nH]c(C)c1I 225680575 IUFPRQJKYPHMPH-XZOQPEGZSA-N 559.477 4.941 0 40 KJAB CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O 254133730 ZFUKERYTFURFGA-BEDOCLDBSA-N 859.063 4.987 0 40 KJAB biogenic,in-vitro Cc1ccc(CN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1 260745440 BXDGVIYLZVRIDY-GOSISDBHSA-N 540.513 4.544 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC)S(=O)(=O)c1ccc(SC)cc1 260759259 ODHDZENSVLZUOZ-HXUWFJFHSA-N 634.618 4.928 0 40 KJAB 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YOMMSXLWFKMXPL-UHFFFAOYSA-N 512.198 4.729 0 40 KJAB CCCOC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@H](c6ccccc6)[C@@H](C5)[C@H]4C3=O)c2)cc1 408681103 FBYMTCBIRRJPPC-IZHSVKBASA-N 580.637 4.978 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 408694429 GVFUSCBVDODAAF-HNNXBMFYSA-N 574.533 4.895 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 408703930 WGDLIKGUVFIACW-UHFFFAOYSA-N 564.085 4.576 0 40 KJAB CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1C(=O)N1CCCCC1 408714587 HNRWRWOSWIJIOV-UHFFFAOYSA-N 545.708 4.636 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc(F)c4)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 408826918 LHCOKXRKLQCOGU-XQNWCSQWSA-N 542.632 4.825 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408827130 KHXUAQFZPFSKSJ-DLBLZJNESA-N 585.520 4.667 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)ccc4O)c(=O)n32)cc1 408848884 WSXRCVAIVPQSEH-GTWFGUSFSA-N 590.499 4.741 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)c2ccccc2)cc1 408924261 FJFVUODCTMJGHA-UHFFFAOYSA-N 595.699 4.729 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCc5ccc6c(c5)OCO6)c(OC)c4)c(=O)n32)cc1OCC 408950780 UFXBGJQTEAWHFM-HMSHAAMUSA-N 770.598 4.736 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409005641 FYRQKPCIPJBQAW-UFKHLRDRSA-N 655.773 4.922 0 40 KJAB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OC)c(Cl)c4)c(=O)n32)c1 409021594 PDWJPXNBHSUTOA-GVMLUORFSA-N 546.048 4.545 0 40 KJAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(OCC)c(OCC(=O)Nc3ccc(C)cc3)cc2Br)C1=O 409046280 JTOULKFMJYHFGI-SRZZPIQSSA-N 577.453 4.773 0 40 KJAB CCOc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409268678 XKQJNNBCBGYUID-IRXDYDNUSA-N 521.477 4.958 0 40 KJAB CC[C@H](C)Oc1c(Br)cc(Cl)cc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O 409399148 IAKOUSQVRKYWPB-FSKGUYTJSA-N 511.756 4.752 0 40 KJAB 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641.787 4.638 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 260875080 BLTUIMNHOKRZCK-DFHRPNOPSA-N 569.699 4.752 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c1ccccc1 260940470 IOTAWZNOMDIALT-BJKOFHAPSA-N 565.736 4.785 0 40 KJAB CN(CCCC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 260957154 GMGSZHOYCVXEAN-SSEXGKCCSA-N 579.738 4.925 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 260982022 OGDWEXHKJOHZLF-ZEQRLZLVSA-N 553.700 4.704 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1NC(=O)c1cccc(Cl)c1 408560748 PUBASKGHEPAIHA-UHFFFAOYSA-N 518.010 4.641 0 40 KJAB COCCCNC(=O)c1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 408631009 ZBVYNXNPHYFCTF-LJAQVGFWSA-N 517.651 4.522 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1Cl 408822367 LWPNWRAMEPQLOD-VZIOXZNFSA-N 619.921 4.538 0 40 KJAB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)ccc1OC(C)C 408924168 QOTUGTHCCJWWNQ-LMSRTUJASA-N 552.718 4.705 0 40 KJAB COc1ccc(-c2nnc(SCC(=O)N3CCN(c4nc5ccccc5s4)CC3)n2-c2ccccc2)cc1 408987631 QRZRKVGJINOSSG-UHFFFAOYSA-N 542.690 4.994 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O[C@H](C)CC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409031561 HDTFUPVFTRUXBQ-IRHMZFDZSA-N 594.730 4.780 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OC)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409032504 JEBIZQQSGLIECH-QARYAGPDSA-N 601.121 4.655 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Sc4ncccn4)o3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC 409108448 UDGUGMMMQPPEFP-JAORQVBISA-N 692.411 4.866 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(=O)Nc4ccccc4F)c(Cl)c3Br)C2=O)o1 409398246 CFVSHMNFKKYDPF-MFOYZWKCSA-N 636.814 4.740 0 40 KJAB CC(C)CC(=O)N1CCCN(C)CCN(C(=O)CCc2nc3cccc(Cl)c3n2C)Cc2ccccc21 643555325 ZONBKFNIJLUDMW-UHFFFAOYSA-N 524.109 4.903 0 40 KJAB O=C1CN(Cc2cnc(N3CCCCC3)nc2)CCOCCOc2ccccc2Oc2ccc(Cl)cc2N1 643569691 QPOUOPXCNPHGAS-UHFFFAOYSA-N 538.048 4.762 0 40 KJAB COc1ccc(OC)c([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)C2CCCC2)c1 887473 ZUECGXYWQMNBAD-MUUNZHRXSA-N 581.117 4.972 0 40 KJAB COc1cc(C(=O)Nc2nc(C)c(C(=O)Nc3ccc(Br)cc3)s2)cc(OC)c1OC 1378947 LDGKXAGLRIFNAC-UHFFFAOYSA-N 506.378 4.744 0 40 KJAB Cc1ccc2cc(CN(Cc3ccc(F)cc3)S(=O)(=O)c3cccc4nsnc34)c(=O)[nH]c2c1C 6410226 QTLIOPLBFYXWMS-UHFFFAOYSA-N 508.600 4.680 0 40 KJAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CCCCC3)cc1 9599765 JICIFDLDIBDWBB-UHFFFAOYSA-N 525.696 4.840 0 40 KJAB CCOC(=O)C1CCN(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2C(C)C)CC1 12311789 GJAFVFQRGJUJEF-UHFFFAOYSA-N 522.671 4.960 0 40 KJAB CC[C@H](c1nnnn1C1CCCCC1)N(Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 13495215 CHNCXHUOLQMLSB-RUZDIDTESA-N 530.629 4.911 0 40 KJAB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)Nc1nc(-c2cccc(Cl)c2)cs1 13572598 PBSUVWUPAULGHC-ZBFHGGJFSA-N 517.101 4.701 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)cc1 14154530 HJQJYAFXMUKHBP-UHFFFAOYSA-N 521.620 4.849 0 40 KJAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)c1 14411528 ZQHNVDBVUAEHIC-UHFFFAOYSA-N 501.004 4.886 0 40 KJAB COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3)ccc2s1 20019868 AJDOKUYBKLIWBO-UHFFFAOYSA-N 510.593 4.815 0 40 KJAB O=C(c1nn2c(c1Br)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCN(Cc2ccccc2)CC1 35955855 DUIMXRXLLRFQOZ-FUHWJXTLSA-N 538.368 4.857 0 40 KJAB COc1ccc(CN(Cc2ccco2)[C@@H](c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2C(C)(C)C)cc1 57608273 PCOZVPHDXKJTEQ-SANMLTNESA-N 512.614 4.971 0 40 KJAB COc1ccc(NC(=O)c2cc(OC)c(OC)cc2N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 59930752 VEJPXEAHBRBPRW-UHFFFAOYSA-N 535.018 4.593 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 60018459 QXYUQDGILJZDHH-UHFFFAOYSA-N 543.026 4.589 0 40 KJAB CC(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12 70705919 MNDWQPBQPMQPHO-XEVVZDEMSA-N 534.660 4.528 0 40 KJAB biogenic CC(=O)n1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@]3(C(=O)OCc4ccccc4)CCCN23)c2ccccc21 100195554 NFUKRLRCVZFCOA-UHLQNUQBSA-N 547.611 4.740 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(F)cc1 100221164 YNSFYKOVUJWGGJ-JGTYQCAFSA-N 566.994 4.549 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 100375324 MWPAIHAWGQIBMD-HHHXNRCGSA-N 552.635 4.844 0 40 KJAB COc1ccc(OC)c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@]3(Cl)C(Cl)=C(Cl)[C@]2(Cl)C3(Cl)Cl)c1 100507882 AOUJGQLGEAZILY-DVFHQRNOSA-N 524.011 4.805 0 40 KJAB CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc3c(c1)OCO3)C(c1ccc(Br)cc1)=N2 102244111 AOUQCIZKBWAJPJ-UHFFFAOYSA-N 529.460 4.563 0 40 KJAB O=C(Nc1ccc(Br)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 102368538 AVHCJOBCCSNGBC-FQEVSTJZSA-N 538.261 4.740 0 40 KJAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 102927739 CGLFNYRPRZPUDX-QFIPXVFZSA-N 576.096 4.633 0 40 KJAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)ccc1C 102994154 NMORHYHFUMFCHX-UHFFFAOYSA-N 566.101 4.741 0 40 KJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)[C@@H](OC(C)=O)C[C@H]1[C@@H]2C[C@H]2[C@@H]3CN4C[C@H](C)CC[C@H]4[C@H](C)[C@H]3CC[C@@]12O 103542844 HXCNNBUQYOTILV-SZFCUFBUSA-N 515.735 4.820 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@@H]1c1ccc(F)cc1 103904287 LOGBZTSAJVVBNK-CMYVBNMBSA-N 569.477 4.899 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1 105654883 VOMDQSPVQFXPQQ-UHFFFAOYSA-N 573.781 4.590 0 40 KJAB COc1ccc(NC(=O)CCCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc1 108450844 HAKXJAKBFGZIKB-VWLOTQADSA-N 575.662 4.702 0 40 KJAB biogenic CCOc1ccc(N(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(SC)cc2)cc1 113933403 SEUALVMKUOADIM-UHFFFAOYSA-N 505.061 4.972 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 222560890 NNNFIHGBLIHDNO-MHZLTWQESA-N 572.127 4.876 0 40 KJAB 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CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 223688230 XGWQWZJWHWACOO-LJQANCHMSA-N 592.943 4.851 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O 223871398 DBCNACCFODLFBH-QFIPXVFZSA-N 572.555 4.882 0 40 KJAB COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 223945095 LEQBZPOFMWWVJM-IZLXSDGUSA-N 511.651 4.895 0 40 KJAB Cc1cccc(OCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)c1C 223974664 NVKWBATZAFKSNX-UHFFFAOYSA-N 503.045 4.739 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1 224193040 FHVVGWSJNGWAQY-DEOSSOPVSA-N 583.726 4.918 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 224326854 LXHSAZDXQRJMFH-INIZCTEOSA-N 548.920 4.602 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 224467972 IQNZEKODQVLDJT-VWLOTQADSA-N 565.736 4.697 0 40 KJAB 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CCOC(=O)COc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)N(CC)CC)=C(C)N=2 409102755 ZXHBDVYEPMBDBG-AHNSQEAUSA-N 618.155 4.852 0 40 KJAB O=C(O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)C1=O 409131407 IJRZTSBBPKCMTH-VIZOYTHASA-N 500.729 4.942 0 40 KJAB CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1OC 409167165 HLBKWOFRMUHPNH-WOJGMQOQSA-N 521.389 4.540 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(I)c1OC(C)C 409239213 GYRQFBMHLAMBSN-YBFXNURJSA-N 520.367 4.878 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)c(Br)cc1O 409269756 DJAUMMMPQDJSEJ-OCKHKDLRSA-N 505.390 4.845 0 40 KJAB COC(=O)c1cc(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)ccc1Cl 409269920 BDEKTOLAQSKDCE-UHFFFAOYSA-N 584.819 4.565 0 40 KJAB COC(=O)C[C@@H](c1ccc(OCc2ccccn2)cc1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O 524731821 LTXCXLSTAPANOY-NRUKRWIHSA-N 570.598 4.998 0 40 KJAB biogenic CCCCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)COc3cc(C)nc4ccccc34)CCO2)C1=O 643557417 SQPDZQGUZJTPQK-XIFFEERXSA-N 559.707 4.954 0 40 KJAB Cc1noc(C)c1C(=O)N1CCCCOc2ccc(Cl)cc2C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)CCCC1 643558798 GASZBDIOVYKYQY-VWLOTQADSA-N 547.096 4.595 0 40 KJAB Cc1ccc(N2CCC(O)(CN3CCC4(CCCCc5ccccc5OCCN(C)C4=O)CC3)CC2)cc1 643568838 JGJHUCPTRVXJAF-UHFFFAOYSA-N 519.730 4.672 0 40 KJAB CO[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)OC(C)(C)C)c4ccccc4)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2OC 669678867 BMQGVNUXMIRLCK-NAGNJXHESA-N 835.944 4.568 0 40 KJAB O=c1c2ccccc2nc(NCCNc2nc3ccccc3c(=O)n2-c2ccccc2)n1-c1ccccc1 1505840592 DTPLMXFZVWMJLG-UHFFFAOYSA-N 500.562 4.609 0 40 KJAB COC(=O)c1ccccc1NC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 895799 RBDGZFWGJFXPGR-UHFFFAOYSA-N 547.633 4.740 0 40 KJAB CC(C)[C@@H]1Cc2c(sc3c2c(=O)n(CCc2ccccc2)c2nnc(SCC(=O)NCc4ccccc4)n32)CO1 1278985 YFCYCBBGXLYTKM-QHCPKHFHSA-N 573.744 4.854 0 40 KJAB CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 1775978 OICNDWHYEQHTJF-NPMXOYFQSA-N 504.004 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CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 225356973 QVEZDPBOWBEKFF-LOSJGSFVSA-N 595.762 4.848 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 225498003 JAEPBCCGJVVTSN-HHHXNRCGSA-N 574.118 4.802 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 225586348 SKYHBOGKXLOJQV-SSEXGKCCSA-N 573.690 4.716 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2nccs2)c1C 225661534 ZCNWWMJLBAZLFP-JWQCQUIFSA-N 532.695 4.956 0 40 KJAB CC1CCN(c2cc(N3CCCCC3)nc(NC(=S)NCC3(c4ccc(F)cc4)CCOCC3)n2)CC1 226000471 YDPAADVWQCQUNN-UHFFFAOYSA-N 526.726 4.877 0 40 KJAB O=C(C[C@]1(COc2ccc(F)cc2)CCCN(C(=O)COc2ccc(Cl)cc2)C1)N1CCCCC1 257233766 GQQHSWQLSOONIF-HHHXNRCGSA-N 503.014 4.948 0 40 KJAB COc1cc(CC(=O)N(CCc2ccccc2F)CC(=O)O)cc2c1O[C@@H](c1ccc(F)cc1)[C@H](C)C2 257253166 JXUUEKWOOIMEMR-KWMCUTETSA-N 509.549 4.984 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)c1 260777313 ZCCNADWULCUPMC-JOCHJYFZSA-N 572.127 4.794 0 40 KJAB COc1ccc(CN(C(=O)CCCN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)cc1 260802599 PNOJZKYLAXHALT-OAQYLSRUSA-N 594.174 4.770 0 40 KJAB CN(C)S(=O)(=O)N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccccc1F 260964293 HORSBCYJPUZRFZ-GDLZYMKVSA-N 615.171 4.791 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 260995794 QVQLYWZAYLIBLM-CVEARBPZSA-N 578.946 4.753 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408596392 YWBUQJJINHXYLS-FRKPEAEDSA-N 544.185 4.711 0 40 KJAB COc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(Cl)cc3Cl)cc3cccc(OC)c32)cc1 408612367 YGTLTKMIEFHNRZ-UHFFFAOYSA-N 527.364 4.926 0 40 KJAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1OC 408615852 TUSNVDNUTNXQNQ-UHFFFAOYSA-N 573.671 4.754 0 40 KJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)ccc2C)cc1C 408617277 FUQCXAGTBLZVQT-JXMROGBWSA-N 503.668 4.884 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N[C@H](C)CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 408630171 ORFOKIXOPNOQMY-HXUWFJFHSA-N 501.048 4.990 0 40 KJAB CCCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C(=O)OCCC)cc2)cc1 408670375 ZTQOTDXOFFMLCE-UHFFFAOYSA-N 526.586 4.501 0 40 KJAB COc1ccc(CCNC(=O)c2cc3cc(N(C)S(=O)(=O)c4ccc(OC)c(OC)c4)ccc3s2)cc1OC 408713558 FERSRRUCAFKQNU-UHFFFAOYSA-N 570.689 4.733 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408753846 QXGALIOMYSNTEA-GTWFGUSFSA-N 531.033 4.641 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C(=O)OCC)cc4)cc3)c(=O)n2[C@@H]1c1cccs1 408765991 CJOBMFCOKAGDRN-DBXPASCUSA-N 588.707 4.616 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC(=O)OC)c(I)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408822008 AWHFDYCTHFTUIB-RTOMEVGKSA-N 755.425 4.504 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cc(C(=O)O)ccc5C)o4)c(=O)n32)cc1 409042856 DBCKJOWZCIFDDF-UQDCTOEPSA-N 586.666 4.852 0 40 KJAB CCn1c(CNC(=O)COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1cccc(F)c1C 409158769 LQJJEOPMXBTQAY-UHFFFAOYSA-N 513.639 4.603 0 40 KJAB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(O)c(OC)c3)C2=O)ccc1Cl 409174106 RXTOXUZOQXWBKC-CAOOACKPSA-N 569.817 4.668 0 40 KJAB COc1ccc(C(=O)[C@H](OC(=O)[C@H](CCS(C)(=O)=O)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c2ccccc2)cc1 409177170 CQYXKBRJSNEYQK-UKILVPOCSA-N 604.464 4.569 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)cc(I)c1O 409269759 DJQVXGLOZQMLIO-CAOOACKPSA-N 588.807 4.733 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCC(C)CC4)o3)c(=O)n2[C@@H]1c1cccs1 409270898 BIIXJPBVMXNLMQ-AMLZPZLTSA-N 559.713 4.826 0 40 KJAB C[C@@H](Sc1nnnn1C)C(=O)Nc1ccc2nc(SCC(=O)NC(c3ccccc3)c3ccccc3)sc2c1 409332381 DUYSJFUHPNTXFC-QGZVFWFLSA-N 575.745 4.937 0 40 KJAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3sc4c(c3C(=O)NCc3ccccc3)CCCC4)n2C)c1 409365512 ZZYUUOLBSMYGCI-UHFFFAOYSA-N 588.759 4.655 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(Cc4ccccc4Cl)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 409388083 KCXDALZVLUXMCF-WGGXKBPPSA-N 644.149 4.776 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)Nc1ccc(I)cc1 409390817 WRQNOYUFULGJQK-UHFFFAOYSA-N 542.782 4.763 0 40 KJAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(OCc4ccccc4)cc3)C2)cc1Cl 409393037 VBNNMBLIOGIVBD-FQEVSTJZSA-N 515.031 4.967 0 40 KJAB COc1cc(CN(CCCO)C[C@@H](O)Cn2c(C)c(C)c3ccccc32)ccc1OCCN1CCC(C)CC1 585272736 MOALFUUKKNRAKQ-MUUNZHRXSA-N 537.745 4.623 0 40 KJAB CCn1c(CCCC(=O)N2CCCN(C(=O)CC(C)C)c3ccccc3CNCC2)nc2ccccc21 643557774 YHZXOERCWSDTMG-UHFFFAOYSA-N 503.691 4.780 0 40 KJAB COc1cc([C@@H](CC(=O)NCCN(C)C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC 1547139209 OCTMXPODRQMMLF-SQJMNOBHSA-N 626.747 4.805 0 40 KJAB biogenic Cc1c(NC(=O)c2nn3c(C(F)(F)F)cc(-c4ccco4)nc3c2Cl)c(=O)n(-c2ccccc2)n1C 848538 ZVAOZIGKSRTWRA-UHFFFAOYSA-N 516.867 4.712 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@H](C(=O)NCc3ccc(F)cc3)c3ccncc3)n2)cc1 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COC(=O)[C@@H](C)N1C(=S)N(c2ccc(Cl)cc2)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C 8951172 UYQMQANBWUDVBO-BFUOFWGJSA-N 511.431 4.990 0 40 KJAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 9375461 RIDOLRBYLJMQMV-UHFFFAOYSA-N 508.928 4.778 0 40 KJAB CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccccc3C(C)=O)c2)cc1 12569368 GFSCEDVQQOMDPO-UHFFFAOYSA-N 508.596 4.828 0 40 KJAB O=C(COc1ccccc1O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCCCC1 12600418 RZVLBGAQVUWJFR-UHFFFAOYSA-N 516.019 4.854 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1ccc(O)cc1)N(Cc1ccccc1)C(=O)c1ccc2c(c1)OCCO2 12635387 GBFHAEILVHKSOK-NDEPHWFRSA-N 500.595 4.996 0 40 KJAB CC(=O)c1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCCC(C)C)c1ccc(F)cc1 12713000 CFOUTNUQWYNPRU-MUUNZHRXSA-N 515.589 4.710 0 40 KJAB COc1cccc([C@@H](C(=O)NC(C)(C)C)N(CCC2=CCCCC2)C(=O)Cn2nnc3ccccc32)c1OC 13029266 FOJUDPYKPFHSLV-MHZLTWQESA-N 533.673 4.824 0 40 KJAB COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)c1 13811493 LQOZLPOWRIIDBC-VJBWXMMDSA-N 509.356 4.517 0 40 KJAB Cc1ccc(C)c(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)c3ccccc23)c1 35442311 DYFDTDDCKBIAOX-UHFFFAOYSA-N 501.656 4.902 0 40 KJAB COc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4cc5ccccc5o4)cc3)CC2)cc1 57316445 JIGVJZWYVAHILM-UHFFFAOYSA-N 514.607 4.531 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 59853616 ZMSJGRKTUDZNQL-UHFFFAOYSA-N 528.030 4.700 0 40 KJAB CCC(=O)Nc1c(-c2nc(-c3ccc(C)cc3)no2)c(SC)nn1CC(=O)Nc1ccc(OC)cc1 62728206 PAQOTVAHSFHYIC-UHFFFAOYSA-N 506.588 4.626 0 40 KJAB CSCC[C@@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(C)cc3)N2C1=O)C(=O)O 70705350 ORRDPIAVOQQSSR-XDIPAPSNSA-N 582.682 4.895 0 40 KJAB biogenic CCN(CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1 98047177 QURIJCGPQZRQHR-QFIPXVFZSA-N 527.415 4.619 0 40 KJAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 100090777 MGVRXFCHUZMLLD-UHFFFAOYSA-N 535.563 4.773 0 40 KJAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N32)cc1Br 102448563 IJVNYPCZZSFRME-PGXSJUQOSA-N 571.427 4.933 0 40 KJAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 103000635 CEKBNYDYAMYKRW-UHFFFAOYSA-N 543.070 4.889 0 40 KJAB COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)CN2N=N[C@@H]4C(=O)N(c5cccc(F)c5)C(=O)[C@@H]42)[C@@H]3c2ccc(OC)cc2)cc1 103256302 RGNHPDLKVCRLRF-HDZALTCPSA-N 622.657 4.959 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(C)c(Br)c3)c2=O)=N1 103827369 MQXCBWCXTIGFIE-PNZYDNNZSA-N 585.520 4.667 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCc3ccncc3)c(=O)cc1[C@@H](NC(C)=O)CC2 108451587 UUCLAGFJWZBTTP-MHZLTWQESA-N 602.732 4.589 0 40 KJAB biogenic CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 222416524 XSXYLKJPMKWLMI-NDEPHWFRSA-N 535.710 4.831 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 222502718 GQQRFJPOPXZFDQ-SSEXGKCCSA-N 573.690 4.716 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 222508404 HICVQVMESHCBCI-MUAVYFROSA-N 581.735 4.621 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 222550077 NHNUSPIWDUNVHZ-FQEVSTJZSA-N 562.519 4.969 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c1C 222767996 BYWZNKWPNOTUBO-LJAQVGFWSA-N 567.727 4.621 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2OC)cc1 223236248 BWUKCBSESQJERY-XIFFEERXSA-N 643.806 4.891 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 223356929 UZIIXNIXQGWQSN-OAQYLSRUSA-N 548.492 4.989 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3cccc4ccccc34)Oc3ccc(Cl)cc32)cc1 223554148 WBVVRUXCEZLZGC-MHZLTWQESA-N 537.037 4.953 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 223823939 BKJXEUJRBSFGSA-FQEVSTJZSA-N 546.064 4.618 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 223870098 JUCNSVKMZVEPFS-NRFANRHFSA-N 573.662 4.502 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223885695 JJSZSRNIVYBQMY-QHCPKHFHSA-N 581.710 4.647 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223916399 VXYRRZXGPXEBKU-SFHVURJKSA-N 602.979 4.601 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 223917121 NOFLYAGMVWNGHK-MRXNPFEDSA-N 605.382 4.998 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 223975913 WKRPOCDWJCIDQH-NRFANRHFSA-N 602.551 4.515 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 224040282 HATSQRYOSKOILV-NDEPHWFRSA-N 570.155 4.889 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C)c(Cl)c2)c2cccc(C)c2C)cc1 224134462 ZLHDQPWZUBFCLL-UHFFFAOYSA-N 501.048 4.964 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 224221295 LIHOQDOHXCGVMN-INIZCTEOSA-N 582.472 4.968 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1 224413468 WQEGCFHPYLUKCJ-VWLOTQADSA-N 509.444 4.994 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 224509786 ACXXCIGOVSEBPQ-JOCHJYFZSA-N 570.539 4.634 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 224572721 DRDMFZYNZQGAIR-MUUNZHRXSA-N 583.776 4.864 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 224721855 DXMKSCPHUHJFIO-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 224770861 YEENCAXEQYELDJ-DEOSSOPVSA-N 554.128 4.913 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 224880744 SUUBHIZOHKDHCE-NDEPHWFRSA-N 565.736 4.779 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 224919713 BRXFXOHXLUHQBQ-MRXNPFEDSA-N 576.493 4.904 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 225079532 LEVOBUWEYXJMBH-GDLZYMKVSA-N 565.736 4.923 0 40 KJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cc2)cc1NS(C)(=O)=O 225485879 GPFLGPCMNKUHAF-UIOOFZCWSA-N 533.679 4.738 0 40 KJAB COc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3CCc3ccccc3)n2)cc1OC 225530451 NIOBBPSDOGCAIZ-UHFFFAOYSA-N 500.580 4.999 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc(Br)c(C)c1 225540789 YRVJTSCLTYUBTF-VWLOTQADSA-N 509.444 4.831 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 225684448 QIEYITUJSLYHGH-JOCHJYFZSA-N 575.653 4.885 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(I)cc3)no2)cc1 225840287 ORKKRCHMSQEUHW-UHFFFAOYSA-N 519.339 4.869 0 40 KJAB CCC1(CC)C[C@H](NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c2ccccc2O1 225874929 ZLZUMTVHDORNOR-DEOSSOPVSA-N 554.640 4.991 0 40 KJAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N(CC(=O)O)C(=O)[C@@H]23)ccc1COc1ccc(Cl)cc1Cl 245241965 VDVKNAYTGPJFMC-HIQAPWCCSA-N 647.558 4.889 0 40 KJAB O=C(CC1(COc2ccc(Cl)cc2)CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)N1CCOCC1 257340402 ZFXCSNYIVFVXLC-UHFFFAOYSA-N 524.967 4.909 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 260740916 NBTVFELDBWLYIA-JOCHJYFZSA-N 542.101 4.786 0 40 KJAB COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1OC 260819820 XQCCHNPOWNNOMN-XMMPIXPASA-N 595.762 4.582 0 40 KJAB CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(Br)cc2)cc1 260834471 MIDZMORWDJTPDR-GOSISDBHSA-N 575.481 4.692 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 260898633 DNMXWLKNRVLEJK-RPBOFIJWSA-N 565.736 4.839 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 260947711 JKGOSZLVNAIUIJ-RPWUZVMVSA-N 551.709 4.885 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 261044526 ZBKABFGWWSROIG-PKTZIBPZSA-N 539.673 4.661 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 261070332 PQNMAYQYJQODKG-IDISGSTGSA-N 574.118 4.800 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 261106996 XDJVSPVHWSYNGB-MSOLQXFVSA-N 572.953 4.509 0 40 KJAB COc1ccc(Br)cc1CN(C(=O)c1ccccc1)c1ccc(N2CCOCC2)c(C(=O)O)c1 408566844 PMLRXTOWUBLERS-UHFFFAOYSA-N 525.399 4.840 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cc3)C2)cc1Cl 408621714 LYVLFQQYDDHLEB-CQSZACIVSA-N 501.830 4.541 0 40 KJAB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(C)cc1Br 408663761 NKEXWLUYZRHEBM-UHFFFAOYSA-N 519.392 4.532 0 40 KJAB CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)c(C)c3C)CC2=O)cc1 408669534 WKMNTIWYUMKLQM-FQEVSTJZSA-N 559.457 4.948 0 40 KJAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3)CC2)c1 408693934 CGJSNDNYRBPBDO-UHFFFAOYSA-N 576.140 4.938 0 40 KJAB CSc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1C(=O)N1CCC(C)CC1 408715042 YLOCIBRSEOCJBL-UHFFFAOYSA-N 530.453 4.686 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 408861888 BPFDZDJBWZQUPL-FHQMNNMHSA-N 693.572 4.855 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(I)c(OC(C)=O)c(OCC)c3)c2=O)=N1 408872028 JGOXGHKZKYFPFE-MFCBUNOESA-N 720.582 4.524 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2cc(C(=O)OC)ccc2C)S(=O)(=O)c2ccc(SC)cc2)cc1 408920661 MBFYYPSCIOQJPA-UHFFFAOYSA-N 528.652 4.736 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OC)c(=O)n2[C@H]1c1ccccc1OC(C)C 408937505 JOBJCDSZQBNPQT-JUTHHCEFSA-N 744.389 4.803 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(OCC(C)C)cc3)c2=O)=N1 409016023 ASLUIQUTEAIXRH-FUFNRSNVSA-N 564.704 4.631 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccccc3OCC)c2=O)=N1 409043580 NDEQRUHOUXFSLY-XSZPGNIMSA-N 541.069 4.639 0 40 KJAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1ccc(I)cc1 409096986 MWMOODAMRVEUAB-LPYMAVHISA-N 597.409 4.719 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(Br)c(Sc5nc(C)cc(O)n5)o4)c(=O)n32)cc1 409100936 XIXWPKQYHXFWHS-DNQIBQKISA-N 671.595 4.896 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409105069 GBJFMUIVZVTYHO-GSTVVXAASA-N 627.763 4.708 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4C)o3)c(=O)n2[C@H]1c1cc(Br)ccc1OC 409119290 RVJRUILYEDXGEC-MFCBUNOESA-N 651.535 4.924 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)ccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 409192947 GKGVRZZPIBFOJL-CRCYZHLCSA-N 623.083 4.516 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4ccccc4C(=O)OC)o3)c2=O)=N1 409196121 XEUZSTJKDCRXPQ-HDFSHUSISA-N 616.692 4.642 0 40 KJAB COC(=O)COc1c(Br)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br 409243806 UOXNGVNHGDOMNK-OVCLIPMQSA-N 544.583 4.514 0 40 KJAB Cc1[nH]nc(O)c1C(c1c(O)n[nH]c1C)c1cn(Cc2ccc(I)cc2)c2ccccc12 409359958 CPYUAGHXSCFSHB-UHFFFAOYSA-N 539.377 4.949 0 40 KJAB O=C(CSc1n[nH]c(COc2ccccc2F)n1)Nc1cc(Br)ccc1Br 409385088 JBCJWYZYMYZKOC-UHFFFAOYSA-N 516.190 4.779 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cc(C)cc(C)c1 409389194 GQEKOTGGHGVMOD-UHFFFAOYSA-N 542.101 4.818 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3F)CC2)c2ccc(Cl)c(Cl)c2)cc1 409411359 GZGMARHESXOLOJ-UHFFFAOYSA-N 536.456 4.985 0 40 KJAB Cc1cccc(C(=O)N2CCC3(CCCCc4ccccc4OCCN(C(=O)c4cnccn4)C3)CC2)c1 643574121 CRSHIQXBCMMGRA-UHFFFAOYSA-N 512.654 4.955 0 40 KJAB CCOc1cccc2c1OCCCCCNC(=O)CN(Cc1ccc(OC)c(Cc3c(C)noc3C)c1)C2 643574778 QFAUTZYHENPGEY-UHFFFAOYSA-N 521.658 4.971 0 40 KJAB COc1ccc(CCN2C[C@H](O)C(C)(C)COCCC[C@H]3CN(C(=O)NC4CCCCC4)CC[C@H]3CC2=O)cc1 1534613878 ZSSLCVOKXDYLPT-ZEZDXWPOSA-N 557.776 4.634 0 40 KJAB CCOc1cccc2c1O[C@@](C)(CCC(=O)O)[C@@H]1C[C@@H]3CN(C(=O)Cc4ccccc4C)CC[C@H]3O[C@@H]21 2037872762 MENGBSGZBKNJCJ-LRKLCXIGSA-N 507.627 4.947 0 40 KJAB COc1cc2cc(C)c3nnc(SCC(=O)Nc4ccc(S(=O)(=O)N5CCCC[C@H]5C)cc4)n3c2cc1OC 877343 IHMJXZAVGJBTPS-GOSISDBHSA-N 569.709 4.502 0 40 KJAB COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)CCC(=O)Nc1cccc2ncccc12 881717 UCBNBEWKEGKHIX-UHFFFAOYSA-N 504.568 4.923 0 40 KJAB CCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC)cc2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 914573 NKYNRIUELHJZQA-UHFFFAOYSA-N 534.634 4.721 0 40 KJAB COc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2c1 918223 CTSTUODGIQKCDH-UHFFFAOYSA-N 546.523 4.675 0 40 KJAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)Nc1cc(C(F)(F)F)ccc1Cl 1982949 RULUWVBSACSABM-UHFFFAOYSA-N 516.859 4.951 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Oc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)cc1 2092938 RSLNADMILCZUOP-HXUWFJFHSA-N 505.592 4.581 0 40 KJAB biogenic COc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(Cl)cc4)cs3)cc2)nc(OC)n1 3080207 XILMABRDYBFVGH-UHFFFAOYSA-N 503.993 4.815 0 40 KJAB COc1ccc2c(Cl)c(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)sc2c1Cl 3262032 ITTHIUBUORKBRW-UHFFFAOYSA-N 543.450 4.797 0 40 KJAB O=c1[nH]c(CSc2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCO2)nc2sc3c(c12)CCC3 3317687 UQEDPJPDAKXMEH-OAHLLOKOSA-N 500.049 4.857 0 40 KJAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 5460548 ZWXLGJYZKCYBHS-NSOVKSMOSA-N 576.646 4.983 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)cc1OC 6074918 MTSPIVBAQGRTJM-MHZLTWQESA-N 595.075 4.835 0 40 KJAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N(CCc3ccccc3)Cc3cccs3)cc2c1 6408742 ZQGUXUJMXRFJBL-CUBQBAPOSA-N 540.693 4.898 0 40 KJAB CN(C)c1ccc(NC(=O)[C@H]([C@@H]2CC=CCC2)N(Cc2ccccc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 8695752 KAUYMMQZMUEFHY-HLADLETHSA-N 550.659 4.674 0 40 KJAB Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NCc2ccco2)c2ccccc2F)c(C)c1 12487731 UNNRGWVIPNBHGH-SANMLTNESA-N 519.598 4.918 0 40 KJAB O=C(NC(=S)n1nc(NC(=O)c2ccc(Cl)cc2)n2c3ccccc3nc12)c1ccc(Cl)cc1 12548297 HLTFLZZCWRPJFF-UHFFFAOYSA-N 509.378 4.806 0 40 KJAB CCOc1ccccc1[C@H](C(=O)NC(C)(C)CC)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 13024393 MPAGMTXCCQPPAT-AREMUKBSSA-N 519.671 4.966 0 40 KJAB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)N[C@H](C)c1cccc(Br)c1 20022333 YKPHBSLRBKRTST-QGZVFWFLSA-N 503.418 4.815 0 40 KJAB CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2cc(C)ccc2C)CC1 20079590 NFUGZSYYYDMNHN-MHZLTWQESA-N 513.690 4.805 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 20492610 OZVNJKAMFXKOGN-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N(CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O 33937370 RKHKSYDNLKOAJM-IAPPQJPRSA-N 514.674 4.897 0 40 KJAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccc(I)cc1 34933250 XTYSQBYJBUSQEO-UHFFFAOYSA-N 502.695 4.998 0 40 KJAB O=C1C[C@H](C(=O)Nc2cccc(Cl)c2Cl)c2c(nc(Nc3cccc(C(F)(F)F)c3)[nH]c2=O)N1 40400274 QDVFEOGVAOFTRK-NSHDSACASA-N 512.275 4.904 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)S(=O)(=O)c2ccccc2)cc1 59884440 AHPIMWLLJOBBOA-UHFFFAOYSA-N 579.700 4.947 0 40 KJAB O=C(CSc1nnc(Nc2ccccc2F)s1)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O 97979487 STYFXMFXQAPEIP-GZTJUZNOSA-N 533.607 4.505 0 40 KJAB O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12)Nc1cc(C(F)(F)F)ccc1Cl 97990184 GIIAERRLJQKNHG-UHFFFAOYSA-N 541.979 4.738 0 40 KJAB C[C@H]1N[C@]2(C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 100182341 BSLNTCMTDKFTLK-JDVQPHTBSA-N 506.389 4.533 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4F)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 100303119 YZCSXJAUOWEJCU-JLHDDXNDSA-N 602.684 4.924 0 40 KJAB COc1ccc([C@H]2C=C3c4cc(OC)c(OC)cc4CCN3C(N)=C2S(=O)(=O)c2cccc(Cl)c2)cc1 101373893 SCSBZEYROPRAQR-HSZRJFAPSA-N 539.053 4.964 0 40 KJAB CCCN(C(=O)CSc1nc(C)nc2sc(-c3ccccc3)cc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 101759285 JUFZLRATOPPOAD-UHFFFAOYSA-N 572.716 4.683 0 40 KJAB COc1cc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 102752790 PXHSXXUPXFGWPL-MPFGFTFXSA-N 534.568 4.961 0 40 KJAB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3cc(I)ccc3Cl)sc2c1 105313080 HRKGOHMLZBQAFW-UHFFFAOYSA-N 530.800 4.640 0 40 KJAB O=C(NCc1ccc(CN2CCCCC2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 139889387 OGQRYMPAPWSZHU-HHHXNRCGSA-N 540.085 4.599 0 40 KJAB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(OC)c(I)c5)c(=O)n42)c2ccccc2CC3)cc1 142839449 FIHOOMQGSOTJRB-ZGOFBEGVSA-N 606.485 4.941 0 40 KJAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCCCCOc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 150476008 VEJQWABSQQTXIB-HNRBIFIRSA-N 638.812 4.636 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)cc(I)c3O)c(=O)n2[C@H]1c1ccc(Cl)cc1 163611561 ICEYVLOZFRWHOD-KCPLEYNQSA-N 669.246 4.958 0 40 KJAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3C)c(OC)c2)C1=O 205691633 OWPQDDQXQHGKMW-SRZZPIQSSA-N 577.453 4.691 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 222664497 XWSPKBWVEWPKCD-NDEPHWFRSA-N 608.558 4.754 0 40 KJAB CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(Br)cc2)cc1 222673922 MIDZMORWDJTPDR-SFHVURJKSA-N 575.481 4.692 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1Br 222835457 GAWLXBHLYSIGAB-FQEVSTJZSA-N 511.844 4.822 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 222922688 UKHDYVYTHRFAIY-KRWDZBQOSA-N 542.529 4.654 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 223071588 NANIVHQCPHPQFZ-AREMUKBSSA-N 586.552 4.815 0 40 KJAB COc1ccccc1CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223081730 SUMQBXZKTGUOOY-MGBGTMOVSA-N 692.234 4.705 0 40 KJAB Cc1c(Cl)cccc1N(CCCC(=O)NCc1nc(-c2ccc(C(C)(C)C)cc2)no1)S(C)(=O)=O 223236854 IRCZYUOFUYGLJG-UHFFFAOYSA-N 519.067 4.859 0 40 KJAB COc1ccccc1OCCNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 223537695 PEGCMCWVSCUPIA-UHFFFAOYSA-N 542.963 4.758 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223696833 YRILJWLEFJXZJB-OAQYLSRUSA-N 542.529 4.524 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 223727741 SRJSJLBSJNJVLO-JOCHJYFZSA-N 542.529 4.792 0 40 KJAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1 223793002 ARJUMSCOZNNVEW-VSGBNLITSA-N 519.715 4.798 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223992765 LWTHDEIZQAIPMF-MUUNZHRXSA-N 551.709 4.614 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 224539601 GIVAOGDFUUGIKW-AREMUKBSSA-N 572.127 4.796 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 224582475 XVGYTJNMJFNSOM-XMMPIXPASA-N 570.539 4.634 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 224597520 FRHTZYLWGXSFJD-AREMUKBSSA-N 564.148 4.761 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224988826 NNMDBGKJGXEASJ-DNQXCXABSA-N 581.735 4.540 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 225176058 XPSNQUULPMUKIY-NDEPHWFRSA-N 551.709 4.887 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 225348621 YPKTZEJPSZPWBX-HHHXNRCGSA-N 557.757 4.806 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 225385767 BLCMWRMLPQDXIN-LJQANCHMSA-N 548.492 4.660 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSCc3ccc(Cl)cc3Cl)CC2)cc1 225476894 UHGQNMBOVBOEDM-UHFFFAOYSA-N 501.501 4.752 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 225530685 OVQOUGBHXDQJIY-LJAQVGFWSA-N 642.616 4.974 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 225606851 ICWLRSZCIVSPRK-GOSISDBHSA-N 556.556 4.999 0 40 KJAB COC(=O)[C@@H]1CN(C(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)c2ccccc2O1 226039294 OJRLDXIMXZKMPK-QHCPKHFHSA-N 628.328 4.914 0 40 KJAB Cc1ccc(C(=O)NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCOC3)cc2)c(OCc2ccc(Br)cc2)c1 257284122 PBHSPNFJUCCRKN-HXUWFJFHSA-N 587.492 4.820 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 260795515 NIOONJYERCYCPT-LJQANCHMSA-N 554.540 4.934 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 260918443 GKONHBMDAWYBDX-ROUUACIJSA-N 586.538 4.600 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)Oc3ccc(Cl)cc32)cc1 260937186 PLZSWRFFOQXNID-HFJWLAOPSA-N 511.043 4.971 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 260952359 KBSKXOAHQWXZLN-URXFXBBRSA-N 536.138 4.917 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C 260978418 NSRMNTOHWZCZNQ-HXUWFJFHSA-N 522.111 4.527 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 261011153 UHSRVLOAURNHBT-UXHICEINSA-N 522.111 4.561 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 261027980 WSBAIEDPIVHPQR-LOSJGSFVSA-N 625.788 4.938 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc2c(c1)OCO2 261039041 YQOXTMJYNZYCNL-GDLZYMKVSA-N 605.757 4.579 0 40 KJAB Cn1c(=O)n(C)c2cc(N3CCN(c4ccccc4)CC3)c(NC(=O)Cc3cccc4ccccc34)cc21 408536622 WWLLVSLTZLNTNF-UHFFFAOYSA-N 505.622 4.538 0 40 KJAB CCc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)C2)cc1 408583056 YKIJKYJBYJEIPG-NRFANRHFSA-N 506.002 4.589 0 40 KJAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@H]5[C@H](C)C=CC[C@H]5C4=O)c(C)c3)CC2=O)cc1Cl 408639267 FKJBUIGYYNMZGD-JEYXGXKBSA-N 506.986 4.617 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(Cl)cc1Cl 408666089 ZXDGDLSCTUNKNR-FJAKRLOMSA-N 505.785 4.918 0 40 KJAB 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260734265 HEBALJNABSUTJE-SFHVURJKSA-N 565.523 4.959 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1C 260800487 PDOMSEUODUCPQR-OAQYLSRUSA-N 534.122 4.589 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC)S(=O)(=O)c2ccccc2)cc1 260858296 NCKLNXZTEIMSRV-LJQANCHMSA-N 562.519 4.914 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 260866445 JIDBHWPUVMOVHM-AREMUKBSSA-N 606.572 4.933 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 260971086 MMNDGIADRCIIRD-SFTDATJTSA-N 522.111 4.527 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 260972488 AAHNCVNAPFRPBF-OUTSHDOLSA-N 567.727 4.763 0 40 KJAB Cc1ccc(C)c(N(CCCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 260996423 OQAQNSPYWXMSAZ-JOCHJYFZSA-N 548.149 4.979 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)c2ccccc2F)cc1 261005646 SNJBPKCDCUEDPG-HSZRJFAPSA-N 553.700 4.970 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1Cl 261029988 XAADMANMBSJJJE-GOSISDBHSA-N 540.513 4.544 0 40 KJAB CN(C)S(=O)(=O)N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccccc1 261030036 XBVKYTIDAJGKGE-GDLZYMKVSA-N 641.632 4.761 0 40 KJAB CC[C@H](C)NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)c(C)c2)cc2cc(Br)ccc21 408573528 BRGRWGYMXBFBHC-ZDUSSCGKSA-N 550.251 4.712 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)c(Cl)c1 408589482 FULHCRAGEZAQBE-UHFFFAOYSA-N 606.528 4.579 0 40 KJAB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)c1 408640671 BKUHDEUTIOISNW-QFLSHGSDSA-N 585.012 4.615 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCC)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408837011 XUCFHPMCPCEFEJ-QCHPHUCNSA-N 697.389 4.963 0 40 KJAB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccccc4OC(C)C)c(=O)n32)cc1 408927741 XLBOVXIYCUMLSP-GJFKPFFXSA-N 522.692 4.696 0 40 KJAB 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4.939 0 40 KJAB CCOC(=O)N1CCN(C(=O)CSc2cn(Cc3ccc(Br)cc3)c3ccccc23)CC1 9391713 ZNLDDJIPEOXSOV-UHFFFAOYSA-N 516.461 4.845 0 40 KJAB CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)scc12 11757951 HYCIKBUPLJUIOL-UHFFFAOYSA-N 589.095 4.560 0 40 KJAB Cc1cc(C)nc(SCc2nnc(SCC(=O)N3CCCc4ccccc43)n2Cc2ccco2)n1 12494352 YYCZEDUVRCXISW-UHFFFAOYSA-N 506.657 4.690 0 40 KJAB O=C(CSc1nnc2c3ccccc3nc(C3CCCCC3)n12)Nc1ccc(N2CCOCC2)cc1 13086077 PLMNCTKDSNWDFQ-UHFFFAOYSA-N 502.644 4.893 0 40 KJAB COc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1OC 14153628 SLHZJDHBTQBBQT-UHFFFAOYSA-N 503.020 4.747 0 40 KJAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)cc1 16320909 HDIKWDFMAHZYLI-UHFFFAOYSA-N 501.431 4.562 0 40 KJAB COc1ccccc1[C@H](C)NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 20011630 KPDSARLRSPGKGS-SFHVURJKSA-N 517.445 4.526 0 40 KJAB Cc1ccc([C@@H](NC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)c2ccccc2)cc1 22512675 DSSUQORDEWLDAW-WDYNHAJCSA-N 512.631 4.998 0 40 KJAB 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O=C(CSc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1)NC[C@H]1CCCO1 707434 BANPGPBKZNQJJY-CQSZACIVSA-N 506.447 4.698 0 40 KJAB COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NCCc3ccc(OC)c(OC)c3)cc2c1 884728 OSNWACUXIGXKAQ-UHFFFAOYSA-N 523.680 4.735 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(Cc1ccccc1F)C(=O)Cn1nnc(-c2cccs2)n1 887441 KCSYCSJODUTJBK-DEOSSOPVSA-N 538.674 4.821 0 40 KJAB Cc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1C 924010 LRZZQLPVOSZTTL-UHFFFAOYSA-N 510.999 4.918 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 3771204 LJTDNVRTZLBXOF-PNZYDNNZSA-N 563.031 4.718 0 40 KJAB CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccc(S(=O)(=O)N2CCCCCC2)cc1 6878335 OAJYYWCDHQKBOQ-UHFFFAOYSA-N 543.715 4.578 0 40 KJAB COc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@H]3[C@]23N=C(c2ccccc2)OC3=O)cc1 8687168 PMGLUWPDZIVUOU-GURVGDRESA-N 507.590 4.909 0 40 KJAB aggregator COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cn(-c4ccccc4)nc3-c3cccc(OC)c3)C2)cc1 9260643 DNQWJPDAWUUXTQ-AREMUKBSSA-N 502.596 4.667 0 40 KJAB O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(F)cc2Cl)c1=O)NCCc1ccccc1 9617133 XRRHNXMBFQCIEP-UHFFFAOYSA-N 507.993 4.533 0 40 KJAB CCCOc1ccc([C@@H]2CN3C(=O)CN(C4CCCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC 12873480 QRAGGZVOVDIVCX-CHJDUVSTSA-N 501.627 4.939 0 40 KJAB biogenic CCc1ccc(N(CC(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccc(C)cc2)cc1 14155199 SEDQYTLRHOXHNB-NRFANRHFSA-N 507.656 4.920 0 40 KJAB COc1ccccc1N(CC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)c1ccc(C)cc1 19856521 OAPFOTSKRCFNPZ-UHFFFAOYSA-N 507.381 4.739 0 40 KJAB O=C(COc1ccc(Br)cc1)Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 20529133 PTIVFBNTXIKBOO-GIDUJCDVSA-N 520.427 4.829 0 40 KJAB Cc1ccc2c(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cn(CC(=O)Nc3cc(F)cc(F)c3)c2n1 21654900 QYYWNHOWMLVOPI-UHFFFAOYSA-N 507.884 4.992 0 40 KJAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(OC)c1 22835463 IKDGPRDXMVGIFA-UHFFFAOYSA-N 511.559 4.784 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1F)c1ccc(Cl)cc1 23510982 RBUQAAIWAWXBIJ-QPJJXVBHSA-N 514.022 4.751 0 40 KJAB CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccco2)c(C(=O)Nc2ccccc2Cl)n1 27661986 DAKYZMWQBLLEJV-UHFFFAOYSA-N 500.964 4.569 0 40 KJAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[nH]c(=O)c21 40399578 BBECUFXYCRAACO-NSHDSACASA-N 508.749 4.547 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1Cl 60016653 LMGSUAPPDXDGIC-UHFFFAOYSA-N 531.030 4.976 0 40 KJAB COc1ccccc1NS(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)c1 97982900 KDYWEODZLKBFRD-UHFFFAOYSA-N 658.705 4.664 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)c2)cc1 97982918 SFLLWUCFEYIPAU-UHFFFAOYSA-N 569.636 4.997 0 40 KJAB COc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)ccc1OC(=O)C[C@H]1SC(=O)NC1=O 97986463 SMDIBZMTIKMSKW-VLUSQRCCSA-N 529.574 4.585 0 40 KJAB COc1ccccc1CNc1nc([C@H](C)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2ccccc12 100035667 CQROMDJEIQUVAN-FQEVSTJZSA-N 552.100 4.971 0 40 KJAB 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CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2)cc1 102997440 GAKXNPVFZAKUIG-UHFFFAOYSA-N 549.693 4.825 0 40 KJAB Cc1ccccc1-n1c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1-c1ccc(Cl)cc1 103086156 PWCHAUZPMARTJG-UHFFFAOYSA-N 584.123 4.648 0 40 KJAB NC(=O)c1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccc(Cl)cc3)c2)cc1 103132682 KSRZPWPSUAEYKC-UHFFFAOYSA-N 578.046 4.630 0 40 KJAB CCOc1cc(C(=O)NC(=S)Nc2cccc(-c3nn4c(CC)nnc4s3)c2)cc(OCC)c1OCC 105351725 BUAQQTAOTLCANE-UHFFFAOYSA-N 540.671 4.738 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 111470819 CSJBUCXGLLFILJ-IGSWSUAKSA-N 522.985 4.851 0 40 KJAB CCCOc1ccc(Cl)cc1[C@@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C\c3cc(Br)c(OCC(=O)OC)c(OCC)c3)c(=O)n21 150398299 RSMPCVJASXVKMA-ZDZYTSRMSA-N 708.027 4.954 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC 164851505 UAEMXRQPPIPKMK-IPAKXIGBSA-N 679.147 4.755 0 40 KJAB COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CCC(=O)N2CCC(C(N)=O)CC2)c1 199402907 JUMWEZUTODUPMX-SSEXGKCCSA-N 536.632 4.503 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 222409766 DUZPABZNNYXVCV-FQEVSTJZSA-N 562.519 4.969 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223062628 CUZNDRFDJYLSPA-IBGZPJMESA-N 652.995 4.868 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 223155792 XNQHOEKNAAJIGX-AREMUKBSSA-N 542.101 4.706 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O 223173661 ZXTFALMGWMRXJQ-SSEXGKCCSA-N 563.764 4.880 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 223187345 VNOIHJGDPLZHRO-VQTJNVASSA-N 566.562 4.671 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 223307746 QQUXULNPSDMEPE-HHHXNRCGSA-N 556.128 4.662 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 223411327 PNNLBMOEQIMRGB-SANMLTNESA-N 599.725 4.760 0 40 KJAB Cc1ccc(OCCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1C 223496279 GRXSQBAJSGKCQK-UHFFFAOYSA-N 506.546 4.713 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1C 223499348 VUNGYUVITPMYCB-XMMPIXPASA-N 509.444 4.913 0 40 KJAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C(=O)NCc2ccccc2Cl)c2ccccc2)cc1 223507406 HJXBHBFNUFHQFE-UMSFTDKQSA-N 678.207 4.835 0 40 KJAB COCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 223513797 GATBWDPZDJPVCX-YTTGMZPUSA-N 635.714 4.547 0 40 KJAB CN(C)S(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1)c1ccccc1F 223611772 VLHPLQMCPHWASH-UHFFFAOYSA-N 521.614 4.601 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 223679380 ACSDPCGDCJHZJA-NDEPHWFRSA-N 595.762 4.931 0 40 KJAB CCOc1ccc(N(Cc2ccc(C(=O)NCCOc3ccccc3C(C)C)cc2)S(C)(=O)=O)cc1 223825364 KDZHVHBDAFZLNV-UHFFFAOYSA-N 510.656 4.984 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 223894232 USABZYKPCIPNAC-QFIPXVFZSA-N 616.578 4.987 0 40 KJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1c1ccc(N2CCOCC2)cc1 223920488 UILCHDUESJKEGZ-RTWAWAEBSA-N 501.475 4.919 0 40 KJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1c1ccc(N2CCOCC2)cc1 223920604 WHPKLQNRBPSFGB-NHCUHLMSSA-N 501.475 4.919 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 223953194 RARKFQLDJZAIKN-SFHVURJKSA-N 570.539 4.634 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 223995922 MVYVHFJJAVBWMI-MHZLTWQESA-N 569.699 4.753 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224214606 QRZGIYGTBFLSBP-DEOSSOPVSA-N 554.540 4.934 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 224328116 QWPZLNRQBCBZTJ-SANMLTNESA-N 558.100 4.842 0 40 KJAB 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FSEDRFXZOPVZCP-JGCGQSQUSA-N 609.639 4.595 0 40 KJAB COCCNC(=O)c1c(NC(=O)/C=C/c2ccccc2)n(Cc2ccccc2)c2nc3ccccc3nc12 9065218 WBLARDQKESRKTA-WUKNDPDISA-N 505.578 4.661 0 40 KJAB CCOc1ccccc1[C@@H](C(=O)NC(C)(C)CC)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 13024395 MPAGMTXCCQPPAT-SANMLTNESA-N 519.671 4.966 0 40 KJAB COc1cccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C(C)=O)c1 13030424 IWJMKUIKDUDKOJ-GDLZYMKVSA-N 527.625 4.579 0 40 KJAB CCc1sc2nc(SCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)n(Cc3ccc(C)cc3)c(=O)c2c1C 13134606 BWFSTYQYMDXKEY-UHFFFAOYSA-N 519.652 4.586 0 40 KJAB COc1cc(OC)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1Cl 13523747 TXDBCZRATVITGY-KBPBESRZSA-N 501.432 4.930 0 40 KJAB COc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccnc4)=NN32)c(C(=O)O)c1OC 13685244 RAUMHIVJGZWINU-WZONZLPQSA-N 510.344 4.802 0 40 KJAB COc1cccc(N(CC(=O)N[C@@H](C)c2ccc(SC)cc2)S(=O)(=O)c2cc(C)ccc2OC)c1 20015053 KWOWTRJIUNUGHB-IBGZPJMESA-N 514.669 4.807 0 40 KJAB COc1ccc(Nc2nc([C@@H](C)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc3ccccc23)cc1 22052443 VPCTUXDIQIXQFZ-LJQANCHMSA-N 521.618 4.589 0 40 KJAB O=C(O)[C@@H]1CCCN1C(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc(Cl)c3)N2C1=O 38139959 OPUJUXSZNVCDHY-KLJDGLGGSA-N 569.017 4.993 0 40 KJAB biogenic CN1CCN(C(=O)C[C@H](C2=Cc3ccccc3OC2)c2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)CC1 97971955 NWPLIHJNYNWKJR-HSZRJFAPSA-N 538.600 4.595 0 40 KJAB biogenic c1ccc(CCn2nnnc2[C@@H](c2ccccc2)N2CCN([C@H](c3ccccc3)c3nnnn3CCc3ccccc3)CC2)cc1 100435154 PSTLTHZPCQUALY-KKLWWLSJSA-N 610.770 4.642 0 40 KJAB COc1ccc(C(=O)Nc2cc(C(=O)Nc3ccccc3OC)ccc2N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 100850066 YXAJTRLWTLXUFH-URXFXBBRSA-N 564.642 4.994 0 40 KJAB COc1cc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2ccc(C)cc2)S3(=O)=O)cc(OC)c1 101273420 QBWIXOYYQCKYEK-UHFFFAOYSA-N 562.673 4.909 0 40 KJAB CCCSc1ncc(Br)c(C(=O)N[C@H](CCSC)C(=O)Nc2ccc(OCC)cc2)n1 101429571 YVWJIVHJNUCHEW-QGZVFWFLSA-N 527.510 4.630 0 40 KJAB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1 102926410 GLEFYLWMAPOUFW-UHFFFAOYSA-N 537.667 4.657 0 40 KJAB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)cc1Br 105317923 PCPZOTCIHWKROL-UHFFFAOYSA-N 577.888 4.793 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@H]1c1ccccc1OC 111462571 ZAQQHIKPDZOFAI-GJFKPFFXSA-N 579.472 4.829 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OC(C)=O)c(=O)n2[C@@H]1c1ccc(SC)cc1 163716457 MWJIWRVSALKKOM-VMOHIOPYSA-N 760.413 4.655 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 222508264 LDGMXIHOPCNQNC-MUAVYFROSA-N 581.735 4.621 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Br)c(C)c1 222537087 KMGOXPKVTJEKFL-FDDCHVKYSA-N 505.453 4.867 0 40 KJAB COC(=O)c1cn(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)c2ccccc12 222608382 NSTBKNDIIKKIJM-UHFFFAOYSA-N 509.411 4.617 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(I)cc1 222857502 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CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 223522979 OWZBVPGKHHNNDA-RUZDIDTESA-N 698.421 4.596 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 223538504 WIIBOISNYCGJOG-QHCPKHFHSA-N 500.661 4.529 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 223586564 SKLPPIFQUQIWDA-HHHXNRCGSA-N 630.605 4.780 0 40 KJAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C)cc2Br)o1 223704339 NLGKHTOXPZHLHK-YADHBBJMSA-N 500.418 4.948 0 40 KJAB C[C@@H](NC(=O)c1ccc(CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 223885103 MBGBEXQPEJBSBP-MRXNPFEDSA-N 555.505 4.854 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 223938591 KZDNLVJDOJPSHG-QFIPXVFZSA-N 616.578 4.987 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cc(C)cc(C)c2)c2ccc(Cl)cc2C)cc1 224062023 OLICLSQARZTAQY-UHFFFAOYSA-N 501.048 4.964 0 40 KJAB COc1ccc(CCC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1OC 224115223 CBCHESOGPBXBSB-KRWDZBQOSA-N 505.453 4.731 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 224141288 JUWNYZOWDCIRTF-SANMLTNESA-N 527.731 4.716 0 40 KJAB CN(C)S(=O)(=O)N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)c1ccc(F)cc1 224311063 XNFMLDOJFZRVEE-MHZLTWQESA-N 603.160 4.647 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 224326421 YRFLYZRUTUGUSK-IBGZPJMESA-N 542.529 4.566 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 224330560 URVPSWGMQYJOMH-MHZLTWQESA-N 572.127 4.878 0 40 KJAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 224347485 DNXNAEDLQAIFMF-MHZLTWQESA-N 570.155 4.824 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 224401152 KDCLBKPBAGDTRE-RUZDIDTESA-N 552.112 4.892 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 224430558 PAAWSINSNPJUDL-MUUNZHRXSA-N 614.606 4.998 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 224466057 VWZZQTNRRDFJJA-QHCPKHFHSA-N 600.565 4.643 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 224559429 GECYSEUPBWUBSA-SANMLTNESA-N 602.551 4.597 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 224680514 OBHCRBASKTYKGW-QFIPXVFZSA-N 569.674 4.945 0 40 KJAB CC[C@@H](C(=O)NCc1cccc(CN2CCCCC2)c1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224691441 UEQRFJUKMSERBJ-QHCPKHFHSA-N 512.503 4.840 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 224719266 JCQWSIUVNKTIPI-MRXNPFEDSA-N 605.382 4.998 0 40 KJAB Cc1ccc(OCCNC(=O)CCCN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c(C)c1 224796336 HXICHEULUCIBCN-UHFFFAOYSA-N 510.656 4.624 0 40 KJAB Cc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 224800340 UWYQMOJXWUKUMO-IBGZPJMESA-N 554.540 4.934 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 225122762 RFEWHHMWTOVLNS-DEOSSOPVSA-N 521.683 4.771 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 225186943 GFHHONQSGMQWFA-QFIPXVFZSA-N 587.689 4.892 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 225303878 UAWPCOMZAYDZKD-QHCPKHFHSA-N 542.529 4.728 0 40 KJAB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)ccc1NS(C)(=O)=O 225433803 LRCYNRRCIIWLCH-DQEYMECFSA-N 537.642 4.569 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 225435308 YIEMUVYKSYXENX-SFHVURJKSA-N 566.482 4.800 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 225448596 UKQQVRBZDRABFG-LJQANCHMSA-N 637.394 4.879 0 40 KJAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)ccc1NS(C)(=O)=O 225467755 SDBFNNJOBIJDGT-LOSJGSFVSA-N 503.653 4.729 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(I)cc1 225663142 SQPLPNOTCPQIEH-HRAATJIYSA-N 526.390 4.531 0 40 KJAB 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O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(Br)cc1 408640764 IROPHMIIBYHVCW-IRXDYDNUSA-N 503.780 4.518 0 40 KJAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)ccc1N1C(=O)[C@@H]2CC=C[C@@H](C)[C@H]2C1=O 408673137 WLRJJTMQIDVMTL-NYOIPOOOSA-N 506.986 4.617 0 40 KJAB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)Nc1cc(C(F)(F)F)ccc1Cl 408687334 UNTIERZRYYAOIS-BMHXQBNDSA-N 520.891 4.690 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(C)=O)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408753325 LXMYPFXYBBDDIO-SFKHYTNKSA-N 663.546 4.641 0 40 KJAB CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(I)cc2)cc1 408774966 DUIUPERTFCBZFX-UHFFFAOYSA-N 514.429 4.846 0 40 KJAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1I 408939696 TYWKDUOIBMFXGP-WQRHYEAKSA-N 522.364 4.673 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCc3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409043987 GEPNUORKURGADV-PQNXSAFSSA-N 707.201 4.990 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3cc(Br)c(Sc4ncccn4)o3)c2=O)=N1 409106122 MEBIWDLZUGXCBF-FJWZAKCXSA-N 655.552 4.604 0 40 KJAB O=C(COc1ccc(N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1)Nc1ccc(Br)cc1C(F)(F)F 409166884 GWWFEZNFKAIDQK-QGZVFWFLSA-N 634.405 4.883 0 40 KJAB CCOc1ccccc1N(CC(=O)NCCSCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 409181730 FJCIGQPACHGSTA-UHFFFAOYSA-N 519.088 4.984 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@H]1c1cc(Br)ccc1OC 409190306 RWLXSSZZEJDDJC-RISWYLRJSA-N 637.508 4.616 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(Br)c(Br)c1O 409231537 LBROAOAKDXAIDR-RIYZIHGNSA-N 510.182 4.717 0 40 KJAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)C1=O 409238103 CAWZJMXOYZZVMB-HZHRSRAPSA-N 577.435 4.560 0 40 KJAB CCOc1ccc2c(c1)cc(C(=O)N1CCN(C(C)C)CCCN(C(C)=O)c3cc(F)ccc3C1)n2C 643558936 XKXNKXKPDBWEBN-UHFFFAOYSA-N 508.638 4.826 0 40 KJAB C[C@@H](N[C@H]1CCN(c2ccc(C(=O)NCCCN3CCC(C(=O)O)CC3)cc2)C1)c1cccc2ccccc12 1772572772 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CCOC(=O)Cc1ccc(NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 226024476 BRJRUSVSOUFQNX-UHFFFAOYSA-N 533.021 4.723 0 40 KJAB CCOc1ccc(N(CC(=O)N2CCc3cc(Br)ccc32)S(=O)(=O)c2cc(C)ccc2OC)cc1 226059391 PVPDQCMTGGVXOE-UHFFFAOYSA-N 559.482 4.949 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1OC 260862717 IRKJZRPIVRJOJA-JOCHJYFZSA-N 602.153 4.803 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 260929917 HMITVVRQVIQROR-IRXDYDNUSA-N 562.947 4.787 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 260932034 XFGSHEJBAXAVNT-PKTZIBPZSA-N 539.673 4.661 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccc(F)cc2)[C@@H](CC)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 261010357 UEOUITUBDNZSOA-RLWLMLJZSA-N 533.710 4.656 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 261030975 JOQSISPLNMTJBZ-DFHRPNOPSA-N 630.605 4.779 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 261064895 OOVKPCNPIUGMOB-CUNXSJBXSA-N 600.579 4.770 0 40 KJAB C[C@H](OC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)C(=O)c1ccccc1 408648881 COZBYSGXZROUPB-YNVFUZDBSA-N 548.422 4.784 0 40 KJAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3)CC2)cc1 408678855 IQPOGXHAVHVXEE-UHFFFAOYSA-N 555.722 4.593 0 40 KJAB CCCC[C@H](C(=O)OCC(=O)Nc1ccccc1C)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408684349 JQQJCZJROYANER-XVLRFGCZSA-N 536.628 4.928 0 40 KJAB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)NCc3ccco3)c2)CC1 408701331 WHLINSDSWYDNNG-UHFFFAOYSA-N 516.019 4.536 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 408702020 JNTBKAHEKRTVGK-UHFFFAOYSA-N 604.921 4.721 0 40 KJAB COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)S(C)(=O)=O)cc1Cl 408712385 UXBJDMVHCAGWDR-UHFFFAOYSA-N 580.128 4.951 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 408754736 HTBLKQMSLKPSDU-VEOZPNHKSA-N 633.520 4.632 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C\c3c(C)n(C)c4ccccc34)c2=O)=N1 408819730 SSDPAUZZHLMAQB-FHMSYZJOSA-N 518.642 4.674 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3c(C)[nH]c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 408831624 RHAZGGWKHDBAOS-JCAJYURWSA-N 545.970 4.784 0 40 KJAB COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)S(=O)(=O)c2ccccc2)c1 408920868 QHHQTKNYEGKQPD-UHFFFAOYSA-N 579.700 4.947 0 40 KJAB Cc1cccc(C)c1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O 408925077 IMOCEZDVIKECMW-UHFFFAOYSA-N 555.600 4.528 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OC)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408937508 JOBJCDSZQBNPQT-VVOOWDFBSA-N 744.389 4.803 0 40 KJAB CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)ccc1OCc1ccc(F)cc1 409036810 BQMUYNYESVHWTD-HDFSHUSISA-N 572.658 4.915 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4ccc5c(c4)OCO5)c(I)c3)c2=O)=N1 409048491 WYBVBDOWNFRUSX-ZJTZAHLKSA-N 680.520 4.711 0 40 KJAB Cc1cc(I)cc(C)c1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C 409056265 GMEATZFMIHRNEJ-UHFFFAOYSA-N 542.830 5.000 0 40 KJAB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C4\C(=O)N(Cc5ccccc5)c5ccccc54)c(=O)n32)c1 409119233 RYSROIBOSRRHCS-LWSPANAXSA-N 612.711 4.800 0 40 KJAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cc(C)c(C)cc3Br)n2C)cc1 409136863 VFSZXIRTVBTLQJ-MRXNPFEDSA-N 516.465 4.725 0 40 KJAB Cc1cc(I)cc(C)c1NC(=O)CSc1nnc([C@H](NC(=O)c2ccccc2)C(C)C)n1C 409162422 DTCIZPAYYKUOKB-HXUWFJFHSA-N 577.492 4.894 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)OC 409166356 DJZXQCPATMJQCQ-VCHYOVAHSA-N 675.295 4.679 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OC(F)F)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 409169033 PCEYRINXGMNOIP-QAHUDSGCSA-N 562.594 4.546 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc(Br)c1O 409219732 PNTUITYQXKQWOA-LZYBPNLTSA-N 527.190 4.845 0 40 KJAB COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(-c4ccc(C)cc4Br)o3)C2=O)cc1 409249307 NDZWHBTVUSGVMK-NDENLUEZSA-N 510.344 4.558 0 40 KJAB O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 409272502 ZGJJKXAGTMYHNA-UHFFFAOYSA-N 568.504 4.612 0 40 KJAB COc1ccc(CN2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)cc1OCCCN1CCCC1=O 585281682 OXNHEMJKIWWMII-UHFFFAOYSA-N 531.093 4.763 0 40 KJAB COc1ccc(CCC(=O)N2CCN(C(C)C)CCCN(C(=O)c3ccncc3)c3ccc(F)cc3C2)cc1OC 643566799 KDDMWWQQWSRBPW-UHFFFAOYSA-N 562.686 4.960 0 40 KJAB COC(OC)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 842000 XSHUWUKNXJNEDY-XDJZYPBNSA-N 504.380 4.619 0 40 KJAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2ccccc2)c(C)c1 890229 ZXLRDOYKFBDVQT-UHFFFAOYSA-N 577.732 4.611 0 40 KJAB COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1270028 RIOZHDRCQIFYRF-CQSZACIVSA-N 553.379 4.885 0 40 KJAB CC(C)[C@@H]1Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nnc(S[C@@H](C)C(=O)N4CCCCC4)n32)CO1 1308224 NUNXEPSABFNINI-RXVVDRJESA-N 551.738 4.744 0 40 KJAB CCCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2)cc1 2091204 JCIDDKPFFUWEPV-LADGPHEKSA-N 549.693 4.868 0 40 KJAB biogenic O=C(CCC(=O)OCC(=O)c1ccc(Br)cc1)Nc1ccc(C(=O)OCC(=O)c2ccccc2)cc1 8448939 WGUVAUHXCCFGNK-UHFFFAOYSA-N 552.377 4.634 0 40 KJAB CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(=O)C34CC5CC(CC(C5)C3)C4)scc12 9381652 WQFZVPUOZWZIES-UHFFFAOYSA-N 507.612 4.787 0 40 KJAB O=C([C@H](Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 12318488 ZHJKKJFZCXMXKG-OCBJUFRSSA-N 535.688 4.707 0 40 KJAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3Cc3ccccc3)c12 12637341 IGIYHODTSIBXEY-JOCHJYFZSA-N 500.624 4.820 0 40 KJAB COc1cccc(NC(=O)c2ccc(N3C(=O)N4CCc5c([nH]c6ccc(OC)cc56)[C@@]4(C)C3=O)cc2)c1 12866156 QGJGDHGSNCCJCX-LJAQVGFWSA-N 510.550 4.678 0 40 KJAB biogenic COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)c1 13028602 XRGQCDWGDMOUNR-NDEPHWFRSA-N 515.589 4.802 0 40 KJAB COc1ccc(C(=O)N/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)NC[C@H]2CCCO2)cc1 13596634 KGDJCLIXFPGXAN-MVEZSNKKSA-N 522.605 4.614 0 40 KJAB Cc1ccc2nc(N(CCCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)sc2c1 17122097 MVNJVVZXVJTEKU-UHFFFAOYSA-N 514.717 4.768 0 40 KJAB Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1 19940948 MSJKDVSUIFNHIS-HHHXNRCGSA-N 515.637 4.687 0 40 KJAB COCCNC(=O)c1ccc(Cn2c(SCc3ccc(F)cc3Cl)nc3ccccc3c2=O)cc1 33058691 QWMXEWWLJOOOKH-UHFFFAOYSA-N 512.006 4.906 0 40 KJAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3OC)c2)C1 38139385 GDDPSVGNXFHLDT-XMMPIXPASA-N 536.650 4.506 0 40 KJAB CN1CCN(C(=O)C[C@@H](c2ccc3ncccc3c2)c2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)CC1 97972000 HUZUYCCBHFNGKF-QHCPKHFHSA-N 535.600 4.715 0 40 KJAB biogenic CCN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CC2)[C@@H]1CCS(=O)(=O)C1 97979805 YGPIRUDWRAJDKL-UWXVCKHVSA-N 557.043 4.707 0 40 KJAB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)COc2ccc(Cl)c(C)c2)c1 100405010 OMUXBWKLBDIFMJ-UHFFFAOYSA-N 536.028 4.805 0 40 KJAB CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(C)c(F)c4)n(-c4ccccc4C)c(=O)c23)C1 101447646 NZVSJIPEMKBKAC-UHFFFAOYSA-N 536.654 4.839 0 40 KJAB COc1cc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)ccc1OCc1ccccc1 103652031 FPMOGYUMRXEUTB-QTEQDKRBSA-N 522.570 4.605 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3cncc(Br)c3)CC2)cc1 104086026 GCQIQOWUFJIBIW-UHFFFAOYSA-N 549.878 4.569 0 40 KJAB Cc1ccc(N(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1Cl 107678006 OBFLJENJCGJFJA-YPAWHYETSA-N 526.420 4.597 0 40 KJAB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1O 147672540 SCWZTFKSLFNLKS-LWUPDDLQSA-N 545.458 4.795 0 40 KJAB O=C(CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 150339155 SLWMKSMUFPMDKA-MEROQGEASA-N 707.894 4.667 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 222465044 XPIWZCKNJLKPFO-NDEPHWFRSA-N 564.107 4.645 0 40 KJAB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NCCCNc2ccnc3cc(Cl)ccc23)cc1 222870345 LOIXOCJNZZTYIT-UHFFFAOYSA-N 503.068 4.516 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2cccc3cccc1c23 222890335 SMXWZOAYZHQHKI-RUZDIDTESA-N 501.627 4.921 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 222891613 MGXAUOKORVAQMX-QFIPXVFZSA-N 542.101 4.706 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 223006863 AZUITYYTQNSQLN-HXUWFJFHSA-N 590.515 4.645 0 40 KJAB COc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1C(=O)N1CCCCCC1 223130058 MDNCNCVQXGPTAA-UHFFFAOYSA-N 507.037 4.684 0 40 KJAB COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)N(Cc2ccc(F)cc2)C(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 223155560 RFJGZTQZXSGOMI-JGCGQSQUSA-N 617.743 4.552 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 223168784 SIDBAFWLDKIIOI-QFIPXVFZSA-N 602.153 4.886 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223208820 GGDNTOVUACGMNC-GDLZYMKVSA-N 563.764 4.835 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 223490500 PMYAMBWDEBUBIX-DEOSSOPVSA-N 581.735 4.541 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223589069 FGPXHIKSEWOYAL-LJAQVGFWSA-N 565.736 4.755 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 223648206 VCSDMOZATGIKPX-JOCHJYFZSA-N 542.101 4.706 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223813946 IASVZYWHJZUGGI-MHZLTWQESA-N 659.777 4.779 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223970882 JXMQBISIAMYHID-PMERELPUSA-N 595.762 4.764 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O 223984586 IPNAYZQANXKLOC-HHHXNRCGSA-N 545.746 4.528 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)c2ccccc2)cc1 224031931 ABHSWEBMNMYDQW-NRFANRHFSA-N 572.127 4.876 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)NCCOc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 224124860 VBTJKEMJRCDXQF-UHFFFAOYSA-N 523.438 4.701 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224240145 FETLENJPUYFGNM-MUUNZHRXSA-N 628.191 4.824 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 224401672 WDRWFOSXNOPFHU-AREMUKBSSA-N 618.569 4.909 0 40 KJAB CN(CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 224452900 LPMAYPHRSBLDSZ-NDEPHWFRSA-N 567.727 4.781 0 40 KJAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCc2cccc(CN3CCCC3)c2)cc1 224602378 GSXHCOKKFJOEAT-UHFFFAOYSA-N 512.075 4.832 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(CCc1ccccc1)[C@@H](CC)C(=O)NC1CCCC1)S(C)(=O)=O 224637470 YMXWSLQFOXBLMC-SANMLTNESA-N 557.757 4.540 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 224995126 AYDRLTOXRQHVQM-AREMUKBSSA-N 712.448 4.984 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 225075443 STJYXKVNTJNVKE-FCHUYYIVSA-N 536.138 4.835 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 225147282 WRYNEQDICVSCKI-GDLZYMKVSA-N 565.736 4.923 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 225562862 WKJUQQADLMVIPM-OAQYLSRUSA-N 558.100 4.840 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(-c3ccccc3)s2)c2ccc(F)cc2)cc1 225624865 ZWRUHCKBXAHVGO-UHFFFAOYSA-N 512.588 4.577 0 40 KJAB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2cccnc2)c1 225626894 CEWGCWPHLFHDJW-VSGBNLITSA-N 510.667 4.945 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 225704486 XHZVSEIKFVXOCC-MUUNZHRXSA-N 551.709 4.531 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 225728427 KQXGFGKGULSSFT-JOCHJYFZSA-N 562.054 4.765 0 40 KJAB CC1CCN(c2cc(N3CCC[C@@H](C)C3)nc(NC(=S)NCC3(c4ccccc4)CCOCC3)n2)CC1 225993452 HFOHRNKEBLHUTA-HSZRJFAPSA-N 522.763 4.984 0 40 KJAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(CC)cc(Br)cc2CC)cc1Cl 226075017 WBTDAEIDLVYGIJ-UHFFFAOYSA-N 517.873 4.885 0 40 KJAB O=C(OCCN1C(=O)[C@H]2[C@H]3c4ccccc4[C@@]34c3ccccc3[C@H]4[C@H]2C1=O)c1ccccc1C(=O)c1ccccc1 245237524 LZWOBEWYYLMSSC-OOGBSPHMSA-N 539.587 4.870 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 260754957 RLLAZYPIHLHECR-RUZDIDTESA-N 535.710 4.749 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 260756091 FATAXIVKMRZAAC-XMMPIXPASA-N 565.736 4.839 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC)S(=O)(=O)c2ccccc2)cc1 260762188 OUFUBOHARIFVNK-WJOKGBTCSA-N 603.716 4.806 0 40 KJAB COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)cc1OC 260818272 VDHOPXADZJLMBW-RUZDIDTESA-N 607.773 4.808 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 260938801 IKBGOKHETLDPBH-OUTSHDOLSA-N 565.736 4.921 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 260979688 NVGABPDLCOUAOG-HOFKKMOUSA-N 545.746 4.580 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 261034445 XRSUPXWMVSJLKH-IGKIAQTJSA-N 529.747 4.880 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 261091313 UCXUZUGFCZMKFP-HOTGVXAUSA-N 548.920 4.745 0 40 KJAB CC(=O)c1cccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408660342 PRQVRPBPILPFGG-ZOOKARTLSA-N 533.411 4.809 0 40 KJAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](c4ccccc4)CC[C@H]3C2=O)c1)Nc1ccc(F)cc1 408679308 COYWLTIJBVKKOH-OWAUWMPXSA-N 500.526 4.695 0 40 KJAB Cc1cc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)c(C)cc1Br 408684409 JYAFUCTUPYQRLD-JSNMRZPZSA-N 527.415 4.787 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3cc(Cl)ccc3Cl)S(C)(=O)=O)cc2)c(OC)c1 408702994 LSNNQCUWAFYEFN-UHFFFAOYSA-N 616.545 4.996 0 40 KJAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(O)c(OC)c3)c2=O)=N[C@@H]1c1ccc(OCc2ccccc2)c(OCC)c1 408730289 FLSFDWXIWXFARN-OBDCIHEFSA-N 600.693 4.599 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408754305 QABHFZFGRZPORA-NKYAOSOXSA-N 712.562 4.662 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCC)cc3Br)c(=O)n2[C@H]1c1ccccc1OC(C)C 408945626 XBSOUGZENBTWDN-KEQCBNTKSA-N 615.546 4.755 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCc3ccc(C(=O)OCC)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409043803 ZSOCRJKRQJDDMS-JEBSQDRDSA-N 744.819 4.513 0 40 KJAB COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/C(=O)N(Cc5ccccc5)c5ccc(Br)cc54)c(=O)n32)c1 409116218 MZWBPJWHCZKECK-WGGXKBPPSA-N 688.600 4.884 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409213217 TVLUIWYANBTEDX-YDZHTSKRSA-N 672.451 4.686 0 40 KJAB COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCC(C)CC4)o3)c(=O)n21 409276918 XZTMMRMJZPTAFW-OFCKJYIJSA-N 570.111 4.678 0 40 KJAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCC(=O)NCc2ccccc2)c(OCC)c1 409377278 HKZPHXHFWXVXEQ-RUZDIDTESA-N 507.612 4.548 0 40 KJAB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)c(Cl)c2)Cc2ccccc2)c1 409383105 RJTARUNTICXNHW-UHFFFAOYSA-N 509.411 4.840 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)Cc1ccccc1 409389254 NWNHDNGUCKOZLI-UHFFFAOYSA-N 503.418 4.596 0 40 KJAB CC[C@H](C)[C@H](NC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O)c1nc2ccccc2[nH]1 604405368 ZRCNYEUVBYMRCT-LCAJTWGOSA-N 505.571 4.670 0 40 KJAB biogenic Cc1ccc(CN(CC(=O)Nc2ccc(F)cc2F)S(=O)(=O)c2ccc(Br)cc2)cc1 622636 GZCNTJXNLKEACQ-UHFFFAOYSA-N 509.372 4.865 0 40 KJAB Cc1ccc(S(=O)(=O)N2C(=O)c3ccccc3N(S(=O)(=O)c3ccc(C)cc3)C(=O)c3ccccc32)cc1 842139 XQWRQKNERKKCCN-UHFFFAOYSA-N 546.626 4.688 0 40 KJAB CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C 2091602 CJNMQGRTENFCQH-DEOSSOPVSA-N 521.591 4.748 0 40 KJAB biogenic Cc1c(NC(=O)COC(=O)c2ccc(-c3nc4ccccc4s3)s2)c(=O)n(-c2ccccc2)n1C 3525691 OSPPGDVLLXGLTK-UHFFFAOYSA-N 504.593 4.618 0 40 KJAB CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC 3643365 WUIKDXVBMXZRDR-NRFANRHFSA-N 520.563 4.892 0 40 KJAB Cc1ccc(N(C(=O)Cn2nnc(-c3ccccc3)n2)[C@@H](C(=O)NC2CCCCC2)c2ccccn2)cc1C 6280363 YKHVYZVSYQWPLJ-MUUNZHRXSA-N 523.641 4.575 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O)N1CCN(c2ccccc2)CC1 8426117 TUCAURPTHGFOLT-CJLVFECKSA-N 545.646 4.692 0 40 KJAB Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c1 8449751 RQWAXWOMMIKPTP-LGAXSRDJSA-N 637.324 4.935 0 40 KJAB CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCC(=O)N3[C@@H]3OC(=O)c4c3ccc(OC)c4OC)ccc21 8964891 JMGMSZDOGDGSIK-RBISFHTESA-N 513.550 4.630 0 40 KJAB biogenic COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)c1 9907043 BVTRZOYTVXARMB-MHZLTWQESA-N 527.581 4.811 0 40 KJAB COCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(-c3ccc(Cl)c(Cl)c3)o1)n2Cc1ccccc1 12531515 WWFJEAGBXKGKKL-UHFFFAOYSA-N 511.365 4.815 0 40 KJAB CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N(CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O 13501000 RKHKSYDNLKOAJM-XTEPFMGCSA-N 514.674 4.897 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccc(C)cc2)c2ccc(F)cc2)cc1 14154340 KOAXLRUJUBZIQC-UHFFFAOYSA-N 502.633 4.637 0 40 KJAB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)[C@]1(C(=O)OCc3ccccc3)CCCN1[C@H]2c1ccc2ccccc2n1 14944315 VDIVWQCPHRJJKY-WPQKMFINSA-N 517.585 4.673 0 40 KJAB COc1ccc(CCN(C(=O)Nc2ccc(Cl)cc2)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 18249784 MLJZMFYSMHCODV-XMMPIXPASA-N 507.974 4.766 0 40 KJAB COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N(Cc1ccccc1)Cc1ccc(Cl)cc1 19973085 SVNODZJZTKFDTK-MHZLTWQESA-N 529.044 4.915 0 40 KJAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)cc1 20040573 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0 40 KJAB COc1c(I)cc(I)cc1[C@H]1NC(=O)c2c(sc3c2CC[C@H](C)C3)N1 101016660 IKDMXHJNFYBXLQ-PWJLMRLQSA-N 580.229 4.945 0 40 KJAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl 103047456 UHHIVOAGOSKCQA-NJDAHSKKSA-N 516.907 4.712 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(OC)c(OC)c3)c2=O)=N1 104677189 GAVASEMBSPAEQZ-CMISJSSVSA-N 534.678 4.719 0 40 KJAB COc1ccc(Br)cc1C(=O)NC(=S)Nc1cc(C)c(I)cc1C 105040392 MNFPXSCGXIHESD-UHFFFAOYSA-N 519.202 4.806 0 40 KJAB COc1cc(CNCCSc2nnnn2C)cc(Br)c1OCc1ccc(Cl)cc1Cl 105251487 ULOPTKPHCRCHIN-UHFFFAOYSA-N 533.279 4.749 0 40 KJAB COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(C(=O)O)c(Cl)c1 105305575 RSXHKRKJVZVFPK-UHFFFAOYSA-N 522.602 4.699 0 40 KJAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)c(F)c1F 105317321 RUZIJLSXSYVGFP-UHFFFAOYSA-N 580.991 4.994 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 107575978 UDKYBBNTDFSARE-ZJTZAHLKSA-N 564.704 4.629 0 40 KJAB 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COc1ccc(C)c(NC(=O)CN2CCOCCOc3ccc(-c4cncnc4)cc3Cc3cccc(c3)C2)c1 2037885147 MGXPEZZWYRUUGZ-UHFFFAOYSA-N 538.648 4.901 0 40 KJAB O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)N(c1ccccc1)c1ccccc1 901860 LOEYUXQLLIXLEY-UHFFFAOYSA-N 520.636 4.978 0 40 KJAB O=C(NCc1ccccc1)C(=Cc1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)NCc1ccccc1 2637091 CXCAHHOQLDDYEU-UHFFFAOYSA-N 513.601 4.951 0 40 KJAB Cc1ccc(Cn2c(=O)c3ccccc3n3c(SCC(=O)N[C@@H]4CCCc5ccccc54)nnc23)cc1 2652869 IMDAKJYTUQQHLI-XMMPIXPASA-N 509.635 4.687 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N(Cc3ccccc3)Cc3ccc(OC)cc3)cc2c1 6198260 ZXXMFFZIHDXHTF-GDLZYMKVSA-N 538.652 4.524 0 40 KJAB COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(Br)cc2)c(OC)cc1Cl 10060084 POZOGWHBMZTAGB-LJQANCHMSA-N 504.772 4.639 0 40 KJAB COC(=O)c1ccc(Cl)c(NC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)c1 10693634 GDAPKQYOSKLBJN-UHFFFAOYSA-N 519.834 4.614 0 40 KJAB C[C@H]1N(C)c2cc(NC(=O)c3ccco3)c([P@@](=O)(Nc3ccccc3)N3CCOCC3)cc2C1(C)C 12558656 QFVGEQQQFNIKTN-LRFXEURWSA-N 508.559 4.911 0 40 KJAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCSCc3ccc(C)cc3)cc2)cc1OC 14154607 HZLZPHATNCPAPB-UHFFFAOYSA-N 514.669 4.501 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(=O)(=O)c2ccccc2)cc1 20233970 AWHRKGGNPOFDMC-UHFFFAOYSA-N 503.418 4.990 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC)c4ccccc34)c(=O)n2[C@@H]1c1cccc2ccccc12 33371471 WRKPHINCYAAKTI-XQNWCSQWSA-N 521.642 4.926 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 59852964 PIWBFVXZWLBRQH-UHFFFAOYSA-N 601.106 4.769 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)S(=O)(=O)c2ccccc2)c1 59885092 SPGUOVFWAFOHBT-UHFFFAOYSA-N 609.726 4.955 0 40 KJAB COc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC 59931202 RHHTZFIWPQTXKT-UHFFFAOYSA-N 576.090 4.733 0 40 KJAB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2cccc(Br)c2)c1 97945758 FCGGTIBXEQTOEV-UHFFFAOYSA-N 536.426 4.841 0 40 KJAB CSC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@@H](C(=O)O)C(C)C 97957055 OERNFYIYCRDRPJ-DMBDEWFESA-N 709.887 4.888 0 40 KJAB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)o2)cc1 97960616 UGKAEVZUPWVYQJ-XIEYBQDHSA-N 545.617 4.508 0 40 KJAB CC(C)N(C(=O)CO[C@H]1[C@@H]([C@H]2COC3(CCCCC3)O2)O[C@@H]2OC3(CCCCC3)O[C@H]12)c1ccccc1 98048396 DAHHAWNSAVMYJT-UIKHAHSZSA-N 515.647 4.690 0 40 KJAB biogenic CC(=O)Nc1ccc(N(C(=O)CSCC(=O)Nc2cc(C)on2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1 100285524 CYZBXIHQEZCXBT-HHHXNRCGSA-N 583.736 4.898 0 40 KJAB CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)n(CC)c12 100820364 WPNSYWDLCOHYCT-QPLCGJKRSA-N 501.674 4.816 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(C)C)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 103518668 DUAJUXKQMMWHLU-LCQSEVKBSA-N 564.704 4.629 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 103750755 SESOROZRKNKUEH-LYRGBEMXSA-N 555.494 4.693 0 40 KJAB COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc(Br)c1O 105990130 YZUYFDBAUXUNHL-JAXLGGSGSA-N 574.225 4.977 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCc3nc4ccccc4n3C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 108451523 NNUMNGDDLQZWCV-CPJSRVTESA-N 627.742 4.910 0 40 KJAB biogenic O=c1/c(=C\c2cc(Br)ccc2O)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 167086660 MHPYRBFTOHWTCF-AQIZGWBQSA-N 533.422 4.926 0 40 KJAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccccc4Cl)S(C)(=O)=O)cc3)cc2)n1 216410640 GIYPVYCRTOKGQH-UHFFFAOYSA-N 600.122 4.766 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)NC)S(C)(=O)=O)cc1 222711429 YLSYMCKNNQTHLC-SANMLTNESA-N 592.545 4.544 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 222731513 UVCJIRGRCVFJOK-QFIPXVFZSA-N 569.699 4.670 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 222937421 WIMUURZHTSOMHJ-HNNXBMFYSA-N 548.920 4.599 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 223039048 XQUDDGQZEMTFHZ-LJQANCHMSA-N 592.943 4.851 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 223491785 NRICAQLRFFHLDN-JOCHJYFZSA-N 572.127 4.878 0 40 KJAB O=C(NCCOc1ccc2ccccc2c1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 223612038 FFGKZNRAEDDQNP-UHFFFAOYSA-N 521.466 4.884 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Br)cc1 223985922 AHQBLKMFJFBNCB-NRFANRHFSA-N 632.577 4.605 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 224189961 FUONZDIXQBOCRO-VWLOTQADSA-N 625.788 4.796 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224584850 JIAWBMHWCVQHJC-HSZRJFAPSA-N 570.539 4.634 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 224822014 YNDBMIXNTRSGPN-QFIPXVFZSA-N 562.947 4.992 0 40 KJAB CCSc1nnc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3cc(C(C)(C)C)ccc3O2)s1 224935055 HYLPFBWIVDMUSE-HXUWFJFHSA-N 532.713 4.851 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(SC)cc1 225027080 ONTXGPXOZYCHKA-HSZRJFAPSA-N 613.802 4.955 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 225027947 KWWGUNZNOLVROR-FQEVSTJZSA-N 576.090 4.627 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 225063948 XPUUSPAGQCSGQB-SANMLTNESA-N 545.721 4.937 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225114825 CNGHHVFSBUYNNL-LEWJYISDSA-N 552.137 4.535 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 225152255 VYWOUWQCBBEASU-JKSUJKDBSA-N 548.920 4.745 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 225210775 CRRJINPFIDDNHV-HXUWFJFHSA-N 566.562 4.672 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225222979 VWVICRMJLSRHGF-GOSISDBHSA-N 584.964 4.589 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)c(Br)c(C)c1 225369191 SHAFFTYPWYQOIA-RBUKOAKNSA-N 505.453 4.785 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 225448234 URBKUDFRWFLMTN-MHZLTWQESA-N 586.154 4.671 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)c2ccc(F)cc2)cc1 225482196 MMQMJNHWLLOSSQ-QHCPKHFHSA-N 539.673 4.580 0 40 KJAB COc1ccc(-c2nnc(NC(=O)c3cc(NS(=O)(=O)c4ccccc4)ccc3Cl)s2)cc1 225775095 NTEOWIBFRKUBLG-UHFFFAOYSA-N 500.989 4.920 0 40 KJAB CCC1(CC)C[C@@H](NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3ccccc3O2)c2ccccc2O1 260746259 UWQFLSSQMPYIDD-YIXXDRMTSA-N 536.650 4.850 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3nnc(SCc4ccccc4)s3)Oc3ccc(C)cc32)cc1 260772380 XRUKMZVJVNREHP-HSZRJFAPSA-N 568.702 4.742 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1C 260797393 PKLUNKKGGZPVNZ-HSZRJFAPSA-N 553.700 4.970 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1 260866606 JOZPXYYXQPQHNT-MUUNZHRXSA-N 570.155 4.888 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 260880242 BZAUGHIKDBGQDM-RTWAWAEBSA-N 522.111 4.527 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 260918055 SIVJEQQJNOGRCL-RUZDIDTESA-N 565.736 4.779 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 260961134 LDAAXKHFCMPBIT-NHCUHLMSSA-N 536.138 4.781 0 40 KJAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 408613756 XXARKVUJEQZEEO-UHFFFAOYSA-N 587.698 4.819 0 40 KJAB COc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(=O)N1CCCCCC1)S(=O)(=O)c1ccccc1 408617786 JSMWFHJOWSMGEF-UHFFFAOYSA-N 535.666 4.854 0 40 KJAB COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408646274 IMVLQUFBUQNJQA-CCIFJCQYSA-N 515.393 4.662 0 40 KJAB COc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c(OC)c1 408652380 HZTABECVGBVEFB-CTVOCKSQSA-N 551.426 4.624 0 40 KJAB COc1ccc(OC)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@@H]4C3=O)c2)c1 408683292 MNTVCMJPORDNJU-FBVYBBNNSA-N 588.616 4.896 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCCC4)ccc3Cl)cc2)c1 408701852 HDVGEWUVUOHZHR-UHFFFAOYSA-N 608.138 4.975 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408861742 ABLPRWBEPSCETM-IPAKXIGBSA-N 679.147 4.755 0 40 KJAB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(Br)cc(OC)c2O)C1=O 408864895 AXLOJANVFIMBPK-SOFYXZRVSA-N 561.332 4.866 0 40 KJAB COC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 408921032 RDNOIHDGMJTXDW-UHFFFAOYSA-N 507.395 4.922 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 408935360 DNMNDQLFCBGNNW-IZBTWGKQSA-N 599.448 4.682 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(s/c(=C\c3ccccc3Br)c2=O)=N1 408964481 RNYIQYGKPVYDTN-FOOJEKODSA-N 530.447 4.636 0 40 KJAB CCOC(=O)COc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)N(CC)CC)=C(C)N=2 409102765 ZXHBDVYEPMBDBG-ZNRKBWGRSA-N 618.155 4.852 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4C)o3)c2=O)=N1 409120313 YZKSKUFWTAFWDV-UNDLXJOSSA-N 630.719 4.951 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)O)C2=O)cc(I)c1OCc1ccc(Cl)cc1 409123477 CCRWEXCQJKVFMP-PXNMLYILSA-N 559.765 4.653 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 409124201 AHCUHTOCFYSWCM-MRXNPFEDSA-N 516.465 4.899 0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 409313705 PHIPQLKWZBMWGI-UHFFFAOYSA-N 555.722 4.702 0 40 KJAB CCOc1c(I)cc(C(=O)Nc2ccccc2I)cc1OC 409363248 KRBMWMRZDGGPJT-UHFFFAOYSA-N 523.108 4.555 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409406808 CRMQZSCHWKZWTJ-UHFFFAOYSA-N 550.102 4.513 0 40 KJAB COCC(=O)N1CCCCCCCN(C(=O)CCCn2c(C)cc(C)nc2=O)Cc2cc(-c3cccnc3)ccc21 643562313 PTUJLLUTYWCIMU-UHFFFAOYSA-N 559.711 4.675 0 40 KJAB Cc1nccn1CCC(=O)N1CCCN(CC(C)C)CCCN(C(=O)c2cccnc2)c2ccc(F)cc2C1 643572269 DQFGFKYMIYTPAP-UHFFFAOYSA-N 534.680 4.543 0 40 KJAB O=C(NCC[C@H]1CCCCN1C1CCCC1)c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2 643584904 WZBXYQPABDQJTB-GDLZYMKVSA-N 505.703 4.693 0 40 KJAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1 925511 ZZRXTNWKBACSLU-UHFFFAOYSA-N 504.637 4.849 0 40 KJAB O=C(O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1 1878882 GKGDYTLWUINVEC-KVEMZPMDSA-N 553.206 4.795 0 40 KJAB CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1F 3031585 BHNIFLNKLGYCEP-UHFFFAOYSA-N 511.619 4.604 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(Br)s1)n2CC 3424504 INLAUHSSXBQYDI-UHFFFAOYSA-N 516.508 4.886 0 40 KJAB CCCOc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)c1 4123096 XVRWVWQCLYDFKJ-UHFFFAOYSA-N 502.640 4.565 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)[C@H](C(=O)NC(C)(C)C)c2cccs2)cc1 6075102 JEXKRSNHGWUZAA-DEOSSOPVSA-N 553.088 4.748 0 40 KJAB CC(C)CCNC(=O)[C@H](c1cccs1)N(C(=O)Cn1nnc(-c2ccccc2F)n1)c1ccccc1F 6134646 VGGSDTUHAUNOHP-DEOSSOPVSA-N 524.597 4.617 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 8430001 CTTRAZPKBNADLN-UHFFFAOYSA-N 557.672 4.810 0 40 KJAB O=C(c1nn2c(c1Br)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCN(Cc2ccccc2)CC1 8444639 DUIMXRXLLRFQOZ-SJLPKXTDSA-N 538.368 4.857 0 40 KJAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccccc1I 8835281 LOEJMNHUSWQXMD-UHFFFAOYSA-N 514.348 4.930 0 40 KJAB CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(=O)c3ccc(C(F)(F)F)cc3)scc12 9381692 UTIPBOKWWBWFAE-UHFFFAOYSA-N 517.485 4.904 0 40 KJAB CN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3ccc(Br)cc3)nnn2c2ccccc12 9830030 TZYDUQIEEVAXHA-UHFFFAOYSA-N 508.401 4.509 0 40 KJAB O=S(=O)(c1ccc(Br)cc1)c1nnn2c1nc(N1CCc3ccccc31)c1ccccc12 9830034 LJQQCSZOKLNULO-UHFFFAOYSA-N 506.385 4.567 0 40 KJAB 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592.655 4.595 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 225497708 NVBYDPOYSONCBJ-LJAQVGFWSA-N 567.727 4.765 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 225526858 OZLOHMNYCKEFDI-QHCPKHFHSA-N 569.699 4.670 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 225542652 ZWAVNKYORHTUEP-OAQYLSRUSA-N 558.100 4.840 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225543795 HXFFZSLJXNNDPF-HHHXNRCGSA-N 556.128 4.581 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225653617 LHZZHBSQRYYHMD-QFIPXVFZSA-N 572.127 4.794 0 40 KJAB COC(=O)c1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1cccc(C)c1 225658149 WMXKUJPUIYNPEP-NSOVKSMOSA-N 539.661 4.969 0 40 KJAB COC(=O)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2OC)cc1 225678487 RCLNFDGMCZBNJL-NSOVKSMOSA-N 555.660 4.669 0 40 KJAB CCOC(=O)Cc1ccc(NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 226017971 UARYLHFDZYXTSQ-UHFFFAOYSA-N 515.031 4.584 0 40 KJAB CNc1nc(-c2ccc(OC)c(NC(=O)c3ccc(OC)c(S(=O)(=O)N4CCCCCC4)c3)c2)cs1 226046138 XUWIZZBMLMTFNU-UHFFFAOYSA-N 530.672 4.686 0 40 KJAB O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 252510196 ZDQRANLOGTZOLK-UHFFFAOYSA-N 517.629 4.802 0 40 KJAB CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)O 255989684 NGNZQSPFQJCBJQ-RHAMUZCRSA-N 785.983 4.724 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)c2cccc(Cl)c2)cc1 260713767 DZVOXWHZSZTBRM-JOCHJYFZSA-N 542.101 4.786 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 260785149 LLKSQCBYCCFTIO-XMMPIXPASA-N 593.746 4.684 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 260882004 CCZZAGJFJOQMHD-GIGWZHCTSA-N 565.736 4.921 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@H](C)c3ccc4c(c3)CCC4)Oc3ccc(Cl)cc32)cc1 260920018 FFNSXAQAAZZNFO-WGDIFIGCSA-N 527.042 4.671 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccc2c(c1)OCCO2 260950293 VARTURKNBILUBE-GDLZYMKVSA-N 640.202 4.966 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 260974341 AGOATQOGKNZLJL-ZBLYBZFDSA-N 574.118 4.800 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 260978284 AULMRBKCFMBHOG-GIGWZHCTSA-N 597.753 4.935 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 261055791 MTLFAFAZDJGMCT-HXUWFJFHSA-N 596.588 4.726 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 261077233 QTEARKMGAOCVSN-MUAVYFROSA-N 583.726 4.545 0 40 KJAB 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](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 267330451 XOCXXEYUGYTCNG-ZTOWVSLKSA-N 586.766 4.531 0 40 KJAB biogenic O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)c(I)c2)C1=O)N1CCCC1 408549902 BFHRCVTXUGMCGV-UDWIEESQSA-N 566.392 4.668 0 40 KJAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1OC 408561676 VAIKZQIEYLTVFM-UHFFFAOYSA-N 511.383 4.829 0 40 KJAB O=C(NCc1ccc(F)cc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 408577714 JBGXIHISYZTYMO-KRWDZBQOSA-N 510.363 4.510 0 40 KJAB CCn1c2ccccc2c2cc(NC(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc3Cl)ccc21 408612883 ZKXHKZYDPNZGFC-UHFFFAOYSA-N 528.030 4.506 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(C)c(C)c1 408619288 HCEGVFHEBNPLJN-DHZHZOJOSA-N 547.721 4.673 0 40 KJAB COc1cc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(OC)cc1Cl 408620961 NDRSDRBNKUMYFA-UHFFFAOYSA-N 509.411 4.840 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 408702834 OXOWFXCWZPAXDT-UHFFFAOYSA-N 554.477 4.831 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408761678 KQDPCRXZARWHAE-OGEXXFCLSA-N 754.599 4.881 0 40 KJAB COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccc(C)cc2C)=C(C)N=3)cc1 408835024 WQNHURIDZIDUJH-XQNWCSQWSA-N 539.657 4.508 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Br)c(OC)c(OC)c4)c(=O)n32)cc1 409078555 ITSCGCFRHYSYNR-MKWGYRPRSA-N 620.525 4.662 0 40 KJAB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)ccc1Cl 409151129 AFFXKTYCBWOJNS-QRVIBDJDSA-N 617.057 4.578 0 40 KJAB CCC(=O)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc(OC)cc2)OC1=O 409192854 GBHZUBGVOLJXSZ-SXGWCWSVSA-N 509.150 4.880 0 40 KJAB CCCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)cc1OCC 409194349 KIMZFDRGWRVBSE-KQWNVCNZSA-N 651.523 4.990 0 40 KJAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)C1=O 409242416 UTDMFYDAEDDAKA-LPYMAVHISA-N 535.984 4.776 0 40 KJAB COc1ccc(Cn2nnnc2[C@@H](C(C)C)N(Cc2ccc(F)cc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 1336743 ILADYWYDEBWTAP-GDLZYMKVSA-N 570.625 4.839 0 40 KJAB CC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O 1375209 ZJECKHOTFFBPMD-QHCPKHFHSA-N 502.619 4.769 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cccnc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 1375337 RBBSLHCFGFWBKF-MHZLTWQESA-N 511.605 4.867 0 40 KJAB COC(=O)c1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 2402255 JDXHFOUQDHGTTQ-SFHVURJKSA-N 511.353 4.857 0 40 KJAB COc1ccc(CNC(=O)CC[C@@H]2N=C3c4ccccc4N=C(SCc4ccccc4F)N3C2=O)cc1 2967301 XRVGGSWMLKBCQX-DEOSSOPVSA-N 516.598 4.823 0 40 KJAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3211076 XPWCPMSOHUGMLN-UHFFFAOYSA-N 506.447 5.000 0 40 KJAB O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1cccc(C(F)(F)F)c1)NCCc1ccccc1 3426006 VCIKJIMYSXRRIO-UHFFFAOYSA-N 510.965 4.909 0 40 KJAB O=C(OC[C@@H]1O[C@@H](n2cnc3c(=S)nc[nH]c32)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 4747973 HCXWEAGLVGVNCO-DWIHMJRXSA-N 596.621 4.694 0 40 KJAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCCN)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 5460494 JBTFQOSFMKZRTP-XZWHSSHBSA-N 614.699 4.841 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@H](C(=O)NC(C)(C)C)c3cccs3)n2)cc1OC 6075114 QSNAZNWAWFBWQS-VWLOTQADSA-N 583.114 4.757 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1OCC 8452243 KIFAOBHZDURJBC-HSUOJCLFSA-N 584.694 4.785 0 40 KJAB CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3cccc(Cl)c3Cl)c(=O)n21 8452500 INUHADPHKQJJBH-OOIVEFLKSA-N 517.434 4.504 0 40 KJAB Cc1ccc(N2C(=O)CS[C@@]23C(=O)N(CN2CCC(C)CC2)c2ccccc23)cc1Br 8854822 PMGMHJOXXFWBNW-DEOSSOPVSA-N 500.462 4.726 0 40 KJAB Cc1ccccc1[C@@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1S(=O)(=O)c1ccc(Cl)cc1 9380945 KIWDFMNFEAHQPA-QHCPKHFHSA-N 504.033 4.560 0 40 KJAB CCOC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2OC)cc1 11726292 HJADNKKPSSUCGX-DEOSSOPVSA-N 505.567 4.708 0 40 KJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 13681341 KJKCISPTBFVUCY-UHFFFAOYSA-N 526.486 4.702 0 40 KJAB CCOc1ccccc1C(=O)Oc1coc(CSc2nnc(NC(=O)C(CC)CC)s2)cc1=O 16047872 PEZAOCQRUHBXSG-UHFFFAOYSA-N 503.602 4.776 0 40 KJAB CCc1ccc(S(=O)(=O)NC[C@@]2(C)C[C@H](NS(=O)(=O)c3ccc(CC)cc3)CC(C)(C)C2)cc1 16162049 DKMWFKYFHYZURJ-GJZUVCINSA-N 506.734 4.653 0 40 KJAB CCOc1cccc2sc(N(CCN(CC)CC)C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc12 17376283 PXOSAAHZVBFMPX-UHFFFAOYSA-N 544.743 4.858 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)c1ccccc1 19855932 DIWYUXOPWUXDSE-UHFFFAOYSA-N 507.381 4.821 0 40 KJAB COC(=O)c1cc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)ccc2s1 20017088 SUSGMFDHONUWIN-UHFFFAOYSA-N 508.621 4.881 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 39755525 PRXQTNWHSFHDTM-UHFFFAOYSA-N 508.059 4.895 0 40 KJAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)[C@@H](CC(=O)Nc3ccc(OC(C)=O)cc3)S2)cc1 59690836 HVQUUOGWRPSVJU-CLJLJLNGSA-N 542.617 4.798 0 40 KJAB O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1 59780903 ZUIJUHAXSZCONR-MGBGTMOVSA-N 617.750 4.542 0 40 KJAB CCOc1cccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)c1 60060649 RWPGRAMWZRIMPU-UHFFFAOYSA-N 547.471 4.677 0 40 KJAB CSCC[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(C)cc3)N2C1=O)C(=O)O 70706770 ORRDPIAVOQQSSR-MPYJOUPCSA-N 582.682 4.895 0 40 KJAB biogenic COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)c(OC)c1 100363699 NHFPDNYPZUFQBV-MUUNZHRXSA-N 547.681 4.729 0 40 KJAB CC(C)(C(=O)N1CCc2c(nc(N3CCOCC3)n(C(=O)C(C)(C)c3ccc(Cl)cc3)c2=O)C1)c1ccc(Cl)cc1 100479749 COHKGUWOCFALRI-UHFFFAOYSA-N 597.543 4.867 0 40 KJAB C[C@@H]1CCCC(=O)N(C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C1=O 101094743 GCSPSVYRCZWBHN-CJNGLKHVSA-N 522.237 4.856 0 40 KJAB CC[C@@H]1N[C@]2(C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12 103017921 SBGUJUZVKRHORC-XRLCUDTISA-N 550.442 4.932 0 40 KJAB 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O=C(O)CN(CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Cn1cnc2c(=O)nc(NC(=O)OC(c3ccccc3)c3ccccc3)[nH]c21 196141892 ZNHVLNAONKUINW-UHFFFAOYSA-N 741.761 4.910 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 222484799 UXCLECLDJCJERL-SANMLTNESA-N 576.546 4.926 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 222834547 MPQODONHRGLAPL-SFHVURJKSA-N 598.043 4.726 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)cc1 222844409 YCKSAZWKMPVASJ-NDEPHWFRSA-N 630.605 4.636 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 222991694 VWFDZKFRYFDFED-OAQYLSRUSA-N 602.551 4.597 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 223068607 PGISXNNACVBIMA-DEOSSOPVSA-N 595.762 4.930 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223088743 AZZROPYUTDGZCA-QFIPXVFZSA-N 536.138 4.837 0 40 KJAB 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PXFPAQIFPRDSGI-VGOFMYFVSA-N 501.280 4.550 0 40 KJAB COC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O 409275736 WHIMHOILPGGFNA-CIAFOILYSA-N 555.406 4.829 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1cc(Br)ccc1O 409412274 DQXXLWVWQJRQKQ-UHFFFAOYSA-N 512.227 4.926 0 40 KJAB COc1ccccc1CC(=O)N1CCCC[C@@H]2CN(c3ncc(C(=O)O)c(CCc4ccc(Cl)cc4)n3)C[C@H]21 585266125 MNGFFEHWYPRCNR-ATIYNZHBSA-N 549.071 4.682 0 40 KJAB Cc1ccc(N(C(=O)[C@@H]2COc3ccccc3O2)[C@@H](C(=O)NC2CCCCC2)c2cn(C)nc2C)cc1C 931349 JKJQTCOVPMYURB-WUFINQPMSA-N 516.642 4.709 0 40 KJAB CS(=O)(=O)N(CC(=O)NCCSCc1ccc(Cl)cc1Cl)c1ccccc1Br 2089092 RPZFNAXPXWKASQ-UHFFFAOYSA-N 526.305 4.572 0 40 KJAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc(Br)c3)N2C(=O)CN1CCc1ccccc1 2115401 NLCUDTVPPRJLBK-IGKIAQTJSA-N 514.423 4.858 0 40 KJAB biogenic Cc1cc(NC(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)n2N)ccc1Br 3304961 OIVAVWYTMCFXAH-UHFFFAOYSA-N 501.431 4.641 0 40 KJAB CC[C@@](C)(C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl)N(C)C(=O)CSc1ncn[nH]1 3772593 PGTFWUPPTMNBBB-REWPJTCUSA-N 506.459 4.737 0 40 KJAB CC(=O)Oc1ccc(Oc2c(I)cc(C(=O)O)cc2I)cc1I 4214719 AXVCIZJRCOHMQX-UHFFFAOYSA-N 649.944 4.916 0 40 KJAB in-man C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(NC(=O)c3c(F)cccc3F)nc1[C@H]2CC(=O)NCc1ccccc1 4222391 XYHNZQIEEVEPEI-NLRBBOGQSA-N 569.674 4.796 0 40 KJAB biogenic,in-vitro C[C@@]12CC[C@@H](OC(=O)Nc3cccc(C(F)(F)F)c3)[C@@](C)(CO)[C@H]1CC[C@@H](O)[C@H]2CC(=O)N1CCCC1 4236726 OUZSWAONTHOIQY-BQFZYXLFSA-N 526.596 4.821 0 40 KJAB biogenic,in-vitro COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)/C(=C/Nc3cccc(O)c3)c3ccccc3C2=O)c1 5941421 VBCZNONIPGHUCD-XIEYBQDHSA-N 541.585 4.842 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1 6462153 SBXNWBIANHOBHL-QHCPKHFHSA-N 532.670 4.615 0 40 KJAB COc1ccc(Cl)cc1NC(=O)[C@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 9319388 ZKJXRHVXXVVYBF-CXSMSNRLSA-N 506.002 4.631 0 40 KJAB O=C(Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)NC[C@@H](c1ccco1)N1CCCC1 12598758 NIMJPPRQOGPQRR-QFIPXVFZSA-N 521.561 4.595 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCc3ccccc3F)c(=O)cc1[C@@H](NC(C)=O)CC2 12880195 AAVHROOWTUQFMU-QHCPKHFHSA-N 506.574 4.657 0 40 KJAB biogenic CCOc1ccc(N(CC(=O)N[C@@H](CC)c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 20111178 DZGTVVNXKPUYBZ-VWLOTQADSA-N 526.655 4.874 0 40 KJAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(I)cc2)CC1 21578043 IYTKQTQKQVOLKK-UHFFFAOYSA-N 511.791 4.646 0 40 KJAB CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccc(C)o2)c(C(=O)Nc2ccccc2Cl)n1 27661982 QRIOEPGFJWIKFF-UHFFFAOYSA-N 514.991 4.877 0 40 KJAB Cc1ccc(N(CC(=O)NCc2ccc(CN3CCCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 44871646 HQUDNMFVZTUABV-UHFFFAOYSA-N 512.075 4.756 0 40 KJAB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1 44873510 QSLDJCBGGAWBBM-UHFFFAOYSA-N 512.075 4.838 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 59651901 KXULOIWUZLMQEG-UHFFFAOYSA-N 547.608 4.598 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(Cc3ccc(OC)c(OC)c3)C2=S)cc1 97995481 RFWLXYXKNCENOD-HSZRJFAPSA-N 565.623 4.551 0 40 KJAB O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 100367615 PCNTTWQFLOCFAO-UHFFFAOYSA-N 602.786 4.701 0 40 KJAB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Cl)c(O)c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 101421564 OAYCQRPMQSYVCB-KEQCBNTKSA-N 531.033 4.695 0 40 KJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSC1=N/C(=C/c2cn(C)nc2C)C(=O)N1CC 101610566 CYFCNMIACDMMRG-UDWIEESQSA-N 537.667 4.565 0 40 KJAB COc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1S(=O)(=O)Nc1cc(C)ccc1Br 103005670 YNXCTBPJWVZDTR-UHFFFAOYSA-N 543.395 4.926 0 40 KJAB CCOC(=O)c1[nH]c(COC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c(C(=O)OCC)c1C 103135804 BXBMZRCMDSUQSL-OAQYLSRUSA-N 541.000 4.935 0 40 KJAB Cc1cc(C)c(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)c1C 150427248 KGHRBTKNURTGFV-MUUNZHRXSA-N 695.782 4.637 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 222416091 GFQUEEOEWPWUJF-MHZLTWQESA-N 521.683 4.522 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC)S(C)(=O)=O)cc1 222487136 OXMWWRUPXXXORU-NDEPHWFRSA-N 570.155 4.835 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 222550325 BNTIXAARGYMHPX-HXUWFJFHSA-N 562.519 4.969 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 222897889 UCXFDLAHAFDWGQ-JOCHJYFZSA-N 556.128 4.960 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 223182693 RDDFAPLYRNBBLZ-FQEVSTJZSA-N 522.111 4.563 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 223377256 ZZNLUQJCTGLEFN-OAQYLSRUSA-N 542.529 4.790 0 40 KJAB CSc1nnc(NC(=O)c2ccc(CN(c3cc(Cl)cc(Cl)c3)S(C)(=O)=O)cc2)s1 223404969 GJPDBMARLUOMBW-UHFFFAOYSA-N 503.458 4.785 0 40 KJAB COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)[C@@H](C(=O)NCC(C)C)c2ccccc2)cc1 223529451 DAFWJHCJXGKKBB-GDLZYMKVSA-N 504.627 4.797 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223655170 SLDKIXVKWNNYPT-GDLZYMKVSA-N 595.762 4.762 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 223978151 LWTJXFDFBNTCPP-QFIPXVFZSA-N 572.127 4.714 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)c2cc(C)cc(C)c2)cc1OC 224067480 OEJNJAJAYVADGV-QHCPKHFHSA-N 613.752 4.987 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224381230 ASAVCKQPMNHWNN-NXCFDTQHSA-N 550.099 4.536 0 40 KJAB Cc1ccc(Cl)cc1N(CCCC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 224690532 GTRQLNKUAXVWFU-FQEVSTJZSA-N 552.112 4.810 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224716719 SWCUQQFBAKEUGG-QFIPXVFZSA-N 562.947 4.992 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 224759186 QCWHAXCREWHIGU-LJAQVGFWSA-N 583.726 4.750 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 224799048 LYTKHICCXWGBTD-GOSISDBHSA-N 584.964 4.735 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 224857000 UGVGEKDPMHOWDA-QFIPXVFZSA-N 562.947 4.992 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 224972474 SPOYXEUEWZTDSL-WJOKGBTCSA-N 645.753 4.957 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 225185912 LCDHYWJYOUPDHR-JKSUJKDBSA-N 548.920 4.745 0 40 KJAB Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1 225389549 ZLSGHXJRZHRTDW-RPBOFIJWSA-N 503.653 4.729 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 225448642 DVZMOXUHHBTFLK-HHHXNRCGSA-N 574.118 4.802 0 40 KJAB C[C@H]1C[C@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NCC3(c4ccccc4)CCCC3)n2)C1 225971034 HDEVMXLGJFLTCP-VXKWHMMOSA-N 508.736 4.594 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2c3ccc(Br)cc3C[C@@H]2C)Cc2ccccc2)cc1C 226046078 UCSDBQXFAXVHJM-IBGZPJMESA-N 543.483 4.935 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@]3(CCCN(CC(=O)Nc4ccccc4OC(F)F)C3)OC[C@@H]2Cc2ccccc2)cc1 257281560 OPUVCRYRUCFTNV-FKAPRUDGSA-N 599.700 4.702 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 260942290 ISYYRMAZCXAPBR-AHWVRZQESA-N 529.747 4.880 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)c1C 260960407 XVKVJEDQLJZNGH-XMMPIXPASA-N 553.700 4.827 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 260975620 NFDMGEYUGGYSIR-MSOLQXFVSA-N 562.054 4.765 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 261011447 GYFVBEHSSMTCBO-AMGIVPHBSA-N 630.605 4.779 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 261028313 WQSHPUBTKTUTIL-AREMUKBSSA-N 630.605 4.779 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 261040267 YNUXZQJKUMTECP-UZLBHIALSA-N 546.492 4.621 0 40 KJAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(Cl)cc1Cl 408642152 DPAODOMYGPPFGN-GETUCHRZSA-N 505.785 4.918 0 40 KJAB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)Nc2cc(C)c(Br)c(C)c2)CC1=O 408671014 RRDRGVCQRXBZAL-IBGZPJMESA-N 501.421 4.726 0 40 KJAB Cc1c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)ccc(Br)c1Cl 408686472 NFFDSVOMDWLYQB-IRXDYDNUSA-N 531.790 4.662 0 40 KJAB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(I)c1OCc1cccc(C(=O)O)c1 408902549 JPNDKWIFQFMZBD-XKZIYDEJSA-N 598.418 4.737 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(C(=O)OC)c4)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408977258 WIGRPUMMQDDEPZ-BIWBSIMWSA-N 607.084 4.897 0 40 KJAB Cc1c(Cl)cccc1N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(=O)(=O)c1ccccc1 409027210 CELVETDOQUTCTF-UHFFFAOYSA-N 512.031 4.718 0 40 KJAB Cc1ccc(CNC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 409091155 PUIHJVCBGVEDQD-UHFFFAOYSA-N 501.446 4.573 0 40 KJAB CCc1cccc2c(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)cn(CC(=O)NCCOC)c12 409126928 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DMFFFUFZWNVCSX-NRFANRHFSA-N 591.652 4.771 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1C 224229109 JQSBEVYIWAUWQU-QFIPXVFZSA-N 536.138 4.693 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224236179 ZEGDBCBRKRNDMJ-MHZLTWQESA-N 570.155 4.969 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 224267935 MKPUWNOCOZXICN-LJAQVGFWSA-N 563.764 4.878 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cc(OC)cc(OC)c1 224869169 NWQGOJSTXIPAQR-HSZRJFAPSA-N 511.446 4.969 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224892088 WLSGEAKPWKYHEI-HHHXNRCGSA-N 614.164 4.780 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 224975168 HQHOALBJCBWJNY-PMERELPUSA-N 579.738 4.853 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1 224983634 YCPZWPCXKNIZIK-VWLOTQADSA-N 509.444 4.993 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 224989219 WEFPWTAYMGIVMZ-DHIUTWEWSA-N 539.673 4.661 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 225214780 FFVGNCGIXWZVPN-HHHXNRCGSA-N 561.720 4.637 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225436101 OYDQCYBAAYIYOY-LOSJGSFVSA-N 595.762 4.582 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 225609469 SVEDJJPICKJBEC-RXFWQSSRSA-N 544.117 4.836 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1C)S(C)(=O)=O 225731766 OYSNPLWMYDMWTK-PGRDOPGGSA-N 542.529 4.790 0 40 KJAB O=C(Nc1nnc(-c2ccccc2)s1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 225822508 QXADWFXQAPLGPU-UHFFFAOYSA-N 511.456 4.692 0 40 KJAB CCOC(=O)Cc1ccc(NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 226029680 UPVJDRCQTHAHPL-UHFFFAOYSA-N 515.031 4.584 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)Cc2ccccc2Cl)cc1 226030937 GQNAUVPBVWJDJL-HKBQPEDESA-N 618.155 4.992 0 40 KJAB O=C(O)CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1OCC(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccccc1 257249312 JHQGMLYKEFGXCZ-FTJBHMTQSA-N 560.956 4.941 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 260737253 LRCDSFMXRYVQDI-RUZDIDTESA-N 535.710 4.749 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC)S(C)(=O)=O 260768979 VECYICSZXJYEEG-HHHXNRCGSA-N 586.154 4.671 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 260969415 MDZUFZWPUKNEOM-NVQXNPDNSA-N 533.710 4.711 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 261105305 WYFNPNZLNIMZRR-CVEARBPZSA-N 593.371 4.854 0 40 KJAB CC[C@@H](C)NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)cc2C)cc2cc(Br)ccc21 408578676 LLGDOZFAOOANDW-CYBMUJFWSA-N 550.251 4.712 0 40 KJAB O=C(O)/C(=C/c1cc(Br)c(N2CCOCC2)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408635219 YKLMQBXIXNJENM-GDNBJRDFSA-N 511.785 4.535 0 40 KJAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(C(=O)OCC(=O)c5ccccc5)cc4)cc3)C(=O)[C@H]2C1 408677113 DSGYMTHSYYLIPA-UIOOFZCWSA-N 522.557 4.824 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3Br)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408736087 DSSYATSLVXELOA-YMSBRDKKSA-N 555.494 4.693 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OC(C)C)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408839610 BFXGYJHCWSFNQJ-WLJFKGHSSA-N 581.012 4.790 0 40 KJAB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(Br)s3)c(=O)n21 408957319 SQPFVNPWGATTBY-PLMLNFJUSA-N 612.365 4.782 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409043812 ZTWOQWRXOBMVNN-GSOQPGDSSA-N 760.388 4.509 0 40 KJAB COc1ccc(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 409054498 AOKWIHHWDLPSPQ-UHFFFAOYSA-N 533.444 4.604 0 40 KJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 409128752 SGMLQAJBRVWQOK-QFIPXVFZSA-N 507.656 4.974 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)c2cccc(Cl)c2)cc1 409174180 SVHUZNREKAQIPF-UHFFFAOYSA-N 530.046 4.568 0 40 KJAB Cn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cccc2ccccc12 409349058 QMIMAVKZBDSDAE-UHFFFAOYSA-N 500.411 4.936 0 40 KJAB O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1F)c1ccc(Cl)cc1 409382759 QOGYRYSBSSSSGB-PMACEKPBSA-N 520.296 4.607 0 40 KJAB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)Nc2ccccc2C(F)(F)F)c1 409383578 XCHJWEQQVRMKMT-YADHBBJMSA-N 529.467 4.797 0 40 KJAB Cc1cc(OC[C@@]2(CC(=O)N3CCC(O)CC3)CCCN(C(=O)c3ccc(F)cc3)C2)cc(C)c1Cl 585286788 IVHXYESGBGNROQ-MUUNZHRXSA-N 517.041 4.771 0 40 KJAB CC(C)C[C@@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)c2cccc(Cl)c2)CC(=O)N1 643556984 SYQUHBNJZPBASA-OAQYLSRUSA-N 520.457 4.569 0 40 KJAB CN1CC(=O)NCCCOc2ccccc2C(=O)N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CCC(=O)N(C)[C@@H](Cc2ccccc2)COc2ccccc2C1=O 643570197 QUOAPSPTCZSISX-VQIIKMDRSA-N 835.974 4.688 0 40 KJAB COc1cc([C@H](CC(=O)NCC(OC)OC)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC 1547138933 IEDQDGJSJLJWKV-RDPSFJRHSA-N 643.730 4.863 0 40 KJAB biogenic CN1CCCCCCOc2ccccc2C(=O)N[C@H](C(=O)N2CCC(c3ccccc3)CC2)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O 1615159278 NCGMCNUSMKNOJU-HEVIKAOCSA-N 668.835 4.816 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(C(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)OCCO2 930980 SXZWZSCSSNQYSY-VPUSJEBWSA-N 534.634 4.883 0 40 KJAB COc1cccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)c(F)c2)c1 1372590 FGKWKUKKDZPGJJ-PMERELPUSA-N 537.595 4.978 0 40 KJAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)OCCN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 1515528 UVQDBPUPFWRAKN-AGTZKDDFSA-N 586.710 4.546 0 40 KJAB COc1ccc(N(C(=O)CN2C(=O)c3ccccc3C2=O)C2(C(=O)Nc3c(C)cccc3C)CCCC2)cc1 2027072 RODVXZLDXHQARK-UHFFFAOYSA-N 525.605 4.893 0 40 KJAB Cc1c(CC(=O)N2CCC(C(N)=O)CC2)c(=O)oc2cc3occ(-c4ccc(Br)cc4)c3cc12 2136607 LDJJZCNSTOTKBR-UHFFFAOYSA-N 523.383 4.544 0 40 KJAB biogenic O=C(CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)Nc1ccc(OC(F)F)cc1 3296349 YZZNVXZVBMYPHF-UHFFFAOYSA-N 511.554 4.592 0 40 KJAB COc1ccc(-c2csc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)n2)cc1 3373249 RGQGOKNEXZLUMJ-UHFFFAOYSA-N 525.574 4.877 0 40 KJAB Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)N3CCN(c4nc5ccccc5s4)CC3)c(=O)[nH]c2cc1C 6321007 ZSOXIHRXHKRHSH-SANMLTNESA-N 540.697 4.768 0 40 KJAB O=C(NCCc1ccccc1)C1CCC(Cn2c(=O)c3ccccc3n(Cc3cccc(F)c3)c2=O)CC1 8684542 WMMBPISPWOEFLW-UHFFFAOYSA-N 513.613 4.516 0 40 KJAB Cc1ccccc1CN(C(=O)CN1C(=O)C(=O)c2ccccc21)[C@@H](C(=O)Nc1ccc(N(C)C)cc1)[C@@H]1CC=CCC1 8695756 LCJQFYWECXRDTB-WBBHLRKXSA-N 564.686 4.983 0 40 KJAB Cc1ccc(N2C(=O)CS[C@@]23C(=O)N(CC(=O)NCc2ccccc2Cl)c2ccccc23)cc1C 8756777 JHUGHICWTKIJFW-MHZLTWQESA-N 506.027 4.553 0 40 KJAB Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5ccccc5Cl)CC4)cc3)o2)cc1 12694496 LIZCIXGSVWMWPH-UHFFFAOYSA-N 523.014 4.512 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)c(OC)c1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C 13024139 KNEZMKBTUGOWBI-NDEPHWFRSA-N 529.641 4.836 0 40 KJAB CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccccc2C)c1 13031260 WLNHZOZXZSUYTI-GDLZYMKVSA-N 511.626 4.879 0 40 KJAB CCOc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2cccs2)c1 13031745 QBBGACZWHKLOMF-SANMLTNESA-N 505.644 4.828 0 40 KJAB Cc1ccc(C(=O)N/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)NCCCN(C)C)cc1 16711581 BDYGXEUNIMSHRQ-HFTWOUSFSA-N 507.638 4.687 0 40 KJAB CC[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1 19934415 RNKPVFABTFQJDG-JOCHJYFZSA-N 503.020 4.820 0 40 KJAB CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(OC)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 20108200 CYILXCUECXIVOZ-LJQANCHMSA-N 514.669 4.889 0 40 KJAB CCOc1ccc(N(CC(=O)NCCSc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 20233940 DUVNGJIEPRLVLR-UHFFFAOYSA-N 505.061 4.843 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccccc2)cc1Cl 20489708 AVNVGXYDIVXQHI-UHFFFAOYSA-N 517.003 4.749 0 40 KJAB CC[C@H](NC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 22312488 ILZYMKHXCJKROF-QHCPKHFHSA-N 503.020 4.820 0 40 KJAB O=C(COc1ccc(Cl)cc1)NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl 35263789 HSRXBLVOTGSRKE-UHFFFAOYSA-N 500.363 4.686 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(CN3CCCC3)cc2)c2ccc(C)c(C)c2)cc1 44857265 VBHOTXZJGDCTRJ-UHFFFAOYSA-N 505.684 4.719 0 40 KJAB CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4c(F)c(F)c(OC)c(F)c4F)cc3n2)cc1 59331599 AFCSKFQMDQXJHH-UHFFFAOYSA-N 517.508 4.983 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 59923601 BDYZFTRDHVQLPU-UHFFFAOYSA-N 601.106 4.769 0 40 KJAB O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 59929210 DKGBZXVCFDYOKR-PMERELPUSA-N 539.701 4.510 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@H]1c1ccccc1 66123111 UUCXREQQGWJFMA-ZUXOAJPSSA-N 590.657 4.982 0 40 KJAB O=S(=O)(c1ccc(F)c(F)c1)c1cnc2ccc(F)cc2c1N1CCCC[C@@H]1CCN1CCOCC1 71775282 ZXSZUBKSMBIADP-LJQANCHMSA-N 519.589 4.566 0 40 KJAB CC[C@@H](C)[C@@H](NC(=O)Cc1c(C)c2cc3c4c(oc3cc2oc1=O)CCCC4)C(=O)N[C@@H](C(=O)O)c1ccccc1 97956995 FEXAWTUXOSIKSD-XRFWAPHDSA-N 558.631 4.742 0 40 KJAB COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)CNC(=O)c2cccs2)c2cccc(C)c2C)cc1OC 100414576 QKOJFLMDXDMSPL-AREMUKBSSA-N 537.682 4.801 0 40 KJAB CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(C)cc4C)n(Cc4ccccc4)c(=O)c23)C1 101447699 VCKOYAJSXMETMC-UHFFFAOYSA-N 532.691 4.759 0 40 KJAB COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc(Br)c1O 102765887 XBBIEGFKVNGMRY-QNWVGRARSA-N 509.356 4.523 0 40 KJAB COc1cc(C(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 102999692 MGJOZTYFTLRWSG-UHFFFAOYSA-N 544.482 4.730 0 40 KJAB COc1cccc(NC(=O)CCCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)c1 108450783 PPSPBDWTJATOHU-VWLOTQADSA-N 575.662 4.702 0 40 KJAB biogenic Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1S(=O)(=O)N(C)C 108879977 KAYXBJOEHKQJKX-VNYTWHDVSA-N 543.715 4.825 0 40 KJAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)c1 112246781 ILYXPKCWXCECKA-UHFFFAOYSA-N 558.612 4.908 0 40 KJAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C2CCCCC2)cc1 150383465 DCNPEPVUYRGOON-MHZLTWQESA-N 694.942 4.777 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3cc(Br)c(N(C)C)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 164848833 UOMDTDDGGTUEFZ-JJEHFPDLSA-N 650.473 4.924 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 222512409 WKBRUKGELZEPLF-XMMPIXPASA-N 600.034 4.650 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 222623162 KLTWYQAQDAVGPY-HSZRJFAPSA-N 575.662 4.977 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 222707644 MHWNTWMZGWWNEX-IBGZPJMESA-N 578.518 4.669 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222716404 UWIXTEOSVZMYPA-DEOSSOPVSA-N 535.710 4.831 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 222903520 UORKBQJEQNVJJC-NDEPHWFRSA-N 535.710 4.565 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 223021557 MVMUPHSHCPMURN-AREMUKBSSA-N 542.101 4.706 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223161911 AVYLKMTTXCNBKI-GDLZYMKVSA-N 563.764 4.835 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 223199097 NKXACBFPRKFEBK-YTTGMZPUSA-N 599.753 4.975 0 40 KJAB CC(C)CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 223373482 HFFBITQVMUUIDE-NDEPHWFRSA-N 556.128 4.644 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 223381393 CLPSMNYPBMYNSH-DEOSSOPVSA-N 578.518 4.751 0 40 KJAB 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CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 225386446 REDMSJQPKYRLSA-FGZHOGPDSA-N 602.153 4.885 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 225425895 HAOSVFIAHCGCHE-DHIUTWEWSA-N 556.128 4.910 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC)c2ccc(C)cc2)cc1 225508384 WLOYWFVSPIGWMH-YTTGMZPUSA-N 599.753 4.975 0 40 KJAB CCOc1ccc(CNC(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)cc1OCC 225572651 APKNALLIUZGSDV-UHFFFAOYSA-N 510.656 4.997 0 40 KJAB C[C@@H]1CCCCN1c1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NCc2ccccc2)n1 225928230 VVQHYOHMGHMEGN-JOCHJYFZSA-N 501.704 4.669 0 40 KJAB COc1ccc(CN(C)C(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 226024732 HKGMZSGCSWLWPR-UHFFFAOYSA-N 551.890 4.961 0 40 KJAB CCOC(=O)C1(c2ccc(NC(=O)CN(Cc3cccc(C)c3)S(=O)(=O)c3ccc(C)cc3)cc2)CC1 226031591 JENQFXJCCJPAEF-UHFFFAOYSA-N 520.651 4.728 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(=O)NC)S(=O)(=O)c2ccc(Cl)cc2)cc1 260864217 ZKSKVYNDXAJJAA-HHHXNRCGSA-N 572.127 4.796 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)c2ccccc2)cc1 260936469 YSATUEYYOBBCIK-JOCHJYFZSA-N 572.127 4.733 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 260949423 JRPPFJCDXANSHP-QCDSWUKFSA-N 579.763 4.964 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 260979905 NXZXOTOHVDDNQR-GCJKJVERSA-N 576.081 4.889 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 261048445 ZQROIDPZIMETFL-CUBQBAPOSA-N 595.762 4.930 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 261120966 ZGKYEUKAAGLQDW-OALUTQOASA-N 542.529 4.872 0 40 KJAB CCOC(=O)Oc1c(OC)cc(C(=O)O[C@@H]2C[C@@H]3CN4CCc5c([nH]c6cc(OC)ccc56)[C@@H]4C[C@@H]3[C@H](C(=O)OC)[C@H]2OC)cc1OC 263613274 ZCDNRPPFBQDQHR-DGDSCYNPSA-N 666.724 4.698 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(Br)cc2)cc1C 408529691 IZMNFZIYUWICLZ-UHFFFAOYSA-N 517.445 4.638 0 40 KJAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)ccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O 408660880 LUPACJJHMZGAED-NXHRZFHOSA-N 515.393 4.940 0 40 KJAB O=C([C@H](Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)N1CCCCCC1 408689794 ZIPILSQELBSEFE-LWFYKLESSA-N 504.630 4.893 0 40 KJAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)OCC(=O)Nc4ccc(Br)c(Cl)c4C)c3)C(=O)[C@H]21 408691381 ZPLIZFDNQSCNNZ-VYOKXSSZSA-N 557.828 4.908 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1C(=O)N1CCCCC1 408693492 XJHIYVNRDOUWIV-UHFFFAOYSA-N 564.085 4.576 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1F 408694046 HQMBWLYZOQCJIW-UHFFFAOYSA-N 505.376 4.743 0 40 KJAB Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)S(C)(=O)=O 408712574 SMUOPUDYJABEFU-UHFFFAOYSA-N 536.075 4.634 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(Cl)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408826852 DHPRTPVSSTTXPM-GJFKPFFXSA-N 525.070 4.974 0 40 KJAB CCOc1cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 408848892 WXGZNDWFOQLOPP-FYJGNVAPSA-N 533.533 4.683 0 40 KJAB NC(=O)c1ccc(NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 409056535 GZCGCWFGEACUKM-UHFFFAOYSA-N 526.829 4.575 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409089628 OIWQJWFVLPITCW-RGVLZGJSSA-N 624.453 4.614 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 409147285 WBIXOYDWZSQFTA-NIQJEMAJSA-N 597.118 4.611 0 40 KJAB CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2C)cc1 409166383 DDBVQGOKPJVSOY-CQSZACIVSA-N 556.010 4.864 0 40 KJAB COc1ccc(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1 409200246 KESOMSBTSHBKLD-UHFFFAOYSA-N 523.836 4.941 0 40 KJAB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4OC)C3=O)o2)cc1 409269642 LBBWXKNVIVAMGB-HYARGMPZSA-N 506.536 4.807 0 40 KJAB CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1c(F)cc(F)cc1Br 409343059 CPMALBMGOKPPFN-UHFFFAOYSA-N 513.364 4.657 0 40 KJAB CCCOC(=O)c1cccc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccccc3Cl)C(C)C)n2C)c1 409352805 DVHSSWFXAYMRLE-JOCHJYFZSA-N 544.077 4.893 0 40 KJAB Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409377330 GLFUNEBRZKTWGN-LEWJYISDSA-N 516.333 4.776 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 409379372 WMRCKCYRXJADQX-YUMHPJSZSA-N 572.639 4.984 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)o1 409399420 ILNVCNDCXSHGBK-JAIQZWGSSA-N 602.381 4.660 0 40 KJAB CC(C)C(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2CN(c3ncc(C(=O)O)c(COc4ccc(F)cc4)n3)CC[C@@H]21 409412946 GXWPWKDMTQJCGM-USZFVNFHSA-N 536.579 4.509 0 40 KJAB CCc1nccn1CCCOc1ccc(CN2CCC[C@@](O)(COc3ccccc3F)CC2)cc1OC 585271845 OXSVDXTWPPPHHN-LJAQVGFWSA-N 511.638 4.858 0 40 KJAB COc1cc(CN2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OCCn1cc(C)cn1 585272233 RIOQDJILUFEQOH-MUUNZHRXSA-N 514.066 4.955 0 40 KJAB CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCC(c3ccccc3)CC2)CCC(=O)N[C@@H](Cc2ccccc2)C1=O 643913182 JMFFQAHHGNWMQW-LQJZCPKCSA-N 638.809 4.720 0 40 KJAB COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2cccc3cccnc23)n1-c1ccccc1 832572 QNXQGIRTTASIQF-UHFFFAOYSA-N 525.590 4.912 0 40 KJAB COc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2c1 879839 DKGDGXGZYAWYPO-GOSISDBHSA-N 501.608 4.903 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@@H](C(=O)NC3CCCC3)c3cccs3)n2)cc1 906387 CGOYDTSXVROEOT-RUZDIDTESA-N 500.628 4.543 0 40 KJAB COc1ccc(OC)c(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccccc2)c2ccccc2C)c1 1372566 CUGPYUHYVSPKCR-HKBQPEDESA-N 549.631 4.848 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 2082148 ZHSNFGNWQPWWHL-GJFKPFFXSA-N 535.021 4.720 0 40 KJAB COc1ccc(Cc2nc(N)c(-c3ccc(OC)c(OC)c3)c(Cc3ccc(OC)c(OC)c3)n2)cc1OC 2132351 FBDMNTKWCITLIN-UHFFFAOYSA-N 531.609 4.959 0 40 KJAB biogenic COc1ccc(-c2nnc(SCC(=O)[C@@H](C#N)C(=O)NCc3ccccc3)n2-c2ccc(Cl)cc2)cc1 3376532 YXQZBYOGRYBEGA-HSZRJFAPSA-N 532.025 4.714 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1 5940342 ZAZINNHCIINWQH-UHFFFAOYSA-N 540.038 4.563 0 40 KJAB Cc1cccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N(Cc3cccs3)C[C@@H]3CCCO3)c(=O)[nH]c12 6444082 GBCLPBRXEJXPSY-WNCULLNHSA-N 544.656 4.843 0 40 KJAB COc1cc([C@H](C(=O)Nc2ccc3c(c2)OCO3)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc(OC)c1OC 8713025 RLIAZZFCOGDUSQ-WJOKGBTCSA-N 627.629 4.734 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 8749705 WRXBEAHGHKGDDV-QQMBNGEASA-N 628.703 4.513 0 40 KJAB COc1cccc([C@H]2CN3C(=O)CN(CCc4cccc(F)c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)c1OC 8789888 KAGTZIXLSKXVEJ-IPBJYNAHSA-N 527.596 4.598 0 40 KJAB biogenic COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(OC(F)F)cc1 12566169 AKNUVSKVEMZTSE-UHFFFAOYSA-N 515.852 4.790 0 40 KJAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)C(=O)Nc1ncc(Cl)cc1Cl 12616696 MWFVFAGVCMZVAZ-GFCCVEGCSA-N 512.346 4.512 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)c(OC)c1 13028770 DDAFWCUPHIFBTI-LJAQVGFWSA-N 527.625 4.672 0 40 KJAB CCCCN1C(=O)c2ccc(C(=O)OCC(=O)N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccco3)cc2C1=O 16044106 VPUUWDPRGBFHLZ-XMMPIXPASA-N 513.550 4.519 0 40 KJAB CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 19856558 DUUHRBAENOMTFV-UHFFFAOYSA-N 507.656 4.976 0 40 KJAB Cc1ccccc1[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)c1ccccc1 20047162 DVEWBIGDZPJXRH-URLMMPGGSA-N 512.631 4.998 0 40 KJAB COc1ccc(CN(C)C(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC 20495906 DSGYPTCUIFNCNR-UHFFFAOYSA-N 523.438 4.865 0 40 KJAB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(C)c3)cc2)CC1 21580008 CSLOSWPGQZTVLH-UHFFFAOYSA-N 523.058 4.746 0 40 KJAB Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 33355880 LJPFUSVZALODIC-JOCHJYFZSA-N 526.647 4.949 0 40 KJAB COc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2C)C(C)C)cc1 33634730 JHBOOPBAPJAADA-NRFANRHFSA-N 502.040 4.643 0 40 KJAB COc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 59444173 DEGIOGBMNBNPDB-UHFFFAOYSA-N 504.992 4.508 0 40 KJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 59883550 LTEFAUVTRRZDRS-UHFFFAOYSA-N 556.493 4.816 0 40 KJAB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(I)cc1 59952885 INCOVQZSQRUILH-UHFFFAOYSA-N 571.234 4.888 0 40 KJAB COc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(Cl)cc(C)cc43)[C@@]23C(=O)Nc2ccccc23)c1 70700901 YTSIUCGECJKHAA-BAAZAXTHSA-N 528.008 4.672 0 40 KJAB biogenic CCOC(=O)c1ccc(N/C=C2/C(=O)N(c3cccc(S(=O)(=O)N(CC)CC)c3)C(=O)c3ccccc32)cc1 97980496 ZSXVIDLMBTTYTL-LGUFXXKBSA-N 547.633 4.534 0 40 KJAB O=C(COC(=O)c1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)nc1)c1ccc(Br)cc1 98043332 KXNQQPDDJPNMQR-UHFFFAOYSA-N 561.182 4.686 0 40 KJAB Cc1cccc(N(C(=O)c2snc(C(=O)NC3CCCCC3)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)c1 100295307 GQTYOKLDYNXXET-NVQXNPDNSA-N 579.723 4.681 0 40 KJAB CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1 101082147 BJCWPAGBQNKERY-KUXCXQDQSA-N 506.558 4.627 0 40 KJAB CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC 102757453 HWJJTOQXICMKRM-ZONZVBGPSA-N 502.567 4.934 0 40 KJAB COC(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1 102777622 IIJGMNXENOBYHH-DEOSSOPVSA-N 597.715 4.745 0 40 KJAB COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 102869928 IQKRQHMQRDFVAH-ULNSLHSMSA-N 550.567 4.974 0 40 KJAB COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3ccc(-c4nc5ccc(C)cc5s4)cc3)C1=O)CC2 105930401 XOHBZWLCNYTEBR-QHCPKHFHSA-N 513.619 4.979 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@@H]1c1ccccc1 111465200 OPKIUSLXSSTGAB-LBLGWMPZSA-N 590.657 4.982 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 222435554 VSLDTKFVLQIJON-HHHXNRCGSA-N 581.735 4.540 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccc2c(c1)OCCO2 222542608 JRMAANLFBRREFM-HKBQPEDESA-N 649.810 4.712 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 222613527 DFJSOVGMMFGHGM-SANMLTNESA-N 569.699 4.670 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1 222716497 ZJGKSJFIBUACCF-DEOSSOPVSA-N 535.710 4.831 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 222805486 ARAAFTOHQKPTBI-MHZLTWQESA-N 551.709 4.531 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 222989232 KIKYPNWCJHBITI-JOCHJYFZSA-N 586.552 4.815 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 223007311 RVKGTBFPISMHEJ-JOCHJYFZSA-N 616.578 4.905 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223158537 DNGUTIBZRPVKTD-AREMUKBSSA-N 597.709 4.514 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 223428836 HQHNVYFWJIBMKS-QFIPXVFZSA-N 616.578 4.987 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 223614795 RDVQOAHJRXWWHU-MUUNZHRXSA-N 595.762 4.931 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223696200 OXYYRBSPTYJSCR-HHHXNRCGSA-N 529.747 4.882 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 223791114 PGXGLRCPQBAPEB-NRFANRHFSA-N 560.091 4.926 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 223848250 XSUTYEOUDDWTQW-FQEVSTJZSA-N 546.064 4.618 0 40 KJAB CCCc1ccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 224208786 CHYOWQPSPSXHEL-FQEVSTJZSA-N 513.487 4.683 0 40 KJAB O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NC[C@@H]1COc2ccccc2O1 225240787 IRKRZHRPQRJWPM-QGZVFWFLSA-N 540.947 4.510 0 40 KJAB 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CCOc1ccc(CCNc2cnn(C34C[C@@H]5CC(C[C@H](C5)C3)[C@H]4C(=O)O)c(=O)c2Cl)cc1OCC 245232064 OWSVDVMPSRNRIS-WLYMECHASA-N 516.038 4.585 0 40 KJAB CC(C)c1ccccc1OCCN1CCN(c2ncc(C(=O)O)c(COc3ccc(F)c(Cl)c3)n2)CC1 257234093 GSBIDPIXLDLGFZ-UHFFFAOYSA-N 529.012 4.871 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 260907825 XDUUKHHCBZZHLX-MUUNZHRXSA-N 570.155 4.833 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)c2cccc(C)c2)cc1 260926559 JVBIMJMNGRMOLK-XMMPIXPASA-N 553.700 4.827 0 40 KJAB Cc1cccc(C)c1N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 260949562 FCKPHTLIBWSESM-GDLZYMKVSA-N 579.738 4.907 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 260969644 MIKLMABUBGHZMX-ROUUACIJSA-N 562.054 4.765 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 260992427 QFBDSWPSEZHWJP-JPYJTQIMSA-N 600.565 4.990 0 40 KJAB 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Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3F)CC2)Cc2c(Cl)cccc2Cl)cc1 409004906 FZQWENICXRRLDI-UHFFFAOYSA-N 550.483 4.981 0 40 KJAB CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)cc(I)c3O)N(C)C2=S)cc1 409034938 IMXBVGAYQDVIOP-SXGWCWSVSA-N 559.223 4.762 0 40 KJAB CCOc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Cl)c1OCc1ccc(C)cc1 409090055 QBIYUGYEBQQJGJ-UHFFFAOYSA-N 631.176 4.751 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(OC)cc4)cc3)c(=O)n2[C@H]1c1ccccc1OC 409094117 CVOJPASGXWYJAZ-GJKZIJEQSA-N 597.737 4.700 0 40 KJAB COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(Br)c(Sc5nc(C)cc(O)n5)o4)c(=O)n32)c1 409099248 KJSJKXKWAFTMED-SNXNUMJZSA-N 657.568 4.506 0 40 KJAB COCCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)C1=O 409123189 AAHHONCZPZQFSD-WOJGMQOQSA-N 543.354 4.701 0 40 KJAB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)N(CC)CC)c4c(CC)cccc34)NC2=S)cc1 409128536 PHMQYVMDXHAALN-JLPGSUDCSA-N 504.656 4.733 0 40 KJAB CS(=O)(=O)CC[C@H](C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409178891 JMZAYUWTSHSIAM-JOCHJYFZSA-N 546.428 4.726 0 40 KJAB COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(Br)c(Cl)c2)C1=O 409198498 BJEPYRROBIDBKI-CNHKJKLMSA-N 541.807 4.803 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409276309 POTVBYJEEKMVHT-LQKURTRISA-N 585.682 4.951 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(Cl)cc3Cl)n2C)cc1 409358916 MAVXCQWGWZGRQL-CYBMUJFWSA-N 536.441 4.520 0 40 KJAB COC(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 409407949 BCHTXKHSMACEGK-UHFFFAOYSA-N 507.395 4.922 0 40 KJAB Cc1nn(C)c(C)c1CNC(=O)c1nn2c(c1Br)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 647313 ROGHPDNSMNRDTA-TZMCWYRMSA-N 517.375 4.648 0 40 KJAB COc1ccc(CN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)S(=O)(=O)c2cccc3nsnc23)cc1 924980 JPHWZSZMRZUCMX-UHFFFAOYSA-N 520.636 4.549 0 40 KJAB COC(=O)c1sc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c(C(=O)OC)c1C 1895060 CEAYPVQNYDIEDU-UHFFFAOYSA-N 583.713 5.000 0 40 KJAB COc1ccc(OC)c([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCc4ccc(Cl)cc4)CC(=O)N32)c1 2155822 UMXUPIHGDMDSGI-ABYGYWHVSA-N 530.024 4.766 0 40 KJAB biogenic O=C(/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)OCC(=O)c1ccc(Br)s1 2640293 OEOPVVKSWYCPHR-KPKJPENVSA-N 532.437 4.701 0 40 KJAB CCOC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(CC)cc2)c(=O)n3Cc2ccccc2Cl)C1 2689037 ISHVBTQSCAYWLI-UHFFFAOYSA-N 524.042 4.993 0 40 KJAB CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N(Cc1ccccc1)Cc1cccnc1 6077765 YEDDHQIUJTWAAN-MHZLTWQESA-N 537.624 4.575 0 40 KJAB COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)ccc3[nH]c2=O)N2CCC(Cc3ccccc3)CC2)cc1 6409322 XKKMFKJPRQKXBH-SSEXGKCCSA-N 534.664 4.924 0 40 KJAB Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N(Cc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c2c1 6410065 QUCIRPDWFFFXQB-GGXMVOPNSA-N 538.627 4.933 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1Cl 8438270 AMDGIKAMBIIENY-XSZPGNIMSA-N 519.022 4.614 0 40 KJAB COc1ccc(CCNC(=O)[C@@H](C)Sc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1OC 8846786 RGGODIDLDUHEBL-OAQYLSRUSA-N 516.667 4.909 0 40 KJAB COc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(OC)c(OC)c4)=NN3C(=O)CCCC(=O)O)cc2c1 8913910 APQOPXABMUTWNL-NRFANRHFSA-N 511.962 4.847 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(Cc1ccc(F)cc1)C(=O)CNC(=O)c1cccs1 12488392 SNCYRUAGNKYETK-RUZDIDTESA-N 525.646 4.701 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1)N(C(=O)CNC(=O)c1cccs1)c1ccccc1F 12488581 ZUZYGZLBGPUWDB-DEOSSOPVSA-N 511.619 4.705 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)CCC(=O)Nc1cc(C)on1)c1ccccc1F 12491157 MEQXDPCAAUONLL-AREMUKBSSA-N 524.593 4.929 0 40 KJAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)CSc3nnc(-c4ccccc4)o3)ccc2C)cc1 12546663 PZUSZFMCPKJLMA-UHFFFAOYSA-N 510.597 4.585 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1 12713859 VUVCOENPNMKIAV-MHZLTWQESA-N 517.605 4.654 0 40 KJAB COc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc(Nc4ccc(C)cc4)c4ccccc4n3)CC2)cc1 22052538 GFGNOVYVJZGBTL-OAQYLSRUSA-N 517.655 4.758 0 40 KJAB 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COc1ccc(/C=C/C(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2cccc(Br)c2)cc1 1100650 LAZMFZORZPNDKA-UDFXALJUSA-N 520.383 4.854 0 40 KJAB CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O 1374638 FKPFCALTLYWZDE-HSZRJFAPSA-N 518.618 4.551 0 40 KJAB COc1ccc(CC(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3ccc(-c4ccccc4)cc3)C2)cc1 4258899 JEXDKDFCKLAQMB-WNCULLNHSA-N 533.628 4.965 0 40 KJAB biogenic,in-vitro O=C(OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 4536424 SVVKRZQAFRVDED-RPWGJLQWSA-N 566.562 4.877 0 40 KJAB COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N(Cc1cccnc1)Cc1ccccc1Cl 6178059 KWKPVVCIGHALNY-HHHXNRCGSA-N 544.059 4.618 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)S(=O)(=O)c3cccc(C(C)=O)c3)cc2c1 6196648 LJESELYMFVXJJA-UHFFFAOYSA-N 504.608 4.563 0 40 KJAB CCOc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC 9234079 LPBQVHHYQJBSBM-VXLYETTFSA-N 505.390 4.840 0 40 KJAB COc1cccc(OCCCOc2c(Cl)cc(/C=c3\sc4nc5ccccc5n4c3=O)cc2OC)c1 9464496 VBUCTPZYONNFPY-IWIPYMOSSA-N 523.010 4.975 0 40 KJAB CCN(CC)S(=O)(=O)c1cc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)ccc1Cl 12531815 BQXBNZIYLZWWEE-QGZVFWFLSA-N 508.065 4.806 0 40 KJAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)OCC(=O)N(C1CCCCC1)C1CCCCC1 13148274 GVDLBUUXSXCUFT-HSZRJFAPSA-N 504.693 4.584 0 40 KJAB CCOCCCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(Br)cc3)ccc2s1 13584551 QXBOVPRMFZIRCW-UHFFFAOYSA-N 511.463 4.645 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)cc1 13678901 IQFYZHWXKRCUHG-UHFFFAOYSA-N 501.413 4.745 0 40 KJAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(Br)cc3)cc2)c1 20020997 GHOYPMYXPQDORX-MRXNPFEDSA-N 519.417 4.515 0 40 KJAB CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCc3cccs3)C2=S)cc1 22118553 PWPHWLGMIPDSPH-QHCPKHFHSA-N 509.653 4.729 0 40 KJAB CCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 33058578 VFFKMYFYIDGUAK-UHFFFAOYSA-N 521.042 4.969 0 40 KJAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl 36380247 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O=C(COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1Br)Nc1ccccc1 106758305 YSNLAGJBWZXDFS-STZFKDTASA-N 558.454 4.515 0 40 KJAB Cc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)S(=O)(=O)c2ccccc2)c1 112247388 XIJIHJIONJGRAI-UHFFFAOYSA-N 555.722 4.702 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 139739155 JXIISKFAKGFDBT-UHFFFAOYSA-N 536.075 4.732 0 40 KJAB CC[C@@H](Sc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1)OCO3)C(=O)NCc1cccnc1 150444862 CSQLANKFTUJNDL-MGBGTMOVSA-N 695.798 4.745 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)cc2Cl)cc1 216380157 MXRLNCSYERSSEX-UHFFFAOYSA-N 586.095 4.909 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 222466443 CGVHBNOSZIYAKS-LJQANCHMSA-N 548.492 4.660 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 222467704 DLGNYRNPIBZXKT-NEKDWFFYSA-N 671.813 4.647 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 222547870 JWWQMMILZCSUPX-QHCPKHFHSA-N 522.111 4.527 0 40 KJAB CCc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC)c(Br)c1 222577452 WQEHHJMTLJODHI-DEOSSOPVSA-N 527.434 4.916 0 40 KJAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21 222801325 IRDYVMUUKINWRV-PMERELPUSA-N 620.127 4.981 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 222847390 DGIJRLNSYXMDPQ-WJOKGBTCSA-N 585.726 4.585 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](CC)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 222862804 PQOKGJSXWUSAID-PMERELPUSA-N 595.762 4.930 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 222907675 SDRKWKWSJWWHKD-MHZLTWQESA-N 586.154 4.918 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 223209569 FDCQTSJGGUBJKI-RUZDIDTESA-N 529.747 4.880 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCOc1ccc(OC)cc1 223235342 FNILZIZTNKYLFR-RTBURBONSA-N 505.453 4.949 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 223303277 NALFSYBZKLEFRX-RUZDIDTESA-N 578.518 4.751 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 223519028 PLKSKRKCYUSMSK-AREMUKBSSA-N 620.997 4.953 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc4ccccc4c3)Oc3ccc(Cl)cc32)cc1 223624787 URXLJCUFGISFRC-MHZLTWQESA-N 537.037 4.953 0 40 KJAB CC(C)c1ccccc1OCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 223778844 PIVLUJZXXPPFJI-UHFFFAOYSA-N 513.487 4.854 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 223797610 GLPMEOFGPYROBW-VWLOTQADSA-N 577.747 4.983 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223893760 BONMOXIFOPJCPV-OAQYLSRUSA-N 602.551 4.597 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 224226904 YMNQPPOKKILIJS-SANMLTNESA-N 531.694 4.547 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)[C@@H](C)C(=O)NCC(C)C)c1 224439493 WJMKZZVJCIIQCZ-QFIPXVFZSA-N 632.179 4.751 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 224453738 KLIJZMDOGKSNMS-HSZRJFAPSA-N 550.508 4.856 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 224886661 VSAMAHCEWRSJOZ-KRWDZBQOSA-N 558.503 4.765 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 224945799 UDXMGYBQNZHXKX-NDEPHWFRSA-N 595.762 4.521 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 225079370 BFXPABLWZVPJJK-RUZDIDTESA-N 548.149 4.979 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 225150599 XMDNBENDGKBPFA-FCHUYYIVSA-N 602.153 4.885 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 225170890 SHEALWKSMXMYCA-DEOSSOPVSA-N 553.700 4.971 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1C 225211940 GDNRCZYCRASTEO-NRFANRHFSA-N 578.573 4.698 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 225228377 ZYXVWIJYRWBECT-LSDHHAIUSA-N 566.910 4.884 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 225291097 GRMBARRYSISOOE-NRFANRHFSA-N 548.920 4.746 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 225365120 FQKQPEHGGCEEIV-MUUNZHRXSA-N 565.736 4.841 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2cccc3cccc1c23 225411510 HVMQXRRWRBCJNO-LEWJYISDSA-N 501.627 4.921 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 225497486 UCQDWZGQRRGOOR-GDLZYMKVSA-N 567.727 4.765 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 225643675 CPEACJHOLBCEJQ-QGZVFWFLSA-N 546.492 4.621 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 225680767 STKBVNDBHBPIFK-DEOSSOPVSA-N 583.726 4.918 0 40 KJAB Cc1ccc(C)c(S(=O)(=O)N(CC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)Cc2ccccc2)c1 225935750 KKXRNKLDRLEHLU-HKBQPEDESA-N 597.737 4.647 0 40 KJAB COc1ccc(N(CC(=O)NCc2cccc3ccccc23)S(=O)(=O)c2cc(C)ccc2OC)cc1 226056722 PFEKTJYFRJXTEF-UHFFFAOYSA-N 504.608 4.677 0 40 KJAB COc1ccc(-c2nn(-c3ccccc3)cc2C=c2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 254488158 GDHWWXJHPHTOGA-MXEMKJPTSA-N 503.587 4.730 0 40 KJAB CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC[C@@H]1Oc1ccc(F)cc1 257294080 QSIIAPDJGJVDOD-OFVILXPXSA-N 506.622 4.805 0 40 KJAB CC(C)Oc1ccccc1CN(CC(=O)O)C(=O)[C@@H]1OCC(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccccc1 257309027 TZGHDPBJGVTLIQ-FQLXRVMXSA-N 551.039 4.709 0 40 KJAB COc1ccc(S(=O)(=O)N2CCC[C@](COc3ccccc3)(CC(=O)N(C)Cc3ccccc3)C2)cc1 257338879 YZGOYSDRSPLPHU-LJAQVGFWSA-N 522.667 4.594 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)cc1C 260745346 BQWNNDHRERNDGW-RUZDIDTESA-N 547.721 4.975 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)cc1 260747455 AHRPPKPWVYOEOR-GOSISDBHSA-N 604.091 5.000 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1 260795091 OSYQNHZDZQKEDZ-GOSISDBHSA-N 540.513 4.544 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)cc1 260797981 OJKCMRBGPRYNEG-LJQANCHMSA-N 554.540 4.934 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@H](CC)C(=O)NC)S(=O)(=O)c2ccc(Br)cc2)cc1 260863013 UNMVGVRUYQXINI-HHHXNRCGSA-N 632.577 4.605 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 260882155 IMOVCQTXBOOACU-HSZRJFAPSA-N 553.700 4.773 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)cc1 260890692 LIOHQKULSAJZKP-RUZDIDTESA-N 565.736 4.697 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c2cc(Cl)ccc2OC)cc1OC 260904840 FEMRCYHNUYJZPO-OAQYLSRUSA-N 632.179 4.893 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 260904948 FGPUSHYZPIZXAQ-MOPGFXCFSA-N 572.555 4.880 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O 260911962 QXMXPTYQEAUXHA-GOSISDBHSA-N 542.529 4.511 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C 260929417 WFOUSCKKNJULQR-JOCHJYFZSA-N 536.138 4.693 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 261016100 VGVCKCCOWHOHBX-YADHBBJMSA-N 616.578 4.985 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 261042901 YYIAYVICTBKEJW-HOTGVXAUSA-N 593.371 4.854 0 40 KJAB Cc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 261098962 VPXRDSVWUFMPQJ-QGZVFWFLSA-N 572.953 4.509 0 40 KJAB CC[C@@H]1OC(=O)[C@](C)(F)C(=O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(OC)C[C@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cc(-c4cccc(N)c4)nn3)C(=O)O[C@]12C 306122917 IXXFZUPTQVDPPK-XYQRSMBLSA-N 845.023 4.604 0 40 KJAB CC(=O)Nc1cccc(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1 408612550 SKVKFTSYQBKOML-UHFFFAOYSA-N 506.411 4.781 0 40 KJAB CCOC(=O)c1c(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)sc2c1CCC2 408616794 CCJBDAAKMRXRCV-UHFFFAOYSA-N 512.653 4.940 0 40 KJAB CS(=O)(=O)N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408626055 KSPRXQPMRKVFGP-VMPITWQZSA-N 547.765 4.778 0 40 KJAB COc1cccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c1 408630069 MZVDGNOLSOELKF-UHFFFAOYSA-N 603.697 4.519 0 40 KJAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)ccc1N1C(=O)[C@H]2C[C@H](C)CC[C@H]2C1=O 408667012 PVNSDABVEDDRFE-SKBHOOIQSA-N 509.002 4.841 0 40 KJAB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)cc2)c1 408680567 HZMQNBMSUKZVCN-LYBMHKGZSA-N 588.616 4.896 0 40 KJAB CCc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408688736 XGKKSTOKJBHBPZ-GYHIUYGSSA-N 536.628 4.648 0 40 KJAB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H](c6ccccc6)[C@@H](C5)[C@H]4C3=O)cc2)c1 408689627 SIUVKKXYGHOQDK-LQEOGBTJSA-N 508.574 4.720 0 40 KJAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)CC2)cc1 408695184 MMRCQTLGESKZAH-UHFFFAOYSA-N 549.762 4.743 0 40 KJAB O=C(NCCSCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 408695242 PDOIIAHWBLDEOD-UHFFFAOYSA-N 519.491 4.724 0 40 KJAB CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1C(=O)N1CCCC1 408714593 IFEILWPOCVUBEH-UHFFFAOYSA-N 559.735 4.863 0 40 KJAB CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1Br 408801741 VNPZBXBLDLTZCT-KUAKTGBJSA-N 665.537 4.779 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cccs2)n2c(s/c(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)c2=O)=N1 408830714 SOBWIELAXXXGDO-CMISJSSVSA-N 588.707 4.917 0 40 KJAB CC(C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 409027059 VQJJJQUQBZEQNO-UHFFFAOYSA-N 520.438 4.966 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCc5cccc(C(=O)O)c5)c(OC)c4)c(=O)n32)cc1 409038807 FREQUSSRAOSYPQ-MRWVFDTMSA-N 642.730 4.871 0 40 KJAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)C1=O 409075324 QURYWCYYMQXNGS-DTQASYIRSA-N 510.351 4.868 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4F)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC 409096386 KENKPYYKLTZTMS-OGMUYLFESA-N 615.727 4.839 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc(I)c1OCC 409165081 SCURHPRCEXWENZ-XDHOZWIPSA-N 582.416 4.772 0 40 KJAB COC(=O)c1cc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)ccc1Cl 409259994 IXCKJGQNMDUPIX-UHFFFAOYSA-N 537.819 4.723 0 40 KJAB Cn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1ccc(Br)cc1F 409353597 NYRUOSIZYYZXOR-UHFFFAOYSA-N 547.237 4.936 0 40 KJAB COc1cccc(CCc2nc(N3CCc4ccccc4C3)ncc2C(=O)NS(=O)(=O)c2ccccc2Cl)c1 585265819 VHVTXLSLTVETDS-UHFFFAOYSA-N 563.079 4.605 0 40 KJAB O=C(NCc1ccccc1)[C@@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 931950 FMXRDIIMFWKYKR-GDLZYMKVSA-N 525.559 4.796 0 40 KJAB COc1cccc([C@H]2C3=C(N=c4s/c(=C\c5cc(Br)ccc5O)c(=O)n42)c2ccccc2CC3)c1 2194706 LXFJBMSVNYCNNA-RISWYLRJSA-N 545.458 4.795 0 40 KJAB O=C(COC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)c1ccccc1 3244232 BFLYIANGBWRTGC-LJAQVGFWSA-N 568.651 4.778 0 40 KJAB O=S(=O)(c1ccc(Cl)cc1)N1CCC(c2nnc(S)n2-c2cccc(C(F)(F)F)c2)CC1 8782155 NTOAMTRHKHZTIY-UHFFFAOYSA-N 502.971 4.797 0 40 KJAB CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)nc1-c1ccccc1 8872446 NSABXUCQUIQASK-UHFFFAOYSA-N 547.658 4.986 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(-c2cs/c(=N\c3ccc(OC)cc3)n2Cc2cccnc2)cc1 9293536 JJEUTLOHBUMRBV-SGEDCAFJSA-N 508.669 4.931 0 40 KJAB COc1ccc(N(CCCC(=O)NCCSCc2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl 10369796 CVVMYFABZRHORE-UHFFFAOYSA-N 505.489 4.598 0 40 KJAB CC(C)c1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccc3c(c2)OCO3)C(=O)CNC(=O)c2ccco2)cc1 12484351 IWSBTOVQVZUHNI-HHHXNRCGSA-N 533.625 4.546 0 40 KJAB C[C@]1(C2=NO[C@@H](CNc3ncc(C(F)(F)F)cc3Cl)C2)NC(=O)N(c2ncc(C(F)(F)F)cc2Cl)N1 12856947 HNRFWQUBLBZFJG-QGHHPUGFSA-N 558.270 4.828 0 40 KJAB CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(Cc3ccc(F)cc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 12873497 PQDHLJDHVAXYRF-FWUCURJTSA-N 527.596 4.946 0 40 KJAB biogenic CCC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O 13500727 OLMCQUFDKRSOEX-QHCPKHFHSA-N 502.619 4.850 0 40 KJAB O=C1/C(=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)c2ccccc2N1Cc1ccc(Cl)cc1 13510683 NHCFMXKUFSZKLY-MRCUWXFGSA-N 505.386 4.590 0 40 KJAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 19932260 VZIXMORVJHLXEZ-UHFFFAOYSA-N 500.642 4.805 0 40 KJAB COc1ccc(C)cc1N(CC(=O)NCCSCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 20234350 VMBFSZZSDMBZMH-UHFFFAOYSA-N 519.088 4.902 0 40 KJAB CCOC(=O)c1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2cc(C)ccc2OC)cc1 20617456 MYVKBXDNXAWLIO-IKPAITLHSA-N 501.539 4.607 0 40 KJAB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3C)cc2)CC1 21580005 BIRQBSVGASLLIL-UHFFFAOYSA-N 523.058 4.746 0 40 KJAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1 26963413 NMAZIMALCCCPBS-UHFFFAOYSA-N 520.365 4.559 0 40 KJAB O=C(O)[C@H]1CCCN1C(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc(Cl)c3)N2C1=O 38139962 OPUJUXSZNVCDHY-OBDYRVMHSA-N 569.017 4.993 0 40 KJAB biogenic Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 59852874 QXCYJEIHGNQRTP-UHFFFAOYSA-N 528.439 4.726 0 40 KJAB C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)/C=C\c2ccc(O)cc2)[C@H](O)[C@H]1OC(=O)/C=C\c1ccc(O)cc1 85648732 KMOHJUXDKSMQOG-CPUVFPGGSA-N 724.671 4.723 0 40 KJAB biogenic,in-vitro CN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(C(C)(C)C)cc1)CC2)[C@H]1CCS(=O)(=O)C1 97979817 MRTNIRUUKBEXOQ-WTKRLXQWSA-N 546.689 4.821 0 40 KJAB CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1 102758801 DQBHENFMJQEKBL-ONBPZOJHSA-N 518.566 4.552 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4c(C)cc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)c(OC)c1 103528768 RGOIEQIXJJUYKS-SDDLEPOWSA-N 558.034 4.680 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1 103881863 QOZBBIDWHUQURP-UAMLYEQYSA-N 581.669 4.949 0 40 KJAB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3cc(I)ccc3Cl)cc2)CC1 105353585 LWRIMJKSPRZWDR-UHFFFAOYSA-N 525.818 4.892 0 40 KJAB COc1ccc(N(CC(=O)NCc2ccc(CN3CCCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 139872010 ZQUSZQSBKLXSSF-UHFFFAOYSA-N 551.709 4.510 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 222460904 CCUVBPQYXNHDPO-UZUQRXQVSA-N 592.080 4.856 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 222506205 QPGLHIXEBGDMEF-FUFSCUOVSA-N 565.736 4.921 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 222735917 FYBBVDOZGUIUNF-QFIPXVFZSA-N 586.538 4.600 0 40 KJAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21 222801246 HIZKNQUQWKJBKU-GDLZYMKVSA-N 606.100 4.939 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 222860909 KYNXXKRWGZOKMI-WJOKGBTCSA-N 636.170 4.939 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 222861774 ARAGMUBJZUYZBW-MUUNZHRXSA-N 647.611 4.613 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 223070506 VSOXUYHHTFSXJI-HHHXNRCGSA-N 535.710 4.669 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 223193895 DRKYDVYQXDEKAO-ZWKOTPCHSA-N 588.515 4.606 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 223278582 OJXANROZBGMMFA-NEKDWFFYSA-N 570.155 4.969 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 223427340 ODRKTVIGARRJNN-AREMUKBSSA-N 602.551 4.515 0 40 KJAB 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502.055 4.968 0 40 KJAB CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)COc2ccc(F)cc2)CC[C@@H]1Oc1ccc(F)cc1 257313593 UTHQTLJZRGDVHI-CUNXSJBXSA-N 508.565 4.688 0 40 KJAB CCOc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(Cl)cc1 260777281 YZXXVHZKMGEKLM-HSZRJFAPSA-N 586.154 4.918 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c1 260950220 SBWUHDPPMDVKDE-GDLZYMKVSA-N 567.727 4.621 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 260967082 LUJDNEIXPPRTHQ-SQHAQQRYSA-N 565.736 4.921 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 260982136 OIAVAWIJQSZCKL-UXHICEINSA-N 571.662 4.592 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 261005427 QTIVJJQALORJSI-GOSISDBHSA-N 570.539 4.634 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 261032105 XGQFPEKGVUDRMF-HHHXNRCGSA-N 630.605 4.779 0 40 KJAB 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Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)c1 22246537 LODAHERTAPGOKX-SANMLTNESA-N 526.102 4.504 0 40 KJAB COc1cc(C(=O)N[C@H](C)CCc2ccccc2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC 22254699 NHLXEEZUNQQMSO-LJQANCHMSA-N 514.619 4.560 0 40 KJAB Cc1ccc(S(=O)(=O)[C@H](NC(=O)COc2ccc(Cl)cc2Cl)C(Cl)(Cl)Cl)cc1 26571574 YALSQXZGLAMKRL-INIZCTEOSA-N 505.634 4.967 0 40 KJAB COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)N2CCCCC2)cc1 33026003 KQMSJWDYXLDNDA-SANMLTNESA-N 511.619 4.592 0 40 KJAB O=C(c1ccc2c(=O)n(-c3ccc(F)cc3)c(SCc3ccccc3Cl)nc2c1)N1CCOCC1 33077893 KGOYTBQDINBGCV-UHFFFAOYSA-N 509.990 4.943 0 40 KJAB O=C(NCCCN1CCOCC1)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(Cl)c3)N2C1=O 38139950 BNZPDENCVXRJMM-MFMCTBQISA-N 598.103 4.756 0 40 KJAB biogenic COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1Cl 59834387 YMERKIGODABHHQ-HXUWFJFHSA-N 527.857 4.861 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccccc3)cc2)cc1 59885571 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KDJWEFDHVUUZSM-RUZDIDTESA-N 532.988 4.850 0 40 KJAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 103024871 XHJIRKCZTQGYGG-UHFFFAOYSA-N 541.072 4.580 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1OC 104923388 DBBXXMBNWWLJOX-SQQLRZTMSA-N 627.763 4.550 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1[C@@H](CCSC)NC(=O)c1ccc(OC)cc1 106289067 MUHDXIRLUNYLAR-HXUWFJFHSA-N 534.107 4.915 0 40 KJAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)cc1C 108290064 QRGCISHDLMCNRS-SFHVURJKSA-N 536.075 4.551 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 113935791 MDWXVVFAOCBILG-UHFFFAOYSA-N 528.627 4.678 0 40 KJAB CCN(c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1)S(=O)(=O)c1ccc(SC)cc1 215899210 CLEDXNNSSVXDEP-UHFFFAOYSA-N 589.761 4.669 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)c2ccccc2)cc1 222683065 HJCBVAKOEFAZDB-DEOSSOPVSA-N 535.710 4.831 0 40 KJAB 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CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 223264353 KTZBYNJMSXFILV-GDLZYMKVSA-N 549.737 4.626 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 223303229 XSLLGIAMKCNHLM-IBGZPJMESA-N 542.529 4.710 0 40 KJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 223539106 KRDXNCWRHJBPFT-QHCPKHFHSA-N 586.154 4.920 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 223565324 INLPKLHDJVBUML-MUUNZHRXSA-N 535.710 4.914 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223614419 BBIULYCZWJUBIV-LJAQVGFWSA-N 565.736 4.923 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223631500 SZTHRJMPMJMOQC-NEKDWFFYSA-N 628.191 4.822 0 40 KJAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2Br)o1 223670314 JKTRALNXBRILFA-SFTDATJTSA-N 504.381 4.779 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O)[C@@H](C)C(=O)NC1CCCC1 223775668 MNMWALWAARJIBS-SFHVURJKSA-N 540.513 4.544 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223934394 ATXPYTZTEFLBQL-UQBPGWFLSA-N 602.540 4.693 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)[C@@H](C)C(=O)NC2CCCC2)c1 224027023 IPUFGRDGPOBSRU-DEOSSOPVSA-N 623.772 4.692 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 224084374 UMMJTOPCFNIGDW-VWLOTQADSA-N 565.736 4.779 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1cc(OC)cc(OC)c1 224231877 SEPLTCVSLZVVJP-MHZLTWQESA-N 525.045 4.902 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 224338574 GRIGJDLPZFTDAJ-VWLOTQADSA-N 534.122 4.589 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224410494 KXCKBQWHDTULSN-FQEVSTJZSA-N 568.445 4.722 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224558941 ZIQXXTYCHZDYFF-SANMLTNESA-N 634.582 4.697 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 224852629 FJFPNZJTKSUYQG-NRFANRHFSA-N 560.091 4.926 0 40 KJAB Cc1ccc(OCCNC(=O)CCCN(c2ccc(Cl)cc2C(F)(F)F)S(C)(=O)=O)cc1C 224921087 OKKDIIBBOSROSH-UHFFFAOYSA-N 506.974 4.717 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 224973229 UASBRRPRDGZJTK-LJQANCHMSA-N 542.529 4.792 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224991530 BYTKGQAOOCIGBD-NRFANRHFSA-N 648.178 4.513 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 224994055 LMPZORAUFVILBI-HSZRJFAPSA-N 541.758 4.659 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 225048295 LJHPTIFRCAKVRT-AREMUKBSSA-N 548.149 4.979 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 225075722 AGFUMMIXFWWWOD-SANMLTNESA-N 551.709 4.614 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c1ccccc1 225099335 LODRJKRKSCZJQP-DQEYMECFSA-N 565.736 4.921 0 40 KJAB CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccccc2OC)S(=O)(=O)c2ccc(Br)cc2)cc1 225115464 YRZQKTFGRDQRTD-SFHVURJKSA-N 547.471 4.929 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1CC)S(C)(=O)=O 225297520 KKENRKIMWWYEEN-PMERELPUSA-N 563.764 4.880 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 225323312 AFXBSABIZQMPLL-MUUNZHRXSA-N 570.155 4.971 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225362920 SBCIDQIXCKYAOW-VWLOTQADSA-N 567.674 4.770 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 225431043 RIRBSWMUBOATFO-LOSJGSFVSA-N 595.762 4.582 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 225497670 PZSLDMPWOCGREZ-FUFSCUOVSA-N 565.736 4.921 0 40 KJAB COc1ccc(Cl)cc1NC(=O)Cn1nc(Nc2cccc(F)c2)c(S(=O)(=O)c2ccc(C)cc2)c1N 252489833 KBTKQTFNYPUSMU-UHFFFAOYSA-N 544.008 4.790 0 40 KJAB 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=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 254047145 VOZIAWLUULBIPN-WMKNSKLVSA-N 542.713 4.924 0 40 KJAB biogenic CC[C@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)c2cc(Cl)ccc2O1)c1ccc(OC)c(C)c1 260772880 XEWSRUFVNCYBQY-BKMJKUGQSA-N 545.057 4.889 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1 260821662 YKHUHYGIFROWJM-HSZRJFAPSA-N 565.736 4.785 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccc(F)cc2)cc1 260861041 BJBALSITUPEBRU-XZOQPEGZSA-N 569.699 4.752 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)N[C@@H](C)CC)c2ccc(C)cc2)cc1 260890472 KYXJCMIIPOJYIA-LOSJGSFVSA-N 565.736 4.921 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccc(F)cc2)cc1 260999133 RIHKAJKKIGYOMJ-XZOQPEGZSA-N 599.725 4.760 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 261011242 UJNOICAYNQVJHQ-RPWUZVMVSA-N 581.735 4.540 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 261048539 LNDGNPYOLYERLR-FIPFOOKPSA-N 629.621 4.617 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 261086668 SEKWNCXAUBHNGU-YADHBBJMSA-N 602.153 4.885 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(Br)cc1OCc1ccccc1F 408550419 HCRVVWVLUIAZNP-SRZZPIQSSA-N 549.418 4.835 0 40 KJAB O=C(CSc1nnc(-c2ccccn2)o1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 408583518 VJLHMAVGCVFOHJ-UHFFFAOYSA-N 505.625 4.733 0 40 KJAB CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1 408660238 NCXINRCUHJUTPN-KRWDZBQOSA-N 521.397 4.875 0 40 KJAB 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0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 222505796 YQGACOWHSJNQCR-SSEXGKCCSA-N 633.742 4.733 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 222638616 WHGUHQPYHZOEKH-LJQANCHMSA-N 548.492 4.660 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c2ccc(C)c(Cl)c2)cc1 222665533 UUJLGDJCGSWXGW-IBGZPJMESA-N 515.031 4.801 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 222787935 LTXTVSYAOSNHOP-NRFANRHFSA-N 542.101 4.867 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 222937748 IZHLYBQIGIRISU-SFHVURJKSA-N 542.529 4.726 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 223004487 HXGZNZHIKYAXRP-DEOSSOPVSA-N 551.709 4.533 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 223012950 SJUXXLVXLIJAQS-SSEXGKCCSA-N 589.689 4.782 0 40 KJAB 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0 40 KJAB O=C(CCCCCO)Oc1ccc(-c2coc3cc(OC(=O)CCCCCO)cc(OC(=O)CCCCCO)c3c2=O)cc1 2060990648 PQMQKFXYOHLBBS-UHFFFAOYSA-N 612.672 4.834 0 40 KJAB O=C(NC1CCCCC1)[C@@H](c1ccccn1)N(C(=O)Cn1nnc(-c2ccccc2)n1)c1ccc(F)c(Cl)c1 905813 HJNZVTXBXINPDC-AREMUKBSSA-N 548.022 4.751 0 40 KJAB CC(C)OC(=O)c1ccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)cc1 959953 FVYXDDVFLYFVDN-UHFFFAOYSA-N 517.969 4.935 0 40 KJAB CN(C)c1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)N(Cc2cccnc2)C(=O)Cn2nnc3ccccc32)cc1 1419046 IFWANXHXPKKWRC-LJAQVGFWSA-N 554.054 4.955 0 40 KJAB COc1ccc(NC(=O)COC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)c(OC)c1 3241049 WQSCCOSYZSBLCO-UHFFFAOYSA-N 532.549 4.740 0 40 KJAB Cc1ccc(NC(=O)O[C@@H]2CC[C@@]3(C)[C@H](CC(=O)NCc4ccccc4)[C@H](O)CC[C@@H]3[C@]2(C)CO)cc1 4236713 ZLUSTSIXCTWHTL-AECPDVIXSA-N 508.659 4.804 0 40 KJAB biogenic,in-vitro CCN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1)C[C@@H](C)C2)[C@@H]1CCS(=O)(=O)C1 8685455 VWJLEGWEWJTIFP-WXRIWMHGSA-N 532.662 4.550 0 40 KJAB 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CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nc(O)c4nnn(Cc5cccc(Cl)c5)c4n3)C2)cc1 150374740 NNIXKXFKYXAYMZ-QFIPXVFZSA-N 674.249 4.540 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 222569214 FHGACWJBJIHJCK-LBNVMWSVSA-N 549.737 4.955 0 40 KJAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1 222669936 HOPNZGAAWIQINB-UHFFFAOYSA-N 626.156 4.930 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](CC)C(=O)NC(C)C)c2ccc(C)cc2)cc1 222823496 BGQWHTARKOZYSY-PMERELPUSA-N 595.762 4.930 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3C[C@H](C(=O)NCCc4ccccc4)Oc4ccccc43)cc2)cc1 222875731 BGBSBLJPILNMHJ-WJOKGBTCSA-N 583.710 4.882 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 222947882 ZBTOEWPQKMGMLE-FQEVSTJZSA-N 546.064 4.536 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 222983731 TZORAJUDSDHCTP-AREMUKBSSA-N 616.567 4.940 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223111282 GYLDLYAPRJOTGU-JGCGQSQUSA-N 599.753 4.808 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 223140385 GXKXQEMYLLEGJM-AREMUKBSSA-N 539.673 4.743 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 223255352 PVYXYHVMRCIJSL-RUZDIDTESA-N 529.747 4.880 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223286820 JWNUZSKKVKOORP-JOCHJYFZSA-N 541.636 4.502 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 223429041 DNJLADGJSPXAJW-SANMLTNESA-N 572.127 4.714 0 40 KJAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 223468215 QXIQNYACCDVBRU-RUZDIDTESA-N 562.519 4.785 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 223586129 LUPKSNDMDQIWIP-HHHXNRCGSA-N 581.735 4.623 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 223624765 JDAIDADRWCBWNT-AREMUKBSSA-N 609.551 4.522 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223635160 FHQPFHBJZMKGCI-NDEPHWFRSA-N 611.736 4.824 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 223727978 HDWYXEFTZDXBMF-IADCTJSHSA-N 583.726 4.545 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 223750618 FMQRVSOCWHVESK-SANMLTNESA-N 626.097 4.910 0 40 KJAB O=C(O)c1cc(C(=O)O)cc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)c1 223874920 XUTGWEHPPODREP-PKTZIBPZSA-N 501.520 4.621 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 223957417 PRIYEEJQYTVELN-SFHVURJKSA-N 554.540 4.798 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 223985209 XALXSIJRZROWFZ-OAQYLSRUSA-N 632.577 4.523 0 40 KJAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 224062801 HSPLNAYQSBLLLY-HSZRJFAPSA-N 556.128 4.748 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 224159166 LWAZDMCJNJWOBC-HHHXNRCGSA-N 535.710 4.751 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN1C(=O)c2ccccc2C1=O)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 224217839 XYFWNLSNVUYVEU-MUUNZHRXSA-N 539.676 4.926 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224316991 KJUWCGMABCEIDO-DEOSSOPVSA-N 546.064 4.618 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 224405953 ARYHUGDMESEDCY-AREMUKBSSA-N 665.569 4.751 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 224475796 QXWFRKAQTFHCNK-SANMLTNESA-N 606.572 4.934 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Cl)cc1 224534346 JMNDMEAYUCTEBJ-NDEPHWFRSA-N 602.153 4.886 0 40 KJAB COc1ccc(CNC(=O)c2ccc(CN(c3cc(Cl)cc(Cl)c3)S(C)(=O)=O)cc2)cc1OC 224737867 QUIKEZMTOQAKIC-UHFFFAOYSA-N 523.438 4.907 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 224911962 COQKQCZQWKITIW-IBGZPJMESA-N 554.540 4.934 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 225048156 IHYWUQFQYNILBQ-VWLOTQADSA-N 548.149 4.979 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCSCc1ccc(Cl)cc1Cl 225113661 YENZUUPQNRYJSQ-UHFFFAOYSA-N 531.527 4.769 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c2ccc(F)cc2)cc1OC 225144063 STPUJKZEGXFSAK-UHFFFAOYSA-N 559.641 4.634 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 225175087 WZYGVMGEPLWNIJ-DEOSSOPVSA-N 553.700 4.971 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 225307957 LVIOFBGLISVMMR-RBUKOAKNSA-N 572.555 4.880 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 225319057 RUDSNZSXCCFXEQ-JOCHJYFZSA-N 542.529 4.710 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 225353904 FNEMJQFLJJANJY-FGZHOGPDSA-N 602.153 4.885 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 225521190 GXGLYBMYVVUGIO-RPLLCQBOSA-N 529.747 4.880 0 40 KJAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)n1-c1cccnc1 225609190 LEHWKLFYAJMRBJ-CLJLJLNGSA-N 500.603 4.716 0 40 KJAB CCOC(=O)Cc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 226042825 IJTIAJMNEYJFHG-UHFFFAOYSA-N 500.661 4.680 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 260801697 QKDPEQJVZVAZEK-HSZRJFAPSA-N 551.684 4.806 0 40 KJAB O=C(NCCc1ccccc1)[C@H]1CN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 260822961 DCYAJQSYTBZIBV-WJOKGBTCSA-N 618.155 4.727 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 260828979 ZWGLWTDBWXFCHO-XMMPIXPASA-N 623.772 4.692 0 40 KJAB Cc1ccccc1N(CCCC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 260854875 FZAHZDYWKQBZLP-GDLZYMKVSA-N 567.727 4.845 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)c1 260865964 CYCDXGSFUSKGFV-HSZRJFAPSA-N 569.699 4.528 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2cccc(OC)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 260904820 VUNRZOSWCPLGGT-WJOKGBTCSA-N 593.790 4.969 0 40 KJAB CC(C)c1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 260968388 MDFMHJVMYFDUDL-LJQANCHMSA-N 522.111 4.561 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccccc1 260969046 ISAQKEJNACGODJ-MUUNZHRXSA-N 612.590 4.914 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc(F)cc1 260984284 LTVBQLMONLJUNJ-MUUNZHRXSA-N 586.129 4.944 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 260984918 OSEUYMSIPVBQIZ-XMMPIXPASA-N 565.736 4.921 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 260990204 CNXDRCMPAWVILO-NGQVCNFZSA-N 597.753 4.935 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 260999896 RMABPMBJLFWMEC-IRPSRAIASA-N 609.789 4.972 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 261007357 SXJPJTWBFOORHJ-HOTGVXAUSA-N 578.946 4.753 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 261030061 XCPBRRCDBXXHFT-HHHXNRCGSA-N 630.605 4.779 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 261085703 SBXFOCXUMXTBQZ-MOPGFXCFSA-N 586.980 4.981 0 40 KJAB COc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1OC 408543560 FGZNCJIFLOIKGS-UHFFFAOYSA-N 503.020 4.747 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)N1CCCCCC1 408592981 LIBPROHHTRVBEV-UHFFFAOYSA-N 510.582 4.624 0 40 KJAB CCOc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408668371 WKFJPARFSSYKPM-QULSYZCUSA-N 521.400 4.617 0 40 KJAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@@H]4CC(=O)N(c5cccc(Cl)c5Cl)C4)c3)C(=O)[C@H]21 408672685 VVXAIMQZIZFCJJ-CABRAYNUSA-N 513.377 4.654 0 40 KJAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@H]4CC(=O)N(c5cccc(Cl)c5Cl)C4)cc3)C(=O)[C@@H]21 408673701 XPFZHBYJEULXGK-ORENWSFKSA-N 513.377 4.654 0 40 KJAB CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1Br 408916156 VIIBNMPLMJEFIH-KROVIPFCSA-N 653.576 4.702 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC)c(OC)c3)c(=O)n2[C@@H]1c1cccc2ccccc12 408918009 FAIPKMIHBCXRDZ-GTWFGUSFSA-N 654.526 4.963 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4c(OC(C)C)ccc5ccccc45)c(=O)n32)cc1OCC 408956699 ZKCOYLNJYRDPLG-TWIDMGDKSA-N 572.683 4.756 0 40 KJAB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N[C@H]1c1cc(OC)c(OC)c(OC)c1 408993917 XMCIPGIBHAEVLI-QHCPKHFHSA-N 548.061 4.884 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCC(C)C)cc3)c(=O)n2[C@H]1c1ccccc1 409022806 TZPYYOXWRRGUCK-HMXFMCBNSA-N 538.669 4.970 0 40 KJAB COc1ccc(N(CC(=O)NCCSCc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 409027516 JOTFYYRITDGRKI-UHFFFAOYSA-N 523.051 4.733 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cn(C)c4ccccc34)c2=O)=N1 409035093 PCPUQTHQBFUCPM-JAYSWQADSA-N 550.080 4.732 0 40 KJAB CCOc1cc(Br)c(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=S)N2CC(=O)OC)cc1OC 409075189 XEHDVINITPWNKR-ODLFYWEKSA-N 533.444 4.566 0 40 KJAB COc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 409077475 FNKGONCYDWFJOI-UHFFFAOYSA-N 523.836 4.941 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409088777 GXGPAMPEMVFMEM-YLVTVWEBSA-N 683.362 4.573 0 40 KJAB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(NC(C)=O)cc3)C2=O)ccc1Cl 409153443 IAVHAVQVZNOYGO-JAIQZWGSSA-N 515.975 4.540 0 40 KJAB CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)OCC)c4)o3)c(=O)n21 409160479 YSTBJKJEZTWILV-IAOUMNOZSA-N 586.666 4.634 0 40 KJAB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1 409240673 UVLOMJGTCAFSFD-CIAFOILYSA-N 584.366 4.670 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c2cccc(Cl)c2)cc1 409312769 NLDPISZKFBFUMW-UHFFFAOYSA-N 592.139 4.747 0 40 KJAB CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc1OC 409328949 AYCLIFRGZPBIEZ-ZDLGFXPLSA-N 583.844 4.728 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc(Br)c1O 409347741 RACUOPIMGLUXTD-VCHYOVAHSA-N 505.390 4.962 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1OC(F)F 409365474 ZQAAYMYXIFBUCL-NVNXTCNLSA-N 502.417 4.779 0 40 KJAB CC(=O)Nc1c(I)c(C(=O)OCC2CC2)c(I)c(C(=O)OCC2CC2)c1I 1889252043 PGFFNHXNBOZNKY-UHFFFAOYSA-N 709.056 4.592 0 40 KJAB COc1ccccc1CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc(Br)c2)C1=O 2118726 RGUOGEKUHGXWCM-HOFKKMOUSA-N 530.422 4.824 0 40 KJAB biogenic CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1 3273649 LKBISERCWSCDEP-UHFFFAOYSA-N 530.444 4.782 0 40 KJAB O=C1[C@H]2N=NN(CC(=O)N3N=C(c4ccc(Br)cc4)C[C@H]3c3ccccc3)[C@H]2C(=O)N1c1cccc(Br)c1 8454912 JZYYICPGIGFNHW-ZKMPZPQNSA-N 636.304 4.883 0 40 KJAB CCOC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2cccc(OC)c2)c1 9288095 BDCOYUVVGGTLKL-RUZDIDTESA-N 515.566 4.547 0 40 KJAB Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccccc1C(=O)NC1CCCCC1)S(C)(=O)=O 10333030 OEHVCKKGQSVVKH-UHFFFAOYSA-N 506.068 4.896 0 40 KJAB COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccc(Cl)cc2)cc1 12417828 ANBBKHGPRCATMF-QFIPXVFZSA-N 507.999 4.658 0 40 KJAB COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)cc1OC 13026406 PLZLYTGPWYVGCY-AREMUKBSSA-N 506.555 4.515 0 40 KJAB Cc1ccccc1CCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1ccsc1 13029373 UHXASSOLRSXHTF-MHZLTWQESA-N 501.656 4.673 0 40 KJAB Cc1csc(N(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)c2ccccc2)n1 13095840 VOTSFPJCTUPSPS-CALCHBBNSA-N 506.049 4.881 0 40 KJAB COc1ccc(OC)c([C@@H](c2nnnn2C2CCCCC2)N2CCN(c3nc4ccccc4s3)CC2)c1 13496402 FFFGSTRYDJTRLC-VWLOTQADSA-N 519.675 4.717 0 40 KJAB COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(COC5=CC=CC[C@@H]5OC)nc4c32)cc1OC 13776106 XNSJZUZCIYFZKA-DFBJGRDBSA-N 514.538 4.508 0 40 KJAB Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc12 20079476 AIEYMIYYUBVRGL-MHZLTWQESA-N 503.695 4.676 0 40 KJAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 22430997 CFFZKYIPHPNGMD-GOSISDBHSA-N 517.445 4.839 0 40 KJAB COc1cc(CN(C(=O)c2cc(Br)ccc2Cl)C2CCCCC2)ccc1OCC(N)=O 22834186 OLBCSFRAXGTSIM-UHFFFAOYSA-N 509.828 4.950 0 40 KJAB Cc1ccccc1N(CC(=O)NCc1ccccc1-n1ccnc1C)S(=O)(=O)c1ccc(Cl)cc1 30867369 QVDROXIIMIBNCH-UHFFFAOYSA-N 509.031 4.654 0 40 KJAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C 36369554 XESODQRWBFMKEB-CYIYBOQLSA-N 500.683 4.679 0 40 KJAB biogenic CN(C)C(=O)COc1ccccc1C(=O)OCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 38141953 MHTKYPDRXLVYIO-UHFFFAOYSA-N 527.371 4.504 0 40 KJAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1cccc(Br)c1 59836952 RVJHKYGFTLIWEF-SFHVURJKSA-N 529.456 4.847 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc4ccccc34)S(C)(=O)=O)cc2)c(C)c1 59885138 AYPUHVYMGYALKD-UHFFFAOYSA-N 537.663 4.662 0 40 KJAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 59928622 JQBVOYJIQCEAMP-VMPITWQZSA-N 554.112 4.543 0 40 KJAB CCOC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OCC)C1c1cc(Br)c(OC)c(OC)c1 97939610 AXWYACCMQJUMEN-UHFFFAOYSA-N 590.467 4.977 0 40 KJAB COc1ccc(C(=O)COC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Br)cc2)cc1 97995677 XCIAIYACIKARTO-XMMPIXPASA-N 535.394 4.706 0 40 KJAB biogenic Cc1cc(Cl)ccc1N(CC(=O)NCCNC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 98001223 KQMXYNSKQHLFOR-UHFFFAOYSA-N 703.670 4.933 0 40 KJAB Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c2cccc(O)c2)cc1 100286931 YZWYKRCUXZLISQ-RUZDIDTESA-N 533.032 4.697 0 40 KJAB O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 100832663 BISAJBMTDUXRBX-YXYCRFMBSA-N 593.768 4.961 0 40 KJAB O=C(CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 103000292 TYRXIPXXVPIVDE-UHFFFAOYSA-N 607.054 4.507 0 40 KJAB COc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)CSc3nnnn3-c3ccccc3)cc2s1 103765182 AWVAIABBUWJWHG-UHFFFAOYSA-N 563.690 4.742 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1F)c1ccc(F)cc1 113512796 AIIKBTTXQMBQJJ-UHFFFAOYSA-N 514.291 4.623 0 40 KJAB CC(C)COc1cccc(C(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)O)c1 150342259 RZADAZUFGPGBEB-UHFFFAOYSA-N 624.238 4.756 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cccnc2SCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2Cl)c1 150509916 AKQPYVHBFBOEIE-UHFFFAOYSA-N 760.744 4.976 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 222484482 BOBABVLWWVWXNY-MHZLTWQESA-N 556.128 4.581 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 222735189 KVQCZEGMHXNIEL-LJQANCHMSA-N 548.492 4.660 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 222860271 ANRHNCDPFQOYRE-LJAQVGFWSA-N 565.736 4.839 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 222874315 ARNRIRYOIIEPEJ-HHHXNRCGSA-N 581.735 4.540 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 223074024 ODIDTPZCBBHBRB-SANMLTNESA-N 572.127 4.714 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(c1ccccc1OCC)S(C)(=O)=O 223173069 STGDCVAUKGQPPA-GDLZYMKVSA-N 579.763 4.716 0 40 KJAB Fc1cc(Br)ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)o1 223203000 UMGODAWQZRPDQW-BJKOFHAPSA-N 545.478 4.938 0 40 KJAB COc1ccccc1CNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 223299522 RQTYZUKVVHPHPI-JGCGQSQUSA-N 585.726 4.543 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 223383232 IFLBXCXXWJHAKJ-GDLZYMKVSA-N 565.736 4.876 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 223558235 XNMBUACNKXASCZ-RUZDIDTESA-N 535.710 4.669 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 223603819 MPCGDAJLNHCAPT-JOCHJYFZSA-N 542.101 4.706 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 223701353 KQYMYRBULOQBHP-SANMLTNESA-N 592.545 4.544 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 223810974 KKRQEARZLMRDEK-DEOSSOPVSA-N 653.798 4.701 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 223864597 WGDBMPZPWDDUIL-QFIPXVFZSA-N 539.673 4.527 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 223872502 NHLVWKRWQZOFRF-NRFANRHFSA-N 555.647 4.636 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 224244629 FMPYTXMNISPTCD-MHZLTWQESA-N 539.673 4.581 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 224561997 BSHAABKLRGNULL-MHZLTWQESA-N 623.578 4.912 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 224646673 JOFBLEKFNMVHJQ-XMMPIXPASA-N 533.694 4.748 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224655925 BQQFKPMOKYIACK-INIZCTEOSA-N 560.931 4.889 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 224687170 YYSDPIKKFHTKFS-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 224729529 MVHHISZNKIUVHL-NRFANRHFSA-N 608.599 4.870 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cccc(C)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 224850908 FEAQPVHPGLFXAC-PMERELPUSA-N 561.748 4.768 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 224856368 WQHWNHZODRJYFN-HSZRJFAPSA-N 556.556 4.956 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccccc1Cl 224948437 VLZDCXBORSCOOI-NDEPHWFRSA-N 586.129 4.944 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 225047358 CQSDOLYJEBFYEI-IFMALSPDSA-N 536.138 4.835 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225192453 MKGDTZDTJABOBQ-RBUKOAKNSA-N 572.555 4.880 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225324994 GXPUWSPLFMXFRW-JKSUJKDBSA-N 578.946 4.753 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(Br)cc2)cc1 225463443 NOFTVGIITNYSAU-QFIPXVFZSA-N 616.578 4.985 0 40 KJAB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 253617361 VKXXPYARELKQOY-HOZBEBFYSA-N 506.680 4.679 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(=O)NC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 260723775 HMEHOIKWOXNRGK-GDLZYMKVSA-N 625.788 4.938 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)c2ccc(Cl)cc2)cc1OC 260727387 JCHBWXRVNQCWAM-JOCHJYFZSA-N 602.153 4.803 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1OC 260752644 DDYZEGZQXZMTCE-HXUWFJFHSA-N 603.688 4.509 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O)[C@H](C)C(=O)NC1CCCCC1 260765267 FFLNDPNRZWHRNX-HSZRJFAPSA-N 541.758 4.925 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)cc1 260776132 JETZEEWLDNNYFU-RUZDIDTESA-N 547.721 4.975 0 40 KJAB Cc1ccc(CN(CC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 260828256 NFWQEQJEBCRFAP-JGCGQSQUSA-N 597.737 4.647 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 260913987 GCMGJYKIOSZYFC-YKSBVNFPSA-N 536.138 4.952 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 260999899 RMAGAYDIYFNUDX-DQEYMECFSA-N 565.736 4.839 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 261059277 NNSKWTAXQMRGPX-DWACAAAGSA-N 630.605 4.779 0 40 KJAB Nc1cc2c(-c3ccccc3C(=O)O)c3cc([N+](=O)[O-])c(=O)c(Br)c-3oc2c(Br)c1O 390822305 CJFSIVMKTPWPEL-UHFFFAOYSA-N 550.115 4.984 0 40 KJAB COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c(OC)cc1Cl 408598106 ZXMHZNUYZCGFEZ-UHFFFAOYSA-N 507.823 4.703 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c2cccc(Br)c2)cc1 408614876 JFCJPYPTVYOCQU-JOCHJYFZSA-N 586.508 4.500 0 40 KJAB Cc1ccc(C(=O)[C@H](C)OC(=O)CN2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408651588 GWRQIBQSOXZYOC-YNVFUZDBSA-N 548.422 4.703 0 40 KJAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 408683084 HISZBBVKQKVXKV-CQDRRGRBSA-N 564.638 4.678 0 40 KJAB O=C([C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408714589 HWQHCRIEPMSILC-DEOSSOPVSA-N 566.001 4.664 0 40 KJAB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OC(C)=O 408774803 CUSOSDXBDFONKV-FQKMCRJQSA-N 652.485 4.996 0 40 KJAB CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OC)c(OC)c1)C(C(=O)Nc1ccccc1)=C(C)N=2 408820477 WKPBHVDNGOIRGK-ASZNLBCTSA-N 590.101 4.943 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(C)(=O)=O)cc2)c(C)c1 408927224 UIHXDMXUMHEHEL-UHFFFAOYSA-N 556.493 4.816 0 40 KJAB COc1ccc(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 408935612 ICGZXQOMHOURSQ-UHFFFAOYSA-N 509.411 4.840 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1 409018600 HUUFCGNUGNADNF-YZSQISJMSA-N 713.550 4.962 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cc(Cl)ccc3OC)c2=O)=N1 409031796 BFWUAYDTOBZLCA-LYRGBEMXSA-N 561.487 4.903 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4cccc(F)c4)cc3)c2=O)=N1 409031871 BEDQOYWJIBMGIS-CMISJSSVSA-N 528.605 4.516 0 40 KJAB COc1ccc(C)cc1NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 409058891 ZFNDZLAJVYTMAE-UHFFFAOYSA-N 517.445 4.904 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409081385 PVBQLQVFGVMCIT-KIHONOKQSA-N 636.362 4.731 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409094909 GQXCWCMOFVQICU-ZNQKWNQWSA-N 595.346 4.879 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C/c3cc(Br)c(Sc4nc(C)cc(O)n4)o3)c2=O)=N1 409096862 KVJBKUOGYQQSKK-ZBXXMNEPSA-N 671.595 4.898 0 40 KJAB Cc1ccc(C)c(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c1 409127195 DAEGSBALOXJJFK-UHFFFAOYSA-N 520.392 4.742 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1OS(=O)(=O)c1ccccc1 409171920 DOPPCEUFEZAUQI-IWIPYMOSSA-N 552.630 4.755 0 40 KJAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)c(OCc4ccccc4)c3)C2=O)cc1 409229994 WJKPVSOQXPMGFR-BUVRLJJBSA-N 504.564 4.958 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c2cccc(C)c2)cc1 409272360 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COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)cc1 931941 BLGYAHLLNSFIGL-GDLZYMKVSA-N 523.568 4.670 0 40 KJAB Cc1cccc(C)c1-n1c(SCC(=O)N2c3ccccc3C[C@H]2C)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 3256953 ZXIYOJKXKZLTPC-OAQYLSRUSA-N 561.733 4.871 0 40 KJAB CCOc1cc(C(=O)NC(=S)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc(OCC)c1OCC 4122884 PDQNLAYEMVUXST-UHFFFAOYSA-N 533.606 4.810 0 40 KJAB Cc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(C)cc3)c(=O)c3ccc(C(=O)NCc4ccccc4Cl)cc32)cc1 8595985 LUGRWGFXDQVFLH-UHFFFAOYSA-N 567.045 4.991 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2ccc(C)cc2)cc1 8599817 JYSGMUMWVQEUDL-XMMPIXPASA-N 503.530 4.677 0 40 KJAB COc1ccccc1OCCOc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NC[C@@H]2CCCO2)cc1 8858227 XDPCAXYZCYTDSM-JRYDFKMLSA-N 530.621 4.528 0 40 KJAB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccc(Cl)cc1 8897855 YTQTUUWHHZTIRP-UHFFFAOYSA-N 503.411 4.676 0 40 KJAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCN(C(=O)OCC)C2 9639389 XXSURQNRWVNLHZ-UHFFFAOYSA-N 501.388 4.764 0 40 KJAB COc1cccc(N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)S(=O)(=O)c2ccc(C)cc2)c1 9805443 KTYUOYOMNMZBNW-UHFFFAOYSA-N 528.074 4.510 0 40 KJAB COC(=O)c1ccccc1NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 9846028 WRGUMYYLASOWKH-UHFFFAOYSA-N 507.395 4.610 0 40 KJAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(OCc3ccc(F)cc3)cc2)c1 9934732 JVEXGNNPIDBKSG-SANMLTNESA-N 515.545 4.941 0 40 KJAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)CNC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 10041005 LXMLFSXUMIASLX-UHFFFAOYSA-N 521.569 4.888 0 40 KJAB CCCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 10692829 ARWINOZPVLMPNX-UHFFFAOYSA-N 526.486 4.704 0 40 KJAB CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCCC1 12883771 ACHQQXBCGYQFNN-KPUKOFIMSA-N 512.654 4.618 0 40 KJAB biogenic CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21 13024496 XXYNHOZGLQGEBN-MUUNZHRXSA-N 529.641 4.523 0 40 KJAB CCc1nnc(SCc2ccccc2)n1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 14274202 MIRJOLHGJHWGRM-UHFFFAOYSA-N 503.653 4.970 0 40 KJAB COc1ccccc1NC(=O)[C@@H](CCSC)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 17862898 QDBRCJQGWLXIDH-PXGXXNHBSA-N 512.631 4.648 0 40 KJAB COc1ccc([C@H](C)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 19931180 OPXWFMFKPUIHPE-AOMKIAJQSA-N 507.439 4.769 0 40 KJAB COc1cccc(N(CC(=O)N[C@H](C)c2ccc(Cl)cc2)S(=O)(=O)c2cc(C)ccc2OC)c1 20015025 RDFSADYKGHSFLT-GOSISDBHSA-N 503.020 4.738 0 40 KJAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 22230339 JELNHKLUWSLVSC-KRWDZBQOSA-N 510.456 4.833 0 40 KJAB Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c1 22869619 SMRBXHOACNOIKX-ZQAZVOLISA-N 589.744 4.807 0 40 KJAB O=C(CSc1nc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2s1)NCCOc1ccc(Cl)cc1 33353657 ALMRPSKTNZHNDO-CYFXWZIOSA-N 540.066 4.549 0 40 KJAB COc1c(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCC3)cc2ccccc2c1Br 59331515 ZOSDYWVCPMIEGZ-UHFFFAOYSA-N 518.458 4.777 0 40 KJAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 59929171 GXCSPXRHPWKZEJ-UHFFFAOYSA-N 565.589 4.538 0 40 KJAB COc1ccc([C@@H](C)NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 60016358 JKXCYPUDUGHHBV-GOSISDBHSA-N 547.471 4.847 0 40 KJAB COc1cc(OC)cc(C(=O)NCc2nnc(SCC(=O)N3CCCc4ccccc43)n2-c2cccc(Cl)c2)c1 97961578 YCSTZWMZMJHNMB-UHFFFAOYSA-N 578.094 4.939 0 40 KJAB CCCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2NC(=O)c2cccc(OC)c2)cc1 97995812 GPCCPVPSRAHYKI-DEOSSOPVSA-N 595.077 4.591 0 40 KJAB CSCC[C@H]1N[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 100150930 DZHLJYMOQCOYLT-OAWVOVMNSA-N 532.065 4.613 0 40 KJAB CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cc(Br)c(O)c(OC)c3)[C@H]2C1=O 101236589 AXXPWHSQASXYEH-AKFKNWHVSA-N 539.382 4.613 0 40 KJAB Cc1ccc(N2C(=O)C[C@H](C(=O)O[C@@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)[C@@H]2c2cccs2)cc1 103121158 WZVYESLTWQNGNM-XAJLNHFYSA-N 558.660 4.519 0 40 KJAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N32)cc1Br 103510608 XRICBSHPLVJRLD-MJTJJFPGSA-N 547.380 4.870 0 40 KJAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@H](NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 104069954 DRALDEYSNGRUOW-VYTNBFIRSA-N 586.800 4.546 0 40 KJAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cccc3c(Br)cccc23)CC1 105316945 ZSAWXAGQHMIJAI-UHFFFAOYSA-N 525.472 4.788 0 40 KJAB COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c1 105356021 XIQAHPHLZXCDSQ-DHZHZOJOSA-N 526.014 4.750 0 40 KJAB COc1ccc(N(CC(=O)NCCSCc2ccccc2Cl)S(=O)(=O)c2ccccc2)c(OC)c1 105777252 TUIQTIRIWFAETN-UHFFFAOYSA-N 535.087 4.602 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3ccncc3)c(=O)cc1[C@@H](NC(C)=O)CC2 108447668 FZXWDYSRYZZXFS-VWLOTQADSA-N 574.678 4.869 0 40 KJAB biogenic O=c1/c(=C/c2ccc3c(c2)OCO3)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 111477395 ZXTSGKNYMANFTJ-ZSJKCPIUSA-N 543.442 4.810 0 40 KJAB 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CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 223002078 FHPPBSGGXCWDFZ-VWLOTQADSA-N 565.736 4.923 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 223057752 CTWVBRJAPSQJEQ-VWLOTQADSA-N 595.762 4.850 0 40 KJAB O=C(NC[C@@H]1CCCO1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 223098265 HWEHWJKYNLYSOX-XDFJSJKPSA-N 638.230 4.992 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223208536 MVFWUQFXZMGRHN-MUUNZHRXSA-N 600.181 4.979 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 223307805 QQUXULNPSDMEPE-MHZLTWQESA-N 556.128 4.662 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 223574675 FCPQOBQTPQVWTO-BTNFRNHLSA-N 565.780 4.782 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 224020364 SHHBYVULCBKBSV-JOCHJYFZSA-N 572.127 4.714 0 40 KJAB 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 409005102 CNOFVCNPPQAOAG-DFXMODJXSA-N 625.747 4.831 0 40 KJAB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1 409058387 OGOMWUDVCQTXEL-UHFFFAOYSA-N 507.837 4.610 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)Cc2ccc(Br)cc2)cc1 409060303 PJZHEYYGKJJIAN-UHFFFAOYSA-N 505.478 4.955 0 40 KJAB CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)cc1OCC 409121279 XTQMGJFQKHVZSS-OGRZUZBBSA-N 554.112 4.554 0 40 KJAB C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc(I)cc2)n1C 409340718 AVHNOJNEKAOWBW-NSHDSACASA-N 590.274 4.948 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccccc3Cl)C(C)C)n2CC)cc1 409344889 LJINWUDJWQCHHX-QFIPXVFZSA-N 544.077 4.986 0 40 KJAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O 526052501 KOSYHELAOALEND-NSOVKSMOSA-N 529.600 4.862 0 40 KJAB Cc1nn(C)c(C)c1CNC(=O)c1nn2c(c1Br)N[C@H](c1cccs1)C[C@H]2C(F)(F)F 647314 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CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3cccc(C(=O)O)c3)c(OCC)c2)C1=O 409011281 GVWMNNUMGASLHC-MQMKENTISA-N 625.437 4.955 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)c(Cl)c4)c(=O)n32)cc1 409078284 BLUGWCKNEVGVPX-SJJVXOANSA-N 546.048 4.545 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409108649 XYFOVHIINVKPIS-OCEWKHMESA-N 576.074 4.715 0 40 KJAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12 409124232 AELPBOBHDVYFBY-XKZIYDEJSA-N 523.456 4.631 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccc(C)cc3)C(C)C)n2CC)cc1 409126856 GGTHIYIAQVGWOA-QHCPKHFHSA-N 523.659 4.641 0 40 KJAB CC(C)n1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c2ccccc21 409145181 MYHUQLVEYACMHB-BUVRLJJBSA-N 504.612 4.734 0 40 KJAB COC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1OC 409148306 YGWUMCYLYUIUAO-CPNJWEJPSA-N 520.401 4.679 0 40 KJAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)C1=O 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CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 222710895 NGXSHPRRIQPJEU-XMMPIXPASA-N 627.388 4.908 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC)S(=O)(=O)c2ccccc2)cc1 222753795 VWJSZQXNXRHRMS-IBGZPJMESA-N 562.519 4.914 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 222971636 LPUNZTZSEISHOV-XMMPIXPASA-N 551.709 4.533 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223070967 JFXASYPNSZXLFG-HSZRJFAPSA-N 599.725 4.680 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223203861 KARDHNAPCYAJMJ-MHZLTWQESA-N 611.736 4.823 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 223221744 BTBRXXVBOOTIQY-RUZDIDTESA-N 546.064 4.536 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 223221853 SHCWLSRAEMCQGR-RUZDIDTESA-N 546.064 4.536 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223332331 PZECXGAMIKIOQT-ABYGYWHVSA-N 549.737 4.624 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223430570 GMQHODZIKMGAHR-MUUNZHRXSA-N 583.726 4.893 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 223686996 OMDVDLBVAFDKIR-JOCHJYFZSA-N 542.101 4.706 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)[C@@H](C)C(=O)NC1CCCC1 223760516 ISJHSSKFAFABML-VWLOTQADSA-N 547.721 4.975 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 224144970 FZYPQJWTWAFEEF-NDEPHWFRSA-N 525.649 4.538 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 224147036 SEYCTNCUJBUMPT-VWLOTQADSA-N 535.710 4.688 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 224541653 URDIFQUIAYABFW-XMMPIXPASA-N 521.683 4.708 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224613770 BAJBABGTNNLTAI-NDEPHWFRSA-N 655.814 4.804 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 224756786 BSJHQMSSWGXJNE-MHZLTWQESA-N 583.726 4.918 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 224844863 USCLLJWEUHVZCB-QFIPXVFZSA-N 545.721 4.801 0 40 KJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 225043502 PCYVXVZOMQXCIJ-QFIPXVFZSA-N 586.552 4.630 0 40 KJAB CCn1c(=O)sc2cc(NC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccc(C)cc3)ccc21 225081985 KDRYXPGGKGUJDT-UHFFFAOYSA-N 546.070 4.887 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225162612 DBDNNLSKPSGLQG-QGZVFWFLSA-N 558.503 4.765 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 225177070 TYUVHESNZFXHTC-FCHUYYIVSA-N 572.127 4.876 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 225310212 UMCURJQWLSJSAS-RUZDIDTESA-N 564.148 4.679 0 40 KJAB CCOc1ccc(N(Cc2ccc(C(=O)NCC3(c4ccccc4)CCOCC3)cc2)S(C)(=O)=O)cc1 225393459 DNTOUZIGNVKMEF-UHFFFAOYSA-N 522.667 4.530 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 225425839 KQRMFTGMFWDKSB-XZOQPEGZSA-N 556.128 4.910 0 40 KJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1NS(C)(=O)=O 225493600 SEPMGBRGDBXOHZ-JWQCQUIFSA-N 525.700 4.946 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 225557809 ZNHPYBDNHAOSMH-HXUWFJFHSA-N 546.064 4.616 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](CC)C(=O)NC(C)C)c2ccccc2)cc1 225709034 RDXRAQKREKYIOU-NDEPHWFRSA-N 551.709 4.613 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 225753392 XYHQHPBCTPSXOG-NEKDWFFYSA-N 611.761 4.630 0 40 KJAB COc1ccc(N(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl 226074140 DJJKBPKHFVBLBO-UHFFFAOYSA-N 583.066 4.558 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 260720686 HEMMKHZERSUYGN-GDLZYMKVSA-N 565.736 4.921 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1 260825614 ZNNUUSZJNDYOAM-GOSISDBHSA-N 540.513 4.544 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 260980001 AVVHCWSTWFULPN-ZTOMLWHTSA-N 598.165 4.863 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 260995730 QTJARNHXZOZTEU-BWKNWUBXSA-N 536.138 4.917 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 260996997 RAMBEVFNDKRPSF-DQEYMECFSA-N 565.736 4.839 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 261016997 VNVFUNSHIKWVEX-VXKWHMMOSA-N 521.683 4.769 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 261029061 WWSOCJFVCHEHDE-AHWVRZQESA-N 529.747 4.880 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 261054576 MQTSYZWXZBHSQD-IRPSRAIASA-N 549.737 4.624 0 40 KJAB COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408541904 GMCOYXZXYMNNAQ-ONUIUJJFSA-N 586.620 4.571 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2)Cc2ccccc2)cc1Cl 408582322 CIBIRFLNAWJMQD-UHFFFAOYSA-N 570.836 4.783 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1ccc(F)cc1 408587680 SZWATWFRYOJGNT-UHFFFAOYSA-N 511.402 4.961 0 40 KJAB O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 408610401 QNWKRJZRWMWZCD-UHFFFAOYSA-N 520.998 4.718 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(C)c(Br)cc2C)cc1 408662443 IQEQIGYRAVUWDZ-UHFFFAOYSA-N 533.419 4.923 0 40 KJAB COc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](c5ccccc5)CC[C@H]4C3=O)c2)c1 408683745 ISYBNJHVGQZWNS-LZYPDUGYSA-N 512.562 4.564 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C\c4cc5c(cc4Cl)OCO5)c(=O)n32)cc1 408822885 MQVKMQIPZXJKMK-VIYYDIFJSA-N 588.085 4.881 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)c2=O)=N1 408841164 JIXQMIAYBARZCE-ASZNLBCTSA-N 586.666 4.854 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc5c(cc4Br)OCO5)c(=O)n32)cc1 408852543 HHXBDWJTSBHSSN-ORVZPOCUSA-N 618.509 4.764 0 40 KJAB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1OC(C)C 408926556 USKZRPLGZMEIAC-SJJVXOANSA-N 545.686 4.731 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 408927165 OQLLQFKDUXSPEY-QQMBNGEASA-N 632.710 4.932 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OC)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 408949920 SVFMVCPIWZCPST-FFMVHGEESA-N 642.753 4.604 0 40 KJAB COC(=O)c1ccccc1NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C(=O)O)cc2s1 408980218 FDDPSSUKGOKYFM-UHFFFAOYSA-N 521.576 4.764 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c2=O)=N1 409029372 ACRPQELUURIZTM-WLGHQHAYSA-N 695.430 4.542 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409093672 BOCOMQDEBUQTQV-ZNQKWNQWSA-N 595.346 4.879 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(Br)c(Sc4ncccn4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 409102018 UMHVIPVJFMUIMU-RJFKIUDMSA-N 689.569 4.961 0 40 KJAB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4\C(=O)N(Cc5ccccc5)c5ccc(Br)cc54)c(=O)n32)cc1 409112213 BIEVDKSMGWHGLJ-SUUDBTLLSA-N 658.574 4.875 0 40 KJAB COC(=O)c1cccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3ccc(Cl)cc3Cl)C(C)C)n2)c1 409164076 CDZJIQHPOVLOMP-IBGZPJMESA-N 536.441 4.756 0 40 KJAB COc1ccc(CNC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1 409195665 RLXPRGFKSVLWML-UHFFFAOYSA-N 537.863 4.618 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCC(=O)Nc4ccc(F)cc4)c(Br)c3)C2=O)o1 409398017 AYGFBCGSTPVOTR-GRSHGNNSSA-N 651.239 4.841 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2Cl)c2ccc(F)cc2)cc1 409411525 ILUWFWPGYYGYNW-UHFFFAOYSA-N 523.051 4.733 0 40 KJAB COc1ccc([C@@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)cc1OCc1ccc(C(C)C)cc1 524729546 YBFZQANFEJAKRF-PZFKOMAXSA-N 639.749 4.845 0 40 KJAB biogenic Cc1ccc(S(=O)(=O)NCC(=O)N2CCC3(CCCCCc4ccccc4OC[C@H](CC(C)C)NC3=O)CC2)cc1 643580079 PZMSCCWYPOBFSI-MHZLTWQESA-N 583.795 4.609 0 40 KJAB CC[C@H](C)[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(Cc1cccc(C(F)(F)F)c1)CC2 643581750 XEXSVFDLXVGOHK-REWPJTCUSA-N 511.629 4.525 0 40 KJAB CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 901553 FQRSEEKTMKHDSF-AREMUKBSSA-N 501.612 4.529 0 40 KJAB COc1ccc2c(c1OC)C(=O)O[C@H]2c1cc(Br)c(O)c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c1 1610409 AIIKGLBDNFSTLU-FCHUYYIVSA-N 557.349 4.709 0 40 KJAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2207062 XPQARFFLJJCQBI-IBGZPJMESA-N 515.341 4.977 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(C2=N/C(=C/c3cn(-c4ccccc4)nc3-c3ccccc3)C(=O)O2)cc1 3208627 PDVTVZGYOYPICL-LGUFXXKBSA-N 526.618 4.914 0 40 KJAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c1 3302202 QGWNJVKLGDUNSJ-XMMPIXPASA-N 501.004 4.501 0 40 KJAB COc1cc([C@H]2CC(c3c(O)cc(C)oc3=O)=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)ccc1O 9409776 JHDLIQMEODEINT-LJQANCHMSA-N 520.929 4.584 0 40 KJAB C[C@]12C(=O)N(Cc3ccco3)CC(=O)N1C[C@H](c1ccc(Br)cc1)c1c2[nH]c2ccccc12 12876605 SERDFHHGTIOHEU-IBVKSMDESA-N 504.384 4.755 0 40 KJAB biogenic CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCc1ccccc1Cl 13576833 JFTTWWYIRXDOQS-VIXPVTTASA-N 500.064 4.536 0 40 KJAB COc1ccc(C(=O)Nc2cc3c(cc2C(=O)c2cccc(I)c2)OCCO3)cc1 15023296 RPQXMIYQBRFVAX-UHFFFAOYSA-N 515.303 4.554 0 40 KJAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CCN(Cc4ccccc4)CC3)n2)cc1 19894381 UAOMXZNGGWKOPB-UHFFFAOYSA-N 502.562 4.608 0 40 KJAB C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccc(Br)cc1 20024019 ZTYKXPMAVZMFEV-GOSISDBHSA-N 501.446 4.738 0 40 KJAB CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(Cc2ccccc2Cl)CC1 20083200 XOFULKUNRMBENM-SANMLTNESA-N 534.108 4.837 0 40 KJAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 22431980 LWDKLFGWSPHNQR-GOSISDBHSA-N 503.020 4.738 0 40 KJAB COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1 57594679 OBDGLBMYLPNENZ-NDEPHWFRSA-N 522.584 4.589 0 40 KJAB O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 59929260 PUZHJIKJSSRPAX-QHCPKHFHSA-N 552.911 4.885 0 40 KJAB CC(C)C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccc(F)cc1 70701580 UNAQOWVVFPXMDO-HPUNYJORSA-N 538.623 4.624 0 40 KJAB biogenic COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCCC(=O)OCC(=O)c3ccc(C)cc3)cc2)cc1 97945566 XPVDJQDDNLNWQD-UHFFFAOYSA-N 531.561 4.578 0 40 KJAB CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)o2)cc(OCC)c1OCC 97963834 VVCFMAOQBXPPBO-GOSISDBHSA-N 558.657 4.748 0 40 KJAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC(c4nc5ccccc5s4)CC3)cc2)C1 100176626 QLRGLLUBFXJEEQ-RTBURBONSA-N 533.741 4.531 0 40 KJAB Cc1cc(C)c(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1C 103015792 YSKGLDLIMNOYNV-GDLZYMKVSA-N 595.787 4.849 0 40 KJAB COc1ccc(C(=O)NC(=S)Nc2ccc3nc(NC(=S)NC(=O)c4ccc(OC)cc4)sc3c2)cc1 105220631 COCZIMHYMJSFIP-UHFFFAOYSA-N 551.675 4.567 0 40 KJAB COc1ccc(/C=C(\NC(=O)c2ccccc2Br)C(=O)Nc2cc(C(=O)O)ccc2OC)c(OC)c1 113561825 IHVFCGPMPQQHRD-MTJSOVHGSA-N 555.381 4.583 0 40 KJAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](OC(C)=O)C[C@H]1C[C@H]3OC(C)=O 118914770 VKXXPYARELKQOY-VLWDHVFWSA-N 506.680 4.679 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(F)cc2)c(Cl)c1 140353773 QVWRQQBONLNAJA-UHFFFAOYSA-N 534.993 4.889 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 222571864 SDONEAAPNWYZEY-RBJSKKJNSA-N 595.762 4.664 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 222673514 ROZXTMIEZHIMEJ-LJAQVGFWSA-N 678.605 4.802 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 222693901 JSPFGZQLMXOIHR-FQEVSTJZSA-N 562.519 4.969 0 40 KJAB C[C@@H](NC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1)c1ccc2c(c1)CCCC2 222937757 GCWUGLZUHNJNLP-HSZRJFAPSA-N 517.695 4.563 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 223096567 YKXKVXLDJSBESL-HKBQPEDESA-N 629.779 4.984 0 40 KJAB O=C(NCc1ccncc1)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223183300 DSCLJLBDNBGMJG-YTTGMZPUSA-N 614.743 4.551 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 223230891 YNPPANPLLYHQIH-HHHXNRCGSA-N 595.762 4.930 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223250438 PNRQQHCQXZRLSF-HKBQPEDESA-N 591.774 4.625 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223307015 XLVAQJWAPPYQDE-VAVYLYDRSA-N 607.773 4.559 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 223438033 RFRPMFVMBPNGHZ-VWLOTQADSA-N 578.518 4.751 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 223442491 JSEJKWOTHYYKHE-QHCPKHFHSA-N 567.708 4.587 0 40 KJAB COc1cc(OC)cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCC2)c1 224003122 RSJJCKKCOHGFKY-MRXNPFEDSA-N 509.430 4.866 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 224060187 HJMNDCYVXULHFF-DEOSSOPVSA-N 653.798 4.783 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)c2ccccc2C)cc1 224150231 JUJGRYWHQSXWOP-SANMLTNESA-N 549.737 4.997 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 224300220 RBYPWPWOCMJUIB-HSZRJFAPSA-N 554.540 4.934 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224389068 GCICFTIEUAIFCW-MUUNZHRXSA-N 627.710 4.798 0 40 KJAB O=C(Nc1nnc(S(=O)(=O)NCCSCc2ccc(Cl)c(Cl)c2)s1)c1ccc(Cl)cc1 224492404 SJSLFQMYWFZOON-UHFFFAOYSA-N 537.903 4.962 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 224534179 IUYFAQOYWCVZNU-HHHXNRCGSA-N 646.604 4.914 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 224589996 QDYPQBHESOTCRF-NDEPHWFRSA-N 586.154 4.589 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224716599 YHPGBFQVIOQOGV-QFIPXVFZSA-N 562.054 4.704 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 224880782 SUUBHIZOHKDHCE-MUUNZHRXSA-N 565.736 4.779 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 225122060 ABVVXDHOVZFAIC-PMERELPUSA-N 579.763 4.749 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(N(C)C)cc2)cc1 225221743 GBHVMNSSGCGBCW-WUFINQPMSA-N 526.666 4.700 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)ccc1OC 225293524 LJBKSRZMTHYTPH-CLJLJLNGSA-N 507.660 4.851 0 40 KJAB COc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 225437483 MLPDYYDERFXLFZ-SFHVURJKSA-N 503.020 4.738 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 225445327 BWGJAMBKAYOKJG-SFHVURJKSA-N 623.367 4.570 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 225477845 GINOBLLVDIMFPF-IBGZPJMESA-N 622.969 4.778 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 225551475 KPUOGWAFEQKFEQ-RPLLCQBOSA-N 529.747 4.880 0 40 KJAB COC(=O)c1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccccc1OC 225678213 ZRLTVRYZXUVZHN-IZLXSDGUSA-N 555.660 4.669 0 40 KJAB CC(=O)Nc1ccc2nc(NC(=O)CN3CCC4(CC3)CCC(C)(C)N(S(=O)(=O)c3cccc(F)c3)C4)sc2c1 257230356 GBYCGHOTLNLBGJ-UHFFFAOYSA-N 587.743 4.678 0 40 KJAB CN(Cc1ccccc1)C(=O)C[C@]1(COc2cccc(Cl)c2)CCCN(C(=O)CCn2ccnc2)C1 257243978 IJJYTQQWGGTZNU-MUUNZHRXSA-N 509.050 4.663 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@]3(CCCN(CC(=O)Nc4ccc(Br)cc4)C3)OC[C@@H]2CC(C)C)cc1 257290259 QCEQOHMZPBVIMQ-RPLLCQBOSA-N 578.573 4.666 0 40 KJAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCCC2)cc1 260781975 IZPQKVZQHBMOQI-LJQANCHMSA-N 554.540 4.789 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 260869156 KCOIAHCSGZGRJR-MUUNZHRXSA-N 549.737 4.543 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)c2cc(C)cc(C)c2)cc1 260907744 WYCDJANKTPFBMX-XMMPIXPASA-N 553.700 4.888 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 260983987 OQNMXLLHZCXVHU-YKSBVNFPSA-N 536.138 4.917 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccccc1 261022962 VXRUWFZCZICWMZ-HSZRJFAPSA-N 581.710 4.896 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 261058026 NFHHZDGYWFGMPL-QCDSWUKFSA-N 563.764 4.933 0 40 KJAB O=C(NCc1ccccc1)C(=O)Nn1c(C(=O)Nc2cccc(Cl)c2)cc2cc(Br)ccc21 408572795 AAAFUKGDJUQECZ-UHFFFAOYSA-N 525.790 4.696 0 40 KJAB CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 408615511 BHSJKLKQSHKWJE-UHFFFAOYSA-N 553.681 4.637 0 40 KJAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccc(Br)c(C)c4C)cc3)C(=O)[C@@H]21 408690835 WWJKCWRACVPNTR-PZVOEZMOSA-N 537.410 4.563 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 408702017 JLTKQMQZMNAJIY-UHFFFAOYSA-N 527.668 4.613 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Br)c3O)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408836497 RWEUREQBSYYOOD-JGZDWKDESA-N 591.911 4.707 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cccs2)n2c(s/c(=C\c3cc(I)cc(I)c3OC)c2=O)=N1 408928090 WFVSSKLUYGLXIX-OLROSQPISA-N 720.392 4.858 0 40 KJAB CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(C)c(OC)c1)C(C(=O)Nc1ccccc1)=C(C)N=2 408986354 QAZMHENAMHYGPH-FHMSYZJOSA-N 539.657 4.590 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccccc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408989670 UYFJWXSOLXYCBS-XGLKJEJJSA-N 584.694 4.785 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(-c4ccccc4)[nH]c4ccccc34)c(=O)n2[C@H]1c1ccccc1 408999986 MAZCBCZUVPBLLO-MGXIGDRJSA-N 519.626 4.947 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(CC)c4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409107798 QQFKRAGQHOMDOS-OCEWKHMESA-N 533.097 4.732 0 40 KJAB Cc1cc(I)ccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 409114473 JUUXBEVBALQFIK-UHFFFAOYSA-N 524.355 4.573 0 40 KJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 409118896 QPOBUVREXKZROH-SFHVURJKSA-N 544.471 4.811 0 40 KJAB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1Br 409120191 YNVDHFOSNLHKTA-UHFFFAOYSA-N 571.234 4.888 0 40 KJAB CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc1OC 409273727 RULCBIAKMFTDPQ-JAIQZWGSSA-N 533.002 4.582 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc(Cl)c1O 409327030 GUSKTRNDPOAGSR-SXGWCWSVSA-N 511.781 4.882 0 40 KJAB O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)NCc1cccnc1 409367176 ILYXFWCLJJRZJH-UHFFFAOYSA-N 543.270 4.658 0 40 KJAB COC(=O)c1ccccc1NC(=O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O 409380095 HNUUQTFIFXITKI-RTWAWAEBSA-N 627.446 4.985 0 40 KJAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(I)c1OCc1ccccc1F 409402605 XHQSTHQFMQHEEG-JAIQZWGSSA-N 620.371 4.881 0 40 KJAB O=C(NCCN1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 643561169 ANQQGYPLICWHQB-GDLZYMKVSA-N 596.772 4.703 0 40 KJAB CN1CC2(CCCCc3ccccc3OCCCC1=O)CCN(C(=O)c1nnc(O)c3ccccc13)CC2 643563556 CDHKBAGBAACFHQ-UHFFFAOYSA-N 516.642 4.602 0 40 KJAB 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CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 222454238 HKHMALVPIWQEQA-DEOSSOPVSA-N 535.710 4.785 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 222511878 ASCQEDPREQDOSK-HHHXNRCGSA-N 572.127 4.876 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1OC 222884217 DDYZEGZQXZMTCE-FQEVSTJZSA-N 603.688 4.509 0 40 KJAB COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1OC 223106894 SJYXCLLJQBVXPX-RRPNLBNLSA-N 551.083 4.835 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 223156797 FFHXGGLTEJENOF-DEOSSOPVSA-N 592.943 4.851 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 223163937 QQPSAUMHUOHBEY-RUZDIDTESA-N 572.127 4.714 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 223170839 JSBNLQKENZWUDM-FGZHOGPDSA-N 646.604 4.994 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O 223353259 LXHMISRUEJCYSL-SFHVURJKSA-N 542.529 4.655 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223994547 HJPYRGLRNFJZJR-SANMLTNESA-N 575.653 4.638 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 224261300 TXKRPWUDXCLWNT-AREMUKBSSA-N 606.572 4.934 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)cc1 224288464 YRTLKMPRALLUTM-DEOSSOPVSA-N 583.726 4.918 0 40 KJAB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1CN1CCCC1 224760601 LUBJIILVMNYMFQ-UHFFFAOYSA-N 531.600 4.813 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)cc1Cl 224773627 ISPFPAJGINJTAT-NDEPHWFRSA-N 598.165 4.814 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 224788493 RMCYCFRJWNWXOQ-QFIPXVFZSA-N 572.555 4.656 0 40 KJAB CCOc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224827073 MEWAGOMPBSFQAV-UHFFFAOYSA-N 542.101 4.830 0 40 KJAB Cc1cccc(OCCNC(=O)c2ccc(CN(c3ccc(C(F)(F)F)cc3)S(C)(=O)=O)cc2)c1 224866692 GJLCVHWHQIXCBL-UHFFFAOYSA-N 506.546 4.789 0 40 KJAB COc1ccccc1OCCNC(=O)CCCN(c1cc(Cl)ccc1Oc1ccccc1)S(C)(=O)=O 224872488 CVRZPSKKKMFLRY-UHFFFAOYSA-N 533.046 4.882 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 224880991 JRCBELPVBCIYAC-GDLZYMKVSA-N 565.736 4.779 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 224886635 ZMMJKOIWGICPOD-LJAQVGFWSA-N 625.788 4.796 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1 225044806 BZSVWDPDQQCYRW-MHZLTWQESA-N 636.598 4.941 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 225099905 ZDCOFJTVYYPOHB-XZOQPEGZSA-N 539.673 4.661 0 40 KJAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCS/C3=C/c3csc(Nc4ccc(F)cc4)n3)ccc21 225252469 LNJKVPQDANYJQC-FYJGNVAPSA-N 516.645 4.536 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 225353414 PUGUBPMIRQAXOM-FCHUYYIVSA-N 602.153 4.885 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 225359129 BJRFQAHISFXZIT-QFIPXVFZSA-N 572.555 4.882 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 225376096 SIITVAOSECRUBI-MHZLTWQESA-N 572.127 4.878 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)c1 225559668 JWNJLSGTJYLLBG-QFIPXVFZSA-N 602.153 4.803 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 225601494 DGCSYAUZXHIFKV-RUZDIDTESA-N 602.540 4.694 0 40 KJAB COc1ccc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1Cl 225631995 OPKYSJVOITZHCB-UHFFFAOYSA-N 512.937 4.879 0 40 KJAB COc1cccc(CN(C(=O)COc2ccc(C(C)C)cc2Br)[C@H](C)C(=O)NC(C)C)c1 225661177 DKOSDZWKHHACCY-GOSISDBHSA-N 505.453 4.902 0 40 KJAB CC[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 225806705 MAGVPISYDYBQCY-OAQYLSRUSA-N 551.111 4.598 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(Br)cc2)cc1 260761257 SXFBQPGALDECLK-JOCHJYFZSA-N 646.604 4.994 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)c2cc(Cl)ccc2OC)cc1OC 260863291 BPYVRTXQWIENIK-OAQYLSRUSA-N 650.169 4.890 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 260880016 BVAZPHJIKQQIMA-YWEHKCAJSA-N 595.762 4.930 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 260979915 NYSCEJCGKSUFOM-RTWAWAEBSA-N 522.111 4.527 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 260987459 BXTFGBNQQPVIEH-ZBLYBZFDSA-N 604.144 4.809 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)N[C@H](C)CC)c2ccccc2)cc1 261007292 STXPQDXJRNEEQT-JWQCQUIFSA-N 565.736 4.921 0 40 KJAB 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408734702 IPUAOKZWXMTFHK-SUAMDDGLSA-N 673.582 4.682 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408828522 HJWGVVZXAXTAML-XGHXRCDJSA-N 601.828 4.765 0 40 KJAB CC(C)c1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(=O)(=O)c2ccccc2)cc1 409023683 BUCGFCNGVHQTMS-UHFFFAOYSA-N 505.640 4.880 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1I 409032397 JGHVUXWQLLCWDV-NRBGUCFGSA-N 799.478 4.903 0 40 KJAB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1 409058899 ZHAXMAUKBAPCDV-UHFFFAOYSA-N 580.907 4.781 0 40 KJAB CCOC(=O)C1CCN(C(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)CC1 409059023 OBFCXEXILXOJRG-UHFFFAOYSA-N 547.888 4.639 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Cl)cc(Cl)c4O)c(=O)n32)cc1 409087205 HCYMVPGYADGFRU-LYRGBEMXSA-N 566.466 4.895 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Sc4nc(C)cc(O)n4)o3)c(=O)n2[C@H]1c1cc(Br)ccc1OC 409102046 CHZJGDPPLZDEQV-MNGMOJQWSA-N 722.437 4.880 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409107103 UVJYRZLCVRFYLX-KEBLUXQBSA-N 555.700 4.582 0 40 KJAB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)c(OC)c3)C2=O)ccc1Cl 409155521 QFLQFWRASOEPRK-RGVLZGJSSA-N 518.975 4.599 0 40 KJAB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)c(OC)c3)C2=O)ccc1Cl 409160758 ZHVNVVOHYPGVKZ-RGVLZGJSSA-N 502.976 4.899 0 40 KJAB CCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1OC 409249656 KVRAHEKJYKIXEI-MFOYZWKCSA-N 556.353 4.513 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(I)cc2)cc1 409409631 JBHWBDKKFWEDAN-UHFFFAOYSA-N 522.364 4.661 0 40 KJAB CC(C)C[C@@H]1NC(=O)C2(CCCCCOC[C@@H]3CCCN3C1=O)CCN(Cc1ccccc1F)CC2 643579134 RGPWGGHCKMDQNN-AHWVRZQESA-N 501.687 4.520 0 40 KJAB CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2cccs2)c1 901493 AOYPNKIXJMAGFM-MHZLTWQESA-N 515.639 4.919 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)o2)cc1 922283 SGWHVINYAHGAID-UHFFFAOYSA-N 516.689 4.687 0 40 KJAB CC1=C(C(=O)Nc2ccc(I)cc2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 944343 UJZQGFHNQZIQLA-INIZCTEOSA-N 502.139 4.865 0 40 KJAB COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@H]3c3cccc(Cl)c3)C2=O)cc1OC 2121932 ZSOWSMLIKNLERA-PWUYWRBVSA-N 530.024 4.766 0 40 KJAB biogenic CC(C)(C)C(=O)Nc1cc(C(=O)Nc2ccc(C(=O)O)cc2)cc(C(=O)Nc2ccc(C(=O)O)cc2)c1 2176639 RFVBGKMTHNWSBK-UHFFFAOYSA-N 503.511 4.572 0 40 KJAB COC(=O)c1c(N[C@](NC(=O)c2ccc(Cl)cc2Cl)(C(=O)OC)C(F)(F)F)sc2c1CCCC2 2283182 DTUFOCOHNVUADZ-HXUWFJFHSA-N 539.359 4.994 0 40 KJAB CC(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@H](CSCc1ccccc1)C(=O)OCc1ccccc1 5029044 KDULSAAQRDPXBU-RRPNLBNLSA-N 536.719 4.586 0 40 KJAB CCc1ccc(N(C(=O)Cn2nnc(-c3ccccc3F)n2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(Cl)cc2)cc1 6822146 MBBUKYFPICWSAM-RBJSKKJNSA-N 577.060 4.765 0 40 KJAB O=C(Nc1nc2ccccc2n1CCN1CCCCC1)c1cccc(Cn2cc(Br)cn2)c1 8431830 OCRZPWKCVHSAKI-UHFFFAOYSA-N 507.436 4.782 0 40 KJAB Cc1cc(C)c(Cn2c(=O)n(CCCC(=O)NCCc3ccc(Cl)cc3)c(=O)c3ccccc32)c(C)c1 9616636 MLLVPAZKGQDUCK-UHFFFAOYSA-N 518.057 4.929 0 40 KJAB CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2[C@H](C)CC)C1 12531357 PELUJFMXKOJMAK-AEFFLSMTSA-N 512.628 4.851 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)c2ccc(Cl)cc2)cc1OC 13646467 BRDWCWGJBHPRKV-QGZVFWFLSA-N 501.004 4.530 0 40 KJAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 16430517 LLCATMPOTWBPMG-LFYBBSHMSA-N 511.072 4.890 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)c2cccc(Br)c2)cc1 19930869 IGBLFQWQYPTTFK-WZONZLPQSA-N 501.446 4.525 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cccc(Br)c2)Cc2ccccc2)cc1 20011110 ZUXJQBNQAYFLAJ-GOSISDBHSA-N 517.445 4.526 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)c2ccc(Cl)cc2)cc1OC 22369989 JDAJMRZRQQBFCC-QHCPKHFHSA-N 515.031 4.746 0 40 KJAB C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)N1N=C(c3ccc4ccccc4c3)C[C@H]1c1ccccc1)CS2 34851945 BBJIQLMAUFEMPQ-IALVYGIMSA-N 513.619 4.515 0 40 KJAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 95948965 ZHEAVOFWKOMRJN-UHFFFAOYSA-N 504.456 4.568 0 40 KJAB O=C(Nc1nnc(CCOCCOCCc2nnc(NC(=O)c3ccccc3I)s2)s1)c1ccccc1I 97997785 PMTJCNVIIOHRTK-UHFFFAOYSA-N 776.420 4.922 0 40 KJAB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 98044720 HRQJIIPVNIZQMT-UHFFFAOYSA-N 571.634 4.501 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(c3cccc4c3CCCC4)[C@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)cc1OC 100329471 LILGRPFYQUWRJQ-LJAQVGFWSA-N 586.693 4.827 0 40 KJAB CCn1c(SCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccc(Cl)cc1Cl 103119980 AEBHFYLLVPWADO-QGZVFWFLSA-N 531.531 4.712 0 40 KJAB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Br)c1OC(=O)c1ccc(OC)cc1 104052605 HFOIUWLZXOJPLW-HMAPJEAMSA-N 551.418 4.846 0 40 KJAB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)cc3)CC2)c1 104146900 DAHJENJZNGWJIZ-UHFFFAOYSA-N 553.084 4.755 0 40 KJAB CC[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)c1ccc(OC)cc1 113946299 UBAUXJIFOZIDJY-URXFXBBRSA-N 501.004 4.572 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 215930135 FINWLKWPXCLDOH-NDEPHWFRSA-N 551.690 4.506 0 40 KJAB Cc1cccc(CN(C(=O)CCCN(C)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 222543606 ZFFZJNVUHANJJF-PMERELPUSA-N 563.764 4.808 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 222547511 JMRNPLMKGZCHFH-LJQANCHMSA-N 592.943 4.770 0 40 KJAB CSc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1C(=O)N1CCC(C)CC1 222646748 FTEJRPKMCNQUFQ-UHFFFAOYSA-N 502.687 4.908 0 40 KJAB O=C(NCc1ccccc1)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c2ccccc2O1 222729851 FOMPMSXXAHVAIK-MUUNZHRXSA-N 625.625 4.996 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(OC)cc1 222742423 RDORMBKCBLEQCQ-XMMPIXPASA-N 501.410 4.767 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCc2ccccc2OC)cc1 223021843 UKOFVQVMUSTESY-JGCGQSQUSA-N 613.780 4.883 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223055027 BHBPZBITIPGCLG-LEWJYISDSA-N 618.127 4.778 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223078321 UQRAPMPDKSLKCA-SFHVURJKSA-N 572.953 4.511 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 223111979 MRAUOJOOBACXFM-HKBQPEDESA-N 603.716 4.806 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 223221889 AHNWZCYHCDKBPL-QFIPXVFZSA-N 536.138 4.837 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223410860 KBLXLLYLOIEKLB-MHZLTWQESA-N 569.699 4.752 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 223574571 DKXUYQFPVJWIFF-NDEPHWFRSA-N 595.762 4.931 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 223804078 OQMGBJVIPZMAMS-QFIPXVFZSA-N 572.953 4.592 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 224039693 UFHLAPJDXIXKLO-HHHXNRCGSA-N 565.736 4.657 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 224229551 UDWPXLXEGHWACY-HXUWFJFHSA-N 542.101 4.972 0 40 KJAB COc1cccc(N(CCCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 224381872 BJPSSTUBABTVGS-IBGZPJMESA-N 572.555 4.738 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 224544822 BYOUUNXZLXQCSY-QFIPXVFZSA-N 570.539 4.634 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 224571560 UVGQIXSWQVHSNL-LJAQVGFWSA-N 623.772 4.774 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(I)cc1 224598229 VKWRBFIWOGRGKT-HSZRJFAPSA-N 550.437 4.545 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 224657574 RALGYOYOOBJQDT-QFIPXVFZSA-N 539.673 4.525 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 224720689 MPMXEUKIYLYHAV-JOCHJYFZSA-N 656.599 4.892 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 224772569 OLHWJIRKHQTKSK-LJAQVGFWSA-N 577.747 4.550 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 224781624 GSSTXELQBDEGNW-QFIPXVFZSA-N 572.127 4.878 0 40 KJAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 224836233 LBQPEQAJBIXXKD-UHFFFAOYSA-N 531.030 4.988 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O 224867808 LEHLRSHXBJIALK-MHZLTWQESA-N 546.067 4.881 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 224867973 LAHOYDHBQNNLST-UHFFFAOYSA-N 512.481 4.957 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225189367 PSWZQHFVANSVFQ-FGZHOGPDSA-N 602.153 4.885 0 40 KJAB 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CCOc1ccc(N(CCCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260761603 DLRVDGQGLRNLIU-XMMPIXPASA-N 557.757 4.806 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 260778549 IHFVOLIWAQNRBY-LJQANCHMSA-N 584.566 4.943 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)Oc3ccc(C(C)(C)C)cc32)cc1 260832665 LGSDYUDNAOQDFP-HMILPKGGSA-N 566.676 4.598 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 260934371 MANXCWLOZVAAGP-JOCHJYFZSA-N 587.689 4.748 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 260997904 RCVKIYGOIPACDM-AHWVRZQESA-N 549.737 4.873 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 261015737 HQPDNJGXXGJWET-MOPGFXCFSA-N 617.006 4.989 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 261016527 UPVOTGLMDQKPMX-WJOKGBTCSA-N 591.774 4.777 0 40 KJAB 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4.568 0 40 KJAB COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(I)cc2C(C)C)n1C 409351918 XNHNSCLCUBZLGH-UHFFFAOYSA-N 552.438 4.862 0 40 KJAB O=C1CN(Cc2ccccc2N2CCC(O)CC2)CCOCCOc2ccccc2Oc2ccc(Cl)cc2N1 643569364 DZLMYCLJEKVSPA-UHFFFAOYSA-N 552.071 4.943 0 40 KJAB COc1cc2cc(C)c(SCC(=O)Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3)nc2cc1OC 933038 IPZJKCYURDSOFZ-UHFFFAOYSA-N 529.684 4.902 0 40 KJAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccn2)cc1 934064 IAWUZFHNDGVDHZ-UHFFFAOYSA-N 535.691 4.684 0 40 KJAB O=c1c2cc3c(=O)n(-c4ccc(Cl)c(Cl)c4)c(=O)c3cc2c(=O)n1-c1ccc(Cl)c(Cl)c1 2176716 GDYRLLPKTJLUBQ-UHFFFAOYSA-N 506.128 4.504 0 40 KJAB CCOC(=O)c1sc(NC(=O)c2nc3nc(-c4ccc(OC)cc4)cc(C(F)(F)F)n3n2)c(C(=O)OCC)c1C 2761141 KLKSAKDCBIVOTP-UHFFFAOYSA-N 577.541 4.794 0 40 KJAB CCOCCCn1c(SCc2nc3sc(C(=O)O)c(C)c3c(=O)[nH]2)nnc1-c1ccc(Cl)cc1 3448084 RPZQQNYZVYDCEA-UHFFFAOYSA-N 520.036 4.622 0 40 KJAB CC1CCN(C(=O)C[C@@H]2c3nc(NC(=O)c4cccs4)sc3C[C@H]3[C@@]2(C)CC[C@@H](O)[C@@]3(C)CO)CC1 4222499 KMLOLNCLPNEVDK-YFXFORSBSA-N 531.744 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COc1ccc([C@@H](C)NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1OC 20042514 DTYMERLOLVTAGU-QGZVFWFLSA-N 503.020 4.814 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)NCCSCc1cccc(C)c1)S(=O)(=O)c1ccccc1 20061184 PIGMWRYSBOMLLO-UHFFFAOYSA-N 519.088 4.902 0 40 KJAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(Cc2ccc(Cl)cc2)CC1 20083226 PZPRXHQENBTDIO-AREMUKBSSA-N 534.108 4.837 0 40 KJAB CCOc1ccccc1NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 22276334 FFCXCPWETJCWSC-UHFFFAOYSA-N 503.418 4.990 0 40 KJAB CCOC(=O)c1cc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)ccc1Cl 22430177 YNVVYGPIBJAIBG-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB CCCCCCn1c(SCC2=C(C(=O)OCC)[C@@H](c3ccco3)NC(=O)N2)nc2ccccc2c1=O 24013586 XNMCBSDHMUGTGN-JOCHJYFZSA-N 510.616 4.533 0 40 KJAB CC(C)c1ccc(OCC(=O)NC(=S)Nc2cc(Br)c(O)c(Br)c2)cc1 32116710 RAYCIVHFXJXLAH-UHFFFAOYSA-N 502.228 4.933 0 40 KJAB CCOc1ccc([C@@H](CNC(=O)C[C@@H](NC(N)=O)c2ccccc2C)c2c[nH]c3ccccc23)cc1OC 32796183 LKVHKDWSGIPRCW-ZEQKJWHPSA-N 514.626 4.931 0 40 KJAB Cc1oc2c(C)c3oc(=O)c(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4ccccc4)C(=O)O)c(C)c3cc2c1C 38139908 OQKBDUNSLJADCU-UIOOFZCWSA-N 560.647 4.658 0 40 KJAB biogenic CCC1=NN(c2ccccc2)C(=O)C12[C@@]1(C(=O)N(c3ccccc3)N=C1C)[C@]21C(=O)N(c2ccccc2)N=C1C 59662916 YAZMLIROHCYRTJ-KYJUHHDHSA-N 530.588 4.617 0 40 KJAB O=S1(=O)C[C@H]2N=C(SCc3ccc(Br)cc3F)N(c3ccc(Br)cc3F)[C@H]2C1 59671468 GHVKZSUEYYZBLO-WBVHZDCISA-N 552.260 4.765 0 40 KJAB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)cc2)C(C(=O)OC)=C(C)N=3)cc1 97947541 ZAEVQJBCNQVGRT-WGJPBTIMSA-N 634.714 4.585 0 40 KJAB COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)c1 97955787 LQOZLPOWRIIDBC-VABKMULXSA-N 509.356 4.517 0 40 KJAB O=C1[C@@H]2CC(c3ccccc3)=C3[C@H]4C=C[C@H]([C@H]5C(=O)N(c6ccccc6)C(=O)[C@H]45)[C@@H]3[C@H]2C(=O)N1c1ccccc1 98001693 YONVALWGSMMQED-ZPYRHYKOSA-N 526.592 4.888 0 40 KJAB CCOc1ccc(CN(C(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 98047879 NPKZPZCHBGPSSI-FQEVSTJZSA-N 550.077 4.790 0 40 KJAB 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GSHAJDOJOGMUSC-GOSISDBHSA-N 507.494 4.880 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c2cccc(Cl)c2)cc1 224499856 GQNAKUKBNVSNSD-QHCPKHFHSA-N 586.154 4.776 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 224516407 YVEGSRYLLKPDGV-DEOSSOPVSA-N 612.576 4.787 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 224728068 BKSDVKXOASUIFZ-DEOSSOPVSA-N 557.757 4.806 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 224801310 HHJHZAQNQOCLJE-QHCPKHFHSA-N 542.529 4.502 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C)cc2)c1 224859954 JOKHQNKZPALJHB-UHFFFAOYSA-N 524.517 4.745 0 40 KJAB COc1cc(N(Cc2ccc(C(=O)NC[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)c(OC)cc1Cl 224918604 XTFNFHLHGIMFTF-GOSISDBHSA-N 517.047 4.857 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 224924829 QBQRPNWVSDCNQF-PMERELPUSA-N 595.762 4.787 0 40 KJAB 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O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 408593222 NAHZJRZZYLXUNG-UXBLZVDNSA-N 566.123 4.718 0 40 KJAB Cc1ccc(Cl)cc1N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccccc1 408629675 GAWDNVZCHITIJB-DHZHZOJOSA-N 524.086 4.701 0 40 KJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 408656249 IPOFPRIXLXOYHJ-GFCCVEGCSA-N 500.176 4.599 0 40 KJAB COc1ccc(N(CC(=O)Nc2cccc(Cl)c2Cl)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408777921 MAOGFGCNDDMXNG-UHFFFAOYSA-N 525.410 4.853 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5ccc6c(c5)OCO6)c(OC)c4)c(=O)n32)cc1OCC 408938930 SRTNRKWTUIJTAS-PPFQGTDISA-N 723.598 4.894 0 40 KJAB CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1Br 408984736 JPPPBIKGRHRUPD-QMGPDGHTSA-N 677.573 4.649 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409027746 GXIDMPHUCQXRSN-UHFFFAOYSA-N 535.018 4.599 0 40 KJAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(Br)c(OCC(F)(F)F)c(OC)c3)c2=O)=N1 409031941 IDOVLOWNMVSYJF-JAORQVBISA-N 611.436 4.511 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(I)cc(I)c3OC(C)C)c2=O)=N1 409042112 XNVORCFFBQSHGS-PZDOZLBDSA-N 714.363 4.795 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(F)c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409049010 PQPMFCHMEHGMKR-PMYQURGISA-N 704.773 4.866 0 40 KJAB CCOc1cc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=S)N2CC(=O)OC)ccc1OCc1cccc(F)c1 409059939 SPRBMBBPHVNZEB-IWIPYMOSSA-N 550.608 4.960 0 40 KJAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)c(I)c2)C1=O 409090520 QZIKSLUPIJQJET-NNLQFVHNSA-N 541.338 4.607 0 40 KJAB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC(C)=O)c(OCC)c3)C2=O)ccc1Cl 409166854 GVUIZKKWIFCESH-SRZZPIQSSA-N 546.985 4.516 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)c2ccccc2)cc1OC 409173576 MBDDKDKUPHSFOW-UHFFFAOYSA-N 509.411 4.522 0 40 KJAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccccc2F)C1=O 409232554 RAKYARNXHNBTHE-FYJGNVAPSA-N 554.372 4.707 0 40 KJAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5cc(C)ccc5C4=C[C@H](c4ccc(OC)cc4)[C@H]3C2=O)cc1 409333338 JBDCVKPCPHIORJ-MUUFRUSVSA-N 509.558 4.924 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc(Br)c3OCC(=O)Nc3ccccc3)C2=O)o1 409398778 GMHZPOGKFIJHLT-GRSHGNNSSA-N 588.798 4.593 0 40 KJAB Cc1cc(OCC(=O)N2CCO[C@]3(CCCCc4ccccc4OCCN(C(C)C)C3=O)C2)cc(C)c1Cl 643555675 AGZWJVOFWBAWNS-SSEXGKCCSA-N 543.104 4.976 0 40 KJAB CN1CC2(CCCCc3ccccc3OCCCC1=O)CCN(C(=O)Cn1ccc(C(F)(F)F)n1)CC2 643563641 IAQJMAZQKLDMEF-UHFFFAOYSA-N 520.596 4.555 0 40 KJAB CC(=O)N1CC[C@H]2CC[C@@H](CN(C(=O)Cn3ccc4ccccc43)Cc3ccccc31)N2Cc1ccncc1 643577245 AUBHXNTUWRPPPM-WDYNHAJCSA-N 521.665 4.855 0 40 KJAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c(S(=O)(=O)N2CCCCC2)c1 3302426 UBYRGGBTYBTVQO-UHFFFAOYSA-N 557.694 4.540 0 40 KJAB O=C(CN1C(=O)[C@@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21)OCC(=O)c1ccc(Cl)cc1 4173742 JTJXYZZEAWJBAJ-SIQOOTDXSA-N 643.715 4.971 0 40 KJAB CC1(C)Cc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCc4ccc5c(c4)OCO5)n32)CO1 8432449 DDHDKKVGYWQGKW-UHFFFAOYSA-N 518.620 4.967 0 40 KJAB CCCOc1ccc(Cc2nn3c(=O)/c(=C/c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)sc3nc2=O)cc1 9479652 YRUXFGDDWKEOJJ-ULJHMMPZSA-N 533.694 4.739 0 40 KJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2)cc1 19937991 AERNGRDPEVCPLX-UHFFFAOYSA-N 528.074 4.510 0 40 KJAB COc1ccc([C@H](C)NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 20011841 NSSABFSOIPMBAI-IBGZPJMESA-N 517.047 4.734 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccc(C)c(Cl)c2)cc1 20060755 BAAXVDJVPIKYJZ-UHFFFAOYSA-N 516.038 4.640 0 40 KJAB COc1ccc(CN(C)C(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1OC 20105197 SRKCRMOQKRTHRP-UHFFFAOYSA-N 503.020 4.596 0 40 KJAB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 22429597 HOYNPBPJQMZXJG-GOSISDBHSA-N 503.020 4.820 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 22522351 FRTBFEHHJLFEND-KRWDZBQOSA-N 516.641 4.941 0 40 KJAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(OC)c1 22831175 HJMXYWUXLOSORD-KPKJPENVSA-N 507.340 4.919 0 40 KJAB O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1Cc1ccc2c(c1)OCO2)Nc1ccc(Br)cc1 33358354 VTCCOPDZUWCGLX-HXUWFJFHSA-N 538.423 4.709 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 39755650 WWNQMABOXGGTFL-UHFFFAOYSA-N 509.028 4.587 0 40 KJAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](CC(C)C)C(=O)O)C(=O)N32)cc1 70707609 FFLHZMDDPFCXPO-WGHVJBFBSA-N 580.641 4.889 0 40 KJAB biogenic CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)o2)cc(OCC)c1OCC 97963839 LVCMYRNJIUWTQS-OALUTQOASA-N 572.684 4.852 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2ccc(OC)c(OC)c2)cc1 98000206 QRKDORUFXCXMJO-HSZRJFAPSA-N 565.623 4.551 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 102994334 JMQXKCFOZOFGBP-UHFFFAOYSA-N 578.112 4.966 0 40 KJAB O=C(CSc1nc2ccc(NC(=O)CSC(=S)N3CCOCC3)cc2s1)NCCOc1ccc(Cl)cc1 103774061 GRZLWBDRNMTHGH-UHFFFAOYSA-N 597.209 4.526 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1OC 103881704 IHJKBRFJPJBVMD-ZMTYCLHQSA-N 611.695 4.958 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 108448685 NKQWJACPTYVNIQ-MRHQRFNJSA-N 589.733 4.628 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccccc3)CC2)Cc2ccc(Cl)cc2)c(C)c1 112252899 TZHNVKQFPFJHGY-UHFFFAOYSA-N 540.129 4.801 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc(Br)c1OCC 214479070 ZHBBJPKSUYZALK-LDADJPATSA-N 505.390 4.922 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 222686446 HCUCRJVPDDPXOR-NDEPHWFRSA-N 614.606 4.998 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 222944367 CSUKLHMRFNZSBG-HXUWFJFHSA-N 546.064 4.536 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 223029409 CLYNZQUAMITYHP-QHCPKHFHSA-N 565.736 4.785 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 223047211 ULMZOPJRQDYCSO-HXUWFJFHSA-N 590.515 4.645 0 40 KJAB CCCSc1nnc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)s1 223120960 QVHNKKRRNOYTTC-UHFFFAOYSA-N 513.066 4.536 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223215001 WWGVPWDOIHVQTP-INIZCTEOSA-N 548.920 4.746 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 223292978 CAYAIYRWDKNNSG-MHZLTWQESA-N 595.762 4.930 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 223397903 VCDTUABRCDBCHL-RUZDIDTESA-N 544.117 4.836 0 40 KJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223542011 AQFVTSUYYORRNN-QHCPKHFHSA-N 616.180 4.929 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223661980 JNNAIGKQLKLLAQ-MUUNZHRXSA-N 595.762 4.931 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2C(C)C)c2ccc(F)cc2)cc1 223766120 IYTKOUKDDYWRFC-UHFFFAOYSA-N 514.619 4.738 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 223814530 YPPOPJAMOZAQON-HHHXNRCGSA-N 597.709 4.516 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223817259 JUXORNRCFFXGJQ-MRXNPFEDSA-N 560.931 4.889 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c(C)c1 223913769 CWQJSPCNNQAAJO-IBGZPJMESA-N 554.540 4.852 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 223927674 KBEAMOPFNDPWPG-SFHVURJKSA-N 566.482 4.881 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 223936362 HIEWICBVKDRKQH-QFIPXVFZSA-N 586.552 4.896 0 40 KJAB 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519.088 4.902 0 40 KJAB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCCc1ccc(Cl)cc1 22278985 OBRGJZWAVQDFLS-UHFFFAOYSA-N 507.837 4.657 0 40 KJAB COc1ccccc1CN(C)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 22431328 NFJRRQHXIDAWHM-UHFFFAOYSA-N 506.546 4.876 0 40 KJAB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)Cc4ccc(Cl)cc4)cc3)CC2)cc1 22831074 CRNLXONDBLGNRX-UHFFFAOYSA-N 507.059 4.667 0 40 KJAB CCOc1ccc(CN(C[C@H]2CCCO2)[C@@H](c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2C(C)(C)C)cc1 33936817 ZDFHICPNSDKIFD-SQHAQQRYSA-N 530.673 4.747 0 40 KJAB CCCSc1ncc(Br)c(C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(Cl)cc2)n1 46087000 XUDKTWOYOKKOOF-HNNXBMFYSA-N 517.902 4.885 0 40 KJAB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc(Cl)c1O 59513160 DVGGLVWTLIQCRF-ZDGAQAAHSA-N 518.997 4.825 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1)S(=O)(=O)c1ccccc1 59888701 DNDBMUYMQBIWKS-UHFFFAOYSA-N 595.699 4.729 0 40 KJAB Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](Cc4ccc(Cl)cc4)C(=O)NCCCC(=O)O)c(C)c3cc2c1C 70707004 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CCOC(=O)C1=C(CSc2nc3sc(CC)cc3c(=O)n2-c2ccccc2)NC(=O)N[C@H]1c1ccco1 102220280 BBAHIKXTDYQDRO-NRFANRHFSA-N 536.635 4.566 0 40 KJAB CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccccc3OC)C(=O)N12)C(=O)Nc1cccc(OC)c1 102746961 TXPTYNUZELKNJO-AOYPEHQESA-N 585.686 4.519 0 40 KJAB COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2N=N[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@@H]32)cc1 102831146 NVFYLAFUQXQLPM-KJYTXNCISA-N 615.488 4.746 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]3[C@H]3c4ccccc4C=CN23)cc1Br 102888915 ONBSCIKRBVPWBV-CWTOASCOSA-N 587.426 4.781 0 40 KJAB O=C(NCCc1ccccc1Cl)/C(=C/c1ccc(SC(=S)N2CCOCC2)o1)NC(=O)c1ccccc1 113562112 JEOUQSFCMMGLCR-NKFKGCMQSA-N 556.109 4.772 0 40 KJAB O=C1[C@H]2N=NN(CC(=O)N3N=C(c4ccc(Br)cc4)C[C@@H]3c3ccccc3)[C@H]2C(=O)N1c1c(F)c(F)cc(F)c1F 150387057 LOFWZMFPNNZYQC-HFRGRHLUSA-N 629.368 4.677 0 40 KJAB COc1cc([Sn](C)(C)C)sc1-c1sc([Sn](C)(C)C)cc1OC 201957525 RRHBTHWWTOYMNQ-UHFFFAOYSA-N 551.938 4.584 0 40 KJAB C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1)c1ccccc1 222858066 QFFJTFVEJPGUGA-GOXGLGGOSA-N 597.737 4.812 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 223120052 NSFNTXUVVFZJND-XMMPIXPASA-N 581.735 4.541 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 223333113 PASWSGAQWQSLHF-PDDLMNHVSA-N 563.764 4.933 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 223333510 ZARDPHHDLPQOAI-NEKDWFFYSA-N 570.155 4.969 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCCO2 223403808 WFTVHRFRIPPTIH-VWLOTQADSA-N 507.030 4.820 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 223664861 KRGHRALUHIZHIQ-JOCHJYFZSA-N 542.101 4.706 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 223702781 BIXCSMNVMUVRBP-VWLOTQADSA-N 580.509 4.675 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 223714290 MZAJDHSTPQVYGD-VWLOTQADSA-N 529.747 4.614 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 223804425 DQRWPPMTKLOGRX-JOCHJYFZSA-N 542.529 4.792 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)[C@@H](C)C(=O)NC2CCCC2)c1 223804523 FWXYIIDDTZHHCO-QHCPKHFHSA-N 609.720 4.577 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 223952049 OGQXLQQKASEJOG-NDEPHWFRSA-N 569.699 4.753 0 40 KJAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 224058691 UFNJIIVSRNKWBJ-HXUWFJFHSA-N 562.519 4.785 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 224417364 SXNKJTSPTGRYTJ-LJQANCHMSA-N 564.535 4.957 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 224458185 AMQBYDUJXNVEAX-DEOSSOPVSA-N 565.736 4.642 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 224652035 XHBCOQDEUUBMQM-NDEPHWFRSA-N 593.746 4.541 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)c1 224710736 YVUVVIWIZIVTEZ-NRFANRHFSA-N 632.577 4.604 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 224713745 IVWPTVYBTHBBST-QFIPXVFZSA-N 616.578 4.903 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](CC)C(=O)NCC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 224925483 DKWKSFLCGXRMQY-PMERELPUSA-N 655.814 4.886 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 224931195 BIMOVYKQZGKJCX-MRXNPFEDSA-N 593.371 4.774 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 224995005 KBUITSSVCFQSTF-NHCUHLMSSA-N 522.111 4.527 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 225124947 PQOBZZYLRNYSMT-NHCUHLMSSA-N 522.111 4.527 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 225135533 FHRLYLGQRMVQIH-HHHXNRCGSA-N 535.710 4.832 0 40 KJAB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C[C@@H]2CCCO2)cc1OC 225182639 SDGMCILSCDLXOI-RRWZXMNXSA-N 505.644 4.596 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 225220573 DHDUTKNWNIDSDB-QFIPXVFZSA-N 580.589 4.946 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)ccc1OC 225308293 CCCOLONRDOAQHO-SVBPBHIXSA-N 513.623 4.643 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O 225327761 COVLJYIMVDYTMC-PMERELPUSA-N 563.764 4.880 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 225398004 GHDFOWTWLYGRNR-PMERELPUSA-N 579.738 4.989 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 225504873 LNKNBJGYLIULOI-DEOSSOPVSA-N 535.710 4.695 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 225683864 DWPYSYHDGSQIGH-IVZQSRNASA-N 564.482 4.760 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCSc1nc(-c2ccccc2)n[nH]1)c1ccc(C)c(Cl)c1 226058228 XSYOWIIBAUZCIQ-UHFFFAOYSA-N 586.139 4.854 0 40 KJAB COC(=O)[C@@H]1[C@H](C)[C@H](OC)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H]1C 242437336 BZOQTGADCSFWHV-VCQMAEJUSA-N 697.778 4.612 0 40 KJAB Cc1c(Cl)cccc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O 260776903 YCWCDRALFWFDAM-MRXNPFEDSA-N 548.920 4.663 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1Cl 260839512 AMLVRAGXIXBYKX-MUUNZHRXSA-N 570.155 4.888 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 260902831 FCCCNBZXMMXYKE-BJKOFHAPSA-N 641.787 4.638 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 261001336 RTMSIEPZBHRVID-CVDCTZTESA-N 541.636 4.502 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 261050126 LRCGZBIPAPTSMX-DCFHFQCYSA-N 592.108 4.939 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1OC 261072991 QAXHWFTUFMMVKL-JOCHJYFZSA-N 599.725 4.679 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 261098089 VJROYSTXDXVHDV-SFTDATJTSA-N 566.562 4.636 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 261098106 VJVMESFVLMQZJM-ZEQRLZLVSA-N 553.700 4.970 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 261109012 XNBKSLHYTAIVPU-UXHICEINSA-N 525.646 4.600 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)c2ccc(C)cc2C)cc1 408622042 AGODZJYFRVZKHX-UHFFFAOYSA-N 542.661 4.771 0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)cc1C 408629711 GRZSTXLNTYMQOW-UHFFFAOYSA-N 505.640 4.764 0 40 KJAB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)cc1 408642788 FEQRPXIJPXPKEN-WIJPHRNOSA-N 607.084 4.853 0 40 KJAB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 408643046 ONYBVCNSVZOBLQ-MKPIBJHKSA-N 509.389 4.675 0 40 KJAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1 408691372 ZNMNMMSNRHFMPY-MTFBUDRBSA-N 564.638 4.678 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408769778 OUHYFVURHMYNKM-QJWUKVPRSA-N 651.963 4.639 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Br)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408857189 JWZHRIADCLIQLM-NQUDRAQSSA-N 586.689 4.570 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC(C)C)c3)c(=O)n2[C@@H]1c1cccs1 408910397 ICFUKZWGLUEMLP-LMTOTAIGSA-N 530.671 4.784 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)c(O)c(I)c4)c(=O)n32)cc1 409041648 AXUDAIXVSNRJOP-PZDOZLBDSA-N 683.362 4.658 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2F)Cc2ccccc2F)cc1 409072657 REDMSSVKKQMLJY-UHFFFAOYSA-N 509.372 4.865 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccccc4)c3)c(=O)n2[C@@H]1c1ccccc1OC 409103569 CJWQTIIFVGXPGE-JUNLCRQGSA-N 567.711 4.691 0 40 KJAB CCc1cccc2c(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cn(CC(=O)NC[C@H]3CCCO3)c12 409134800 QECIWLCSHGOABF-IHQWOVMBSA-N 521.614 4.875 0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 409149242 ZPRVXKUCVPKSIX-UHFFFAOYSA-N 517.607 4.660 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)o3)c2=O)=N1 409149460 GXHFEOVHBCIBAJ-CINCIDGWSA-N 590.727 4.738 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc(Br)c1OCC 409151981 IKVAGJJHMJSHLE-XDHOZWIPSA-N 535.416 4.930 0 40 KJAB Cc1cccc(NC(=O)Cn2cc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)c3ccccc32)c1 409382250 ZMISOBKDVMGNAM-IWIPYMOSSA-N 516.623 4.637 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)Cc2ccccc2)cc1C 409390903 WFYCTTFVKNUICA-UHFFFAOYSA-N 506.668 4.676 0 40 KJAB CN1CCCCN(S(=O)(=O)c2ccc(Br)cc2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643561950 FUWONKMLXLZSRO-GGAORHGYSA-N 521.477 4.696 0 40 KJAB COc1ccc(C[C@@](C)(NC(=O)c2ccccc2)C(=O)N(C2CCCCC2)[C@@H](Cc2ccccc2)C(N)=O)cc1 1570003532 ZRWZJMYEUKZUCH-RYCFQHDISA-N 541.692 4.684 0 40 KJAB O=S(=O)(Nc1ccccc1NS(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 662709 YWIBPGXVIBHHMR-UHFFFAOYSA-N 546.262 4.813 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccccc1OC)Cc1cc2c(C)cc(C)cc2[nH]c1=O 1375360 IDXLUUDGBKDWFC-SANMLTNESA-N 512.614 4.935 0 40 KJAB CCCCCC(=O)Nc1nc2c(s1)C[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)Nc1cccc(O)c1 4237042 RNQGIIPLQFNEAM-JEPPUSMKSA-N 529.703 4.812 0 40 KJAB biogenic,in-vitro COc1ccc(-c2nnn(CC(=O)N(CCc3ccc(OC)c(OC)c3)[C@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)cc1 7060528 PPPQFLTWASHJDG-YTTGMZPUSA-N 630.721 4.767 0 40 KJAB COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc1 8454971 XACVTFMMJJSWFJ-RZDMPUFOSA-N 571.037 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CC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O 1375357 PBGJZPYQUGNOGK-RUZDIDTESA-N 526.597 4.655 0 40 KJAB CC(C)OC(=O)c1cccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)c1 1953571 JLSXSBAFUIXGIX-UHFFFAOYSA-N 517.969 4.935 0 40 KJAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)OCC(=O)Nc2ccc(OC)c(OC)c2)cc1 3248972 JSSNZOLDBVPCQH-LFIBNONCSA-N 513.550 4.760 0 40 KJAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 3296815 IPLJOTHRASADJO-UHFFFAOYSA-N 544.702 4.701 0 40 KJAB C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(NC(=O)c3c(F)cccc3F)nc1[C@H]2CC(=O)NCc1ccc2c(c1)OCO2 4222405 WNUWIOOSOOIGTD-TXBNLYRQSA-N 613.683 4.524 0 40 KJAB biogenic,in-vitro CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc5c(c4)OCCO5)cc3n2)cc1 8894487 XRXILJJEXYSVQY-UHFFFAOYSA-N 501.612 4.970 0 40 KJAB O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc(I)cc1 9309534 LYHIYOCPBLAYTP-UHFFFAOYSA-N 513.364 4.665 0 40 KJAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc(OCc3ccc(F)cc3)c2)c1 9892448 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CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3\C(=O)N(Cc4ccccc4)c4ccccc43)c(=O)n2[C@@H]1c1ccccc1 409119346 WIGTUHBTEFRBNJ-MYPJSEQNSA-N 597.696 4.853 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(I)c1OCc1ccc(I)cc1 409147002 LZRPLLPCXISMHC-RQZCQDPDSA-N 665.243 4.994 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 409171686 FBDXPJNCRPHHRT-UHFFFAOYSA-N 501.413 4.912 0 40 KJAB CCCN1C(=O)S/C(=C/c2cc(OC)c(OCC(=O)Nc3ccccc3)cc2Br)C1=O 409230573 ZMNSAFLKLBZXIH-YBFXNURJSA-N 505.390 4.922 0 40 KJAB C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)n1C 409350986 WRTXAIFNSLEVIO-IBGZPJMESA-N 588.759 4.907 0 40 KJAB CC(C)CN1CCCN(C(=O)CC[C@H]2CCCO2)Cc2cc(F)ccc2N(C(=O)c2cccnc2)CCC1 643573147 TZSRCUYNJMFKFT-HHHXNRCGSA-N 524.681 4.907 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2cccc(C)c2C)cc1 661273 LSFOSMPLEHWLCN-UHFFFAOYSA-N 555.722 4.620 0 40 KJAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1cc(C)c(C)cc1Br 686476 HIVXAAFARGXIJP-UHFFFAOYSA-N 516.465 4.647 0 40 KJAB COc1ccc2cc(CN(Cc3ccccc3)C(=S)NCCc3ccc(OC)c(OC)c3)c(=O)[nH]c2c1 879625 BONOKRNHAWOUPG-UHFFFAOYSA-N 517.651 4.673 0 40 KJAB COc1ccc(CCN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1OC 933307 HUYRTXHDCILUCO-UHFFFAOYSA-N 572.749 4.667 0 40 KJAB COc1ccc([C@H](C(=O)Nc2ccc3c(c2)OCO3)N(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)cc1 1419166 ADUINEGXCJCLMA-SSEXGKCCSA-N 567.577 4.717 0 40 KJAB COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](Cc4c[nH]c5ccccc45)C(=O)N23)c(OC)c1 2964335 YCFULAITTHJYKY-XMMPIXPASA-N 539.617 4.758 0 40 KJAB COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2cccc(Br)c2)cc1 3338228 JDAIZHZLOFABPN-NTEUORMPSA-N 509.356 4.905 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)c1 6089618 KJZPCZSBJQYZTR-UHFFFAOYSA-N 548.621 4.868 0 40 KJAB CCOc1cc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(OC)c2)cc(OCC)c1OCC 10000343 SWCRUHYWDZGLIA-UHFFFAOYSA-N 504.539 4.944 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(C)cc1)N(C(=O)CNC(=O)c1cccs1)c1ccc2c(c1)OCO2 12488956 QUAQBXQDYNQVHG-RUZDIDTESA-N 521.639 4.594 0 40 KJAB C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)C(=O)OC(C)(C)C 12680541 GXFFWYHTMLFJPF-UTKZUKDTSA-N 531.115 4.548 0 40 KJAB CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)CC)c2ccc(O)cc2)cc1 13032330 TWXFKPAOBIWJRN-HHHXNRCGSA-N 515.614 4.615 0 40 KJAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 14019095 XUESVJVNSFKRTQ-GOSISDBHSA-N 500.979 4.750 0 40 KJAB O=C(N[C@@H]1CCCc2ccccc21)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 19931040 GIJDFQDLKTZNSX-DNQXCXABSA-N 513.457 4.533 0 40 KJAB COc1ccc([C@@H](C)NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 22233320 PRJCKTPOZXFTGS-GOSISDBHSA-N 503.020 4.571 0 40 KJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(I)o3)C2=O)cc1Cl 33482948 MYTLTMRRCBHZSG-QPEQYQDCSA-N 502.717 4.521 0 40 KJAB CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)ccc1Cl 38140490 HXFRQMAAIGNPOJ-UHFFFAOYSA-N 536.123 4.847 0 40 KJAB Cc1oc2c(C)c3oc(=O)c(CC(=O)N[C@H](C(=O)N[C@@H](CSCc4ccccc4)C(=O)O)C(C)C)c(C)c3cc2c1C 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Fc1ccccc1[C@@H](c1nnnn1CCc1ccccc1)N1CCN([C@@H](c2ccccc2F)c2nnnn2CCc2ccccc2)CC1 150386037 JUJIZJNJRCMDOC-HEVIKAOCSA-N 646.750 4.920 0 40 KJAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@@H]([C@@H]5C(=O)N(c6ccc(Cl)cc6)C(=O)[C@H]54)[C@@H]32)cc1OC 169699193 UPYYFINRDNCBPX-GPCRNXKPSA-N 555.077 4.785 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1cc(C)ccc1C 222630151 DHNQQBRUBIXNQM-XMMPIXPASA-N 509.444 4.831 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 222633837 JTRWTTQEFZVSMN-NRFANRHFSA-N 572.127 4.876 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222733642 RZUGTMOFWFTGBG-MHZLTWQESA-N 592.108 4.797 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 222746074 PEGJJLDVJXZOLB-HSZRJFAPSA-N 542.529 4.726 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 222920640 DVLGFOSVPKTUQI-MUUNZHRXSA-N 595.762 4.582 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223068494 ZSDCJUZGNKEPKE-RUZDIDTESA-N 625.788 4.940 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 223107267 PBPREWKFQDPYSR-DEOSSOPVSA-N 553.700 4.971 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223209165 OSRTXYHGRKKOFY-MRXNPFEDSA-N 548.920 4.746 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 223219069 IJSFZGGKJSIUMS-VWLOTQADSA-N 529.747 4.880 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 223427975 GPRIIICOGXCPCI-VWLOTQADSA-N 565.736 4.841 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223626572 WENHKTPGWDJEKQ-HSZRJFAPSA-N 542.529 4.792 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 223681412 ZBMXPKNIZBJNGL-AREMUKBSSA-N 553.700 4.786 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 223737468 RVXRVYMAOVJNAV-YTTGMZPUSA-N 645.778 4.684 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 223762235 AOHQSSRGIZJJPF-GDLZYMKVSA-N 585.726 4.914 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O 223773894 KMIWSQMOUFSUKE-PMERELPUSA-N 579.763 4.580 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 223803348 GLUZCESGEOEINZ-WXVAWEFUSA-N 640.600 4.929 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 223914041 VYIAWXWDWXAYFL-INIZCTEOSA-N 548.920 4.746 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 224018825 PDLCGGLXUKXWDK-DEOSSOPVSA-N 593.746 4.765 0 40 KJAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 224035720 CQUBUEZYFQJZLR-LJAQVGFWSA-N 549.737 4.957 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224054069 YRCSVKXTTBPCOT-JOCHJYFZSA-N 542.529 4.526 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1C 224115351 XRGWCPVZDPNNQV-SANMLTNESA-N 549.737 4.997 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c2ccccc2F)cc1 224492545 ZLHRCNVMUDFJTR-DEOSSOPVSA-N 553.700 4.561 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 224526545 OULNYZSIBVLWCO-GDLZYMKVSA-N 565.736 4.779 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)COc1ccc(I)cc1 224729013 GYQPRXMCOCEAEC-MRXNPFEDSA-N 585.280 4.909 0 40 KJAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 224879365 BBZFVDJLSGUOCG-MRXNPFEDSA-N 504.992 4.943 0 40 KJAB COc1cccc(OCCNC(=O)c2ccc(CN(c3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)c1 224930251 PWODYAKCFMUXNV-UHFFFAOYSA-N 523.438 4.777 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 224982852 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40 KJAB CC(C)Oc1cccc(CN(CC(=O)O)C(=O)[C@H]2CC[C@H](O)[C@@H](Nc3ccccc3OC(C)C)CC2)c1 257330942 XQSHMCIUOZFCOB-CWDLOFLHSA-N 512.647 4.706 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21)Cc1ccccc1 260737137 JZBGPFQQWAUMQT-SSEXGKCCSA-N 634.154 4.693 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 260821935 WVMLBTJCRKYJRX-XMMPIXPASA-N 593.746 4.684 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 260893648 MGPNEFDZPONFPV-OAQYLSRUSA-N 590.117 4.873 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 260899455 OCDOTYSUIFKOPF-OALUTQOASA-N 542.529 4.872 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc4ccccc4c3)Oc3ccc(C)cc32)cc1 260937054 OQRPPJRRKLQRAY-MUUNZHRXSA-N 516.619 4.608 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc(F)c1 260972648 JFSNHHKCYNEFDO-MUUNZHRXSA-N 586.129 4.944 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 260995805 QWFIOQLHCNDQAG-HSZRJFAPSA-N 521.683 4.522 0 40 KJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc(C(=O)O)o4)c4ccccc34)C2=O)c1 408542330 KTJMCQHIPABUNN-FMCGGJTJSA-N 515.547 4.964 0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 408549543 ZSFPMBMLHQUTJU-UHFFFAOYSA-N 514.047 4.868 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)ccc2C)c1 408602250 CVGAONAMXIFSRV-UHFFFAOYSA-N 528.634 4.990 0 40 KJAB CCCC[C@H](C(=O)OCC(=O)Nc1ccc(F)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408683477 IDLOCDVTLSPAQN-UZNKMTRFSA-N 540.591 4.758 0 40 KJAB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccc(Oc5ccccc5)cc4)cc3)C(=O)[C@H]12 408687517 OYOVQTPNQYWBCZ-DSSGHVNRSA-N 510.546 4.976 0 40 KJAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)Nc1ccc(Br)cc1Cl 408688747 XGYVKKKVGYEFLV-UHFFFAOYSA-N 519.779 4.827 0 40 KJAB Cc1cc(NC(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c(C)cc1Br 408689047 XVBIOGVOKQEKNA-OBGRCSDXSA-N 587.470 4.828 0 40 KJAB CCCC[C@@H](C(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1C)N1C(=O)c2ccccc2C1=O 408690297 UVAGFKQTFQCZPC-SFHVURJKSA-N 521.795 4.748 0 40 KJAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)S(C)(=O)=O)cc1Cl 408711403 SCGSYNCGCHCWSH-MRXNPFEDSA-N 586.519 4.904 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O[C@@H](C)CC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1Cl 408824039 GQLURQLKNCOORM-LXGNNQEOSA-N 541.069 4.638 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)c(=O)n2[C@@H]1c1cccs1 408862933 NSXMAUOXWVDBTM-AQIZGWBQSA-N 639.549 4.900 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccco2)c2cccc(Br)c2)cc1 408924335 GWXXQOZHSOJMGZ-UHFFFAOYSA-N 523.474 4.595 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5cccc(F)c5)c(OC)c4)c(=O)n32)cc1OCC 408935242 NBEJHFHOMWIEOB-SXSMZTLPSA-N 618.683 4.542 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCC)c(=O)n2[C@H]1c1ccc(Cl)cc1 408988201 RHJDGYPJQFBFFR-HCWVEKLQSA-N 575.086 4.996 0 40 KJAB CCOC(=O)COc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OC)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 408990243 WKTPNLQQTOKMKJ-KICLSGDVSA-N 633.122 4.540 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Br)cc(I)c4O)c(=O)n32)c(OC)c1 409051129 AITCGCZEHRRPEO-WLPTYJMBSA-N 732.394 4.964 0 40 KJAB CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)O)cc3)N(CC(=O)OC)C2=S)cc1 409058234 JOUOQYWLMPLZTQ-JLPGSUDCSA-N 530.602 4.674 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409091875 SUXZYYSLJTTXOJ-SPVXFMEISA-N 743.414 4.590 0 40 KJAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)C1=O 409109219 ZUXUJJNEWVTFOT-SGEFVQMOSA-N 524.364 4.774 0 40 KJAB COCCCNC(=O)Cn1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N2C)c2cc(Br)ccc21 409136756 VETROHIXNOOHAW-UUYOSTAYSA-N 575.916 4.814 0 40 KJAB CCc1cccc2c(/C=C3\SC(=O)N(CCOc4ccccc4)C3=O)cn(CC(=O)NC[C@@H]3CCCO3)c12 409140434 FFWGQHBMWFBYEO-NAZSJVEXSA-N 533.650 4.614 0 40 KJAB COc1ccccc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n1 409167146 HOFZAOGUKRYDHX-LJQANCHMSA-N 508.431 4.978 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc(I)c1O 409170188 UNZPNHXENAGLMA-RQZCQDPDSA-N 570.430 4.792 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc(I)c1OCC(=O)OC 409171788 GTXRSWOHBRVWDJ-YBFXNURJSA-N 624.453 4.534 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccccc3)C(C)C)n2C)sc2c1CCCC2 409349642 RAKBAHWEYWRPLK-QFIPXVFZSA-N 555.726 4.790 0 40 KJAB CCc1nccn1CCOc1cc(CN2CCC(O)(COc3cc(C)ccc3Cl)CC2)ccc1OC 585270088 BSGODAUDFROVQZ-UHFFFAOYSA-N 514.066 4.901 0 40 KJAB COc1cc(CN2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)ccc1OCCn1cc(C)cn1 585271136 KAMIIHJGNNJEBY-UHFFFAOYSA-N 514.066 4.955 0 40 KJAB Cc1ccc(C(=O)N2CCC3(CCCCOCCNC(=O)c4ccccc4OC3)CC2)cc1N1CCCC1 643563966 OWJMFLOYKISMNT-UHFFFAOYSA-N 519.686 4.827 0 40 KJAB COCC(=O)N1CCCN(Cc2ccc(Cl)cc2)CCCN(C(=O)CC[C@H]2CCCO2)Cc2ccccc21 643572071 XUVSJKXQNSJBHI-HHHXNRCGSA-N 542.120 4.903 0 40 KJAB COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)[C@H]2COc3ccccc3O2)cc1 888229 FJIBBUFLHYVSIP-VSGBNLITSA-N 500.595 4.664 0 40 KJAB O=C(CC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 1401415 HZLNJSFSDXPGLB-UHFFFAOYSA-N 530.283 4.688 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 1818246 BTZCLQCJOYYJPV-QCHPHUCNSA-N 525.413 4.975 0 40 KJAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc(Br)c3)N2C(=O)CN1Cc1ccc(F)cc1 2123402 NVHZFUWKBALLJX-OZXSUGGESA-N 518.386 4.955 0 40 KJAB biogenic COc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nc3sc4c(c3c2=O)CC(C)(C)OC4)cc1 2245686 JBXCISLYVHUJCJ-UHFFFAOYSA-N 535.691 4.758 0 40 KJAB CCOC(=O)c1c(NC(=O)COc2cccc3c2CCN(Cc2cccc(C)c2)C3=O)sc2c1CCC2 2716559 GIUTZLBZIBXZPF-UHFFFAOYSA-N 518.635 4.938 0 40 KJAB O=C(COc1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1)NC1CCCCC1 3628453 ZXGZFIHITKPSKC-NDEPHWFRSA-N 505.640 4.830 0 40 KJAB CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)c1 5948418 DOXMSOZESMJAIV-UHFFFAOYSA-N 546.693 4.882 0 40 KJAB COc1ccc(NC(=O)[C@@H](c2ccc3c(c2)OCO3)N(Cc2ccc(C)cc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 8713374 SBTXVYNGHUEDNU-WJOKGBTCSA-N 591.620 4.670 0 40 KJAB COc1cc(NC(=O)CSc2[nH]c(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)cc(OC)c1 12112490 QLVLMSUYTBLRDZ-UHFFFAOYSA-N 509.609 4.658 0 40 KJAB Cc1c(Br)c(NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)nn1Cc1ccc(Cl)cc1 12372259 JHCRHFSHLKYDFE-UHFFFAOYSA-N 508.644 4.840 0 40 KJAB CCc1ccc(-c2csc(NC(=O)[C@H](C)Sc3nc4cc(S(N)(=O)=O)ccc4n3CC)n2)cc1 12617570 JESPPOPOXUTFAK-AWEZNQCLSA-N 515.686 4.509 0 40 KJAB Cc1c(CC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(=O)oc2c(C)c(O)ccc12 13624081 UQFXXEHHNACKHM-UHFFFAOYSA-N 518.560 4.870 0 40 KJAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1c(Br)cc(Br)cc1C(=O)O 16401339 XXKNYURSSZKIQX-UHFFFAOYSA-N 506.603 4.619 0 40 KJAB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)N[C@H](C)c1ccc(Br)cc1 20022303 DPXYOIFRZYHSKA-QGZVFWFLSA-N 503.418 4.815 0 40 KJAB COc1ccc(N(CC(=O)NCCSCc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 20060676 GHIIMBDQPMNFSD-UHFFFAOYSA-N 528.696 4.566 0 40 KJAB CCS(=O)(=O)c1ncc(N(Cc2ccc(C)cc2)Cc2ccco2)c(C(=O)Nc2ccccc2F)n1 27793125 XZAZGHVQVSOKPY-UHFFFAOYSA-N 508.575 4.770 0 40 KJAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 41128063 WXBMGCCSWQLWKZ-LJAQVGFWSA-N 517.004 4.637 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)C)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 59677874 UMCCHCUGOXUQDX-SJJVXOANSA-N 504.652 4.709 0 40 KJAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1 70686664 NOJZRBHTPMQHAI-NSOVKSMOSA-N 578.754 4.839 0 40 KJAB biogenic CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2cc(Br)ccc2OC)c1 97948371 ZNOSXRZPSGMRFI-UHFFFAOYSA-N 566.452 4.849 0 40 KJAB C[C@@H](Cc1ccccc1)NC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCCC4 97952361 AKCNGXJTVVIJBV-SFHVURJKSA-N 529.691 4.813 0 40 KJAB O=C(COc1ccc(Cl)cc1Cl)NCc1nnc(SCC(=O)Nc2nccs2)n1-c1ccc(F)cc1 97961631 MLYMQPZIZLVYBM-UHFFFAOYSA-N 567.455 4.596 0 40 KJAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2NC(=O)c2ccc(Br)cc2)c(C)c1 98006015 CHQARMVXHUCGMX-HSZRJFAPSA-N 565.493 4.737 0 40 KJAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1OC 100095274 BYBIPZYTAIRECT-UHFFFAOYSA-N 565.673 4.791 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1OC)N(C(=O)CCC(=O)Nc1cc(C)on1)c1ccc2c(c1)OCO2 100415997 CREOMBXKAMTMGP-MHZLTWQESA-N 580.638 4.527 0 40 KJAB COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@H]3C2=O)sc2c1CCCC2 100766318 GOSDQROTNDDOBF-SGNDLWITSA-N 502.592 4.773 0 40 KJAB Cc1c(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)sc2nc(Cc3ccccc3)[nH]c(=O)c12 100788244 YAHHNDQVYSWYFG-UHFFFAOYSA-N 547.990 4.913 0 40 KJAB CC(C)[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 101606707 GVFOAYGGUFXSIM-IDCDSMMUSA-N 545.426 4.683 0 40 KJAB O=C(COC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1C(F)(F)F)Nc1ccc(F)c(Cl)c1 102994435 VKVZCPSVHFKCNE-NRFANRHFSA-N 570.948 4.795 0 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20235768 ROLKZOLITIYVPW-UHFFFAOYSA-N 523.438 4.831 0 40 KJAB COc1cccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccc(F)cc2)C(=O)CCC(=O)Nc2cc(C)on2)c1OC 38146010 JWOBERYSKOSMOD-SANMLTNESA-N 554.619 4.543 0 40 KJAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@]32C(=O)Nc3ccc(Br)cc32)cc1OC 40487513 STRYJZHDJLNWCH-CJFMBICVSA-N 506.356 4.815 0 40 KJAB COc1ccc(CN(C)C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 44884352 DUFWRQLCFKPNII-UHFFFAOYSA-N 503.020 4.520 0 40 KJAB O=S1(=O)C[C@H]2N=C(SCc3ccc(Br)cc3F)N(c3ccc(Br)cc3F)[C@@H]2C1 59671470 GHVKZSUEYYZBLO-NVXWUHKLSA-N 552.260 4.765 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 59886964 VSWLCQUPHLZFLK-UHFFFAOYSA-N 579.700 4.947 0 40 KJAB CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C 72130378 XWZZIOGTEIOOAN-QHCPKHFHSA-N 564.720 4.779 0 40 KJAB in-vitro C[C@H](CCC(=O)NCCc1ccccc1)[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 72325435 FTZQMPSBOOYHQC-QVNHKTGWSA-N 511.747 4.723 0 40 KJAB biogenic COc1ccc(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2-c2ccc(Br)cc2)cc1 97961610 FYFQARSYTHWGJU-UHFFFAOYSA-N 566.481 4.628 0 40 KJAB CCOc1cccc(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c1 100082180 NIBGJCXPKHIGNZ-UHFFFAOYSA-N 536.391 4.524 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccc(C)cc2)C(=O)Cn2nnc3ccccc32)cc1OC 100364403 GSMVKHLNNPXOBO-LJAQVGFWSA-N 543.668 4.832 0 40 KJAB CCOc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1OC 100366697 IZLMZUTUDWAIKW-LJAQVGFWSA-N 547.631 4.915 0 40 KJAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(c6ccc(Cl)cc6)C(=O)[C@H]45)[C@H]23)cc1 100922220 WXYLWLJAXWRNRI-ORBUVVROSA-N 525.051 4.776 0 40 KJAB CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(C)cc4Cl)n(Cc4ccco4)c(=O)c23)C1 101447712 GOGUIAGMHHCILV-UHFFFAOYSA-N 543.070 4.697 0 40 KJAB O=C1[C@@H]2N=NN(CC(=O)N3N=C(c4cccc5ccccc45)C[C@H]3c3ccccc3)[C@H]2C(=O)N1c1ccccc1 102831152 QBICSAQNFIREBY-WIIGKZCBSA-N 528.572 4.511 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1Br 102888913 ONBSCIKRBVPWBV-XDZXDJIYSA-N 587.426 4.781 0 40 KJAB O=C(Cn1nc(-c2ccccc2)oc1=O)OCc1cc(Br)cc2c1O[C@@H](c1ccccc1)OC2 102911454 PZXALWLRESFLNN-DEOSSOPVSA-N 523.339 4.617 0 40 KJAB CCOc1ccc(Nc2nnc(S[C@@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)s2)cc1 103082423 ZLJQIVWNDUHKSR-INIZCTEOSA-N 533.701 4.584 0 40 KJAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@H](NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 104150572 DRALDEYSNGRUOW-PKFHCXLDSA-N 586.800 4.546 0 40 KJAB COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc1O 104656064 RGEDWXUYMDFWNJ-KMBIYUNPSA-N 545.458 4.795 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 109924107 PTJNADHJCAEJJD-MHZLTWQESA-N 539.679 4.871 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3\C(=O)N(Cc4ccccc4)c4ccccc43)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 150493203 ZMUXNGXHKSAULG-HQUPDARDSA-N 641.705 4.581 0 40 KJAB 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225175184 VNNDCOWRCKFDLW-DEOSSOPVSA-N 553.700 4.971 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225199728 HFWWAFACXYJNNW-XMMPIXPASA-N 571.637 4.867 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 225297728 AKWLLKVAFAZIAW-NDEPHWFRSA-N 570.155 4.971 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 225396215 XHDRRIUCMHAWRA-JXBUFBJBSA-N 572.171 4.737 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 225453203 XUPLIGKATRTSEG-MHZLTWQESA-N 614.164 4.781 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)[C@@H](C)C(=O)NC(C)C 225488061 CYGWNRFISCVUHI-NRFANRHFSA-N 560.091 4.925 0 40 KJAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1 225511529 NUFGMVKPIVNFRJ-GOSISDBHSA-N 503.020 4.738 0 40 KJAB COc1ccc(NC(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCCCC1 225678045 QCKKPCKOFYLGPT-UHFFFAOYSA-N 585.748 4.705 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)C2CCCCC2)c(C)c1 226042660 XTNYPEAXWWDAAE-UHFFFAOYSA-N 541.743 4.629 0 40 KJAB O=C(NCc1ccccc1)[C@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)c2ccccc2O1 260752332 YEBREARIQYDVLN-NBGIEHNGSA-N 588.513 4.505 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)c2cc(Cl)ccc2OC)cc1OC 260880370 IJTFBNDUIWCYEW-HSZRJFAPSA-N 646.206 4.793 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 260902616 DYCGUPCVRCNRBD-XMMPIXPASA-N 565.736 4.839 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 260911597 FUBPXMSVBAMAJA-LXFBAYGMSA-N 671.813 4.647 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccccc3C(C)C)Oc3ccc(Cl)cc32)cc1 260941166 RFGYOWZPJOSASK-AREMUKBSSA-N 529.058 4.923 0 40 KJAB CC(=O)c1cccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)c1 260957239 GPJRMKSCIXGLEA-WJOKGBTCSA-N 589.758 4.663 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)c2ccccc2)cc1OC 261004402 SEQJWSJIVUQKAJ-HSZRJFAPSA-N 581.735 4.540 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 261094520 USANILYBPBRBHL-HHHXNRCGSA-N 570.155 4.969 0 40 KJAB Cc1ccc(CN(C(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 261120891 ZEVOYXZOKLIHFF-MUUNZHRXSA-N 607.773 4.825 0 40 KJAB COc1ccc(CN2CCO[C@@]3(CN(Cc4ccc(OC(C)C)cc4)C[C@H]3c3cn(C(C)C)cn3)C2=O)cc1 306136354 PQXNQKSUMRQFQB-QCENPCRXSA-N 532.685 4.657 0 40 KJAB Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCc4ccccc4C)CC3=O)cc2)cc1Cl 408582462 WQXPOSLBBKOOBX-NRFANRHFSA-N 506.002 4.644 0 40 KJAB Cc1c(Cl)cccc1NC(=O)c1cc2cc(Br)ccc2n1NC(=O)C(=O)NCCCOC(C)C 408611279 VQVZVEGWIFNSNP-UHFFFAOYSA-N 549.853 4.619 0 40 KJAB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccco4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408637772 BCPHJRDGMBZFQV-PIPMEXSNSA-N 548.979 4.814 0 40 KJAB CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3cc(Cl)ccc3OC)o2)c(C(=O)OCC)c1C 408639454 XDCCRHGYIJWSAR-UHFFFAOYSA-N 540.019 4.853 0 40 KJAB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccco4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]12 408655902 SBRCRNQAJNYKLW-ZIYZLLSTSA-N 546.963 4.590 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1 408669678 YBXWQQZQWBKYTL-UHFFFAOYSA-N 540.613 4.747 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1C(=O)N1CCCCCC1 408693363 PZKFDWWXIIOUNL-UHFFFAOYSA-N 513.660 4.575 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 408857402 GGASCJPOXVZPIK-QPJBPQEWSA-N 619.095 4.738 0 40 KJAB O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 408921097 SFGOTTRRVYBADW-UHFFFAOYSA-N 522.429 4.677 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCC)c(I)c4)c(=O)n32)cc1OCC 408932170 BKFWQWZHQKFIDQ-HIFDDZRDSA-N 713.388 4.581 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 409003310 ZJQBKTUNQIJMGF-KCQXITDRSA-N 667.534 4.845 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2C)c2cc(Cl)ccc2OC)cc1OC 409025362 PWYLPFLPVNXKEK-UHFFFAOYSA-N 579.140 4.919 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc5c(c4)OCO5)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409041062 JAMVWNIXYUKJPB-SFTGCVBVSA-N 795.661 4.828 0 40 KJAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(Cl)cc3Cl)[C@@H]2c2ccc(Cl)cc2)cc1 409056158 GKTQVCMGNHKJFZ-MFWXTLQRSA-O 503.793 4.672 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Br)OCO4)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409096728 LBKUXBXNMXZYGR-GVZDMDPYSA-N 634.552 4.757 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 409115549 SBFWVKSODRRNFZ-OAQYLSRUSA-N 523.655 4.756 0 40 KJAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cn(CC(=O)NCc3ccco3)c12 409141657 JLCVBMUSZMCITL-CFRMEGHHSA-N 560.607 4.927 0 40 KJAB O=C(COc1ccc(N2C[C@H](C(=O)NCc3ccccc3)CC2=O)cc1)Nc1cc(Cl)cc(Cl)c1 409157384 QOTTTXAVYVQNEZ-GOSISDBHSA-N 512.393 4.680 0 40 KJAB CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1cc(C)c(C)cc1Br 409358064 KBRHCXKHYFIJHI-UHFFFAOYSA-N 536.883 4.992 0 40 KJAB Cc1ccccc1C(=O)N[C@@H](C)c1nnc(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)n1C 409362977 HRTCXLSYSLRNBP-INIZCTEOSA-N 506.657 4.777 0 40 KJAB COC(=O)c1ccc(NC(=O)CSc2nnc([C@@H](CC(C)C)NC(=O)c3ccccc3Cl)n2C)cc1 409364129 WAZUTQHPCHPANF-HXUWFJFHSA-N 530.050 4.503 0 40 KJAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)Nc1ccc(OCc2ccccc2)cc1 409391507 OCBMYEFCLZFKQU-UHFFFAOYSA-N 501.004 4.721 0 40 KJAB COc1cccc(CCc2nc(N3CCc4ccccc4C3)ncc2C(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1 585265271 DTGOXFCLRPDPAH-UHFFFAOYSA-N 563.079 4.605 0 40 KJAB O=C1CCCOc2ccccc2CCCCC2(CCN(C(=O)COc3ccccc3-n3cnnc3C3CC3)CC2)CN1 643562296 PKTUYRXAQPDMDD-UHFFFAOYSA-N 571.722 4.834 0 40 KJAB O=C(O)CCc1ccc2c(c1)CN(Cc1cccc(OCc3ccccc3)c1)CC(=O)NCCCCCO2 643572625 JSUPNEPBDDCBGX-UHFFFAOYSA-N 516.638 4.964 0 40 KJAB COC(=O)c1cc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc(C(=O)OC)c1 679018 CUXPKJCYXPYBNH-UHFFFAOYSA-N 507.351 4.953 0 40 KJAB COc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC(=O)N[C@@H]2CCCC[C@H]2C)cc1 907106 YWDNNOFKLPBNPT-IIBYNOLFSA-N 512.705 4.762 0 40 KJAB COc1ccc(CN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)Cc2nnnn2Cc2ccc(F)cc2)cc1 1372884 SOLXJAACNAXFME-UHFFFAOYSA-N 512.589 4.530 0 40 KJAB CCOc1ccc(CCNC(=O)c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc23)cc1OCC 2250899 JIYPQWYJYUKZLK-UHFFFAOYSA-N 509.610 4.985 0 40 KJAB O=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(Br)c1)c1cccc2nsnc12 2425562 YZVQPSAQKFOCOO-UHFFFAOYSA-N 513.402 4.941 0 40 KJAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2656954 XBLWKSXBLZLKJH-UHFFFAOYSA-N 538.636 4.515 0 40 KJAB CCOC(=O)c1sc(NC(=O)CSc2nnc3c4ccccc4n(CCc4ccccc4)c3n2)nc1C 2746187 MEVWARKWRUKNQX-UHFFFAOYSA-N 532.651 4.895 0 40 KJAB CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(Br)c1OCC(=O)NCc1ccccc1 2748539 XQXYSTGMLMXURP-HMAPJEAMSA-N 535.394 4.888 0 40 KJAB CCOC(=O)Oc1c(OC)cc(C(=O)O[C@@H]2C[C@@H]3CN4CCc5c([nH]c6cc(OC)ccc56)[C@@H]4C[C@@H]3[C@H](C(=O)OC)[C@@H]2OC)cc1OC 3831492 ZCDNRPPFBQDQHR-YRCBCCSTSA-N 666.724 4.698 0 40 KJAB biogenic COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@@H](NCCCn3ccnc3)C[C@@H](c3ccc(F)cc3)N12 8636012 XGOYXCKVXRSDQC-VPIUVCPKSA-N 501.606 4.528 0 40 KJAB biogenic,in-vitro COc1ccc(CNc2nc(NCc3ccc(OC)c(OC)c3)n(C(=O)c3cccc(C)c3)n2)cc1OC 9907551 UPVKMRAONXWCFY-UHFFFAOYSA-N 517.586 4.534 0 40 KJAB CCNc1ccc(C(=O)OCC)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(OCC)cc1 12498563 BHMKUPYLCBGQBC-UHFFFAOYSA-N 511.600 4.747 0 40 KJAB CCN(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCCC1)[C@H]1CCS(=O)(=O)C1 12533047 FMGKTVMQNIGANZ-QFIPXVFZSA-N 518.749 4.876 0 40 KJAB COC(=O)c1cc2cc(NC(=O)CCc3ccc(S(=O)(=O)NCCc4ccccc4)cc3)ccc2s1 20023985 BYEJFPOMBKYWFP-UHFFFAOYSA-N 522.648 4.780 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1C 22247512 ZULNPYBWXDYQMM-CYFREDJKSA-N 501.048 4.814 0 40 KJAB CCOc1cccc2sc(N(CCCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)nc12 38139136 FWMFSKLPPZSMHP-UHFFFAOYSA-N 544.743 4.858 0 40 KJAB COc1cc(-c2nc(Cn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)c(C)o2)cc(OC)c1OC 65331062 JVEQHWLCPXTEDF-UHFFFAOYSA-N 500.555 4.817 0 40 KJAB CCOc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NCc2ccco2)c2ccc(C)cc2)cc1 100413601 SDNXBABNVJMQAJ-HHHXNRCGSA-N 531.634 4.869 0 40 KJAB COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)oc1ccccc12 102900002 NPMDKVYMZNPSPY-AWEZNQCLSA-N 546.985 4.614 0 40 KJAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)nnc2-c2cccnc2)c(C)c1 103103242 VDGSOXSNPKOUSX-UHFFFAOYSA-N 557.101 4.581 0 40 KJAB O=C1C(Cl)=C(Nc2cccc(F)c2)C(=O)N1Cc1cccc(CN2C(=O)C(Cl)=C(Nc3cccc(F)c3)C2=O)c1 103261570 YQVIYAKNPNYHMD-UHFFFAOYSA-N 583.378 4.827 0 40 KJAB N=C(NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 104850729 RDSFVNUCIDKSBE-VWLOTQADSA-N 576.606 4.646 0 40 KJAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 123292889 STCPMHAACLYIJG-WYLCBQGNSA-N 506.680 4.982 0 40 KJAB Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(C)c2c1CC(C)(C)O2 150342597 JNDUTCLFKHLCLK-MUUNZHRXSA-N 648.782 4.900 0 40 KJAB C/C(=N\NC(=O)c1ccc(C(=O)NCc2ccc(C(=O)NCCO)cc2)s1)c1csc(-c2ccc(Br)cc2)c1O 204910265 SOHAFPZIBGBALX-KPGMTVGESA-N 641.569 4.751 0 40 KJAB in-vitro CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 222478537 FOSLUFXEAGLMRF-OAQYLSRUSA-N 562.054 4.765 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(Cl)cc1 222643578 ZRBSGKQXDDCOFJ-QHCPKHFHSA-N 515.835 4.867 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 222698631 DDAZVXNWYXJSHO-QFIPXVFZSA-N 572.555 4.880 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 222725261 MGICHYPFYADXKY-MHZLTWQESA-N 574.118 4.657 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 222726835 QBFCPGVTWJIGOU-MHZLTWQESA-N 605.588 4.609 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)cc2)cc1Cl 222740366 FKBXYSLGMFUTMN-UHFFFAOYSA-N 542.057 4.632 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 222782608 NTXAKRJAIKQUFE-AREMUKBSSA-N 576.546 4.780 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 222850335 VNJHVZTYAWDMIB-YTTGMZPUSA-N 645.778 4.602 0 40 KJAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)cc2)cc1OC 222932092 CUPVERNTJUNTHN-IBGZPJMESA-N 508.640 4.899 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 223008722 RZEBBDSTYKVFMS-RUZDIDTESA-N 595.762 4.850 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 223165018 KLNZQEFYZIAAGY-INIZCTEOSA-N 548.920 4.746 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223651907 OVESGCOFZLMUNF-RUZDIDTESA-N 562.519 4.536 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 223692208 WGDYRTQZGCEWQK-QFIPXVFZSA-N 542.101 4.706 0 40 KJAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 224072597 XBQSUJVSSJAGEH-QHCPKHFHSA-N 556.128 4.748 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1 224128798 YMEYLHSAODIMSO-DEOSSOPVSA-N 583.726 4.918 0 40 KJAB O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224362386 YTHVHYVRZPJWOC-UHFFFAOYSA-N 626.584 4.559 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 224549019 FNAQJHWKCSDKQM-HHHXNRCGSA-N 636.598 4.943 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 224578175 VGYMWZKSTVGPDQ-AREMUKBSSA-N 572.127 4.796 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 224598679 ZILVVEBYFKSQMZ-MUUNZHRXSA-N 595.762 4.787 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 224636391 DEXILWDOYDYVMX-NRFANRHFSA-N 561.626 4.844 0 40 KJAB O=C(Nc1nnc(SCc2ccccc2)s1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 224705170 USPNVTWVXWKROS-UHFFFAOYSA-N 567.556 4.773 0 40 KJAB CN(C)S(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1)c1ccccc1F 224829305 RGGHLWKASKRYDG-UHFFFAOYSA-N 538.689 4.555 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)[C@@H](C)C(=O)NC2CCCCC2)c1 224943200 HSWMVKCYADBMNU-QHCPKHFHSA-N 639.746 4.667 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 225141746 OBONLOZOTWYEHT-VWLOTQADSA-N 548.149 4.979 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 225194120 WQCMIAJGOOKWOR-FGZHOGPDSA-N 536.138 4.835 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)N[C@@H](C)CC)c2ccccc2)cc1 225225824 SLVQJKOAYZIUPV-GOTSBHOMSA-N 569.699 4.752 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 225375054 VPPTWUGJCDJIAB-PMERELPUSA-N 595.762 4.931 0 40 KJAB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)ccc1NS(C)(=O)=O 225433748 KLZIIVOQBVKUKJ-JWQCQUIFSA-N 537.642 4.569 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 225576288 FILOABWAIOVPDB-PMERELPUSA-N 585.726 4.585 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 225643092 CSCVRRMOOMUXHG-NDEPHWFRSA-N 586.154 4.671 0 40 KJAB CCOC(=O)Cc1ccc(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 226026345 HJNDLLKJYDCZBY-UHFFFAOYSA-N 559.482 4.693 0 40 KJAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 260728445 BFLHBNWNBIQJBN-GJZGRUSLSA-N 542.293 4.590 0 40 KJAB Cc1ccccc1N(CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O 260733717 KPUVICBNXCLQPI-LJQANCHMSA-N 542.529 4.790 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC)c2ccccc2)cc1 260755748 KDFWROAOESQLKJ-WJOKGBTCSA-N 603.716 4.806 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 260806495 RYERGAASBCNRFH-HSZRJFAPSA-N 551.709 4.531 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 260817927 WRGAQQQBLPVPHM-GOSISDBHSA-N 554.540 4.798 0 40 KJAB Cc1ccc(C)c(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 260910179 XNHRQAMRLXKWSN-OAQYLSRUSA-N 566.562 4.554 0 40 KJAB Cc1cc(C)cc(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 260910386 XWPPGOIYDDRSPC-OAQYLSRUSA-N 566.562 4.554 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 260939048 RMANJJLMZGTGNC-HXUWFJFHSA-N 578.573 4.644 0 40 KJAB 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BIZRAEYLZAKMSB-UHFFFAOYSA-N 509.031 4.654 0 40 KJAB O=C(Oc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 36006855 ABYDLDQOJKOPIT-YCAMKHIRSA-N 504.464 4.701 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1OC)N(C(=O)CCC(=O)Nc1cc(C)on1)c1ccc2c(c1)OCCO2 38145987 WTPPZCVJWVFJFY-NDEPHWFRSA-N 594.665 4.569 0 40 KJAB COC(=O)c1ccccc1NC(=O)COC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 50862517 MCZMZCKKHBJCDS-UHFFFAOYSA-N 523.998 4.799 0 40 KJAB C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@@H](Cc5ccccc5)C(=O)O)C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C 70680425 QOXQKEFDMRHFRC-ZSPNOZDZSA-N 631.814 4.639 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1Cl 97958509 LNCCVXANXRPYRJ-WLJFKGHSSA-N 591.911 4.622 0 40 KJAB COC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1Br 97960150 CFMXPXPBFLLTIX-RQZCQDPDSA-N 598.269 4.747 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(F)(F)F)o3)c(=O)n2[C@H]1c1ccccc1 97961852 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224342931 XUTFZNHXIBBOEG-LBPRGKRZSA-N 509.506 4.528 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 224533137 KSJIOMFFZBUACD-NRFANRHFSA-N 562.054 4.704 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 224637006 GYDXLQVQTVBRLX-HHHXNRCGSA-N 565.736 4.779 0 40 KJAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(CN(C)S(=O)(=O)c3ccc(C)cc3)c2)cc1 224825609 OSAIGPIQSZGYPG-UHFFFAOYSA-N 510.612 4.643 0 40 KJAB CCOc1ccccc1N(Cc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1)S(C)(=O)=O 224847979 ZHKTZNFHHPPYMJ-UHFFFAOYSA-N 535.710 4.967 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 225145306 ZWRVGMLNGSWKSI-QFIPXVFZSA-N 562.054 4.767 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 225248858 BLKLZDXIDLMVFH-OAQYLSRUSA-N 662.578 4.888 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)cc1C 225260702 PQNAKOLUEVOBAQ-SFTDATJTSA-N 517.474 4.976 0 40 KJAB 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CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@]45CCN4CC=C[C@](CC)([C@@H]45)[C@@H](OC(C)=O)[C@@]3(O)C(=O)OC)C2)C1 257414350 FFRFGVHNKJYNOV-VNTZAFJHSA-N 792.974 4.796 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260802758 PTFTZBOTJLPGHY-GOSISDBHSA-N 570.539 4.634 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)Cc2ccc(Br)cc2)cc1 260830838 UFPVHCGQEZFKBI-LJQANCHMSA-N 513.457 4.926 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 260885821 CLRYKCJYLQWTON-VGSWGCGISA-N 572.953 4.591 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 260899220 NSRMQRRCWBCNOY-AREMUKBSSA-N 549.737 4.997 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 260949363 JRBKTMQLLJYNBO-BWKNWUBXSA-N 566.164 4.925 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 260980895 OAHCRTRDEUDUGB-RDGATRHJSA-N 515.720 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CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 409019744 XSLWRRNOKXUVEJ-FBSFLEBYSA-N 627.122 4.588 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3O)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409034492 HQZKABJLTKUAIE-YOURIZNBSA-N 621.937 4.716 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cn(C)c4ccccc34)c2=O)=N1 409038023 OIGXOECPHYEZBW-KEQCBNTKSA-N 594.531 4.841 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1 409064094 BODOQQPFVFEEFH-MDBUFAAASA-N 519.959 4.614 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1 409064097 BODOQQPFVFEEFH-OTGIAGGSSA-N 519.959 4.614 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409077856 GFVGWCHJIJIGPY-PMPAQKPWSA-N 696.414 4.748 0 40 KJAB C[C@H](NC(=O)c1ccccc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1 409122297 XLXIRQWSQNIYJZ-KRWDZBQOSA-N 519.545 4.601 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 409148179 XNOLPLDRLWNVGC-SRZZPIQSSA-N 626.323 4.694 0 40 KJAB CCc1nccn1CCOc1cc(CN2CCC(O)(COc3cccc(Cl)c3)CC2)ccc1OC 585272877 XXNRDCKRIHZHDE-UHFFFAOYSA-N 500.039 4.592 0 40 KJAB COCC(=O)N1CCCCCCCCN(C(=O)c2nnn(-c3cccc(OC)c3)c2C)Cc2ccccc21 643554434 SRIMWJPOFWVOET-UHFFFAOYSA-N 519.646 4.560 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3cc(F)cc(F)c3)CCO2)C1=O 643555611 CHSPLTFIZOPWHU-MUUNZHRXSA-N 500.586 4.610 0 40 KJAB Cc1ccc(S(=O)(=O)CCNC(=O)CN2CCCC(C)(C)COc3ccccc3Oc3ncccc3C2)cc1 643575946 SZAZMZFBHMRUCG-UHFFFAOYSA-N 551.709 4.773 0 40 KJAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N[C@H](C)COc2ccc(F)cc2Oc2ccc(C)cc2)CC(=O)N[C@H](Cc2ccccc2)C1=O 643578655 DMUGYYLCUIIXMR-UKOABYEESA-N 710.803 4.967 0 40 KJAB CCOc1ccc(CN2CCC3(CCCCCOC[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC3=O)CC2)cc1 643578950 KTRRGAABLIQDGT-XCZPVHLTSA-N 527.750 4.780 0 40 KJAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N[C@H](C)COc2ccccc2Oc2cccc(F)c2)CC(=O)N[C@@H](Cc2ccccc2)C1=O 643579042 OARRSFXUUVQXNB-GWTOPCPNSA-N 696.776 4.659 0 40 KJAB COc1ccccc1CN1CCC2(CCCCCOC[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC2=O)CC1 643579152 RQEXTOKAFZJRMM-SVBPBHIXSA-N 529.766 4.930 0 40 KJAB CCOc1ccc(-n2nnc(C(=O)N3CCC4(CCCCc5ccccc5OCCN(CC)C4=O)CC3)c2C)cc1 2037884811 IEXGUNITZJZISG-UHFFFAOYSA-N 559.711 4.851 0 40 KJAB CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 650596 DPMIPVDSELLMDR-CVDCTZTESA-N 524.503 4.730 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(OC)cc2OC)S(=O)(=O)c2ccc(Br)cc2)cc1 2057255 WSBMVPUAHOVUHE-UHFFFAOYSA-N 549.443 4.699 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3sccc3C)c2=O)=N1 2085121 UGGJYLRJTWAULL-LJJBLSSYSA-N 506.052 4.897 0 40 KJAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(Br)c3)N2C(=O)CN1Cc1ccc(F)cc1 2123401 NVHZFUWKBALLJX-JYFHCDHNSA-N 518.386 4.955 0 40 KJAB biogenic O=C(CSc1nnc(-c2cc(Cl)ccc2Cl)[nH]1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 2625822 QJVBQJUTJIFPIX-UHFFFAOYSA-N 526.471 4.684 0 40 KJAB CCOC(=O)c1c(NC(=O)[C@@H](C)S(=O)(=O)c2cn(CC)c3ccccc23)sc2c1CCCCC2 2722213 CZASLBCMVLMWQI-MRXNPFEDSA-N 502.658 4.969 0 40 KJAB CCCn1c(C)cc(C(=O)COC(=O)c2cc(S(=O)(=O)NCC(C)C)c(Cl)cc2Cl)c1C 3420747 QLSKQTIFKMUQDX-UHFFFAOYSA-N 503.448 4.796 0 40 KJAB CCOC(=O)[C@@](O)(c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)cc1)C(F)(F)F 4647556 XPXATMMKDBLMQR-VWLOTQADSA-N 560.554 4.796 0 40 KJAB O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccccc1)N(Cc1ccccc1)Cc1ccco1)OCO3 6446652 YIRHOPGVOVWNNU-LJAQVGFWSA-N 546.587 4.676 0 40 KJAB CCCC[C@@H](O)c1ccc2c(c1)OCCOCCOc1cc(CC[C@H](O)CC)ccc1OCCOCCO2 8892751 QSFGKMSAKLBHFZ-CLJLJLNGSA-N 532.674 4.876 0 40 KJAB CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)CC1 8897454 JWBSCSIRENHLBS-ACCUITESSA-N 509.031 4.795 0 40 KJAB COc1c(Br)cc(Br)cc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 8901415 MWXDRYUWULURAO-MRVPVSSYSA-N 502.228 4.758 0 40 KJAB CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3ccc(OCC)cc3)cc12 9030625 UKATZHMNJDIFPV-UHFFFAOYSA-N 508.552 4.747 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2cccc(OC)c2)cc1 12713981 YVNIWAKJBVCYPL-MHZLTWQESA-N 515.614 4.528 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(OC(C)C)cc1)S(=O)(=O)c1ccccc1 20459911 QVKWTRDZLYWVLW-UHFFFAOYSA-N 503.020 4.648 0 40 KJAB C[C@@H](NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccc(Br)cc1 22231408 IPPAPFZZDDRMNT-GOSISDBHSA-N 517.445 4.672 0 40 KJAB Cc1cccc(-c2noc(CN(C(=O)COc3ccc(I)cc3)C3CCCC3)n2)c1 22257764 RJHZASIRKCLJMR-UHFFFAOYSA-N 517.367 5.000 0 40 KJAB CCSc1ccccc1NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 22431388 DSAMIFAOQCIIJD-UHFFFAOYSA-N 500.642 4.958 0 40 KJAB Cc1ccc(Nc2nc(CSc3nc4ccccc4c(=O)n3CCCN3CCOCC3)cs2)cc1 25425477 HGAWAUGLCCQBAH-UHFFFAOYSA-N 507.685 4.920 0 40 KJAB Cc1cccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N(Cc3ccc(F)cc3)Cc3ccco3)c(=O)[nH]c12 33936828 CWAZEKMEYPCMIR-SQHAQQRYSA-N 528.588 4.526 0 40 KJAB O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc2nsnc2c1 57313969 ROPKSXJSPVUMEP-UHFFFAOYSA-N 523.087 4.794 0 40 KJAB COC(=O)c1cc2cc(NC(=O)CN(Cc3ccccc3F)S(=O)(=O)c3ccc(C)cc3)ccc2s1 59835345 VMGZQUJPOJEXDK-UHFFFAOYSA-N 526.611 4.965 0 40 KJAB Cc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H]3c4ccccc4C(=O)N23)cc1 70701594 UGQSGSSNBLTGAU-XEVVZDEMSA-N 534.660 4.794 0 40 KJAB biogenic COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)COC(=O)c2ccc(OC(F)F)c(OC)c2)cc1OC 103133416 IZABPRZXCAZGFL-SFHVURJKSA-N 546.548 4.910 0 40 KJAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(Br)ccc3OC)cc2Cl)CC1 105316770 CSUQIHIPNQLXMX-UHFFFAOYSA-N 553.910 4.687 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OCC(=O)N1CCCC1 106683335 CNBMADLJLGHSGT-HMAPJEAMSA-N 501.004 4.976 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 222724027 ZJDPRNANKNFQSG-OAQYLSRUSA-N 578.946 4.753 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 223009910 XBGGPZIHMOZHRR-JOCHJYFZSA-N 586.552 4.815 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223046798 CSAVAWPDLPNOIW-JKSUJKDBSA-N 548.920 4.745 0 40 KJAB O=C(NCc1ccccn1)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223327753 OJVQBIGSAHOCRL-JGCGQSQUSA-N 582.726 4.541 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 223345903 UPLMAUIKBZEFCZ-INIZCTEOSA-N 548.920 4.746 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223414548 WJMAMNYJQDCDJG-SSEXGKCCSA-N 633.742 4.814 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 223576246 OMKUWUDOXMVGNQ-QFIPXVFZSA-N 542.101 4.706 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223696258 OXYYRBSPTYJSCR-MHZLTWQESA-N 529.747 4.882 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223704840 HMWVVCRRMUCVGJ-OAQYLSRUSA-N 618.152 4.505 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 223870930 BRCBJKAEPGKXOD-INIZCTEOSA-N 548.920 4.746 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Br)c(C)c1 224019335 QHCBQNOJDHPQBO-HSZRJFAPSA-N 505.453 4.869 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 224027336 LYDXIPLSJBTPRQ-QHCPKHFHSA-N 581.710 4.814 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 224169128 JYCFZWCSFLASQC-SANMLTNESA-N 600.579 4.770 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 224299150 KNAYFNCWHXVJOP-MHZLTWQESA-N 570.155 4.969 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 224316275 NIBVXOYPUJDRFC-HHHXNRCGSA-N 572.127 4.878 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 224394115 XAXCRHMVBIWAKQ-SANMLTNESA-N 545.721 4.855 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 224426585 BVMRSSNQZCCJHQ-QFIPXVFZSA-N 572.127 4.733 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 224469844 NUIXUSDHSINVNM-HHHXNRCGSA-N 636.598 4.943 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 224745466 FYTFEUBXORSLHL-INIZCTEOSA-N 605.382 4.998 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224754486 CGKADKNGOUVAMD-NDEPHWFRSA-N 613.752 4.926 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 225446606 AHWHAIHIGWEXGU-LJQANCHMSA-N 592.943 4.770 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 225526863 XODCBHUCRVAKRY-PMERELPUSA-N 615.752 4.594 0 40 KJAB CCc1ccccc1NC(=O)Cn1nc(Nc2cccc(F)c2)c(S(=O)(=O)c2ccc(C)cc2)c1N 225529125 DZYPLDYSKPKWNQ-UHFFFAOYSA-N 507.591 4.690 0 40 KJAB COc1cccc(-c2noc(CSc3nc4ccccc4c(=O)n3Cc3ccc(F)cc3)n2)c1OC 225530097 HARAOHVCSTWZBZ-UHFFFAOYSA-N 504.543 4.943 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 225615665 AXWGMTHOTNKDBB-HHHXNRCGSA-N 556.128 4.581 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 225668669 MTRABEGFCNYXOF-NRFANRHFSA-N 602.551 4.595 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 225704552 VMBZIUDTZJZHGE-MUUNZHRXSA-N 551.709 4.531 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 225717648 DQHVBVUUULEKRM-QHCPKHFHSA-N 522.111 4.527 0 40 KJAB S=C(NCC1(c2cccc(Cl)c2)CCOCC1)Nc1nc(N2CCCCC2)cc(N2CCCC2)n1 225997419 OCZVVWOJQUWSNG-UHFFFAOYSA-N 515.127 4.755 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)Cc2ccc(Cl)cc2)cc1 226001188 WEIJHCMHMWGGKV-PMERELPUSA-N 604.128 4.950 0 40 KJAB CCN(c1ccc2sc(C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2c1)S(=O)(=O)c1ccc(OC)cc1 226091149 DOAZYUVRWUMFJD-UHFFFAOYSA-N 627.810 4.882 0 40 KJAB CC(C)n1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nc2c(-c3ccccc3)c[nH]c2c1=O 252500887 TYBAYYJHXGQTBR-UHFFFAOYSA-N 505.619 4.553 0 40 KJAB COc1ccc(-c2nn(-c3ccccc3)cc2C=c2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1F 254521288 IHCMBVCMHSPEGS-VNGZERMVSA-N 521.577 4.870 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc(Cc4ccncc4)cc3)Oc3ccc(C)cc32)cc1 260853107 VBRHSEHNJMUQQH-MUUNZHRXSA-N 513.619 4.884 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 260894287 DHEFFCQBHFPKFC-QZTJIDSGSA-N 542.529 4.654 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)cc1 260909103 QINZTHAECABMQS-RUZDIDTESA-N 579.763 4.951 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 260921341 UAFCTQWVFVHDTD-RPBOFIJWSA-N 535.710 4.831 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)c(OC)c1 260954826 GBUWECMIHAKHSV-GDLZYMKVSA-N 628.191 4.822 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 260994718 QONLIICBTDJHQN-CUBQBAPOSA-N 535.710 4.912 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 261069352 PKJQIOMAPIYQSV-DFHRPNOPSA-N 586.154 4.669 0 40 KJAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3Sc3ccccc3)C2)c1 408561472 SWBASYFIMHSFNG-LJQANCHMSA-N 512.653 4.894 0 40 KJAB COc1ccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408626296 WDQNWXHYLAEIOY-FQEVSTJZSA-N 501.048 4.990 0 40 KJAB O=C(O)COc1ccc(/C=C(/Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)cc1Br 408631687 ALIJGABSMDTHNH-OVCLIPMQSA-N 510.753 4.569 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C(=O)OCC)cc4)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 408811347 NLCOMXTXAMLLHG-HDFSHUSISA-N 600.668 4.693 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C(=O)OC)ccc4C)o3)c(=O)n2[C@H]1c1ccccc1Cl 408833044 RIQSKUATDGNYIJ-GVMLUORFSA-N 577.058 4.807 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC(=O)O)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408836447 RHRICGRGRHLTAI-FAUWUSJQSA-N 694.398 4.574 0 40 KJAB 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CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 225624608 JLFGJMCTFPCBSN-GOSISDBHSA-N 556.556 4.999 0 40 KJAB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)Cc2ccccc2)c1 226060886 WEPDGJWHYPFROQ-UHFFFAOYSA-N 564.664 4.631 0 40 KJAB Cc1cccc(CN(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 226064687 NUMUCLOMHTZDHR-UHFFFAOYSA-N 537.041 4.537 0 40 KJAB CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]3[C@@H](C(=O)c3ccccc3)N2c2ccc(Cl)cc21 252347093 VCYXWWVNBCHCLS-DMKHAHDWSA-N 512.949 4.732 0 40 KJAB COc1cccc(S(=O)(=O)N2CCC[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCCCC3)C2)c1 257251258 JQAAGYNUNUWJRS-SANMLTNESA-N 521.079 4.601 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)c1 260779681 ZWWDGOSMFGQBIS-JOCHJYFZSA-N 572.127 4.794 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 260818016 WZQHGVGEMOYNDF-GOSISDBHSA-N 542.529 4.708 0 40 KJAB 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CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1 408635940 KEASWMBHXIGJQC-UHFFFAOYSA-N 523.394 4.988 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 408703948 WRJRPPDPFLQQAN-UHFFFAOYSA-N 552.049 4.707 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408977535 XCHARUUTRCWGPD-ZIRCPPMYSA-N 554.668 4.776 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(Br)o3)c2=O)=N1 409049327 ZCEQKLVJIMDBID-QFTJCQGQSA-N 610.324 4.705 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)C)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409079395 FRVIIPZGBYOJRA-DJTCXORXSA-N 615.546 4.755 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccccc4)o3)c(=O)n2[C@@H]1c1ccccc1OC 409108875 WSKLCDSAYCRHAR-WTDOPDLHSA-N 559.713 4.856 0 40 KJAB COC(=O)[C@@H]1NC(c2cccc(C(F)(F)F)c2)(c2cccc(C(F)(F)F)c2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 409193339 JJWCDSCXHQRESN-FDFHNCONSA-N 562.466 4.918 0 40 KJAB 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COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)OCc2nc(CC(=O)Nc3ccccc3OC)no2)c1 3417678 ZFYZKHSFDWCOAS-UHFFFAOYSA-N 557.538 4.617 0 40 KJAB CC(C)CCNC(=O)[C@@H](c1cccs1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1cccc(F)c1 6134328 MMIRJJKOOMYNFM-XMMPIXPASA-N 524.597 4.617 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OC(C)C)cc4)c(=O)n32)cc1 8443943 PZSRONGWRZQYSR-RYOBIWAXSA-N 539.657 4.670 0 40 KJAB COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(=O)Nc3ccc(Cl)cc3)n(C)n2)cc1OC 8635536 OLZXUCYMMXTEPY-WTOYTKOKSA-N 510.038 4.757 0 40 KJAB biogenic,in-vitro COc1cccc(N(C(=O)C[S@@](=O)CC(=O)Nc2ccc(F)cc2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c1 8686521 MRMXEMBBQPMFSD-VAJZRNNVSA-N 585.723 4.806 0 40 KJAB CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)C2)CC1 8766662 BGMXTKKUHWUVLH-NRFANRHFSA-N 522.045 4.867 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3C)[C@@H](C(=O)NC(C)(C)C)c3cccs3)n2)cc1 12478702 AECFGUVVBMNGRX-XMMPIXPASA-N 502.644 4.708 0 40 KJAB 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KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2cc(OCc3ccccc3)c(Cl)cc2Cl)cc1 1392345 ZQFYLXYZLVCOGG-UHFFFAOYSA-N 523.438 4.865 0 40 KJAB Cc1cc(Br)c(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2N)c(Br)c1 2367120 SUWQBWWQLWXDSB-UHFFFAOYSA-N 531.661 4.877 0 40 KJAB COc1cc(C(=O)N[C@H](CCSC)C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc(OC)c1OC 2644556 BDEHHZNITBFWOP-HSZRJFAPSA-N 506.624 4.774 0 40 KJAB CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2nc3ccccc3s2)CC1 6149357 UTCDVXZAYPMNFS-VWLOTQADSA-N 542.713 4.798 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSC2CCCCC2)c2cc(C)cc(C)c2)cc1OC 8396184 OYAFBHDGXDLRPQ-UHFFFAOYSA-N 520.717 4.698 0 40 KJAB CCN1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NCCc1ccc(OC)c(OC)c1 12635725 RNBSTOGWNJATEB-RUZDIDTESA-N 536.742 4.566 0 40 KJAB CCc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)cc1 13028974 XGJRVFMEGOSQIO-MUUNZHRXSA-N 526.641 4.641 0 40 KJAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3cccc(OC)c3)ccc2N2CCCCC2)cc1 13113275 PXHMMUCXAYEHDV-UHFFFAOYSA-N 509.628 4.676 0 40 KJAB COC(=O)c1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)ccc1Cl 13679521 XKXIYQILAMDLQD-ZDUSSCGKSA-N 519.834 4.614 0 40 KJAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cc(Br)ccc1OC(F)F 20133834 YNRDYFKOUVWKGU-GOSISDBHSA-N 506.307 4.578 0 40 KJAB CCOC(=O)C1=C(CSc2nnc(Nc3c(CC)cccc3CC)s2)NC(=O)N[C@@H]1c1ccco1 24002357 BGMMILUTYDUDLV-HXUWFJFHSA-N 513.645 4.963 0 40 KJAB CCc1ccc(N(CC(=O)NCc2ccc(CN3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1 44873986 HWNUFLNGPBNIOK-UHFFFAOYSA-N 505.684 4.747 0 40 KJAB CCCSc1ncc(Br)c(C(=O)N[C@H](CCSC)C(=O)Nc2ccc(Cl)cc2)n1 46087001 XUDKTWOYOKKOOF-OAHLLOKOSA-N 517.902 4.885 0 40 KJAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N(Cc3ccco3)C[C@@H]3CCCO3)cc2c1 57608117 LKKJWNOALHKFHE-JYFHCDHNSA-N 502.619 4.692 0 40 KJAB O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 59929309 AJKBBTCCKYHGDR-PATFTRMSSA-N 558.531 4.741 0 40 KJAB Cc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2NC(=O)c2ccc(Br)cc2)c(C)c1 98006016 CHQARMVXHUCGMX-QHCPKHFHSA-N 565.493 4.737 0 40 KJAB Cc1cccc(CCCNC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c1 100075438 AVAQXJCFISVNNS-UHFFFAOYSA-N 548.446 4.544 0 40 KJAB CCOC(=O)[C@]12C(=O)Oc3ccc(Br)cc3[C@@H]1[C@@]2(C)C(=O)c1ccc(Br)cc1 100145127 DGPVGDSSBVTFIC-CZAAIQMYSA-N 508.162 4.667 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc(Cl)cc4)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 100534154 WXWCVZNEKHRZHJ-DQARITGZSA-N 589.069 4.759 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@H]1c1ccccc1OC 100758482 SYWWWGJCECIWMC-XXMKCSCWSA-N 535.021 4.720 0 40 KJAB Cc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)N(c3ccccc3)O[C@H]2C1=O 102752257 XPIBMGMTTNTAFQ-UPRLRBBYSA-N 540.597 4.814 0 40 KJAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 103084805 NJUDRUWJANJWFI-UHFFFAOYSA-N 533.675 4.594 0 40 KJAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)Nc1cc(Cl)c(Cl)cc1Cl 103101287 DDPIYUBAOCNCEE-UHFFFAOYSA-N 596.920 4.949 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4ccccc4C(=O)O)o3)c2=O)=N1 103826895 CPSKZZGBCFZEGF-YNMQQHPQSA-N 602.665 4.554 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(s/c(=C/c3ccc(Br)s3)c2=O)=N1 103904099 FETHQNYKXSAYFV-KZFLWGQDSA-N 542.505 4.759 0 40 KJAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(I)ccc3Cl)cc2Cl)CC1 105316536 JDKDFDUPFJXDMS-UHFFFAOYSA-N 591.302 4.783 0 40 KJAB COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 105318403 DTJNZZDJKONLRY-UHFFFAOYSA-N 539.499 4.907 0 40 KJAB O=C(C[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 150380335 YOPNAABTCPHLKW-ROJLCIKYSA-N 652.700 4.777 0 40 KJAB COC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 150399830 ZDAZTOCQAWNOCZ-WUFINQPMSA-N 656.777 4.731 0 40 KJAB COc1ccc(N2C(=O)[C@@H]3C4C=C(C(=O)Oc5ccc(Cl)cc5Cl)C([C@H]3C2=O)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]42)cc1 150419557 VYTVGGOZMFJTFW-PBLITREESA-N 647.467 4.714 0 40 KJAB CC[C@H](Sc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)N2CCN(c4ccccc4)CC2)cc1)OCO3)C(=O)NCc1cccnc1 150445506 NVRBQFOTPBAAKQ-XIFFEERXSA-N 676.799 4.718 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 223119817 WZAVYZSHDRXQIC-VWLOTQADSA-N 565.736 4.841 0 40 KJAB COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](Cc2ccccc2)C(=O)NCc2ccc3c(c2)OCO3)cc1 223253350 FTMCMGHEVDKJPW-XIFFEERXSA-N 669.800 4.754 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 223257843 JESZZGDLGAPZBP-INIZCTEOSA-N 566.017 4.598 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223421724 QPSVHXFRORPZTJ-OAQYLSRUSA-N 546.492 4.621 0 40 KJAB O=C(Nc1nnc(-c2ccccc2)s1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 223584479 LKCXWJRQRZCOHL-UHFFFAOYSA-N 511.456 4.692 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 223703441 KLHCWZYBOJQFFC-DEOSSOPVSA-N 535.710 4.893 0 40 KJAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2F)o1 223704142 YEWIUJZYBDFHQZ-LEWJYISDSA-N 504.381 4.779 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1 223811547 GKHWTYVFYWPHPP-QFIPXVFZSA-N 527.731 4.535 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223840193 ONXFGFNRWDKDLI-IBGZPJMESA-N 608.544 4.759 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223842694 ZFTCDHKUMAGRIL-QGZVFWFLSA-N 560.038 4.601 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 224145902 WPWWFSLZFYZRGR-NDEPHWFRSA-N 535.710 4.751 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 224316536 MAOSNXPZSMKTQI-RUZDIDTESA-N 534.122 4.752 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 224418657 CDGMLGBIRALSDT-OAQYLSRUSA-N 593.371 4.774 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224652515 PTZUSIIOWYQWII-INIZCTEOSA-N 560.931 4.889 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 224667302 OMPHSCIAKOZNJM-HXUWFJFHSA-N 542.101 4.590 0 40 KJAB Cc1ccc(OCCNC(=O)c2ccc(CN(c3ccccc3Br)S(C)(=O)=O)cc2)c(C)c1 224730028 LOOKWPBYXFDYSE-UHFFFAOYSA-N 531.472 4.841 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224744591 PBKWYOPKNCNNKQ-SANMLTNESA-N 557.663 4.740 0 40 KJAB Cc1cccc(CN(C(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224810970 JXSFEVGPTMZUJA-LJAQVGFWSA-N 567.727 4.845 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 224856269 PFBVMOAJBIJKKZ-HSZRJFAPSA-N 556.556 4.956 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 224886208 PIWBSPNFNLFRCZ-PMERELPUSA-N 595.762 4.787 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 225045802 CZPCMEBAARFKLZ-SANMLTNESA-N 527.731 4.634 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 225074219 GJIRGOOAYXPJAX-HHHXNRCGSA-N 521.683 4.524 0 40 KJAB O=C(Nc1nnc(S(=O)(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)s1)c1ccc(Cl)cc1 225139216 XJSCAHIBGDXHIV-GOSISDBHSA-N 519.048 4.949 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225150134 FEGSAPPLCQVEJY-JKSUJKDBSA-N 548.920 4.745 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 225261255 BWXQVCUQOLBUBI-MHZLTWQESA-N 599.725 4.680 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1CC)S(C)(=O)=O 225297492 KKENRKIMWWYEEN-SSEXGKCCSA-N 563.764 4.880 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225330221 QNSWZAAQFMAZSH-OAQYLSRUSA-N 548.920 4.601 0 40 KJAB 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CCCOc1ccccc1N1C(=O)[C@H]2[C@@H]3C(C)=C(C(=O)OCC)[C@](C)([C@H]2C1=O)[C@@H]1C(=O)N(c2ccccc2OCCC)C(=O)[C@H]31 245231854 KOQDRQBIGYHNHJ-MTKIJAJKSA-N 614.695 4.705 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 260744246 OBAVZBFGAJCAJP-JOCHJYFZSA-N 572.127 4.528 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(Cl)cc1 260757948 SIOAAHKXYPVCPJ-OAQYLSRUSA-N 560.091 4.925 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)c2ccccc2)cc1 260778945 JZJFSPDZUJEBPB-JOCHJYFZSA-N 567.683 4.506 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 260858523 ALJDKUWARLTVAF-ZEQRLZLVSA-N 551.709 4.531 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 260864372 AGBDXANWEZSSFF-ZEQRLZLVSA-N 581.735 4.540 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 260865633 AGGTUWNZDNSITK-SFTDATJTSA-N 603.688 4.509 0 40 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CCOc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c1ccccc1 261059238 NMSMPHUHSLOPFF-DHIUTWEWSA-N 569.699 4.752 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c2ccc(F)cc2)cc1 261117978 YVPWUNPKVHKFGE-FGZHOGPDSA-N 587.689 4.891 0 40 KJAB Cc1ccccc1NC(=O)c1cc2cc(Br)ccc2n1NC(=O)C(=O)Nc1cccc(F)c1 408573649 FGUMWVQKOVOYOP-UHFFFAOYSA-N 509.335 4.812 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 408589971 IMXWZXZNRXJIME-UHFFFAOYSA-N 515.031 4.967 0 40 KJAB O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 408629466 BQJDASXUBNSMJD-LJQANCHMSA-N 562.475 4.736 0 40 KJAB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)c1 408639275 FMGLVARLNGPLRT-ZEQRLZLVSA-N 575.017 4.983 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 408679184 IWTQHQLCVBAFPD-UHFFFAOYSA-N 581.691 4.960 0 40 KJAB CCOc1ccccc1NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408689658 SLJDASOLXKMOJP-JEPIDDLESA-N 566.654 4.874 0 40 KJAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 408714537 BAYQCTXJJIZRNS-AREMUKBSSA-N 554.068 4.951 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 409010058 BDFKGGKADIHQAN-LPYMAVHISA-N 523.948 4.988 0 40 KJAB CCOc1cc(Br)c(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=S)N2CC(=O)OC)cc1OCC 409055842 LBOGJLCJAZDMAR-NDENLUEZSA-N 547.471 4.957 0 40 KJAB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc24)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OC 409106894 PUWHXAIIVLMJEP-CFEDROAVSA-N 585.726 4.673 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)cc(I)c1OCC(=O)OC 409201687 PCYZSNGRIQSHLX-CPNJWEJPSA-N 567.401 4.521 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(=O)Nc4cccc(F)c4)c(Cl)c3Br)C2=O)o1 409398032 BETUHZQPGWPALY-IUXPMGMMSA-N 636.814 4.740 0 40 KJAB COc1ccc(CCNC(=O)[C@H](Nc2ccc3c(cc2=O)[C@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)C(C)C)cc1 504564933 DCYSXYQLGOWCTF-WXGMZPBLSA-N 617.743 4.667 0 40 KJAB biogenic COC(=O)C[C@@H](c1ccc(Br)s1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O 524729851 LWMUEZKDNZCONT-BSEYFRJRSA-N 548.411 4.848 0 40 KJAB biogenic COc1cc(CNC(=O)c2ccc3c(c2)Cc2cccc(c2)CN(CC(C)C)CCOCCO3)cc2c1OCO2 643580091 KJUXGRSTJNGTKB-UHFFFAOYSA-N 546.664 4.812 0 40 KJAB COc1ccc(CN(CCC2=CCCCC2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC 933685 KBFPVJLUHZMVRT-UHFFFAOYSA-N 562.754 4.960 0 40 KJAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cc3ccc(NS(=O)(=O)c4ccc(NC(C)=O)cc4)cc3)cc2)cc1 3143759 FWCSYYIHJSBQPG-UHFFFAOYSA-N 592.699 4.796 0 40 KJAB O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(SC(F)F)cc1 3225467 GECGDRWZZVQVMI-UHFFFAOYSA-N 518.991 4.625 0 40 KJAB C[C@H]1CCc2c(sc3nc(SCC(=O)c4ccc5c(c4)NC(=O)CO5)n(-c4ccccc4)c(=O)c23)C1 3378376 DEXCUBWZXXGUKB-HNNXBMFYSA-N 517.632 4.878 0 40 KJAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)C1(Br)c3ccccc3C2(Br)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 5883463 JWPNWDRMHVOXKA-GHWFINJFSA-N 606.270 4.506 0 40 KJAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)n2C)cc1 6088650 UXSUBRNQHIUMAY-UHFFFAOYSA-N 537.667 4.721 0 40 KJAB CCn1c(CNC(=O)COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccccc1C(C)C 8400759 DAVBWQMHKKYAPP-UHFFFAOYSA-N 509.676 4.971 0 40 KJAB O=C(c1nn2c(c1Cl)N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CCN2CCC[C@@H]2C1 8444782 UTDNFSHITUPIRW-BZUAXINKSA-N 532.792 4.880 0 40 KJAB CN(C)c1ccc(NC(=O)C(C)(C)N(Cc2ccccc2F)C(=O)CN2C[C@H](c3ccccc3)NC2=S)cc1 8695872 KFKLBTZIYHRLKG-AREMUKBSSA-N 547.700 4.569 0 40 KJAB O=C(CN1C[C@@H](c2ccccc2)NC1=S)N(Cc1cccnc1)C1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCCCC1 8695922 XEOBLGFUDKCIJN-PMERELPUSA-N 612.800 4.520 0 40 KJAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)c(F)c1F 8833256 WKJBKPPAVYVKQC-UHFFFAOYSA-N 509.872 4.766 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccc(C)c1 10301131 VMOOYGIBRIFVBR-UHFFFAOYSA-N 528.074 4.510 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C(C)=O 13024523 XQCBZJLJOZBPDY-NDEPHWFRSA-N 527.625 4.722 0 40 KJAB Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2cc(C(=O)OCC(=O)c3ccc(C)cc3)ccc2C)cc1 13896755 OCXSBQKJCNSLQW-UHFFFAOYSA-N 515.562 4.796 0 40 KJAB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)c1cc2ccccc2o1 16525724 VHBCETMUTTVPKN-UHFFFAOYSA-N 502.571 4.661 0 40 KJAB C[C@@H](NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 20010155 OIUTYCLMMROOJM-LJQANCHMSA-N 501.446 4.560 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)Cc2ccc(Br)cc2)cc1 22535884 JKRFLUITZHUABC-SFHVURJKSA-N 519.436 4.965 0 40 KJAB COc1cc(NC(=O)Cn2c3ccccc3c3ncn(Cc4ccccc4Cl)c(=O)c32)cc(OC)c1 35399766 DIDUMCOPYBKUBP-UHFFFAOYSA-N 502.958 4.709 0 40 KJAB COc1cc(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)ccc1NC(=O)c1ccco1 59331499 JJZZPLIHQCJTSO-UHFFFAOYSA-N 518.389 4.747 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCCCC4)cc3)cc2)c(C)c1 59923876 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CCc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 260713764 DZUQYOUHSXCCCO-JOCHJYFZSA-N 539.673 4.525 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1 260726485 YUFCPOGVMBUFQA-SSEXGKCCSA-N 648.181 4.787 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c1 260795462 NGDWTOHOXQUVJB-RUZDIDTESA-N 607.773 4.808 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 260876542 MGSGWTQIMFVPBO-HHHXNRCGSA-N 606.572 4.933 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 260907113 FMVOCZHPWWSGDY-OALUTQOASA-N 542.529 4.708 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1C 260911045 DQQXAJUEQAOSFL-JOCHJYFZSA-N 580.589 4.802 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](CC)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 260929909 HLWZAPONKCKGQN-KOSHJBKYSA-N 572.555 4.880 0 40 KJAB Cc1cccc(C)c1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 260946981 DQSCHLBHCOHZQI-GDLZYMKVSA-N 579.738 4.907 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 260955249 KIKRWRJNCDNQHC-YADHBBJMSA-N 616.578 4.985 0 40 KJAB CN(CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 261005508 QWWFZVIVHOIIKV-SSEXGKCCSA-N 579.738 4.925 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 261067035 OWZRHDSYXHUVHL-LXFBAYGMSA-N 600.181 4.978 0 40 KJAB O=C(NCc1ccc(F)cc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 408577716 JBGXIHISYZTYMO-QGZVFWFLSA-N 510.363 4.510 0 40 KJAB COc1cccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408650619 FYNRAODDBIJPOZ-QEIZMNAYSA-N 521.400 4.615 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 408965886 JILWMAJCAKKLSD-OYKKKHCWSA-N 532.574 4.956 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(C4CCCCC4)c3C)c2=O)=N1 409031233 JLLLNGKNMABUST-FCYPAOMHSA-N 503.668 4.722 0 40 KJAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cccc(OC)c3OCc3ccccc3F)c2=O)=N1 409033135 DUJBKAYUWNRYOG-ABBNRAPFSA-N 558.631 4.525 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OC(F)F)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 409155530 JAGLXNSHMRWYBW-HTCWZNLXSA-N 592.620 4.554 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1OC 409172770 INOFUIWGOUGGFI-UHFFFAOYSA-N 585.726 4.833 0 40 KJAB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 409235960 QVMDPHNJRXBDJC-SRZZPIQSSA-N 554.372 4.707 0 40 KJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(=O)Nc3ccccc3)C2=O)cc1 409351184 ZXYYIIFKPDJQMX-HZHRSRAPSA-N 501.564 4.688 0 40 KJAB CC(C)C(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2CN(c3ncc(C(=O)O)c(CCc4ccc(F)cc4)n3)CC[C@H]21 409412951 XFFXRPLTSHBRPH-CMTIAEDTSA-N 534.607 4.715 0 40 KJAB O=C(CCN1CCN(c2ccccn2)CC1)N1CCCCCCCCN(C(=O)C2CC2)c2ccccc2C1 643557773 YFWGVOONJFVSIO-UHFFFAOYSA-N 517.718 4.720 0 40 KJAB CC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)Cc3noc4ccccc34)Cc3ccccc31)N2CC1CC1 643577724 XSVOGSJPQLMFOR-RPBOFIJWSA-N 500.643 4.789 0 40 KJAB Cc1c(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 1011445 KSDJMQQTWBOBNT-UHFFFAOYSA-N 579.000 4.991 0 40 KJAB COCCn1c(NS(=O)(=O)c2ccc(Cl)cc2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 1899516 LRUJTIJVJZNLCT-UHFFFAOYSA-N 571.080 4.826 0 40 KJAB CC(C)(C)NC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)c(Cl)c1 6074460 FOYKVVKTEPTRQM-GOSISDBHSA-N 538.432 4.573 0 40 KJAB Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)c3ccccc3)cc2)cc1 9445874 OIYUIMSIQXNPKT-FQEVSTJZSA-N 501.535 4.568 0 40 KJAB O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 9720753 CYERGCIWZZHPKD-UHFFFAOYSA-N 518.466 4.533 0 40 KJAB COc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccccc23)cc1 9830041 DNSDDTVOTGTQMR-UHFFFAOYSA-N 510.373 4.625 0 40 KJAB CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2CC(=O)Nc1cc(OC)cc(OC)c1 9855999 VQEOGAVPENDOHI-UHFFFAOYSA-N 500.551 4.596 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(C)cc2)c(C)c1 10446672 KJAYHAMGQLMGNW-UHFFFAOYSA-N 510.612 4.713 0 40 KJAB CCCCCCc1c(C)c2ccc(OCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)cc2oc1=O 11866810 FIQIWURNDMHKGD-VWLOTQADSA-N 504.583 4.896 0 40 KJAB biogenic COC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(Cl)c(OC)cc3OC)c2)cc1 13027861 PHQXGRJSZZRHAY-UHFFFAOYSA-N 518.975 4.505 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2)c2ccc(Br)cc2)cc1 13668524 KADUFHJWLHQRCE-UHFFFAOYSA-N 501.446 4.702 0 40 KJAB CCCNC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 14412670 DCQOHFXNZVPIIR-UHFFFAOYSA-N 500.020 4.622 0 40 KJAB CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(Br)o2)c1 16687785 CSNRLWBHQZUWKU-UHFFFAOYSA-N 512.404 4.793 0 40 KJAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1 19855861 VSXPKLJMJGGRTK-UHFFFAOYSA-N 507.395 4.922 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(C(F)(F)F)c2)C2CCCCC2)cc1OC 20011400 FTMKYFDIXXUBLA-UHFFFAOYSA-N 518.529 4.824 0 40 KJAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Br)c1 59444101 LAMARINPIFQENI-UHFFFAOYSA-N 507.837 4.975 0 40 KJAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccc(C)cc1 70699085 NMODYODRCDDUFF-ZRMCBUBKSA-N 534.660 4.794 0 40 KJAB biogenic COc1ccc(/C=C2/N=C(SCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)N(c3cc(C)cc(C)c3)C2=O)cc1 97979501 RIIZHLOQWFDSHQ-JVWAILMASA-N 592.743 4.986 0 40 KJAB C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1)CC2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 97979550 KUVVLNXWBRRWMZ-ONZPZFSWSA-N 527.602 4.553 0 40 KJAB CS(=O)(=O)c1ccc(NC(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)N2c2ccc(Cl)cc2)cc1 97981162 CVMUFNNSIMKAQP-FLFQWRMESA-N 538.054 4.881 0 40 KJAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2C(=O)O)c1 100009025 MBIRJYQCZWGJFI-UHFFFAOYSA-N 516.211 4.824 0 40 KJAB COc1ccc(Br)cc1-c1nc(Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)c(C)o1 102665747 DWINYSMXQMLGFF-UHFFFAOYSA-N 535.354 4.675 0 40 KJAB COC(=O)CN[C@H](c1ccccc1)c1cc(Br)ccc1NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 102899917 HZJPNHBSXHUMGE-IQGLISFBSA-N 554.441 4.555 0 40 KJAB CCOC(=O)C1CCN(C(=O)CSc2nnc(COc3ccccc3F)n2[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 103141842 XKGQIZIIMDQNSS-YVNJGZBMSA-N 544.693 4.887 0 40 KJAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(I)cc3)c2C(N)=O)C1 105315720 VAFKOMOSHKIVNC-GFCCVEGCSA-N 541.480 4.729 0 40 KJAB Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 106701909 YNSHFYUPQGNXPO-HAHDFKILSA-N 501.564 4.688 0 40 KJAB Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)S(=O)(=O)c1ccc(Cl)cc1 108254182 MVZTUJAUSKWUHA-UHFFFAOYSA-N 577.109 4.740 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC(C)C)c2ccc(C)cc2)cc1Br 141492475 XOTCSYJNXXFEQO-UHFFFAOYSA-N 574.497 4.738 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 222452579 LGYIEKSEIWVKBF-DEOSSOPVSA-N 555.663 4.892 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 222548137 LWXLPUONUQOLLP-CJFMBICVSA-N 552.137 4.617 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 222548762 LHFFIDIFEIWESH-GDLZYMKVSA-N 577.653 4.546 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1cc(C)ccc1C 222680010 GBOAYDKKCXZCLJ-DEOSSOPVSA-N 509.444 4.831 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 222806066 YLHWQEXBXVWGSA-HHHXNRCGSA-N 618.569 4.767 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 222974120 UHMXMINIEXJTPW-INIZCTEOSA-N 548.920 4.746 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 222977158 AEPOHZIFMQPUGQ-VWLOTQADSA-N 542.101 4.706 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 222980128 MPDSBDKKJSDXRQ-SANMLTNESA-N 572.127 4.714 0 40 KJAB O=C(NC[C@H]1CCCO1)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl 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COc1ccc(-c2nnc(NC(=O)c3ccc(N(Cc4ccccc4C)S(C)(=O)=O)cc3)s2)cc1 223865511 AFJUKEBOGJHMQW-UHFFFAOYSA-N 508.625 4.741 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 223971775 OVNDHSRVPHYSHX-LJQANCHMSA-N 578.518 4.751 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 223975234 BFUTZDBABWVCPM-SANMLTNESA-N 545.746 4.582 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224331251 SELNQVZATWKRAE-HHHXNRCGSA-N 632.179 4.895 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 224482974 KJUOWYGCAVQNRG-HHHXNRCGSA-N 623.578 4.912 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 224639465 WTJWAKWPRQWXLN-VWLOTQADSA-N 535.710 4.751 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccccc2Cl)cc1)c1ccc(Br)cc1 224680417 KZBOOYKPINGRML-UHFFFAOYSA-N 537.863 4.878 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 224711272 ITUYZCNYDSRUEC-FQEVSTJZSA-N 590.515 4.725 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 224854352 KBDPIZIMCUPCBC-XMMPIXPASA-N 553.700 4.890 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)c1 224948150 HECNMAKBYJCLSU-PMERELPUSA-N 579.738 4.907 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 224984233 HVIQFKRQOBJUKQ-LOSJGSFVSA-N 565.736 4.839 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 225148227 MRRFEAZSSIITRN-HZPDHXFCSA-N 548.920 4.745 0 40 KJAB CCOc1ccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(OC)c(OC)c2)cc1OCC 225322576 KVPNZBIKDAROCZ-PGMHBOJBSA-N 510.612 4.650 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225395287 CFWWKNDOUPHKPQ-DNQXCXABSA-N 611.761 4.548 0 40 KJAB 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O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1 408642298 MTYZVMBUFAKIJP-GDVLYSPXSA-N 587.053 4.914 0 40 KJAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)cc1Cl 408644172 DUWUAIHFQSDDMI-CYBMUJFWSA-N 514.203 4.908 0 40 KJAB O=C(COC(=O)CCCCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)Nc1ccccc1 408679731 GZCACGDEHZZWOU-QYVRTBTHSA-N 522.601 4.621 0 40 KJAB Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc(C)c1Br 408681976 JXIUBMRUAWGQPR-RFGCRWLXSA-N 587.470 4.828 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)cc2)c(C)c1 408703276 QOJMYUCPVWVBDZ-UHFFFAOYSA-N 548.086 4.794 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408826361 LIBNWFIZEZKXMO-NBQDTTAVSA-N 642.730 4.871 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(O)c(OC)c4)c(=O)n32)cc1 408848948 SXDAIPHCJPWYMT-SJJVXOANSA-N 620.525 4.749 0 40 KJAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCc2ccccc2C1 409009676 BHPNONZLABTHFH-UHFFFAOYSA-N 503.451 4.812 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCC(C)C)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 409022310 MVGUYKTVRXEQFU-AHNSQEAUSA-N 568.695 4.979 0 40 KJAB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 409023708 CUTQIFGTCTVLBZ-UHFFFAOYSA-N 509.603 4.722 0 40 KJAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(I)cc(I)c3OCC(F)(F)F)c2=O)=N1 409033667 OOXRPDWYDNXGKH-ACEGTKJHSA-N 754.306 4.949 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc(Br)c1OC 409159613 RKUCXHLKCKYUPP-LICLKQGHSA-N 505.390 4.758 0 40 KJAB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409239569 ZCECEZXRIHPFJL-CIAFOILYSA-N 601.372 4.549 0 40 KJAB COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc1I 409270937 BOFFHINZQGTJHO-ZDLGFXPLSA-N 522.364 4.592 0 40 KJAB COC(=O)c1ccccc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n1C 409349854 VBDQGCFITVSAEK-HXUWFJFHSA-N 550.468 4.766 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl 409354147 YZNDFLHFVUGRTB-ZDUSSCGKSA-N 508.431 4.835 0 40 KJAB COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O 524729738 HLJMUMPCBGWJML-PBBNMVCDSA-N 521.566 4.811 0 40 KJAB biogenic C/C(NCCc1c(C)[nH]c2ccc(OCc3ccccc3)cc12)=C1\C(=O)NC(=O)N(c2ccccc2F)C1=O 575443680 HQTWVAXFALVFRP-DIBXZPPDSA-N 526.568 4.884 0 40 KJAB CC(=O)N1CCCCCCCN(C(=O)c2cccc(OCCN3CCCC3)c2)Cc2ccc(CN3CCOCC3)cc21 643559718 FPXAVQMPORKICC-UHFFFAOYSA-N 576.782 4.953 0 40 KJAB Cc1cc(C(F)(F)F)nn1CCC(=O)N1CCOCCOc2ccccc2Oc2ccc(Cl)cc2NC(=O)C1 643565480 GZNLITYHAIJBQS-UHFFFAOYSA-N 566.964 4.922 0 40 KJAB CC(=O)N1CCCN(CC(C)C)CCN(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)Cc2ccccc21 643566626 USYHTEOBNNETFL-UHFFFAOYSA-N 522.709 4.781 0 40 KJAB COc1cc2c(cc1CN1CCOCCOc3ccccc3Oc3ccc(Cl)cc3NC(=O)C1)OCCO2 643570041 ZMGWGYGNTWDBAW-UHFFFAOYSA-N 541.000 4.762 0 40 KJAB O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1513081 PFPPUHHSEJEEHB-UHFFFAOYSA-N 563.857 4.607 0 40 KJAB COc1ccccc1CNC(=O)C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(C(C)C)cc3)N2C1=O 2968533 NOVTVAPNXFNRLL-VWLOTQADSA-N 569.687 4.856 0 40 KJAB CCc1ccccc1NC(=S)N(CCCN(CC)CC)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 6135458 RSMGUQCFLWUUKL-UHFFFAOYSA-N 508.688 4.793 0 40 KJAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1nc2ccccc2nc1N1CCC[C@H](C)C1 6141954 HOLZFLZIQZTAFB-HNNXBMFYSA-N 505.438 4.828 0 40 KJAB CCCCc1cc(=O)oc2cc(OCC(=O)N3Cc4[nH]c5ccccc5c4C[C@H]3C(=O)OC)c(Cl)cc12 9034013 QNQXIMBSSPETOS-QHCPKHFHSA-N 522.985 4.776 0 40 KJAB biogenic CCCCn1c(S[C@H](CC)C(=O)Nc2cccc(OC)c2)nc2ccc(N3CCOCC3)cc2c1=O 9473768 ZRNKHYFHPSXOPW-XMMPIXPASA-N 510.660 4.551 0 40 KJAB O=C(CCCCCn1c(=O)c2sccc2n(CC(=O)c2ccc(Cl)cc2)c1=O)Nc1ccccc1 9598780 FBFVESQWMITSPB-UHFFFAOYSA-N 510.015 4.960 0 40 KJAB O=C(NCCn1ncc2c(=O)n(Cc3ccc(Cl)cc3)cnc21)C1(c2ccc(Cl)cc2)CCCC1 9823726 UBZWIAKRVVEPAC-UHFFFAOYSA-N 510.425 4.576 0 40 KJAB O=C(O)C[C@@H]1CCN(C(=O)c2cccs2)C[C@@H]1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 12481632 JMIFHCGHFBMGGE-OALUTQOASA-N 509.594 4.532 0 40 KJAB biogenic,in-vitro CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(C(=O)CNC(=O)c1cccs1)c1cccc(C)c1 12488526 VPIVHTWZGAPLAL-RUZDIDTESA-N 507.656 4.874 0 40 KJAB CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 13495947 HRQWLNTUKPAVIL-SVBPBHIXSA-N 514.674 4.815 0 40 KJAB C[C@@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 13670562 VDJREZPMQOLLAT-HXUWFJFHSA-N 508.640 4.828 0 40 KJAB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 16044823 HFMIFAXWMUOUSP-SFHVURJKSA-N 512.031 4.868 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2ccnc2)c2ccc(C)c(Cl)c2)cc1 20487317 FQRJWVHRMVXNSX-UHFFFAOYSA-N 509.031 4.654 0 40 KJAB Cc1ccc(Cl)cc1N(CC(=O)NCc1ccc(-n2ccnc2C)cc1)S(=O)(=O)c1ccccc1 22429370 JLUDQQFFEGEKEN-UHFFFAOYSA-N 509.031 4.654 0 40 KJAB CCOc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3cc(Br)ccc3n2)cc1 22843063 KUKQGWVUWXTDNB-UHFFFAOYSA-N 518.415 4.815 0 40 KJAB 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COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)OC)c3)o2)cc1 225231888 UIAGEARDIJCZPG-SVBPBHIXSA-N 542.617 4.890 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 225250699 XWOVMBGSJWBZGG-QFIPXVFZSA-N 644.588 4.749 0 40 KJAB COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)cc1 225461609 KRXSYXWZIJHXFM-IZZNHLLZSA-N 533.679 4.738 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225520782 TXSBMZYBRLMMBL-VWLOTQADSA-N 535.710 4.749 0 40 KJAB O=C(CC1(COc2ccc(Cl)cc2)CCN(C(=O)c2ccc(F)c(Cl)c2)CC1)N1CCOCC1 257268812 MNHKWZAUFHUMCQ-UHFFFAOYSA-N 509.405 4.683 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 260896407 DJVFYAGEKDBICC-DWACAAAGSA-N 627.735 4.523 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 261022835 WFSVWEQKZXXJDS-PKTZIBPZSA-N 599.725 4.679 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC)S(C)(=O)=O 261104365 WTJXYPLVNQRDIQ-RNWIMVQKSA-N 567.727 4.709 0 40 KJAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)S(C)(=O)=O)cc1C 408548496 SRWZHAAJJMPBJO-OAQYLSRUSA-N 529.684 4.514 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(Br)cc2F)cc1C 408550879 HWXAKRXLZYZRBH-UHFFFAOYSA-N 535.435 4.777 0 40 KJAB COc1cccc2cc(C(=O)Nc3ccc(Cl)cc3Cl)n(NC(=O)C(=O)NCc3ccc(C)cc3)c12 408610790 UKZASCHSJMUAHR-UHFFFAOYSA-N 525.392 4.904 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2cccc(OC(C)C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408631005 YZHSKWGOKHMMRM-UHFFFAOYSA-N 528.627 4.724 0 40 KJAB Cc1cccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)c1 408681913 VZNIPOUFRRZWIN-UHFFFAOYSA-N 536.075 4.634 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408830225 OVADAAHCGXEIED-QPJBPQEWSA-N 572.639 4.544 0 40 KJAB CCOC(=O)c1cccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3cc(Cl)ccc3OC)C(C(=O)OC)=C(C)N=4)o2)c1 408935384 DRACKLCXQDEAHV-LMSRTUJASA-N 593.057 4.507 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 409000616 UHIOZLBQDIXPII-FJSZTYFPSA-N 584.694 4.782 0 40 KJAB COc1ccc(CCNC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 409005713 KEXMFTREEQCWQS-UHFFFAOYSA-N 525.429 4.691 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(N4CCCCC4)o3)c2=O)=N1 409037105 SEAYUGGTIGMBMY-QAHUDSGCSA-N 570.111 4.824 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1 409104669 DMCGRHNJCIHITK-YDZHTSKRSA-N 608.445 4.965 0 40 KJAB Cc1ccc(N(Cc2ccc(C(=O)Nc3ccccc3C(=O)NCC(C)C)cc2)S(C)(=O)=O)cc1C 409112474 DHUAAWDRLXLGGA-UHFFFAOYSA-N 507.656 4.908 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(I)c1OCc1ccc(F)cc1 409132165 NKEVDBFYUPJXCE-RQZCQDPDSA-N 557.337 4.529 0 40 KJAB CCOC(=O)COc1cc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1OC 409206127 MLDOWNDSTWZKSM-ODLFYWEKSA-N 506.374 4.636 0 40 KJAB CCn1cnc2sc(C(=O)N3CCC4(CCCCCc5ccccc5OCCN(C)C4=O)CC3)c(C)c2c1=O 643562419 SDEOJFJFSBYXML-UHFFFAOYSA-N 550.725 4.663 0 40 KJAB Cc1ccc([C@@H](C(=O)NCc2ccc(F)cc2)N(C(=O)Cn2nnc(-c3ccccc3F)n2)c2ccccc2)o1 888061 HNJXQEWJHODDLK-MHZLTWQESA-N 542.546 4.611 0 40 KJAB CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccc(F)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 1374932 AMOYWOSMZYOWEM-AREMUKBSSA-N 542.615 4.873 0 40 KJAB CCc1c(C)sc2nc(SCC(=O)Nc3ccc(C(N)=O)cc3)n(-c3ccc(C)c(C)c3)c(=O)c12 3447517 PAZVUNIQXAYXAG-UHFFFAOYSA-N 506.653 4.765 0 40 KJAB CCOc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1C=C3CCCCC32[C@@H]2C(=O)N(c3ccccc3OCC)C(=O)[C@@H]12 4015855 DNIMYOWRCCDZMV-GIPLTYHDSA-N 540.616 4.526 0 40 KJAB CC(C)C(=O)NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1 5944528 LNAWVLOTUZBIOB-UHFFFAOYSA-N 506.928 4.831 0 40 KJAB COc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 6282866 GESGVOBASNJSQJ-SANMLTNESA-N 516.621 4.846 0 40 KJAB COc1cc([C@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)ccc1OC(=O)c1ccc2c(c1)OCO2 8922854 PPGOIHFQEJNFNF-DEOSSOPVSA-N 521.595 4.900 0 40 KJAB COC(=O)c1c(N2C(=O)[C@H]3[C@@H](C(=O)c4cccs4)N4C=Cc5ccccc5[C@H]4[C@@H]3C2=O)sc(C)c1C 9012210 XRJPOPAWGLBWLU-CZYKHXBRSA-N 518.616 4.611 0 40 KJAB O=C(Nc1ccccc1)[C@H]1[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 9281930 HQSIGFXCYUDQCL-WZYRSQIMSA-N 505.361 4.511 0 40 KJAB CCOC(=O)C1=C(Nc2ccc(Br)cc2)C[C@@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccccc1 9761192 RJEOTYAVVAKHEY-NIRIFSCTSA-N 502.405 4.796 0 40 KJAB O=C(O)[C@H]1CCCC[C@H]1C(=O)NC1CCC(CC2CCC(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)CC2)CC1 16137760 CBLZIJWPVLXHDA-RERRZEAQSA-N 518.695 4.509 0 40 KJAB CN(C)CCCN(C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1nc2c(F)cccc2s1 16837418 CHPNYVRRSWTISR-UHFFFAOYSA-N 532.707 4.987 0 40 KJAB CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)sc2c1CC[C@H](C)C2 17297527 JRKJWPDRIXYPKN-OKZBNKHCSA-N 518.701 4.969 0 40 KJAB CCN(c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1)S(=O)(=O)c1ccccc1 19937914 MAXBOKGUMJJBDR-UHFFFAOYSA-N 507.381 4.821 0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccc(I)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 19946380 UXZIXQYQOBGPTL-UHFFFAOYSA-N 520.392 4.742 0 40 KJAB COc1ccc(CNC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 20011596 NTLXVHYKOHAXMG-UHFFFAOYSA-N 523.438 4.518 0 40 KJAB CCOc1ccc(N(CC(=O)N[C@@H](CC)c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 20454019 YVFSAJIBFHQENS-DEOSSOPVSA-N 512.628 4.565 0 40 KJAB Cc1ccc(CN(c2ccc(OCC(=O)NCc3ccc(Cl)cc3Cl)cc2)S(C)(=O)=O)cc1 22231529 AKDXFBMBJLFCNX-UHFFFAOYSA-N 507.439 4.963 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@H]1c1ccccc1 33445970 YSUHOSNGGCJACV-MSMNXAATSA-N 501.007 4.589 0 40 KJAB COc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2C)C(C)C)cc1 33739441 BYKIEUNDZKQTRV-OAQYLSRUSA-N 502.040 4.643 0 40 KJAB CC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 57641242 DAXSUOUQXSYTNM-VWLOTQADSA-N 530.629 4.563 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccccc3OC)c2=O)=N1 58872096 PFHQTNPDJQKLMR-OGRZUZBBSA-N 504.652 4.711 0 40 KJAB C[C@@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc(Cl)c3)N2C1=O)C(=O)O 70699736 JCNLHCQPZWWHQO-JQRIVJTKSA-N 542.979 4.507 0 40 KJAB biogenic Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3C(=O)NC[C@@H]3CCCO3)C(=O)N21 70700174 URTSUOQWJTVIGT-AVBDLTBHSA-N 534.616 4.868 0 40 KJAB biogenic CSCC[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccc(Cl)cc1 70706850 HWKDOFZZKDCMIZ-NSVAZKTRSA-N 573.118 4.846 0 40 KJAB biogenic CC[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccc(F)cc2)cc1 100380353 KEDDVNGOQOGWOG-VWLOTQADSA-N 573.712 4.609 0 40 KJAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccc(OC)cc2)cc1 100884638 DPSCPAUNQJIQFK-VJBWXMMDSA-N 509.356 4.517 0 40 KJAB Cc1ccc(C)c(N2CCN(C(=O)CCc3nnc4n(Cc5ccc(Cl)cc5)c(=O)c5ccccc5n34)CC2)c1 101023254 MEBSHUUMZAPOJQ-UHFFFAOYSA-N 555.082 4.644 0 40 KJAB COc1cccc(C2=NC3(CCN(C(=O)OC(C)(C)C)CC3)N=C2SCC(=O)Nc2ccc3c(c2)OCCO3)c1 101275042 ZCQHEKXARHDDIH-UHFFFAOYSA-N 566.680 4.767 0 40 KJAB COc1ccc(/C(NCCc2c(C)[nH]c3ccc(OC)cc23)=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 101380704 XUPMVUDJKLPGHO-DQSJHHFOSA-N 538.604 4.628 0 40 KJAB CC(C)C[C@@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 101508676 MPDMUKBWBMNURO-DIKZQZFXSA-N 558.560 4.785 0 40 KJAB CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2)C1 102944411 BCMWLZBJAAMAFI-RBISFHTESA-N 571.721 4.600 0 40 KJAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)O[C@H](C)C(=O)Nc3ncc(Cl)cc3Cl)cc2)cc1 102995378 MWKSSDQXNHSQTK-MRXNPFEDSA-N 582.462 4.561 0 40 KJAB CCOC(=O)c1c(NC(=O)CN2CCN(c3ccccc3O)CC2)sc(Br)c1-c1ccccc1 103007500 AMQHALIJVVQDCX-UHFFFAOYSA-N 544.471 4.821 0 40 KJAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 103135365 GMNQVUZZGWWCFS-UHFFFAOYSA-N 529.833 4.782 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccc(Br)o3)CC2)cc1 104085950 HIZAOPFTKGFBCB-UHFFFAOYSA-N 538.851 4.767 0 40 KJAB COc1c(C)cc(Br)cc1C(=O)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 105353179 YLNQONVLHHDBNX-UHFFFAOYSA-N 554.791 4.813 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 112247466 QRFNOOHDCKKGTN-UHFFFAOYSA-N 550.102 4.513 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 163222731 KRQSRMXETYYGJE-IDQDRXHYSA-N 795.231 4.787 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 215919474 HNTXGIGYABFADC-UHFFFAOYSA-N 568.504 4.972 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 222614200 DTGMKYSMNGWNKX-QHCPKHFHSA-N 627.388 4.908 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 222705012 JGINHFPFDYHJAE-SFHVURJKSA-N 566.482 4.800 0 40 KJAB CCOC(=O)c1c(NC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)sc2c1CCCC2 222839754 MSRYLUSZFMTGOJ-UHFFFAOYSA-N 513.081 4.950 0 40 KJAB CCOCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 223148121 PYENGCDCLLPZRX-HHHXNRCGSA-N 509.046 4.902 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 223173239 NYBBAMSBZSTSBE-JKSUJKDBSA-N 593.371 4.854 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223279352 ANWGEBWAQOEGMS-FQEVSTJZSA-N 540.101 4.667 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223352421 IENAYUGJSHTNGH-XMMPIXPASA-N 668.596 4.777 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 223449940 NFHHZDGYWFGMPL-FYBSXPHGSA-N 563.764 4.933 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 223753750 KBHUKEVLFLVESR-GOSISDBHSA-N 566.482 4.881 0 40 KJAB Cc1[nH]c(C)c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1I 223885369 AJYVGZJLZPJVTC-NHCUHLMSSA-N 517.440 4.874 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 223903237 LSUCIMHUMVGKTC-SFHVURJKSA-N 596.508 4.890 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 223984888 DIOMQCQRHUPZAF-QFIPXVFZSA-N 599.775 4.565 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224008056 IIKWGJPWFZVJDF-LJAQVGFWSA-N 625.788 4.940 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 224103631 IWVAUELPQNOFEY-AREMUKBSSA-N 586.552 4.896 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 224203655 LAZMGVHMVZDDCR-NDEPHWFRSA-N 549.737 4.624 0 40 KJAB COc1cccc(N(CCCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 224345805 QPYUQNHSDPACJD-IBGZPJMESA-N 572.555 4.738 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 224390910 OCVBNEDTAXQJDZ-AREMUKBSSA-N 712.448 4.986 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Br)cc1 224534761 OBPDMUDQTNOQLD-MUUNZHRXSA-N 646.604 4.995 0 40 KJAB COc1cc2c(cc1OC)N(Cc1ccccc1F)S(=O)(=O)C(C(=O)NCCOc1ccc(Cl)cc1)=C2C 224593376 ALRSYPXKKIKFBN-UHFFFAOYSA-N 561.031 4.773 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 224671517 ASOHWRFRXBTXSW-QFIPXVFZSA-N 542.101 4.787 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 224771048 HADIDCTVWANKBA-GOSISDBHSA-N 584.964 4.735 0 40 KJAB Cn1c(=O)sc2cc(NC(=O)CN(c3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)ccc21 225025573 JLHDPZVKZHLEKF-UHFFFAOYSA-N 522.435 4.741 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 225252610 LHHUISZSTPLJAV-QFIPXVFZSA-N 580.589 4.946 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 225297435 STPYELBLADKYSG-SSEXGKCCSA-N 563.764 4.934 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 225298891 RHLYGDKZUVQDKW-GDLZYMKVSA-N 579.763 4.634 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 225559936 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Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100398577 OWCWMOYRZUFRIP-JULCDOBOSA-N 509.389 4.595 0 40 KJAB COc1ccc(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCN2[C@H]3CC[C@@H]2C[C@H](OC(=O)c2ccc(OC)c(OC)c2)C3)cc1OC 100763572 KOCZJZLYLZKBJT-PLGSKLNOSA-N 608.732 4.726 0 40 KJAB biogenic COc1cc(OC)cc(C(=O)Nc2cc(C(=O)Nc3cccc(C)n3)ccc2N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 100849217 JATNLSYQFMGQOH-URXFXBBRSA-N 579.657 4.697 0 40 KJAB Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(N2CCN(c4cccc(Cl)c4)CC2)c2sccc23)c1 101272780 CHECQPOERNWFES-UHFFFAOYSA-N 539.086 4.769 0 40 KJAB Cc1ccc(NC(=O)COc2ccccc2N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1C 102922727 FLTSQWIQBMWUQV-UHFFFAOYSA-N 547.599 4.851 0 40 KJAB CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 103087116 RTMDNEMORRMDHE-LJQANCHMSA-N 539.510 4.677 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2)c2cc(Cl)ccc2OC)cc1OC 106378835 ZXWSVVXYTIDPNH-UHFFFAOYSA-N 565.113 4.611 0 40 KJAB 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CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 225114109 JYCALTUCZWQXJK-RUZDIDTESA-N 625.573 4.622 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)COc1ccc(I)cc1 225172022 NHTLUHMOOFWVDU-KRWDZBQOSA-N 538.401 4.675 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2cccc3cccc1c23 225247857 CIGBJRZJLCWOIQ-GOSISDBHSA-N 522.443 4.896 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 225291351 WZJDDFWROFXPEW-NRFANRHFSA-N 593.371 4.856 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 225497748 SMROHBVPULMYCA-FUFSCUOVSA-N 565.736 4.921 0 40 KJAB CCCSc1nnc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)s1 225795456 NXDOBZDTZWSCMD-UHFFFAOYSA-N 513.091 4.919 0 40 KJAB COc1cccc(N(C)C(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)c1 226026468 POSFBVQZNFPNKO-UHFFFAOYSA-N 517.445 4.620 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)c2ccccc2C)cc1 260747837 PABWBCCWOIFNGY-RUZDIDTESA-N 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CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 260981646 BEHWRAHNEQSJEI-SVEHJYQDSA-N 579.763 4.633 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC)S(C)(=O)=O 261047051 LJWKZRQAAIWHCV-HLADLETHSA-N 579.763 4.578 0 40 KJAB O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 408583746 JNPIMRLLMYQCTE-OAQYLSRUSA-N 513.457 4.756 0 40 KJAB COc1ccc(N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl 408597765 YAEUEABIEYKOFB-UHFFFAOYSA-N 578.518 4.863 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1 408649080 XEYBOJJPOZFHKT-WCGMZUJWSA-N 587.053 4.914 0 40 KJAB CCOc1ccccc1NC(=O)CN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408668323 WBJMMFUVDUMZJU-SIQOOTDXSA-N 521.400 4.617 0 40 KJAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCC(=O)Nc4cc(C)c(Br)cc4C)cc3)C(=O)[C@H]12 408685888 MERWGNTZZMLMAD-GOMRNUEMSA-N 537.410 4.563 0 40 KJAB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](c5ccccc5)C[C@H]4C3=O)cc2)c1 408686398 NAHQBWYBEZQUAJ-FTBPSBKWSA-N 542.588 4.573 0 40 KJAB Cc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)c1 408689691 SMEBPFXJAMEXMX-WXKCRGFDSA-N 508.574 4.720 0 40 KJAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)c1 408702311 BCEBGEQBRANILG-RUZDIDTESA-N 539.009 4.940 0 40 KJAB COc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(F)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 408924121 QHTFPTAEZPWYJL-GJFKPFFXSA-N 534.012 4.675 0 40 KJAB O=C(O)c1ccc(COc2ccccc2/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 408930011 QVANFEDULITUOM-FYJGNVAPSA-N 507.340 4.819 0 40 KJAB CCOC(=O)c1ccc(Cn2cc(/C=c3/sc4n(c3=O)[C@H](c3ccc(OCC)c(OCC)c3)C(C(=O)OC)=CN=4)c3ccccc32)cc1 408943844 MIDYNVUFWPHDRQ-URPLVSFPSA-N 665.768 4.995 0 40 KJAB CC(=O)Nc1ccc(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 409090449 NGULDZDLBUXFOB-UHFFFAOYSA-N 506.411 4.781 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(Br)c(Sc4ncccn4)o3)c2=O)=N1 409104229 BXZGMALARIUGNG-FCKOQQNDSA-N 671.595 4.892 0 40 KJAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cc(Cl)cc(Cl)c1 409122333 XZINVKHJRGIXFQ-UHFFFAOYSA-N 511.358 4.738 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409251843 QKRWQTZZAMXZIZ-LPYMAVHISA-N 615.399 4.939 0 40 KJAB CCn1c(SCC(=O)Nc2ccccc2OC)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl 409365983 YINHSHVNRGKKFW-CYBMUJFWSA-N 508.431 4.835 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1OC 409374536 SDBQPAVVVLSRKR-RGVLZGJSSA-N 638.480 4.842 0 40 KJAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OC(=O)c1ccc(Br)cc1 409406329 BTMYQAJCMOLBFQ-UNOMPAQXSA-N 569.364 4.540 0 40 KJAB Cc1ccc2nc(COCC(=O)N3CCC4(CCCCc5ccccc5OC[C@@H]5CCCN5C4=O)CC3)[nH]c2c1 643557107 DIZFVLYDYSOGTL-VWLOTQADSA-N 544.696 4.793 0 40 KJAB CC(=O)N(C)CCC[C@H]1C(=O)N(C)CCCCN(C(=O)c2cccc(C(F)(F)F)c2)CCCOc2ccccc2C(=O)N1C 643560286 JKCKRSYJERLCAA-MHZLTWQESA-N 618.697 4.568 0 40 KJAB CN(C)CCCOc1cccc(C(=O)N2CCOCCOc3ccccc3Oc3ccc(Cl)cc3NC(=O)C2)c1 643565908 RQRBVGQHYIHUNL-UHFFFAOYSA-N 568.070 4.953 0 40 KJAB CCCn1cc(C(=O)N2CCN(CC(C)C)CCCN(C(=O)Cc3ccccc3)c3ccccc3C2)cn1 643567041 MVOBMRRJSXWUJH-UHFFFAOYSA-N 515.702 4.873 0 40 KJAB O=C(c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 813253 DMQYSAWCCWKBME-UHFFFAOYSA-N 588.922 4.594 0 40 KJAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1 890660 AQMVUTSTVKBCEG-UHFFFAOYSA-N 506.525 4.751 0 40 KJAB COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1OC 902410 FQLQTVZJQTZRSB-GDLZYMKVSA-N 545.615 4.811 0 40 KJAB COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2cnc3ccccc3c2)cc1O 906202 UXSAWRUULVGJRT-WJOKGBTCSA-N 564.646 4.917 0 40 KJAB COc1cccc([C@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2cccc(C)c2)c1 1372601 DDCSCWJZAOCEIY-SSEXGKCCSA-N 519.605 4.839 0 40 KJAB CCCC(=O)N(c1ccc(N(C(=O)CCC)S(=O)(=O)c2cccs2)cc1)S(=O)(=O)c1cccs1 1795885 LBVFBHXZZAXSEE-UHFFFAOYSA-N 540.710 4.854 0 40 KJAB CCOC(=O)Cc1c(NC(=O)CSc2nc(N)c3c4c(sc3n2)CCCC4)sc2c1CCCC2 1819644 OXAFBYCJQVRESH-UHFFFAOYSA-N 516.714 4.929 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Oc2ccc3c(C)cc(=O)oc3c2C)cc1 2151602 PEZBBMDEQWTDNV-VWLOTQADSA-N 530.602 4.695 0 40 KJAB biogenic COC(=O)c1sc2ncn3nc(-c4cnn5c4N[C@H](c4ccc(OC)cc4)C[C@@H]5C(F)(F)F)nc3c2c1C 2804531 BAMUTQHQYIZZCT-JKSUJKDBSA-N 543.531 4.966 0 40 KJAB O=C(COC(=O)c1cccnc1SCC(=O)N[C@@H]1CCCc2ccccc21)N[C@@H]1CCCc2ccccc21 3221185 LQBWOZHMNRLJJN-CLJLJLNGSA-N 529.662 4.718 0 40 KJAB COc1cccc(C(=O)Oc2c(S(=O)(=O)c3ccccc3)c(C)nn2-c2ccc(C)cc2C)c1OC 9559100 XSEGIUJKKGRIPR-UHFFFAOYSA-N 506.580 4.867 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c1C 10442629 NZJJFDHFNCRYIU-UHFFFAOYSA-N 510.612 4.631 0 40 KJAB COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2cc(C)on2)c2cccc(C)c2)cc1 12492654 GPYDCJCNDNKUBH-AREMUKBSSA-N 506.603 4.708 0 40 KJAB COc1ccc(NS(=O)(=O)c2cc(NS(=O)(=O)c3ccc(C)c(C)c3)ccc2N2CCCCC2)cc1 25396162 KXDFWJZORSPJBG-UHFFFAOYSA-N 529.684 4.904 0 40 KJAB CCOc1ccc([C@H](C)NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)cc1 30862125 WHDPRHFPAGEVIR-XDHUDOTRSA-N 501.004 4.572 0 40 KJAB COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N4CCC(C(=O)O)CC4)C(=O)N32)c1 38139980 YNEKLTQTLQODKL-YTMVLYRLSA-N 578.625 4.596 0 40 KJAB biogenic COCc1nn2c(ncc3c(=O)n(NC(=O)c4ccc(Cl)cc4Cl)ccc32)c1-c1ccc(F)cc1 40397194 OARSQOURBRHPFH-UHFFFAOYSA-N 512.328 4.687 0 40 KJAB COc1ccccc1N1CCN(C(=O)c2ccc(Cn3c(=S)[nH]c4ccc(Br)cc4c3=O)cc2)CC1 59525142 FBUVZOQOWWEZNP-UHFFFAOYSA-N 565.493 4.841 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2cccc(C)c2C)cc1 60018450 JSLKPDOGVNJEJD-UHFFFAOYSA-N 564.689 4.642 0 40 KJAB CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1)c1nc2ccc(OC)cc2s1 60209686 NSCCSILAAIBZHX-OYRHEFFESA-N 558.770 4.960 0 40 KJAB C[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc(Cl)c3)N2C1=O)C(=O)O 70700679 JCNLHCQPZWWHQO-RKPBBICVSA-N 542.979 4.507 0 40 KJAB biogenic CC(C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccc(Cl)cc1 70701429 MLVDUYSTMFMLEP-NSVAZKTRSA-N 541.051 4.748 0 40 KJAB biogenic O=C(NCCN1C(=O)S/C(=C\c2cccs2)C1=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 97980234 SSXRXFVYYOXYTP-QNGOZBTKSA-N 574.105 4.619 0 40 KJAB CC(C)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(O)n2)cc1 97999345 NPJUVVWSLCRWOZ-UHFFFAOYSA-N 522.446 4.632 0 40 KJAB COc1cccc(Nc2nc([C@@H](C)N3CCN(S(=O)(=O)c4ccc(-n5cccn5)cc4)CC3)nc3ccccc23)c1 100035976 ZEWCYBIMGOPLGO-JOCHJYFZSA-N 569.691 4.635 0 40 KJAB COc1ccc(OC)c([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2F)c1 100363800 YDKYCSCQTOIBFK-GDLZYMKVSA-N 545.615 4.811 0 40 KJAB CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)cc1OC 100364905 SLHAFGKKZOMADM-SSEXGKCCSA-N 541.652 4.980 0 40 KJAB COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)c(F)c2)c1OC 100365371 DITYJKCWXSFBQW-MUUNZHRXSA-N 545.615 4.729 0 40 KJAB CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2cccc(OC)c21 100820332 ACFMBHAKLVISFK-RQZHXJHFSA-N 507.637 4.614 0 40 KJAB O=C1[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 101400888 ALNFNBUSPHKOQL-IMBSWCNGSA-N 531.399 4.642 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1OC 102884493 LWCBBPYHTNHVLB-SSUZURRFSA-N 559.416 4.865 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@@H]1c1ccccc1OC 103627478 RLAHZJVHYGMKBT-XSZPGNIMSA-N 535.021 4.720 0 40 KJAB O=C(COC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)Nc1ccc(I)cc1 104533127 QAWQGYPEOQELRJ-IJKBLAIYSA-N 518.189 4.507 0 40 KJAB CCCCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@@H](C(=O)c4ccco4)[C@@H]3C2=O)cc1 106535567 HUFNATHZLQQDAQ-BKKFENPESA-N 510.546 4.635 0 40 KJAB O=C(CCCCCCC(=O)c1ccc2c(c1)OCCOCCOCCOCCO2)c1ccc2c(c1)OCCOCCOCCOCCO2 150628069 RWTRKFOXCOTFCE-UHFFFAOYSA-N 674.784 4.735 0 40 KJAB O=c1/c(=C/c2ccccc2O)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 167081303 JFGVBMJOQUHPLE-LWUPDDLQSA-N 515.432 4.787 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 222592650 BAQCBLRYGCBWBX-QDPGVEIFSA-N 611.736 4.557 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)Nc1ccc(CC(=O)N2CCCC2)cc1 222730260 SWBAWKAYJVGOOS-UHFFFAOYSA-N 561.582 4.689 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 223070786 IMCSRHKDFZGRFD-MUUNZHRXSA-N 535.710 4.669 0 40 KJAB Cc1c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n(-c2cccc(Cl)c2)c1C 223128283 JEUOARSSUVOJJP-CLJLJLNGSA-N 510.107 4.756 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 223166201 RWKGMAZLVDNSEU-HZPDHXFCSA-N 593.371 4.854 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(Br)cc1 223180563 NDKNSYWIMNCPGQ-CVEARBPZSA-N 526.269 4.922 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 223290519 AEMLBZSOMMCFDK-QHCPKHFHSA-N 566.482 4.881 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 223399184 JOODTJRLZCNJEY-XMMPIXPASA-N 552.137 4.617 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 223403192 PNXBGWQBCUJXTM-HHHXNRCGSA-N 574.118 4.802 0 40 KJAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2c(C)[nH]c(C)c2I)cc1 223410763 GOCHDDMKMQVNJB-LEWJYISDSA-N 518.424 4.812 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223524963 ZEQFVSYTCGTASP-NEKDWFFYSA-N 570.155 4.824 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223639294 MOADUXXMXXVGOX-SANMLTNESA-N 529.747 4.782 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 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O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 225045147 FZYAPMLWMWRHFW-AREMUKBSSA-N 614.551 4.837 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 225207433 HFUHECWHLXBQOQ-OAQYLSRUSA-N 548.920 4.746 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 225447856 KQJWGGRZRLBSAH-JOCHJYFZSA-N 586.552 4.733 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 225476439 PAIGJOHSRQLVQI-QFIPXVFZSA-N 586.552 4.733 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 225623880 ICFZNSZNOOMLDP-FDDCHVKYSA-N 542.529 4.790 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 225662561 KLACZFRFDAKSNR-NTKDMRAZSA-N 540.101 4.747 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 225682806 BKAFXRDYZBXFGV-MZNJEOGPSA-N 570.539 4.684 0 40 KJAB 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CCS(=O)(=O)N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)c1ccc2c(c1)OCCO2 224344568 OLENVMJKAXOOFI-MHZLTWQESA-N 628.191 4.822 0 40 KJAB O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(CN2CCOCC2)cc1 224545004 RHGUJZFABRODMV-UHFFFAOYSA-N 582.044 4.703 0 40 KJAB COc1cccc(CN(C(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224638723 XDOMHOHNQRIVAR-LJAQVGFWSA-N 637.799 4.567 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 224898740 SPMHNPFLGDKBSQ-MRXNPFEDSA-N 593.371 4.774 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 224944096 TYCJVUSNINOEAV-NDEPHWFRSA-N 549.737 4.812 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 224951643 BPJJUURRRRNOIL-PMERELPUSA-N 579.738 4.853 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225164004 RIRKSQVWBWTMBD-RBUKOAKNSA-N 542.529 4.872 0 40 KJAB CCSc1nnc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3cc(C(C)(C)C)ccc3O2)s1 225207149 XUTPKPZWRHACPJ-IBGZPJMESA-N 518.686 4.543 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 225216656 OTUJXQZAECHFOS-QFIPXVFZSA-N 646.604 4.995 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 225305535 CNLQIKJBIPFNPR-IAGOWNOFSA-N 518.441 4.702 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 225577564 QWSUUUPLRFTNHJ-FQEVSTJZSA-N 546.064 4.616 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 225609825 MSVZHOVKQGYAEQ-CJFMBICVSA-N 552.137 4.617 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 225639014 WBVBSNOLSAPJJT-GOSISDBHSA-N 550.508 4.855 0 40 KJAB COc1cccc(OC)c1CNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 226015112 MSVAQSCSRXLSEM-UHFFFAOYSA-N 537.465 4.826 0 40 KJAB CCC[C@H](NC(=O)/C(C#N)=C/c1nc(Cl)ccc1Cl)c1ccc(OCCN2CCOCC2)cc1 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CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 261010322 UCFDXCQSXMCTCR-FIPFOOKPSA-N 553.700 4.786 0 40 KJAB COc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408544356 SPBDTLCCZVVVCX-ITYLOYPMSA-N 525.605 4.993 0 40 KJAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408579998 PMLDBCHEATWMEC-INIZCTEOSA-N 526.376 4.644 0 40 KJAB O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 408583745 JNPIMRLLMYQCTE-NRFANRHFSA-N 513.457 4.756 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccccc3F)c(=O)n2[C@@H]1c1ccc(C)cc1 408824788 HRXIEOZENFBUHB-YNMQQHPQSA-N 572.658 4.833 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408851325 BKPYCGKXHDKLFQ-FUFNRSNVSA-N 586.666 4.852 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC 408909554 VBTBGTQORWCBGP-SELCLYCASA-N 658.729 4.522 0 40 KJAB 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4.959 0 40 KJAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(Br)c(Cl)c1 409354091 XYNWTPWQCGLZDY-UHFFFAOYSA-N 522.856 4.934 0 40 KJAB O=C1C[C@@H](c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)N2NC=NC2=N1 409384232 BMSJMDBWBHTKOX-HNNXBMFYSA-N 512.589 4.620 0 40 KJAB CCN1CCCCCCN(C(=O)c2cccc(N)n2)[C@@H](Cc2ccccc2)COc2ccccc2C1=O 643583433 UFFMEIMOMZXAIR-DEOSSOPVSA-N 500.643 4.832 0 40 KJAB CC(C)C[C@H](C(=O)O)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 938093 CJYNFBNGCWLKLL-RXMQYKEDSA-N 576.861 4.832 0 40 KJAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2093874 PNWJEWNEIJWZMH-MSYCTHLASA-N 525.436 4.534 0 40 KJAB biogenic COc1ccccc1CNC(=O)CC[C@H]1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O 2967355 OAHFYHXMYDBWJH-HSZRJFAPSA-N 516.598 4.823 0 40 KJAB COc1ccccc1NC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 6177048 HWKBNTJEPZXLNM-UHFFFAOYSA-N 533.606 4.682 0 40 KJAB CC1(C)CCc2c(cc(OCC(=O)NCCc3c[nH]c4ccc(F)cc34)c3c4c(c(=O)oc23)CCC4)O1 8876992 YQYXYICKUBAZPW-UHFFFAOYSA-N 504.558 4.743 0 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CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCC(=O)O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409016401 SHLKOONFYIIELN-VTAYSDJUSA-N 665.587 4.883 0 40 KJAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3cc(Br)cc(I)c3O)c2=O)=N1 409061159 WJEIUGPJGBVFHU-KHVWPYCOSA-N 673.754 4.913 0 40 KJAB COc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Br)c1OCc1ccccc1Cl 409068980 VCIVWPHLMWBKHG-UHFFFAOYSA-N 682.018 4.815 0 40 KJAB COC(=O)C[C@@H](c1ccc(F)cc1Cl)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O 524731306 SBJDCNGNCZPSNJ-MRDQGFSESA-N 515.921 4.817 0 40 KJAB biogenic Cc1onc(-c2cccnc2)c1C(=O)N1CCC2(CCCCCc3ccccc3OCCN(C)C2=O)CC1 643561880 CANCDHMBKCEHAT-UHFFFAOYSA-N 516.642 4.921 0 40 KJAB COc1ccc2c(c1)c(CN1CCC3(CCCCNC(=O)c4ccccc4OCCNC3=O)CC1)cn2C(C)C 643566767 VQQFPSUSPIASLM-UHFFFAOYSA-N 546.712 4.922 0 40 KJAB CC(C)c1nccn1CCCNC(=O)c1cccc2c1CN(Cc1ccccc1)CC(=O)NCCCCCO2 643573817 YKIOXCJPIKIOGM-UHFFFAOYSA-N 531.701 4.508 0 40 KJAB COC(C)(C)/C=C/C[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC[C@@]3(CC[C@@]12C)[C@H]4CC[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)C5(C)C 1077995408 MQGABSJZVJOSCX-DGXGEVKOSA-N 632.879 4.773 0 40 KJAB biogenic CCC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)CCCn3cncn3)Cc3ccccc31)N2CCC(C)C 2037942955 RSQLWJSQDDDEFQ-FTJBHMTQSA-N 508.711 4.503 0 40 KJAB COc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(C)c(Cl)c3)cc2c1 918224 REDZGPOGWUOTJD-UHFFFAOYSA-N 526.998 4.618 0 40 KJAB COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 2180160 QPRLNXFIMOZJCW-MOSHPQCFSA-N 528.380 4.878 0 40 KJAB Cc1c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3Cl)c2)c(=O)n(-c2ccccc2)n1C 3215540 AWMLBUYPXBGNJF-UHFFFAOYSA-N 545.448 4.869 0 40 KJAB C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(NC(=O)c3cccs3)nc1[C@H]2CC(=O)NCc1ccccc1 4222159 XRWUTJCAZDUHGZ-MIXFGSNYSA-N 539.723 4.579 0 40 KJAB biogenic,in-vitro CO[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 4706142 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CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc4c(=O)n5c(nc4c3)CCCCCC5)n2)s1 14066156 BJBAMRXNQPDSLO-UHFFFAOYSA-N 507.641 4.586 0 40 KJAB O=C(NC(=S)Nc1ccc(I)cc1C(=O)O)c1ccc(-c2ccccc2)cc1 16493079 ZRSYOUKQFJYEKJ-UHFFFAOYSA-N 502.333 4.783 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 33937094 XPVMHRXQXGGDEF-XNMGPUDCSA-N 516.646 4.554 0 40 KJAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1OC 59836778 UWCFLMNZAPRYDM-CYBMUJFWSA-N 540.482 4.781 0 40 KJAB CS(=O)(=O)N(CC(=O)NCCSCc1ccc(Cl)cc1Cl)c1cccc(Br)c1 59885853 GNYIQWDENGUZOH-UHFFFAOYSA-N 526.305 4.572 0 40 KJAB COc1cc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc(Br)c1OCc1ccccc1 62715011 KNJBFZGTQQJXNZ-GNNUASRNSA-N 510.384 4.862 0 40 KJAB Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2CCN(C(=O)c3cccc(C)c3)CC2)cc1 64789812 URDRFQHKSCGPHW-UHFFFAOYSA-N 507.637 4.815 0 40 KJAB CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCCN4CCOCC4)C(=O)N32)cc1 70666038 FOWYGNCDARROFK-XDFJSJKPSA-N 591.712 4.836 0 40 KJAB biogenic Cc1cccc2nc(CSc3nnc(-c4ccc(Br)o4)n3Cc3ccccc3)cc(=O)n12 89689068 IAVYPIQCHAXTNO-UHFFFAOYSA-N 508.401 4.958 0 40 KJAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1N=C2/C(=C\c3ccc4c(c3)OCO4)CCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 97983406 RMBKCDSIXGFPTM-RWMYAWBFSA-N 629.691 4.602 0 40 KJAB CCN(CC)C(=O)c1sc2nc(SCC(=O)NCCOc3ccccc3)n(-c3ccccc3)c(=O)c2c1C 98023050 GFYHQYRBWYAACA-UHFFFAOYSA-N 550.706 4.525 0 40 KJAB COc1cc(CN2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)ccc1OCc1ccccc1 98045187 CXGIEIXCXSILFH-UHFFFAOYSA-N 557.691 4.559 0 40 KJAB COc1cc(OC)cc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)CCC3)c1 100364293 NIGZGCGNNDMWKX-GDLZYMKVSA-N 541.652 4.626 0 40 KJAB COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)CNC(=O)c2cccs2)c2cc(C)ccc2C)cc1OC 100414557 QCFVPEILOYFVRJ-SANMLTNESA-N 537.682 4.801 0 40 KJAB CC[C@H](Sc1nc2cc(OC)c(OC)cc2c2nc(CCn3nc(C)cc3C)nn12)C(=O)Nc1cccc(OC)c1 101308131 NNNXVYRETRWXFS-VWLOTQADSA-N 575.695 4.869 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc(OC)cc2)c2ccc(OC)cc2)cc1 101387330 JUKIGGXNDCYKCJ-HKBQPEDESA-N 565.630 4.866 0 40 KJAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1)c1ccc(OCc2ccccc2)cc1 102085869 XKEYAQVDDHOFAE-CTKUEYQLSA-N 533.580 4.863 0 40 KJAB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 103101755 LELFHUFQCSKLGN-UHFFFAOYSA-N 544.560 4.900 0 40 KJAB COc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4cccc(C(F)(F)F)c4)N4C=Cc5ccccc5[C@H]4[C@@H]3C2=O)cc1 103526335 FFCRDQXEULCJCN-NGSHPTGOSA-N 533.506 4.868 0 40 KJAB COc1ccc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2Cc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2)OCO4)cc1 150444889 SAHPLNNJGUARBW-UHFFFAOYSA-N 682.755 4.903 0 40 KJAB COc1ccc(CCNC(=O)[C@H](CCSC)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc1 150653850 FBXPQFXKTAXTPO-YTMVLYRLSA-N 649.810 4.764 0 40 KJAB biogenic CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc(I)c1OCC(=O)OC 214625003 MWYSZCVVNIXOEZ-YBFXNURJSA-N 567.401 4.787 0 40 KJAB 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CC(C)(C)c1ccccc1OCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 223715944 DOXHIRDSJBJVTP-VWLOTQADSA-N 529.058 4.789 0 40 KJAB CC(C)(C)c1ccccc1OCCNC(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223727663 NTHMLBAUKLHBOS-UHFFFAOYSA-N 500.583 4.744 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 223914264 HVBALPBDFYLMOQ-INIZCTEOSA-N 560.931 4.889 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 224177164 JLAOKELELXENEN-AREMUKBSSA-N 574.118 4.800 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1 224289012 BYUISZFUAOLLJA-QFIPXVFZSA-N 557.663 4.658 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 224374606 WFNHWBHHBLHLGP-VWLOTQADSA-N 637.515 4.569 0 40 KJAB CN(C)S(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)c1ccccc1 224375342 MYMXSPCOLMEYGP-MHZLTWQESA-N 585.170 4.508 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 224589821 JONJYAMGRBGXGK-MUUNZHRXSA-N 586.154 4.589 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224635831 LSWOCGIAGQYWAH-MHZLTWQESA-N 553.700 4.909 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(CN3CCCCC3)c2)c2cccc(Cl)c2)cc1 224659310 CALOOZWQLGWADJ-UHFFFAOYSA-N 542.101 4.846 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(I)cc1 224661090 UMLDEIGTMIVNDF-QFIPXVFZSA-N 522.427 4.558 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 224980718 SWDIVGJOBUKDNZ-MUUNZHRXSA-N 589.680 4.815 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 225027481 MZAAPGQHJFWPET-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB CC(C)n1c(=O)sc2cc(NC(=O)[C@H](C)N(c3ccc(Cl)c(Cl)c3)S(C)(=O)=O)ccc21 225170955 IVYUJWVSVBVDMA-LBPRGKRZSA-N 502.445 4.744 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 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CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225180204 WTCLHLKIAVFGGO-MHZLTWQESA-N 599.725 4.680 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 225420943 JNQOVNHZWMQIIY-HHHXNRCGSA-N 592.108 4.941 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 225527246 PNTPFMFUVKTUPW-HKBQPEDESA-N 599.753 4.893 0 40 KJAB Cc1ccc(-c2noc(CNC(=O)c3ccc(CN(c4c(C)cccc4C)S(C)(=O)=O)cc3)n2)cc1 225831426 IGFLLSSWWAGMQX-UHFFFAOYSA-N 504.612 4.558 0 40 KJAB CC1CCN(c2cc(Sc3ncccn3)nc(NC(=S)NCC3(c4ccc(F)cc4)CCOCC3)n2)CC1 226001050 SBGFKSPSJPMLDD-UHFFFAOYSA-N 553.733 4.828 0 40 KJAB COc1ccc(C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)cc1S(=O)(=O)NC1CCCCC1 226045576 BQTWTUNNSWNNJU-UHFFFAOYSA-N 512.632 4.656 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 260811021 UKHDYVYTHRFAIY-QGZVFWFLSA-N 542.529 4.654 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 260970769 MKNJMXYRLQCDCT-YKSBVNFPSA-N 566.562 4.554 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 261100307 VZWWTTZVEBOKEK-ZBLYBZFDSA-N 618.569 4.909 0 40 KJAB COc1ccc(N(CC(=O)Nc2cc(C)ccc2OC)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl 408596348 UKAUMHGYXHJSHT-UHFFFAOYSA-N 519.019 4.817 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 408616415 YWQVWGGIXKLQLW-UHFFFAOYSA-N 527.618 4.587 0 40 KJAB COc1cc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(OC)cc1Cl 408624935 WAEBFRIDRDEOTQ-UHFFFAOYSA-N 523.438 4.883 0 40 KJAB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)ccc1Br 408651363 DGZJQDPNEJROBI-GFCCVEGCSA-N 500.176 4.599 0 40 KJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)cc1 408682744 GTLRXQLHUNHHPS-NYFKNOIKSA-N 545.817 4.908 0 40 KJAB Cc1cccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1C 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571.095 4.646 0 40 KJAB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N1CCN(c2ccc(F)cc2)CC1 409087550 BOMCKANYZVMFHC-UHFFFAOYSA-N 580.907 4.781 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3\C(=O)N(Cc4ccccc4)c4ccccc43)c(=O)n2[C@@H]1c1cccs1 409109436 DVKKHZKGMWRYHX-PTTHCQGZSA-N 603.725 4.914 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)sc2c1CCCC2 409118479 QMHJNFNAIQCAEK-UHFFFAOYSA-N 558.678 4.655 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 409140526 IOYXVVNRCWINQO-FAAWKKKDSA-N 638.727 4.815 0 40 KJAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 409175233 YHFLRPNWMOZQAA-UHFFFAOYSA-N 601.700 4.726 0 40 KJAB COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1OC 409195720 RUMQHFVPLUOLFH-UHFFFAOYSA-N 539.437 4.549 0 40 KJAB CCOc1cc(C(=S)N2CCCCC2)cc(I)c1OCC(=O)Nc1ccc(OC)cc1 409264955 HFBLUHLTDKWGSY-UHFFFAOYSA-N 554.450 4.877 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc(Br)c1O 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CC1(C)O[C@H]2[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H](n3cnc4c(N)ncnc43)[C@@H]2O1 4823720 WEESNKCZWANQSJ-KHJGLVBMSA-N 549.631 4.835 0 40 KJAB Cc1ccc(C)c(N2CCN([C@@H](c3cc4cc(C)ccc4[nH]c3=O)c3nnnn3Cc3ccc(F)cc3)CC2)c1 6281699 DDJIKAQPZGZCDD-LJAQVGFWSA-N 537.643 4.539 0 40 KJAB O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)N(Cc1ccccc1)Cc1cccnc1)OCO3 6446156 WBSNDXJKUGPIGN-NDEPHWFRSA-N 535.608 4.545 0 40 KJAB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccccc2OC)cc1 6924826 USUDKSRYQVATTH-MHZLTWQESA-N 539.588 4.642 0 40 KJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 8431520 MLASZEUJFPJEAY-VGSCBBJJSA-N 506.687 4.986 0 40 KJAB biogenic COCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3C)N2C1=O 8790346 XJODPMURFNAADD-XCZPVHLTSA-N 522.605 4.726 0 40 KJAB biogenic COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2)cc1OC 8931618 OPCNHLCGIRVPQO-OAQYLSRUSA-N 509.002 4.648 0 40 KJAB Cc1ccc(Cn2c(=O)c3ccccc3n3c(CCC(=O)N4CCC(Cc5ccccc5)CC4)nnc23)cc1 9831411 IWWJKUSQRMJXPQ-UHFFFAOYSA-N 519.649 4.815 0 40 KJAB CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 11865688 WEPGZCMPOCNILJ-NRFANRHFSA-N 504.004 4.686 0 40 KJAB CC(C)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1 12481872 PLFZMXQVHMLAKX-VAVYLYDRSA-N 529.616 4.764 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(C)=O)cc1 13024260 YCLBJCKJPQPZFR-HHHXNRCGSA-N 515.589 4.852 0 40 KJAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 13839343 BCCADAULOGLEBC-SANMLTNESA-N 515.545 4.941 0 40 KJAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c1 14412803 LIORDCZTARTQAU-UHFFFAOYSA-N 517.003 4.586 0 40 KJAB COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4cc(C)ccc4C)CC3)c(=O)[nH]c2c1 20080300 BUELJWJSPBSJEL-NDEPHWFRSA-N 527.673 4.557 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC(Cc3ccccc3)CC2)c(C)c1 22246481 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CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 225737215 IDBKKPIZJAENPU-BXKMTCNYSA-N 570.539 4.684 0 40 KJAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1 225999952 XSWGNIGIMWTDBD-UHFFFAOYSA-N 537.085 4.658 0 40 KJAB CCCn1c(SCC(=O)N2N=C3/C(=C\c4ccc(OC)cc4)CCC[C@@H]3[C@@H]2c2ccc(OC)cc2)n[nH]c1=O 229861783 TZCDPJMXJYOUEA-QQUYXWBCSA-N 547.681 4.914 0 40 KJAB Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)ncc1C(=O)N(CC(=O)O)Cc1ccc(Br)cc1F 257282921 OVWUSEHESZNVOX-UHFFFAOYSA-N 565.440 4.528 0 40 KJAB CC(C)Oc1cccc(N[C@H]2CC[C@@H](C(=O)N(CC(=O)O)Cc3cccc(C(F)(F)F)c3)CC[C@@H]2O)c1 257300871 RWAAEBBUNGGANN-YGOYIFOWSA-N 522.564 4.938 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 260754962 CCPZFKLYUASSTA-HSZRJFAPSA-N 581.710 4.548 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c2cc(C)cc(C)c2)cc1OC 260766332 GPAGBWPJJUJQRQ-RUZDIDTESA-N 607.773 4.992 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 260802696 PRMWKDNAXFVVEA-RUZDIDTESA-N 577.747 4.983 0 40 KJAB Cc1ccc(Cl)cc1N(CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 260804372 RKBDOOSATHCEKB-HXUWFJFHSA-N 552.112 4.810 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1Cl 260929517 WIBZGKFILXOXOT-QGZVFWFLSA-N 562.947 4.911 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 260976480 AQEZKIRZTPWVBZ-DWACAAAGSA-N 603.160 4.647 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 261014365 HFZQNQDJHCZLLG-FIPFOOKPSA-N 570.155 4.824 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 261031555 XHTUACOBPHLJOU-CUBQBAPOSA-N 535.710 4.912 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 261050244 ZYMLZUFDAIOATQ-OAQYLSRUSA-N 602.153 4.885 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 261066185 OSSXHBHUPDKHAD-FIPFOOKPSA-N 600.181 4.978 0 40 KJAB Cc1cc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)ccc1Br 261081757 RKJLUJDGSCKYGL-QGZVFWFLSA-N 572.953 4.509 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 261084519 RXMQGTQVLYTWDD-VXKWHMMOSA-N 600.137 4.639 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 408544033 GQUWCMKXLPBKBP-UHFFFAOYSA-N 548.086 4.958 0 40 KJAB O=C(Nc1ccccc1C(F)(F)F)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 408590415 GSUBCFONCRPVGZ-HXUWFJFHSA-N 527.362 4.996 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2 408816176 JBPCEEHDBPOYBC-NVMNQCDNSA-N 539.347 4.664 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(C(=O)OCC)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 408825288 JLDOICCCPXLHHJ-DDBFQISPSA-N 596.705 4.862 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408849901 ALXQNNADLARSNY-ASZNLBCTSA-N 586.666 4.632 0 40 KJAB CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(SC)cc1)C(C(=O)OC(C)C)=C(C)N=2 408920290 ICLXIHGNQKHGJX-YMSBRDKKSA-N 543.110 4.961 0 40 KJAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 408921020 QZYUJYQWFXFMJW-UHFFFAOYSA-N 542.466 4.507 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(I)c3)c(=O)n2[C@H]1c1ccccc1 408983790 HSNCSRZCGPKBPM-MSMNXAATSA-N 592.458 4.540 0 40 KJAB CCc1ccccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCc3ccc(Cl)cc3)CC2=O)cc1 409135982 VLXCOUPZVWWRIF-OAQYLSRUSA-N 506.002 4.589 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cn(CC(=O)N4CCCC4)c4ccccc34)c(=O)n2[C@H]1c1ccc(F)cc1 409164475 JCNZNJKCKNEGPW-MTCCXWIASA-N 634.733 4.652 0 40 KJAB CS(=O)(=O)CC[C@@H](C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409178892 JMZAYUWTSHSIAM-QFIPXVFZSA-N 546.428 4.726 0 40 KJAB Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)cc2)cc1 409237075 VUJZSAXCCHSIDO-YDZHTSKRSA-N 519.554 4.827 0 40 KJAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CCO2)C1=O 643555738 BCCUSONWNZJWKG-NDEPHWFRSA-N 510.034 4.686 0 40 KJAB CC(=O)N1CCCCCCCN(C(=O)c2ccc3c(c2)C[C@H](C)O3)Cc2ccc(CN3CCOCC3)cc21 643589154 OTJFXWBGDHYSDM-QHCPKHFHSA-N 519.686 4.802 0 40 KJAB COc1ccc(-n2nc3ccc(NC(=O)c4cc(Cl)ccc4I)cc3n2)cc1 828087 QIDORKZLTFJMTD-UHFFFAOYSA-N 504.715 4.939 0 40 KJAB Cc1ccc(S(=O)(=O)NC[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1 846727 IKIRVRTVIXKISQ-KRWDZBQOSA-N 552.288 4.967 0 40 KJAB COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)c(OC)c1 1372621 OAORYUHUHKLMGT-WJOKGBTCSA-N 549.631 4.848 0 40 KJAB COc1ccc(NC(=O)[C@@H](c2ccc3c(c2)OCO3)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 1419092 FWWAIEARRHIAIR-SSEXGKCCSA-N 549.587 4.577 0 40 KJAB COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCc4ccccc4)CC(=O)N32)cc(OC)c1OC 2116901 FHECOYCBMKVEIZ-SETSBSEESA-N 539.632 4.511 0 40 KJAB biogenic COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(NC(=O)c2ccc3c(c2)OCO3)cc1OC 2214213 ACVMTJIMEBXTOP-UHFFFAOYSA-N 502.523 4.841 0 40 KJAB O=C(Nc1ccccc1C(=O)Nc1cccc(Cl)c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 2653172 XZXRIVKXQCYULD-UHFFFAOYSA-N 534.421 4.519 0 40 KJAB Cc1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3cccc(S(=O)(=O)Nc4cccc(C)c4)c3)c2)c1 3013950 XCXAGZAAEFBUHN-UHFFFAOYSA-N 556.687 4.738 0 40 KJAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)Nc1ccc(Cl)cc1Cl 3247417 FBJKJJGEVUAPDJ-UHFFFAOYSA-N 519.406 4.930 0 40 KJAB CC(C)[C@@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 4173932 MPPAVLSFLPAHFL-GYFFGYLLSA-N 528.004 4.983 0 40 KJAB COc1ccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc(F)cc2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1 6973735 SWOSVWPUPRRNBB-GTJXLMPHSA-N 585.723 4.806 0 40 KJAB COc1ccc(NC(=O)C2(N(Cc3ccc(F)cc3)C(=O)Cn3nnc4ccccc43)CCCCC2)cc1 8713150 GPGJXMUBFAIJQQ-UHFFFAOYSA-N 515.589 4.949 0 40 KJAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3nc(-c4ccc(C)cc4)cs3)n2C)cc1 9601196 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O=C(Nc1ccccc1C(F)(F)F)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 30859588 XFVLTKWSXYYCNG-UHFFFAOYSA-N 505.356 4.648 0 40 KJAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4cc(Cl)ccc4o3)cc2)c2ccccc2O1 46086618 DVLDMVFWINRIPK-OAHLLOKOSA-N 510.955 4.675 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccc(Br)cc1 59834258 PBTPVAGPNMRWFX-GCJKJVERSA-N 531.472 4.533 0 40 KJAB COc1cc(/C=C/C(=O)N[C@H](Cc2ccccc2)C(=O)O)ccc1OCc1ccc(Br)cc1 62715762 QTUYYCXPYCNYCF-KFERDVSVSA-N 510.384 4.862 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(=O)(=O)Cc4ccccc4)c4ccccc4O3)cc2)c1 100096341 BXFVBTIUHRJMAK-LJAQVGFWSA-N 591.711 4.840 0 40 KJAB C[C@H]([C@@H](O)c1ccccc1)N(C)CC(=O)Nc1c(Br)cc(Br)cc1Br 100242564 FSBHNRSTLSVTHH-ADLMAVQZSA-N 535.074 4.967 0 40 KJAB COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cc2cccs2)c2ccc(-n3cnnn3)c(C)c2)c1OC 100333629 RMTHDZJUJJZETN-NDEPHWFRSA-N 574.707 4.815 0 40 KJAB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1)c1ccc2c(c1)OCO2 100388983 LXJXHFOJDAKJJC-UHFFFAOYSA-N 557.459 4.811 0 40 KJAB CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 101274755 ODIIDJFISNHRAN-YCWZKWCFSA-N 528.008 4.753 0 40 KJAB COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c(Cl)cc2Cl)cc1Cl 102971896 SCCRIQJIOZXVPN-VXGBXAGGSA-N 537.849 4.714 0 40 KJAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(F)cc1 103000990 CIDCZFNTFOGWPW-UHFFFAOYSA-N 602.113 4.787 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(Oc4nc(Cl)ncc4F)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 103568511 ZBOFKQOOQVEMLD-PNZYDNNZSA-N 625.078 4.580 0 40 KJAB Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 108886107 WUDHHRWPWHHDAS-UHFFFAOYSA-N 562.113 4.657 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCCCC2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 113633576 DZDMZGVOJNNHBG-UHFFFAOYSA-N 532.028 4.855 0 40 KJAB COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C2=C(N=3)c3ccccc3CC2)cc1I 167529065 HJXHGNOSUAGGAJ-ZJTZAHLKSA-N 636.511 4.949 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 222500552 XQMRXEWPSWRWSS-LJQANCHMSA-N 548.492 4.660 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 222508195 LDGMXIHOPCNQNC-RNWIMVQKSA-N 581.735 4.621 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 222565007 USZSYBIYQFXWKB-IBGZPJMESA-N 548.492 4.660 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 222614130 DTGMKYSMNGWNKX-HSZRJFAPSA-N 627.388 4.908 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1OC 222693391 UMIBPPMOMMHNPP-QFIPXVFZSA-N 599.725 4.679 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223173020 GMPHCFBIACDQSA-RUZDIDTESA-N 515.720 4.572 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 223207252 UPEBXTLWDQMZLU-HXUWFJFHSA-N 522.111 4.563 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 223296949 APTDUSMPLGXDAQ-VWLOTQADSA-N 580.509 4.675 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223433259 PYDJRVBCIMWPQG-SSEXGKCCSA-N 649.716 4.708 0 40 KJAB COc1ccc(OCCNC(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1 223762550 JGWWACMPOYBPQO-UHFFFAOYSA-N 516.619 4.900 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 223989000 KSTOELPYEGEJSG-INIZCTEOSA-N 605.382 4.998 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O 224170722 DXNGCCOPSIJFAT-HHHXNRCGSA-N 586.154 4.671 0 40 KJAB CCCSc1nnc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3cc(C(C)(C)C)ccc3O2)s1 224171992 CWQJIVYYHXFCMS-HXUWFJFHSA-N 532.713 4.933 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 224322030 KDRINWNNLPRZBX-RUZDIDTESA-N 560.091 4.926 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224518317 MMIMBNBHTWVIOY-VWLOTQADSA-N 620.555 4.654 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 224598205 HIXGVSSUPBNMOG-GDLZYMKVSA-N 565.736 4.779 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 224609652 BYWSVAKFFCSESX-QHCPKHFHSA-N 542.529 4.647 0 40 KJAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3nnc(SCc4ccccc4)s3)cc2)cc1 224674373 LSOYWSHQMDSHMU-UHFFFAOYSA-N 526.665 4.916 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 224680957 AJGHGTUKZAAWRS-NRFANRHFSA-N 602.551 4.595 0 40 KJAB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224886251 FSKAQYIXXWXZPZ-FULLSBAXSA-N 562.110 4.680 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(N4CCCC4)cc3)Oc3ccc(Cl)cc32)cc1 224926249 FXULTKMBSUFHKO-VWLOTQADSA-N 528.030 4.544 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 225167464 IBRCXNRYOJGLNW-NDEPHWFRSA-N 551.709 4.533 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 225200069 BWGGWQUOZAOFBT-QHCPKHFHSA-N 568.111 4.510 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 225211066 OURDWXUNWCHBDF-SFHVURJKSA-N 614.990 4.743 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 225243700 MRKKTYQOIMYIBF-GOSISDBHSA-N 572.953 4.511 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC)S(=O)(=O)c1ccc(C)cc1 225385532 NUYJLSSRTMHMOC-NRFANRHFSA-N 542.101 4.569 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 225389418 RWPIARKBEGNANZ-DNQXCXABSA-N 581.735 4.540 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 225602708 OUPUTCMYAUPEMM-GOSISDBHSA-N 550.508 4.855 0 40 KJAB COC(=O)c1c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)sc2c1CCCC2 225743344 SWIKVUMOSXBLAX-UHFFFAOYSA-N 514.650 4.639 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)C)c1 260771691 WZWPYQPSBLUTFZ-XMMPIXPASA-N 565.736 4.956 0 40 KJAB COc1cccc(CN(C(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1 260785272 LVNNNWRFVMMJMZ-HXUWFJFHSA-N 552.137 4.535 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c2ccccc2)cc1 260787091 LZFWVHHJQQLREB-XMMPIXPASA-N 565.736 4.655 0 40 KJAB CC(C)c1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260820203 WBUGGYXGIYBJIC-OAQYLSRUSA-N 531.694 4.581 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)c2ccc(C)c(C)c2)cc1 260881600 ODNBVNVDGPQSRN-XMMPIXPASA-N 553.700 4.888 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 260967076 LUJDNEIXPPRTHQ-IGKIAQTJSA-N 565.736 4.921 0 40 KJAB 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COc1cc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(OC)cc1Cl 408611126 RTURZSPMLDLZIA-UHFFFAOYSA-N 539.835 4.954 0 40 KJAB O=C(Oc1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408642691 PLPWYMONVUQREB-ZMYBRWDISA-N 501.366 4.632 0 40 KJAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c(C)c2)CC1=O 408654015 GAJVJRYXFYOQMD-JPFMNBDBSA-N 514.622 4.614 0 40 KJAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3O)c2=O)=N[C@H]1c1ccc(OCc2ccccc2)c(OCC)c1 408731153 JEFAEWWMXDJMGO-HDFSHUSISA-N 570.667 4.591 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1cccs1 408767754 GVECEQIBSBTRCC-ZGOFBEGVSA-N 578.687 4.977 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3Cl)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408770239 VDQHXZWTHPAGEA-BOSJJLPOSA-N 612.329 4.885 0 40 KJAB COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C(C)C)c(OC)cc3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C 409018241 TXNVLRXTEIXBPJ-NULZLWRNSA-N 578.731 4.652 0 40 KJAB 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225644466 WQSOPBBOEFZNQD-LJAQVGFWSA-N 576.118 4.921 0 40 KJAB S=C(NCc1ccccc1)Nc1nc(N2CCN(c3ccccc3)CC2)cc(N2CCc3ccccc3C2)n1 225928560 PTGUVVGQTGPKFH-UHFFFAOYSA-N 535.721 4.853 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 260813175 UZFRAIPZYAVQQF-GOSISDBHSA-N 540.513 4.544 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(Cl)cc3)Oc3ccc(C(C)(C)C)cc32)cc1 260844088 FEFYXCSTYFNSNM-AREMUKBSSA-N 559.084 4.798 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 261004424 SGSMNTSQUNBXKM-GOTSBHOMSA-N 539.673 4.661 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 261067212 PASWSGAQWQSLHF-VIZCGCQYSA-N 563.764 4.933 0 40 KJAB CCOc1ccc(N(CC(=O)N2CCN(c3cccc(C)c3C)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 408618773 FSHXFRFRBIQNSZ-UHFFFAOYSA-N 551.709 4.563 0 40 KJAB COc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 408628096 TXRUKLUCMGUCMY-UHFFFAOYSA-N 523.655 4.674 0 40 KJAB COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3CC(C)=CC[C@H]3C2=O)c1 408642695 NTVLYDJPIUENFV-QUCCMNQESA-N 501.366 4.583 0 40 KJAB CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3c(CC)cccc3CC)CC2=O)cc1 408657977 KJECKQUANGXKCN-QHCPKHFHSA-N 508.615 4.693 0 40 KJAB Cc1cc(Br)ccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(C(=O)OC(C)C)cc1 408668586 VBVZONOBVDEVJW-UHFFFAOYSA-N 519.392 4.613 0 40 KJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)cc1 408682747 GTLRXQLHUNHHPS-OLPMXTGOSA-N 545.817 4.908 0 40 KJAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1 408691373 ZNMNMMSNRHFMPY-YJTVIJPYSA-N 564.638 4.678 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(F)cc3)c(=O)n2[C@H]1c1cccs1 408770290 VSAFGXANNXOMNQ-GJFKPFFXSA-N 534.634 4.578 0 40 KJAB CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(OCc4cccc(C)c4)c(OC)c3)c(=O)n21 409011226 FIWDRGUMJZRVDE-FATJQOLTSA-N 658.773 4.728 0 40 KJAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3F)cc2Br)C1=O 409099027 POLLMGSQIKHKBL-BFNDQCEFSA-N 524.364 4.774 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)c(Br)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409106111 QJAIWUKPNVOGKR-YJADQXIJSA-N 558.929 4.828 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3ccc(Br)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409109052 XDAVWKLYPUFUOZ-XQNWCSQWSA-N 635.584 4.674 0 40 KJAB COC(=O)c1c(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)sc2c1CCCC2 409109251 ALTKEIWAJBHBTE-UHFFFAOYSA-N 542.679 4.873 0 40 KJAB O=C(Cn1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c2cc(Br)ccc21)NC[C@H]1CCCO1 409136575 RUHRECBRRIYWFY-YCIJSJTNSA-N 602.482 4.953 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)c2ccc(F)cc2)cc1OC 409177471 BCKYLAZZQXAXQR-UHFFFAOYSA-N 613.689 4.786 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc(I)c1O 409224736 MESUYLNXDXJFGQ-FRKPEAEDSA-N 576.771 4.863 0 40 KJAB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Sc5nccc(C)n5)o4)c(=O)n32)c1 409271402 CJJWMAAUFJLZQE-OXIKZWMZSA-N 595.706 4.725 0 40 KJAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccc3c(c2)OCO3)cc1 409301436 FRAFHJLMSHRYBW-UHFFFAOYSA-N 530.602 4.749 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1OCC(=O)N1CCCC1 409363979 VETYYTVLCWAVBI-HMAPJEAMSA-N 588.480 4.524 0 40 KJAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 902066 UEFVANGJSJKPLE-UHFFFAOYSA-N 526.562 4.661 0 40 KJAB Nc1c(C(=O)NC2CCCCC2)nsc1C(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1Cl 906650 IDEXWGIPTJPWHA-UHFFFAOYSA-N 532.110 4.533 0 40 KJAB COc1ccc(NC(=O)CSc2nc(-c3ccncc3)nn2CC(=O)Nc2ccc(C)c(Cl)c2)cc1 1225075 OZHJKTDDTKFOKV-UHFFFAOYSA-N 523.018 4.680 0 40 KJAB CC(C)c1nc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)c2c3c(sc2n1)C[C@H](C)CC3 1372087 ZLOMWVSDAOTGSI-HXUWFJFHSA-N 567.781 4.686 0 40 KJAB CCOc1ccccc1[C@@H](C(=O)NCc1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 1372636 XNAZQQKYRULODA-PMERELPUSA-N 519.605 4.921 0 40 KJAB CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)c(OC)c1)N(c1ccc(C(=O)OC)cc1)C(=O)C2 2096773 PYOFNGXHJPGGIN-NDEPHWFRSA-N 505.567 4.967 0 40 KJAB biogenic CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC(c3ccccc3)c3ccccc3)n2C)c1 2642479 ZWNSLTGSIXQVRA-UHFFFAOYSA-N 549.722 4.511 0 40 KJAB COc1cc(C(=O)NCC(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc(OC)c1OC 2664392 WXPODTSPSOLBSN-HXUWFJFHSA-N 522.001 4.525 0 40 KJAB COc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccc(F)cc1 3253868 HKAMJXZIMSDBDN-UHFFFAOYSA-N 521.328 4.954 0 40 KJAB COc1ccc(-n2c(N)c(S(=O)(=O)c3ccc(Br)cc3)c3nc4ccccc4nc32)cc1 3328155 WCGIPJDRGHBFTP-UHFFFAOYSA-N 509.385 4.760 0 40 KJAB COc1ccc(-c2nnc(SCC(=O)[C@H](C#N)C(=O)NCc3ccccc3)n2-c2ccc(Cl)cc2)cc1 3376529 YXQZBYOGRYBEGA-QHCPKHFHSA-N 532.025 4.714 0 40 KJAB CCOC(=O)CN(C(=O)CSc1nnc(-c2ccccc2C)n1-c1ccccc1OC)c1ccccc1 6089321 QLCOSWSGRYXZOP-UHFFFAOYSA-N 516.623 4.940 0 40 KJAB COc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3[C@]23N=C(c2ccccc2)OC3=O)cc1 8687169 PMGLUWPDZIVUOU-BCVXLEMTSA-N 507.590 4.909 0 40 KJAB aggregator COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3OC)N(Cc3ccccc3Cl)C2=S)cc1 9171325 FOCUDLFYXWKHAJ-QFIPXVFZSA-N 510.015 4.888 0 40 KJAB CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(CCc1ccccc1C)Cc1cc2cc(C)cc(C)c2[nH]c1=O 13495911 JBJPNBXFHHKUIH-SVBPBHIXSA-N 514.674 4.815 0 40 KJAB O=C(Nc1ccccc1Br)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 13678400 TXNOODGHMWZGCP-UHFFFAOYSA-N 506.249 4.936 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1C 14153532 QCXRGNVBWIWVTP-NRFANRHFSA-N 529.684 4.514 0 40 KJAB CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2cc(C)cc(C)c2s1 17287598 MSWDFRIWVJZPPP-UHFFFAOYSA-N 514.717 4.686 0 40 KJAB CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 22348418 XOQWTIJTOUSZHK-NRFANRHFSA-N 526.655 4.792 0 40 KJAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 28208579 JAHNSTADZBVUPY-UHFFFAOYSA-N 531.722 4.728 0 40 KJAB CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 57641782 FKSOKZAAMMWVOU-JYFHCDHNSA-N 504.610 4.603 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3cccc(OC)c3)c2=O)=N1 58872258 CRMYNRGKKRWZDU-ASSGYOTOSA-N 504.652 4.711 0 40 KJAB COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3)ccc2s1 59836913 RQFIGCFWXYECHC-UHFFFAOYSA-N 526.592 4.515 0 40 KJAB O=C(NCCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12 70704700 CEPNHHKTBHAQGH-PHDGFQFKSA-N 568.677 4.724 0 40 KJAB biogenic COc1ccc(C(=O)OC[C@H]2O[C@@H](n3cnc4c(=S)[nH]cnc43)[C@@H](OC(=O)c3ccc(OC)cc3)[C@H]2OC(=O)c2ccc(OC)cc2)cc1 82170337 KIAHXIQVYYIAET-OZXOMEGWSA-N 686.699 4.720 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC 97959494 RGDPLCSTVRYOJS-LAUBZIAYSA-N 602.684 4.924 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OCC)cc3)N(Cc3ccccc3F)C2=S)cc1 98005965 NHWMEFFENYBCIR-RUZDIDTESA-N 549.624 4.932 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)CCCc4ccccc4)CC3)cc2)cc1C 100095624 YGHMGPXLHZZQPH-UHFFFAOYSA-N 569.749 4.717 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1OC 100355876 ABBWGEQFVNHOFC-MUUNZHRXSA-N 575.666 4.545 0 40 KJAB COc1ccc(N2C(=O)/C(=C\N[C@H]3CC4(CCN(C)CC4)Oc4ccccc43)c3ccccc3C2=O)cc1OC 101007808 IDWFYIDJZVXGFD-PGLPJHNESA-N 539.632 4.810 0 40 KJAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4OS(=O)(=O)c4ccccc4)[C@H]3C2=O)c1 101108984 AYBMZNQKYRKQDE-PKTNWEFCSA-N 540.597 4.814 0 40 KJAB COc1ccc(-c2nn([C@H]3CCS(=O)(=O)C3)c3c2[C@H](c2ccccc2)N(CCc2ccc(OC)c(OC)c2)C3=O)cc1 101421311 ZEJSEHRRHMPIBB-NGQVCNFZSA-N 587.698 4.723 0 40 KJAB Cc1cc(Br)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(C)c(C)cc3Br)[C@H](C)C2)cc1C 101454764 UKKCKOXRXMNRRR-QGZVFWFLSA-N 594.391 4.529 0 40 KJAB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(Br)o4)c(=O)n31)c1ccccc1CC2 104655586 DNLZVKDUBUSSRX-OBVMJLIASA-N 519.420 4.683 0 40 KJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(Br)c4)CC3)cc2)c1 215954434 ODXYKBPIVPKAQI-UHFFFAOYSA-N 606.564 4.739 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 222638514 BSDGBPJIEXYVTL-QHCPKHFHSA-N 525.646 4.600 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 222709955 XNYAXBQLRKGZAA-LLVKDONJSA-N 575.729 4.883 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 222758322 VTSFTOLHPTVBQJ-DEOSSOPVSA-N 582.937 4.799 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 222772463 XHEDUBXUMLJTNG-VWLOTQADSA-N 620.555 4.654 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 222894296 GDCKHHWHQSOKPI-XMMPIXPASA-N 552.137 4.535 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@@H](CC)C(=O)NC)S(=O)(=O)c1ccc(SC)cc1 222994050 GMPPQRDRCRGKHK-SANMLTNESA-N 583.776 4.864 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 222995473 CNTGHMVWFXLJHJ-QFIPXVFZSA-N 586.552 4.815 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223150742 AKZZFXIBFGPZSQ-QFIPXVFZSA-N 602.153 4.886 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 223157432 RPZWRJRMZIWVNC-GDLZYMKVSA-N 593.652 4.531 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 223182637 RDDFAPLYRNBBLZ-HXUWFJFHSA-N 522.111 4.563 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223230510 MRWYNVVAXSGGTK-NDEPHWFRSA-N 565.736 4.921 0 40 KJAB Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)Nc1nnc(SCc3ccccc3)s1)O2 223249512 QTHPJNBZTMPIBH-QFIPXVFZSA-N 538.676 4.734 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223254264 HJSWHASFGDIFPC-NDEPHWFRSA-N 600.181 4.979 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223260842 BELPDUXVMRTORG-QHCPKHFHSA-N 629.751 4.771 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccc(C)cc2)[C@@H](CC)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 223308998 YYXNBBOXBXJLIS-SANMLTNESA-N 545.746 4.662 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 223400307 JDIDWAZAWKUEQC-MUUNZHRXSA-N 570.155 4.971 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 223558821 LTJMMVWVTJWGPT-JOCHJYFZSA-N 542.101 4.706 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 224229112 RXVSCDDIEKOJOR-MUUNZHRXSA-N 535.710 4.751 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccc(C)cc2)[C@@H](CC)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 224278906 ZYEXBMJZRYNMGL-NDEPHWFRSA-N 541.758 4.970 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 224299006 GNOFSFKBFFAQRS-QFIPXVFZSA-N 587.689 4.748 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 224369767 WFGGDSRCSDMQTP-NDEPHWFRSA-N 551.684 4.887 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1C 224401008 OXQJNQLPHXYMRK-NDEPHWFRSA-N 567.727 4.763 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 224539210 ICJNUDOTMFJKSZ-NDEPHWFRSA-N 569.699 4.609 0 40 KJAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224616815 QXZMZWRVOLPKKO-SANMLTNESA-N 602.153 4.539 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 224622288 KUJUHOIOHWWSIS-LJAQVGFWSA-N 607.773 4.808 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 224658836 UBTBHRAYVKLNSA-GOSISDBHSA-N 540.513 4.626 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)c1 224771692 QWDGYQFCXSNCJG-PMERELPUSA-N 561.748 4.768 0 40 KJAB 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518.061 4.917 0 40 KJAB Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1 9292946 XSBBWRQJLYFEAY-UHFFFAOYSA-N 513.985 4.933 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(c3ccc(F)cc3)C2=S)cc1 9892260 LDEQAJNLSIFDNA-JOCHJYFZSA-N 509.534 4.677 0 40 KJAB Cc1ccc(-n2c(/C=C3\C(=O)Nc4ccccc43)nc3ccc(I)cc3c2=O)cc1 12436614 GDFCOPJQXFPAFT-AQTBWJFISA-N 505.315 4.791 0 40 KJAB CSCC[C@H](NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O 12878117 VBFWCPMYEUWENW-QDVRJXFESA-N 521.720 4.613 0 40 KJAB biogenic COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)n2)c1 13134914 TXEKKSSAMJWARU-UHFFFAOYSA-N 509.609 4.905 0 40 KJAB COc1ccc(C)cc1N(CC(=O)NCCSCc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 20060701 VAKOLCFAHRDXTG-UHFFFAOYSA-N 512.697 4.865 0 40 KJAB CCCNC(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3cccc(C(F)(F)F)c3)c2=O)CC1 21365388 ANSQHCFNWYFGOT-UHFFFAOYSA-N 507.578 4.624 0 40 KJAB O=S(=O)(c1ccccc1Br)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 34194444 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CCOc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)Cc2cc3cc(OCC)ccc3[nH]c2=O)cc1 1366970 OTOBCWSJYOUUMZ-UHFFFAOYSA-N 500.551 4.897 0 40 KJAB O=C(COc1ccc2oc3ccccc3c2c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 3396431 IQPKSXAZYRYZNZ-UHFFFAOYSA-N 500.576 4.651 0 40 KJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cc1 3435410 VNISXEZBWXWANO-UHFFFAOYSA-N 513.063 4.559 0 40 KJAB CN(C)c1ccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@H](OC(=O)Nc5cccc6ccccc56)CO[C@H]34)n2)cc1 5398993 IRFHZCBREGMNCL-FICKONGGSA-N 511.582 4.558 0 40 KJAB biogenic,in-vitro CCN(CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)Nc1cccc(Cl)c1 6193000 LRJFGBCKRARKRQ-UHFFFAOYSA-N 515.079 4.884 0 40 KJAB CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccccc2OC)C(=O)Cn2nnc3ccccc32)cc1 12713840 FDLUQXJSIJZTMJ-MUUNZHRXSA-N 529.641 4.523 0 40 KJAB CC[C@@H](c1nnnn1C(C)(C)CC)N(CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 13495867 AHJNWLLHKHDVHD-QHCPKHFHSA-N 502.619 4.584 0 40 KJAB CC(C)CNC(=O)c1ccccc1NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 14155811 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CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1OC 100364842 UGSFUQDGWUTPSS-NDEPHWFRSA-N 547.681 4.729 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(Cc1ccc(F)cc1)C(=O)CCC(=O)Nc1cc(C)on1 100416076 OKIVFHXTZBNTIS-HHHXNRCGSA-N 568.646 4.933 0 40 KJAB CCOC(=O)[C@@]1(C)C=C(Nc2ccc(I)cc2)C(=O)N1c1ccc(I)cc1 100930548 SXNUGVAXMFEXGN-HXUWFJFHSA-N 588.183 4.560 0 40 KJAB COc1ccc(-c2nn([C@@H]3CCS(=O)(=O)C3)c3c2[C@H](c2ccccc2)N(CCc2ccc(OC)c(OC)c2)C3=O)cc1 101421308 ZEJSEHRRHMPIBB-HLADLETHSA-N 587.698 4.723 0 40 KJAB CSc1cccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(Cl)cc5)sc4n3)CC2)c1 102649796 RPSVBRAAKLRDJL-UHFFFAOYSA-N 527.075 4.543 0 40 KJAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)N(c1ccccc1)S(C)(=O)=O 107859531 YBVIFZZPQPXODD-HNNXBMFYSA-N 576.018 4.953 0 40 KJAB COC(=O)COc1c(I)cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1OC 150453792 UBUZKLJDULVOLQ-MFOYZWKCSA-N 618.243 4.851 0 40 KJAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(OC(F)(F)F)cc1 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C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 222978396 XEBWNQBNGSNGAX-SFHVURJKSA-N 542.529 4.726 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 223039557 YRWVUSRPDQSTAT-QFIPXVFZSA-N 569.699 4.670 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223051678 CZTYCPVUDPSLKQ-XMMPIXPASA-N 581.735 4.541 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc(I)cc1 223171696 ITLLQBFZNWHOJH-RUZDIDTESA-N 556.444 4.755 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 223190219 VJROYSTXDXVHDV-NHCUHLMSSA-N 566.562 4.636 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 223297233 ORAQMTUAVPMDOM-MHZLTWQESA-N 593.746 4.684 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 223647556 XFOHEBTYAFSLNI-VWLOTQADSA-N 535.710 4.669 0 40 KJAB 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CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 260933532 IAHKCTJJBKOGHD-IADCTJSHSA-N 581.735 4.621 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccc(OC)cc2)[C@@H](CC)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 261001313 RSSUWRVZWNZJQR-AMGIVPHBSA-N 545.746 4.526 0 40 KJAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1 408617260 AEQUHEKYASPDQZ-UHFFFAOYSA-N 611.898 4.736 0 40 KJAB COc1ccccc1NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408669935 XQOBQYIECSLJOH-DOLBPCJWSA-N 521.400 4.615 0 40 KJAB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)Nc2cc(C)c(Br)c(C)c2)CC1=O 408671015 RRDRGVCQRXBZAL-LJQANCHMSA-N 501.421 4.726 0 40 KJAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@@H]4C3=O)cc2)cc1 408683201 MIKGYWGFFGKIQJ-FBVYBBNNSA-N 585.616 4.837 0 40 KJAB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 408685388 QNOBNXUORLQOIN-LJQANCHMSA-N 576.216 4.889 0 40 KJAB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@@H](C)c2ccccc2)C3=O)cc1 408691007 XRRQGIFFXVAMKW-IBGZPJMESA-N 528.561 4.652 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)O)o3)c(=O)n2[C@@H]1c1ccccc1 408754222 FLPOIIXRHWSNTR-AHQATDLNSA-N 576.630 4.894 0 40 KJAB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(Br)cc1OCc1cccc(C(=O)O)c1 408901707 APRLGBRXQHPHSO-FMCGGJTJSA-N 551.418 4.895 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(Cl)c(O)c(Cl)c3)c2=O)=N1 408971160 NDCRXIGFHMRQNX-CVGPFBNFSA-N 536.440 4.886 0 40 KJAB CC(C)c1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 408989475 KURDENOZYHYCKU-HSZRJFAPSA-N 548.446 4.943 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cc(Br)c(O)c(I)c2)C1=O)Nc1cccc(F)c1 409236046 FDXACHUESMYEFC-MKMNVTDBSA-N 577.169 4.573 0 40 KJAB COc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)cc(Br)c1OCC(=O)Nc1ccccc1Cl 409267939 XAMUUNBFKZMGGU-ZIAGYGMSSA-N 527.868 4.913 0 40 KJAB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(C)c2)C(=O)Nc2cccc(Br)c2)c1 409381751 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COc1ccccc1/C=C(/NC(=O)c1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 6088866 HETQMQVRVCGPKM-HAVVHWLPSA-N 548.646 4.671 0 40 KJAB CC(C)CCNC(=O)[C@H](CC(C)C)N(C(=O)c1snc(C(=O)NC2CCCCC2)c1N)C1CCCC1 6134374 HFYYOHQIAPNJCY-NRFANRHFSA-N 519.756 4.750 0 40 KJAB CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)N(Cc1ccco1)Cc1cccs1 6149503 WDWQDDUBPGEGCB-VWLOTQADSA-N 546.653 4.877 0 40 KJAB CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 6169584 AYLNRNDXURGEQF-UHFFFAOYSA-N 502.539 4.859 0 40 KJAB COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)CN2N=N[C@@H]4C(=O)N(c5cccc(F)c5)C(=O)[C@@H]42)[C@H]3c2ccc(OC)cc2)cc1 8454989 RGNHPDLKVCRLRF-QFOVDCTCSA-N 622.657 4.959 0 40 KJAB CC(=O)c1cccc(N(C(=O)C[S@@](=O)CC(=O)Nc2ccc(F)cc2)[C@H](C(=O)NC2CCCCC2)c2ccc(C)o2)c1 8686527 QBVGIFXCNZBNKM-DMXQUZEMSA-N 595.693 4.840 0 40 KJAB Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccccc1F 9382848 ZOZBYCPREDCMMZ-UHFFFAOYSA-N 505.600 4.870 0 40 KJAB CC(C)CCNC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 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COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CC(C)C)C(=O)O)C(=O)N32)cc1 70707151 FFLHZMDDPFCXPO-MDZVADFISA-N 580.641 4.889 0 40 KJAB biogenic CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2Cc2ccc(N3CCCC3=O)cc2)cc1 98005767 RYOUFEFOENLQLU-HHHXNRCGSA-N 556.688 4.739 0 40 KJAB Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)Nc1ccc(Cl)c(C(=O)O)c1 100008214 OGYAJFXQDHPBRA-UHFFFAOYSA-N 536.629 4.764 0 40 KJAB NC(=O)c1nsc(C(=O)N(c2ccc(C3CCCCC3)cc2)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1N 100275810 JAUFSRZOUFYZCC-RDPSFJRHSA-N 567.737 4.617 0 40 KJAB COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(OC)c(OC)c2)cc1OC 100292846 IKBPVAQGPUAMEI-MGBGTMOVSA-N 615.731 4.727 0 40 KJAB COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1 100385895 RZFVTZBFIUDHEJ-UHFFFAOYSA-N 598.361 4.652 0 40 KJAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nnc(SCc2ccc(C(=O)O)cc2)s1 101623902 IEKJPWSPMMLCQF-QGZVFWFLSA-N 537.088 4.672 0 40 KJAB CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC 102758730 IFYYYSKSSMBLCP-KWXIBIRDSA-N 502.567 4.934 0 40 KJAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 103093597 MHIHPERERAUGTM-MUUNZHRXSA-N 609.679 4.954 0 40 KJAB COc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N32)cc1Br 104033519 BCWAGZLJZMIMNZ-HHPVDLARSA-N 587.426 4.502 0 40 KJAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3I)c2C(N)=O)C1 105315734 SQOSXJWPVKUYEK-LLVKDONJSA-N 541.480 4.729 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 109060649 PRMGTPJWOYNHOU-CMISJSSVSA-N 534.678 4.719 0 40 KJAB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)Nc1ccc(Br)c(Cl)c1 138817304 IBTCQFDKTMPNGY-JTQLQIEISA-N 520.594 4.944 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 222582677 RBDHESAWDZDIIY-HXUWFJFHSA-N 548.920 4.745 0 40 KJAB 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224148424 IXVRJZVNOVOSIO-RUZDIDTESA-N 534.122 4.752 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224244306 QAPKDOGIIXXDSF-RUZDIDTESA-N 632.179 4.813 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 224552610 WVNBQQIVEIFMST-HHHXNRCGSA-N 557.757 4.625 0 40 KJAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 224617092 KUMIUROPFMCYMB-AREMUKBSSA-N 556.128 4.830 0 40 KJAB Cc1cc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)ccc1Br 224657445 YQQXHQZGACKIAP-SFHVURJKSA-N 584.964 4.653 0 40 KJAB CSc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1C(=O)N1CCCCCC1 224834298 FWKUMFDJOMADEL-UHFFFAOYSA-N 515.745 4.889 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 224856466 QXXDRDPXSMGRBE-QHCPKHFHSA-N 569.699 4.590 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1ccc(Br)c(Cl)c1 224917332 BUWUMMVDCWFXMW-UHFFFAOYSA-N 515.857 4.857 0 40 KJAB 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225312374 LDLWEJJJPRXZMI-FCHUYYIVSA-N 561.449 4.775 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 225448075 KVEDUMFQKYIXQU-QFIPXVFZSA-N 586.552 4.733 0 40 KJAB COC(=O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)o1 225470299 PQLQTGSYADKVMS-CLJLJLNGSA-N 562.673 4.985 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225511268 QBCDZTCQRNSDRB-SQJMNOBHSA-N 566.164 4.925 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 225529713 WLILWMPSTUNTFD-MHZLTWQESA-N 618.569 4.911 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 225604867 KSKQHPVFEGSEQL-DEOSSOPVSA-N 582.937 4.799 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)NCC1(c2ccccc2)CCOCC1)S(=O)(=O)c1ccc(C)cc1 225860529 ZXPLDWCUXZADCY-UHFFFAOYSA-N 543.085 4.717 0 40 KJAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)CN(CCc4ccccc4)S(=O)(=O)c4ccc(OC)cc4)cc32)cc1 226010048 AYKVVEVZZXEQLE-UHFFFAOYSA-N 599.709 4.779 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 260860899 BBGHIHQUFFQHNC-HSZRJFAPSA-N 539.673 4.519 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 260896396 DJTIWPTYXUUQRF-DQEYMECFSA-N 535.710 4.831 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 260981618 BCSOKHHUAWXESY-SVEHJYQDSA-N 549.737 4.624 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccccc2)[C@H](CC)C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 261009241 TWRQLEKCUZRQID-BKMJKUGQSA-N 515.720 4.517 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 261092402 UIFHASMHVXUZID-YZNIXAGQSA-N 563.764 4.933 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N(CC)CC)c2ccc(C)cc2)cc1 408604653 HOKOPJXPCQYOKD-UHFFFAOYSA-N 523.655 4.710 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)ccc2Cl)c1 408629518 CPWRRCXVGRJWMH-FQEVSTJZSA-N 542.057 4.919 0 40 KJAB 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Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCN(C)CC3)cc2s1 408749299 NKECLWIIAQDZQY-UHFFFAOYSA-N 559.717 4.975 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(Cl)c(O)c(Cl)c3)c2=O)=N1 408971161 NDCRXIGFHMRQNX-LJJBLSSYSA-N 536.440 4.886 0 40 KJAB CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 408978710 ARORZKAOFKXBCL-RJQPNXBESA-N 603.096 4.531 0 40 KJAB CCOc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409268677 XKQJNNBCBGYUID-IAGOWNOFSA-N 521.477 4.958 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1[C@H](C)NC(=O)c1ccccc1Cl 409366208 ZFTDAWUTYOHEHM-ZDUSSCGKSA-N 569.856 4.778 0 40 KJAB O=C1CN(C(=O)C2CCC(F)(F)CC2)CCCCNC(=O)c2cc(Cl)ccc2OC[C@H](Cc2ccccc2)N1 643559050 JTNMOBNMFAJTLK-QHCPKHFHSA-N 562.057 4.624 0 40 KJAB CC(=O)N1CCCN(C(C)C)CCN(C(=O)Cc2ccc3c(c2)OCCCO3)Cc2ccc(Cl)cc21 643566249 VUWTZZAPWZYRJX-UHFFFAOYSA-N 514.066 4.540 0 40 KJAB CS(=O)(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)[C@H](N)Cc2ccc(Cl)c(Cl)c2)Cc2ccccc21 643588081 VEBMGEZISAJQHO-HHHXNRCGSA-N 589.589 4.564 0 40 KJAB Cc1ccc2nsnc2c1S(=O)(=O)N(CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O 913683 XMLAZFOMFHMSNL-UHFFFAOYSA-N 504.637 4.583 0 40 KJAB COC(=O)c1ccccc1NC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O 1224664 MMGZMXQLMGGTST-UHFFFAOYSA-N 517.607 4.731 0 40 KJAB COC(=O)CCN(C(C)=O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)cc1 1876743 VJPIOSOYQDKDDQ-UHFFFAOYSA-N 554.028 4.744 0 40 KJAB CCC12C(c3ccccc3)=C(c3ccccc3)C([C@@H]3C(=O)N(C(C)C)C(=O)[C@@H]31)[C@@H]1C(=O)N(C(C)C)C(=O)[C@@H]12 2353435 SLERGHQRBOATAD-CECJHMTCSA-N 510.634 4.656 0 40 KJAB Cc1ccc(NC(=O)C[C@@H]2Nc3ccccc3N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc1 2686957 ODRDKXBZNMVANR-NRFANRHFSA-N 507.388 4.552 0 40 KJAB CC(C)CCNC(=O)[C@@H](c1cccs1)N(C(=O)Cn1nnc(-c2ccccc2F)n1)c1ccccc1F 6134331 VGGSDTUHAUNOHP-XMMPIXPASA-N 524.597 4.617 0 40 KJAB CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(Cl)cc2)cc1 6821985 JTEABEVAIVBXOJ-QFIPXVFZSA-N 528.078 4.590 0 40 KJAB O=C(Nc1ccc(NC(=O)c2cc(I)ccc2I)cc1)c1ccco1 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CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3cccs3)C2)c1 9382446 GAQZZPGKZUSIRJ-FQEVSTJZSA-N 510.062 4.703 0 40 KJAB Cc1ccc([C@@H](C(=O)NCc2ccco2)N(C(=O)CNC(=O)c2cccs2)c2cccc(C)c2)cc1 12488016 JTQVUHHWXZHVHV-SANMLTNESA-N 501.608 4.779 0 40 KJAB Cc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2csnn2)c2ccccc2Br)o1 12871050 KWDIXGPFFOEDGZ-NRFANRHFSA-N 511.401 4.907 0 40 KJAB C[C@@H](NC(=O)CCCCCCCCC(=O)N[C@H](C)[C@@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 13424926 PZRMTWUETISIOM-BIQRORRISA-N 524.658 4.797 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1C 13670573 HKAWZLGVCNBOHX-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB O=C(NCCSCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 13681068 VYHBJQLONZTFEA-GOSISDBHSA-N 501.501 4.585 0 40 KJAB COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(OC)c(OC)c2)cc1OC 16742114 BRVSKXDXFWZFRW-AREMUKBSSA-N 519.525 4.754 0 40 KJAB O=C(CSc1ncc2c(n1)-c1ccccc1N(Cc1ccc(F)cc1)S2(=O)=O)Nc1ccccc1 20582590 MBYFNZSCIOEFGO-UHFFFAOYSA-N 506.584 4.722 0 40 KJAB CCOc1cc(CNCCNC[C@@H](C)O)cc(Br)c1OCc1ccc(Cl)cc1Cl 23471928 CBNBHDGBPRFVGH-CQSZACIVSA-N 506.268 4.794 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)Cc2ccc(Cl)c(Cl)c2)cc1 59837611 BTGZSGBHZCSULS-UHFFFAOYSA-N 624.612 4.984 0 40 KJAB Cc1ccccc1C(=O)N1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 64789822 KOSOWOQKXZCJLH-UHFFFAOYSA-N 511.987 4.692 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CCNC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)C2=O)cc(OC)c1OC 97980224 CSSRXJOJAFIBQH-UCQKPKSFSA-N 578.672 4.888 0 40 KJAB COc1cc(OC)cc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2cccc(C(F)(F)F)c2)c1 97985201 QLKRIYRKFMZOPI-UHFFFAOYSA-N 597.619 4.915 0 40 KJAB Cc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4cc(C(F)(F)F)ccc4Cl)nn23)cc1 97990169 ZBWIVGMRGMWVJS-UHFFFAOYSA-N 548.978 4.808 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)cc1OC 100276096 UJAGQEUXJZQORS-AREMUKBSSA-N 581.073 4.597 0 40 KJAB O=C(Nc1ccc(Br)cc1Cl)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 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4.645 0 40 KJAB COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)cc1 223569082 VLWBPBVKBPUGCH-XCZPVHLTSA-N 507.030 4.956 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 223694671 YCBIHVXVYPDEHB-AREMUKBSSA-N 515.720 4.573 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 223925280 LCIJXPQUBXAUSE-SFHVURJKSA-N 572.953 4.592 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 223951537 SJXZLGDZEOOIHR-SFHVURJKSA-N 540.513 4.544 0 40 KJAB COC(=O)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)cc1 223997698 QKYDCVRDUAPXPA-UIOOFZCWSA-N 511.607 4.794 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 224212654 DVIWOMUOUSYXGM-MHZLTWQESA-N 556.128 4.581 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 224213861 QQMPMDXMZVPKJP-SANMLTNESA-N 576.546 4.926 0 40 KJAB 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O=C1NC[C@@]2(CCCCCOc3ccc(Cl)cc31)CCCN(C(=O)Cn1ccc(C(F)(F)F)n1)C2 643559233 RRTPHKPFOZPGFN-HSZRJFAPSA-N 512.960 4.547 0 40 KJAB Cc1ccccc1S(=O)(=O)N1CCCCCN(C)C(=O)c2ccccc2OC[C@H]1Cc1ccccc1 643561587 UKFQFLFEFFKFBV-RUZDIDTESA-N 506.668 4.932 0 40 KJAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)NS(=O)(=O)c3cccc(Cl)c3)ccc21 643576064 HEDPADKGTXTRQJ-UHFFFAOYSA-N 520.095 4.986 0 40 KJAB Cc1nnsc1CNC(=O)c1ccc2c(c1)Cc1cccc(c1)CN(CCC(C)C)CCOCCO2 643579877 GYPGSHPCCNIBHK-UHFFFAOYSA-N 508.688 4.624 0 40 KJAB C/C=C(\C)[C@H](OC(C)=O)[C@H](C)c1cc(O)c2c(c1O)O[C@]1(C)CC[C@@H]3O[C@H](C(C)(C)O)C[C@H](OC(C)=O)[C@]3(C)[C@@H]1C2=O 1772591112 GYVJFRLDMIVUOF-PDDSXWFQSA-N 588.694 4.709 0 40 KJAB Cc1ccc(N(C(=O)Cn2nnc(-c3cccs3)n2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 887201 YTZGINIEZOECAZ-VWLOTQADSA-N 518.618 4.682 0 40 KJAB COc1ccc(CCN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)Cc2nnnn2Cc2ccc(F)cc2)cc1OC 1373007 OKZZYIKOEXCETA-UHFFFAOYSA-N 556.642 4.581 0 40 KJAB COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC4=CCCCC4)CC(=O)N32)cc(OC)c1OC 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0 40 KJAB CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O 13495225 RWBKQMLFZPGFJN-QHCPKHFHSA-N 502.619 4.850 0 40 KJAB CCOC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)c2C)sc(C)c1C 15231439 FVKBNKVWDRXRFQ-RGVLZGJSSA-N 509.559 4.755 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2Cl)c2cccc(Br)c2)cc1 16309673 UMHPALPTMHBCBJ-UHFFFAOYSA-N 507.837 4.923 0 40 KJAB CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 19856275 ASGQIPVNPYSOTG-UHFFFAOYSA-N 523.655 4.758 0 40 KJAB COc1ccc([C@@H](CC(=O)Nc2cccc(Br)c2)N(C)S(=O)(=O)c2ccccc2)cc1 19935953 WVHSCNRYHYMITE-JOCHJYFZSA-N 503.418 4.848 0 40 KJAB CC[C@@H](C)N(Cc1nc(-c2cccc(C)c2)no1)C(=O)COc1ccc(I)cc1 22257749 SNOHYBKSAKHNDW-MRXNPFEDSA-N 505.356 4.856 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc(Cc3ccccc3Cl)c(O)n2)sc2c1CCCC2 27526201 LYNQKKRABWJQLI-UHFFFAOYSA-N 519.048 4.669 0 40 KJAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@H](CCSC)NC(=O)c1ccc(OC)cc1 33668450 YDDZSZNZDQSLKA-NRFANRHFSA-N 513.689 4.570 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 59886383 OJJZMSRNNQKWKI-UHFFFAOYSA-N 579.700 4.947 0 40 KJAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3Cl)cc2)n1 59923007 KNEQFYYFYIGRKQ-UHFFFAOYSA-N 572.068 4.601 0 40 KJAB O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)Nc1ccc(I)cc1 59952859 BLNIRDSAPQVGEQ-UHFFFAOYSA-N 571.234 4.888 0 40 KJAB Cc1ccccc1C(=O)CN1C(=O)[C@H](NC(=O)NCc2ccccc2)N=C(c2ccccc2)c2ccccc21 95929334 JBHLTARXFCTZNL-PMERELPUSA-N 516.601 4.887 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 97946052 SMPKBDMCYXZAQB-CRCYZHLCSA-N 593.057 4.646 0 40 KJAB O=C(NN1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21)c1cccc(Cl)c1 98002749 JSVPALAAQUZJBO-JSZXIJHASA-N 586.667 4.890 0 40 KJAB COC(=O)c1c(NC(=S)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)sc2c1CC[C@@H](C)C2 98043529 DIALRALKTNGNDO-CYBMUJFWSA-N 562.566 4.670 0 40 KJAB COC(=O)c1sc(N2C(=O)C(O)=C(S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C 98047924 HRVQSRXCOSVOOO-INIZCTEOSA-N 539.418 4.876 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCCOc4ccccc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 100270613 AQMFMBQJLBZDCA-ATGSENMFSA-N 614.720 4.663 0 40 KJAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@]1(CC(O)=N2)C(=O)N(Cc2cccc(OC(F)(F)F)c2)c2ccccc21 101408899 OQLMHAFHGHZHKJ-AREMUKBSSA-N 560.496 4.570 0 40 KJAB CCCN(CCC)C(=O)CSc1nc2ccc(I)cc2c(=O)n1-c1ccccc1OC 102452010 CODROJSOVZTYMX-UHFFFAOYSA-N 551.450 4.740 0 40 KJAB CCOc1cc(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)ccc1OCc1ccccc1F 103786002 NZHMRMNBEIKAHN-FBHDLOMBSA-N 526.387 4.731 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(I)cc1 222597561 LDHTVMLPYUBJJK-FQEVSTJZSA-N 528.818 4.655 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 222694677 LEXHYGZEFMANOI-UHFFFAOYSA-N 605.094 4.727 0 40 KJAB O=C(NCCc1ccccc1)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)c2ccccc2O1 222726636 LBYYVWUJUNFGKA-GDLZYMKVSA-N 650.551 4.782 0 40 KJAB 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0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(F)cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC 101505738 DNCGMYMVQFQPDV-PYCBVSLESA-N 632.710 4.932 0 40 KJAB CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]3ON2c2ccccc2)cc(Br)c1O 102761153 YSJOAQTYWZPHOE-FUPPJEDESA-N 527.346 4.744 0 40 KJAB C[C@@H](OC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl)C(=O)NC12CC3CC(CC(C3)C1)C2 105484212 FKCHXOBTESEHHS-VTKOLAJRSA-N 535.037 4.910 0 40 KJAB CSCC[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 106588207 XLOFIBURHKEVSM-OJDZSJEKSA-N 587.786 4.681 0 40 KJAB biogenic COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2Cl)c2cc(Cl)ccc2OC)cc1OC 113933383 ZEKJLTGYJMAUTK-UHFFFAOYSA-N 539.437 4.531 0 40 KJAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 139696004 HJXLLFSVFNIGHV-UHFFFAOYSA-N 529.423 4.523 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 222561388 RNTINQOZFBQVMH-FQEVSTJZSA-N 562.519 4.969 0 40 KJAB 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COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3nccs3)c2C)cc1NS(C)(=O)=O 225473666 HKKUACUQMJIFML-GOTSBHOMSA-N 554.723 4.503 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC)S(=O)(=O)c2ccc(SC)cc2)cc1 225482161 OHPMFKXHKPIWJP-FQEVSTJZSA-N 634.618 4.928 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225531919 WEKYFUVWQVBDIZ-MHZLTWQESA-N 658.615 4.543 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 225552230 TXOQDSZYOWMKLY-SSEXGKCCSA-N 585.726 4.585 0 40 KJAB Cc1cc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)ccc1Br 225605154 FPFXSZIYKCTHTG-INIZCTEOSA-N 593.371 4.772 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 225638831 XDJHTPROXOAFHE-MHZLTWQESA-N 556.128 4.581 0 40 KJAB COc1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)n1 225976163 MEENVAJCUJDDHI-UHFFFAOYSA-N 520.678 4.749 0 40 KJAB CN1CCN(C(=O)CC2(COc3cccc(Cl)c3)CCN(C(=O)Cc3ccc4ccccc4c3)CC2)CC1 257250652 JNKSUOJFPCKSIM-UHFFFAOYSA-N 534.100 4.888 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)c2cc(C)cc(C)c2)cc1OC 260740871 MZITYTFORKLFNI-RUZDIDTESA-N 595.762 4.766 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 260904972 FHCUYSSEISXBCN-ZEQRLZLVSA-N 551.709 4.531 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1 260909091 QILSWCZPXHUVPN-JOCHJYFZSA-N 572.127 4.733 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 261093473 UOVIWKIUFVNZCN-GDLZYMKVSA-N 563.764 4.878 0 40 KJAB CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cc(Br)ccc3Br)o2)cc1 408637196 HFLPQHGTWHMETP-UHFFFAOYSA-N 526.210 4.951 0 40 KJAB CC(C)COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1 408665469 LYSQTEHXBZXQNF-UHFFFAOYSA-N 540.613 4.603 0 40 KJAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](c5ccccc5)CC[C@H]4C3=O)c2)cc1 408677556 AVBVIOCGDJFHMA-XCRWMPKNSA-N 554.599 4.732 0 40 KJAB C[C@H](C(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408681366 JAZDFQPFRCLAEI-SFAAMIIKSA-N 593.861 4.865 0 40 KJAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1)Nc1ccc(Br)c(Cl)c1 408689303 RWESAFWQOBJRDC-CALCHBBNSA-N 519.779 4.578 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 408831354 VHOMKANQHSOCKE-ASZNLBCTSA-N 600.718 4.797 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cccs2)n2c(s/c(=C\c3c(OCC(=O)OCC)ccc4ccccc34)c2=O)=N1 408925487 LJGFXBORMQCDNC-ZPVURNRZSA-N 590.723 4.735 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C\c3cccc(OC)c3OC)c2=O)=N1 408927887 TUNDKXVFNBOLME-ZYSRDMNZSA-N 572.683 4.758 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1 408986127 LRKRIXSKGKRPTG-HRLSHZPLSA-N 554.668 4.733 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C45CC6CC(CC(C6)C4)C5)ccc3O)c(=O)n2[C@H]1c1ccccc1 409079459 JVTHQVGXLNVUOG-VPNHWOEZSA-N 554.712 4.972 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OC)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409091365 PSWCYNXWDIDUMY-GVMLUORFSA-N 593.499 4.731 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c(C(=O)OC)c4)o3)c(=O)n2[C@H]1c1ccccc1OC 409099939 RYATUQGBLSWHFF-RGFRMHDHSA-N 620.127 4.812 0 40 KJAB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCCC4)c4ccc(Br)cc34)N(CC(=O)OC)C2=S)cc1 409141593 JCTZYTUHBPRSNE-QFEZKATASA-N 625.545 4.573 0 40 KJAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OCC)c3)C2=O)cc1OC 409167985 KHIIIQWIUHTJKN-MTJSOVHGSA-N 533.002 4.989 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccc(Cl)cc2)c2ccccc2)cc1OC 409171798 APLLARCYNOGKHV-UHFFFAOYSA-N 535.087 4.602 0 40 KJAB CN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)C1=O 409190852 RJXUIIBNCMOURM-VIZOYTHASA-N 503.123 4.700 0 40 KJAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Cl)c1OCc1ccccc1 409211405 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SSTXGBHFQPSKSV-UHFFFAOYSA-N 500.690 4.731 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCCOc1ccc(Cl)cc1Cl 3305309 ALOPDLGNCYKGJN-UHFFFAOYSA-N 502.416 4.803 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@@H]1c1ccc(C)cc1 6545209 ZXKIVXVLMCUUHM-LWUPDDLQSA-N 610.473 4.971 0 40 KJAB COc1ccc2nc(Cl)c([C@H]3CC(c4ccc(OC)c(OC)c4)=NN3C(=O)CCCC(=O)O)cc2c1 8913911 APQOPXABMUTWNL-OAQYLSRUSA-N 511.962 4.847 0 40 KJAB CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(=O)Cc3cccc4ccccc34)scc12 9381710 NIVJFRRPLXTXFW-UHFFFAOYSA-N 513.575 4.967 0 40 KJAB CCOc1ccc(N2CCCCn3c2nc2c3c(=O)n(Cc3c(Cl)cccc3Cl)c(=O)n2C)cc1 10102058 PUZBJOBCMPKNIA-UHFFFAOYSA-N 514.413 4.582 0 40 KJAB COC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)cc1 13026378 HEBHRJKETVHZFI-RUZDIDTESA-N 506.555 4.530 0 40 KJAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 13647555 JZDSSAPOCBGQBT-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1OC 18175352 BKVGQQYQSQAJSB-SKVJQKLOSA-N 510.546 4.917 0 40 KJAB Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N(Cc3ccc(F)cc3)Cc3ccco3)c(=O)[nH]c2c1 57608371 YJDMNHWWUBZTKM-SHQCIBLASA-N 528.588 4.526 0 40 KJAB Cc1cc(C)c(CNC(=O)CSc2nc3ccc(S(=O)(=O)N4CCCCC4)cc3s2)c(C)c1 59417629 CISMPIHCXQHACT-UHFFFAOYSA-N 503.715 4.805 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)c1cccc(Br)c1 59834542 WSTBERFDODBXIH-IERDGZPVSA-N 551.890 4.878 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 60016563 AWVDLAICWVAJPK-UHFFFAOYSA-N 612.557 4.929 0 40 KJAB CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(C)cc43)[C@@]23C(=O)Nc2ccccc23)c1 70699063 AWOZPBVCZRXSKJ-NFLLHDQJSA-N 521.617 4.798 0 40 KJAB biogenic Cc1cc(C)cc(Oc2coc3cc(OC[C@H](O)CN4CCN(c5ccccc5F)CC4)ccc3c2=O)c1 84085982 RLSWJOJINVVZKQ-JOCHJYFZSA-N 518.585 4.903 0 40 KJAB CNS(=O)(=O)c1cc(-c2nnc(Nc3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)c3ccccc23)ccc1C 97969043 GZSUTSHHOIIKBF-UHFFFAOYSA-N 622.751 4.985 0 40 KJAB COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 98008991 LHFGNBZYLQCROG-QFIPXVFZSA-N 537.609 4.729 0 40 KJAB Cc1ccc(Nc2nc([C@@H](C)N3CCN(S(=O)(=O)c4ccc(-n5cccn5)cc4)CC3)nc3ccccc23)cc1 100035958 HRUGQPSKAWGZCU-HSZRJFAPSA-N 553.692 4.935 0 40 KJAB COc1cc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)[C@@H](C)n2nnc3ccccc32)cc(OC)c1OC 100338713 QBQQKHJZUSHMMO-UKPGIYTDSA-N 629.714 4.966 0 40 KJAB CC[C@H](C(=O)NCCc1ccccc1)N(C(=O)Cn1nnc(-c2ccccc2F)n1)c1cccc(C(F)(F)F)c1 100458769 UGSBRLFTNLVOET-XMMPIXPASA-N 554.548 4.669 0 40 KJAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@]1(CC(O)=N2)C(=O)N(Cc2ccccc2)c2c(Cl)cc(Cl)cc21 101410147 BPICULSNKWNMRZ-SANMLTNESA-N 545.390 4.978 0 40 KJAB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cc(Br)cc(C)c4OC)cc3)CC2)cc1 105354242 NYXKJEBJAFONJH-UHFFFAOYSA-N 538.442 4.989 0 40 KJAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(Br)c3)cc2)cc1OC 108090961 PNFTYDKBIZWDLR-UHFFFAOYSA-N 505.390 4.544 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 108448357 VMFAODXVMJUOKC-DEOSSOPVSA-N 545.636 4.694 0 40 KJAB biogenic CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1OC 110708212 ZGJPARSPACLZPW-FABDANFUSA-N 509.646 4.954 0 40 KJAB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(Br)o5)c(=O)n42)c2ccccc2CC3)c1 147683922 PZPZHMPOZZSNEP-ZBXXMNEPSA-N 519.420 4.683 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 222505149 FEDKDVCKWWBUOT-WJOKGBTCSA-N 603.716 4.724 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 222673222 VXFPQQKKQAQWKX-NRFANRHFSA-N 593.371 4.854 0 40 KJAB C[C@H](C(=O)NCCC1=CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 222782010 QEESVHGZRNATQA-JOCHJYFZSA-N 546.133 4.526 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 223016469 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CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 224100611 KGPAATADDYLCHD-MUUNZHRXSA-N 525.649 4.538 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1 224160047 PZTAUEPZMBKQOF-VWLOTQADSA-N 565.736 4.530 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)c2ccccc2)cc1 224189426 SQBOBYPSMADBAE-VWLOTQADSA-N 565.736 4.779 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 224286005 MVVXFERWLLDDPK-LJQANCHMSA-N 568.445 4.722 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 224322854 FXZLFYTYWIFUBV-GDLZYMKVSA-N 567.727 4.847 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224344192 INGLXEQBELPKAT-SANMLTNESA-N 593.643 4.777 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O 224414240 SEUIOXJJDGKKAJ-KRWDZBQOSA-N 518.441 4.559 0 40 KJAB CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(OC)c(OC)c1 224456075 ASFLPLFQPMJGEK-OAHLLOKOSA-N 531.443 4.544 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 224533476 NQOKYHKTCUJWAY-SSEXGKCCSA-N 593.746 4.765 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 224539773 GSUXPHBJRPZZSY-MHZLTWQESA-N 572.127 4.796 0 40 KJAB C[C@@H](C(=O)NCc1cccc(CN2CCCCC2)c1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 224657993 CUEXTVUNFCGXNH-QHCPKHFHSA-N 521.683 4.936 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 224722707 NQHUGKUHLUWDBV-JOCHJYFZSA-N 542.101 4.787 0 40 KJAB COc1ccc(CCC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC2CCCC2)cc1OC 224756980 FNYRKVNHIRXAMK-GOSISDBHSA-N 517.464 4.875 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 224893148 IWYBPOUAISJCDI-INIZCTEOSA-N 548.920 4.665 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)OC)c3)o2)ccc1OC 225310041 DVBSQLGMRMUCHK-NSOVKSMOSA-N 572.643 4.899 0 40 KJAB CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)cc1 225404760 VXNAKAUHVGSLOY-IZZNHLLZSA-N 533.679 4.820 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1Cl 225480638 DCWVXENCVAQDMP-QFIPXVFZSA-N 572.127 4.794 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 225511023 COWJWVYVNBXBMG-XMMPIXPASA-N 582.937 4.799 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225511909 AONCKPKUINQIQC-GDLZYMKVSA-N 636.170 4.939 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2c(C)cc(Br)cc2C)C1 226049583 UOIOYRASCOHTMG-OAHLLOKOSA-N 515.857 4.767 0 40 KJAB CNc1nc(-c2ccc(OC)c(NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(OC)c(OC)c3)c2)cs1 226063074 PLIKKAXGWCXLQU-UHFFFAOYSA-N 596.731 4.750 0 40 KJAB CNc1nc(-c2ccc(OC)c(NC(=O)COc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3)c2)cs1 226083618 LVWLYDNQDASZAE-UHFFFAOYSA-N 538.651 4.987 0 40 KJAB CO[C@H]1C[C@@H](O[C@@H]2C(C)=CC[C@H]3C[C@@H](C[C@]4(C=C[C@H](C)[C@H](C(C)C)O4)O3)OC(=O)[C@@H]3C=C(C)[C@H](O)[C@@H]4OCC(=CC=C[C@@H]2C)[C@@]43O)O[C@@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@@H](O)[C@@H](C)O1 254793076 ZFUKERYTFURFGA-ASJQGOHASA-N 859.063 4.987 0 40 KJAB CN1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CCCN(C(=O)c3ccccc3Br)C2)CC1 257314090 UVGFEXVMHWUWLB-SANMLTNESA-N 548.909 4.568 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1C 260823652 ZBTDZWKPMZCFRG-GOSISDBHSA-N 542.529 4.708 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 260945936 JGOQYLDDLYDYHJ-CVEARBPZSA-N 578.946 4.753 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccc(C)cc2)[C@@H](CC)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 260973353 MVHWXWXGWAKLAH-KCWPFWIISA-N 545.746 4.662 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 261010358 UESIYXGWODNTSG-BWKNWUBXSA-N 536.138 4.917 0 40 KJAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 408558993 TZYLVBOHAKQQLW-UHFFFAOYSA-N 567.711 4.751 0 40 KJAB COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3CC=C(C)C[C@H]3C2=O)cc1 408641897 LGQROTBFJKYPKF-RTBURBONSA-N 501.366 4.583 0 40 KJAB CC1=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@H]4CC(=O)N(c5cccc(Cl)c5Cl)C4)cc3)C(=O)[C@@H]2C1 408656916 HVJFGDWEDCRIFH-ZYSHUDEJSA-N 513.377 4.798 0 40 KJAB CCCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1 408666020 NGBIIJHZUCIEOM-UHFFFAOYSA-N 540.613 4.747 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1C(=O)N1CCCCC1 408693517 YHYDHBVDDFHEEZ-UHFFFAOYSA-N 578.112 4.885 0 40 KJAB CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)cc1C(=O)N1CCOCC1 408715028 XNMHIPAULHEMCB-UHFFFAOYSA-N 597.740 4.636 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3OC)c(=O)n2[C@H]1c1ccccc1Cl 408834007 KTYWKLDWTPZIDV-JYWRCUDFSA-N 537.852 4.767 0 40 KJAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 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Cc1ccc(Cl)cc1N(CCCC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 261087876 SNXHNOGJPAEJFJ-LJQANCHMSA-N 540.101 4.666 0 40 KJAB COc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(C)cc3)cc3cc(Br)ccc32)cc1 408577594 PVFXCAWUEIZZPL-UHFFFAOYSA-N 521.371 4.682 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC(c2ccccc2)c2ccccc2)cc1OC 408602842 AZMAPWKYOJKQDT-UHFFFAOYSA-N 544.673 4.843 0 40 KJAB O=C(CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O)Nc1ccc(I)cc1 408627805 QAYNUYLMDLACIE-UHFFFAOYSA-N 524.767 4.759 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3C)cc2)cc1Cl 408701982 IOWVFUIRGXUVJQ-UHFFFAOYSA-N 548.086 4.794 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)cc2)cc1 408711250 MCIBTKXOLKWBAB-UHFFFAOYSA-N 537.619 4.549 0 40 KJAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2cc(I)c(OC)c(I)c2)S1 408815570 RSOXSTOBBJFVPM-UHFFFAOYSA-N 607.231 4.984 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(C(=O)O)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408836825 WAKAVXWRQDGRSU-LCQSEVKBSA-N 724.573 4.997 0 40 KJAB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3O)c(=O)n21 408933332 AQXNCSMWXMDRHX-YMAYPHAPSA-N 795.231 4.873 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cc(OC)ccc4OC)c(OCC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 408984262 GECQEOVEVDGQDZ-HQNZAIDJSA-N 704.798 4.819 0 40 KJAB CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(F)cc4)cc3)c(=O)n21 409011196 FFMAQHLJIQKXIZ-CXABMRDKSA-N 646.737 4.940 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cn(CC(=O)OCC)c4ccccc34)c2=O)=N1 409037891 OCGNRFLQPZVNAM-UNRSNATKSA-N 622.143 4.758 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cc(I)c(OC)c(OC)c3)c2=O)=N1 409048808 XHYCJLDBMOFJNW-LYRGBEMXSA-N 727.415 4.971 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Br)c(O)c(I)c4)c(=O)n32)cc1 409081225 PEGQNNRAZGVJLH-XPCGLTFESA-N 702.368 4.955 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Sc4nc(C)cc(O)n4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 409092163 VYOYMWDNTUABCY-LPMBFVOQSA-N 752.463 4.889 0 40 KJAB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)NCc4cccs4)c4ccccc34)NC2=S)cc1 409144116 NZNWKYLNDDYNQF-UCQKPKSFSA-N 516.648 4.680 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c2ccccc2)cc1OC 409166841 HAFUOHFZFAFSFM-UHFFFAOYSA-N 616.117 4.992 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)c(Br)cc1O 409327984 OQZRLPYWZJVFSF-IUXPMGMMSA-N 603.232 4.833 0 40 KJAB Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1 409381120 FJWRLMAQESQNQZ-QQXSKIMKSA-N 541.629 4.634 0 40 KJAB COc1ccc(CC(=O)N2CCC3(CC2)CO[C@H]2c4ccccc4O[C@@](C)(CCC(=O)O)[C@@H]2C3)cc1F 2037854325 MQBADWURIHZZFS-MHWRTBLVSA-N 511.590 4.779 0 40 KJAB O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1 637859 UQRLXUPZJCSEEK-UHFFFAOYSA-N 536.456 4.672 0 40 KJAB Cc1c(Br)c(C(F)(F)F)nn1CC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 845146 OJZPFBJDANNLTI-JTQLQIEISA-N 521.403 4.923 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2c1 918524 FOZAZCZFZCBGQB-UHFFFAOYSA-N 506.502 4.930 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1cnccn1 921779 BYZWVCKZFDNNSZ-VWLOTQADSA-N 506.990 4.691 0 40 KJAB CC[C@@H](Sc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 2976350 DULNKWTYLADUOC-MUUNZHRXSA-N 572.687 4.714 0 40 KJAB O=C(CSc1nnc(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)s1)Nc1ccc2c(c1)OC(F)(F)O2 3310283 DXQZAHFGWSQGDU-UHFFFAOYSA-N 576.531 4.643 0 40 KJAB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)CCC(=O)Nc4sc5c(c4C(N)=O)CCC5)cc3)sc2c1 3329616 HVGZPLJQUPXXRA-UHFFFAOYSA-N 562.673 4.821 0 40 KJAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccccc3F)c(OC)c2)C1=O 8383985 VDNDNLMCEHWLLA-VCHYOVAHSA-N 571.364 4.617 0 40 KJAB COc1ccc(CCNC(=O)c2c(N)n(CCc3ccccc3F)c3nc4ccccc4nc23)cc1OC 8871065 WYYZNYIRICADDW-UHFFFAOYSA-N 513.573 4.538 0 40 KJAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CCCC(=O)OCCCc2ccccc2)cc1 12137266 APABFEOSVQUNCW-UHFFFAOYSA-N 508.640 4.792 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)[C@@H](C(=O)NC(C)(C)C)c3cccs3)n2)cc1 12478809 AJKDJSYEUGGJBP-HSZRJFAPSA-N 506.607 4.538 0 40 KJAB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCCCCC(=O)OC)c(Cl)cc1Cl 12746209 BUUQYJUYRKCPEB-UHFFFAOYSA-N 501.432 4.672 0 40 KJAB O=C(COC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1)Nc1nnc(-c2ccccc2)o1 13095468 LLUFUWKRNAFXTD-UHFFFAOYSA-N 522.627 4.853 0 40 KJAB C[C@H](NS(=O)(=O)c1cccc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)c1)c1ccccc1 13164775 ULIJQZUXODTMCT-NRFANRHFSA-N 508.640 4.710 0 40 KJAB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)cc3)CC2)c1 20411665 ISYJWJABURJSSP-LFYBBSHMSA-N 506.002 4.972 0 40 KJAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 20484836 AQPGVHYUSDPBDH-UHFFFAOYSA-N 509.031 4.730 0 40 KJAB CCCCNC(=O)C[C@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3ccc(CC)cc3)N2C1=O 20643127 KWUZTFVEGJHWRA-DHIUTWEWSA-N 519.671 4.664 0 40 KJAB COc1ccccc1CNc1nc([C@H](C)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nc2ccccc12 22052785 MUKKQXLPZAVSIW-QFIPXVFZSA-N 531.682 4.626 0 40 KJAB Cc1ccc(CN(c2ccc(OCC(=O)Nc3ccccc3Br)cc2)S(C)(=O)=O)cc1 22231628 LQTUTGQFGLVMGC-UHFFFAOYSA-N 503.418 4.741 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(Oc2ccccc2)cc1 59885777 ZESJYSIFLQMYAF-UHFFFAOYSA-N 569.636 4.824 0 40 KJAB COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc(O)cc(C(F)(F)F)n2)cc1OC 60321465 CNCSRWXYPNOXSY-AWEZNQCLSA-N 524.546 4.750 0 40 KJAB C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3)cc(OC[C@@H](O)CN3CCOCC3)c2C(=O)O1 70680903 KFWCKUDCAUPUIK-PFPYRSKBSA-N 551.680 4.819 0 40 KJAB Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NC[C@H]5CCCO5)cc4)C(=O)N32)cc1 70701030 JHOZNIPWXXSRIM-OVTKCHPXSA-N 534.616 4.868 0 40 KJAB biogenic Fc1c(I)c(Br)cc(Br)c1I 96171642 XWQYLBSJMAUZTE-UHFFFAOYSA-N 505.688 4.560 0 40 KJAB Cn1c(=O)c2c(nc(CN(Cc3ccccc3)Cc3ccccc3)n2Cc2c(Cl)cccc2Cl)n(C)c1=O 97987838 VUAWRCDAOSRHOR-UHFFFAOYSA-N 548.474 4.991 0 40 KJAB NC(=O)c1nsc(C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](C(=O)NC2CCCCC2)c2cccs2)c1N 100290001 QWLVACKYSJSRAM-IBGZPJMESA-N 551.616 4.742 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cc(OC)ccc1OC)N(Cc1ccccc1F)C(=O)Cn1nnc2ccccc21 100355600 BOGCUYPUQYHJJZ-MUUNZHRXSA-N 547.631 4.663 0 40 KJAB COc1cc(OC)cc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2c(C)cccc2C)c1 100364977 QWYCUIUVSRSQEK-SSEXGKCCSA-N 541.652 4.899 0 40 KJAB COc1cc(OC)cc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2C)c1 100364997 POMRBILFIKRZED-SSEXGKCCSA-N 541.652 4.899 0 40 KJAB COc1ccc2[nH]cc(CCN/C(=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c3ccc(Cl)cc3)c2c1 101380731 BDNONFXLKVQKQA-OCEACIFDSA-N 528.996 4.965 0 40 KJAB CC(C)C[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]12 101500883 AMFTWLGBALJBNF-UDUVIOQSSA-N 540.623 4.920 0 40 KJAB CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3ON2c2ccccc2)cc1OC 102751487 BZYYLYYTEBWSRW-ZONZVBGPSA-N 502.567 4.934 0 40 KJAB C[C@H](NC(=O)C(C)(F)F)[C@@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@@H]3CCOC3)c2)c1)c1ccc2c(c1)OCCO2 116226095 ZZWJKLGCDHYVMB-VNHZXFAYSA-N 606.626 4.595 0 40 KJAB COC(=O)COc1c(I)cc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)cc1OC 150455759 OATKWCXUQBNQNC-MFOYZWKCSA-N 618.243 4.851 0 40 KJAB O=C1[C@H]2N=NN(CC(=O)N3N=C(c4ccc5ccccc5c4)C[C@@H]3c3ccccc3)[C@@H]2C(=O)N1c1cccc(F)c1 200199942 KWTNRJJQQQYHRL-FGUUHEIUSA-N 546.562 4.650 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 222411090 XCZBTBKATNHBSM-QFIPXVFZSA-N 542.101 4.624 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 222508973 JJVJKMBBSZKDFM-QDPGVEIFSA-N 611.761 4.630 0 40 KJAB O=C(NCCN1CCOCC1)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl 223391771 GSWSCXSYINTRSF-MUUNZHRXSA-N 556.490 4.591 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 223518727 VCXFYNDFKBBGJL-AREMUKBSSA-N 620.997 4.953 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c4c(cccc24)CC3)c2ccc(F)cc2)cc1OC 223847784 NXSDTYGGQQODET-UHFFFAOYSA-N 520.582 4.929 0 40 KJAB 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CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 224520456 KRMNJTNPSVTXCB-LJAQVGFWSA-N 565.736 4.957 0 40 KJAB CCOc1ccc(N(CC(=O)NCc2cccc(CN3CCCCC3)c2)S(=O)(=O)c2ccccc2)cc1 224649043 PSIIMVYSHCCZJI-UHFFFAOYSA-N 521.683 4.583 0 40 KJAB Cc1ccc(OCCNC(=O)c2ccc(CN(c3ccc(F)c(Cl)c3)S(C)(=O)=O)cc2)cc1C 224810761 FBYQMARRELQUHP-UHFFFAOYSA-N 505.011 4.871 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 224901227 LJNCNICHWWXPDM-LJAQVGFWSA-N 598.165 4.814 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccccc2)cc1 224979694 IUMTYAFQPISVFE-ZEQRLZLVSA-N 551.709 4.613 0 40 KJAB CC(C)CSc1nnc(NC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)s1 225076018 BIBYZPLRAOUCEB-UHFFFAOYSA-N 523.533 4.774 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 225092032 XUXRMVFJDNJSLU-HHHXNRCGSA-N 527.731 4.798 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 225427544 IPICAORMWZROFJ-DHIUTWEWSA-N 586.154 4.918 0 40 KJAB CCOc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 225430683 ZAECUQFXVPSOHO-UIOOFZCWSA-N 579.763 4.964 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(=O)O)c1 225673102 TUBLNDAGJXMEKD-KAYWLYCHSA-N 541.633 4.580 0 40 KJAB CC(C)Oc1cccc(CN(CC(=O)O)C(=O)[C@H]2CC[C@H](O)[C@@H](Nc3cccc(OC(C)C)c3)CC2)c1 257276714 NUVWIZNTUQUHDX-ICTDUYRTSA-N 512.647 4.706 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)c1ccc2c(c1)OCCO2 260926608 JWOJLCVJARDWPX-MUUNZHRXSA-N 672.642 4.789 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 260991721 CRZZYNFAJALWOO-ZBLYBZFDSA-N 574.118 4.800 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)(C)C)c2ccccc2)cc1OC 261045302 LECFINXFEFVURP-OAQYLSRUSA-N 646.604 4.994 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 261060424 NSWYHHIBPQUEIF-ZBLYBZFDSA-N 604.144 4.809 0 40 KJAB Cc1ccccc1N(CC(=O)N1CCN(c2cccc(C)c2C)CC1)S(=O)(=O)c1ccc(Cl)cc1 408615462 ALHKSECPVPITSK-UHFFFAOYSA-N 512.075 4.809 0 40 KJAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@@H]4CC(=O)N(c5cc(Cl)ccc5Cl)C4)cc3)C(=O)[C@H]21 408644780 SZJGMPDCYUYAJE-CPMLIZHXSA-N 513.377 4.654 0 40 KJAB O=C(Oc1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408673419 WVPCVQZTTDTYQM-JCGIZDLHSA-N 501.366 4.632 0 40 KJAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408681941 JVWAKJVQJGCCCV-PCLDUBMHSA-N 543.019 4.739 0 40 KJAB Cc1cccc(C)c1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)S(C)(=O)=O 408920806 NTBFEVMBCZNINH-UHFFFAOYSA-N 556.493 4.816 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3Cl)c(=O)n2[C@@H]1c1cccc(Br)c1 408985415 LVSVIKVHVODEKI-ZZODWALSSA-N 552.277 4.868 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 409001641 PVIQDZDMPWJWRM-IGSWSUAKSA-N 593.455 4.519 0 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500.551 4.981 0 40 KJAB biogenic CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 3235945 PADMQTGTQBQPKA-UHFFFAOYSA-N 519.545 4.619 0 40 KJAB COc1cccc(-n2c(S[C@@H](C)C(=O)Nc3cccc(C(C)=O)c3)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1 3263284 NXUVVOOFBHYNOZ-IBGZPJMESA-N 579.704 4.515 0 40 KJAB CCCn1nc(C(=O)OCC(=O)Nc2sc(-c3ccccc3)cc2C(=O)OCC)c2ccccc2c1=O 3309972 PFNAHFPCIFZUEN-UHFFFAOYSA-N 519.579 4.507 0 40 KJAB Cc1cccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc5C4)c3)CC2)c1C 3311072 XTNKWSPEIVVSSQ-UHFFFAOYSA-N 524.086 4.666 0 40 KJAB COc1ccc(CN(C(=O)CN2C(=O)C(=O)c3ccccc32)[C@H](C(=O)Nc2ccc(N(C)C)cc2)c2ccc(F)cc2)cc1 8695776 XVYKPZMKTYGUOF-HKBQPEDESA-N 594.643 4.838 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(I)cc3)ccc2C)cc1 10314690 MBSZSXBCBDWSRA-UHFFFAOYSA-N 506.365 4.961 0 40 KJAB CCOC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(OC)c2)cc1 11726294 PZALSYVZGISCFT-VWLOTQADSA-N 505.567 4.708 0 40 KJAB Cc1oc2cc(OC[C@@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc2c(=O)c1-c1ccc(F)cc1 12499694 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CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)c(OC)c4)[C@H]3C2=O)cc1 102759652 YQHMCXNPSUVVDG-CMTIAEDTSA-N 518.566 4.552 0 40 KJAB COC(=O)c1c(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4C)[C@H]3c3cccs3)C2=O)sc2c1CCCC2 102860655 WSKABRHZVHHUGL-FDFHNCONSA-N 508.621 4.835 0 40 KJAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1-c1ccccc1 103000523 FPPGKGMCMBGHMR-UHFFFAOYSA-N 593.731 4.872 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 222472277 HBADSZGNSPUBAY-WNCULLNHSA-N 545.746 4.580 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccccc2OC)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 222536703 YVEGKFLDGFLFCU-PMERELPUSA-N 607.773 4.559 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)c1ccc2c(c1)OCCO2 222615529 YKGNBLJHYFUQBY-NDEPHWFRSA-N 628.191 4.680 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 222666170 XCEUIARFIFVSAU-MRXNPFEDSA-N 534.465 4.599 0 40 KJAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)NCCNc1ccnc2cc(Cl)ccc12 222823296 OSNXLHUWEJJXMU-UHFFFAOYSA-N 571.486 4.900 0 40 KJAB CCc1ccc(CC)c(CNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 223106882 JSRWFSPSEAJVKO-UHFFFAOYSA-N 524.683 4.957 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 223249547 IWYYDUBXAHVHMZ-RBBKRZOGSA-N 580.589 4.944 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 223345442 WTNZHVUGRCNSLD-HSZRJFAPSA-N 540.101 4.747 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223433316 PYDJRVBCIMWPQG-PMERELPUSA-N 649.716 4.708 0 40 KJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 223541716 PKKIRACSNYQILM-DEOSSOPVSA-N 583.726 4.796 0 40 KJAB CCOc1ccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 223761560 WRSHGJFISBEVFK-UHFFFAOYSA-N 556.681 4.616 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 223783722 WQXWWBZJRVYEGG-RBISFHTESA-N 630.605 4.779 0 40 KJAB CCCC[C@H](CC)CNC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 223830380 ARVZSHDZRDMHBN-SFHVURJKSA-N 528.456 4.819 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223914261 NIVJSXSKRQMGRX-QHCPKHFHSA-N 542.529 4.792 0 40 KJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cn2)N1c1ccc(N2CCOCC2)cc1 223947240 UAYFIHZYDLASHQ-IZZNHLLZSA-N 517.058 4.934 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 223947517 OHAKSZRYUMVYDJ-GOSISDBHSA-N 596.508 4.890 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 224005466 LKEXRLFVXZRCMX-HKBQPEDESA-N 627.763 4.819 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224278979 IDGLTEXCBFGGHQ-VWLOTQADSA-N 531.694 4.547 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 224362284 IGGAGPAJJNLHHF-MHZLTWQESA-N 553.700 4.835 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 224412392 UIFYBLUOEHIIOL-HSZRJFAPSA-N 550.508 4.856 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 224431266 MSVGIAHHYQNXPR-HSZRJFAPSA-N 542.529 4.792 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 224504557 HHBMCBIRURHSSV-HSZRJFAPSA-N 600.565 4.643 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 224590079 QPYQRFLBILKJRA-MUUNZHRXSA-N 586.154 4.589 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 224648407 GLYRBUUYGGSWDA-HXUWFJFHSA-N 590.515 4.725 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCOCc2ccccc2)cc1)c1ccccc1C(F)(F)F 224784220 XDHMZCVDDQTTQM-UHFFFAOYSA-N 506.546 4.618 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 224982022 CWGJCALQEBOQQH-LOSJGSFVSA-N 535.710 4.831 0 40 KJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 225054934 FMRKZVUCAUXSRY-QFIPXVFZSA-N 572.127 4.530 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225071894 YPUHPHSSCTYIHD-DNQXCXABSA-N 581.735 4.540 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 225204386 PVEHEQDUCJDHHY-JOCHJYFZSA-N 616.578 4.987 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 225293078 ZICJCRDHGONFOR-JKSUJKDBSA-N 593.371 4.854 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC)S(C)(=O)=O)cc1 225616796 XHWXEJWWBCXGLD-NDEPHWFRSA-N 586.154 4.671 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Br)s1 225659877 FEYOMTYNEABBHA-NHCUHLMSSA-N 517.474 4.916 0 40 KJAB COc1ccc([C@@H]2[C@H](C(=O)OC(C)(C)C)N3N=Cc4ccccc4[C@H]3C23C(=O)OC2(CCCCC2)OC3=O)cc1OC 248176133 VTNNDIVEQRISJU-CYXNTTPDSA-N 576.646 4.649 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 260754336 QKLSSYNGRDMGMP-JOCHJYFZSA-N 572.127 4.794 0 40 KJAB CCc1ccc(N(CCCC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 260878572 BTCWYHYMYKSRQD-KCWPFWIISA-N 529.747 4.560 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 260906940 FKBPYXSWRZQDSO-JTSKRJEESA-N 572.953 4.591 0 40 KJAB CCC1=C(C)[C@H](Cc2[nH]c(/C=C3/N=C(C[C@@H]4NC(=O)C(C)=C4CC)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O 299888707 UNKYOXKQMHLGPW-XEYADGQRSA-N 590.721 4.700 0 40 KJAB Cc1cc(Cl)ccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 408584338 OIQXXQDDTNGXOB-NRFANRHFSA-N 507.837 4.939 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)sc2c1CCC2 408607418 MAYCVTVVYTZUSB-UHFFFAOYSA-N 516.616 4.695 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCCc2ccc(OC)c(OC)c2)c2ccc(F)cc2)cc1 408622228 BKWQUZHBCQCXCH-UHFFFAOYSA-N 621.687 4.658 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)Cc2ccccc2)cc1C 408624934 UPTGAMNFRWTCKW-UHFFFAOYSA-N 561.626 4.562 0 40 KJAB COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1Cl 408711455 YOHHRNWPICOMDF-UHFFFAOYSA-N 586.519 4.988 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OCC)c4)o3)c(=O)n2[C@H]1c1ccc(Br)cc1 409000865 NLPCPRGDTJZVIS-SJJVXOANSA-N 621.509 4.998 0 40 KJAB CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)c(=O)n21 409156803 MAVANKBIDFAFCG-KMBIYUNPSA-N 593.057 4.809 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(F)F)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409174480 MRJYYWGHCHMWGK-ZEKHAJRLSA-N 577.653 4.867 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2cc(Cl)ccc2C)cc1 409247056 AXZWVXBLBXUWLA-UHFFFAOYSA-N 562.113 4.575 0 40 KJAB CN(C)c1ccc(NC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409381334 SWYZZVJBQRNVNJ-VXKWHMMOSA-N 545.375 4.534 0 40 KJAB COc1cc(CN2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OCCn1ccnc1C 585271218 LPYRROPAVDHFOX-MHZLTWQESA-N 500.039 4.647 0 40 KJAB CN1CCN(C(=O)c2cnc(C3CC3)nc2)CCOc2ccc(-c3cccnc3)cc2Cc2cccc(c2)C1=O 643567331 CKPGOICPYQGOJX-UHFFFAOYSA-N 533.632 4.614 0 40 KJAB COC(=O)c1ccc(NC(=O)CC[C@@H](C)[C@H]2CC[C@@H]3[C@@H]4[C@H](C[C@H](O)[C@@]32C)[C@@]2(C)CC[C@@H](O)C[C@@H]2C[C@H]4O)cc1 1889191869 BMJUCCRDGCHIRL-VYAYHRKYSA-N 541.729 4.789 0 40 KJAB CCCc1cc(C(=O)N2CCC[C@@]3(C[C@H](OCc4ccc(Cl)cc4)CN(CC4CC4)C3=O)C2)on1 2037879447 XEKQAQYKBICGHT-WNCULLNHSA-N 500.039 4.731 0 40 KJAB COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2cccc(C(C)=O)c2)cc1OC 906126 CGCKQSQHKOXFBL-WJOKGBTCSA-N 569.662 4.875 0 40 KJAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N(Cc2cccnc2)C(=O)CSc2nc(C)cc(C)n2)cc1 1405480 LCWULWOQVCKXLZ-HHHXNRCGSA-N 527.650 4.998 0 40 KJAB COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(Cc4ccc(Cl)cc4)CC(=O)N32)cc(OC)c1OC 2150358 JXIPAZKVTPCLBD-QDPGVEIFSA-N 546.023 4.732 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 2680837 UNSHOENUDMUAGG-FOOJEKODSA-N 506.693 4.818 0 40 KJAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 3360825 ZXKRJSBRLOZTJS-QGZVFWFLSA-N 512.484 4.858 0 40 KJAB COc1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2Br)C(Cl)(Cl)Cl)cc1 3406187 GNFGTFSQMRVYIW-OAHLLOKOSA-N 511.656 4.870 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@@H]1c1ccccc1 3663848 QHDGHTHEZZQERM-DLBLZJNESA-N 596.446 4.663 0 40 KJAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1Br 4109694 XAGIMWYTADTOSZ-UHFFFAOYSA-N 557.470 4.530 0 40 KJAB CN(C)c1ccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@H](OC(=O)Nc5ccc(C(C)(C)C)cc5)CO[C@H]34)n2)cc1 5399092 DOVNQOGHXLJQFP-BKKFENPESA-N 517.630 4.703 0 40 KJAB biogenic,in-vitro COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(CN2CCCC2)cc1 6288727 FNBDFLSDHOBXNH-UHFFFAOYSA-N 527.282 4.943 0 40 KJAB COc1ccc(N(C(=O)C[S@@](=O)CC(=O)Nc2ccc(F)cc2)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1 6973694 SWOSVWPUPRRNBB-NLHMWIQVSA-N 585.723 4.806 0 40 KJAB CCN(CC)CCCNc1sc(S(=O)(=O)c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1 8654562 MSBQMWGZDSWVSH-UHFFFAOYSA-N 528.121 4.606 0 40 KJAB Cc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccc(OCc5ccccc5)cc4)cc3)nn12 8832930 JVWBQPHSNBZNBE-UHFFFAOYSA-N 514.636 4.545 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@@H]1c1ccccc1 9348308 YSUHOSNGGCJACV-YPKVGQCMSA-N 501.007 4.589 0 40 KJAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CCC(=O)N2CCC(C(N)=O)CC2)cc1 9667361 LPUBGPZWRUCSAA-SSEXGKCCSA-N 520.633 4.803 0 40 KJAB COc1ccccc1CNc1nc(NCc2ccccc2OC)n(C(=O)COc2ccc(Cl)cc2)n1 9847074 YOALZTLVLNKVNF-UHFFFAOYSA-N 507.978 4.892 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 12532605 OVILFTGCZNONAF-UHFFFAOYSA-N 507.612 4.709 0 40 KJAB O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 12546632 STVWPTYLJNGVHM-UHFFFAOYSA-N 524.668 4.546 0 40 KJAB COc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1 13030633 IYQMXMZIMLCQPL-MHZLTWQESA-N 503.578 4.516 0 40 KJAB CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)CC)c2ccc(C)o2)cc1 13032172 NNORZXORPHKOQU-SANMLTNESA-N 503.603 4.811 0 40 KJAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)cs1 13128177 AKGZFTFABUUXCW-CYYHYYEZSA-N 518.620 4.694 0 40 KJAB CCOC(=O)CCNC(=O)Nc1ccc2nc(C)n(Cc3ccc(-c4ccc(OC)cc4)cc3)c(=O)c2c1 13496488 SWISUTNTCBTSCY-UHFFFAOYSA-N 514.582 4.504 0 40 KJAB COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CCC(=O)N2CCCC2)c2ccc(C)cc2)cc1 13503401 JFAMIIKPZXZYQI-GDLZYMKVSA-N 505.659 4.929 0 40 KJAB Cc1ccc(CSCCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1 13677265 OWXYYVURSCDJKZ-IBGZPJMESA-N 515.528 4.893 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)ccc2C)cc1 13679842 YVZWWOYQDUQVQP-UHFFFAOYSA-N 514.607 4.682 0 40 KJAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 15910348 INOYBRCYHVFHBL-LZYPDUGYSA-N 513.656 4.594 0 40 KJAB CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OCC)C(=O)[C@H]3ON2c2ccccc2)cc1OC 18033630 LRBKOSZXIYIYBS-PFBJBMPXSA-N 502.567 4.934 0 40 KJAB CCCC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 18209238 YAGHYOBBZABUMG-MKTBVKGBSA-N 522.601 4.863 0 40 KJAB COc1ccc(Cl)cc1Nc1nc(N)nc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 19899217 BKDYSNWSLKDMIG-UHFFFAOYSA-N 516.049 4.767 0 40 KJAB Cc1cc(I)ccc1NC(=O)CSc1nnc(COc2cccc(C)c2C)o1 59176164 OLNKCKREPAQTJU-UHFFFAOYSA-N 509.369 4.909 0 40 KJAB COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 59888371 PDGUUNYNTSWNHT-UHFFFAOYSA-N 586.091 4.983 0 40 KJAB CC(=O)[C@H]1c2c(c(O)c3c(O)cccc3c2-c2c3c(c(O)c4c(O)cccc24)C(=O)C[C@](C)(O)[C@H]3C(C)=O)C(=O)C[C@]1(C)O 85544494 HLVSLAAHFAXHHP-ANFUHZJESA-N 598.604 4.502 0 40 KJAB Cc1cccc(C)c1N1C(=O)[C@@H]2N=NN(CC(=O)N3N=C(c4ccc(Br)cc4)C[C@H]3c3ccccc3)[C@H]2C1=O 98046039 MKGINFLQCADYOG-VXQMPNGUSA-N 585.462 4.737 0 40 KJAB COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc1 100859899 UVJQZPSMGXPSJC-AYRHNUGRSA-N 577.428 4.673 0 40 KJAB Brc1c(Br)c(Br)c2c(c1Br)OCCOCCOCCO2 101660544 LYOOYEYAQPQVKG-UHFFFAOYSA-N 539.840 4.541 0 40 KJAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)Nc1ccc(Cl)cc1C(F)(F)F 103079984 RFACJTSEXVJKKE-UHFFFAOYSA-N 599.990 4.804 0 40 KJAB O=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1ccc(I)cc1 105046402 HNUOKOILMUEKRS-UHFFFAOYSA-N 516.158 4.835 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C 222705432 RTKALBKTXHNHIP-FQEVSTJZSA-N 522.111 4.527 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 222775950 BYPXESIFVLOAIS-MUUNZHRXSA-N 611.736 4.513 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 223335651 XUQLUAYRRZWTDI-QDPGVEIFSA-N 600.181 4.978 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 223392603 KGLJIOUPTUJUBT-INIZCTEOSA-N 548.920 4.746 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 223554453 XJWHSKNPUWGCFN-OAQYLSRUSA-N 561.626 4.763 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223609449 VEBPKTHZCFPWEN-MHZLTWQESA-N 671.813 4.647 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)c2ccccc2)cc1 223764615 INUWKDXJBALSDO-VWLOTQADSA-N 547.721 4.975 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 223782751 ZPZMWMHRJOBKOM-QFIPXVFZSA-N 542.101 4.787 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 223933853 WTONRDYQKXHUIF-MRXNPFEDSA-N 560.931 4.743 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 224424944 GDHLGYWFSLDFPX-QHCPKHFHSA-N 558.503 4.765 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224440419 MVXIYUMVGZYFQR-MHZLTWQESA-N 658.615 4.890 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 224658606 SUMATMWMXNFGPS-GOSISDBHSA-N 574.065 4.991 0 40 KJAB COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 224785484 PTGLPZJJDCKRIH-MUUNZHRXSA-N 504.627 4.556 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224785907 GWUSGEXXUZWJBN-OAQYLSRUSA-N 592.158 4.524 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 224817193 QUMDYBMZEXSFMB-JOCHJYFZSA-N 572.127 4.878 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224882841 VTDBSIGVWIAKCT-MHZLTWQESA-N 569.699 4.609 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 224954410 PINFZBGJNSPSMT-QHCPKHFHSA-N 576.081 4.747 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 224968400 HKEXFBXASJJOEM-RUZDIDTESA-N 536.138 4.508 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 225021503 URICOXRKAXRLPU-JWQCQUIFSA-N 535.710 4.831 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 225213939 MDVSEPFOUIXXSI-XMMPIXPASA-N 536.138 4.737 0 40 KJAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 225437088 GHDVJUXDCGXTCZ-SSEXGKCCSA-N 579.763 4.965 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 225597187 DDEHGAPBGPHOIU-CJFMBICVSA-N 544.117 4.981 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 225609036 DYGGAFIBZSRLSG-VWLOTQADSA-N 606.970 4.563 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 225644434 WQSOPBBOEFZNQD-GDLZYMKVSA-N 576.118 4.921 0 40 KJAB 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Cc1ccccc1CN(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)S(=O)(=O)c1ccc(Cl)cc1 409065473 SNWCAZCOSXBZMD-UHFFFAOYSA-N 532.493 4.842 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OC(C)C)cc4C)o3)c(=O)n2[C@H]1c1cccc(OC)c1 409115681 NJOWDQHNWMGPMN-HRIDGTDGSA-N 600.693 4.941 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I 409228611 ZYCFHZXVMRXDKC-CXUHLZMHSA-N 652.610 4.588 0 40 KJAB C[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc(Br)cc2F)n1C 409360600 ORZXLODQSILJEV-NSHDSACASA-N 526.819 4.592 0 40 KJAB O=C(O[C@H](C(=O)Nc1ccccc1F)[C@@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccccc1Cl 409381821 NUZWGTNBKZZXSF-VQTJNVASSA-N 520.296 4.607 0 40 KJAB COc1cc([C@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4c3c2cn4CCC(C)C)cc(OC)c1OC 524729447 UMIDTKBQOASOFM-RUZDIDTESA-N 503.599 4.913 0 40 KJAB biogenic CCCCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cc(F)ccc3F)CCO2)C1=O 643555628 CRODPGBLNKFNGQ-NDEPHWFRSA-N 500.586 4.610 0 40 KJAB CC(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)Cn2cc(C)cn2)Cc2cc(-c3cccnc3)ccc21 643565479 GWCGJMWYSBALNN-UHFFFAOYSA-N 536.680 4.541 0 40 KJAB CCN1CCCCCCCCO[C@@H]2CN(C(=O)COc3ccccc3OC)C[C@H]2Oc2ccccc2C1=O 643582028 IFZBDUVITDSCBS-VSGBNLITSA-N 524.658 4.565 0 40 KJAB COc1ccc(N2C(=O)[C@H](CC(=O)Nc3cccc(OC)c3)N(Nc3ncc(Cl)cc3Cl)C2=S)cc1 720304 XBGBIQQXWJUSPE-FQEVSTJZSA-N 546.436 4.764 0 40 KJAB CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1cccnc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 1375526 STCKINAGZGEBPV-HHHXNRCGSA-N 507.642 4.923 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 1375631 YMKQTRZDDKGKAM-SANMLTNESA-N 512.614 4.935 0 40 KJAB O=C(OC[C@@H]1[C@@H](COC(=O)c2ccc(Br)o2)C1(Cl)Cl)c1ccc(Br)o1 1462596 YABIOSTVNKSLIV-HTQZYQBOSA-N 516.953 4.831 0 40 KJAB CCOC(=O)c1ccc(CNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)cc1 1471210 CGBBQMXKHBZGJL-UHFFFAOYSA-N 519.648 4.521 0 40 KJAB CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2n1 1826804 MNZMKFWJFSBOID-IWIPYMOSSA-N 540.004 4.797 0 40 KJAB Cc1cc(OCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)O)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 2119949 TWOWGBQVULIYBL-QHCPKHFHSA-N 519.981 4.845 0 40 KJAB biogenic Cc1cccc(-n2c(=O)c3c4c(sc3n3c(SCC(=O)Nc5ccccc5)nnc23)COC(C)(C)C4)c1 2341398 MNYHKRGNWXUOQV-UHFFFAOYSA-N 531.663 4.985 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4)c4ccccc34)c(=O)n2[C@H]1c1cccs1 2365090 YNBKDJGZCSLKIW-BIWBSIMWSA-N 539.682 4.863 0 40 KJAB O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O)NCc1ccc2c(c1)OCO2 2968643 WMMDACFHQLROGF-OAQYLSRUSA-N 533.009 4.667 0 40 KJAB CCc1cc2c(C)cc(=O)oc2cc1OC(=O)[C@@H](Cc1cc2ccccc2[nH]1)NS(=O)(=O)c1ccc(C)cc1 3189181 KVPQVURGUCDSBL-AREMUKBSSA-N 544.629 4.949 0 40 KJAB FC(F)(F)C(Oc1nc(N2CCCCC2)nc(N2CCN(c3cccc(Cl)c3)CC2)n1)C(F)(F)F 8426145 HEOYKBDPDBYELP-UHFFFAOYSA-N 524.897 4.714 0 40 KJAB COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)CN3C[C@@H](c4ccccc4)NC3=S)CCSCC2)cc1 8748415 ATONJAUAXXLICM-MHZLTWQESA-N 574.772 4.860 0 40 KJAB COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1 9309345 GDGYKOGBDBCDJF-UHFFFAOYSA-N 504.568 4.623 0 40 KJAB 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CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408773945 KFVCBKSOUWPHGA-QFDNUGPTSA-N 651.510 4.771 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1I 408821378 GWSPZLUTQGRJCK-QTQKINJDSA-N 816.452 4.737 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(Cl)cc1 408832288 XTTHSCLJEOBLIA-JYWRCUDFSA-N 631.854 4.774 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(s/c(=C\c3ccccc3OC(C)C)c2=O)=N1 408922484 FAPUFKNPVUFEEG-ZDQFFALBSA-N 515.660 4.723 0 40 KJAB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(I)cc4)c(=O)n32)cc1 408927809 YAUYKUDKXMJEQI-VLOXRPPESA-N 590.508 4.513 0 40 KJAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)C1=O 409012198 JOASFOMHFSRLGC-RVZJCZPVSA-N 533.002 4.662 0 40 KJAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc(F)c1 409017751 PDBWECFFCSHJMC-WSDLNYQXSA-N 615.399 4.858 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OC)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409091366 PSWCYNXWDIDUMY-KMBIYUNPSA-N 593.499 4.731 0 40 KJAB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C3/C(=O)N(Cc4ccccc4)c4ccccc43)c(=O)n21 409112199 BUQXNHHSRYNHBX-DFXXOVSGSA-N 658.574 4.875 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409194811 MYACALNBQSFJIU-ZMOGYAJESA-N 540.638 4.955 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1OCC(=O)Nc1ccccc1C 409206867 QRGZHQRFVUPHIH-QRVIBDJDSA-N 526.611 4.647 0 40 KJAB O=C(COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1Br)Nc1ccccc1 409235560 CGHFRGAIWSNYOJ-KGENOOAVSA-N 506.356 4.560 0 40 KJAB COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(I)cc3C(C)C)n2C)cc1 409348392 PBPLIYULLXZZLF-UHFFFAOYSA-N 552.438 4.862 0 40 KJAB COC(=O)C[C@@H](c1ccc(Br)s1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O 524729853 LWMUEZKDNZCONT-LFPIHBKWSA-N 548.411 4.848 0 40 KJAB biogenic COc1cc(CN2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OCCCn1cccn1 585275023 UCIGKAQVEWIZIC-MHZLTWQESA-N 500.039 4.729 0 40 KJAB O=C(NCCc1nccs1)c1ccc2c(c1)CNCCCCCCCN2C(=O)COc1ccccc1 643583635 GOYRHNHDWGDJGX-UHFFFAOYSA-N 506.672 4.581 0 40 KJAB COC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc(C(=O)Nc2cc(C)cc(C)c2)c1C 871270 CHIBXIWPITUJBI-UHFFFAOYSA-N 512.584 4.990 0 40 KJAB CC[C@H](C(=O)NCc1ccc(F)cc1)N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1 888000 ZPNIWBVMLOUDOU-HSZRJFAPSA-N 541.414 4.914 0 40 KJAB Nc1c(C(=O)NC2CCCCC2)nsc1C(=O)N(CC(=O)NC1CCCCC1)c1ccc(F)c(Cl)c1 906664 DELPTKCBHUEULO-UHFFFAOYSA-N 536.073 4.676 0 40 KJAB COc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)Nc2ccc(OC)cc2OC)cc1 925245 MXWIBNSLEWCZTD-UHFFFAOYSA-N 523.590 4.775 0 40 KJAB COc1ccc(CN(Cc2cccnc2)[C@H](c2cc3cc(OC)ccc3[nH]c2=O)c2nnnn2CCc2ccccc2)cc1 1382205 FFFPWXRZYHAIBK-JGCGQSQUSA-N 587.684 4.961 0 40 KJAB COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC(=O)N2c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 1415129 QFELKFZNAXZXQK-SANMLTNESA-N 551.646 4.648 0 40 KJAB CCCCCOC(=O)CN1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 2068196 ISTYVOLFMOIYRS-AGYDLCDTSA-N 561.270 4.625 0 40 KJAB CCOC(=O)COc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1ccccc1Cl)C(C(=O)OCC)=C(C)N=2 2076234 GZWSQFSLLGTKBQ-NKYAOSOXSA-N 591.085 4.547 0 40 KJAB CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C 2091603 CJNMQGRTENFCQH-XMMPIXPASA-N 521.591 4.748 0 40 KJAB biogenic C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 2646219 NTMOFXJBQKMUQF-HNNXBMFYSA-N 543.801 4.634 0 40 KJAB COc1cccc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nc3sc4c(c3c2=O)CCCCC4)c1 2655502 GSFZUALUMWYHLS-UHFFFAOYSA-N 534.663 4.554 0 40 KJAB Cc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)Nc4ccc(C(=O)O)cc4)S3)[C@@H](c3ccccc3)C2)cc1 9597282 FOKPEFDCZSHNFV-DNQXCXABSA-N 512.591 4.871 0 40 KJAB CCN1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1ccc(OC)cc1OC 12635716 ZDHAFYJROQOBGD-JOCHJYFZSA-N 508.688 4.845 0 40 KJAB CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCc1ccccc1Cl 13576834 JFTTWWYIRXDOQS-NHKZQCCDSA-N 500.064 4.536 0 40 KJAB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1 16033505 BJCWPAGBQNKERY-HFLBTKGNSA-N 506.558 4.627 0 40 KJAB COc1ccc(Cl)cc1NC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1)S(C)(=O)=O 22253545 SHJIUQOASSWGGW-UHFFFAOYSA-N 504.992 4.584 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 22836642 WTAIGCVLFXPDBW-OXIKZWMZSA-N 512.631 4.960 0 40 KJAB O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1ccccc1Br 32116532 FMZINUIQWGZASJ-UHFFFAOYSA-N 509.017 4.807 0 40 KJAB COc1ccc(C(=O)CSc2nc3cc(C(=O)NCc4ccco4)ccc3c(=O)n2CCC(C)C)cc1 32944622 CTLFUCQWECSXSZ-UHFFFAOYSA-N 519.623 4.949 0 40 KJAB COC(=O)[C@@H](CSc1cc(NC(C)=O)ccc1OCc1ccccc1)NC(=O)OCc1ccccc1 33374950 PTKFYPRDXJFAKO-HSZRJFAPSA-N 508.596 4.784 0 40 KJAB in-vitro CC[C@@H](c1nnnn1C[C@H]1CCCO1)N(Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 33937044 FKSOKZAAMMWVOU-BVAGGSTKSA-N 504.610 4.603 0 40 KJAB Cc1ccc(OCC(=O)Nc2cc(-c3ccc(OC(C)C)c(C)c3)nn2[C@H]2CCS(=O)(=O)C2)cc1C 41156037 SVJQZVABAIDCMC-QFIPXVFZSA-N 511.644 4.640 0 40 KJAB CCOc1ccc(N(CC(=O)N[C@H](CC)c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 59852486 PICYTFQYPKLPHV-RUZDIDTESA-N 542.654 4.574 0 40 KJAB Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1)S(C)(=O)=O 59886707 MZMQRINSQWGZET-UHFFFAOYSA-N 556.493 4.816 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1 59928526 ZPYBLULWVDKWKI-UHFFFAOYSA-N 562.519 4.996 0 40 KJAB C[C@]12C(=O)N(c3cccc(C(=O)NC4CCN(Cc5ccccc5)CC4)c3)C(=O)N1CCc1c2[nH]c2ccccc12 70687714 AMIBEVVVRJNAST-XIFFEERXSA-N 547.659 4.802 0 40 KJAB biogenic Cc1ccc(-n2c(=O)c3c4c(sc3n3c(S[C@@H](C)C(=O)N5CCCCC5)nnc23)CO[C@H](C(C)C)C4)cc1 100059334 JLKPDKXSKORKKC-RXVVDRJESA-N 551.738 4.994 0 40 KJAB O=C(CSc1nc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2s1)NCCOc1ccc(Cl)cc1 100100675 ALMRPSKTNZHNDO-MWWDPVSPSA-N 540.066 4.549 0 40 KJAB O=C1C[C@@H](N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(I)cc1 100161514 IFBGLGWKKHMAKD-AOYPEHQESA-N 585.873 4.984 0 40 KJAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C)o2)n2c(s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c2=O)=N1 101610939 OWNSDQOMRXUETE-HRIDGTDGSA-N 563.683 4.886 0 40 KJAB COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3cc(S(=O)(=O)Nc4ccccc4OC)ccc3C)c2)cc1 102974729 KXUHUEAHADVCIL-UHFFFAOYSA-N 581.672 4.866 0 40 KJAB Cc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@@H](C(C)(C)C)C3)cc1S(=O)(=O)N1CCOCC1 103087603 KNGUJRVTKNUIFJ-OAQYLSRUSA-N 579.719 4.511 0 40 KJAB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Br)ccc5O)c(=O)n42)c2ccccc2CC3)cc1 104656939 JAKVANNHSWXMGR-LMSRTUJASA-N 545.458 4.795 0 40 KJAB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)cc1Cl 105317920 AZIQTLWRQBOHPT-UHFFFAOYSA-N 533.437 4.684 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Cl)cc4Cl)c(=O)n32)cc1 109497405 QPSROOKUWMCOPZ-NWKGEQBZSA-N 531.461 4.892 0 40 KJAB O=C1[C@H]2[C@@H](c3ccc(F)cc3)N3[C@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@@H]4[C@H](c4ccc(F)cc4)N3[C@@H]2C(=O)N1c1ccc(F)cc1 150385349 YLCDUXHGFPQEIJ-SQFXDPOMSA-N 626.566 4.688 0 40 KJAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccc(S(=O)(=O)NCc2cccnc2)cc1 150431232 WABISVFSXKJNDU-WJOKGBTCSA-N 643.795 4.590 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCCOc4ccccc4OC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 150442872 CKDBBLWICCWLRM-DMFZDPSVSA-N 644.746 4.672 0 40 KJAB CC[C@H](Sc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCCc1ccc(OC)c(OC)c1)OCO3)C(=O)Nc1ccccc1OC 150445031 CIQHPFJSVADSOJ-PMERELPUSA-N 662.765 4.800 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 222575179 VPTASGQVADKXKW-ABYGYWHVSA-N 549.737 4.955 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 222768990 CVAUIUVSCNIDBI-HXUWFJFHSA-N 548.920 4.745 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 222784485 MXGFSLVKXQKDDG-HHHXNRCGSA-N 574.118 4.512 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 222858228 VEJNKXFPMSWMHC-FQEVSTJZSA-N 552.137 4.617 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 223024411 KULYXORQOLSRMC-VWLOTQADSA-N 542.101 4.706 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223185014 URSUCDBAJHYILT-MUUNZHRXSA-N 565.736 4.921 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@@H](C)c3cc(C(C)C)c(OC)cc3C)Oc3ccccc32)cc1 223348138 ZYSLDSAICIJFAN-MMTVBGGISA-N 538.666 4.969 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 223396580 SXCVWNLQHGZMOJ-IBGZPJMESA-N 542.529 4.710 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223681916 WETXEZVCUURXKX-NDEPHWFRSA-N 611.736 4.824 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223809323 VJULIAJJTDKCLO-JIPXPUAJSA-N 618.569 4.909 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(Br)c(C)c1 223919263 LSTSLESTSBXZNY-INIZCTEOSA-N 526.269 4.842 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 224006823 NACDMLWHXVZDOJ-HSZRJFAPSA-N 592.080 4.857 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)c2ccc(C)cc2)cc1 224067906 NADDXCYFDHCPJO-QFIPXVFZSA-N 569.699 4.670 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 224081379 NGJOJQRJIOHXCQ-MHZLTWQESA-N 600.579 4.690 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)cc1 224084290 NTSLZADRWHIJPO-VWLOTQADSA-N 565.736 4.779 0 40 KJAB O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224362461 RGIVXHFQKHHOIM-UHFFFAOYSA-N 660.136 4.924 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224381282 ASAVCKQPMNHWNN-UODIDJSMSA-N 550.099 4.536 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224419001 RRBBJZUHHLLDJB-SFHVURJKSA-N 560.519 4.868 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 224510399 YNIIVFOOLBTVII-DEOSSOPVSA-N 550.508 4.711 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](CC)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 224743979 HJYVRTZGXDGODG-MHZLTWQESA-N 583.726 4.999 0 40 KJAB COc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224783801 VVOOEKOOIVCEPL-UHFFFAOYSA-N 542.101 4.749 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224830438 HNYKBIUVMXCNRP-NDEPHWFRSA-N 570.155 4.888 0 40 KJAB COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(NC(=O)COc2ccccc2)cc1 225068690 FPICYJBXZIPTRF-VSGBNLITSA-N 527.650 4.724 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 225111175 ZBWZQVGWIMSVMG-LJAQVGFWSA-N 642.616 4.923 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 225172857 JGGIFFVLCNAZHA-HSZRJFAPSA-N 569.699 4.753 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 225425303 TYMHNPUWKMHPFM-IZZNHLLZSA-N 549.737 4.873 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225533757 KCIZHRFVBWRRCB-HKBQPEDESA-N 629.779 4.902 0 40 KJAB CNc1nc(-c2ccc(OC)c(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cc(Cl)ccc4OC)C3)c2)cs1 226049733 NNXWFRNZJORDGE-MRXNPFEDSA-N 551.090 4.562 0 40 KJAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(C)cc(Br)cc2C)c(Cl)c1 226081151 DJGQODWVRWUECB-UHFFFAOYSA-N 503.846 4.815 0 40 KJAB CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]2C1 257234523 GTXJUVINRVTTEQ-QAVUKVGWSA-N 544.689 4.777 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl 260745330 BQJFBFILAAFLMQ-OAHLLOKOSA-N 578.946 4.753 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC(C)(C)C)c2ccc(C)cc2)cc1 260817799 WLGNIQJVAKCLBV-HSZRJFAPSA-N 581.735 4.540 0 40 KJAB 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O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)Nc1ccc(Oc2ccccc2)cc1 408686799 SZINSAGKVQDPTQ-CPAHJZNRSA-N 510.546 4.810 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(C)cc4)c3)cc2)c(OC)c1 408711391 RCXMFPFIOOUEOI-UHFFFAOYSA-N 581.672 4.866 0 40 KJAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 408712420 ZSXNBPZJOIVDFQ-UHFFFAOYSA-N 528.439 4.726 0 40 KJAB CCCOc1ccccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(F)cc4)cc3)c(=O)n21 409014689 NTDGDDGSXXYRKQ-GJKZIJEQSA-N 616.711 4.932 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c2=O)=N1 409021799 ZARDUNVUFXQEDC-AXQHRLKKSA-N 570.715 4.693 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OC)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409101897 ZLOFFBOVZKHKTA-DBLMTGOPSA-N 576.118 4.927 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)c2ccc(C)cc2)cc1 409127849 KCLUFLMJEOMQHW-UHFFFAOYSA-N 547.633 4.751 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1OCc1ccccc1 409201253 OXTBTMWAPZLDQF-ZXVVBBHZSA-N 543.645 4.659 0 40 KJAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(I)c1OCc1ccccc1 409209344 GEAREDZNJHKIRO-CIAFOILYSA-N 601.372 4.549 0 40 KJAB CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 409361172 QPDIYPVJHHRVRY-UHFFFAOYSA-N 557.101 4.673 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(C)cc1 409392582 RRCPDAWYQBNBQH-UHFFFAOYSA-N 528.074 4.510 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4ccc5c(c4)OCO5)c(Br)c3)C2=O)o1 409399639 KIWBMZDXMIIRCZ-LSCVHKIXSA-N 589.782 4.883 0 40 KJAB O=C(OCc1ccccc1)N1C[C@@H](O)[C@H](N(CCc2c[nH]c3ccccc23)Cc2cc(F)ccc2F)C1 585260823 KTGSUUNUANRWOW-VSGBNLITSA-N 505.565 4.873 0 40 KJAB COc1cc(CN2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OCCn1ccnc1 585270048 BHHZKYHABWQULV-HHHXNRCGSA-N 500.039 4.647 0 40 KJAB COCC(=O)Oc1cccc2ccc(CN3CCC(N4CCN(c5ncc(C(F)(F)F)cc5Cl)CC4)CC3)nc12 618256186 FQHFYSHMNHKRQA-UHFFFAOYSA-N 578.035 4.640 0 40 KJAB CN1CCCCCN(S(=O)(=O)c2ccc(F)c(F)c2)[C@H](Cc2ccccc2)COc2ccccc2C1=O 643561577 SPWHHRALOWDYHE-JOCHJYFZSA-N 528.621 4.902 0 40 KJAB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 660599 DEJYDRRYRNWIJG-UHFFFAOYSA-N 562.113 4.733 0 40 KJAB CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1 901433 BJFUDSFXHAIYIL-MHZLTWQESA-N 515.639 4.919 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)c(C)c1 923387 AVKHHPCOXKFGIZ-UHFFFAOYSA-N 504.608 4.616 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 2059962 DRPVIOZNYZPZFC-LMSRTUJASA-N 563.031 4.637 0 40 KJAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2207060 XPQARFFLJJCQBI-LJQANCHMSA-N 515.341 4.977 0 40 KJAB O=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccs1)NC(c1ccccc1)c1ccccc1 3273690 VUINFZRQYCCKCG-UHFFFAOYSA-N 506.605 4.612 0 40 KJAB Cc1ccc(Cl)cc1NC(=O)CN(CC(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 3305751 CXJNTLBSDRKRDM-UHFFFAOYSA-N 520.438 4.878 0 40 KJAB Cn1c(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)nnc1-c1ccc(NC(=O)c2ccc(F)cc2)cc1 4125005 ZEJNYABTVJUHIS-UHFFFAOYSA-N 565.074 4.968 0 40 KJAB C[C@H](Sc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 6147892 NVPHKAQCAVQKHS-HNNXBMFYSA-N 534.585 4.870 0 40 KJAB COc1ccc(CN(C(=O)CN2C(=O)C(=O)c3ccccc32)[C@@H](C(=O)Nc2ccc(OC)cc2)c2ccc(OC)c(OC)c2)cc1 8712793 NNCXMIQTASBYGP-JGCGQSQUSA-N 623.662 4.659 0 40 KJAB CCOC(=O)[C@@H](C)Sc1nnc(CNC(=O)c2ccc(OC)cc2)n1-c1ccc(Cl)c(Cl)c1 9390747 RMLDAEBHHUJMPN-CYBMUJFWSA-N 509.415 4.556 0 40 KJAB O=C(NCCSCc1ccccc1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 10693248 STGNJLWHTXOMAT-UHFFFAOYSA-N 501.501 4.585 0 40 KJAB C[C@H]1CCc2sc(C(=O)OCC(=O)Nc3cc(S(=O)(=O)N4CCCCCC4)ccc3Cl)cc2C1 12530590 JERNBNHRCUWGAU-INIZCTEOSA-N 525.092 4.887 0 40 KJAB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1cc(Cl)ccc1Cl 12856011 NFOFXMRPIHVLOJ-UHFFFAOYSA-N 503.411 4.676 0 40 KJAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C 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CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 223730488 MQJNRFNDOAJYBV-QFIPXVFZSA-N 542.101 4.706 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 223808274 VYAYIUUTUWQLKQ-VWLOTQADSA-N 552.137 4.619 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 223907119 BUHYVGFMHMXKCB-LJQANCHMSA-N 542.529 4.710 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224250774 ZJLYTQWNZJOXLM-AREMUKBSSA-N 602.153 4.804 0 40 KJAB COC(=O)c1cc(NC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)ccc1Cl 224528130 AGKKMRSFADMUPS-UHFFFAOYSA-N 501.004 4.962 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 224563070 VGNSCQCEYFZEES-NDEPHWFRSA-N 565.736 4.759 0 40 KJAB COc1cc2c(cc1OC)N(Cc1ccccc1F)S(=O)(=O)C(C(=O)NC[C@@H](C)c1ccccc1)=C2C 224593895 RPHUSAXVFCAUCN-GOSISDBHSA-N 524.614 4.844 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 224886599 KCDMYOJLSPIZNT-QGZVFWFLSA-N 558.503 4.765 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 224892953 DCDKIRQBQZMPPT-SSEXGKCCSA-N 595.762 4.787 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 224898787 SPMHNPFLGDKBSQ-INIZCTEOSA-N 593.371 4.774 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c1ccccc1 225019308 FGMVRXJNCFVKRN-DQEYMECFSA-N 565.736 4.921 0 40 KJAB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 225068863 PZKQNXUJCLZCBS-AREMUKBSSA-N 614.551 4.837 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 225109402 CODGBRAFGOHNTG-HHHXNRCGSA-N 527.731 4.634 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 225141309 GTUGFXAPOAOBSO-HHHXNRCGSA-N 553.700 4.971 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 225210818 CRRJINPFIDDNHV-FQEVSTJZSA-N 566.562 4.672 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 225243454 KLMYGFQQIKKVIG-SFHVURJKSA-N 572.953 4.511 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cn2)ccc1OC 225304496 XPUSPZVJRXSWLC-IZZNHLLZSA-N 549.056 4.691 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 225316766 DWRRTHIPBNTKMQ-QHCPKHFHSA-N 542.529 4.710 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 225343413 LODUCJSTTROVNG-QHCPKHFHSA-N 542.529 4.710 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 225393366 IKFABMWCTMTQEF-QFIPXVFZSA-N 542.101 4.624 0 40 KJAB Cc1cccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccc(Cl)cc3)n2)c1 225794700 IWKCMGGLBWNNII-UHFFFAOYSA-N 527.027 4.602 0 40 KJAB CCN(CC(=O)NCCCNc1ccnc2cc(Cl)ccc12)S(=O)(=O)c1cc(Cl)ccc1Cl 226055300 JPWUTBIWLZCWPK-UHFFFAOYSA-N 529.877 4.824 0 40 KJAB CN(c1ccc(CC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1)S(=O)(=O)c1ccc(Cl)cc1 260822924 CJCQZRMYVROGBO-GDLZYMKVSA-N 590.101 4.818 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 260902528 DWPYSYHDGSQIGH-QRQCRPRQSA-N 564.482 4.760 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 261105337 WZYQOIJTGUXWKD-LXFBAYGMSA-N 672.642 4.931 0 40 KJAB COC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)C1=O 408548921 NKSQEKUWFUMPGC-OMCISZLKSA-N 687.055 4.847 0 40 KJAB COC(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(OC)c(OC)c3)cc(C(F)(F)F)n2)c1 408549533 ZOSPDZJLZVJZPB-UHFFFAOYSA-N 507.490 4.697 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(C)c3C)CC2)Cc2ccccc2)c(C)c1 408618828 GFGOCITVJXCISQ-UHFFFAOYSA-N 519.711 4.768 0 40 KJAB CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)cc1 408651902 BQIQWWSRPOVEPC-INIZCTEOSA-N 551.821 4.594 0 40 KJAB CCCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)cc2)cc1 408669660 XYVWTRNKCHWVFX-UHFFFAOYSA-N 519.392 4.697 0 40 KJAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1OC 408680163 OSEXRSBKVOVMSF-UHFFFAOYSA-N 600.137 4.510 0 40 KJAB Cc1cc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)c(C)cc1Br 408688340 QPBLRYKCZQEHJF-OALUTQOASA-N 513.388 4.541 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 408938829 RRIQWJNAMODHNB-UHFFFAOYSA-N 521.422 5.000 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 408984037 HTYXQJIAAHDHOS-LMTOTAIGSA-N 652.510 4.557 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(Br)c1OCC 409019739 KJIUXTGZEOGKDL-CJLVFECKSA-N 574.497 4.632 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3ccc(OCC(=O)O)c(Br)c3)c2=O)=N1 409023370 LJRHNPOPKRFICM-GOWBIRFASA-N 694.398 4.576 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(I)c(O)c(I)c4)c(=O)n32)cc1 409032403 JGRVSGBDQMARLC-FNUHDPNESA-N 730.362 4.500 0 40 KJAB O=C(COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1Br)Nc1ccccc1 409083513 BFHGOAWMQJEGEB-FYJGNVAPSA-N 524.346 4.699 0 40 KJAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Br)c1OCc1cccc(C(=O)O)c1 409104873 KMYJQAYEOXNYHA-WSDLNYQXSA-N 594.418 4.575 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 409107364 REDQGEHVVKYNCA-UFFVCSGVSA-N 577.453 4.772 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c2=O)=N1 409114021 PINNYEVYXMRGCT-FOSWXRMZSA-N 550.080 4.678 0 40 KJAB CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1Cl 409172530 JZVFXFRWAFTRBD-MFOYZWKCSA-N 527.357 4.749 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC 409174672 WWKUTKJUUGZSFM-VVGPUZASSA-N 702.627 4.708 0 40 KJAB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)C1=O 409226949 OBHZUBANMBROBV-GZTJUZNOSA-N 541.183 4.935 0 40 KJAB COc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(Br)cc2Cl)c1 409388238 VBGYVLFZOAVCBQ-VXKWHMMOSA-N 606.809 4.594 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(Cc4ccc(Cl)cc4)c4ccccc43)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409389604 QPMKJXQJZRABSC-HNWSYWITSA-N 657.192 4.691 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OC(C)(C)C)c(Br)c3)C2=O)o1 409399666 KOFUNQUDZJFEGC-DHDCSXOGSA-N 556.207 4.861 0 40 KJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2Cl)c1C 409410952 BEIKVYDNTQLYJZ-UHFFFAOYSA-N 548.086 4.794 0 40 KJAB CC(=O)N1CC2=C(C1=O)[C@@H](c1cc3cccc4c3n(c1=O)CC4)c1cn(CCC(C)C)c3cccc(c13)N2 524730741 VTYQCWLOLZSTOK-SANMLTNESA-N 506.606 4.759 0 40 KJAB biogenic COc1cc(CN2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OCCn1cc(C)cn1 585272360 SKZNWIOTTWYJFV-MHZLTWQESA-N 500.039 4.647 0 40 KJAB O=C(CC1CCN(c2cccnn2)CC1)N1CCC2(CCCCOC[C@@H]3CCCN3C(=O)c3ccccc3OC2)CC1 643563948 MPYVQDKWJQWKIG-MHZLTWQESA-N 575.754 4.576 0 40 KJAB CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)C2(c3ccccc3F)CCCC2)CCCCOC[C@@H](O)[C@H]1O 643586345 OHKZWLBJJCXXAW-ATXOEVEQSA-N 630.773 4.710 0 40 KJAB COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C(=S)Nc2ccc(OC)cc2)cc1 891360 CVOVJVLDFWUWFC-UHFFFAOYSA-N 517.607 4.716 0 40 KJAB COc1cc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2cnccn2)c2ccc(Cl)cc2)cc(OC)c1OC 920780 LUAPTRHRDPWNSW-RUZDIDTESA-N 539.032 4.993 0 40 KJAB COc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1 925039 QCOALETUOCBVQX-UHFFFAOYSA-N 534.663 4.592 0 40 KJAB CCOC(=O)c1c(NC(=O)c2cc3cc(Br)ccc3oc2=O)sc(C(=O)OC(C)C)c1C 1783167 OXVWZQZTDZRWHA-UHFFFAOYSA-N 522.373 4.920 0 40 KJAB Cc1cc(Br)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)c(Br)c1 2383428 SEYPUWONUNVWGL-UHFFFAOYSA-N 531.661 4.877 0 40 KJAB CCc1ccc(NC(=O)[C@@H](CC)SC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4ccco4)C(=O)N23)cc1 2967917 AZFUPNOOJIQHLJ-BJKOFHAPSA-N 543.649 4.658 0 40 KJAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)N1CCN(c2ccc(F)cc2)CC1 3229584 FHXNBOHXCNYKEC-NTUHNPAUSA-N 510.569 4.812 0 40 KJAB Cc1ccc(Nc2nc(COC(=O)[C@H](C)NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cs2)cc1 3363913 CIMROWGJXHJVBD-ZDUSSCGKSA-N 500.429 4.912 0 40 KJAB COc1cccc(NC(=O)O[C@@H]2CC[C@@]3(C)[C@H](CC(=O)NCc4ccccc4)[C@H](O)CC[C@@H]3[C@]2(C)CO)c1 4236644 WDFBMKVELYCHPZ-AECPDVIXSA-N 524.658 4.505 0 40 KJAB biogenic,in-vitro CCOC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(OC)c(O)c2)cc1 6599834 NSBIKDQFCSSOHX-SSEXGKCCSA-N 585.661 4.546 0 40 KJAB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc(Cl)c(Cl)c1 8897802 NZJFDSCYRIMZTE-UHFFFAOYSA-N 503.411 4.676 0 40 KJAB CCCCCCNC(=O)c1cn(CC)c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)cc2c1=O 9060800 SHEFJMWMZDISEY-UHFFFAOYSA-N 502.631 4.528 0 40 KJAB CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2-c2ccc(Br)cc2)s1 11852293 MVPCYBKBIPJZQZ-UHFFFAOYSA-N 596.583 4.716 0 40 KJAB COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccccc2F)cc1 13028728 BTMRVRUVKKDXPC-NDEPHWFRSA-N 515.589 4.802 0 40 KJAB COc1cccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2c(C)cccc2C)c1OC 13029344 VRCIMIVSMJBART-HHHXNRCGSA-N 529.641 4.755 0 40 KJAB 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(=O)CCl 13783535 WOFMFGQZHJDGCX-ZPZHTWQZSA-N 521.437 4.869 0 40 KJAB in-vitro O=C(O)[C@H]1CCCC[C@@H]1C(=O)NC1CCC(CC2CCC(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)CC2)CC1 16137758 CBLZIJWPVLXHDA-ROBIXKKASA-N 518.695 4.509 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1 22233777 IITXLESQKXXOOV-UHFFFAOYSA-N 528.602 4.766 0 40 KJAB CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N12)C(=O)Nc1ccc2c(c1)OCO2 29749149 QTECREZKBOEWQV-LITSAYRRSA-N 638.750 4.653 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1 59888887 YTQHAWYWTVXCIM-UHFFFAOYSA-N 586.091 4.983 0 40 KJAB COc1ccc([C@@H](C)NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1OC 60016609 CLMLGDZPCKSTLQ-GOSISDBHSA-N 533.046 4.747 0 40 KJAB 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512.584 4.990 0 40 KJAB CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 13499641 BJOSLKZTPRAMLK-IZZNHLLZSA-N 500.647 4.854 0 40 KJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 13682700 PHBZYUGOSPXVRQ-INIZCTEOSA-N 526.486 4.702 0 40 KJAB CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 15880236 QYSFUJGMNNVWLA-UHFFFAOYSA-N 512.701 4.764 0 40 KJAB CSc1nc(NCc2cccnc2)c2sc3nc(N4CCOCC4)c4c(c3c2n1)CC(C)(C)OC4 19933605 APBSYGINLIKFAZ-UHFFFAOYSA-N 508.673 4.656 0 40 KJAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccc3-n3ccnc3C)cc2)cc1 20112115 IEGYXDBJNYREAT-UHFFFAOYSA-N 506.653 4.658 0 40 KJAB CCc1ccc(OCc2ccc(-c3nc4c5c(ncn4n3)Oc3n[nH]c(C)c3[C@@H]5c3cnn(C)c3)cc2)cc1 22843236 DCDSIABKDDXDRA-DEOSSOPVSA-N 518.581 4.984 0 40 KJAB COc1ccc(N(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1OC 59647273 GUOYQPRGJBVORR-UHFFFAOYSA-N 585.726 4.833 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 59852898 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C[C@H](Sc1ncccc1C(=O)O[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 195530223 VYFYCASABKWRPC-FMROFUNDSA-N 517.736 4.989 0 40 KJAB O=C(NCCSCc1c(F)cccc1Cl)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 216340160 ZZSMCMXHATTWDI-UHFFFAOYSA-N 563.942 4.833 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 222536194 KFCFMTUTPVECAS-HSZRJFAPSA-N 572.555 4.880 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 222610507 QCRAEHWOOBBPAU-NDEPHWFRSA-N 553.700 4.970 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)c(Br)c(C)c1 222871940 SXOSOZBGBATIBE-RUZDIDTESA-N 539.470 4.839 0 40 KJAB CCC1(CC)C[C@H](NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c2ccccc2O1 223023607 JKXXDTYYTXEOOG-KRWDZBQOSA-N 507.037 4.805 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 223126083 MEPXQXQODZNDBS-JOCHJYFZSA-N 536.138 4.837 0 40 KJAB 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CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 224217269 OZSJOAIJMJPXFJ-AREMUKBSSA-N 606.572 4.934 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 224226486 SSNOQELVVMWGMI-INIZCTEOSA-N 548.920 4.602 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 224304445 NUKOIMACHNZZDN-HHHXNRCGSA-N 574.118 4.720 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 224319951 DJZKTXBRTJBCJA-SANMLTNESA-N 564.148 4.761 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224333712 HUYRBXMOCQOQAA-RUZDIDTESA-N 648.178 4.513 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1C 224434805 QPOIYWRGPYSYTL-NDEPHWFRSA-N 567.727 4.763 0 40 KJAB CCOc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccc(C)c(C)c1 224625049 YDKNUQOGLWLIAO-UHFFFAOYSA-N 502.611 4.968 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 224834291 LQJVENFEDZOXQM-KRWDZBQOSA-N 558.503 4.765 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 224886955 GACUJWBKELNESQ-LJAQVGFWSA-N 583.726 4.918 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Br)s2)cc1 225205293 KQRDKTJEYQPVLM-VQTJNVASSA-N 503.447 4.668 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)N[C@@H](C)CC)c2ccc(C)cc2)cc1 225361666 QYKVBSRIDQPJCH-DQEYMECFSA-N 595.762 4.930 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 225377784 FCYAMVVPBUBLDP-NRFANRHFSA-N 578.946 4.755 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225652964 KYOOFMXHPFMKBC-NRFANRHFSA-N 602.551 4.595 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(I)cc1 225663205 SQPLPNOTCPQIEH-KKSFZXQISA-N 526.390 4.531 0 40 KJAB CCc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 225685829 TUVHFTNZFVGXRB-VWLOTQADSA-N 549.737 4.737 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2c3ccc(Br)cc3C[C@@H]2C)Cc2ccccc2)cc1OC 226010647 IYUHKGPYFSZIPM-SFHVURJKSA-N 559.482 4.635 0 40 KJAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(-c3csc(NC)n3)ccc2OC)C1 226050287 QKWDFDBVEZGNJY-QGZVFWFLSA-N 565.117 4.952 0 40 KJAB O=C1[C@@H]2N=NN(CC(=O)N3N=C(c4ccc5ccccc5c4)C[C@@H]3c3ccccc3)[C@H]2C(=O)N1c1ccccc1 227002320 OYFMNMRXCUEVHE-CRXYYGHGSA-N 528.572 4.511 0 40 KJAB COc1cccc(CN(CCc2ccccc2)C(=O)COc2c(Br)cccc2C(=O)O)c1OC 257217181 CXWGQNITVHUSPS-UHFFFAOYSA-N 528.399 4.815 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)c2ccccc2F)cc1 260749127 CQPIIZFJQXLCOB-OAQYLSRUSA-N 557.663 4.801 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC)S(=O)(=O)c1ccc(Cl)cc1 260755621 IEJNNBIJFIPCDN-LJQANCHMSA-N 578.518 4.751 0 40 KJAB 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CCOC(=O)COc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1Cl 408828112 LODIKAQPKIEYGP-QTQKINJDSA-N 633.550 4.834 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4ccc(OC)cc4)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408852623 LZVKOIVABQTXLQ-WWWKDLBZSA-N 612.704 4.813 0 40 KJAB COc1cc(OC)c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1Br 408919925 FHLKDCLWAKJMHZ-IZBTWGKQSA-N 603.560 4.688 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cccs2)n2c(s/c(=C\c3cc(Cl)cc(I)c3O)c2=O)=N1 408928313 ZSGSCXAXVRSQGF-WSDUQJHMSA-N 614.914 4.604 0 40 KJAB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(OC)c3)c(=O)n21 408959134 YLWPCOJDMHZPPX-GSOQPGDSSA-N 713.388 4.580 0 40 KJAB CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4)c4ccccc34)c(=O)n21 409013620 LAFFFVNUSLFNIN-FATJQOLTSA-N 637.758 4.835 0 40 KJAB COc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)cc1 409121882 VMNNAAOZPBQORR-UHFFFAOYSA-N 523.655 4.532 0 40 KJAB COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1OC 409218428 ITHLQJQOSMBART-MYYYXRDXSA-N 532.574 4.641 0 40 KJAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2nccs2)n1C 409347990 PLIFJRGGRPGCOP-OAHLLOKOSA-N 513.476 4.826 0 40 KJAB CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 409361889 QZVAJNOEDGYVKL-UHFFFAOYSA-N 528.849 4.928 0 40 KJAB COC(=O)c1cccc(-c2ccc(/C=C3\SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)o2)c1C 409383397 XKZGDWVUYLKJEB-OYKKKHCWSA-N 516.575 4.663 0 40 KJAB Cc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)Nc2cccc3ccccc23)c1 409388848 WSQIDEYIBAIYKY-CLJLJLNGSA-N 511.530 4.931 0 40 KJAB CC(C)COc1ccc(C(=O)N2CCC3(CCCCOCCNC(=O)c4ccccc4OC3)CC2)cc1 643564028 WZUMYGQKOSKICG-UHFFFAOYSA-N 508.659 4.953 0 40 KJAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)NCc3ccc(Oc4cccnc4)cc3)ccc21 643584519 PLCZQKQQUPBNBK-UHFFFAOYSA-N 516.642 4.837 0 40 KJAB O=c1oc2ccccc2c(O)c1C(c1cn(-c2ccc(Cl)cc2)nn1)c1c(O)c2ccccc2oc1=O 2298284717 WCCCRNLNGQIXLT-UHFFFAOYSA-N 513.893 4.725 0 40 KJAB COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2cnc3ccccc3c2)cc1O 906335 HKHXUMZSXWYQNU-JGCGQSQUSA-N 572.625 4.785 0 40 KJAB O=C(COC(=O)CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)Nc1ccccc1Cl 1917121 WQAPPOCGMSEIDS-UHFFFAOYSA-N 510.544 4.732 0 40 KJAB CCOc1ccc(NC(=O)CSc2nc3nc4c(cc3c(=O)n2-c2ccccc2)COC(C)(C)C4)cc1 2397193 JHVGKPOLTPLFMO-UHFFFAOYSA-N 516.623 4.762 0 40 KJAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 3229701 VKQIBWIJZMWSPX-UHFFFAOYSA-N 526.920 4.979 0 40 KJAB O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CO[C@@H]2[C@H](OC(=O)Nc3cccc4ccccc34)CO[C@H]12 4235417 YCKHFVKNEFEFME-DXBBTUNJSA-N 501.461 4.764 0 40 KJAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(COc4ccc(F)cc4F)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 8454499 XKSZFRZVIQHVCH-SZYVSPPHSA-N 606.647 4.673 0 40 KJAB CN(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)CCN1C(=O)S/C(=C\c2ccnc3ccccc23)C1=O 8766749 CGXYZVWOQUFUBI-BOYKQRMESA-N 544.658 4.939 0 40 KJAB 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4.888 0 40 KJAB CC[C@@H](Sc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccc(OC)cc1)C(=O)Nc1ccccc1OC 102756249 HKMLZUYXQRPRIY-MUUNZHRXSA-N 574.703 4.808 0 40 KJAB O=C(C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1 150380306 DVOVAXBJPRPUNC-ACHIHNKUSA-N 652.700 4.777 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 197963178 HDAOTCRXLMNVKS-UHFFFAOYSA-N 645.557 4.878 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCc1cccc2ccccc12 214310470 KSXPMYMIEDGPDV-YZSQISJMSA-N 532.618 4.713 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 222519764 UYAJWCJDCVKGLS-DEOSSOPVSA-N 600.927 4.938 0 40 KJAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21 222787364 JWMSHEGQLCJYDQ-YTTGMZPUSA-N 611.720 4.626 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 222806099 DSTQKISNGAQMDT-XMMPIXPASA-N 582.937 4.799 0 40 KJAB 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CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 223824224 XXZMUHKZALCXSU-FQEVSTJZSA-N 576.090 4.627 0 40 KJAB Cc1cc(C)cc(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 223861195 OYCRAQLNCMNKCS-QFIPXVFZSA-N 548.149 4.979 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 223864195 UOPKJSHPZBJLTM-FQEVSTJZSA-N 576.090 4.627 0 40 KJAB CN(C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 223943163 OASNFCNUOHTRMD-WDYNHAJCSA-N 524.694 4.952 0 40 KJAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCSCc2ccc(Cl)cc2)cc1OC 223958303 KTEXYQKUQNIQOL-QNGOZBTKSA-N 501.004 4.771 0 40 KJAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 224061791 VDQMQMOWYPPJOV-SANMLTNESA-N 529.747 4.616 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 224172094 JUUMNJLCYSUVAU-HHHXNRCGSA-N 586.154 4.589 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 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CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 223026517 KRODPTKTZAEIBY-VWLOTQADSA-N 572.127 4.714 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 223044034 KALVJHXNPOUWHL-JOCHJYFZSA-N 586.552 4.815 0 40 KJAB COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)[C@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1 223248243 USNGZFBHYZXIBX-MUUNZHRXSA-N 542.632 4.804 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 223295227 LUDDGHGYJQBCGM-OAQYLSRUSA-N 542.529 4.790 0 40 KJAB CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 223452770 SGOCHJYFHNFSJL-SSEXGKCCSA-N 565.711 4.839 0 40 KJAB COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)[C@@H](C(=O)NCCCOC(C)C)c2ccccc2)cc1 223532155 OGOIESYEXZSYND-WJOKGBTCSA-N 548.680 4.956 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223924343 MNRYGBOVQJLRBU-LJQANCHMSA-N 548.492 4.742 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224499264 ITXLDNGBDSWYIR-SANMLTNESA-N 600.579 4.770 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 224612594 BIXDWYJFXTVHHV-MUUNZHRXSA-N 595.762 4.787 0 40 KJAB O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)NCc1cccc(CN2CCOCC2)c1 224734993 PHLHDXMLWRLGOI-UHFFFAOYSA-N 571.699 4.823 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 224763309 JTQFUHPLRUGSBB-OAQYLSRUSA-N 560.091 4.926 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc2c(c1)OCO2 224929237 YCTBXBAXPDEJFB-MHZLTWQESA-N 612.148 4.534 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 224983038 LOASOTQDSBFHGI-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 224992109 OLBFLYNZQBILMM-JOCHJYFZSA-N 646.604 4.914 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 225168615 VWGPXRVQFOGMLG-SANMLTNESA-N 548.149 4.979 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1Cl 225239531 SXIHZQQOZJKQII-FQLXRVMXSA-N 597.185 4.638 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 225305574 CNLQIKJBIPFNPR-DLBZAZTESA-N 518.441 4.702 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 225316816 RZWWYIJKFXZIBP-HSZRJFAPSA-N 542.529 4.710 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 225376541 ZNIPACFEXFWYNR-PZJWPPBQSA-N 552.137 4.535 0 40 KJAB S=C(NCC1(c2ccc(Cl)cc2)CCOCC1)Nc1nc(Oc2ccccc2)cc(N2CCOCC2)n1 225995636 JSHCOYDDXWXKIB-UHFFFAOYSA-N 540.089 4.794 0 40 KJAB CCc1ccc([C@@H]2[C@H](C(=O)OCc3ccccc3)C(=O)C[C@](C)(O)[C@@H]2C(=O)OCc2ccccc2)cc1 253564361 GKIPAPMKVIHATA-IEVQEWPMSA-N 500.591 4.776 0 40 KJAB Cc1cc(OCC(=O)O)c([C@H]2C[C@@](C)(NC(=O)CCO)C[C@@H](c3cccc(Cl)c3)O2)cc1Br 257211776 CAILRQAXCVGLFT-IMSXRSKXSA-N 540.838 4.724 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 260904677 FCKMXJRUVGSZEK-ZHRRBRCNSA-N 546.492 4.621 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 260981588 BAJQVNUXRGVWIN-MUUNZHRXSA-N 579.763 4.633 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 261006457 GAOYVOKHXYMQOY-OALUTQOASA-N 586.980 4.981 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 261022988 IKUDIAAGHCWQAW-CVEARBPZSA-N 548.920 4.745 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 261029041 WVSOBQQABOIEDR-GIGWZHCTSA-N 565.736 4.655 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 261125214 ZWTKZTCRESVNBA-MUUNZHRXSA-N 586.154 4.527 0 40 KJAB O=C(Nc1ccc(F)cc1F)C(=O)Nn1c(C(=O)Nc2ccc(F)cc2)cc2cc(Br)ccc21 408575736 FPJBYRDCQZGTLM-UHFFFAOYSA-N 531.288 4.782 0 40 KJAB COc1cccc(N(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)S(=O)(=O)c2cc(C)ccc2OC)c1 408622445 OMRLIMXXGZKHMA-UHFFFAOYSA-N 577.625 4.575 0 40 KJAB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2)c1 408652464 OPSLWRMJLYPLDS-WMPKNSHKSA-N 575.017 4.983 0 40 KJAB CC(C)COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2)cc1 408660480 LSWAONQGYNOWLI-UHFFFAOYSA-N 539.810 4.816 0 40 KJAB COc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)Nc4cc(Cl)ccc4C)CC3=O)cc2)cc1 408662711 XMZASDWLBLAEOG-GOSISDBHSA-N 508.958 4.984 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1 408695758 YNIJHZHCBXKOMQ-UHFFFAOYSA-N 592.139 4.638 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408727151 QEJVWXGRWYAIGY-RPXHZFJKSA-N 659.727 4.524 0 40 KJAB CN1CCN(C(=O)c2ccccc2C(=O)Nc2ccc3nc(SCC(=O)c4ccccc4)sc3c2)CC1 408749096 LHCVFCBXWAHGGO-UHFFFAOYSA-N 530.675 4.911 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC)c(OCC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408812683 PGTXUAARCFYGBI-AYTQJLEDSA-N 572.658 4.872 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(F)cc4)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 408822906 MUMCRFVTMFXCOQ-XQNWCSQWSA-N 542.632 4.825 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3OCC)c(=O)n2[C@H]1c1ccc(OCC)cc1 408834517 WJQLMEJKNZAKLQ-VZIOXZNFSA-N 561.487 4.903 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OC)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 409014734 IULCBDDDYOVESU-QEYQTOMISA-N 561.059 4.606 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(C)c4ccc(C)cc34)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 409042159 WKLAOAASWYHFBR-MFCBUNOESA-N 513.663 4.640 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409108611 XDVXXESGPFZGCW-OWIVCOMISA-N 584.742 4.849 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccc(C)c(C)c2)cc1 409110737 GFHRYNMXIVDONN-UHFFFAOYSA-N 512.075 4.809 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(C(=O)OC)cc4C)o3)c2=O)=N1 409121910 ZCEWGAGBEBXWOX-PQRKSKNISA-N 600.693 4.942 0 40 KJAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C2=O)cc1 409161946 XLCPJPUIZOUNGW-MFKUBSTISA-N 561.616 4.705 0 40 KJAB CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3c(C)cc(I)cc3C)n2CC)cc1 409165413 XZEQMULGFBTBIO-GOSISDBHSA-N 621.545 4.896 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(I)c1OCc1ccc2ccccc2c1 409190268 RBXJMMYZTDLUCF-UDWIEESQSA-N 528.346 4.945 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3Cl)cc2)cc1 409390769 VVPNMJHRNJDAOY-UHFFFAOYSA-N 509.411 4.888 0 40 KJAB CC(=O)N1CCC(CC(=O)N2CCC3(CCCCc4ccccc4OCCN(Cc4ccncc4)C3)CC2)CC1 643569134 VFXVDQNSORULOZ-UHFFFAOYSA-N 546.756 4.946 0 40 KJAB COc1ccc(CC(=O)N2CCCN(C(C)C)CCN(C(=O)c3noc(C)c3CN(C)C)Cc3cccc(C)c32)cc1 2037912853 XCGDLHJOQHAKEU-UHFFFAOYSA-N 575.754 4.694 0 40 KJAB COc1ccc2cc(CN(Cc3cccs3)C(=S)NCCc3ccc(OC)c(OC)c3)c(=O)[nH]c2c1 884790 YQCZZPHQAUNOKN-UHFFFAOYSA-N 523.680 4.735 0 40 KJAB COc1ccc(CCNC(=S)N(Cc2ccc(F)cc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC 891341 WXPKPTALNGVKDX-UHFFFAOYSA-N 563.651 4.575 0 40 KJAB COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2cccc(OC)c2)cc1 931962 ZUTAHJJMRJBGDP-PMERELPUSA-N 535.604 4.539 0 40 KJAB CCOC(=O)c1c(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)sc2c1CC[C@@H](C)C2 997060 ASIGWISPOLTJFY-SECBINFHSA-N 508.360 4.975 0 40 KJAB COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCc4ccccc4)CC(=O)N32)cc(OC)c1OC 2116899 FHECOYCBMKVEIZ-QCDSWUKFSA-N 539.632 4.511 0 40 KJAB biogenic O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1ccc(Br)cc1 3220956 IJKLJIMTGAVLJT-UHFFFAOYSA-N 522.446 4.649 0 40 KJAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 3248746 OOJCYBWBWDFNNC-VWLOTQADSA-N 505.578 4.518 0 40 KJAB CSc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(C(=O)O)cc5)c(=O)n42)c2ccccc2CC3)cc1 3770290 JWXMSUDIABHNPM-SJJVXOANSA-N 510.640 4.739 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2n[nH]nc2-c2c(Br)cc(Br)cc2Br)cc1 6173453 CEJKNJHVYYCYHJ-UHFFFAOYSA-N 551.058 4.868 0 40 KJAB CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCN(C)C3)cc1 8880782 HRXQINSSIDZWSE-UHFFFAOYSA-N 535.732 4.756 0 40 KJAB Cc1cccc(-n2c(CNC(=O)COc3ccccc3)nnc2SCC(=O)Nc2cc(C)ccc2C)c1 9404211 CJLZXEKRVAJGSB-UHFFFAOYSA-N 515.639 4.619 0 40 KJAB Cc1cccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NCc2ccco2)c2ccccc2F)c1C 12487739 TZHTWIUMXVAVOE-SANMLTNESA-N 519.598 4.918 0 40 KJAB C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)O)c1ccccc1 14952320 FVQSSYMRZKLFDR-UKWUEPKQSA-N 614.743 4.859 0 40 KJAB in-vivo Cc1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccc(N4CCOCC4)cc3)nc2c1 16348360 VSGWLAPEBAPFPE-UHFFFAOYSA-N 510.019 4.973 0 40 KJAB COc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCN(c4ccccc4OC)CC3)c2c1 20382141 CSTAYHWPKYIYJX-UHFFFAOYSA-N 503.624 4.720 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 22277528 JGQNYDFVSUSRCR-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl 33473826 IYHLTWCCIZZAAE-UHFFFAOYSA-N 500.363 4.929 0 40 KJAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 38151102 IBSYIUYMCJKTNI-UHFFFAOYSA-N 528.472 4.644 0 40 KJAB Cc1ccc(N/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)cc1S(=O)(=O)N1CCOCC1 97980527 LBLDTZXQQHGNTN-JJIBRWJFSA-N 571.577 4.675 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(=O)(=O)Cc4ccccc4)c4ccccc4O3)cc2)c1 100096343 BXFVBTIUHRJMAK-GDLZYMKVSA-N 591.711 4.840 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3cccc(C)c3C)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)cc3)n2)cc1 100290588 OFBYRLMLBNZZSF-POURPWNDSA-N 552.679 4.643 0 40 KJAB O=C(c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)N1CCN(c2nc(-c3ccccc3)nc3sc4c(c23)CCCC4)CC1 100340079 NGCOABYBHUYMCO-XMMPIXPASA-N 617.797 4.657 0 40 KJAB O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](C(=O)c2cccnc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 101321332 XRCAPQRCOMRCAB-TVNXZVQQSA-N 541.563 4.792 0 40 KJAB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=N[C@@H]1c1cc(OC)c(OC)c(OC)c1 103828954 SZDRUZNSWHGKIE-XMMPIXPASA-N 527.643 4.539 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 106379257 DNWFMDGFYUKBOI-UHFFFAOYSA-N 592.139 4.666 0 40 KJAB COc1ccccc1N1CCN(C(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)CC1 106630536 VKUBMTCFXQWVFV-UHFFFAOYSA-N 534.465 4.546 0 40 KJAB O=S(=O)(c1ccc(OC[C@@H](O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1)c1ccc(OC[C@@H](O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1 150421588 VRRVNGGSHYFJJE-HSKRHYCDSA-N 767.005 4.661 0 40 KJAB CC(=O)O[C@H]1C(=C(Br)Br)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21 150422423 YUWLLZMGRZVIOZ-JJHGTGHCSA-N 671.302 4.766 0 40 KJAB COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(Cc2ccc(I)cc2)C1=O 205819814 NKGXQVPMDWEVMN-GIJQJNRQSA-N 511.337 4.554 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 222703974 SGQHOUGFOFTKSR-GFCCVEGCSA-N 574.836 4.595 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 222816420 BGOILXKPWKQNKN-FQEVSTJZSA-N 522.111 4.527 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 222956841 OCMXJTJVYQEGSY-DEOSSOPVSA-N 521.683 4.524 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223038780 LXBGQZWBLKNVBA-OAQYLSRUSA-N 555.663 4.894 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 223160028 IZFANWOWVKHLTO-AREMUKBSSA-N 539.673 4.743 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](CC)C(=O)NC)S(=O)(=O)c2ccc(Cl)cc2)cc1 223215925 XMZGWIYXLCFYCK-SANMLTNESA-N 576.090 4.627 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 223247715 CKPDNFKFOFKNNP-DEOSSOPVSA-N 553.700 4.971 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 223305798 FGERQXLQAASFOA-ABYGYWHVSA-N 579.763 4.796 0 40 KJAB 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4.658 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 409155689 MGQSZWICQOGYCF-DFONMQJTSA-N 674.823 4.873 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccccc3OC(F)F)c2=O)=N1 409168916 OIHVGPNPZVUCTJ-VZIOXZNFSA-N 563.022 4.842 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c2ccccc2)cc1OC 409177001 AHPQHZFRTQUZBK-UHFFFAOYSA-N 609.726 4.955 0 40 KJAB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 409180456 TUBMIRVLUAJAMR-UHFFFAOYSA-N 512.301 4.759 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(I)c1OCc1ccccc1F 409250988 SKCKFJSMSXTHCN-LPYMAVHISA-N 645.425 4.948 0 40 KJAB COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 409253003 YJMLBTCWLSOZLC-LPYMAVHISA-N 505.958 4.767 0 40 KJAB CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(Br)c(Cl)c1 409360352 PEWLCAYEJWFJOB-UHFFFAOYSA-N 526.819 4.514 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 409365368 ZFTWACPNHXMJLQ-CYBMUJFWSA-N 569.856 4.778 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)c(Cl)cc3Cl)S(C)(=O)=O)cc2)cc1 409412637 YVPDZAZQZAMBIP-UHFFFAOYSA-N 592.910 4.861 0 40 KJAB CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)N[C@H](C)COc2ccccc2Oc2cccc(Cl)c2)NC(=O)c2ccccc2OCCN(C)C1=O 643580666 RONWEWWPXJVCEK-OFQAEJFBSA-N 679.214 4.976 0 40 KJAB CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2ccc(C)cc2)cc1 931977 HUXBEURSDRUQLZ-WJOKGBTCSA-N 546.631 4.789 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O 1374454 RDNMDCPUDUEGLD-NDEPHWFRSA-N 542.615 4.873 0 40 KJAB O=C(CSc1nnc(NC(=O)c2ccccc2Cl)s1)Nc1ccc(N2CCOCC2)c(Cl)c1 1842336 RLWGDICQSGNZEK-UHFFFAOYSA-N 524.455 4.665 0 40 KJAB O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccco1)C1(Br)c3ccccc3C2(Br)c2ccccc21 2319928 BGKDRAJBUFXXQB-NAMINWQUSA-N 513.185 4.685 0 40 KJAB CCOC(=O)c1sc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)nc1C 2360843 ZFGGLEZMZHVSRN-UHFFFAOYSA-N 526.665 4.608 0 40 KJAB Cc1cc(C)cc(N(CCC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(Cl)cc2)c1 3338667 VKCLIFQAYBFJQS-UHFFFAOYSA-N 501.004 4.952 0 40 KJAB CSc1ccc(CN(C)c2nc3ccccc3nc2NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 3455585 YRYJGFROSHDZFM-UHFFFAOYSA-N 508.625 4.560 0 40 KJAB CC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N(Cc1ccc(F)cc1)Cc1ccco1 6015048 CFQMHSBIMICLBH-VWLOTQADSA-N 530.560 4.522 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3cnc4ccccc4c3)[C@H](C(=O)NCCC(C)C)c3ccncc3)n2)cc1 6279883 QGAGZLWMVJTTRW-LJAQVGFWSA-N 548.651 4.529 0 40 KJAB CCOc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1C=CC2(c2ccccc2)[C@@H]2C(=O)N(c3ccccc3OCC)C(=O)[C@H]12 6631500 YHXQNOBAAZOIFD-FLHQCTFHSA-N 562.622 4.533 0 40 KJAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC)cc2)N1C(=O)Nc1ccc(OC)cc1OC 9033947 PJIPYDGONPUTNF-SHQCIBLASA-N 515.566 4.915 0 40 KJAB biogenic COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)sc2c1CC(C)(C)NC2(C)C 9391501 VDOVVHHTMOTTRX-INIZCTEOSA-N 533.716 4.510 0 40 KJAB CCOc1ccccc1CCCNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 10110990 HVCKDXSALDEDCA-UHFFFAOYSA-N 501.048 4.991 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1C 10442586 QDNAPBWPTAKSFB-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB COc1ccc(NC(=O)CSc2[nH]c(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)c(OC)c1 12112460 YFLLPTJDBPDGDS-UHFFFAOYSA-N 509.609 4.658 0 40 KJAB Cc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1NC(=O)N1CCN(Cc2ccccc2)CC1 16347465 BCPZHQDYKJXFOF-UHFFFAOYSA-N 526.685 4.694 0 40 KJAB CCOC(=O)c1cc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)ccc1Cl 20111523 YOLIQSDTIRHOIZ-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NCCSc1ccccc1 20233752 NSIMXCNBHAXJGM-UHFFFAOYSA-N 505.459 4.553 0 40 KJAB C[C@@](N)(Cc1ccccc1)C(=O)Oc1ccc(-c2coc3cc(OC(=O)[C@H](N)Cc4ccccc4)cc(O)c3c2=O)cc1 72324089 GMRPECMMQVCOST-QRRWFCJLSA-N 578.621 4.507 0 40 KJAB biogenic COc1cc(/C=C/C(=O)OC[C@@H]2[C@@H](c3ccc(O)c(OC)c3)OC[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O 96023864 NNFCVTSCCNBWCZ-QPDANWEPSA-N 536.577 4.632 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCCOc3cccc(OC)c3)c(=O)n2[C@@H]1c1ccccc1 97965013 PWFORYSYWOYTPK-PQRKSKNISA-N 605.112 4.918 0 40 KJAB O=C(NCCCN1CCOCC1)/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)NC(=O)c1ccccc1 100728184 FLJKZWMVMUVBKQ-MOHJPFBDSA-N 528.436 4.863 0 40 KJAB CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cc(F)ccc4F)n(-c4ccccc4C)c(=O)c23)C1 101447656 KBEDKQADXGIISZ-UHFFFAOYSA-N 540.617 4.669 0 40 KJAB CC(C)C[C@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21 101497364 QKVFMUSRIBHIJA-CERKNEJRSA-N 540.623 4.920 0 40 KJAB CCc1cc(Br)ccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102087058 OSYIGRZIESSSNH-HSXQVNBESA-N 519.439 4.614 0 40 KJAB CCOC(=O)c1c(C)oc2nc(CN(Cc3nc(N)c4c(C(=O)OCC)c(C)oc4n3)[C@@H](C)c3ccccc3OC)nc(N)c12 102844914 XLPFIPJYRXHOKP-HNNXBMFYSA-N 617.663 4.666 0 40 KJAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccc(OC)cc4)CC3)cc2)c1 105351897 NQEGDWHHYCHXGF-UHFFFAOYSA-N 546.693 4.963 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 163758469 FURUUEWSINGTET-YRSDHNRQSA-N 663.546 4.877 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N3C[C@H](C(=O)NCCc4ccccc4)Oc4ccccc43)cc2)c1 222688243 KQIPVURVMSJHIB-WJOKGBTCSA-N 599.709 4.636 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](Cc2ccccc2)C(=O)NC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 222861801 CVKGNTIRPIXRFX-YTTGMZPUSA-N 675.804 4.693 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 222888570 MFKJASCVTVLEAN-LJQANCHMSA-N 525.646 4.600 0 40 KJAB COc1ccc(CN(C(=O)COc2ccccc2)[C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1 223574173 LFVSKLPUHDQJKE-HKBQPEDESA-N 538.600 4.889 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 223839905 OGMWRFIZTCISNQ-IBGZPJMESA-N 608.544 4.759 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223927473 XNXKGPCAXPPVPY-GOSISDBHSA-N 606.505 4.958 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O 223984638 IPNAYZQANXKLOC-MHZLTWQESA-N 545.746 4.528 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1C 223988207 LKOHDULTHCFBJY-IBGZPJMESA-N 554.540 4.852 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 224050717 UUXYYMVEKCOKPG-DEOSSOPVSA-N 593.746 4.765 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 224278822 HXYQJLDGNWPXHJ-HHHXNRCGSA-N 572.127 4.796 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 224349554 DGULRMRBBDSMJX-AREMUKBSSA-N 596.149 4.820 0 40 KJAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224416107 IKDJBCLZRSYNTE-UHFFFAOYSA-N 517.500 4.596 0 40 KJAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2c(C)[nH]c(C)c2I)c1 224521272 WUOBMJCTWSZJHJ-WOJBJXKFSA-N 504.397 4.817 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 224754223 NMSQFMOYKXYYIB-OAQYLSRUSA-N 580.044 4.844 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc(Br)c1 224772270 RJLPKDCDSGIQHZ-NDEPHWFRSA-N 612.590 4.914 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 224857304 HXXCXBFARQAXIR-SANMLTNESA-N 606.572 4.933 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 224951463 ZLFOZEANTTXLDS-QHCPKHFHSA-N 573.756 4.506 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 225221494 FTZNVLZZNOOGHT-DEOSSOPVSA-N 536.138 4.837 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225352920 YWXGHOFQXRFKLV-JOCHJYFZSA-N 586.538 4.602 0 40 KJAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225449797 GHZJPJVYQJEQDW-DEOSSOPVSA-N 555.663 4.628 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 225473500 IGYCRLPVISORHS-GOSISDBHSA-N 623.367 4.570 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 225541633 BKPRDSRAFLOILO-XMSQKQJNSA-N 542.529 4.790 0 40 KJAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 225690431 USPFBPWFAFCYOF-ZJZQLOBSSA-N 579.807 4.905 0 40 KJAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(N(C(=O)Cn3nnc4ccccc43)[C@@H](C(=O)NC3CCCC3)[C@@H]3CNc4ccccc43)cc2)C1 229938206 UPMLYLCXPPPCKQ-WRGSITHXSA-N 655.825 4.522 0 40 KJAB COc1cccc(S(=O)(=O)N2CCC(COc3ccc(Cl)c(C)c3)(CC(=O)N3CCCCC3)CC2)c1 257209992 BSRKPEVHWNTGAO-UHFFFAOYSA-N 535.106 4.910 0 40 KJAB COc1ccc(S(=O)(=O)N2CCC(COc3ccc(Cl)cc3)(CC(=O)N3CCCCC3)CC2)cc1 257241041 HWJLOTCMGAYCSL-UHFFFAOYSA-N 521.079 4.601 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 260754644 QSVKRXROBBYVEX-XMMPIXPASA-N 551.709 4.531 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NC)S(=O)(=O)c1ccccc1 260762621 QTQLLHLXJZHQRJ-WJOKGBTCSA-N 599.753 4.975 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1 260839602 ASZLSVGUNKTELO-HHHXNRCGSA-N 556.128 4.579 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)c2ccc(Cl)cc2)cc1OC 260923509 ILGPBQOJRQDTES-OAQYLSRUSA-N 620.143 4.881 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)c1 260926288 JFFZHPLILQZFMN-HSZRJFAPSA-N 569.699 4.528 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 261081777 RLBCPGJSSHLISO-DFHRPNOPSA-N 647.611 4.756 0 40 KJAB COC(=O)c1cc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 408546517 FBJALOGDZDZHKB-UHFFFAOYSA-N 507.395 4.922 0 40 KJAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)cc2)cc1Cl 408555962 BKXLNBSJVKWZEC-UHFFFAOYSA-N 511.383 4.829 0 40 KJAB CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 408610442 QULKZSYBTTUGQC-UHFFFAOYSA-N 506.839 4.534 0 40 KJAB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)C(=O)O)n[nH]2)c1 408632540 JMYTVLIKZIZWDZ-MTJSOVHGSA-N 507.524 4.973 0 40 KJAB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]21 408642583 FBEFMTJZZVTSQC-XWRIVVANSA-N 515.791 4.540 0 40 KJAB CCc1ccccc1NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408650592 FYIKKHSLHKBXLI-OJKWPBSESA-N 505.401 4.781 0 40 KJAB O=C(Oc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408673417 WVPCVQZTTDTYQM-BMGDILEWSA-N 501.366 4.632 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 408825811 AJDALSAIYRRYRT-BAZHDFBLSA-N 768.504 4.579 0 40 KJAB CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1Cl 408837266 BEQWKOHITXJOIU-ZGOFBEGVSA-N 560.075 4.935 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4c[nH]c5ccccc45)c(=O)n32)cc1 408842507 AHJVVQFTGSHCFB-YNMQQHPQSA-N 534.641 4.754 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c2ccc(F)cc2)cc1 408927127 SSRYJJVZIMGIQB-UHFFFAOYSA-N 571.627 4.908 0 40 KJAB COc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1OC 408939434 SNNBJZBYTCZLKL-UHFFFAOYSA-N 509.411 4.840 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5cc(C(=O)OC)ccc5Cl)o4)c(=O)n32)cc1OCC 408939866 IPAGGHKDBFGAJY-WUVWWEORSA-N 623.083 4.516 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3\C(=O)N(C(C)C)c4ccccc43)c(=O)n2[C@@H]1c1cc(Br)ccc1OC 409142235 CQKGJTPNDJEZSO-YRIXTDLASA-N 658.574 4.832 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(I)c1OCc1cccc(F)c1 409147339 VWASCYGRJUJHGZ-RQZCQDPDSA-N 557.337 4.529 0 40 KJAB O=C(O)c1ccc(COc2ccccc2/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1 409377393 HEXXLAZAEMORQC-MYYYXRDXSA-N 528.586 4.585 0 40 KJAB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccnc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N23)c1 504316746 GCUHDKILARNGKJ-KCIBBDPESA-N 527.580 4.946 0 40 KJAB biogenic COc1cc(CN2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)ccc1OCCn1cccn1 585270033 AQEPUMYLYAMPML-UHFFFAOYSA-N 500.039 4.647 0 40 KJAB Cc1ccc(C(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OC[C@@H](Cc3ccccc3)NC(=O)C2)cc1F 643557047 USLWKCCIUVTQMI-XMMPIXPASA-N 552.046 4.560 0 40 KJAB CN1CC2(CCCCc3ccccc3OCCCC1=O)CCN(C(=O)c1cccc(-n3cnnc3)c1)CC2 643563677 LHKQKPGKKOBDAT-UHFFFAOYSA-N 515.658 4.534 0 40 KJAB O=C(CCCn1ccnc1)N1CCC2(CCCCc3ccccc3OCCN(Cc3cccnc3)C2)CC1 643570095 JRKUYFYNSHFDKV-UHFFFAOYSA-N 515.702 4.975 0 40 KJAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N[C@H](C)COc2ccccc2Oc2cccc(Cl)c2)CC(=O)N[C@@H](CC(C)C)C1=O 643579090 PMHRYMASKUIUEU-MHZHKKNFSA-N 679.214 4.976 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1ccc(O)cc1)N(C(=O)[C@@H]1COc2ccccc2O1)c1ccc(F)cc1 930922 VSZRMAGUWIYVAE-SVBPBHIXSA-N 504.558 4.895 0 40 KJAB COc1ccc(CN(C(=O)[C@@H]2COc3ccccc3O2)[C@@H](C(=O)NC2CCCCC2)c2ccco2)cc1 931071 APPHFDUWRNSKFH-RRPNLBNLSA-N 504.583 4.647 0 40 KJAB Cc1ccc(Cc2nn3c(=O)/c(=C/c4cn(-c5ccccc5)nc4-c4ccc(OCC(C)C)cc4)sc3nc2=O)cc1 1872780 UMNYZYFHRSCRDT-MIXAMLLLSA-N 575.694 4.846 0 40 KJAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 1917218 REQBVVRHMBZPLW-DEOSSOPVSA-N 548.617 4.703 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)cc4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 2064120 OFTVHLBVNSBDEU-IGSWSUAKSA-N 522.985 4.851 0 40 KJAB CCc1cc(=O)oc2cc(OC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)c(Cl)cc12 2092789 ZHJINBLGWJRVFP-QHCPKHFHSA-N 526.010 4.812 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 2124344 DQKBCZVGRQVGOG-PLQXQRLBSA-N 593.455 4.550 0 40 KJAB COc1cc(SC)ccc1C(=O)N[C@H]1C[C@H]2C(=O)Nc3ccc(-c4ccc(SC)cc4)cc3C(=O)N2C1 4201111 JNEIMHUTPPXLFU-UUOWRZLLSA-N 533.675 4.771 0 40 KJAB biogenic,in-vitro CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccc(F)cc2)cc1 9934148 MVORYFGGBIJFHI-VWLOTQADSA-N 505.546 4.989 0 40 KJAB CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2[C@H](C)CC)C1 12531360 PELUJFMXKOJMAK-SJLPKXTDSA-N 512.628 4.851 0 40 KJAB COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCCC(C)C)c1ccc(F)cc1 12712864 GVZATLUJZGBWJO-MUUNZHRXSA-N 517.605 4.511 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1 13495332 NYSVMXMQCUPQTQ-AREMUKBSSA-N 501.635 4.967 0 40 KJAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1Cl 59444577 LFYJHEAAZMDWCP-UHFFFAOYSA-N 507.837 4.975 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1 59929361 VMCQAYYEMQXFKS-AREMUKBSSA-N 559.654 4.869 0 40 KJAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccccc3)cc2)n1 60060646 WUZJEIRENUBVCO-UHFFFAOYSA-N 606.513 4.727 0 40 KJAB COc1ccc(Cl)cc1C(=O)Oc1coc(CSc2nnc(NC(=O)c3cccs3)s2)cc1=O 97990888 XCEDGMNEDGJWCE-UHFFFAOYSA-N 536.012 4.979 0 40 KJAB COc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccc(F)cc2)Cc2ccco2)cc1Cl 98048208 PTISFBXXDMHVOJ-UHFFFAOYSA-N 544.992 4.733 0 40 KJAB CCOc1ccc([C@H](C(=O)NCCC(C)C)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1OC 100366694 FQDKTBDDDJGUGA-SSEXGKCCSA-N 543.668 4.771 0 40 KJAB CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 100370503 COBUHENRDHSYNL-DEOSSOPVSA-N 558.639 4.673 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(SCC(=O)c4cc(OC)ccc4OC)o3)cc2)cc1 100372896 JYRNHIMJBUJECS-UHFFFAOYSA-N 541.607 4.538 0 40 KJAB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3sc(=O)n(-c4ccccc4)c3Cl)[C@H]2C1=O 100920651 YFLRBLNXCVATHI-VSKRKVRLSA-N 517.994 4.912 0 40 KJAB COc1ccc(C(OC[C@H]2O[C@@H](N3C[C@H](C)C(O)=NC3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 100995760 UADILIXSAPFXMW-JQAQQEILSA-N 546.620 4.516 0 40 KJAB O=C(Nc1ccc(C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 102954765 MHGMKPAFDFZZAP-KDGKYOGISA-N 515.075 4.789 0 40 KJAB O=C(NC(=S)Nc1ccc(I)cc1F)c1cc(Br)ccc1Cl 104122216 VYMRQXNMFNWLQP-UHFFFAOYSA-N 513.557 4.973 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3ccc(C(N)=O)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2 108450165 ABFHUHONCMUQNY-SANMLTNESA-N 616.715 4.573 0 40 KJAB biogenic Nc1nc(OCc2ccccc2)c2ncn([C@@H]3C[C@H](OCc4ccccc4)[C@@H](COCc4ccccc4)[C@@H]3O)c2n1 112737635 SYPCZZWUNIHLBU-DIBLIPFTSA-N 551.647 4.712 0 40 KJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@](O)(CC(=O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]4(C)C[C@@H](O)[C@@]32O)C1 123275164 BCCTYEHUEJTHPG-DOTSRWELSA-N 506.724 4.665 0 40 KJAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([C@@H]4SCC(=O)N4CCc4ccccc4)cc3)cc2)n1 139731192 PRGPHOCNJNLFQE-LJAQVGFWSA-N 587.727 4.963 0 40 KJAB CCOC(=O)N1CCN(C(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)CC1 216525501 XQWYMTFNJYTIGL-UHFFFAOYSA-N 586.110 4.723 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 222650489 UPWOMQKPKHJBET-MHZLTWQESA-N 586.154 4.527 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc3ccccc3c2)c2cc(C)cc(C)c2)cc1OC 222763027 PMSZLMZHPHRLHR-UHFFFAOYSA-N 518.635 4.986 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 222862214 RPMDKVLUNMKQEQ-LJAQVGFWSA-N 581.735 4.540 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 222868548 FCWVEMYDKOUJFF-NDEPHWFRSA-N 586.154 4.589 0 40 KJAB O=C(NCCO)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 223377425 UVAJLAOXTUMIQJ-SSEXGKCCSA-N 626.106 4.537 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 223446207 UDGFAQWBKIWABW-JOCHJYFZSA-N 572.127 4.878 0 40 KJAB CCCc1ccc(OCCNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 223519102 UOGYTCMEJQUDPE-UHFFFAOYSA-N 501.048 4.991 0 40 KJAB CS(=O)(=O)N(CC(=O)NCCOc1ccc2ccccc2c1)c1cc(Cl)c(Cl)cc1Cl 223599423 BCRTZDQSSOPADL-UHFFFAOYSA-N 501.819 4.761 0 40 KJAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2Br)o1 223670404 JKTRALNXBRILFA-LEWJYISDSA-N 504.381 4.779 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 223807606 UAVSHGDLDCAAAX-DEOSSOPVSA-N 536.138 4.953 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 223927619 KBEAMOPFNDPWPG-GOSISDBHSA-N 566.482 4.881 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224482184 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CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 222992939 YUEXUTZFPVRNIX-OAQYLSRUSA-N 602.551 4.515 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 222994526 VFESRKQQSRCRGA-AREMUKBSSA-N 542.101 4.706 0 40 KJAB Cc1ccc([C@H](NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c2ccccc2)c(C)c1 223017379 CWLNCUDJIWJGHP-MUUNZHRXSA-N 508.640 4.527 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 223042604 MMFQESMZZSYQSO-IBGZPJMESA-N 622.969 4.860 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 223158283 ZCBZAIAQBHOTFV-QHCPKHFHSA-N 578.518 4.751 0 40 KJAB Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)o2)c(Br)c1 223160571 SBPJYUKHBYVEMA-DHIUTWEWSA-N 531.451 4.548 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223162369 MMRVDNOCUIPICT-QHCPKHFHSA-N 552.137 4.617 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223883893 AUVCGODAMHTHIB-LJQANCHMSA-N 608.544 4.759 0 40 KJAB O=C(O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 223946170 TUYGBNRMVCIMJY-RRPNLBNLSA-N 525.634 4.584 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O 223960568 NTYJBRHCOARPDO-SFHVURJKSA-N 542.529 4.655 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224286440 DTQRNFRLPLZYSI-AREMUKBSSA-N 602.153 4.804 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc(OCC)cc1)S(C)(=O)=O 224433607 COKSQWVBAQLDQL-DEOSSOPVSA-N 572.555 4.882 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1)c1cccc(Br)c1 224676609 XYWHXDHGPAVFRX-UHFFFAOYSA-N 505.409 4.527 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 225046696 GLCLMLSOIPKKQL-RUZDIDTESA-N 578.573 4.780 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 225356421 GGPHZGYAUHIFJU-NDEPHWFRSA-N 661.606 4.922 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 225383377 CQTLKQIUSFZQQM-IBGZPJMESA-N 548.492 4.660 0 40 KJAB COC(=O)c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)o2)c1 225443832 CWZNBGJTFVLGIN-FTJBHMTQSA-N 578.672 4.685 0 40 KJAB COc1cccc(Cn2c(SCc3nc(-c4cc(OC)c(OC)c(OC)c4)no3)nc3ccccc3c2=O)c1 225538187 FIBVPZHKUOYECS-UHFFFAOYSA-N 546.605 4.822 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 225667355 RVEZCIMFGZFDHT-OAQYLSRUSA-N 618.127 4.635 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 225739933 VCWCFFKUNFUFNE-VGOFRKELSA-N 586.538 4.600 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 225739964 VCWCFFKUNFUFNE-HTAPYJJXSA-N 586.538 4.600 0 40 KJAB COc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc1 225781642 WZZIOQQUAQGONM-MRXNPFEDSA-N 519.044 4.519 0 40 KJAB CCc1cc(Br)cc(CC)c1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C 226053419 IYJKHPZVQCNURA-UHFFFAOYSA-N 509.466 4.684 0 40 KJAB COc1ccc(C(=O)O)c(OCC(=O)N(Cc2cc(OC)c(OC)c(OC)c2)[C@@H](C)c2ccccc2)c1 257286340 PLEUUDVVIIKEMG-SFHVURJKSA-N 509.555 4.588 0 40 KJAB CN1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 257295705 QZNOSTDCSLPNPC-AREMUKBSSA-N 522.448 4.598 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 260789753 MPCWRMJOEDFPKY-XMMPIXPASA-N 563.720 4.757 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 260873364 FUONZDIXQBOCRO-RUZDIDTESA-N 625.788 4.796 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 260924135 GZDCGOBNQOODGF-YADHBBJMSA-N 602.153 4.885 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 260937124 IESLYKLBCTYYTO-UIOOFZCWSA-N 609.789 4.890 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 261014382 HGBZCNWPILILOZ-VXKWHMMOSA-N 616.578 4.985 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c2ccccc2)cc1 261044537 ZBZCJQWRWCTTMB-DHIUTWEWSA-N 569.699 4.752 0 40 KJAB Cc1cc(I)ccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 408544959 JWQNJCAFDZEYCK-UHFFFAOYSA-N 524.355 4.573 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Br)c3)cc2)cc1Cl 408550199 BGFLPGLBTNWYHV-UHFFFAOYSA-N 525.808 4.929 0 40 KJAB CCOC(=O)c1sc(NC(=O)CSc2nnc(C34CC5CC(CC(C5)C3)C4)o2)c(C(=O)OCC)c1C 408581970 KHELLGMUGVAYIV-UHFFFAOYSA-N 533.672 4.992 0 40 KJAB CCCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)cc3C)CC2=O)cc1 408654436 GQYAMIUDCGBJHA-LJQANCHMSA-N 545.430 4.639 0 40 KJAB C[C@@H](C(=O)OCC(=O)Nc1ccc(F)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408686136 MNUIJWMWJOAFHS-ZETCQYMHSA-N 508.116 4.606 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1 408704851 UKCIEPGMAZCWNN-UHFFFAOYSA-N 565.673 4.967 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)c1 408711163 AUENPXMAGYPYLJ-UHFFFAOYSA-N 596.127 4.651 0 40 KJAB O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1)N1CCN(c2cccc(Cl)c2)CC1 408714683 VDQOKBZRFUSBNU-UHFFFAOYSA-N 530.905 4.537 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)O)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408736184 KCOWALCSAPVGDP-BIWBSIMWSA-N 556.640 4.880 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC(C)C)c(I)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 408926446 NKUDMYURBCOIOX-IZBTWGKQSA-N 774.415 4.812 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3OCC)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408934256 BQVATIBRUUDSSF-CBYYHRJHSA-N 615.546 4.755 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(Br)cc3)c2=O)=N1 408970831 KWMJKXQDFTZGFM-FVIVVMBBSA-N 530.447 4.636 0 40 KJAB Cc1c(NC(=O)CSc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c(=O)n(-c2ccccc2)n1C 408978654 AFRNMZBSZYJGKO-BGYRXZFFSA-N 561.689 4.505 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4F)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409035075 IVUGWNBETRJILW-PMYQURGISA-N 704.773 4.866 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(I)cc(I)c4O)c(=O)n32)cc1 409038425 OXIKEUBOTAZWEY-JGZDWKDESA-N 730.362 4.500 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c2ccc(F)cc2)cc1 409129980 LNSAAYAJCSHQCI-UHFFFAOYSA-N 545.636 4.941 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccc(C)cc3)C(C)C)n2CC)c1 409142499 KOKWQFIGLVSDAZ-QHCPKHFHSA-N 523.659 4.641 0 40 KJAB Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)NCc4cccs4)c4ccccc34)NC2=S)cc1C 409145411 IAKWMYWYAXSPIT-QRVIBDJDSA-N 500.649 4.898 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1 409146173 RXJPSYZKGCOIJQ-XDHOZWIPSA-N 536.400 4.808 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4sc(C)c(C)c4C(=O)OC)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 409201602 WQVHQCIHIICJJU-LKWZWFHSSA-N 603.766 4.979 0 40 KJAB CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1cccc(Cl)c1C 409356784 HKSVWHKOODPVNE-VAWYXSNFSA-N 504.443 4.974 0 40 KJAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C 409399791 MKLUOEMDBYMDMD-MTJSOVHGSA-N 567.982 4.537 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)c(=O)cc1[C@@H](NC(C)=O)CC2 524730548 MYYUCEWNNSBSTP-SANMLTNESA-N 657.768 4.664 0 40 KJAB biogenic COc1ccc(NC(=O)C2(N(CCc3c[nH]c4ccccc34)C(=O)CN3C(=O)c4ccccc4C3=O)CCSCC2)c(OC)c1 575443553 CHACPXZCKWFPLP-UHFFFAOYSA-N 626.735 4.757 0 40 KJAB Cc1cc(=O)oc2cc(O[C@H]3O[C@H](COS(=O)(=O)O)[C@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)ccc12 1857795301 ROFIGSQDRQGRFR-LJQDTUBNSA-N 730.700 4.701 0 40 KJAB COc1ccc([C@H](C(=O)NC2CCCC2)N(CCc2ccccc2)C(=O)[C@@H]2COc3ccccc3O2)cc1 888249 FEXATXOIMWSQRS-URLMMPGGSA-N 514.622 4.706 0 40 KJAB Cc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[nH]c2c1 913770 CXMZEGUCNMYKGM-UHFFFAOYSA-N 530.524 4.975 0 40 KJAB Cc1cc(C)c2cc(CN(Cc3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1 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CC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O 57641113 IGGRSDBFXWRGQG-SANMLTNESA-N 502.619 4.800 0 40 KJAB O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 59929265 PUZHJIKJSSRPAX-HSZRJFAPSA-N 552.911 4.885 0 40 KJAB CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)C[C@@H](Cc1ccc(NC(=O)CONC(=O)OC(C)(C)C)cc1)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C 94303192 PXAWVIHJJQWWGP-GDLZYMKVSA-N 794.984 4.963 0 40 KJAB in-vitro COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N=3)ccc1OC(F)F 98046205 FIJDOIAVRSNLKH-MGSPXPDISA-N 567.639 4.854 0 40 KJAB O=C1[C@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@]1(C(=O)N(Cc3ccccc3)c3ccccc31)N1CCC[C@H]21 100220079 XPHWSLMTNITVDN-DOUCHOMGSA-N 531.534 4.731 0 40 KJAB COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cc2cccs2)c2ccc(-n3cnnn3)c(C)c2)c1 100333529 VLODNBVEUIBKBT-MUUNZHRXSA-N 544.681 4.807 0 40 KJAB CCOc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C(C)=O 100365529 ASEZESQCYRBEHU-PMERELPUSA-N 539.636 4.866 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]5Sc6[nH]c(=O)sc6[C@@H](c6ccc(Cl)cc6)[C@H]45)[C@@H]3C2=O)cc1 100849259 YUCLXAXGOLLGEG-LFCPWCDWSA-N 567.088 4.944 0 40 KJAB C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=c3\sc4nc(-c5ccc(F)cc5)nn4c3=O)ccc2O1 100902584 KMSJQBNSUKCPLO-HAWKZNDISA-N 521.577 4.681 0 40 KJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 101672048 MEUGUJJXQASHQF-QYOOZWMWSA-N 561.516 4.631 0 40 KJAB Cc1cc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c(C)cc1Br 102087112 FXFIRZYOZWVQGV-WUPOJYRCSA-N 519.439 4.669 0 40 KJAB Cc1occc1-c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1-c1ccccc1 103070098 RFBUVTZUDVLXAK-UHFFFAOYSA-N 537.667 4.741 0 40 KJAB O=c1/c(=C\c2ccc(O)c(Br)c2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 103713643 JZEGRGLRCKBFPX-FJWZAKCXSA-N 521.461 4.848 0 40 KJAB COc1cc(NC(=S)NC(=O)c2ccc(I)cc2)ccc1NC(=O)c1cccs1 105314799 ZRZTWOSETAEBHW-UHFFFAOYSA-N 537.404 4.740 0 40 KJAB 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601.910 4.991 0 40 KJAB CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)CCCn2cccn2)CC[C@@H]1Oc1cccc(Cl)c1 257214071 CKKGTBYYORGMSS-OZXSUGGESA-N 509.050 4.662 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](CC)C(=O)NC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 260704947 AJFYRNNKHSHXPI-MUUNZHRXSA-N 629.751 4.769 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O)[C@H](C)C(=O)NC1CCCC1 260787162 MBJSRTNKDUDHAQ-XMMPIXPASA-N 527.731 4.634 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)cc1 260799555 QCIOBTHGKSJCCV-RUZDIDTESA-N 577.747 4.983 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1 260868624 DNITYBQVPCZLNP-RUZDIDTESA-N 565.736 4.779 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)cc1 260870682 DVHYRPWXRFHLEL-RUZDIDTESA-N 565.736 4.697 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 260874432 MBKXXISFTQGIGQ-GDLZYMKVSA-N 549.737 4.543 0 40 KJAB 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CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 225234302 BXRGDMFHAHLZFX-DEOSSOPVSA-N 522.111 4.563 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 225259506 GLTYJBUMIKKPSR-PMERELPUSA-N 591.774 4.859 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 225375414 LJXRKGAAGMNMCG-MUUNZHRXSA-N 602.153 4.886 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 225398368 KNVKPSPDYDKIMO-NDEPHWFRSA-N 595.762 4.850 0 40 KJAB Cc1cccc(C)c1N(Cc1ccc(C(=O)NCc2ccccc2-n2ccnc2C)cc1)S(C)(=O)=O 225457142 VFGOGDGWVPJQND-UHFFFAOYSA-N 502.640 4.694 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(Cl)cc1 225464743 FNXVPNHTRNAGCU-QFIPXVFZSA-N 572.127 4.876 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225499152 XJEHYKZTABYIBF-QFIPXVFZSA-N 586.552 4.895 0 40 KJAB COC(=O)c1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccccc1 225540085 QMODKIZHTZIZSA-SXOMAYOGSA-N 525.634 4.660 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 225681907 BKNMBQXBXDIDID-OPAMFIHVSA-N 546.492 4.621 0 40 KJAB O=c1sc2cc(S(=O)(=O)NCCSCc3cccc(Cl)c3)ccc2n1Cc1ccccc1 225740010 MJNDURDWKUHQNU-UHFFFAOYSA-N 505.086 4.976 0 40 KJAB CCc1ccc2nc(O)c(CN(CCc3ccccc3)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 253500376 IKTMEFGOMVKASO-VPUSJEBWSA-N 500.647 4.864 0 40 KJAB O=C(C[C@]1(COc2ccc(Cl)cc2)CCCN(C(=O)c2ccccc2Br)C1)N1CCOCC1 257327029 WZOMWXOCBFKYGO-RUZDIDTESA-N 535.866 4.653 0 40 KJAB Cc1cccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 260891765 QZOCMURFEIXBTR-WJOKGBTCSA-N 571.743 4.933 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 261008374 SZQBZGZTFDREFU-RPWUZVMVSA-N 551.709 4.885 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 261038805 YJFATZNDGJXIBO-RPBOFIJWSA-N 535.710 4.565 0 40 KJAB COc1ccc(CCNC(=O)C(=O)Nn2c(C(=O)Nc3c(C)cccc3C)cc3cc(Cl)ccc32)cc1OC 408583181 ZGDCCJKQUCOJBB-UHFFFAOYSA-N 549.027 4.610 0 40 KJAB Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1C 408646659 UAXCJHXQNLXHOK-QOOAILMYSA-N 523.416 4.903 0 40 KJAB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408649616 YOBYMELOQXRGIT-UXHICEINSA-N 515.791 4.684 0 40 KJAB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccccc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]21 408651710 NXAGUKRTURGPDI-WMTVXVAQSA-N 557.002 4.997 0 40 KJAB Cc1cc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)cc2)c(C)cc1Br 408684410 JYAFUCTUPYQRLD-KPOBHBOGSA-N 527.415 4.787 0 40 KJAB COC(=O)c1ccc(N2C(=O)c3ccc(C(=O)N4[C@H](C(=O)c5ccccc5)[C@@H]4c4ccccc4)cc3C2=O)cc1 408689716 ZDKSNGBILRSOCM-OGQWQJJZSA-N 530.536 4.722 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(SC)c(C(=O)N4CCCCC4)c3)cc2)cc1 408714811 PBERERHYXYKNME-UHFFFAOYSA-N 575.734 4.645 0 40 KJAB Cc1cccc(NC(=O)[C@H](Cc2cc(I)c(O)c(I)c2)NC(=O)OCc2ccccc2)n1 408739332 ZMCIRFDRTZRODJ-IBGZPJMESA-N 657.246 4.781 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408760020 QBAWTHQZFXGJPE-SFKHYTNKSA-N 693.572 4.649 0 40 KJAB CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1Cl)c1cc(C(F)(F)F)ccc1Cl 408906883 JUXJGQGSICFUBP-UHFFFAOYSA-N 515.406 4.828 0 40 KJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCC(=O)O)c(I)c3)C2=O)cc1C 408929681 MNGQDDAQSNEZMU-CAOOACKPSA-N 645.269 4.809 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5ccc(C(=O)O)cc5)c(OC)c4)c(=O)n32)cc1OCC 408933112 HPGPNENAAIFGQS-WQVUUJHJSA-N 723.598 4.864 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OCC 408936798 PYVCTZGNYDICSW-NDENLUEZSA-N 577.453 4.773 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1cccc2ccccc12 409000669 FKDBMGIQBKCABY-QCHPHUCNSA-N 722.342 4.866 0 40 KJAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OCC(C)C)cc4)c(=O)n32)c1 409015668 CVDYLLJQTKDTHA-NULZLWRNSA-N 553.684 4.917 0 40 KJAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)c(I)c2)C1=O 409065195 GWICYEWXBDZXIW-SGEFVQMOSA-N 541.338 4.607 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 409072876 UDDKBFLPXLDWRG-LPYMAVHISA-N 615.399 4.939 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 409088420 LSUKYKQAKBMARV-ASSGYOTOSA-N 516.066 4.910 0 40 KJAB COc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Cl)c1OCc1ccc(Br)cc1 409096581 KADXMQSNZKVMLA-UHFFFAOYSA-N 682.018 4.815 0 40 KJAB COCCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(I)cc2)C1=O 409228157 UVMMJEKYCBVLQU-CPNJWEJPSA-N 509.365 4.943 0 40 KJAB COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(Sc4nccc(C)n4)o3)c(=O)n21 409273646 KMPZUZOGZHPCGO-NIQJEMAJSA-N 597.118 4.691 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1OS(=O)(=O)c1ccccc1 409275733 WFTCUOXXSUSGIQ-NDENLUEZSA-N 578.546 4.555 0 40 KJAB COc1ccc(C(=O)N2CCC[C@](COc3cc(C)c(Cl)c(C)c3)(CC(=O)N3CCC(O)CC3)C2)cc1 585287330 MOFBYPBNZMMXFY-LJAQVGFWSA-N 529.077 4.640 0 40 KJAB O=C(COc1ccc(CN2CCCC2)cc1)N1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1 643566575 UQGVBUHKZCNTDT-UHFFFAOYSA-N 533.713 4.582 0 40 KJAB Cc1c(NC(=O)c2nn3c(c2Cl)N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)c(=O)n(-c2ccccc2)n1C 866937 OBQMETUZRKGQLJ-GOEBONIOSA-N 520.899 4.840 0 40 KJAB COc1ccc(CN(Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 923963 IKCMLDFFXGTWPX-UHFFFAOYSA-N 529.014 4.598 0 40 KJAB Cc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CC=CCC1 1418910 PAICENCDJFODFF-YKGWIAGDSA-N 537.620 4.861 0 40 KJAB O=C(Nc1cccc(C2=NCCN2)c1)c1ccc(-c2ccc(C(=O)Nc3cccc(C4=NCCN4)c3)cc2)cc1 1681988 HOYOJUMMRGKESB-UHFFFAOYSA-N 528.616 4.558 0 40 KJAB in-vitro O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C(=O)CN1C1CCN(Cc2ccccc2)CC1 2113157 PXNBSMOCEURPOE-QCENPCRXSA-N 504.634 4.517 0 40 KJAB biogenic CC[C@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn12)C(=O)Nc1ccc(OC)cc1 2969599 ISDPRBMFRAAPMO-QHCPKHFHSA-N 515.643 4.852 0 40 KJAB CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccc(Cl)cc3)cc2Cl)CC1 8897014 ALSAGAISZJWNFH-BJMVGYQFSA-N 505.471 4.824 0 40 KJAB COc1ccc(-c2csc(NC(=O)CSc3nnc4c(C)cc5cc6c(cc5n34)OCCO6)n2)cc1 12470368 PLKUYFLKWJFBTD-UHFFFAOYSA-N 519.608 4.825 0 40 KJAB CCN(CC)C(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 13681972 NXVWXQJRGLUGKS-UHFFFAOYSA-N 526.486 4.656 0 40 KJAB CCOC(=O)N1CCc2c(sc(NC(=O)CN3CCCCCC3)c2C(=O)Nc2cccc(Cl)c2)C1 15946154 YVJBXMHIRPCHEL-UHFFFAOYSA-N 519.067 4.983 0 40 KJAB CS(=O)(=O)N1CCN(c2ccccc2NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)CC1 16248530 CRQBPGUVWIDRGE-DHZHZOJOSA-N 520.438 4.987 0 40 KJAB COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCC(=O)N2CCN(C)CC2)c1 19944795 NSAQPRFJAQRUMN-PMERELPUSA-N 508.622 4.553 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(SC)cc1 20010034 FHXHPOFZVIZDBZ-HTAPYJJXSA-N 519.088 4.838 0 40 KJAB COc1ccc([C@@H](C)NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 20012197 IVJMLCLMAGNRMV-GOSISDBHSA-N 505.011 4.864 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)c2ccc(Br)cc2)cc1 20235537 LTRLVRMRSIFFBK-UHFFFAOYSA-N 507.837 4.923 0 40 KJAB O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 34853977 WMRHHRDZYIPISU-MHZLTWQESA-N 503.599 4.665 0 40 KJAB aggregator COC(=O)c1cc2cc(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(OC)cc3)ccc2s1 59834777 JYBXVKYHMXEKJM-UHFFFAOYSA-N 524.620 4.526 0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c(C)c1 59882780 DNEZEUSQSHAOBO-UHFFFAOYSA-N 549.674 4.938 0 40 KJAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](Cc4c[nH]c5ccccc45)N[C@@]4(C(=O)Nc5c(C)cc(Cl)cc54)[C@@H]3C2=O)cc1 70706636 YWRRMKCECVYWLV-ZGQJUUMOSA-N 553.018 4.500 0 40 KJAB biogenic O=S(=O)(c1cccc(N2CN(S(=O)(=O)c3ccc(Br)cc3)c3nc4ccccc4nc32)c1)N1CCCCC1 96022565 TVPYSSAYERQSBZ-UHFFFAOYSA-N 614.547 4.871 0 40 KJAB CCn1c(COC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)nc2cc(S(=O)(=O)N(C)C)ccc21 97982525 QNVGJFTURLUZAR-UHFFFAOYSA-N 598.607 4.930 0 40 KJAB CCCOc1ccc(C(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)O)cc1 100007755 QHPDTTLRRBWTDU-UHFFFAOYSA-N 610.211 4.510 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1)c1cccc(Cl)c1Cl 100095114 GOAMQEZFOINNTD-UHFFFAOYSA-N 562.475 4.684 0 40 KJAB COc1cc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(NC(C)=O)cc2)cc(OC)c1OC 100358312 FRUQGWQKFPHVID-SANMLTNESA-N 535.597 4.711 0 40 KJAB O=C(CSc1nnc2n(Cc3ccccc3)c3ccccc3n12)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1 100449124 UDKYYXOCUJNODL-UHFFFAOYSA-N 560.705 4.684 0 40 KJAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](CC(C)C)N[C@]21c2ccccc2-n2c1nc1ccccc1c2=O 101507724 UCVGRVLDZOLRQX-DXSIMJTGSA-N 539.035 4.728 0 40 KJAB O=C(Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2cc(Br)ccc21)Nc1cccc(Cl)c1 102004142 FNTOAILIHSMBQT-UHFFFAOYSA-N 519.182 4.860 0 40 KJAB COCc1nn2c(ncc3c(=O)n(NC(=O)COc4ccc5ccccc5c4)ccc32)c1-c1ccc(Cl)cc1 102354413 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551.709 4.859 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 222483883 CXRPROXDRIKDED-MHZLTWQESA-N 641.787 4.557 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 222608495 UUXYSTBEONDWQN-HHHXNRCGSA-N 574.118 4.657 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 222616072 QNNIRZNORMEGSR-HHHXNRCGSA-N 553.700 4.970 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 222619368 ZDJLWLGAWKYMAM-MHZLTWQESA-N 557.663 4.801 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 222735972 IZHNEVYGQOLEKA-MHZLTWQESA-N 606.572 4.934 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 223176947 CXKTVBUJNNRYMT-FCHUYYIVSA-N 580.589 4.944 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCC2(c3ccccc3)CCOCC2)c2ccc(C)cc2)cc1Br 223532248 FPUKBWOWGKOXER-UHFFFAOYSA-N 587.536 4.826 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 223568457 HNEMJWLCKWAWLM-MHZLTWQESA-N 581.735 4.623 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 223661597 BUKWTUOGKRXTBQ-RUZDIDTESA-N 592.545 4.544 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 223682002 KXCGASZMQKUCIP-XMMPIXPASA-N 566.562 4.556 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 223987997 AHZCNFOXXCFARQ-JOCHJYFZSA-N 572.127 4.714 0 40 KJAB Cc1[nH]c(C)c([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1I 224002371 RFEKGTYJKAGEQM-VQTJNVASSA-N 518.380 4.537 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224062018 KIJQHTKXBRTZHA-LJAQVGFWSA-N 567.727 4.847 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224138975 KNJCGSOOIZNFBL-OAHLLOKOSA-N 593.371 4.854 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 224297286 RLRYYCVWIBFLBS-RUZDIDTESA-N 534.122 4.589 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1Cl 224649708 CCQHBWREMDONTK-NRFANRHFSA-N 560.091 4.925 0 40 KJAB CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)NCC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 224956967 VLNUVOVTDAQXJS-PMERELPUSA-N 639.815 4.920 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 225077139 LJNWOQYXCWPUPZ-AREMUKBSSA-N 527.731 4.634 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 225116399 ICMZAWNDUXXPLZ-MUUNZHRXSA-N 553.700 4.971 0 40 KJAB COc1cccc(CN(C(=O)COc2cc(OC)cc(OC)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 225119102 NNTXXWWUKSWWGW-SSEXGKCCSA-N 546.664 4.790 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225134835 SUZWPOGFPIRQIR-SFHVURJKSA-N 574.065 4.991 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 225182739 TUYMBCLLQOMDPU-XMMPIXPASA-N 613.752 4.989 0 40 KJAB C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccccc1 225225608 XKHSBLCSWMVTEY-OAHLLOKOSA-N 542.042 4.736 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)OC)cc2)cc1C 225284759 FVERNIVEYPECOY-NSOVKSMOSA-N 555.660 4.729 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 225308040 NUWNCIJAJCUYJE-RBUKOAKNSA-N 572.555 4.880 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 225463397 FECJLEPJNMQHJW-NEKDWFFYSA-N 551.709 4.613 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 225476304 DVQSXRXLNROPOB-JOCHJYFZSA-N 586.552 4.733 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 225550124 URHXPOFXROHHSJ-HHHXNRCGSA-N 618.569 4.911 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 225560064 TZGLMERVUVEONS-MUUNZHRXSA-N 647.611 4.757 0 40 KJAB Cc1ccccc1-c1noc(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)n1 225795195 NZHHHZSWUOHMRD-UHFFFAOYSA-N 527.027 4.602 0 40 KJAB CN(C)c1ccc(CCC(=O)N2CCC[C@]23CO[C@H]2c4ccccc4O[C@@](C)(CCC(=O)O)[C@@H]2C3)cc1 257256249 KKRIYDQCZYIFAU-GKIXMTHWSA-N 506.643 4.840 0 40 KJAB COc1ccc(CN(CCc2ccc(F)cc2)C(=O)COc2ccc(Cl)cc2C(=O)O)cc1OC 257276016 NSAKRUSKLDCRPX-UHFFFAOYSA-N 501.938 4.845 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 260787252 MEEAZFVTAURMAH-GOSISDBHSA-N 554.540 4.798 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 260865656 AGLZYZILKRRFHO-KCWPFWIISA-N 581.735 4.621 0 40 KJAB Cc1cccc(C)c1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 260886851 PPLPUUUIBZPNFW-HHHXNRCGSA-N 570.155 4.888 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 260962828 LHXMBZCFPDCTIK-RDPSFJRHSA-N 566.562 4.554 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 261013258 UTWPKXWIBZPZSJ-ROUUACIJSA-N 562.054 4.765 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 261045218 LBNSBFYPWNQVJL-FIPFOOKPSA-N 570.155 4.969 0 40 KJAB CCn1c2ccccc2c2cc(NC(=O)CN(c3ccccc3Br)S(C)(=O)=O)ccc21 408630850 XBPFPOCOQYTSGG-UHFFFAOYSA-N 500.418 4.982 0 40 KJAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(I)cc4C)cc3)C(=O)[C@@H]2C1 408686358 SGIXLOQYQUZXRH-RBUKOAKNSA-N 500.336 4.698 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 408803010 KIZFYSXWNGVAQO-ZGOFBEGVSA-N 546.595 4.656 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c2=O)=N1 408830704 ODBTVCZMSKAUGB-LKWZWFHSSA-N 704.583 4.779 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1cccc2ccccc12 408917998 DWXGPKKVORJFSY-ZSJKCPIUSA-N 593.499 4.731 0 40 KJAB COc1ccc(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(OC)c1 409002825 BHQGZVXWVKOUIW-UHFFFAOYSA-N 509.411 4.840 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4ccccc4OC)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1Cl 409011959 PIBKLLASUFAMBB-PSAPEEBNSA-N 662.164 4.877 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OC(C)C)c(OC)c4)c(=O)n32)cc1 409082255 INXILVAYNKJEGD-PQRKSKNISA-N 569.683 4.678 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(C(C)C)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1 409151639 IEALQKDWVVOGBV-CRCYZHLCSA-N 529.662 4.651 0 40 KJAB CCCCN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c2ccccc21 409385593 AUIBVMFFZFJOBV-BHUPMCRJSA-N 581.669 4.592 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)ccc3OCc3ccccc3)C2=O)o1 409401447 UCZYLQAHCNEKMD-UNOMPAQXSA-N 511.328 4.501 0 40 KJAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)Cc3ccc4ccccc4c3)CCO2)C1=O 643556278 KNOIMCANFSHBEW-HKBQPEDESA-N 500.639 4.634 0 40 KJAB CCn1cc(C(=O)N(C)CCC[C@H]2C(=O)N(C)CCCCC3(CCN(C(=O)OC(C)(C)C)CC3)COc3ccccc3C(=O)N2C)cn1 643560950 OSZKDCQMIVTGJL-LJAQVGFWSA-N 666.864 4.934 0 40 KJAB C[C@H]1COc2ccccc2CCCCC2(CCN(C(=O)Cc3cc(Cl)c4c(c3)OCCCO4)CC2)C(=O)N1 643561802 APGXXPNHGBURET-NRFANRHFSA-N 541.088 4.963 0 40 KJAB Cc1nccn1CCC(=O)N1CCC2(CCCCc3ccccc3OCCN(Cc3cccnc3)C2)CC1 643570193 QGIUHGAFMIDVGF-UHFFFAOYSA-N 515.702 4.893 0 40 KJAB COc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC(=O)N[C@H]2CCCC[C@H]2C)cc1 907104 YWDNNOFKLPBNPT-IERDGZPVSA-N 512.705 4.762 0 40 KJAB Cc1cccc(C(=O)NC(Nc2nc3ccc(S(C)(=O)=O)cc3s2)(C(F)(F)F)C(F)(F)F)c1 2050335 UFYJJQVURABLKL-UHFFFAOYSA-N 511.469 4.671 0 40 KJAB COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCc4ccc(Cl)cc4)CC(=O)N32)cc1 2113087 HKDTXHOIVFDXTD-LSYYVWMOSA-N 528.008 4.536 0 40 KJAB biogenic Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C1=O 2333877 XPIBMGMTTNTAFQ-IARZGTGTSA-N 540.597 4.814 0 40 KJAB COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(Cc4ccccc4)C(C)C)cc3)o2)c(OC)c1 2723519 LZSMYZLOXXIOGN-UHFFFAOYSA-N 536.610 4.605 0 40 KJAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 3220092 QTLCHLVKNDJTRO-UHFFFAOYSA-N 530.675 4.705 0 40 KJAB aggregator CCc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC(C)(C)C)c2cc(OC)c(OC)c(OC)c2)cc1 8829267 UIFGCIVUUOUJGH-SANMLTNESA-N 567.708 4.755 0 40 KJAB COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2Cc2ccccc2)cc1 9678825 XBQITILJHRCRCR-JOCHJYFZSA-N 507.999 4.658 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(Nc2ccccc2OC)c(NS(=O)(=O)c2ccc(C)cc2)c1 12656376 AOOHPAKGVQDQSR-UHFFFAOYSA-N 503.646 4.579 0 40 KJAB COc1ccc(C)cc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCCC(C)C)c1ccc(F)cc1 12712990 WWNJRTIFGWJGRL-NDEPHWFRSA-N 517.605 4.824 0 40 KJAB COc1cccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2F)c1 13030408 DZPOJIIORZUVRD-HHHXNRCGSA-N 503.578 4.516 0 40 KJAB CC(C)[C@H](c1nnnn1C(C)(C)C)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 13498778 XLVKVLNWTJRLPK-RUZDIDTESA-N 520.609 4.579 0 40 KJAB CCCCCOC(=O)CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 19940225 UWLUJJZJFOOVMN-UHFFFAOYSA-N 516.689 4.753 0 40 KJAB COc1ccc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1Cl 20233838 LBGGWAKRTMCXKV-UHFFFAOYSA-N 509.809 4.945 0 40 KJAB CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCCCC2)cc1)c1cc(Cl)c(Cl)cc1Cl 44874110 KQNZPNONJKZHCT-UHFFFAOYSA-N 518.894 4.715 0 40 KJAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 57058770 RCPZVOQRYJDRTI-OAHLLOKOSA-N 506.500 4.652 0 40 KJAB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)C(c1ccccc1)c1ccccc1 59331765 DOZSAPRKHTXGGT-UHFFFAOYSA-N 524.646 4.887 0 40 KJAB COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1)S(=O)(=O)c1ccccc1 59858666 GLUUFFMPYVHXSV-UHFFFAOYSA-N 579.700 4.947 0 40 KJAB COc1cc(/C=C(\Oc2ccc(/C=C/C(=O)NCCc3ccc(O)cc3)cc2OC)C(=O)NCCc2ccc(O)cc2)ccc1O 95627941 JCUQMHMUDDMCSX-AADBSILNSA-N 624.690 4.972 0 40 KJAB biogenic,in-vitro COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 96114234 BLPWODGCKVNVOC-QGZVFWFLSA-N 506.507 4.592 0 40 KJAB biogenic Cc1c2c(=O)n(-c3nc4ccccc4s3)n(Cc3ccccc3)c2cc(=O)n1Cc1ccc2c(c1)OCO2 97945323 JKJLNSLZSRJFEO-UHFFFAOYSA-N 522.586 4.697 0 40 KJAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 97956525 FQIFWNDLKDAYSP-HDICACEKSA-N 528.652 4.642 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OCC)c(OC)cc3Br)c(=O)n2[C@H]1c1ccc(Cl)cc1 100263391 UCRAZBDOHSRMKX-NWKGEQBZSA-N 591.911 4.622 0 40 KJAB Cc1cc(I)cnc1NC(=S)NC(=O)c1cc(Br)ccc1Cl 100370575 WASIMKUSZHNODI-UHFFFAOYSA-N 510.582 4.537 0 40 KJAB COc1ccc(Cc2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@@H]4c2ccc(OC)c(OC)c2)cc1OC 101121513 FEOQQFQTERBHPO-SANMLTNESA-N 526.549 4.741 0 40 KJAB CCN(CC)C(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)cc1 103129679 DXDWWIYHFWKWPP-UHFFFAOYSA-N 529.622 4.876 0 40 KJAB CCOc1ccc(N(CC(=O)NCCOc2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Br)cc2)cc1 103751703 OAYSDGYJWGLOQS-UHFFFAOYSA-N 561.498 4.855 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1 106276359 IORVJUVEGLZDQM-UHFFFAOYSA-N 555.700 4.824 0 40 KJAB CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCc1ccco1 108448980 AECNLIPNJZXTNL-MQUZVZANSA-N 577.678 4.599 0 40 KJAB biogenic COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(I)c(O)c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC 163284614 NKKHOCCLPMEVAD-ORVZPOCUSA-N 652.510 4.655 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 222562296 WMYKKDYZHCXCBT-DEOSSOPVSA-N 600.034 4.650 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 222664887 OAOOGCUFKFFOQU-HSZRJFAPSA-N 627.388 4.908 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1 222753431 SIULKRKDNSHBEZ-QHCPKHFHSA-N 551.709 4.531 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 223375150 DNCJXDSLEZWCNE-OAQYLSRUSA-N 572.953 4.591 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223418912 IIWGCMQXKLHWEK-IBGZPJMESA-N 600.565 4.644 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Br)cc1 223524499 PPZGKRNPBGQOIY-NRFANRHFSA-N 602.551 4.597 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 223603866 MPCGDAJLNHCAPT-QFIPXVFZSA-N 542.101 4.706 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Br)c(C)c1 223764403 ZEAJYCUXQNSRTF-AREMUKBSSA-N 539.470 4.921 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 223784794 XWSFFGLLUFMNOI-XMMPIXPASA-N 536.138 4.953 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O 223916287 SOLNVBGRDVIMOJ-XMMPIXPASA-N 572.555 4.882 0 40 KJAB COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N2CCOCC2)cc1 223925636 GUSAPGASHOBNKW-WUFINQPMSA-N 511.651 4.895 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 224020488 YHUNABJTFYQBHF-NRFANRHFSA-N 542.101 4.867 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 224172730 WDYARXCFRPKEPV-VWLOTQADSA-N 534.122 4.589 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O 224364150 ZDJPAIASFKKLMZ-INIZCTEOSA-N 578.946 4.611 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224440784 LQVUFHSRKOCFBW-FUPPJEDESA-N 534.484 4.501 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 224748210 SUUKDHWHFZFMQX-LJAQVGFWSA-N 583.726 4.918 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1CN1CCCCC1)S(=O)(=O)c1ccccc1 224809953 NGIJULSAGBBKEU-UHFFFAOYSA-N 542.101 4.846 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 224889783 KGCXSFFTDHFYEV-SFHVURJKSA-N 570.539 4.634 0 40 KJAB Cc1cccc(OCCNC(=O)c2ccc(CN(c3ccc(Br)cc3F)S(C)(=O)=O)cc2)c1 224895287 UAKDRHDRCYUIPY-UHFFFAOYSA-N 535.435 4.672 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 224895673 PASZMYLWCFUQOR-HHHXNRCGSA-N 546.067 4.881 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 225110337 QWUPZLOAMSLMRX-GDLZYMKVSA-N 565.736 4.841 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 225144669 ITFBKQNMRIVFJB-DEOSSOPVSA-N 538.085 4.501 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 225176794 JOFFESXERGTFAC-MUUNZHRXSA-N 551.709 4.533 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O 225301672 ZHEIQMWOYFWATG-QFIPXVFZSA-N 518.441 4.703 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 225572599 DNGHUMDXBXISOH-UFHPHHKVSA-N 593.746 4.684 0 40 KJAB COC(=O)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)cc1 225603868 NKFSQNRXIUEDLS-SVBPBHIXSA-N 543.624 4.799 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 225609158 NUSQBQYXYZKUNF-PXDATVDWSA-N 536.138 4.917 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCOc2ccccc21)c1ccc(C)c(Cl)c1 226058305 UUZJQRIFUPRQHA-UHFFFAOYSA-N 501.004 4.586 0 40 KJAB COc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC[C@@H]3O[C@H]21 257254187 KCCPZRZLQCBEKH-KOESTPAASA-N 574.715 4.786 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 260749074 CMUVMUITMWCGTI-OAQYLSRUSA-N 587.689 4.891 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 260774520 XOGICIUSQWSMIU-XMMPIXPASA-N 535.710 4.695 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c2ccccc2)cc1 260909138 FOAXSFPJLKGMSJ-RPWUZVMVSA-N 581.735 4.621 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 260983876 ONXCLIMRUYGAJD-DHIUTWEWSA-N 629.751 4.769 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 260991317 PZNRDSGLWWQPPH-CVEARBPZSA-N 578.946 4.753 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 261094518 URQKTVMZDYLBOA-HXUWFJFHSA-N 566.562 4.636 0 40 KJAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(C)cc1 408576476 VWBZGTWZIOCDOQ-UHFFFAOYSA-N 567.447 4.940 0 40 KJAB Cc1cc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCc4cccs4)CC3=O)cc2)ccc1Br 408579080 MKYIPJYFTRRNBN-KRWDZBQOSA-N 542.455 4.506 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(OC(C)C)c2)c2ccc(Cl)cc2)cc1OC 408623589 SBKFNZWIUYAFSN-UHFFFAOYSA-N 519.019 4.978 0 40 KJAB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3CC(C)=CC[C@H]3C2=O)cc1 408641369 KDXXQSRNOQOIQR-BEVDRBHNSA-N 515.393 4.972 0 40 KJAB CCCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408671568 ZEOHPQIDJCJWKC-WLJAODTFSA-N 563.437 4.785 0 40 KJAB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)c2)c(OC)c1 408675174 AHZQIVDCHLXFDD-LNZWSYKSSA-N 588.616 4.896 0 40 KJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 408695690 XLSJOSWKDFJQFG-UHFFFAOYSA-N 550.102 4.943 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccccc1C(=O)N1CCCCCC1 408701281 VJXNBMGEROHDGC-UHFFFAOYSA-N 513.660 4.528 0 40 KJAB O=C(CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(c1ccccc1)c1ccccc1)OCc1ccccc1 408738810 VPRSGZBQUQUWDH-SSEXGKCCSA-N 545.639 4.887 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4F)c3)c(=O)n2[C@@H]1c1cccs1 408769770 OQSXCUJQXDJPOZ-LWUPDDLQSA-N 534.634 4.578 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(C)C)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408825189 HVKIQOUFNCFTER-QTTRZTASSA-N 534.678 4.540 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3OCC)c(=O)n2[C@@H]1c1ccc(C)cc1 408833602 UDDPJUMBCFVNHV-ZRELAVNMSA-N 575.912 4.921 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4ccccc4)c(OCC)c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC 408910577 XFEYHMYGAFZREE-QYJHSCKRSA-N 671.772 4.622 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC)c(I)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408976755 SZFSSYFKSSZGNG-LJJBLSSYSA-N 744.389 4.805 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c(I)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409050566 XBEBZAMLNQSJAE-XQAWFANUSA-N 785.451 4.515 0 40 KJAB COC(=O)Cc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Sc5ccccc5)o4)c(=O)n32)cc1 409088835 KRNBCHVSAPJBMF-AZUOUTSGSA-N 588.707 4.647 0 40 KJAB O=C(COc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O)Nc1ccccc1 409349920 WOIIMQHJNIDVOR-UDWIEESQSA-N 541.507 4.796 0 40 KJAB CN(Cc1ccccc1)C(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2cnc3ccccc3c2)CCO1 585283996 GNCWILCJWATQEB-HKBQPEDESA-N 527.596 4.713 0 40 KJAB Cc1onc(C(=O)N2CCC3(CCCCc4ccccc4OCCN(Cc4ccccn4)C3)CC2)c1CN(C)C 643569100 SLSPPWRHRNYAEB-UHFFFAOYSA-N 545.728 4.970 0 40 KJAB C[C@H]1Cc2cc(CNC(=O)c3ccc4c(c3)OCCCCCNC(=O)CN(Cc3ccccc3)C4)ccc2O1 643573228 QUMAZFDQKYWAOH-QHCPKHFHSA-N 527.665 4.621 0 40 KJAB CCc1ccc(N(C(=O)c2snc(C(=O)NC3CCCCC3)c2N)[C@@H](CC)C(=O)NC2CCCC2)cc1 906614 XXADEXBZSXZVCY-QFIPXVFZSA-N 525.719 4.834 0 40 KJAB COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2ccccc2C)cc1OC 1372563 PYKHVCVSBJMNHK-WJOKGBTCSA-N 549.631 4.848 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O 1375635 WYMHXUVRKJVQKJ-DEOSSOPVSA-N 526.597 4.655 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1 1418934 OVGNZEXJZWLJGT-SSEXGKCCSA-N 567.577 4.717 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4ccccc4Cl)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 2148583 NRQTVLKIBMIFAP-CMISJSSVSA-N 589.069 4.680 0 40 KJAB CCOC(=O)c1c(NC(=O)[C@H](OC(=O)c2nn(C)c(=O)c3ccccc23)c2ccccc2)sc2c1CC[C@H](C)C2 2643233 YOMDSPJTNXRLAN-SSOJOUAXSA-N 559.644 4.833 0 40 KJAB O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Br)cc1F 3239509 PLSQCBILUGZIMJ-UHFFFAOYSA-N 541.782 4.838 0 40 KJAB CCOC(=O)c1sc(NC(=O)CSc2nc(C)nc3sc4c(c23)CCC4)c(C(=O)OCC)c1C 3267080 ZEPDLXCQVKVDNS-UHFFFAOYSA-N 519.670 4.943 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cc(=O)oc4cc(C)c(Cl)cc34)n2C)c1 3279351 BFJQRJCLNQOGSG-UHFFFAOYSA-N 533.075 4.873 0 40 KJAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)Nc1ccc(I)cc1 3313712 UYEYQDGQHGWVIM-UHFFFAOYSA-N 500.336 4.904 0 40 KJAB CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(c2cc(Cl)ccc2C)CC1 6077622 SWZARTZSANCJPK-RUZDIDTESA-N 536.080 4.542 0 40 KJAB CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCc1ccccc1)c1ccc2ncccc2c1 6135431 KEVARBOBEBKMSK-HHHXNRCGSA-N 564.671 4.639 0 40 KJAB COc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccc(OC)c(OC)c2)C[C@H]3C(F)(F)F)cc1OC 8444700 RMFCVLSGSOGMRB-IERDGZPVSA-N 506.481 4.830 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(I)cc3C)c2)cc1 10329318 ZHTMOEVIWXAHFU-UHFFFAOYSA-N 506.365 4.961 0 40 KJAB O=C(NC1CCCCCCC1)/C(=C/c1ccc(SC(=S)N2CCOCC2)o1)NC(=O)c1ccccc1 13575048 HHEFGRNXHOVRNJ-NMWGTECJSA-N 527.712 4.989 0 40 KJAB O=C1c2cc(Br)cc(Br)c2OCC1(CN1CCCCC1)CN1CCCCC1 15229106 VQHAFRSACPMVLB-UHFFFAOYSA-N 500.275 4.745 0 40 KJAB COc1cccc(NC(=O)COc2ccc(C(=O)OCC(=O)NC(c3ccccc3)c3ccccc3)cc2)c1 15980454 FOLPILMRNWIAJF-UHFFFAOYSA-N 524.573 4.775 0 40 KJAB Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1 19940951 SHZFKPGOGHBRFP-NDEPHWFRSA-N 511.674 4.544 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@H](C)c2ccc(F)cc2)cc1Cl 22536250 FLWSVESEUYDRQS-GOSISDBHSA-N 505.011 4.599 0 40 KJAB O=C(CSc1ccccn1)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CSc3ccccn3)cc2)cc1 33353855 WVHMLAUBXWOZIF-UHFFFAOYSA-N 550.687 4.771 0 40 KJAB COc1cc(-c2cc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)c3ccccc3n2)cc(OC)c1OC 38141730 UXYQLZISHHXXSY-UHFFFAOYSA-N 535.622 4.739 0 40 KJAB CCc1ccccc1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl 59671362 WTEZVVRRQIZTBC-HKUYNNGSSA-N 532.009 4.635 0 40 KJAB 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CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 222432248 IUBRLWJHEAMHAQ-NDEPHWFRSA-N 551.709 4.531 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 222432414 BYDLTTARMJMSKI-LJQANCHMSA-N 548.492 4.660 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 222636464 QDMFIGCAMLFQKK-MHZLTWQESA-N 600.579 4.690 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC)S(C)(=O)=O 222759003 WMRBGLRHVSPNJK-VWLOTQADSA-N 592.545 4.544 0 40 KJAB O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 223069217 QYXXGYNTANNPAR-OAQYLSRUSA-N 510.921 4.632 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 223155652 LKQVNVNQLBSXRF-JGCGQSQUSA-N 629.779 4.984 0 40 KJAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCCc1ccc(OC)c(OC)c1 223268573 WMMXJNYGAPINDW-HHHXNRCGSA-N 518.654 4.811 0 40 KJAB 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COc1ccc(CN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 224458425 QKGWPFNKSSHTGV-QFIPXVFZSA-N 572.127 4.733 0 40 KJAB Cc1cccc(CN(C(=O)CCCN(c2ccccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)c1 224727700 ZKHQLNGUIMXLQQ-DEOSSOPVSA-N 527.731 4.716 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)cc1 224745984 MMLAWYNHXZHPMN-NRFANRHFSA-N 578.573 4.698 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224802861 JNVIXGQLUZXIBQ-MHZLTWQESA-N 556.128 4.579 0 40 KJAB CS(=O)(=O)N(CCCC(=O)NCc1ccccc1CN1CCCCC1)c1cc(Cl)ccc1Cl 224828039 VYSRZUQHZKSFSM-UHFFFAOYSA-N 512.503 4.842 0 40 KJAB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 224887673 MDNIWZLJOYGHCI-MUUNZHRXSA-N 608.160 4.964 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 224911738 ZVVFLEWPOJBKEQ-NDEPHWFRSA-N 586.154 4.669 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224957841 GSAUKUIZHYIHNS-HNNXBMFYSA-N 568.445 4.722 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 224971219 CHSFSRRLTNOACU-AREMUKBSSA-N 578.081 4.549 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc2ccccc2c1Br 225000422 NXQNYMQFTAKORK-GOSISDBHSA-N 513.432 4.933 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 225046450 DWFFMHNRXZDTQX-VWLOTQADSA-N 534.122 4.671 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c2ccccc2)cc1 225141645 KSZAOYXOWIUGFE-UHFFFAOYSA-N 525.652 4.877 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 225165158 FXFDLLGVGQCNKC-FCHUYYIVSA-N 536.138 4.835 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 225212198 IIDVWRHJFQWOFB-INIZCTEOSA-N 593.371 4.856 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 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Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(=O)N2CCCCC2)C1 257221270 DOFNCBAVKCOROC-CVDCTZTESA-N 509.043 4.648 0 40 KJAB Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(=O)N(C)Cc2ccccc2)C1 257253417 JYWUVZXDCSUICQ-NVQXNPDNSA-N 509.050 4.567 0 40 KJAB Cc1cccc(C)c1N(CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 260822124 XFUXXOCSNIFPAS-OAQYLSRUSA-N 534.122 4.589 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 260870714 DYBHRWMOLKDTFK-XMMPIXPASA-N 553.700 4.827 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccc(F)cc1 260901082 IFLHVSTYPRXEAD-GDLZYMKVSA-N 565.711 4.681 0 40 KJAB Cc1c(Cl)cccc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O 260911847 QSUHXLWKVNMTMW-QGZVFWFLSA-N 562.947 4.911 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 260953850 KGTIHNFSJYKNEI-DWACAAAGSA-N 629.751 4.769 0 40 KJAB 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COc1ccccc1Oc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 408648215 WBZXIDKCCKFMGC-UHFFFAOYSA-N 519.554 4.737 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(SC)cc3)CC2)cc1 408680570 NOWGZQPIIOUSCH-UHFFFAOYSA-N 589.761 4.566 0 40 KJAB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Br)s4)c(=O)n32)cc1 408920301 IGTFJFDQFAMOGM-FVECTHPASA-N 549.537 4.733 0 40 KJAB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(SC)cc3)c(=O)n21 408935375 DPAZMPVPUXSQMQ-VVOOWDFBSA-N 573.534 4.680 0 40 KJAB CCOC(=O)COc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1OC(C)C)C(C(=O)OCC)=C(C)N=2 408944849 VVNFVJDZGIMQLU-CTHKJOMYSA-N 614.720 4.681 0 40 KJAB COc1ccc(-c2csc(NC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(I)cc3)n2)cc1 408991190 PLWMVZWIRVQIES-QFIPXVFZSA-N 619.506 4.952 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4c(OC)ccc5ccccc45)c(=O)n32)cc1 409033936 GMMQFHRZAGGXMH-XQNWCSQWSA-N 542.657 4.747 0 40 KJAB O=C(Cn1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c2ccccc21)NC[C@@H]1CCCO1 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4.729 0 40 KJAB CC(C)CN1CCCN(C(=O)CC(C)(C)CC(=O)O)Cc2cc(F)ccc2N(C(=O)c2cccnc2)CCC1 643572660 LVXAYIMZKVDFLP-UHFFFAOYSA-N 540.680 4.839 0 40 KJAB C[C@H](COc1ccccc1Oc1cccc(F)c1)NC(=O)[C@@H]1CCC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1 643580791 UYBBUCQGNFLLIC-WHODAWOQSA-N 696.776 4.659 0 40 KJAB CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C 1775937517 YPBVTVZTYUUOCC-PYHIYFCPSA-N 893.088 4.752 0 40 KJAB COc1cccc(S(=O)(=O)NC(=O)c2ccc3c(c2)CN(Cc2cccnc2)CCCCCCCN3C(C)=O)c1 2037931546 FZSDXSMEXARWHR-UHFFFAOYSA-N 564.708 4.528 0 40 KJAB Cc1ccccc1-n1nc(C)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)sc21 2428374 RDOZNRIZFFISQF-UHFFFAOYSA-N 515.060 4.504 0 40 KJAB aggregator O=C(CSC1=N/C(=C\c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1)Nc1ccc2c(c1)OCO2 3329275 KHFNKZVVGVGXQN-WQRHYEAKSA-N 513.478 4.725 0 40 KJAB COc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N[C@@H]3CCCc4ccccc43)c2)cc1OC 3405727 DZJKUNBVYWCEBL-HSZRJFAPSA-N 529.058 4.686 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\[C@H]3C=CC(OCc4ccccc4)=C(Br)C3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 8444603 JXGOBIMOWARABQ-SBQKQXJRSA-N 635.536 4.878 0 40 KJAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN1C(=O)N[C@](CC)(c2ccc(F)cc2)C1=O 8671260 PYAHKFKIRPNECN-AREMUKBSSA-N 509.559 4.527 0 40 KJAB COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2Cc2ccccc2)cc1 9137131 LVKZNSKQVBYTAR-QFIPXVFZSA-N 507.999 4.658 0 40 KJAB Cc1ccc([C@H](C(=O)NCc2ccc3c(c2)OCO3)N(C(=O)c2ccc3c(c2)OCCO3)C2CCCC2)cc1 13496065 WNCFJJHUBOWYEH-GDLZYMKVSA-N 528.605 4.937 0 40 KJAB O=S(=O)(c1cccc(-c2cs/c(=N\c3ccccc3)n2CCc2ccccc2)c1)N1CCOCC1 13751449 VLSXKAPYEXGODM-DQSJHHFOSA-N 505.665 4.713 0 40 KJAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cc2)C1 16043717 JCAJLJLCESYGQP-PMACEKPBSA-N 507.660 4.590 0 40 KJAB Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)n1 20177579 OYMKFCHJOMTNJN-UHFFFAOYSA-N 530.698 4.991 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1C 59887187 PLHDAGCWNKLFBY-UHFFFAOYSA-N 549.674 4.938 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)cc2)c1 60028261 XCSKDHOUISKUNL-RUZDIDTESA-N 569.749 4.717 0 40 KJAB COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](CC(C)C)C(=O)O)C(=O)N32)c1 70704940 AAQMEKVMBSHQSI-WGHVJBFBSA-N 580.641 4.889 0 40 KJAB biogenic CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)sc2c1CC(C)(C)NC2(C)C 97963599 SFVOHKDJSDMREG-UHFFFAOYSA-N 547.743 4.757 0 40 KJAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 97979248 PNGSJBLOWAGILV-DGDHCUKTSA-N 532.600 4.832 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)NCCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 98001565 KKBLHMCMZJLIKU-UHFFFAOYSA-N 749.695 4.724 0 40 KJAB O=C(NCCc1ccccc1)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 100095982 RLAQOYMHNSZWKU-MUUNZHRXSA-N 576.074 4.908 0 40 KJAB CC(C)[C@H](c1nnnn1C1CCCCC1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 100387723 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CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 222697730 TWPRPOGGXNBBGI-QHCPKHFHSA-N 542.529 4.726 0 40 KJAB CC(C)CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 222800683 NSHXKHSVIASZED-JOCHJYFZSA-N 548.149 4.637 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 223032276 LCOGOGPHUPDATO-DEOSSOPVSA-N 565.736 4.839 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223062567 CUZNDRFDJYLSPA-LJQANCHMSA-N 652.995 4.868 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1 223093676 VXOHGJOLFOBJDM-MFMCTBQISA-N 612.192 4.506 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223139209 VYJMOVAOMSRZBY-HHHXNRCGSA-N 551.709 4.613 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223168064 UTUCVDXEYINOTH-MRXNPFEDSA-N 548.920 4.746 0 40 KJAB 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CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223736932 CXJHVNGEXKLRRK-YTTGMZPUSA-N 615.752 4.675 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 223761399 SCEMDBWZTUIYKQ-LJAQVGFWSA-N 600.181 4.979 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Cl)cc1 223791558 MNXHTSVOTRISSE-FQEVSTJZSA-N 576.090 4.627 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 223865318 QVZCDQMBZFGUQK-FQEVSTJZSA-N 546.064 4.618 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 223988621 CZMXCGWRGHWISX-MRXNPFEDSA-N 560.931 4.889 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 224037008 HMUPYMLOYFKTKT-LJAQVGFWSA-N 549.737 4.544 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 224041111 QLEXUHHAKRMQPN-MHZLTWQESA-N 600.579 4.690 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 224049742 JCUMRHASLUIGML-VWLOTQADSA-N 577.747 4.983 0 40 KJAB CC(C)Oc1ccc(CCCNS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1 224141699 NUNLQZQLWGYPQP-UHFFFAOYSA-N 529.471 4.796 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)COc1ccc(I)cc1 224277663 MYBIVQZMAPEARD-QHCPKHFHSA-N 534.438 4.845 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 224314202 WOBTWJFCDRSOMF-SANMLTNESA-N 542.101 4.787 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 224358585 HJKORUYSVRNYGK-VWLOTQADSA-N 579.616 4.983 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 224527140 UVOBGJFDECMFBX-SANMLTNESA-N 602.153 4.804 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 225159664 NNVZTIZLHJJROK-KRWDZBQOSA-N 558.503 4.765 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 225160959 GSZZEITXDVFBPL-KRWDZBQOSA-N 558.503 4.765 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 225209907 FBODEHPQRJOSTL-SFHVURJKSA-N 584.964 4.735 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)cc1Cl 225233842 KWDRBFIHVQPKSG-JWQCQUIFSA-N 519.030 4.683 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 225270253 HMOKESFVYHCTKC-MUUNZHRXSA-N 587.689 4.892 0 40 KJAB COC(=O)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(C)=O)c2)cc1 225333411 NCFZBWBAEXXNRO-SVBPBHIXSA-N 541.633 4.803 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 225392287 UZLODNBTWMMTTG-NDEPHWFRSA-N 565.736 4.841 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1Cl 225516042 OBHDBNOSAFOXEM-QFIPXVFZSA-N 515.835 4.867 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2cccnc2)c1C 225661260 LMYCCWYEGMXMBC-URLMMPGGSA-N 540.693 4.953 0 40 KJAB 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0 40 KJAB Cc1cc(Cl)ccc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O 260717289 FTGJEPKYNDDHJX-MRXNPFEDSA-N 548.920 4.663 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c2ccccc2)cc1 260754625 BQCVUXDROPLQGZ-RUZDIDTESA-N 577.747 4.799 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 260890007 CSWWPDSBAPQIKS-JWQCQUIFSA-N 595.762 4.930 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 260906934 FJZUYUKCUSHLTI-CUBQBAPOSA-N 595.762 4.930 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@H](C)c3ccc4c(c3)CCC4)Oc3ccc(Cl)cc32)cc1 260920014 FFNSXAQAAZZNFO-QUGAMOGWSA-N 527.042 4.671 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 260931672 HTBRVITZHDRVRA-RPBOFIJWSA-N 565.736 4.839 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 260958057 KSUZKPYOKZAGIQ-ZCYQVOJMSA-N 565.736 4.839 0 40 KJAB 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O=C(Cn1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c2ccccc21)NCc1ccco1 409149006 VRWZQGNNCMFGRX-IWIPYMOSSA-N 501.564 4.666 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409173272 OLKVMWVACRJETC-SQRDCTCHSA-N 669.825 4.667 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc(Br)c1OCc1ccccn1 409270136 FZKGWHGNLXHGJC-FYJGNVAPSA-N 560.470 4.727 0 40 KJAB O=C(Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 409274074 UUFUTYBLLIDQLC-QDTIIGTASA-N 594.649 4.630 0 40 KJAB CCCc1cc(C(=O)N2CCC[C@@]3(C[C@H](OCC(C)C)CN(Cc4ccc(Cl)cc4)C3=O)C2)on1 2037873517 SIOKPKSMDJCBTB-WNCULLNHSA-N 502.055 4.977 0 40 KJAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)N(c1ccccc1)S(C)(=O)=O 1098530 UFLZJTVOSCFADZ-OAHLLOKOSA-N 542.466 4.587 0 40 KJAB Fc1ccccc1[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1349876 RLJNFVZSTSGQSL-VWLOTQADSA-N 540.521 4.520 0 40 KJAB Cc1cc(C)nc(SCC(=O)N(Cc2ccccc2C)[C@@H](C(=O)Nc2ccc3c(c2)OCO3)C(C)C)n1 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CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N(Cc3ccc(OC)cc3)C[C@@H]3CCCO3)cc2c1 6198192 FGIKKIGQUTURAN-LITSAYRRSA-N 542.684 4.971 0 40 KJAB CCCNC(=O)c1ccc(N2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)[C@@H](c4cccc(OC)c4)N3C2=O)cc1 8790645 PXDKMPOHSKIUHR-AHKZPQOWSA-N 508.578 4.799 0 40 KJAB biogenic COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4Cl)c(=O)n32)cc1 9367747 CDVLUGDGVMRLFU-ZMIGGIFCSA-N 516.022 4.536 0 40 KJAB CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NCCc2ccccc2)CC1 9473380 RXQNPXLTQIFRGX-KHRZNOOSSA-N 534.726 4.569 0 40 KJAB COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2cc(C)on2)c2ccc(F)cc2)cc1 12492646 WELYTNBSGQYKAB-VWLOTQADSA-N 510.566 4.539 0 40 KJAB CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccccc1Cl)Cc1cc2cc(C)ccc2[nH]c1=O 13494910 WAJVGKFDWHDGGY-DHLKQENFSA-N 507.038 4.809 0 40 KJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)cc2)c1 14359951 XDFDGWBKBADUHI-QPUVPPAHSA-N 524.683 4.982 0 40 KJAB CCN(c1ccc(OCC(=O)N[C@@H](C)c2cccc(Br)c2)cc1)S(=O)(=O)c1ccccc1 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4.909 0 40 KJAB O=C(c1cc(S(=O)(=O)Nc2ccccc2F)c(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1 102955729 KXJFSDNJTXEEQS-UHFFFAOYSA-N 522.429 4.891 0 40 KJAB O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12 103510745 JKBZMRPCRFBGNU-CWBXHPNXSA-N 534.797 4.864 0 40 KJAB COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@@H]3CC(=O)N(c4ccc(C(=O)O)cc4)C3=O)c2)cc2c1OCO2 150484639 CRJBRFRTXNVGNL-QJLIDPEZSA-N 665.680 4.956 0 40 KJAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 216216871 FSYZJEMSLBHALL-UHFFFAOYSA-N 629.720 4.934 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 222419603 NXMRDSJAKYRLOQ-MHZLTWQESA-N 565.736 4.839 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 222586594 KLZISDGWDZDBMO-DEOSSOPVSA-N 536.138 4.736 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 222785140 LTFOFIXDSRMVPV-LJAQVGFWSA-N 567.727 4.639 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 222833511 YRQXATLIIZVCRJ-SFHVURJKSA-N 598.043 4.726 0 40 KJAB COc1cccc(N(CCCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 222938617 QPARWKYNMFJFOX-SFHVURJKSA-N 572.555 4.880 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 223514322 IXBOLFLIICFIKS-NRFANRHFSA-N 572.525 4.506 0 40 KJAB COc1cccc(OCCNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)c1 223537979 GFRWAZXIPXKHSL-UHFFFAOYSA-N 542.963 4.758 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223564554 LAPSAMDFJYRKBE-OAQYLSRUSA-N 546.492 4.621 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 223733607 PNNBZGBUZQTKNF-QHCPKHFHSA-N 549.693 4.721 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223839519 HPULTQJZJUVWDK-HSZRJFAPSA-N 600.565 4.992 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223926555 GSSKVLZFRGOVPG-LJQANCHMSA-N 578.518 4.751 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 224151420 KINMHXNFVZCFKC-VWLOTQADSA-N 565.736 4.697 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl 224170851 BRUVVZJVYSWQDL-SANMLTNESA-N 586.154 4.669 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 224192384 GSUANAFZXTVAHW-LJAQVGFWSA-N 565.736 4.841 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 224751524 XGSURBNNTFZFKO-NDEPHWFRSA-N 505.618 4.965 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224829342 NPPHULWDPIOXPL-MHZLTWQESA-N 556.128 4.579 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C)S(=O)(=O)c2ccc(Br)cc2)cc1 225031833 LWRZEKKPSRJBPQ-UHFFFAOYSA-N 576.494 4.595 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(I)cc1 225164705 MTXUUCHRZLBHKH-JKSUJKDBSA-N 528.818 4.655 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 225229258 USUYGUWUPJBTAG-LEWJYISDSA-N 573.662 4.501 0 40 KJAB Cc1ccc(N(CC(=O)NCC2(c3ccccc3)CCOCC2)S(=O)(=O)c2ccccc2)cc1Cl 225242486 NHFSSKGRNDLXLW-UHFFFAOYSA-N 513.059 4.708 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 225242966 SODGENATULVUNG-MRXNPFEDSA-N 593.371 4.856 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 225442299 LCPNILVLHIUCLQ-NDEPHWFRSA-N 570.155 4.971 0 40 KJAB COC(=O)c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)o1 225470415 PQLQTGSYADKVMS-UIOOFZCWSA-N 562.673 4.985 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 225626986 GNQSJJMRZRNGKX-OPAMFIHVSA-N 546.492 4.621 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 225696677 GPESIAPQEYVJAI-QFIPXVFZSA-N 616.578 4.843 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 225701156 RBBBFDBSTIUREH-HHHXNRCGSA-N 521.683 4.522 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 225719659 AWHAFKCLVKETSB-NRFANRHFSA-N 662.578 4.744 0 40 KJAB COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@@H](C(=O)c3ccc(Cl)cc3)[C@@H]2C1=O 247808137 BAFBBVDTECOYKN-ZYQDXHPFSA-N 512.949 4.525 0 40 KJAB CC(=O)Oc1cccc2c1N1[C@H](C=C2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]1C(=O)c1ccccc1 253487915 TXWBUKOFJYRADF-KBQHCZQWSA-N 512.949 4.538 0 40 KJAB CN1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CN(Cc3cccn3-c3ccccc3Cl)CCO2)CC1 257219566 DHGNOXWIHFPKPI-GDLZYMKVSA-N 557.522 4.598 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1C 260757926 CQWWYZXXLBADJP-HSZRJFAPSA-N 545.721 4.855 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1 260794988 OJZRODCFHVFNOW-XMMPIXPASA-N 563.720 4.675 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccccc3CN3CCCCC3)Oc3ccc(Cl)cc32)cc1 260892647 BQIHFLZLFHTPTK-MUUNZHRXSA-N 570.111 4.607 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 260917990 SEYCTNCUJBUMPT-RUZDIDTESA-N 535.710 4.688 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 260937121 IESLYKLBCTYYTO-FTJBHMTQSA-N 609.789 4.890 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)cc1 260941382 OJXAUBZZBHCVBY-WJOKGBTCSA-N 593.790 4.962 0 40 KJAB COc1cccc(CN(C(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 261040974 YXSZNPJUTRGXID-SSEXGKCCSA-N 591.774 4.777 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 261061528 NVPMRYXXOHWIOO-YZNIXAGQSA-N 563.764 4.951 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2cccc(OC)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)cc1 261089074 SSHANEOSHRWCHJ-WJOKGBTCSA-N 609.789 4.662 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 408551216 MLOYKXSLIYWIEG-YDZHTSKRSA-N 602.507 4.832 0 40 KJAB CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)c1 408559933 NNFGXHBHHKNHKW-UHFFFAOYSA-N 507.431 4.989 0 40 KJAB Cc1cc(Br)ccc1NC(=O)c1cc2cc(Cl)ccc2n1NC(=O)C(=O)NCCCOC(C)C 408577754 JHESNMIPDTZPMR-UHFFFAOYSA-N 549.853 4.619 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)CCc2ccccc2)c2cc(Cl)ccc2OC)cc1OC 408613996 ZMOKJGBGGYAPSQ-LJQANCHMSA-N 547.073 4.699 0 40 KJAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)Nc1ccc(Br)cc1 408626273 VRLUPGLIQGOMFT-UHFFFAOYSA-N 515.429 4.917 0 40 KJAB COc1ccccc1NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408669939 XQOBQYIECSLJOH-QEIZMNAYSA-N 521.400 4.615 0 40 KJAB C[C@H](C(=O)OCC(=O)Nc1ccc(Br)cc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408676028 CNOCGKQUBRSZRD-DVHJPKBHSA-N 593.861 4.865 0 40 KJAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCSCc2c(Cl)cccc2Cl)CC1 408680592 NXVGBRLVQGVUDX-UHFFFAOYSA-N 515.528 4.893 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408734806 KBOBVQGPYZMFIL-JUTHHCEFSA-N 621.937 4.717 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3OC)c(=O)n2[C@@H]1c1ccc(C)cc1 408821142 CVZCQXRZOUAJCU-XQJRBFNUSA-N 561.885 4.531 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c(Cl)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408832937 SGTPPDZACCMIRY-FJWZAKCXSA-N 531.461 4.892 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(C)C)cc3)c(=O)n2[C@@H]1c1cccs1 408915665 QLAUNVAOCSJGAE-LMTOTAIGSA-N 530.671 4.784 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408934320 BYIVJMVOBKNYGB-RISWYLRJSA-N 643.556 4.672 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 408945270 NSFIYZKUKNBWJQ-DKOMQPSQSA-N 599.448 4.682 0 40 KJAB CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc(I)c1O 408949371 LKWVHXPUDZIMDJ-YOURIZNBSA-N 713.388 4.667 0 40 KJAB CCOc1cc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=S)N2CC(=O)OC)ccc1OCc1ccccc1 409060954 XHDGTVJGSVOZMS-JLPGSUDCSA-N 532.618 4.821 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)o3)c2=O)=N1 409104440 ZRZUFOTVVZWWLI-TYYSXUNWSA-N 627.144 4.789 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(C)cc3)n2CC)sc(C(C)=O)c1C 409138297 ZZPYNRCABRGUEK-INIZCTEOSA-N 557.698 4.577 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c2=O)=N1 409154488 ORAFRMRNVKPMFI-ZRXICNQRSA-N 639.774 4.742 0 40 KJAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cc(I)c(O)c(I)c2)C1=O 409165080 SCRMRNBIBNHBKW-OVCLIPMQSA-N 634.233 4.893 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)c(Br)cc1O 409166981 GUAODDKAYDSCQU-IDUWFGFVSA-N 511.781 4.882 0 40 KJAB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\SC(=O)N(CC(=O)c4ccccc4)C3=O)cc2)cc1 409222776 CQJVJSDZDLEUFD-IWIPYMOSSA-N 514.559 4.710 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409230797 GSFNFJYRWNIUKM-OEAKJJBVSA-N 684.487 4.556 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(I)c1OCc1ccccc1 409242514 VKDKDNFBGMFZAZ-HYARGMPZSA-N 627.435 4.809 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCC(C)CC4)o3)c(=O)n2[C@H]1c1ccccc1 409271708 LHDMZRPPBOJMTM-XMYFTLFESA-N 553.684 4.765 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Sc4nccc(C)n4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 409276134 OAZMSCSXGPMIRS-XPCGLTFESA-N 671.595 4.811 0 40 KJAB CCc1cc(Br)cc(C)c1NC(=O)CSC(Nc1ccc(C)c(C)c1)=C1C(=O)N(C)C(=O)N(C)C1=O 409385759 KAPSAACVQQSAAO-UHFFFAOYSA-N 573.513 4.983 0 40 KJAB COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4\C(=O)N(Cc5ccc(Cl)cc5)c5ccccc54)c(=O)n32)c1 409387270 ICROPPCBPHLWHX-AJASBIQKSA-N 644.149 4.774 0 40 KJAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N[C@H](C)COc2ccc(F)cc2Oc2ccc(C)cc2)CC(=O)N[C@H](CC(C)C)C1=O 643550972 OFOPWPJDFFILQQ-TZFWCWEWSA-N 676.786 4.770 0 40 KJAB CCOC(=O)/C(F)=C(\C(N)=O)[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2OC(C)(C)O[C@H]12 2049251916 MAECBNGGLFJGBR-KFJHSCGSSA-N 575.633 4.555 0 40 KJAB CCOc1ccc(CCn2c3c(c(=O)[nH]c2=O)C(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)N3)cc1OCC 720570 NTTNJIZFJMODFA-UHFFFAOYSA-N 570.490 4.769 0 40 KJAB COc1ccc(CCNC(=S)N(Cc2cccnc2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1OC 875451 VHSSPCZKWFQLCG-UHFFFAOYSA-N 516.667 4.677 0 40 KJAB Cc1cccc(N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1C 903760 PAHQSRILWCJQLJ-NAKRPHOHSA-N 577.060 4.819 0 40 KJAB COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2)cc1OC 906139 FRHBAVVTGQFPTQ-SSEXGKCCSA-N 541.652 4.980 0 40 KJAB CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)cc(OCC)c1OCC 997751 YQMGQWQZWWICRD-UHFFFAOYSA-N 536.610 4.879 0 40 KJAB COc1cc2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)Nc3ccccc3F)c(=O)[nH]c2cc1OC 1335803 YJRDENCFDQNYLC-UHFFFAOYSA-N 505.502 4.647 0 40 KJAB CC[C@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn12)C(=O)Nc1ccccc1OC 2969248 MMKFJJGGCCKLKZ-QHCPKHFHSA-N 515.643 4.852 0 40 KJAB Cc1ccccc1-n1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccc(C(C)(C)C)cc1 3273624 YLUZVBRIEUDQNF-UHFFFAOYSA-N 535.695 4.918 0 40 KJAB COc1ccccc1-c1nc2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@H](C)O4)c(=O)n2n1 3637434 WEASEGIMEOSBIU-JXYIUTTOSA-N 533.613 4.550 0 40 KJAB COc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCCC2 12887036 LXSBXNBDXOZFEV-IBGZPJMESA-N 525.598 4.885 0 40 KJAB biogenic CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1 13024278 IFHHTJDTBGKSEC-AREMUKBSSA-N 503.578 4.658 0 40 KJAB O=C(COC(=O)c1ccccc1SCC(=O)N1CCCC1)c1ccc(NC(=O)c2ccccc2)cc1 13027427 XCEGDYLAVNXLNC-UHFFFAOYSA-N 502.592 4.693 0 40 KJAB COc1ccc([C@H](C(=O)NCCC(C)C)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1 13030618 QOFUFPUHDLBBEL-MUUNZHRXSA-N 517.605 4.511 0 40 KJAB CCOc1ccccc1CCCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 13671400 NRPWOQKXXMIHSB-UHFFFAOYSA-N 517.047 4.692 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc(COc3ccccc3OC)o2)sc2c1CCCC2 19928420 AVUYKJFYHSONDY-UHFFFAOYSA-N 503.602 4.505 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N(Cc3cccs3)C[C@@H]3CCCO3)cc2c1 19972986 NGFVLSZXURICSW-GBXCKJPGSA-N 506.676 4.664 0 40 KJAB Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(Br)cc2)cc1 20020049 XZZZWXYIMAZOMO-KRWDZBQOSA-N 503.418 4.815 0 40 KJAB COc1ccccc1NC(=O)CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 20057852 TUPJSZPYOAFVQN-UHFFFAOYSA-N 521.668 4.694 0 40 KJAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1 22232496 CMYASQAAWBZAIZ-UHFFFAOYSA-N 511.402 4.794 0 40 KJAB CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N12)C(=O)Nc1cccc(OC)c1 29749195 SZGGTOHBUUVFOD-WUFINQPMSA-N 610.740 4.543 0 40 KJAB Cc1ccccc1N(CC(=O)NCc1ccc(CN2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 44871637 DHVINWIEVDIBNM-UHFFFAOYSA-N 512.075 4.756 0 40 KJAB COC(=O)c1cc2cc(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(OC)c(C)c3)ccc2s1 59836321 ANUMJFOWFMMAGX-UHFFFAOYSA-N 538.647 4.835 0 40 KJAB COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 97945748 FEXYLERWKUBYMJ-UHFFFAOYSA-N 536.028 4.723 0 40 KJAB O=C(c1ccco1)N1CCN([C@H](c2ccc(Br)cc2)c2sc3nc(-c4ccco4)nn3c2O)CC1 97992535 AIEZZGONHWZOCT-LJQANCHMSA-N 554.426 4.659 0 40 KJAB CC(=O)Nc1ccc(N(C(=O)CSCC(=O)Nc2cc(C)on2)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1 100285523 CYZBXIHQEZCXBT-MHZLTWQESA-N 583.736 4.898 0 40 KJAB COC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cc(OC)c(OC)c(OC)c2)cc1 100358294 LYBXLYFVEZRDDE-VWLOTQADSA-N 536.581 4.539 0 40 KJAB COc1ccc([C@@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)c(OC)c1 100363138 JHIVBKMBETUDCX-HKBQPEDESA-N 549.631 4.535 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1OC)N(C(=O)CCC(=O)Nc1cc(C)on1)c1ccc(F)cc1 100416041 SSKFZEDXVACETL-SANMLTNESA-N 554.619 4.937 0 40 KJAB Cc1ccc(C)c(N2CCN(C(=O)CCc3nnc4n(Cc5ccccc5Cl)c(=O)c5ccccc5n34)CC2)c1 101532466 GOBQEKOJSJEXGB-UHFFFAOYSA-N 555.082 4.644 0 40 KJAB CCOC(=O)c1cc(NC(=O)COC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc(C(=O)OCC)c1 103130484 MRFNNUAADGBRAT-UHFFFAOYSA-N 557.555 4.917 0 40 KJAB CS(=O)(=O)N1CCN(c2ccccc2NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)CC1 105310280 UYGGCAUFPQOCNE-VQHVLOKHSA-N 579.531 4.861 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3nccs3)c(=O)cc1[C@@H](NC(C)=O)CC2 108449211 SVQCQRDYVJNZFH-QFIPXVFZSA-N 580.707 4.931 0 40 KJAB biogenic CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OC)c(=O)n2[C@H]1c1cccc(OC)c1 111469516 WLPZGJSYMCINEI-VEOZPNHKSA-N 605.510 4.715 0 40 KJAB O=S(=O)(c1ccc(OC[C@@H](O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1)c1ccc(OC[C@H](O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1 150421585 VRRVNGGSHYFJJE-CMNOWRBXSA-N 767.005 4.661 0 40 KJAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)cc1Cl 216006337 VNMSBALZCBDNNG-QFIPXVFZSA-N 535.405 4.765 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(C)cc2)c2cc(Cl)ccc2OC)cc1OC 216259448 VMQRNEUOZVMWMC-UHFFFAOYSA-N 533.046 4.528 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(I)cc1 222547550 IYOHJWAFLSJAOM-FQEVSTJZSA-N 528.818 4.655 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 222789986 ZYMLZUFDAIOATQ-NRFANRHFSA-N 602.153 4.885 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 222912625 HTRKNCYNYQNVPY-MUUNZHRXSA-N 553.700 4.704 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 222973920 ZXAJEINIEXIBFI-VWLOTQADSA-N 542.101 4.706 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 223041697 LHXRCNGNYZODTJ-LJQANCHMSA-N 622.969 4.860 0 40 KJAB CC[C@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)CCCC2 223050253 DHFLEUNZOABFGV-SANMLTNESA-N 538.641 4.939 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 223237080 VUAHYPVSWREPTE-WJOKGBTCSA-N 591.774 4.579 0 40 KJAB COCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl 223389196 OXHIJUIJCLCXMY-VWLOTQADSA-N 501.410 4.905 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 223554975 XHYKYNGCRYEFNL-QFIPXVFZSA-N 542.529 4.790 0 40 KJAB COc1ccc(CN(C(=O)COc2ccccc2)[C@@H](C(=O)NCCCOC(C)C)c2ccccc2)cc1 223574413 DMYCSCFWDJFKDD-GDLZYMKVSA-N 504.627 4.775 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223700168 YNTFNLPTGIADGD-LJAQVGFWSA-N 579.763 4.796 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223724915 GPMZSKQWCXYHHK-QFIPXVFZSA-N 542.529 4.792 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 223734931 WYVHQQJHYDTUEX-YTTGMZPUSA-N 599.753 4.975 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223949715 NDLHNTIQIDGZOQ-INIZCTEOSA-N 578.946 4.755 0 40 KJAB COc1ccc(CN(C(=O)COc2ccc(Br)c(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 224066053 WHSUUKNPTLGYRB-GOSISDBHSA-N 503.437 4.621 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 224151412 KYSKRYPLAGUMSQ-SFHVURJKSA-N 586.980 4.981 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 224212991 LCBYCAMXJJPBFK-MUUNZHRXSA-N 570.155 4.889 0 40 KJAB Cc1ccc(C)c(N(CCCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 224230576 FJKSNMCLRYZTOB-QFIPXVFZSA-N 536.138 4.693 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 224306728 XISJKHVLCGGOFV-HSZRJFAPSA-N 558.503 4.765 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 224401267 AYJGZTDXXBCHAD-AREMUKBSSA-N 574.118 4.800 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 224434793 HVNGPKITIXYGJJ-QHCPKHFHSA-N 576.493 4.904 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 224503666 RADRSUIZRYBTFV-QFIPXVFZSA-N 546.492 4.622 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 224560015 OBDCKBNSCXEFGJ-SANMLTNESA-N 564.148 4.761 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 224626679 INRIYSPWSSNRRK-NRFANRHFSA-N 560.091 4.925 0 40 KJAB COc1ccc(N(CC(=O)NCc2cccc(CN3CCCCC3)c2)S(=O)(=O)c2ccccc2)cc1Cl 224649880 NTIHRRVBMGRPCF-UHFFFAOYSA-N 542.101 4.846 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 224660259 CEVJMYIVXRDJPN-HXUWFJFHSA-N 548.149 4.880 0 40 KJAB O=C(NCc1cccc(CN2CCCCC2)c1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 224674355 VHRIPPJGUKSJMS-MHZLTWQESA-N 540.085 4.599 0 40 KJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225061586 BQCYOELROBFVLC-IBGZPJMESA-N 542.529 4.526 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 225184555 DXTCOMCPTVWLCF-DEOSSOPVSA-N 553.700 4.971 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 225341446 UNJPJGGHGHFLSF-SSEXGKCCSA-N 635.783 4.918 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 225392187 KCOINTPCZKAGRG-NDEPHWFRSA-N 565.736 4.841 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 225419708 JZQPLERHTRZPSA-SFHVURJKSA-N 566.482 4.800 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 225573554 WSGNOBWKECVXPD-BKMJKUGQSA-N 529.747 4.781 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 225578321 WCVXWSJVVITZLF-FQEVSTJZSA-N 576.090 4.625 0 40 KJAB Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)O)cc2)c1 225653374 MIPRKUMAGISDTM-SXOMAYOGSA-N 525.634 4.880 0 40 KJAB CCOC(=O)C1(c2ccc(NC(=O)c3ccc4c(c3)CCN4S(=O)(=O)c3ccc(C)cc3)cc2)CC1 225846424 HPPQVINIAZAXNS-UHFFFAOYSA-N 504.608 4.593 0 40 KJAB CCc1ccc2nc(O)c([C@@H](c3nnnn3C3CCCC3)N(Cc3cccnc3)C[C@H]3CCCO3)cc2c1 253498959 IPJXWOBUIJHZFG-SQHAQQRYSA-N 513.646 4.770 0 40 KJAB CC1(C)CCC2(CCN(CC(=O)Nc3ccc4c(c3)CCCC4)CC2)CN1S(=O)(=O)c1ccccc1 257225440 FGEZLJQSKZCJJW-UHFFFAOYSA-N 509.716 4.849 0 40 KJAB CC1(C)CCC2(CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)CN1S(=O)(=O)c1ccccc1 257331465 XSZOWRYHFFQEBL-UHFFFAOYSA-N 523.621 4.989 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 260769120 GKKPOXPMHVGRGU-LJQANCHMSA-N 584.566 4.943 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 260847084 CPIUNGYRFWXPIG-SSEXGKCCSA-N 597.753 4.935 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccc(C)cc2)cc1 260878515 BSOAPMWDKDCLKC-LOSJGSFVSA-N 595.762 4.930 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 260894195 DFVNQYHJUDLCGU-CVEARBPZSA-N 548.920 4.745 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 260900806 DVCCKJZYTICRIO-ZEQRLZLVSA-N 581.735 4.540 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1 260902499 OXEXFTUKACPNQT-XMMPIXPASA-N 565.736 4.642 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cc(Cl)c(Cl)cc1Cl 408546786 VUTFZMIWXBONNX-UHFFFAOYSA-N 580.874 4.991 0 40 KJAB COc1ccc(N(CC(=O)N2CCN(c3cccc(C)c3C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408617190 ILNDGKPIXGBCMS-UHFFFAOYSA-N 542.101 4.818 0 40 KJAB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)cc1 408640987 BWWPGNLELKYWTD-BGXPRYDISA-N 515.393 4.828 0 40 KJAB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)c1 408643556 GFRWLCBFQXNEGT-LNYGVPGBSA-N 587.028 4.839 0 40 KJAB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 408648742 KDVMXTQRWGQHIQ-JVPBZIDWSA-N 503.382 4.806 0 40 KJAB CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 408652426 CQWKAZKABIDZOI-KRWDZBQOSA-N 521.397 4.875 0 40 KJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 408691301 ZGPAURXVHIHBJP-CALCHBBNSA-N 531.790 4.662 0 40 KJAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5cc(C)ccc5C4=C[C@H](c4ccc5c(c4)OCO5)[C@@H]3C2=O)cc1 408730002 DAPNZIMZZWWCAC-SZHXJAFASA-N 523.541 4.644 0 40 KJAB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(SC)cc4)c(=O)n32)c1 408769303 MNGKNVGAOHCYTE-SJJVXOANSA-N 527.671 4.604 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3OC(C)C)c(=O)n2[C@@H]1c1ccc(F)cc1 408798026 DMFRYLFLYJCTRA-ZYSRDMNZSA-N 542.632 4.862 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3cc(C)n(C)c3C)c2=O)=N1 408859682 OWTJTYGMCHWCJH-OCEWKHMESA-N 505.684 4.657 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OC)c(=O)n2[C@H]1c1ccc(OCC)cc1 408975113 HQZFJUJOODKKJQ-AFHVAHMMSA-N 636.362 4.731 0 40 KJAB COc1ccc(Cl)cc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 408990281 WRTLTOPJHUJJHO-UHFFFAOYSA-N 537.863 4.983 0 40 KJAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 409022161 HBQMBOYWDDTMMT-FSJBWODESA-N 607.461 4.623 0 40 KJAB CCCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc1Cl 409030776 FPANZMUBSUCTMD-FBHQFGEZSA-N 531.461 4.894 0 40 KJAB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)cc(Cl)c1OC 409108438 UBGMYMHLKIEQJP-WLGHQHAYSA-N 574.530 4.818 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(Br)cc1OCc1ccc(C)cc1 409123046 DKPIAHIJNLRWSW-DJKKODMXSA-N 506.374 4.856 0 40 KJAB COC(=O)Cn1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c2cc(Br)ccc21 409141163 HDHSDBCGCLGPMC-UWVJOHFNSA-N 503.349 4.952 0 40 KJAB COC(=O)Cn1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c2cc(Br)ccc21 409147600 VJNPHTZPHFZWQB-JAIQZWGSSA-N 515.385 4.692 0 40 KJAB CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc1OC 409155369 QYBBEJCGYKCMBD-ZDLGFXPLSA-N 583.844 4.728 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C 409161768 ZFTXNETUVCVQBG-OYKKKHCWSA-N 549.580 4.835 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 409222734 DIRRNAQASUKOLK-XSFVSMFZSA-N 596.443 4.780 0 40 KJAB CCOc1cc([C@H]2CC(=O)N=C3N=CNN32)cc(Br)c1OCc1c(Cl)cccc1Cl 409382255 ZMKPWXSXHOIHNV-MRXNPFEDSA-N 512.191 4.910 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c(=O)cc1[C@@H](NC(C)=O)CC2 524729014 YTDDVWXBEALMNF-FPVOPXTESA-N 635.802 4.843 0 40 KJAB biogenic CC(=O)N1CCCN(C(C)C)CCN(C(=O)c2ccc(OCCN3CCCCC3)cc2)Cc2ccc(F)cc21 643558518 OWYGPIUBSUGGLV-UHFFFAOYSA-N 538.708 4.800 0 40 KJAB Cc1nc(C)n(CCC(=O)N2CCN(Cc3ccccc3)CCCN(C(=O)C3CC3)c3cc(Cl)ccc3C2)n1 643567668 OSGRUCJCCJJSHF-UHFFFAOYSA-N 549.119 4.616 0 40 KJAB CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N23)cc1 2968652 KVDJMZBDGVIXIL-SQHAQQRYSA-N 597.697 4.793 0 40 KJAB O=C(Nc1cccc(C2=NCCN2)c1)c1ccc(OCCCOc2ccc(C(=O)Nc3cccc(C4=NCCN4)c3)cc2)cc1 4720923 XKJVRTOOMABXKC-UHFFFAOYSA-N 602.695 4.739 0 40 KJAB C[C@H]1CC(=O)c2c(cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@@H](C)CC6=O)c(O)cc(O)c3c2O)O1 5328058 JGQBYBXYRUCBQY-UWVGGRQHSA-N 518.474 4.601 0 40 KJAB biogenic,investigational O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCCC1)N(Cc1cccnc1)Cc1ccco1)OCO3 6445117 PIQKOYJBXBMFFS-HHHXNRCGSA-N 539.596 4.528 0 40 KJAB Cc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccc(Br)cc2)o1 8614096 HIYOUWYQRCENKK-UHFFFAOYSA-N 545.415 4.596 0 40 KJAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(N(C(=O)c2cnccn2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 8686614 CLYUQUIAELURQL-FNZWTVRRSA-N 567.737 4.548 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(SCc4ccccc4)nn32)cc1OC 9781151 JKBMMXMISPAPHS-DEOSSOPVSA-N 514.611 4.910 0 40 KJAB COc1ccc(C)cc1N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@H](CC(C)C)C(=O)NC(C)(C)C 12476744 YIOSQCSIQNKABV-JOCHJYFZSA-N 527.069 4.673 0 40 KJAB 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CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCC)c(Br)c2)C1=O 409018990 ZVQBGDCMQBWIMF-TVNQGELYSA-N 507.200 4.598 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4cccc(F)c4)c(OC)c3)c2=O)=N1 409050572 XDSPLUQKPTUQSR-ASZNLBCTSA-N 558.631 4.525 0 40 KJAB O=C(Nc1ccc(I)cc1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 409065504 SVPXIHGWAZFBJA-UHFFFAOYSA-N 513.173 4.545 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)CC1 409142485 AEFBBRJNLWWZIU-UHFFFAOYSA-N 518.466 4.846 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc(Br)c1OCC(=O)OC 409151664 BTTOIERBUVJQJF-ODLFYWEKSA-N 577.453 4.691 0 40 KJAB CCOc1cc(C(=S)N2CCN(CC)CC2)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 409270740 HWULQQIUUZYCEJ-UHFFFAOYSA-N 534.520 4.795 0 40 KJAB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc(Br)c(Cl)c3)n2C)c1 409357552 IURXMFJGCUVYRF-CYBMUJFWSA-N 522.856 4.761 0 40 KJAB Cc1ccc(CNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)Nc3cccc(Cl)c3Cl)c2=O)cc1 585148570 MIUASFUEHGUWQC-UHFFFAOYSA-N 553.446 4.514 0 40 KJAB CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]([C@H]2c3ccccc3CN(C(=O)OC(C)(C)C)[C@H]2C(=O)O)[C@H]1C(=O)O 601014300 DCGTZJZLZKKPEH-WAPCQROESA-N 552.624 4.962 0 40 KJAB CN1CCCCN(C(=O)CCn2ccnc2)CCCCOc2ccc(Cl)cc2C(=O)N(C)[C@@H](Cc2ccccc2)C1=O 643558839 GLYSMXKCCAEKIU-NDEPHWFRSA-N 594.156 4.550 0 40 KJAB CC(=O)N1CCCCCCN(C)C(=O)c2cc(S(=O)(=O)NCc3ccccc3Cl)ccc2OC[C@@H]1C(C)C 643582606 QIBVTHLMTYHMAX-AREMUKBSSA-N 564.148 4.716 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1Br 658917 KNWWEQPTBHIDSG-UHFFFAOYSA-N 531.837 4.713 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC3CCCCC3)c3ccc(C)o3)n2)cc1 888440 BYNUVXSTWGJSJY-AREMUKBSSA-N 548.669 4.531 0 40 KJAB CC[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(OC)cc2)cc1 933166 MQACOCXKDPHQKO-IBGZPJMESA-N 537.103 4.817 0 40 KJAB CC(C)C[C@@H](C(=O)O)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 938092 CJYNFBNGCWLKLL-YFKPBYRVSA-N 576.861 4.832 0 40 KJAB COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4Cl)CC(=O)N32)cc(OC)c1OC 2117949 WNVBSENCDNHGSA-FIPFOOKPSA-N 546.023 4.732 0 40 KJAB biogenic Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCCC4)c3)cc2)c1C 3215363 NUXXDQQRGWZJCG-UHFFFAOYSA-N 567.089 4.563 0 40 KJAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c2ccccc21 3332083 UBUOTZFGWWAUCD-UHFFFAOYSA-N 528.586 4.957 0 40 KJAB COc1ccccc1N1CCN(C(=O)c2ccccc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 6183012 KRTZWOGTDTZBHV-UHFFFAOYSA-N 507.656 4.692 0 40 KJAB COc1ccccc1N1CCN(C(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)CC1 8450510 TVIGXJCGELRAPM-UHFFFAOYSA-N 548.492 4.542 0 40 KJAB COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)Cn3nnc4ccccc43)CCCC2)c(OC)c1 8713597 VUOWRZONWYSYKE-UHFFFAOYSA-N 531.588 4.568 0 40 KJAB C[C@H](CNC(=O)CCc1nnc2n(Cc3ccccc3Cl)c(=O)c3ccccc3n12)c1ccccc1 9831541 BFNUMFLALIKUKJ-LJQANCHMSA-N 500.002 4.598 0 40 KJAB COc1ccc(-c2csc(NC(=O)CSc3nnc4c(C)cc5cc6c(cc5n34)OCO6)n2)cc1 12470463 GERMPJNUXLBCOW-UHFFFAOYSA-N 505.581 4.783 0 40 KJAB O=C(CSc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3)NC12CC3CC(CC(C3)C1)C2 13027843 DUMQBXVYFVOYDP-UHFFFAOYSA-N 512.745 4.579 0 40 KJAB O=S(=O)(CCCCCCCCS(=O)(=O)Nc1cc(Cl)ccc1O)Nc1cc(Cl)ccc1O 16385195 YVMGGPARJJTISX-UHFFFAOYSA-N 525.476 4.929 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cccc(Br)c3)cc2)cc1 20020375 PZACLCOQXFIELK-MRXNPFEDSA-N 519.417 4.515 0 40 KJAB CC(C)c1ccc(NC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)C(C)C)cc1 26771602 LZWHFSAJCZFROC-DQEYMECFSA-N 542.721 4.527 0 40 KJAB biogenic COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N(Cc3cccnc3)Cc3ccco3)cc2c1 57608803 OBRXIXQGWKODMC-HHHXNRCGSA-N 525.613 4.808 0 40 KJAB CC(=O)Oc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 59567726 UTWDBYKDKLEAOQ-QPJBPQEWSA-N 513.018 4.897 0 40 KJAB COc1ccc([C@H](C)NC(=O)c2cc(OC)c(OC)cc2N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 59930993 HLHBQNGMCLKSEU-KRWDZBQOSA-N 533.046 4.823 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)S(=O)(=O)c1ccc(Cl)cc1 60060656 DKXAINGDWKYZIK-UHFFFAOYSA-N 528.030 4.700 0 40 KJAB Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3C(=O)NC[C@H]3CCCO3)C(=O)N21 70700182 URTSUOQWJTVIGT-MSLDTUSLSA-N 534.616 4.868 0 40 KJAB biogenic COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(I)c(O)c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 97962530 QJHKAATZGJDDCG-JAYSWQADSA-N 622.484 4.646 0 40 KJAB COc1ccc([C@H](C(=O)NCCC(C)C)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1OC 100366412 FMEPYJJKMQJAPG-GDLZYMKVSA-N 547.631 4.520 0 40 KJAB O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2ccc(I)cc2)sc2nc3ccccc3n12 102553791 IXJVFQQGEXPDNZ-HMAPJEAMSA-N 546.393 4.914 0 40 KJAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 103067250 PBAQXDGPTOSRKT-UHFFFAOYSA-N 523.061 4.894 0 40 KJAB COc1ccc(CNC(=O)[C@@H](Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)C(C)C)cc1 108448112 DGFPMQGJNKIBAD-HVNZXBJASA-N 603.716 4.625 0 40 KJAB biogenic Nc1ccccc1S[C@@H]1CC(=O)N(c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)C1=O 113628786 BHGBQCCHSLBVPS-OAQYLSRUSA-N 544.416 4.795 0 40 KJAB O=c1/c(=C/c2cc(Br)ccc2O)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 197320362 LADFJKCXCOJZKP-LWUPDDLQSA-N 515.432 4.787 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCNc3ccnc4cc(Cl)ccc34)CC2)cc1Cl 222603220 BWEYBRZDGRGVSY-UHFFFAOYSA-N 565.523 4.959 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 222621765 JEMNOPGAIQCMMV-HHHXNRCGSA-N 596.149 4.677 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 222632548 BWIXHCWKACVREO-OAQYLSRUSA-N 586.552 4.976 0 40 KJAB CC[C@H](NC(=O)c1ccc(CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1)c1ccc(OC)c(C)c1 222666888 UKPPODBZAZZYDD-DEOSSOPVSA-N 513.635 4.837 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 222776016 BYPXESIFVLOAIS-NDEPHWFRSA-N 611.736 4.513 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 222791033 SOALNXOMGMECOA-IBGZPJMESA-N 578.518 4.669 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(C)cc1 222814942 KTIIYDQTCGGDQY-IBGZPJMESA-N 578.518 4.669 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223136801 AHUQBIYQDDNZLS-HXUWFJFHSA-N 548.920 4.746 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 223487961 KKVDBFDAARDQBN-QHCPKHFHSA-N 567.708 4.587 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCc1ccc2c(c1)OCCO2 223588261 BFQYSXUODUCQGS-RUZDIDTESA-N 551.481 4.929 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 223789314 PRRQOXAZPUYGOG-VWLOTQADSA-N 552.137 4.619 0 40 KJAB COc1ccccc1N(CC(=O)Nc1nnc(-c2ccc(C)cc2)s1)S(=O)(=O)c1ccc(C)cc1 223841624 WFEWBJGOSUZBGD-UHFFFAOYSA-N 508.625 4.665 0 40 KJAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 224069887 XMJMEQLTYAAXHV-QFIPXVFZSA-N 616.578 4.557 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)[C@@H](C)C(=O)NCC(C)C 224114865 NBBWZRPRJROCFU-VWLOTQADSA-N 535.710 4.688 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 224125281 HKEZZGZHRCJKRW-GDLZYMKVSA-N 549.737 4.544 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 224135884 DUYCNOXXASRSSN-HHHXNRCGSA-N 574.118 4.720 0 40 KJAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1OC 224163905 DNSZQOYNKZUOAJ-MOHJPFBDSA-N 521.639 4.648 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 224228894 KMBCCYYJEVJZCK-MHZLTWQESA-N 535.710 4.751 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)c1cc(Cl)cc(Cl)c1 224337507 WCFQDYYRICXNGP-UHFFFAOYSA-N 626.584 4.553 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 224348047 OHWQSSCKAPRRSQ-JOCHJYFZSA-N 542.529 4.792 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1C 224365328 CPRPXGOYMXPWED-IBGZPJMESA-N 542.529 4.566 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 224435412 ZFHUIGMPABNGPF-SANMLTNESA-N 618.569 4.909 0 40 KJAB CCOc1ccc(N(Cc2ccc(C(=O)NCc3cccc(CN4CCCC4)c3)cc2)S(C)(=O)=O)cc1 224634395 RTQMIZTWAIFILW-UHFFFAOYSA-N 521.683 4.577 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224657377 CQAYGPWDIZCPDW-OAQYLSRUSA-N 630.138 4.922 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 224780047 KETSFJOQSOHFMW-QFIPXVFZSA-N 542.101 4.787 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 224804679 VPYNXDCFWWORAP-XMMPIXPASA-N 556.556 4.974 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 224867227 HRUIFUDJYCEKGE-NRFANRHFSA-N 560.091 4.926 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccc(F)cc2)cc1 224993364 BJBALSITUPEBRU-GOTSBHOMSA-N 569.699 4.752 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1 225044482 HBUVVOQAVQQZMK-MHZLTWQESA-N 606.572 4.933 0 40 KJAB COc1ccccc1N(CCCC(=O)NCCSCc1ccc(Cl)cc1Cl)S(C)(=O)=O 225051855 VIWLUYRMQPJLKV-UHFFFAOYSA-N 505.489 4.598 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 225125566 GVAWACIWYWWYLT-AREMUKBSSA-N 557.757 4.806 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225128438 BYARDXJFZHMNOY-DEOSSOPVSA-N 522.111 4.528 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 225179136 YWJCMKFSUFZYQL-MHZLTWQESA-N 565.736 4.841 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)cc1 225227462 GYJRKPURSISXFS-CLJLJLNGSA-N 572.599 4.500 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225241373 GCOFGWPZMFCSMZ-RBUKOAKNSA-N 559.626 4.723 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225268721 PLQYBXZVFYTDKI-AREMUKBSSA-N 603.688 4.511 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(=O)OC)c2)cc1C 225284654 IQTSNYSJQLOTEC-IZLXSDGUSA-N 555.660 4.729 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 225444538 CJVDSVRBYSRQBC-HHHXNRCGSA-N 574.118 4.802 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 225445287 BWGJAMBKAYOKJG-GOSISDBHSA-N 623.367 4.570 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 225560486 RDUNOPNGUAJFOB-YTTGMZPUSA-N 659.805 4.992 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 225656612 QXJDHPCXZJDHJB-GBXCKJPGSA-N 539.673 4.990 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(Cl)cc1 225674372 PMFPULQENHUIFJ-QFIPXVFZSA-N 602.153 4.885 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 225713196 RLNJLNLSPOTRMD-HTAPYJJXSA-N 586.538 4.600 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225729043 RBSOKJYWZWQNMB-MUUNZHRXSA-N 595.762 4.848 0 40 KJAB Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 226085584 LLEUUHBOAWUHJV-UHFFFAOYSA-N 503.418 4.562 0 40 KJAB CCOc1ccc2nc(NC(=O)CN3CCC[C@@]4(C3)CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](CC(C)C)CO4)sc2c1 257303680 SIFZUNNVMCHFCI-YUDQIZAISA-N 600.807 4.912 0 40 KJAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(C)cc(Br)cc3C)C2)cc1Cl 260715327 NFPMYAYMUZVQNE-HNNXBMFYSA-N 515.857 4.767 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)c1 260730569 JWNJLSGTJYLLBG-JOCHJYFZSA-N 602.153 4.803 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)Cc2ccc(Cl)cc2)cc1 260830660 PJHTUMIMISXZNQ-WJOKGBTCSA-N 618.155 4.992 0 40 KJAB 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512.393 4.680 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)c2ccc(Br)cc2)cc1 19930828 FKKRBOMHLRDGLZ-WZONZLPQSA-N 501.446 4.525 0 40 KJAB CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)sc2c1CC(C)(C)NC2(C)C 97963598 SUEZXKCHWVWCRA-QGZVFWFLSA-N 547.743 4.900 0 40 KJAB CCN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CC2)[C@H]1CCS(=O)(=O)C1 97979806 YGPIRUDWRAJDKL-UMADGWCESA-N 557.043 4.707 0 40 KJAB COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)COC(=O)/C=C/c2cnc3ccccc3n2)cc1OC 97980103 ASGYGJXOAXYMET-XDQZKXAQSA-N 528.590 4.643 0 40 KJAB COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)CNC(=O)c2cccs2)c2cccc(Cl)c2)cc1OC 100414595 BKJYOKFSLWFYQH-DEOSSOPVSA-N 544.073 4.838 0 40 KJAB O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 101139064 CSQSRUHFHGIYAE-AUAHOFGGSA-N 514.537 4.967 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccccc4)c3)c(=O)n2[C@H]1c1ccc(F)cc1 103784469 YVLARONLCDYTRV-CSJROMOCSA-N 528.605 4.516 0 40 KJAB 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CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(I)c(OC(C)C)c(I)c3)c2=O)=N1 409050682 YNHZPSFNMSTWDH-WVWKGNOCSA-N 714.363 4.795 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409086913 BTJKURBNVRKWCU-NWKGEQBZSA-N 636.362 4.731 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@H]1c1ccccc1OC 409104862 IYASQTWVNINIKO-RMNLPTLGSA-N 567.711 4.691 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409106751 UEBXPAGAKYVKMV-YJADQXIJSA-N 574.928 4.528 0 40 KJAB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 409119299 SQRCDDWEOXYXLW-UHFFFAOYSA-N 504.439 4.538 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)ccc1OCc1ccc(I)cc1 409128919 LHIMCKHLQGBETL-DEDYPNTBSA-N 539.391 4.952 0 40 KJAB CCOc1c(I)cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1I 409231062 HZWFLDWVJYKZMY-LICLKQGHSA-N 588.183 4.696 0 40 KJAB COc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409265335 HQOJCQXPCXZUOH-HZPDHXFCSA-N 507.450 4.568 0 40 KJAB CCc1nccn1CCCOc1ccc(CN2CCC(O)(COc3cccc(Cl)c3)CC2)cc1OC 585271209 LMDJUGWNBOEKKK-UHFFFAOYSA-N 514.066 4.983 0 40 KJAB CCOc1ccccc1CN1CCCN(C(C)=O)c2ccccc2CN(C(=O)COc2ccc3c(c2)OCCO3)CC1 643559869 GFRAMUBKNCWQSP-UHFFFAOYSA-N 573.690 4.523 0 40 KJAB Cc1cnccc1C(=O)N1CCOc2ccc(-c3cccnc3)cc2Cc2cccc(c2)C(=O)N(C)CC1 643567501 IGFZXVMQNRHOTR-UHFFFAOYSA-N 506.606 4.650 0 40 KJAB CC(=O)N1CCCCCCCN(Cc2cccnc2)Cc2cc(C(=O)NS(=O)(=O)c3ccccc3)ccc21 2037931604 ZBNQRWXGSDCLBM-UHFFFAOYSA-N 534.682 4.520 0 40 KJAB CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1 921179 IBRITWOJXMVMPU-LJAQVGFWSA-N 527.625 4.759 0 40 KJAB Cc1cc(C)cc(N(C(=O)[C@H]2COc3ccccc3O2)[C@H](C(=O)NC2CCCCC2)c2cn(C)nc2C)c1 931350 WPQNPVROFHOFLK-IZLXSDGUSA-N 516.642 4.709 0 40 KJAB CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O 1374583 GOJVCDDNMUGQNU-LJAQVGFWSA-N 538.652 4.928 0 40 KJAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 3031894 UJVORUMUKASGRS-UHFFFAOYSA-N 508.402 4.896 0 40 KJAB C[C@@H]1CCc2c(sc3nc(CSc4nnc5n(-c6ccccc6)c(=O)c6ccccc6n45)[nH]c(=O)c23)C1 3379124 SSLSXBXRKLPZBH-OAHLLOKOSA-N 526.647 4.749 0 40 KJAB CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2)c1 5948416 ULYASNJEGZLTAL-UHFFFAOYSA-N 546.693 4.882 0 40 KJAB COc1cccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)[C@@H](C(=O)NC(C)(C)C)c2ccc(Cl)cc2)c1 6074468 MBZVEGYMFMGGMR-RUZDIDTESA-N 551.022 4.830 0 40 KJAB CC(C)c1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 6190804 PALLOTOFRIIHHR-DEOSSOPVSA-N 537.661 4.924 0 40 KJAB Cc1nc(-c2ccccc2Br)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)COc2ccccc2)n1 8623129 JNZSZKZETMPPDJ-MZKRTTBSSA-N 521.459 4.588 0 40 KJAB biogenic,in-vitro COc1ccc(-c2nc3c(c(SCC(=O)N(C)c4ccccc4)n2)Cc2c(CO)cnc(C)c2O3)cc1 9116211 BNERGRQAFDTMIW-UHFFFAOYSA-N 514.607 4.800 0 40 KJAB COc1ccc(CN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1 9170991 UEFCNVWWCSESHN-QHCPKHFHSA-N 510.015 4.888 0 40 KJAB CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3ccc(C)cc3)C2)c1 9380971 MJAUATCNMCRATN-DEOSSOPVSA-N 518.060 4.950 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1C 10442483 RNWZXQYQDMFJDC-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB COc1cc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(C(F)(F)F)c3)c3ccccc32)cc(OC)c1OC 12418485 OGLZJNPPAOJMSN-SANMLTNESA-N 515.484 4.739 0 40 KJAB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)c1C 12532807 CKRZVLDDCDXAGO-UHFFFAOYSA-N 516.019 4.746 0 40 KJAB COc1cc(C(=O)COC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)ccc1OC(F)F 13095210 OHIYAVLSUPSMDB-IBGZPJMESA-N 504.313 4.784 0 40 KJAB CC1=C[C@@H]([C@@H]2CC(=O)N(Cc3ccccc3Cl)C2=O)C[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 15188106 QRQWFOADMVZXEL-ZBNTXBBCSA-N 511.405 4.636 0 40 KJAB COC(=O)c1c(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)sc2c1CCC2 20418918 GALVJSZVODVDGB-UHFFFAOYSA-N 501.655 4.942 0 40 KJAB CC[C@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 20459339 OFSFFCQHADAPAZ-QFIPXVFZSA-N 503.020 4.820 0 40 KJAB Cc1ccc([C@H](NC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)c2ccccc2)cc1 22512680 DSSUQORDEWLDAW-FQLXRVMXSA-N 512.631 4.998 0 40 KJAB CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)cc1OC 40033089 ZIAWHVFUQZQBSO-LAUBZIAYSA-N 524.642 4.735 0 40 KJAB COc1cccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2ccc(C)cc2C)c1 41124372 VOAJHCVJYMOXIV-UHFFFAOYSA-N 527.650 4.504 0 40 KJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 59886622 VNVNNYJVQODJQQ-UHFFFAOYSA-N 537.663 4.662 0 40 KJAB CCOC(=O)c1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 67889502 UVHIWXBWBQIWHJ-FQEVSTJZSA-N 542.474 4.867 0 40 KJAB biogenic,in-vitro CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccc(C)cc1 70699083 NMODYODRCDDUFF-LQYFPWRPSA-N 534.660 4.794 0 40 KJAB biogenic COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@H]4c2cc(OC)c(OC)c(OC)c2)cc1 85877319 JFVVQUNXJXHPDR-KRWDZBQOSA-N 504.491 4.641 0 40 KJAB biogenic O=C(COC(=O)c1ccccc1NCCc1ccc(Cl)cc1)NC(=O)NC12CC3CC(CC(C3)C1)C2 95944748 PYOJREMMKXLDBF-UHFFFAOYSA-N 510.034 4.946 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(Cc3ccc(F)cc3)C2=S)cc1 97952009 KFCJOTYDIZLILC-XMMPIXPASA-N 535.597 4.542 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCc3ccccc3F)C2=S)cc1 97995484 UDQHWDKNVGFPAQ-DEOSSOPVSA-N 537.588 4.715 0 40 KJAB CCc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)N4N=C(c5ccc(Br)cc5)C[C@H]4c4ccccc4)[C@H]3C2=O)cc1 98046027 ZVDPUOPDUMAJCJ-WYMJOSIYSA-N 585.462 4.683 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCc2cccc(C)c2)c2cc(Cl)ccc2OC)cc1OC 100075310 ZBKQJTAYIYCKOP-UHFFFAOYSA-N 547.073 4.619 0 40 KJAB O=C(NCCSCc1cccc(Cl)c1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 100092794 NNTGESHRVVAPAH-QHCPKHFHSA-N 537.490 4.999 0 40 KJAB CCOc1ccccc1N(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC(C)(C)CC)c1cccc(OC)c1 100413957 OSGYIBYBYMLEOU-SANMLTNESA-N 537.682 4.965 0 40 KJAB O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(=O)n(-c3ccccc3)c(=O)n(Cc3ccc(F)cc3Cl)c2c1 101432427 CQNCOXSGRRZBIE-UHFFFAOYSA-N 557.965 4.652 0 40 KJAB CCOC(=O)c1c(NC(=O)[C@@H]2SC(NC)=C(C(=O)Nc3ccc(OC)c(Cl)c3)C2=N)sc2c1CCCC2 102928104 HCWWJBLWCXYNHB-HXUWFJFHSA-N 563.101 4.609 0 40 KJAB C/C=C(/C)C(=O)O[C@@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc(OC)c(OC)c2OC)C[C@H](C)[C@@]1(C)O 111956549 RHABJANPSGWEFC-CYWLPARBSA-N 530.614 4.899 0 40 KJAB biogenic,in-vitro CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 222453787 FCLMSJRAJDQWJM-GDLZYMKVSA-N 606.144 4.930 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 222809173 NWBIGPZAJKQSJX-HHHXNRCGSA-N 581.735 4.540 0 40 KJAB CSc1nnc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)s1 222812553 DDEXOCXZVFYPJS-UHFFFAOYSA-N 512.638 4.886 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 222867608 JEESJLSWCZNPLL-QFIPXVFZSA-N 539.673 4.661 0 40 KJAB CC(C)CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223040434 PHPFZCGHHVOBAE-HKBQPEDESA-N 575.775 4.862 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 223055491 DINAZEGPFZEAKQ-HXUWFJFHSA-N 590.515 4.645 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 223058525 GTBGVTYNLUIGKV-OAQYLSRUSA-N 602.551 4.515 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223158082 XBYIDXRQVDQAOM-AREMUKBSSA-N 599.725 4.760 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 223246632 BPVOUBWNCVUWHH-QHCPKHFHSA-N 566.482 4.881 0 40 KJAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223537211 YSFKDURJJMJWLA-RUZDIDTESA-N 625.788 4.674 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 223702657 RCYBRPCJAFLNOU-XMMPIXPASA-N 550.165 4.959 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)cc1 223760686 JETZEEWLDNNYFU-VWLOTQADSA-N 547.721 4.975 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 223778937 RIGMEGPYCHPQFO-FQEVSTJZSA-N 546.064 4.536 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1cc(OC)cc(OC)c1 223998733 OSVKVVXFWBIANC-KPURRNSFSA-N 534.653 4.646 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(I)cc1 224015990 FEDFTEOHTYRXQR-RUZDIDTESA-N 556.444 4.836 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224202525 HLDFGNGSFIRFAN-MUUNZHRXSA-N 611.761 4.550 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 224264884 HHMUOZXSWZNXNC-FQEVSTJZSA-N 536.138 4.593 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 224573679 SIZZSUGTVXPLIO-NDEPHWFRSA-N 565.736 4.759 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224575804 ZAPSJVFNVOALJA-NDEPHWFRSA-N 611.736 4.680 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)C)c2ccc(F)cc2)cc1 224630384 RRZXZXZXFWQWEL-FQEVSTJZSA-N 576.090 4.625 0 40 KJAB CC[C@H](C(=O)NCc1ccccc1CN1CCCCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224845381 GKIGMLXYHQRKFK-JOCHJYFZSA-N 512.503 4.840 0 40 KJAB Cc1ccc(OCCNC(=O)CCCN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1C 224847682 GQHNWFMRCRSGNH-UHFFFAOYSA-N 506.974 4.717 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 224883775 UZLCQNPLYKGGMH-SANMLTNESA-N 576.546 4.924 0 40 KJAB CN(CCCC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 224960335 GMGSZHOYCVXEAN-PMERELPUSA-N 579.738 4.925 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 225076001 ZRMGZFHZUKJXDP-FGZHOGPDSA-N 521.683 4.769 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)O)o2)cc1 225226449 PEERZWFJEMSDER-IZZNHLLZSA-N 528.590 4.802 0 40 KJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3nccs3)c2C)cc1NS(C)(=O)=O 225473744 HKKUACUQMJIFML-XZOQPEGZSA-N 554.723 4.503 0 40 KJAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225532046 FWOZBUZUFHDBEQ-MRXNPFEDSA-N 505.464 4.583 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 260730536 JQISRENPZGADTH-HSZRJFAPSA-N 539.673 4.580 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 260759843 FVARRAMPEKWLEB-MRXNPFEDSA-N 590.957 4.898 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)c2ccccc2C)cc1 260819663 XGENKLNNJKLDJU-HSZRJFAPSA-N 553.700 4.970 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C 260887805 KKAMBYRJAKHMPG-JOCHJYFZSA-N 536.138 4.693 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC)S(C)(=O)=O 261123376 ZQZQGLMYLBCNEN-RNAHPLFWSA-N 563.764 4.878 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1 408583766 JUZQSCPZOZTYOM-QGZVFWFLSA-N 513.443 4.990 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)c2ccc(Cl)cc2)cc1 408615443 ADZBVRWTVIHOKE-UHFFFAOYSA-N 565.051 4.508 0 40 KJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 408628143 UWKKGPQEVYZBPO-UHFFFAOYSA-N 544.471 4.811 0 40 KJAB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)c4ccccc4C3=O)cc2)cc1 408640857 JBBDMUPSLDIKPU-UHFFFAOYSA-N 589.025 4.952 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1C(=O)N1CCCCC1 408693050 CWYCVCBTRSBZSX-UHFFFAOYSA-N 557.694 4.540 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1C 408695191 MTOSNQPIFRMSMR-UHFFFAOYSA-N 550.102 4.943 0 40 KJAB CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 408850356 MACXFGVKPFYFBO-QYTZQGLJSA-N 539.657 4.671 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 408989937 UQBUHQDFDADCQK-FOYGFLCZSA-N 569.502 4.784 0 40 KJAB COc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC 409008737 DGGWDHHJVBSGEV-UHFFFAOYSA-N 523.438 4.883 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(C)C)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409024752 VZLODKFMLZQTKL-RGDUZTMSSA-N 556.684 4.995 0 40 KJAB CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3nc(-c4ccccc4)c(C)s3)n2C)cc1 409166531 FETMBPOWWDXNCI-QGZVFWFLSA-N 550.710 4.624 0 40 KJAB CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2CC)cc1 409170729 XIUBHBRBWGZSMN-QGZVFWFLSA-N 516.067 4.637 0 40 KJAB COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4\C(=O)N(Cc5ccccc5Cl)c5ccccc54)c(=O)n32)c1 409389712 RKYLLKDAFQRUJH-AJASBIQKSA-N 644.149 4.774 0 40 KJAB COc1cc(CN2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCn1ccnc1C 585272847 XOSBBHDRLLUDNA-UHFFFAOYSA-N 520.457 4.992 0 40 KJAB CN1CCCCCN(S(=O)(=O)c2ccccc2F)[C@H](Cc2ccccc2)COc2ccccc2C1=O 618017101 FOPZZGCZXMSJEH-HSZRJFAPSA-N 510.631 4.763 0 40 KJAB O=C(Nc1nc2ccccc2n1CCN1CCCCC1)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Br)n1)(C3)C2 696092 STDAPKGDHURKNT-YDXVBCDDSA-N 552.521 4.810 0 40 KJAB CCCc1nc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c2c(C)c(C)sc2n1 1377181 JFRNXNQARPGTIH-UHFFFAOYSA-N 509.495 4.534 0 40 KJAB COc1cc(/C=C/C(=O)Nc2cc(C)nn2-c2ccc(F)cc2F)cc(S(=O)(=O)N2CCc3ccccc32)c1OC 2638241 MVMGIAVHHZYJIW-DHZHZOJOSA-N 580.613 4.879 0 40 KJAB CCOc1ccccc1N1C(=O)[C@H]2C3C=CC(c4ccccc4)([C@H]2C1=O)[C@H]1C(=O)N(c2ccccc2OCC)C(=O)[C@H]31 6631506 YHXQNOBAAZOIFD-CNRGJTTDSA-N 562.622 4.533 0 40 KJAB C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(NC(=O)c4ccccc4)cc3)c2)C[C@@H](C)O1 8450087 OEPNSDDWNOXKGO-QZTJIDSGSA-N 528.030 4.643 0 40 KJAB Cc1cc(NC(=O)c2ccc(CN(c3ccccc3F)S(=O)(=O)N(C)C)cc2)ccc1Br 9694833 QHNDNOZRQLHYND-UHFFFAOYSA-N 520.424 4.962 0 40 KJAB Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2cccc(Cl)c2)Cc2ccco2)cc1 11916672 XXFFOWKIYIFDIY-UHFFFAOYSA-N 511.003 4.894 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3cccc4ccccc34)[C@H](C(=O)NC(C)(C)C)c3ccco3)n2)o1 12478215 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4.854 0 40 KJAB COc1ccc(OC)c(Nc2nc(Cn3c(C)nc4ccccc4c3=O)nc(Nc3ccc(C)cc3)n2)c1 1054057 LUKWFKDJHIVARA-UHFFFAOYSA-N 509.570 4.751 0 40 KJAB CC(C)[C@H]1Cc2c(sc3c2c(=O)n(CCc2ccccc2)c2nnc(SCC(=O)NCc4ccccc4)n32)CO1 1278984 YFCYCBBGXLYTKM-HSZRJFAPSA-N 573.744 4.854 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 3671267 PDIPLURHQJIBSN-ZGOFBEGVSA-N 556.640 4.880 0 40 KJAB Cc1cccc(C)c1NC(=O)C1(N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccc(O)cc2)CCCCC1 4017218 MWACPDJSTWKVOW-UHFFFAOYSA-N 525.605 4.980 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccccc3F)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 4196099 FRTRJGZPHFRRNU-PKYOQBLNSA-N 588.657 4.534 0 40 KJAB CCCCc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCCCC3)c3ccccc23)cc1 9519798 NXVJRMREGOOEAJ-UHFFFAOYSA-N 509.672 4.799 0 40 KJAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 9601625 ZWDIXFZDFWGTOM-UHFFFAOYSA-N 504.355 4.800 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2F)c2cc(C)cc(C)c2)cc1 10280762 PQYABCQAKIHZDX-UHFFFAOYSA-N 500.661 4.996 0 40 KJAB Cc1cc2oc(=O)cc(CSc3nc4ccccc4c(=O)n3CCCN3CCOCC3)c2cc1C(C)C 12539136 GJDAXEDOMSPCBK-UHFFFAOYSA-N 519.667 4.949 0 40 KJAB CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccccc2F)cc1 13028715 ISSHREOZNTWJJC-GDLZYMKVSA-N 527.600 4.996 0 40 KJAB CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 13065221 PUNDEXWHTCQALH-AHWVRZQESA-N 500.647 4.506 0 40 KJAB Cc1ccc(N(C(=O)CCC(=O)Nc2nccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(O)cc2)cc1 13501685 MKUDGZXDWGBAOV-RUZDIDTESA-N 506.628 4.709 0 40 KJAB Cc1cc(NC(=O)CSc2nc(O)c3c(n2)CCN(Cc2ccc(F)cc2)C3)ccc1Br 21810351 NVRSLLXPZIFQAL-UHFFFAOYSA-N 517.424 4.681 0 40 KJAB COc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2C)C(C)C)cc1 33757718 YWZDVWUEKGQKQT-HXUWFJFHSA-N 522.458 4.988 0 40 KJAB Cc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N(Cc3ccccc3)Cc3ccco3)c(=O)[nH]c2cc1C 57608745 FCPBXEMKADSEDT-NAKRPHOHSA-N 524.625 4.695 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)c(C)c1 59882237 PKXLWBITVMJWLK-UHFFFAOYSA-N 556.493 4.816 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCCOc3ccc(C)c(C)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 97959145 JUDNDYRMSSTWLX-FATJQOLTSA-N 628.747 4.890 0 40 KJAB CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2Cc2ccc(OC)cc2)c1 97995828 YHROBXIFRIIUCS-DEOSSOPVSA-N 535.984 4.892 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2Cc2ccc(N3CCCC3=O)cc2)cc1 98005204 GQRBENKMCXXCFG-NDEPHWFRSA-N 642.734 4.698 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCCOc4ccc(C)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 100270593 VCBFWUMDVGUUEQ-ITNAUSPISA-N 614.720 4.582 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)cc1 100276086 FLKNEGOYCXVVOH-RUZDIDTESA-N 551.047 4.588 0 40 KJAB COc1ccc(CCN(C(=O)Cn2nnc(-c3ccccc3F)n2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1OC 100276830 NHRNYQQKXDTGRG-HKBQPEDESA-N 618.685 4.897 0 40 KJAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc3n(Cc4c(F)cccc4Cl)c4ccccc4n23)cc1 100449304 SZWBNVASCBHJQS-UHFFFAOYSA-N 573.075 4.506 0 40 KJAB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(I)cc5)c(=O)n42)c2ccccc2CC3)cc1OC 104658600 SQONVYMWRPYHGG-MFCBUNOESA-N 606.485 4.941 0 40 KJAB COc1ccccc1N1C(=O)[C@@H]2N=NN(CC(=O)N3N=C4/C(=C/c5ccccc5)CCC[C@@H]4[C@@H]3c3ccccc3)[C@H]2C1=O 105410853 QXMLRYAGUGFTJP-UZXBMOLOSA-N 574.641 4.812 0 40 KJAB CCCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1 107844450 VOKVPIFHWMFCDA-YNMQQHPQSA-N 564.704 4.773 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N[C@H](C)c3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 108447494 MOGURWAQQPKTTQ-WYEJZRMESA-N 559.663 4.541 0 40 KJAB biogenic COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 108449409 CONMCAJQSDRJJW-DLLPINGYSA-N 617.699 4.709 0 40 KJAB biogenic COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc1I 145523037 HOKGQAAHQGDGCL-YMSBRDKKSA-N 582.488 4.993 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 215913788 VZHHYSOQFVTTAU-UHFFFAOYSA-N 534.059 4.568 0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 216258034 FGVFHSCCUSFWSA-UHFFFAOYSA-N 571.080 4.678 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Br)c(C)c1 222476169 PBCQEGVCRPIJAD-JPYJTQIMSA-N 505.453 4.867 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 222644180 UKAFIPIPAIQLHU-QFIPXVFZSA-N 539.673 4.661 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 222735909 IZHNEVYGQOLEKA-HHHXNRCGSA-N 606.572 4.934 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 223019205 KTJSCJWFLXTPSD-SFHVURJKSA-N 572.555 4.880 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 223021282 UJSZAKRVDXVCPB-RUZDIDTESA-N 542.101 4.706 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 223033556 OZRUNGXBANDYIN-QHCPKHFHSA-N 581.735 4.540 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223133561 GUFGOEGYPYOEFK-RTBURBONSA-N 559.626 4.723 0 40 KJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3cccc(Cl)c3Cl)o2)N1CCN1CCOCC1 223158915 MKQJVBXUXOFDIL-PKTZIBPZSA-N 503.455 4.953 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223176864 UPLNSEFGUFAJOR-DEOSSOPVSA-N 608.544 4.759 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 223333902 AQVMIWAZJJVLRD-HXUWFJFHSA-N 572.953 4.591 0 40 KJAB CCCSc1nnc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OCC)cc2)s1 223905354 JFTJABKVKQNIQS-UHFFFAOYSA-N 506.675 4.581 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223962856 VFRIYATZBCZHTE-SFHVURJKSA-N 598.549 4.744 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 224061031 ACBNYVUFXBGEGH-SSEXGKCCSA-N 579.763 4.716 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 224345143 OLSGTGGPYQETHO-MHZLTWQESA-N 574.118 4.720 0 40 KJAB CC(=O)c1cccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 224374085 KBNHZLVRBFSPAG-NDEPHWFRSA-N 598.165 4.863 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 224577054 XUIPKJKXAAGETE-XOKUBGGDSA-N 595.806 4.873 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224831128 COILOGFRMVQKDU-LJAQVGFWSA-N 549.737 4.543 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 224840312 WKAVWFZRGYWWNJ-JOCHJYFZSA-N 562.947 4.847 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 224843352 PJGJFXGLIDXKQW-HXUWFJFHSA-N 552.112 4.892 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 224854184 ZJXRLOSPEOWGFP-QHCPKHFHSA-N 539.673 4.581 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 225150520 LADCSGDAVSRYCJ-LJAQVGFWSA-N 565.736 4.674 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 225205236 WIUGQEMTIXHXAM-DEOSSOPVSA-N 556.075 4.641 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225227884 AGGTUWNZDNSITK-NHCUHLMSSA-N 603.688 4.509 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 225243535 SYJKKZGKLKRXJC-XMMPIXPASA-N 536.138 4.737 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 225366608 JJOKMQVZKZJUGO-SSEXGKCCSA-N 563.764 4.952 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 225423055 YOIAPGLAMQEKDB-HHHXNRCGSA-N 614.164 4.781 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 225501756 GKNBLJZVCIHMAV-HKBQPEDESA-N 569.727 4.885 0 40 KJAB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(=O)O)c1)Nc1ccccc1F 225617864 FKINPYHHEKOOBY-CLJLJLNGSA-N 529.597 4.711 0 40 KJAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)CN(Cc4ccccc4)S(=O)(=O)c4ccccc4)cc32)cc1 225996379 YUOVENWHKRSPKS-UHFFFAOYSA-N 555.656 4.728 0 40 KJAB O=C1NC(=O)[C@@H]2[C@@H]1Sc1c(sc(=O)n1-c1ccccc1)[C@H]2c1cn(Cc2ccccc2)c2ccccc12 245241707 NHKZNQOKWPYMRU-HJOGWXRNSA-N 523.639 4.781 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)c1 260849634 CZIKQOXQLKEAKP-HSZRJFAPSA-N 539.673 4.580 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1 260899387 OAAMHSQYYFZERT-GOSISDBHSA-N 562.054 4.623 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 260926899 VPKOSUNKQWRZNS-OAQYLSRUSA-N 536.138 4.638 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 261023140 IPVZMBXHIABYRL-DHIFEGFHSA-N 592.806 4.779 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 261036939 YAJHBJLKHYMIBL-NLFFAJNJSA-N 582.163 4.626 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 261045203 LAZMGVHMVZDDCR-MUUNZHRXSA-N 549.737 4.624 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 261070264 PNYNPWRCXBIMCN-PMACEKPBSA-N 536.138 4.736 0 40 KJAB COc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 408594770 QQQQTQZULWFAEN-UHFFFAOYSA-N 522.667 4.689 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408733752 PUGKNCFFPROASL-YOURIZNBSA-N 540.428 4.760 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccc6c(c5)OCO6)c(OCC)c4)c(=O)n32)cc1OCC 408946747 PPSYXTACJQNVFH-STPBHVBDSA-N 658.729 4.522 0 40 KJAB 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565.589 4.538 0 40 KJAB COC(=O)C[C@H](c1cc(OC)c2c(c1)OCO2)c1c(OC)ccc2c(=O)c(-c3ccc(OC)cc3)coc12 96113776 FUSSNXTUJRYYCY-HXUWFJFHSA-N 518.518 4.910 0 40 KJAB biogenic CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(Cc2ccccc2)C3)cc1 97963475 MCOMUIPEXHBBBV-UHFFFAOYSA-N 582.792 4.960 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(N2CN(S(=O)(=O)c3ccc(Br)cc3)c3nc4ccccc4nc32)c1 97983799 IZYGZFUNFUWJNV-UHFFFAOYSA-N 602.536 4.727 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1ccccc1F)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21 100363571 PJQQIJDKGXWTLA-LJAQVGFWSA-N 543.599 4.518 0 40 KJAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1OC 101165624 RHCIHPIJDUBGGI-IQMFZBJNSA-N 526.387 4.532 0 40 KJAB Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C1=O 102752259 XPIBMGMTTNTAFQ-JCYYIGJDSA-N 540.597 4.814 0 40 KJAB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(I)c1OCc1ccc(F)cc1 103746447 JVBOFEZMFMPWEH-MTJSOVHGSA-N 558.372 4.788 0 40 KJAB 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CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCC(=O)O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409023146 SFVYOGGYBLDXMA-UQZLWQNHSA-N 653.938 4.815 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)c2cc(Cl)ccc2OC)cc1OC 409023652 ANDOYCYAVYOVLX-UHFFFAOYSA-N 523.051 4.568 0 40 KJAB CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)cc1 409052146 GOZLAZNEGRVKEC-JWQCQUIFSA-O 510.445 4.856 0 40 KJAB Cc1ccc(NC(=O)COc2ccc(/C=C3/NC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)cc2Cl)cc1 409095054 HBENKHZSDRPLPH-OEAKJJBVSA-N 532.984 4.506 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)C)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409106071 MGJOPKWKZIPMNO-OWXSRONMSA-N 524.086 4.544 0 40 KJAB Cc1cc(I)ccc1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 409112504 DCKXCBQCYPGXQN-UHFFFAOYSA-N 546.736 4.677 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1OC 409157318 IMOGYUCJAHLDBG-GIJQJNRQSA-N 630.844 4.570 0 40 KJAB CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc1OC 409275548 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541.637 4.685 0 40 KJAB CCOC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(OC)c(O)c2)cc1 6599827 NSBIKDQFCSSOHX-PMERELPUSA-N 585.661 4.546 0 40 KJAB O=S(=O)(c1ccc(-c2cs/c(=N\c3ccc(F)cc3)n2Cc2ccccc2)cc1)N1CCOCC1 12376638 SYFXEYFMYWVVEI-SGEDCAFJSA-N 509.628 4.657 0 40 KJAB CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)Cc3ccc(Cl)cc3)co2)s1 16047901 KZNHXAZINPNDPR-UHFFFAOYSA-N 508.021 4.960 0 40 KJAB Cc1ccc(C)c(N2CCN([C@H](c3cc4cc(C)ccc4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)c1 19941350 RTADQUFYNKXAMQ-MUUNZHRXSA-N 511.674 4.857 0 40 KJAB CCOc1ccccc1N(CC(=O)N(C)Cc1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1 20111509 WLAXXCFQLTVOSP-UHFFFAOYSA-N 503.020 4.601 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2ccc(I)o2)C1=O)Nc1cccc2ccccc12 22827761 LUOJMRBSYCYOLS-MHWRWJLKSA-N 504.305 4.712 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@H](C)c2cccc(Br)c2)cc1C 59836444 ISMWVIPXTBNTPW-HXUWFJFHSA-N 545.499 4.877 0 40 KJAB COc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(C)cc(Cl)cc43)[C@@]23C(=O)Nc2ccccc23)c1 70699922 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CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 225368366 QTABUGQEUFIMMX-LJAQVGFWSA-N 565.736 4.841 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 225375328 VMULFSVCZAJCHJ-GDLZYMKVSA-N 581.735 4.541 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 225419304 QNCIPVRPSRMPRY-LJAQVGFWSA-N 598.165 4.865 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 225444220 YNYVIXYZRMKQAS-MHZLTWQESA-N 616.180 4.680 0 40 KJAB O=C(NCCSCc1ccc(Cl)cc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225531963 MUZRRGJXVUXHBU-OAHLLOKOSA-N 505.464 4.583 0 40 KJAB O=C(NCc1cccnc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl 225804123 ZYJDPJCRQASXTR-UHFFFAOYSA-N 565.076 4.891 0 40 KJAB CNc1nc(-c2ccc(OC)c(NC(=O)CN(Cc3ccc(F)cc3)S(=O)(=O)c3ccccc3)c2)cs1 226067060 JTGHGZKXQUVBRB-UHFFFAOYSA-N 540.642 4.829 0 40 KJAB O=C(C[C@@]1(COc2ccccc2)CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N1CCCCC1 257285142 PFVINKIGEXYXQX-VWLOTQADSA-N 535.504 4.702 0 40 KJAB CN1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CCCN(S(=O)(=O)c3ccc(Cl)cc3Cl)C2)CC1 257285961 PJOIYFOCKMUUCQ-VWLOTQADSA-N 574.958 4.661 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c1 260827797 YZFRTEALTWQDBB-HSZRJFAPSA-N 581.710 4.896 0 40 KJAB O=C(NCc1ccccc1)[C@H]1CN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c2ccccc2O1 260833520 XQVHJGOUCNFGDB-GDLZYMKVSA-N 634.552 4.751 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 260882219 IQNZEKODQVLDJT-RUZDIDTESA-N 565.736 4.697 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 260898755 DQBIFGCZTGYOGL-MBSDFSHPSA-N 600.565 4.643 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 260961065 LCDHYWJYOUPDHR-HOTGVXAUSA-N 548.920 4.745 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 260969568 MHPSDXZNKLJXTL-YWEHKCAJSA-N 655.814 4.947 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 261059276 NNSKWTAXQMRGPX-DFHRPNOPSA-N 630.605 4.779 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 261075704 QLFGGAXIIMEAJA-IADCTJSHSA-N 600.181 4.978 0 40 KJAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N2CC(=O)Nc3ccccc32)cc1 408622725 QUCBSCKIOSPGLI-UHFFFAOYSA-N 511.603 4.989 0 40 KJAB COc1cc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)c(OC)cc1Cl 408625631 VSYXMAQRLGRSCP-UHFFFAOYSA-N 504.992 4.508 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)C1CCCCC1 408636291 NNSHDLDDXMUOLF-UHFFFAOYSA-N 513.429 4.867 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CCc3ccccc3)c(Cl)c2)cc1 408636420 QENIKINUGHGDKB-SFHVURJKSA-N 503.020 4.666 0 40 KJAB CC(C)COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(Br)cc2)cc1 408661118 BDLIMWILTHXLRE-UHFFFAOYSA-N 519.392 4.553 0 40 KJAB CCCC[C@H](C(=O)OCC(=O)Nc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408688609 RBCSPNVCKAZZQV-BYVAMKTGSA-N 522.601 4.619 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408836287 PSTKTDCTYSHXGN-MKWGYRPRSA-N 504.652 4.709 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 409074817 RZAUZSKQKIGBGF-LDADJPATSA-N 552.390 4.764 0 40 KJAB COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC 409172291 BVZIBBSEUKQWIB-MYYYXRDXSA-N 561.616 4.705 0 40 KJAB COc1cc(C(=S)N2CCN(c3ccccc3F)CC2)ccc1OCC(=O)Nc1ccc(C)cc1C 409255440 ZTLFPUNHGDCUPY-UHFFFAOYSA-N 507.631 4.966 0 40 KJAB Cn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1cccc(Cl)c1Cl 409363016 UJNNAUNQJUQZHA-MDZDMXLPSA-N 510.834 4.836 0 40 KJAB CC(=O)N1CCN(C(=O)c2cnc(N3CCC[C@H]3c3ccc(Cl)cc3)nc2CCc2ccccc2C)CC1 585266930 WSFFLIYRRSLIMX-NDEPHWFRSA-N 532.088 4.869 0 40 KJAB COc1cc(CN2CCC[C@](O)(COc3ccccc3F)CC2)ccc1OCCCN1CCCCCC1=O 585280793 SLXTWEZAYBHHFK-SSEXGKCCSA-N 528.665 4.802 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3cc(-c4ccc(F)cc4)n(C)n3)CCO2)C1=O 643556186 HLWLZVITHSVCLF-JGCGQSQUSA-N 562.686 4.872 0 40 KJAB CC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)Cc3ccccc3)Cc3ccccc31)N2Cc1nccs1 643578422 WFCXMLHALZCWCE-FTJBHMTQSA-N 502.684 4.894 0 40 KJAB CCC(=O)N1CCCN(C(C)C)CCCN(C(=O)COc2ccccc2OC)Cc2cc(F)c(F)cc21 643581172 BQTCXJVRCFEWAL-UHFFFAOYSA-N 517.617 4.628 0 40 KJAB COc1ccc([C@H](CC(=O)NCC(OC)OC)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 1547208837 HJMTZLPWFFIKES-CPJSRVTESA-N 583.678 4.845 0 40 KJAB biogenic CN1CCOc2ccccc2CCCCC2(CCN(C(=O)[C@H](N)Cc3ccc(Cl)c(Cl)c3)CC2)C1=O 2037884050 PULLIOCBVWGZKV-XMMPIXPASA-N 532.512 4.736 0 40 KJAB CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 925579 GHTMPQOQFXNVIN-UHFFFAOYSA-N 562.644 4.717 0 40 KJAB COc1ccc(-n2c(SCC(=O)c3ccc4c(c3)NC(=O)CO4)nc3sc4c(c3c2=O)CCCC4)cc1 2626059 WUVNSZIQWFVWKO-UHFFFAOYSA-N 533.631 4.641 0 40 KJAB CCOC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(F)cc2)c(=O)n3Cc2cccc(Cl)c2)C1 2688664 BVWYLXZPJBEMLR-UHFFFAOYSA-N 513.978 4.569 0 40 KJAB C[C@H]1Cc2ccccc2N1C(=O)CN(CC(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1cc(Cl)ccc1Cl 3221535 ZGNGUAXOLMJNMD-KDURUIRLSA-N 572.514 4.940 0 40 KJAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 6013478 GYCMFSBKRZKZJD-UHFFFAOYSA-N 557.691 4.950 0 40 KJAB CCOc1ccc(CN(Cc2ccco2)[C@@H](c2cc3cc(C)cc(C)c3[nH]c2=O)c2nnnn2CCOC)cc1 6196288 VZPYWRFFBBDGMB-NDEPHWFRSA-N 542.640 4.561 0 40 KJAB CN(C)c1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)N(Cc2cccnc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 8695823 DCCOXDXAJAJVOS-LJAQVGFWSA-N 582.060 4.739 0 40 KJAB O=C(Nc1ccc2c(c1)OCO2)[C@H](c1cccs1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 8712496 VBMLCCITMQHOBR-MHZLTWQESA-N 525.590 4.630 0 40 KJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(I)o3)C2=O)cc1Cl 9233568 MYTLTMRRCBHZSG-NTUHNPAUSA-N 502.717 4.521 0 40 KJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)C2=O)cc1 9311569 HZWVFROHHUQLHF-OEAKJJBVSA-N 519.554 4.827 0 40 KJAB O=C(OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 12972783 IOZYBBBAJPOANB-OAQYLSRUSA-N 527.042 4.670 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1ccccc1F)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 13028698 HJNIKUCGTYWRKW-SANMLTNESA-N 505.619 4.851 0 40 KJAB CCN(c1ccc(OCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1)S(=O)(=O)c1ccc(C)cc1 19938061 YOOQCLLGLAOOFL-UHFFFAOYSA-N 521.683 4.555 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c2cc(Cl)ccc2C)cc1 20060875 VZDOQIYDSLJPAN-UHFFFAOYSA-N 516.038 4.640 0 40 KJAB Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)[nH]c2c1 20082550 CQGGSWUBYKKMPI-QHCPKHFHSA-N 525.579 4.508 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)c(Cl)c1 22428775 KZWYOCMUWWBDBY-UHFFFAOYSA-N 517.003 4.749 0 40 KJAB C[C@@H](NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 22535756 JHHXMDPVKKXNPP-QGZVFWFLSA-N 505.409 4.657 0 40 KJAB O=C(OCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ccc(-c2ccccc2-c2nn[nH]n2)cc1 35644911 ZROZQVSCQJAXDC-UHFFFAOYSA-N 500.522 4.738 0 40 KJAB in-vitro COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC 59833912 FHJOITXRKNBZQS-HXUWFJFHSA-N 542.963 4.904 0 40 KJAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 59888004 QTTJYQSZCBSQDS-UHFFFAOYSA-N 535.647 4.706 0 40 KJAB C[C@H](CCC(=O)Nc1ccc2c(c1)OCCO2)[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 70666236 LPIRYYBJFSHWMX-IRNSOEFESA-N 541.729 4.774 0 40 KJAB biogenic CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@H](NC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(Cl)(Cl)Cl 70673178 DRALDEYSNGRUOW-XCHIVEMESA-N 586.800 4.546 0 40 KJAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 97963930 HTPPZAFZGKCFFW-UZUQRXQVSA-N 538.508 4.880 0 40 KJAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2-c2ccccc2)cc1 97985043 UCFXRULMBZKXTN-UHFFFAOYSA-N 653.108 4.851 0 40 KJAB CCCOc1ccc(N2C(=O)CS[C@]23C(=O)N(CN2CCN(c4ccccc4F)CC2)c2ccccc23)cc1 100237866 KLZBMYJDJBTBSR-SSEXGKCCSA-N 546.668 4.674 0 40 KJAB O=C(NCC(=O)N(c1cccc(C(F)(F)F)c1)[C@@H](C(=O)NCc1ccco1)c1ccccc1F)c1ccco1 100413441 NFLLNQRZIUQPES-XMMPIXPASA-N 543.473 4.851 0 40 KJAB O=C(NCC(=O)N(c1cccc(C(F)(F)F)c1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1)c1cccs1 100414935 BAPHGFVLHHQKLI-XUZZJYLKSA-N 545.583 4.566 0 40 KJAB Cc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN([C@@H](c3ccc(C)cc3)c3nnnn3Cc3cccs3)CC2)cc1 100456291 RZEUEUYMZBFEGC-KYJUHHDHSA-N 622.828 4.993 0 40 KJAB CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4ccc(Cl)cc4N4CCN(c5ccccn5)C[C@@H]43)C2=O)cc1 101391674 HMGXSRUEKJVLTR-VAVYLYDRSA-N 530.028 4.572 0 40 KJAB COc1ccc(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCCC4)c3)n2-c2ccccc2)cc1 103086082 PWOOVEPKXMOYDN-UHFFFAOYSA-N 534.663 4.702 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(OC)c(OC)c3)c2=O)=N1 104677195 GAVASEMBSPAEQZ-DBXPASCUSA-N 534.678 4.719 0 40 KJAB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc(I)cn1 105320104 IVYOUZHGDLSXIM-GORDUTHDSA-N 537.977 4.872 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 222568726 RVXCZSDHJYCNQW-GDLZYMKVSA-N 637.705 4.563 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 222687610 SIPGGUYHIPZXRD-LJQANCHMSA-N 548.492 4.660 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 222709611 YRNBVQYTXHGPCW-SANMLTNESA-N 576.546 4.762 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCNc3ccnc4cc(Cl)ccc34)cc2)cc1Cl 222734504 HZHFQVIZEUZKPI-UHFFFAOYSA-N 575.474 4.958 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 222860807 PUSQHPXDNVQZGG-YTTGMZPUSA-N 615.752 4.594 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)N(C)C)c1 223010920 CSKZNBDVZFYIJL-IBGZPJMESA-N 571.571 4.555 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 223164708 BECDHVOASCUPKQ-ZWKOTPCHSA-N 572.953 4.509 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223292312 KVPUELIBTWICDB-OAQYLSRUSA-N 542.529 4.790 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 223385872 LZHBCGSGTKWUJZ-SANMLTNESA-N 572.127 4.714 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 223473653 LPLGRFZQARIOIZ-QDPGVEIFSA-N 570.155 4.824 0 40 KJAB CCOc1ccc(N(CC(=O)NCCOc2ccc3ccccc3c2)S(=O)(=O)c2ccc(C)cc2)cc1 223589035 BLRXVKXMGLMJDG-UHFFFAOYSA-N 518.635 4.937 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 223853164 ILZUWQLBCGOTGZ-XMMPIXPASA-N 553.700 4.890 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 223859662 MLBNBKYXKQMSTM-SFHVURJKSA-N 566.482 4.881 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 223864683 OQIPJBVSXANYCU-XMMPIXPASA-N 553.700 4.890 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 224204203 LRWMNPFVJGYPIF-HHHXNRCGSA-N 572.127 4.796 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 224320011 DJZKTXBRTJBCJA-AREMUKBSSA-N 564.148 4.761 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224328125 ACVGZLYGCSGABY-INIZCTEOSA-N 582.472 4.968 0 40 KJAB COc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1OC 224978371 WZNQJRXPPITWNE-SANMLTNESA-N 506.618 4.940 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 225023526 GCTWOUXPPRNVJC-JWQCQUIFSA-N 595.762 4.848 0 40 KJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 225054665 VIMILGZQAKKVMO-QHCPKHFHSA-N 630.605 4.947 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 225084287 XNPRJDNBXQOAIB-HHHXNRCGSA-N 537.682 4.579 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 225150403 YKBCBWQWTQQBAC-MRXNPFEDSA-N 548.920 4.746 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 225171417 DXAIDAQMNIFFKK-VWLOTQADSA-N 548.149 4.979 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225265060 PPZZPIBLFFRMTQ-DEOSSOPVSA-N 612.576 4.787 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 225292574 XPEVKZMQLWWXCX-RBUKOAKNSA-N 542.529 4.708 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 225385676 LWPYOHZJDIXFNG-LJQANCHMSA-N 548.492 4.660 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 225395682 QLZFDHNWBLGBIY-DHIUTWEWSA-N 569.699 4.670 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 225397015 YZBAKIZGAYNNCN-LJQANCHMSA-N 548.492 4.660 0 40 KJAB 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20080437 IJVMQEHYQBAWFY-MHZLTWQESA-N 512.589 4.712 0 40 KJAB COc1cccc(N(CC(=O)NCCSCc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 20235594 QQYQBIFLINGBLQ-UHFFFAOYSA-N 519.088 4.902 0 40 KJAB Cc1ccc(CNC(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2ccccc2)S3(=O)=O)cc1 20982497 NHJLBRIRTZXLFZ-UHFFFAOYSA-N 516.648 4.569 0 40 KJAB COc1ccccc1CN1CCN([C@H](c2cc3c(C)cc(C)cc3[nH]c2=O)c2nnnn2C2CCCCC2)CC1 22869839 PFYZFIHHGCDQHS-GDLZYMKVSA-N 541.700 4.552 0 40 KJAB COc1ccc([C@H](C)NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1OC 30857672 WWXCETICEGTMHK-KRWDZBQOSA-N 503.020 4.814 0 40 KJAB O=S1(=O)C[C@@H]2N=C(SCc3ccc(F)cc3Cl)N(c3ccc(Br)cc3F)[C@H]2C1 32640390 ZPEYPZHSLVQYIC-RDJZCZTQSA-N 507.809 4.656 0 40 KJAB CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(Br)cc2)cc1 60018525 WAZLSLMSJHAFHO-SFHVURJKSA-N 577.497 4.938 0 40 KJAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 97957451 ABUUUDUSAYGHGS-UHFFFAOYSA-N 578.760 4.874 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@H](C(=O)NCc3ccccc3)c3ccc(F)cc3)n2)cc1 100290225 GIOXNBMIEGDTJV-HKBQPEDESA-N 592.631 4.650 0 40 KJAB COc1cc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)[C@H](C)n2nnc3ccccc32)cc(OC)c1OC 100338710 QBQQKHJZUSHMMO-BGOLNKOXSA-N 629.714 4.966 0 40 KJAB COc1cc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccc3c(c2)OCCO3)c2ccccc2OC)ccc1O 100342624 GBMFZIJRMFAWIA-MUUNZHRXSA-N 532.593 4.628 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1OC)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 100355958 UMOABMLHZNXRKZ-MHZLTWQESA-N 533.604 4.667 0 40 KJAB CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccccc1OC)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 100370530 PCFPWOGRFISPNF-VWLOTQADSA-N 544.656 4.953 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(C(=O)CNC(=O)c1cccs1)c1cc(OC)cc(OC)c1 100413986 VMRSOISECOLIRK-AREMUKBSSA-N 553.681 4.583 0 40 KJAB Nc1c(C(=O)NC2CCCCC2)nsc1C(=O)N(Cc1ccccc1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 100622948 AHRNEHHXCAECKS-SQHAQQRYSA-N 593.725 4.606 0 40 KJAB O=C(COc1ccccc1)N1CCN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 101793601 PUNRKJPXMGWUHP-UHFFFAOYSA-N 544.054 4.617 0 40 KJAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21 103131470 GZIGPHBFSOFQHT-UUOWRZLLSA-N 587.481 4.702 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCc3c[nH]c4ccccc34)c(=O)cc1[C@@H](NC(C)=O)CC2 108448291 HQIRXDDEAVOHEH-NDEPHWFRSA-N 612.727 4.895 0 40 KJAB biogenic COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4Cl)cc3)c(=O)n2[C@H]1c1ccccc1 109924145 IILVFLJBPJFHSA-SJJVXOANSA-N 531.033 4.641 0 40 KJAB CCCCCCCCOc1ccc(/C=C2\SC(=S)N([C@H](CCC(N)=O)C(=O)O)C2=O)cc1OCC 110708426 KJEJRLFMIDLNMK-TVJQZGFISA-N 522.689 4.745 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1Cl 140085744 GGOUNOLEGGTDEC-UHFFFAOYSA-N 577.055 4.767 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)Nc4ccccc4)c(OCC)c3)c(=O)n2[C@@H]1c1cc(Cl)c(O)c(OC)c1 150664144 PUGHPYFNKRZEDB-XLPYNYLBSA-N 678.163 4.582 0 40 KJAB COc1ccc(OC)c(CN2CCC(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)CC2)c1 199431131 OIAMHGXTGLTSAU-UHFFFAOYSA-N 513.682 4.850 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)cc2Cl)cc1 215975948 CVUNOXRUVYCXOS-IBGZPJMESA-N 528.030 4.610 0 40 KJAB O=C(NCc1ccccc1)[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c2ccccc2O1 222895191 VVRCQMHSJFVBKO-YTTGMZPUSA-N 595.721 4.871 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 223056587 XCUDNOMEXTZURJ-LJQANCHMSA-N 622.969 4.860 0 40 KJAB O=C(NCc1ccccc1Cl)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223438517 AKZFFTFJYCMYTP-MGBGTMOVSA-N 666.171 4.965 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 223566289 XPSGLRGAVMYXOS-QHCPKHFHSA-N 570.539 4.684 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 223750774 DUVNCQMSQCHONW-VWLOTQADSA-N 592.545 4.544 0 40 KJAB CCOc1ccccc1N(CC(=O)NCCOc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 223839590 XCDITSZUTMIBGC-UHFFFAOYSA-N 523.438 4.783 0 40 KJAB Cc1[nH]c(C)c([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1I 223921995 YFYVYJAWIWWWIE-XZOQPEGZSA-N 559.477 4.645 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 223951957 LHPWRSHAXIEISV-IBGZPJMESA-N 554.540 4.852 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 223954945 PQGQFORGCDXSMA-INIZCTEOSA-N 605.382 4.998 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 224158554 XVANPLBFVJFKCC-QHCPKHFHSA-N 647.579 4.984 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl 224269916 NSBCMPPMSQQVFV-MHZLTWQESA-N 600.181 4.978 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 224323065 NRBPWCIKQKRBGA-LJAQVGFWSA-N 567.727 4.847 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 224356832 ZZTWFXMVRDOOMB-DEOSSOPVSA-N 510.034 4.582 0 40 KJAB O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224361134 YNHCDKFULAHKIY-UHFFFAOYSA-N 626.584 4.559 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 224469166 XGQFPEKGVUDRMF-MHZLTWQESA-N 630.605 4.779 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 224532631 MOGLGEGMHJSRNP-NDEPHWFRSA-N 551.709 4.825 0 40 KJAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 224611540 KBXRGGVCKWEWRR-LJAQVGFWSA-N 565.736 4.575 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 224768862 MSJKKCDOHWCUEE-DEOSSOPVSA-N 540.101 4.605 0 40 KJAB COc1cccc(CN(C(=O)COc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 225124566 DFBBPPXXNPYREH-NDEPHWFRSA-N 504.602 4.912 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225149585 GTJPOTMEUBJNFU-MHZLTWQESA-N 581.735 4.541 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225403993 UCNLJXMAYNBQLN-RTBURBONSA-N 572.555 4.880 0 40 KJAB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(=O)O)c1)Nc1ccccc1 225534396 PLMRWHIRCWOJQD-FTJBHMTQSA-N 511.607 4.572 0 40 KJAB CCC1(CC)C[C@H](NC(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc2OC)c2ccccc2O1 225825287 VJQNNOKCPAQNNK-QHCPKHFHSA-N 500.661 4.611 0 40 KJAB S=C(NCC1(c2ccc(Cl)cc2)CCCCC1)Nc1nc(N2CCCC2)cc(N2CCOCC2)n1 225984980 VRZRHZHFRTUZLJ-UHFFFAOYSA-N 515.127 4.755 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCc1ccccc1)c1ccccc1)Cc1ccccc1 260722407 OJKNYZQAXMAXQB-YTTGMZPUSA-N 569.727 4.577 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 260744106 NQLWVDCUBNXJFF-JOCHJYFZSA-N 572.127 4.876 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1Cl 260779702 ZXTAFKBNJWKHGB-JOCHJYFZSA-N 572.127 4.794 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)c1 260893697 MISRGWNQXSWNTR-RUZDIDTESA-N 565.736 4.697 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](CC)C(=O)NCC(C)C)c2ccccc2)cc1 260893766 MLKINKRIYVTGAK-GDLZYMKVSA-N 583.726 4.999 0 40 KJAB Cc1ccccc1N(CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 260904479 BRCODXLFFNCOIX-SSEXGKCCSA-N 563.764 4.954 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 260915043 RKSMRCKDZCXTEB-JOCHJYFZSA-N 616.578 4.843 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)c2ccccc2)cc1 260970685 MJXVYZWZXYFAFD-HSZRJFAPSA-N 551.709 4.531 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 260988888 CJGDEWZQDOOQNF-LXFBAYGMSA-N 661.606 4.920 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)N[C@H](C)CC)c2ccc(C)cc2)cc1 260996848 QYKVBSRIDQPJCH-JWQCQUIFSA-N 595.762 4.930 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 261009295 TYUVHESNZFXHTC-YADHBBJMSA-N 572.127 4.876 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 261049435 ZUVJTSBXQBVVAS-CUBQBAPOSA-N 535.710 4.912 0 40 KJAB Cc1cccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)Nc2cccc(F)c2)c1 408573638 FEUANPCLVRXWKV-UHFFFAOYSA-N 509.335 4.812 0 40 KJAB Cc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NCc2ccccc2)c(C)c1 408577599 PWTLDDOVGLIAJR-UHFFFAOYSA-N 519.399 4.659 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(Cl)c1 408588583 DEBUTDFPERXPBM-UHFFFAOYSA-N 537.421 4.916 0 40 KJAB CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 408616389 YMBRMSAQMSVSLX-UHFFFAOYSA-N 507.656 4.928 0 40 KJAB CCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)c(Br)cc3C)CC2=O)cc1 408661180 OIRWATWFPPABHW-LJQANCHMSA-N 545.430 4.558 0 40 KJAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccccc1 408680246 QJSRBTUWFQSTBU-UHFFFAOYSA-N 556.493 4.979 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 408694100 BJCCWSAYQRVXEL-UHFFFAOYSA-N 566.101 4.724 0 40 KJAB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc(Br)c1OC 408919986 GBGIYUBVVFMBGS-VZIOXZNFSA-N 603.560 4.688 0 40 KJAB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccc(C)cc2C)N[C@H]1c1cc(OC)c(OC)c(OC)c1 408994724 ZVPRBVHKEOFWKG-DEOSSOPVSA-N 527.643 4.539 0 40 KJAB CS(=O)(=O)N(CC(=O)NCCSCc1c(Cl)cccc1Cl)c1cccc(Br)c1 409028092 JYAKXTIQOLTSSL-UHFFFAOYSA-N 526.305 4.572 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(F)cc4)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409087877 IJBYIJARBHGEQR-NBQDTTAVSA-N 615.727 4.839 0 40 KJAB CCc1cccc2c(/C=C3\SC(=O)N(c4cccc(Cl)c4)C3=O)cn(CC(=O)N3CCOCC3)c12 409133638 LXNVXNWLLPRENH-XKZIYDEJSA-N 510.015 4.957 0 40 KJAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)ccc1OCc1ccc(Br)cc1 409217844 XKGZEQLSYVIWRC-CIAFOILYSA-N 554.372 4.707 0 40 KJAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5cc(C)ccc5C4=C[C@@H](c4ccc(OC)cc4)[C@@H]3C2=O)cc1 409333334 JBDCVKPCPHIORJ-HXVUFMGFSA-N 509.558 4.924 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O)Nc1ccc(I)cc1 409344540 GYRMHEOEEVCWLL-OQLLNIDSSA-N 543.180 4.729 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc(Br)c2)cc1Cl 409387357 ASSWRLXZFOGOFS-UHFFFAOYSA-N 537.863 4.983 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4cccc(C(=O)O)c4)c(Cl)c3Br)C2=O)o1 409398981 GQRAPQVEEPUSAT-MFOYZWKCSA-N 619.808 4.861 0 40 KJAB COc1ccc(C(c2c(O)nc(S)n(C3CCCCC3)c2=O)c2c(O)nc(S)n(C3CCCCC3)c2=O)cc1CN1CCOCC1 524732265 AFSQUNBYQFOUOX-UHFFFAOYSA-N 669.870 4.820 0 40 KJAB C/C(NCCc1c(C)[nH]c2ccc(OCc3ccccc3)cc12)=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O 575443912 WCGREWUVCLMHGR-DIBXZPPDSA-N 526.568 4.884 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3ccc(N4CCCCS4(=O)=O)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2 604406352 OPZCYZUQMYJPSM-NDEPHWFRSA-N 678.808 4.624 0 40 KJAB biogenic CCc1c(C(=O)N2CCN(C(C)C)CCCN(C(=O)COC)c3ccccc3C2)[nH]c2ccc(F)cc12 643554256 FBNCAUUKAZICBB-UHFFFAOYSA-N 508.638 4.605 0 40 KJAB CC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)COc3cccc(N(C)C)c3)Cc3ccccc31)N2CC1CC1 643577458 LIWLLAOGXQSDNJ-IAPPQJPRSA-N 518.702 4.550 0 40 KJAB CC(=O)N1CCCN(Cc2ccccn2)CCCN(C(=O)Cc2ccc(Cl)cc2)Cc2ccccc21 643581193 COJNVFCSMPGWPM-UHFFFAOYSA-N 505.062 4.955 0 40 KJAB CC(=O)Nc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCCC4)cc1 2384925 NYMBCPZBUSRCOS-UHFFFAOYSA-N 508.625 4.667 0 40 KJAB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc(Cl)c1OC 3442215 KUFJPLGTCLPVES-QCHPHUCNSA-N 559.109 4.579 0 40 KJAB COc1cc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc(Br)c1O 6010211 YAMKYELYNHITHA-UHFFFAOYSA-N 537.318 4.968 0 40 KJAB O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)N(Cc1ccccc1)Cc1ccco1)OCCO3 6446536 ICKMINSEERHGAA-MUUNZHRXSA-N 538.608 4.786 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3F)[C@H](C(=O)NC(C)(C)C)c3cccs3)n2)cc1 12478793 VNVGHXMKRYNXTB-QHCPKHFHSA-N 506.607 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CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)S(=O)(=O)c3ccc(C(C)=O)cc3)cc2c1 914159 IOYPIHJRWSMQEH-UHFFFAOYSA-N 504.608 4.693 0 40 KJAB COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)n2)cc1OC 1518314 DJABNCYAPXXFMX-UHFFFAOYSA-N 509.609 4.905 0 40 KJAB CCOCCCn1c(N)c(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)c2nc3ccccc3nc21 2313944 NOUBTBVLOGFKPJ-UHFFFAOYSA-N 507.616 4.573 0 40 KJAB COc1cccc(-n2c(S[C@H](C)C(=O)Nc3cccc(C(C)=O)c3)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1 3263286 NXUVVOOFBHYNOZ-LJQANCHMSA-N 579.704 4.515 0 40 KJAB CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCCC3)C1 3285701 WTKPHLBNIJXGSE-MRXNPFEDSA-N 504.052 4.746 0 40 KJAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(SCc4ccccc4)s3)cc2)nc(C)n1 3323502 AZRDPFXVWSTOBZ-UHFFFAOYSA-N 558.736 4.769 0 40 KJAB Cn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccc(NS(C)(=O)=O)cc1 6088967 ARTHTFHYXUMMMN-UHFFFAOYSA-N 523.665 4.775 0 40 KJAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCN(c4cc(Cl)ccc4C)CC3)cc2c1 6134028 FTKJRMWCUJQPEW-RUZDIDTESA-N 536.080 4.542 0 40 KJAB Cc1ccc(-c2nnc(Nc3ccc(C(=O)N(C)C)cc3)c3ccccc23)cc1S(=O)(=O)NC[C@H]1CCCO1 8691737 SANAWFBGMBPJFG-HSZRJFAPSA-N 545.665 4.508 0 40 KJAB Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3cc(Br)ccc3Cl)nn12 8832724 CIIJCUDNMUQPID-UHFFFAOYSA-N 507.826 4.704 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nncn2-c2ccccc2F)sc2c1CC(C)(C)NC2(C)C 12562884 JRAJWBAOPQJTPU-UHFFFAOYSA-N 517.652 4.535 0 40 KJAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccco2)cc1 12714538 VPHIUCQVIKFMCQ-QFIPXVFZSA-N 502.658 4.624 0 40 KJAB COC(=O)c1c(COC(=O)/C(=C/c2ccccc2)n2nnnc2C)nc2ccccc2c1-c1ccccc1 13057578 ZNKDECPBXKEXAV-UQQQWYQISA-N 505.534 4.725 0 40 KJAB CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 13130136 WIEDHWZVNRYKOA-BZNIZROVSA-N 514.500 4.769 0 40 KJAB O=C(Nc1ccccc1Br)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 13679782 CXDWTYSRTWKHJO-FQEVSTJZSA-N 507.793 4.698 0 40 KJAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)COc4ccccc4)cc3n2)c(C)c1 14275852 NYRUDXPXPSGMKX-UHFFFAOYSA-N 502.644 4.776 0 40 KJAB 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637.508 4.755 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@@H]1c1ccccc1OC 100076417 UHDGCFIVNWSVPR-CFEDROAVSA-N 606.656 4.902 0 40 KJAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(C(=O)c1cnccn1)c1ccc(S(=O)(=O)NC2CCCC2)cc1 100273381 QCRXJKAVEAEPQW-AREMUKBSSA-N 567.737 4.596 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)c(OC)c1)N(C(=O)Cn1nnc2ccccc21)c1cccc(OC)c1 100356093 FOHPEJVWUARZNF-MUUNZHRXSA-N 545.640 4.536 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(C)cc1)N(C(=O)CNC(=O)c1cccs1)c1ccc(OC)cc1OC 100414779 LUPYZCJIQJXQHA-SANMLTNESA-N 537.682 4.883 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccccc1 100746403 ZCCJOUMHZLRRFH-BDPRQDHOSA-N 545.458 4.698 0 40 KJAB CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc(C(C)(C)C)cc3)c2=O)=C(C(=O)OCC)[C@@H]1c1ccc(C(C)(C)C)cc1 103699443 DHMBONOECZRPAQ-FLXPQLCOSA-N 588.770 4.535 0 40 KJAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2)c(F)c1F 105317396 SPUNQKGIJWPKDE-UHFFFAOYSA-N 560.573 4.649 0 40 KJAB 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CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 225734637 GGRICRQTUXDQDM-HHHXNRCGSA-N 600.579 4.627 0 40 KJAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(-c3csc(NC)n3)ccc2OC)CC1 226047244 CONCEGBTSCVZLI-UHFFFAOYSA-N 565.117 4.952 0 40 KJAB Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)CCCn3c(C(C)C)nc4ccccc43)C2)c2cnccc2n1 257274450 NLBZKXLLJZOWSI-SSEXGKCCSA-N 514.674 4.681 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(OC)c2)[C@H](CC)C(=O)NC(C)C)c2ccc(C)cc2)cc1 260704993 BGQWHTARKOZYSY-SSEXGKCCSA-N 595.762 4.930 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)c2ccc(Cl)cc2)cc1 260744234 OAOXTNWOSATNRW-HXUWFJFHSA-N 576.090 4.625 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 260751192 BKTAQYIARINHFU-RUZDIDTESA-N 577.747 4.718 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)c2cccc(C)c2)cc1 260764592 UPOWFVBKZMPKCN-RUZDIDTESA-N 535.710 4.749 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1 260950987 JTRMTVKCDHTHLN-HSZRJFAPSA-N 551.709 4.613 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 260987183 PGANYEIHXJEZGF-SFTDATJTSA-N 555.663 4.892 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 260990200 CNXDRCMPAWVILO-HLADLETHSA-N 597.753 4.935 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 261008585 RVGVYXJIOCSLPU-SSEXGKCCSA-N 579.738 4.853 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 261043336 KYOGIMDYABGXBE-CUNXSJBXSA-N 556.128 4.661 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 261053401 MKPUWNOCOZXICN-GDLZYMKVSA-N 563.764 4.878 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 261062570 OALNPGOFJYEZGL-FIPFOOKPSA-N 672.642 4.931 0 40 KJAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c1 408573820 OLSWYPZKFZLAMH-FMIVXFBMSA-N 539.057 4.665 0 40 KJAB CCOc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 408580082 PYZPKWOSVBGSFE-QFIPXVFZSA-N 515.610 4.794 0 40 KJAB Cc1cc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc(C)c1Br 408679320 GOMCFMZGXQDRGV-UHFFFAOYSA-N 513.388 4.790 0 40 KJAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@H](c6ccccc6)[C@@H](C5)[C@H]4C3=O)cc2)cc1 408686159 MQUIPHIDUQCNLK-MQNOAXECSA-N 566.610 4.588 0 40 KJAB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C[C@@H]5c5ccccc5)[C@H]4C3=O)cc2)c1 408689629 SIUVKKXYGHOQDK-SQIAJRMJSA-N 508.574 4.720 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408769852 PUORWIDEMFIMSU-KKGUTSHJSA-N 672.779 4.700 0 40 KJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(I)c(O)c(I)c3)S2)cc1 408785614 ICTIZMXMNFBEAF-IDGGIGOKSA-N 578.213 4.763 0 40 KJAB 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SCHHPSYMYORQHP-UHFFFAOYSA-N 516.686 4.959 0 40 KJAB COc1cc2cc(CN(Cc3ccco3)[C@@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)c(=O)[nH]c2cc1OC 1334536 CNLAWTBSIGRJRM-HHHXNRCGSA-N 546.603 4.712 0 40 KJAB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Cl)c(Cl)c4)c(=O)n32)cc1 1823331 AYNWNRKCRRKMFY-AFHVAHMMSA-N 517.434 4.502 0 40 KJAB COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N(Cc1ccco1)Cc1ccccc1Cl 6322120 LBMGBFHXVUYGDN-SANMLTNESA-N 533.032 4.816 0 40 KJAB CC(=O)Nc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 9763083 DDJMLPODXHNVST-UHFFFAOYSA-N 506.411 4.781 0 40 KJAB COc1cccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2C)c1OC 13029351 JKVIEXYJPPFYLF-HHHXNRCGSA-N 529.641 4.755 0 40 KJAB CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 13787662 DPUALGDKCIYXHO-AWEZNQCLSA-N 517.471 4.882 0 40 KJAB COc1ccccc1N1CCN([C@H](c2cc3cc(C)c(C)cc3[nH]c2=O)c2nnnn2C2CCCCC2)CC1 19940774 USADXEYUUISEGZ-MUUNZHRXSA-N 527.673 4.557 0 40 KJAB CC[C@H](C)N(Cc1nc(-c2cccc(C)c2)no1)C(=O)COc1ccc(I)cc1 22257754 SNOHYBKSAKHNDW-INIZCTEOSA-N 505.356 4.856 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1OC 22535671 DXRFXZCJRJPFAQ-QHCPKHFHSA-N 524.683 4.740 0 40 KJAB COc1cc(CN(C[C@@H]2CCCO2)c2ncnc3c2cnn3-c2cc(C)ccc2C)cc(OC)c1OC 32620492 MJGAUSZGFCWSRD-NRFANRHFSA-N 503.603 4.644 0 40 KJAB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(I)cc1 59176431 YPEHCSAEMUWTAB-UHFFFAOYSA-N 522.412 4.829 0 40 KJAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)c(Cl)c3)cc2)n1 59853490 BTOBOPVLZVJWOC-UHFFFAOYSA-N 572.068 4.601 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 100189960 IAXUXVBTNSMORB-ASZNLBCTSA-N 570.667 4.968 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4F)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 100303123 YZCSXJAUOWEJCU-PYCBVSLESA-N 602.684 4.924 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3ccc(OC(C)=O)cc3)c2=O)=N1 100307919 WZIRHWVNEAXHCD-FJSZTYFPSA-N 570.667 4.666 0 40 KJAB COc1ccc(OC)c([C@@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)c1 100363089 VHKMKTXTSRJESP-HKBQPEDESA-N 549.631 4.535 0 40 KJAB CC(C)C[C@@H](c1nnnn1CCc1ccccc1)N1CCN([C@@H](CC(C)C)c2nnnn2CCc2ccccc2)CC1 100435167 IDKHRQGBOSBZTN-KYJUHHDHSA-N 570.790 4.637 0 40 KJAB COc1ccc(-n2c(/C=C3/C(=O)Nc4ccc(C)cc43)nc3ccc(I)cc3c2=O)cc1 100793446 RPCCNLDHHQGNNT-CPNJWEJPSA-N 535.341 4.800 0 40 KJAB COc1cc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@@H]3c3cccnc3)cc2)cc(OC)c1OC 100818862 UXDCAHXIBHNKTD-NNALFKCQSA-N 537.638 4.675 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 103726222 OIXGUMKMSMSABH-BDFHIWMCSA-N 557.672 4.543 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N[C@@H](C)c3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 108450921 QINYQCPJGCIPIS-FNZWTVRRSA-N 573.690 4.933 0 40 KJAB biogenic O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@@H]1C=C[C@@H]2[C@H]2C1=C(c1ccccc1)C[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 169683700 YONVALWGSMMQED-CNWJEGOHSA-N 526.592 4.888 0 40 KJAB CC(C)Cn1c(SCC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 195529161 ARPWAPXYTXLBQP-SDUSCBPUSA-N 578.801 4.718 0 40 KJAB CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1 198274495 UJXYMVUZQSSGIM-UHFFFAOYSA-N 649.416 4.514 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 222760838 HECWCAKQNBPRJD-MRXNPFEDSA-N 548.920 4.665 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 222786127 QUICZOJUVQOXBB-QHCPKHFHSA-N 571.571 4.555 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 222974060 UHMXMINIEXJTPW-MRXNPFEDSA-N 548.920 4.746 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 223041345 BENZGCBOBBKBCO-SANMLTNESA-N 542.101 4.706 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 223044261 BGLONKGDTBSDSP-QFIPXVFZSA-N 586.552 4.815 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 223391649 CPAFHZUSXBGHMW-QDPGVEIFSA-N 600.181 4.978 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 223430529 JFNAYJDEVVPXEA-JOCHJYFZSA-N 602.153 4.886 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 223853030 DVHFQUIQUKYIJM-XMMPIXPASA-N 553.700 4.890 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 224014479 POOBCRZQHNHRSE-IBGZPJMESA-N 578.518 4.751 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 224192318 GSUANAFZXTVAHW-GDLZYMKVSA-N 565.736 4.841 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 224202048 BABQYBFAXBANGZ-NDEPHWFRSA-N 535.710 4.696 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 224236595 TWLYJVNCERAYFC-AREMUKBSSA-N 539.673 4.581 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 224268696 WAWGVJFRGHXZGG-NDEPHWFRSA-N 579.763 4.715 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 224344801 SUEQHBXGNGVPES-QHCPKHFHSA-N 631.964 4.577 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 224344961 NPNOHABORZUOKO-IBGZPJMESA-N 564.535 4.957 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc(CN4CCCCC4)cc3)Oc3ccc(Cl)cc32)cc1 224525788 NHHOFDJCUKEEGH-NDEPHWFRSA-N 570.111 4.607 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 224761606 RCHBPRWLFGZRNW-DEOSSOPVSA-N 570.127 4.614 0 40 KJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 225043193 KTRQYNQIYQSHSU-QFIPXVFZSA-N 542.101 4.521 0 40 KJAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 225045085 PQYPYGCWMDARDU-JOCHJYFZSA-N 572.127 4.530 0 40 KJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 225047270 IAEJEHACLZCCLT-QHCPKHFHSA-N 600.579 4.939 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(I)cc1 225249701 RLZVSABDKODDSS-FQEVSTJZSA-N 528.818 4.657 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 225281838 YPMOCIHOPZQMLP-HKBQPEDESA-N 590.790 4.697 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 225298846 UIMDOUUPSZRRBI-NDEPHWFRSA-N 600.181 4.979 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 225370424 BSKADRAMPGZMOU-NDEPHWFRSA-N 595.762 4.850 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 225521712 MEAFGKNTYYIIPU-JYFHCDHNSA-N 529.747 4.880 0 40 KJAB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1)Nc1ccccc1 225537014 ZYMGRUINCSSBSX-FTJBHMTQSA-N 556.600 4.739 0 40 KJAB COC(=O)c1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccc(C)cc1 225582733 KLBLYRHWYKPZTM-IZLXSDGUSA-N 539.661 4.969 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 225688196 VXYAUERVCBQJEY-WZONZLPQSA-N 542.529 4.644 0 40 KJAB COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1 245237652 PJHZAPTYOADVPS-CTIGNXTNSA-N 517.644 4.965 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](CC)C(=O)NC(C)C)S(C)(=O)=O 260705197 MVLHQHPTAVDMGY-JOCHJYFZSA-N 542.529 4.654 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 260776122 JEBLMYLJVIJFTE-RUZDIDTESA-N 577.747 4.983 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)[C@H](C)C(=O)NCC(C)C 260877986 HQXLNVQUVZBFNB-HSZRJFAPSA-N 647.579 4.984 0 40 KJAB CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 260897440 IOPWRSCORNBAJW-SFHVURJKSA-N 521.422 4.529 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 260995676 QSHKIFXVEMLOCO-HOTGVXAUSA-N 548.920 4.745 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 261006528 SQLAPCASOWFXSC-CUNXSJBXSA-N 659.777 4.778 0 40 KJAB Cc1ccc(CN(C(=O)CCCN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1 261040252 YNCHXUZEUCIIJH-HXUWFJFHSA-N 555.663 4.892 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 408596382 UQPDJMSNKYPWFR-UHFFFAOYSA-N 537.421 4.551 0 40 KJAB COC(=O)c1cc(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc(C(=O)OC)c1 408605315 GGMSLMMBJVFGLD-UHFFFAOYSA-N 609.882 4.505 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc(OC(=O)c2ccccc2)cc1 408639269 FKWWVHJPSQOTMP-XSAAJHIVSA-N 581.024 4.852 0 40 KJAB C[C@H](NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)cc1)c1ccccc1 408684974 KQGANWZWJFRRPY-KTZAATCYSA-N 522.601 4.650 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C\c4c(C)n(C)c5ccccc45)c(=O)n32)cc1OC 408815905 SXLBFORTOUVECR-IMUCPKNRSA-N 592.721 5.000 0 40 KJAB CCOc1cc(/C=C2\N=C(c3ccccc3Br)OC2=O)ccc1OS(=O)(=O)c1ccccc1 408949232 FCTGPJROWMEWHS-ZHZULCJRSA-N 528.380 4.960 0 40 KJAB COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1Cl 409021937 ARVRDVYEMSUFPT-OWXSRONMSA-N 516.022 4.536 0 40 KJAB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 409027530 FCPGGMYENQSWHZ-UHFFFAOYSA-N 518.466 4.533 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(C(=O)OC)cc5)o4)c(=O)n32)cc1 409050363 VAWCWHYAYCYIMX-RGFRMHDHSA-N 586.666 4.632 0 40 KJAB CCn1c(CNC(=O)COc2c(C)cccc2C)nnc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1 409058612 TZSPSTCAPPJART-UHFFFAOYSA-N 550.710 4.773 0 40 KJAB O=C(O)c1ccc(COc2ccc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)cc2Br)cc1 409066239 KNBXKTAPTKAHHI-CIAFOILYSA-N 525.330 4.958 0 40 KJAB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl 409195051 RAMGZAPTXCYCGM-GIDUJCDVSA-N 533.149 4.708 0 40 KJAB CCCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)cc1OCC 409196051 MSRMZWXUEJZCRK-MFVBVHDHSA-N 547.411 4.857 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2ccccc2OCCOc2ccccc2)C1=O)N1CCc2ccccc2C1 409274143 BTFRFRGTRNNCJW-NLRVBDNBSA-N 514.603 4.766 0 40 KJAB O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1 409380690 BDEFEDIZORZIKC-UXHICEINSA-N 520.296 4.607 0 40 KJAB CN1CCC[C@H](CCNC(=O)c2ccc3c(c2)CNCCCCCCCN3C(=O)COc2ccccc2)C1 643583437 CPFRBKVVMKZTCY-RUZDIDTESA-N 520.718 4.614 0 40 KJAB O=c1oc2ccccc2c(O)c1C(c1cn(-c2ccc(Br)cc2)nn1)c1c(O)c2ccccc2oc1=O 2298285159 MGKYFOJFXQGFHC-UHFFFAOYSA-N 558.344 4.834 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc(F)cc3)[C@H](C(=O)NCc3ccc(F)cc3)c3cccs3)n2)o1 888092 UAFPEZLEYPSRMA-SANMLTNESA-N 562.602 4.668 0 40 KJAB COc1ccccc1CN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 933792 DASZMHDXLOCYNT-UHFFFAOYSA-N 536.675 4.565 0 40 KJAB CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1ccccc1OC)Cc1cc2cc(OC)ccc2[nH]c1=O 1374590 PPFIAYVABCYNND-NDEPHWFRSA-N 538.652 4.928 0 40 KJAB Cc1cc(C)nc(SCC(=O)N(Cc2cccnc2)[C@@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccc(F)cc2)n1 1407829 DJEHWQIXLDXZQX-HHHXNRCGSA-N 559.623 4.857 0 40 KJAB COc1ccc(NC(=O)[C@@H]([C@@H]2CC=CCC2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 1418947 XMYCTUZDADCVKM-RNWIMVQKSA-N 509.610 4.832 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nc(C)nc3sc4c(c23)CCC4)sc(C(=O)OC)c1C 1895937 LDBKLLRSIABIPG-UHFFFAOYSA-N 505.643 4.552 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Oc2ccc3c4c(c(=O)oc3c2C)CCCC4)cc1 2095887 UUOLFLHZNSLPFI-SANMLTNESA-N 531.630 4.784 0 40 KJAB biogenic COc1cc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c3ccccc3n2)cc(OC)c1OC 3213160 NPUQVYIMFRKHGR-UHFFFAOYSA-N 571.615 4.771 0 40 KJAB C[C@H](SC1=N/C(=C/c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1)C(=O)NCc1ccc2c(c1)OCO2 3399763 WXXGMYXTNURDCT-SLDJAQPHSA-N 541.532 4.792 0 40 KJAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)n2)cc1 3476581 VJUOYAVTUJFQNO-UHFFFAOYSA-N 512.657 4.974 0 40 KJAB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)C1(Br)c3ccccc3C2(Br)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 5883474 JWPNWDRMHVOXKA-AOJLTGJHSA-N 606.270 4.506 0 40 KJAB CCc1ccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)[C@@H](C(=O)NC2CCCC2)c2ccc(OC)cc2)cc1 6822182 GRZJNHZFZCYJPS-GDLZYMKVSA-N 556.642 4.884 0 40 KJAB CC(C)C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCCC1 8791520 JNEHHCUQQUGKSW-NSVAZKTRSA-N 512.654 4.618 0 40 KJAB biogenic Cc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cccc3ccccc23)cc1 12479683 BAPLXBSQJFVQRW-RUZDIDTESA-N 529.666 4.836 0 40 KJAB CCCCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc1 16699862 KRVSOOQBQHMCFN-FVIVVMBBSA-N 510.681 4.817 0 40 KJAB Cc1ccc(N(CC(=O)NCc2ccccc2-n2ccnc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 22531747 WUCNAPMNLZCZMI-UHFFFAOYSA-N 509.031 4.654 0 40 KJAB COc1cc(CN(C(=S)NC(=O)c2ccc(C(C)(C)C)cc2)C2CCCCC2)ccc1OCC(N)=O 22835985 GSGWAHIFHLLKEL-UHFFFAOYSA-N 511.688 4.706 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 34970881 QGMRLJNFZBAWRO-XMMPIXPASA-N 515.031 4.825 0 40 KJAB C[C@H](Sc1ncccc1C(=O)O[C@H](C)C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 36245336 VYFYCASABKWRPC-LNFZDKSJSA-N 517.736 4.989 0 40 KJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)ccc2Cl)c1 60028809 VJFOGFTVMJDGRM-UHFFFAOYSA-N 586.095 4.909 0 40 KJAB COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@H]4c2cc(OC)c(OC)cc2OC)cc1 85879160 AKYLNLHWZLXLBU-KRWDZBQOSA-N 504.491 4.641 0 40 KJAB biogenic COc1ccc(CCNC(=O)c2cc(C(=O)NCCc3ccc(OC)cc3)cc(C(=O)NCCc3ccc(OC)cc3)c2)cc1 97948873 KRVFTGKCJHICCA-UHFFFAOYSA-N 609.723 4.630 0 40 KJAB CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)c(Br)c12 97961163 MWKKTTMLMMMEBL-UHFFFAOYSA-N 566.426 4.743 0 40 KJAB C[C@@H](OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)N1CCc2ccccc2C1 97979554 LTRLYLZLJKZFCD-XSEIIIHRSA-N 535.600 4.840 0 40 KJAB O=C(C[S@@](=O)CC(=O)N(CC(=O)NC1CCCCC1)c1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(F)cc1 100294516 WGIDSYFJXSAFQK-LHEWISCISA-N 576.012 4.667 0 40 KJAB O=C1N[C@@H](c2ccc(-c3ccc(Br)cc3)o2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 101786958 ZLHGPYDCTXLOSU-JTDSTZFVSA-N 515.307 4.875 0 40 KJAB CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccccc3)C(=O)N12)C(=O)NCc1ccc(C)cc1 102738552 AGGAKHVDCFUQJF-RRPNLBNLSA-N 567.715 4.878 0 40 KJAB CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCCc3ccccc3)C(=O)N12)C(=O)Nc1ccc2c(c1)OCO2 102745628 IOSKSKWTEJYRBY-SHQCIBLASA-N 597.697 4.663 0 40 KJAB Cc1ccc2[nH]c(=O)c(C3=NN(C(=O)CCC(=O)O)[C@H](c4ccc5nccnc5c4)C3)c(-c3ccccc3)c2c1 102768536 TXJQBMURFFXBHN-SANMLTNESA-N 531.572 4.989 0 40 KJAB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2Cl)=N[C@@H]1c1ccc(OC)c(OC)c1 103828802 ANSGXALKCQXFTO-JOCHJYFZSA-N 504.008 4.567 0 40 KJAB COc1c(Br)cc(Br)cc1C(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 105318996 DAENIPQAYILTBJ-UHFFFAOYSA-N 544.112 4.878 0 40 KJAB CCS(=O)(=O)N(CC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc2c(c1)OCO2 140143010 XEUHJKLDWRPASJ-UHFFFAOYSA-N 537.638 4.760 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 222499629 PYCJUPGXQLESFN-QFIPXVFZSA-N 542.101 4.624 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)c1 222637116 DWFQPFFINKHRMU-QHCPKHFHSA-N 551.709 4.531 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 222644789 IZYFCWRQPJMAAO-NDEPHWFRSA-N 600.181 4.917 0 40 KJAB C[C@@H](NC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 222702539 HFEOCVSZJBNIEV-MRXNPFEDSA-N 521.422 4.837 0 40 KJAB C[C@@H](C(=O)NCc1ccccc1Cl)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 222720791 RGBINSSKMIGZSM-QHCPKHFHSA-N 568.139 4.791 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 222806862 TVLDOEWSNLONSW-AREMUKBSSA-N 572.127 4.876 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 222874868 KMFONPUCUIFXOT-MHZLTWQESA-N 663.578 4.827 0 40 KJAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1)c1ccc2c(c1)CCCC2 222965367 FPKGBAAJVVMJQV-GOSISDBHSA-N 519.505 4.747 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 222989288 KIKYPNWCJHBITI-QFIPXVFZSA-N 586.552 4.815 0 40 KJAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCc2ccccn2)cc1OC 223034315 UDRPJKNCVIDIHJ-MUUNZHRXSA-N 523.633 4.598 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 223151144 JYJVMEDZEBEZBF-PMERELPUSA-N 557.716 4.690 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 223198820 BNJJCSSNQUTIOG-QFIPXVFZSA-N 542.529 4.790 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 223208850 RVRLJTWDZMBZLS-VWLOTQADSA-N 576.090 4.545 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 223291933 WHQSCOXBGDILAN-QHCPKHFHSA-N 578.518 4.751 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 223579132 LCHXMDIJVWLSMO-NRFANRHFSA-N 562.947 4.989 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 223627010 AUMQVTZJJCVNGK-NEKDWFFYSA-N 585.170 4.508 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 223700702 AULMRBKCFMBHOG-FUFSCUOVSA-N 597.753 4.935 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223747675 UBYIZPHZNBNIKC-OAQYLSRUSA-N 618.152 4.505 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 223758038 PBYPVJGDVOKKIJ-AREMUKBSSA-N 592.545 4.544 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 223850325 LBTUIJTZPQNFPY-OAQYLSRUSA-N 560.091 4.926 0 40 KJAB 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CCOC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 408677463 APLDOIRPXHUIFU-UHFFFAOYSA-N 562.189 4.645 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cc(Cl)cc(Cl)c1 408711049 QHRGBZFFKOTMBK-UHFFFAOYSA-N 548.492 4.855 0 40 KJAB COC(=O)c1ccccc1NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)ccc2s1 408713570 HCJKVDNXYKJHJG-UHFFFAOYSA-N 540.619 4.783 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 409007975 SOPCUXBBSHAOHY-OXDPQRGISA-N 595.721 4.741 0 40 KJAB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCC(C)C)cc4)c(=O)n32)cc1 409021408 GCBZLRDJVAZFNF-LMSRTUJASA-N 536.719 4.944 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O[C@@H](C)CC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409031567 HDTFUPVFTRUXBQ-RKBFECQASA-N 594.730 4.780 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409077985 GFVGWCHJIJIGPY-SPVXFMEISA-N 696.414 4.748 0 40 KJAB CCc1ccc(N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)S(=O)(=O)c2ccccc2)cc1 409119001 QZTWMJKTVIYLPC-UHFFFAOYSA-N 512.075 4.755 0 40 KJAB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)NC4CCCC4)c4c(CC)cccc34)NC2=S)cc1 409148023 WXNCISOOGYAEGV-XYGWBWBKSA-N 516.667 4.923 0 40 KJAB CCN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc(C)c3)c(I)c2)C1=O 409167769 MYWFCPDQCYSYOM-LICLKQGHSA-N 588.183 4.696 0 40 KJAB CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1[C@H](C)NC(=O)c1ccccc1Cl 409361981 RNYSEVFZWXHHJA-ZDUSSCGKSA-N 501.037 4.783 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(Cl)ccc2Cl)cc1 409412042 QKVOXXBCPFEAKH-UHFFFAOYSA-N 576.502 4.570 0 40 KJAB COc1ccc(S(=O)(=O)NC(=O)c2ccc3c(c2)CN(Cc2cccnc2)CCCCCCCN3C(C)=O)cc1 2037931565 MSAGMNHGLSTBLH-UHFFFAOYSA-N 564.708 4.528 0 40 KJAB COc1ccccc1C(=O)O[C@H](COc1cccc2ccccc12)CN(C)C1=NS(=O)(=O)c2ccccc21 852549 HNLOQIMQBHTJRU-NRFANRHFSA-N 530.602 4.534 0 40 KJAB CC[C@@H](C(=O)NCc1ccccc1)N(C(=O)c1snc(C(=O)NC2CCCCC2)c1N)c1ccc(C)cc1 907429 FKTPWOOESXMMSU-QHCPKHFHSA-N 533.698 4.838 0 40 KJAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3C)cc2)nc(C)n1 1876587 UNOMPQBMTRMTOV-UHFFFAOYSA-N 565.725 4.718 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@H]1c1ccccc1Cl 2163918 YNFXZYCFJMWZBR-VZZQTLFRSA-N 568.276 4.573 0 40 KJAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 3367884 FBRDJNGUGHRITD-UHFFFAOYSA-N 584.108 4.971 0 40 KJAB O=C(CCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 8397335 NIWDYAHLTRXMNP-UHFFFAOYSA-N 604.795 4.564 0 40 KJAB COc1cc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc(OC)c1OC 13026140 DWIIRQYXNGIPON-VWLOTQADSA-N 510.562 4.887 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(Cc1ccccc1OC)C(=O)Cn1nnc2ccccc21 13032577 JVARPSPAZZMGJZ-RUZDIDTESA-N 505.644 4.576 0 40 KJAB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1 13776542 MSCMGAYIEHZOGR-SDHOMARFSA-N 508.958 4.894 0 40 KJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 20061212 RCRNEGMZBOXJAS-UHFFFAOYSA-N 529.684 4.632 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCCCCn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)CC1 20644424 LEROASQOKRANTF-UHFFFAOYSA-N 529.062 4.659 0 40 KJAB COc1cc(CN(C(=S)NC(=O)c2cccc(Cl)c2Cl)C2CCCCC2)ccc1OCC(N)=O 22860133 MKQPEMJYDZGGMJ-UHFFFAOYSA-N 524.470 4.716 0 40 KJAB CSc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1C(=O)N1CCC(C)CC1 26119149 BRRZSUFTKYUMCM-UHFFFAOYSA-N 501.443 4.983 0 40 KJAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1[C@H](C)NC(=O)c1ccccc1Br 32579632 IWHLBFMSVLCLSJ-INIZCTEOSA-N 516.465 4.899 0 40 KJAB C=CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1ccc(OCC)cc1 33781752 CMYRXOXOCUQSQG-NTEUORMPSA-N 512.035 4.577 0 40 KJAB Cc1ccc(C)c(-n2c(SCC(=O)N3C[C@@H](C)O[C@H](C)C3)nc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 35241362 XQPWSQVYVUDCBN-BHIYHBOVSA-N 511.713 4.917 0 40 KJAB CCc1nn2c(ncc3c(=O)n(NC(=O)COc4ccc5ccccc5c4)ccc32)c1-c1ccc(F)cc1 40396824 QZBYZQOUKBBOSZ-UHFFFAOYSA-N 507.525 4.715 0 40 KJAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc(I)ccc1I 59825551 ZGYIAYMCRIUVHP-UHFFFAOYSA-N 575.140 4.909 0 40 KJAB Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H]3c4ccccc4C(=O)N23)cc1 70701603 XDFAGVRRMZSZQU-MZSJJGOWSA-N 568.677 4.990 0 40 KJAB biogenic C=CC(=O)OC[C@H](O)COc1ccc(C2(c3ccc(OC[C@@H](O)COC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1 100046720 VUGKXJFTPZXBTJ-VSGBNLITSA-N 606.671 4.988 0 40 KJAB COc1ccc(C)cc1N(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)[C@H](C(=O)NC(C)(C)C)c1ccc(C)cc1 100286939 YGUBGTNQBOMSPA-NDEPHWFRSA-N 540.668 4.963 0 40 KJAB COc1cccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)c(F)c2)c1OC 100364642 UQWTULFEOWEKDH-SANMLTNESA-N 533.604 4.585 0 40 KJAB COc1cccc([C@H](C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2cc(C)on2)c2ccc(C(C)=O)cc2)c1OC 100416633 MNEAWFUXJFBXMJ-HHHXNRCGSA-N 564.639 4.611 0 40 KJAB Cc1c(CCC(=O)N[C@H](C(=O)NCCCC(=O)O)c2ccccc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 101369613 YNTBNYQKYOCBLH-NDEPHWFRSA-N 546.620 4.916 0 40 KJAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@]1(CC(O)=N2)C(=O)N(Cc2ccccc2)c2c(Cl)cc(Cl)cc21 101410146 BPICULSNKWNMRZ-AREMUKBSSA-N 545.390 4.978 0 40 KJAB COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc1 102831196 XACVTFMMJJSWFJ-KJYTXNCISA-N 571.037 4.637 0 40 KJAB CCCC(=O)N1C2C3N(C(=O)CCC)[C@H]4[C@@H](N3C(=O)CCC)N(Cc3ccccc3)[C@H]([C@H]1N4Cc1ccccc1)N2C(=O)CCC 102943575 BYZZOFOKOGSGOA-XUNYCZEZSA-N 628.818 4.517 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(COc4cccc(C(F)(F)F)c4)o3)c(=O)n2[C@@H]1c1ccccc1 103253413 VZKZOLMRBHKFRJ-XSZPGNIMSA-N 568.573 4.989 0 40 KJAB CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc(C(C)(C)C)cc3)c2=O)=C(C(=O)OCC)[C@H]1c1ccc(C(C)(C)C)cc1 103699440 DHMBONOECZRPAQ-POQGPQTDSA-N 588.770 4.535 0 40 KJAB COc1ccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1Br 105353051 OEQWYFDOHGMRGD-UHFFFAOYSA-N 540.764 4.504 0 40 KJAB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccc(I)c3)cc2Cl)CC1 105394357 XPPOIJRTOSWUMJ-UHFFFAOYSA-N 525.818 4.892 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 150472556 JMQYJQKVMQVBRJ-ABBNRAPFSA-N 666.537 4.991 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(COc4ccc(I)cc4)c3)c(=O)n2[C@H]1c1ccccc1 150632508 XUEHQLHLUREWJI-QPJBPQEWSA-N 652.510 4.600 0 40 KJAB O=C([C@H](SC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccccc1)N1CCc2ccccc21 215742884 UEDZRHBUSKPHCQ-NDIWIEOSSA-N 501.677 4.616 0 40 KJAB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 215982421 HKIAFEUJQDGQAA-GOSISDBHSA-N 533.046 4.829 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 222486549 TWLITOPIXMELPC-CJFMBICVSA-N 552.137 4.617 0 40 KJAB Cc1ccc(CNC(=O)[C@H](C)N(Cc2ccc(Cl)cc2)C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 222812181 PGHOZJAPNVBSDB-QFIPXVFZSA-N 568.139 4.755 0 40 KJAB O=C(NCc1ccco1)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 223025234 GPWIPLYOEAGWAR-JGCGQSQUSA-N 599.753 4.953 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223149038 AZOXBDNJAMSDOR-AREMUKBSSA-N 576.546 4.844 0 40 KJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N1CCN1CCOCC1 223159159 ZVQKPJOMJJGYNF-PKTZIBPZSA-N 503.455 4.953 0 40 KJAB O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NCC1(c2ccccc2)CCOCC1 223330668 OMRDILZDERSJLA-UHFFFAOYSA-N 543.483 4.509 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(I)cc1 223447358 IYBDQLNYVMTXEN-XMMPIXPASA-N 560.407 4.585 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223739211 OGZDOOKVHFAMLZ-DEOSSOPVSA-N 563.720 4.508 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 223870196 LKVRGEWMCGAMBS-QHCPKHFHSA-N 551.684 4.806 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 223940529 WGPABTGROLRNQB-CYBMUJFWSA-N 555.311 4.620 0 40 KJAB COc1cccc(CN(C(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1 224033001 MPJZNZHNRZSHNZ-NRFANRHFSA-N 549.693 4.613 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1 224095024 HMGKEEVBZUEJQR-QHCPKHFHSA-N 569.699 4.609 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 224126144 NCVHLZORSAZKSK-MHZLTWQESA-N 556.128 4.581 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 224128780 KCKSEFKQCUFOMF-NDEPHWFRSA-N 570.155 4.889 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 224360285 JAAXOIZSLIUVGX-HHHXNRCGSA-N 556.128 4.980 0 40 KJAB Cc1c(Cl)cccc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O 224364484 ZYOONPMKQTZVGM-KRWDZBQOSA-N 562.947 4.911 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 224619389 NZUBWPMBILFGRB-DEOSSOPVSA-N 554.540 4.668 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 224708737 FBUIEGWBGGUZGC-JOCHJYFZSA-N 586.552 4.896 0 40 KJAB Cc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)C)ccc1Br 224726546 DDRSIAQPZNACNW-MRXNPFEDSA-N 526.269 4.841 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224993557 MOFAIUWXXPFZRK-FCHUYYIVSA-N 602.153 4.885 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 225045848 CZPCMEBAARFKLZ-AREMUKBSSA-N 527.731 4.634 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225155922 LWGNKVRKOHODIO-AREMUKBSSA-N 606.185 4.914 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225222942 VWVICRMJLSRHGF-SFHVURJKSA-N 584.964 4.589 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 225255879 NHRZOSLFOUWLQI-HXUWFJFHSA-N 566.562 4.672 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225267889 GKONHBMDAWYBDX-ZWKOTPCHSA-N 586.538 4.600 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 225277634 IEZQNJRJGZKQHR-HKBQPEDESA-N 621.800 4.867 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225300393 BNRIHDQFJBQPRC-ZWKOTPCHSA-N 586.538 4.600 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 225407219 XMCPLMGXTZAQMY-MUUNZHRXSA-N 602.153 4.886 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 225551560 FSHDKBYRBCODFU-SSEXGKCCSA-N 573.690 4.716 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 225607599 JXWOVKCGYXGBCK-KRWDZBQOSA-N 546.492 4.621 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 225680186 KFHCIEQGHQHBBS-DEOSSOPVSA-N 553.700 4.827 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c2cc(Cl)ccc2OC)cc1OC 225688641 HLMXKEYDQVMLGN-QFIPXVFZSA-N 632.179 4.546 0 40 KJAB CC1(C)CC2(CCN(CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)CN1S(=O)(=O)Cc1ccccc1 257213473 CHSMGMYWDBPFDC-UHFFFAOYSA-N 523.621 4.740 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 260806579 SGLPXJBKZNAGOS-RUZDIDTESA-N 577.747 4.983 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 260904919 FFRKSHDMEMPZBC-MOPGFXCFSA-N 600.565 4.643 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 260968365 MCWUTUHXWXLLOV-VXKWHMMOSA-N 616.578 4.985 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 260989301 PSYAIIJSSHRKRQ-UXHICEINSA-N 571.571 4.555 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 261000385 FAIXMLBAWXKOES-AMGIVPHBSA-N 586.154 4.669 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 261015140 VCOXDOLSHNCWAF-NGQVCNFZSA-N 595.762 4.930 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccccc2)cc1 261044539 ZBZCJQWRWCTTMB-XZOQPEGZSA-N 569.699 4.752 0 40 KJAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2)c1 408554355 RRFYNBULDHWXGG-LBPRGKRZSA-N 507.823 4.703 0 40 KJAB CCOC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 408589802 FPJVBANWPVQEDX-NRFANRHFSA-N 521.422 4.698 0 40 KJAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 408736317 ANPNVZMKEKGWHN-GOSISDBHSA-N 500.374 4.839 0 40 KJAB CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1cccc(OC)c1)C(C(=O)Nc1ccccc1)=C(C)N=2 408782332 FUCVKMGQDIZMOY-DBXPASCUSA-N 560.075 4.935 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408830402 RPOXMNRXLSKEFH-AIYGHVSQSA-N 639.513 4.714 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408857679 VSJJACQKUJMUOM-LWUPDDLQSA-N 541.069 4.638 0 40 KJAB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(OC(C)C)cc3)c(=O)n21 408957274 SPCVGSPFPWFTMX-VVNKCDPRSA-N 585.520 4.745 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(OCC(C)C)cc3)c2=O)=N1 409019846 YLZRRJDXMVLZIZ-ABBNRAPFSA-N 534.678 4.622 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3cc(C(C)C)c(OC)cc3C)c2=O)=N1 409021884 DDMLFORBGPPNFW-JBDHCHCMSA-N 562.688 4.748 0 40 KJAB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Br)c1OCc1cccc(C(=O)O)c1 409073003 OIVGJIKGLXPJTL-SRZZPIQSSA-N 555.356 4.967 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4F)cc3)c(=O)n2[C@@H]1c1ccccc1OC 409098661 JCKFZDGYNSNOLN-RAWKODRKSA-N 585.701 4.830 0 40 KJAB COC(=O)[C@@H]1NC(c2cccc(C(F)(F)F)c2)(c2cccc(C(F)(F)F)c2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 409193333 JJWCDSCXHQRESN-BHDDXSALSA-N 562.466 4.918 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409195416 IPKJCHFOGNIRDC-QRVIBDJDSA-N 526.611 4.647 0 40 KJAB CCCOC(=O)c1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(Cl)c(Cl)c3)n2C)c1 409361960 RYOCUDSRQHWWIC-AWEZNQCLSA-N 550.468 4.911 0 40 KJAB COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2 524731272 QYJNWDQLTVVBPW-LADGPHEKSA-N 540.701 4.713 0 40 KJAB biogenic Cc1ccc(-c2cc(C(=O)N3CCN(C)CCCN(C(=O)CC(C)C)c4ccccc4C3)nn2C)cc1 643553894 GMGVTTFHXTZPNF-UHFFFAOYSA-N 501.675 4.753 0 40 KJAB N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1 643557212 WTYLOOKGDXFOCI-DEOSSOPVSA-N 532.512 4.784 0 40 KJAB CC(C)CCNC(=O)CN1CCCCCCOc2ccccc2N(CC(=O)NCCC(C)C)c2cncc(c2)C1=O 643584721 IKWPRYNNCLYBHE-UHFFFAOYSA-N 565.759 4.939 0 40 KJAB CN1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)CCCN(C(=O)c3ccc(-c4ccccc4F)o3)C2)CC1 2037905409 AWJAWXQVCJMAPC-PMERELPUSA-N 537.607 4.690 0 40 KJAB C[C@@H](C(=O)OCC(=O)OCCCCCC(=O)OCCCCO[N+](=O)[O-])c1ccc2cc(OC(=O)CCCCCO[N+](=O)[O-])ccc2c1 2061000442 OXVQYUJPHVAEKC-HSZRJFAPSA-N 664.661 4.796 0 40 KJAB O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1nc(-c2ccc(Br)cc2)cs1 1105154 LWRGWZVWQQMRLB-UHFFFAOYSA-N 571.526 4.716 0 40 KJAB COc1ccc(CCNC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)cc1OC 1465528 AXIXTEQQLXJICV-UHFFFAOYSA-N 509.653 4.532 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2cc(Cl)cc(Cl)c2)cc1 2648529 SZVCCPXOPZIKAT-UHFFFAOYSA-N 556.493 4.532 0 40 KJAB CCOC(=O)c1sc(NC(=O)c2ccccc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)nc1C 6146147 JETQSTYTBRMTPQ-UHFFFAOYSA-N 501.630 4.915 0 40 KJAB CCC(=O)NC(c1cc(OC)c(OC)cc1Br)c1cc(OC)c(OC)cc1Br 8952177 HHXUWPRORSNCDX-UHFFFAOYSA-N 517.214 4.862 0 40 KJAB Cc1ccc2[nH]c(SCC(=O)Nc3cccc(NC(=O)CSc4nc5cc(C)ccc5[nH]4)n3)nc2c1 9096237 FISGSTUIPITNBF-UHFFFAOYSA-N 517.640 4.913 0 40 KJAB COc1ccc(N(C(=O)c2ccc3c(c2)OCCO3)[C@H](C(=O)NC2CCCC2)c2ccc(O)cc2)cc1 12637641 FDTGPXDIMSDWOS-MHZLTWQESA-N 502.567 4.619 0 40 KJAB O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cnccn1)c1ccc2c(c1)OCCO2 12716125 ZDJIQIVMEVDZGZ-RUZDIDTESA-N 506.990 4.738 0 40 KJAB O=C(NC1CCCC1)[C@H](c1ccccc1F)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 13030089 CSPWBOANUBWCFF-MHZLTWQESA-N 503.553 4.538 0 40 KJAB CC[C@H](c1nnnn1C(C)(C)C)N(CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O 13494568 UYHOKOWKZSPDQJ-HSZRJFAPSA-N 518.662 4.791 0 40 KJAB COc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC 22253610 QKJATSJKSYJDKR-UHFFFAOYSA-N 522.667 4.765 0 40 KJAB COc1cc(NC(=S)NC(=O)c2ccc3nsnc3c2)ccc1NC(=O)c1cc2ccccc2o1 59294145 MYCBHHGKHWCMGL-UHFFFAOYSA-N 503.565 4.825 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(Cl)cc2Cl)cc1OC 59516207 PUVIXDDYMWOYLW-UHFFFAOYSA-N 523.438 4.883 0 40 KJAB COc1ccc([C@H](C)NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 59834694 DRJJBZUXGJIHRR-IBGZPJMESA-N 531.472 4.569 0 40 KJAB CCOc1ccc(N(CC(=O)NCc2ccccc2-n2ccnc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 60028125 ISAOVGPMRWKUDL-UHFFFAOYSA-N 539.057 4.745 0 40 KJAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 97952597 IXRHMLKURWCHPQ-MRXNPFEDSA-N 548.562 4.530 0 40 KJAB CCOc1ccc(C(=O)NCCn2cc(SCC(=O)NCc3ccc4c(c3)OCO4)c3ccccc32)cc1 97963894 ZPMKHAXTAYCOOR-UHFFFAOYSA-N 531.634 4.607 0 40 KJAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(Br)cc3)cc2)c1C 97982727 DXYWSXZJYYZOEL-UHFFFAOYSA-N 605.492 4.908 0 40 KJAB O=C(C[C@@H]1C(=O)N(Cc2ccccc2)C(=S)N1Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(Cl)cc1 97995467 OVBUFCOMDZKUJI-RUZDIDTESA-N 547.080 4.994 0 40 KJAB O=c1/c(=C\C(Br)=C/c2ccccc2)sc2n1[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 100689390 AUZKMLZHOPKJQJ-NLVOZZCYSA-N 500.421 4.753 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1OC 100818812 VQNMVNYMKKJGEZ-MYCYEZBNSA-N 548.517 4.995 0 40 KJAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](CC(C)C)N[C@@]32c3ccccc3-n3c2nc2ccccc2c3=O)c(Br)c1 101495252 UUJGVDLCRVCTAO-JXXDWEOVSA-N 583.486 4.837 0 40 KJAB COc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 103064809 DDORDQYWGXSOCD-UHFFFAOYSA-N 563.459 4.553 0 40 KJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O 103139567 XEDITLLEICTGBC-AREMUKBSSA-N 543.548 4.599 0 40 KJAB CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2cccc(C(=O)OCC(=O)NC34CC5CC(CC(C5)C3)C4)c2)C1 104518606 VTBWAIICRBJWCD-AHEDDJBKSA-N 528.715 4.518 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCc3nc4ccccc4n3C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 108449072 GGXTVKFRJSWYMI-DEOSSOPVSA-N 613.715 4.522 0 40 KJAB biogenic CCCCCCC[C@H](C)Oc1ccc(/C=C2\SC(=S)N([C@@H](CC(N)=O)C(=O)O)C2=O)cc1OCC 110708820 OQJDDWYUSIFTEO-VVZOCFDXSA-N 522.689 4.743 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 163715392 KQWOHLWLKSBJBM-YMSBRDKKSA-N 631.570 4.607 0 40 KJAB CCOc1ccccc1N(CC(=O)NCc1ccccc1-n1ccnc1C)S(=O)(=O)c1ccc(Cl)cc1 216365809 IRUVLTZQMPBOKG-UHFFFAOYSA-N 539.057 4.745 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cc(C)c(Br)c(C)c1 222668682 BYHIWIOOSRKPJL-CQSZACIVSA-N 502.236 4.915 0 40 KJAB CCOc1ccc(N(CC(=O)NCc2ccc3ccccc3c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 222765035 BTCHMRNNLQWFLI-UHFFFAOYSA-N 534.634 4.767 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 222782677 NTXAKRJAIKQUFE-SANMLTNESA-N 576.546 4.780 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3C[C@@H](C(=O)NCCc4ccccc4)Oc4ccccc43)cc2)cc1 222875673 BGBSBLJPILNMHJ-HKBQPEDESA-N 583.710 4.882 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 223345235 FENXXBVZFOXCPD-LJQANCHMSA-N 542.529 4.710 0 40 KJAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 223535053 BQCIWCVDHIMXPR-XMMPIXPASA-N 553.700 4.706 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O 223701787 CAICDHDNNDWMDI-MHZLTWQESA-N 606.572 4.934 0 40 KJAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2F)o1 223704209 YEWIUJZYBDFHQZ-NHCUHLMSSA-N 504.381 4.779 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 223730866 HBIQSGJUSKSUDU-JOCHJYFZSA-N 542.101 4.706 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(SCc3ccccc3)s2)c2ccccc2)cc1 223768514 XARFRHATDITZMD-UHFFFAOYSA-N 526.665 4.673 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 223790100 GYFVBEHSSMTCBO-AJTFRIOCSA-N 630.605 4.779 0 40 KJAB Cc1cc(C)cc(N(CCCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 223824277 VONHGVBNBKFZBI-QFIPXVFZSA-N 548.149 4.979 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 223927013 PHGMQDCCEKDWJU-IBGZPJMESA-N 608.544 4.759 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 223952478 SHBXVPZOEJGJTA-MRXNPFEDSA-N 560.931 4.889 0 40 KJAB O=C(O)c1cc(C(=O)O)cc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)c1 224031000 LJFCYLQZIWHPNK-RPWUZVMVSA-N 529.530 4.644 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224220277 AAMJKDZGSDDTOW-MRXNPFEDSA-N 548.920 4.602 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 224257757 VDSVGIDKMAHEHJ-NDEPHWFRSA-N 570.155 4.889 0 40 KJAB CN(C)S(=O)(=O)N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)c1ccccc1 224341697 WGIYYYAKEWFKIZ-MHZLTWQESA-N 585.170 4.508 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224365791 BRHDXOQMDYFZBP-AREMUKBSSA-N 556.128 4.661 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 224372872 CLLPXLDTLWTKFZ-SANMLTNESA-N 574.118 4.800 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224388745 KCDZGZNTAUDNOP-NDEPHWFRSA-N 611.736 4.904 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)N(C)C)c1 224412929 PIUBWDSDWHQWJM-LJAQVGFWSA-N 596.769 4.610 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 224660317 UQCQZFISZIUBRD-RUZDIDTESA-N 536.138 4.774 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 224661918 GWHXNNRMNKFPOR-IBGZPJMESA-N 564.054 4.755 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224680104 VCFWNKZMOPQSMV-FQEVSTJZSA-N 590.515 4.725 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)c1 224714982 DZBJZUPEXIMFIC-NRFANRHFSA-N 534.122 4.589 0 40 KJAB COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224779508 JWGRZRYAAGGEGX-UHFFFAOYSA-N 503.418 4.839 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 225079276 LDUUFPMKMMAECB-RUZDIDTESA-N 548.149 4.979 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 225105399 WENJYHKUQMNTRF-MHZLTWQESA-N 623.578 4.910 0 40 KJAB CC[C@@H](C(=O)Nc1ccc2c(c1)sc(=O)n2CC)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 225117017 WKEIZRZRTQFUNI-INIZCTEOSA-N 502.445 4.573 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(N(C)C)cc2)cc1 225221670 GBHVMNSSGCGBCW-NSOVKSMOSA-N 526.666 4.700 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 225269927 PHPHLKJDFAOOPB-MUUNZHRXSA-N 587.689 4.892 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 225461904 ZUVJTSBXQBVVAS-RBJSKKJNSA-N 535.710 4.912 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 225483645 AXAQCEZHNHJARG-LJAQVGFWSA-N 567.727 4.928 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Br 225515152 HCMQAHGEPPFLKT-JOCHJYFZSA-N 515.835 4.867 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225561771 ASAVSIBGWBRHQO-PMERELPUSA-N 615.752 4.594 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 225568480 LSXSUYWLNOJSED-PWUYWRBVSA-N 565.736 4.921 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 225645260 DKTKKJYBAVGCQZ-AJTFRIOCSA-N 539.673 4.743 0 40 KJAB NC(=O)Cc1ccc(NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 226023078 BISBUHULKNKGPD-UHFFFAOYSA-N 540.856 4.504 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)Cc2ccccc2)cc1Cl 226051210 LSKLEUNJYROVPX-HKBQPEDESA-N 634.154 4.693 0 40 KJAB CNc1nc(-c2ccc(OC)c(NC(=O)COc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3)c2)cs1 226084861 AGSYYFKZHSNEAW-UHFFFAOYSA-N 554.650 4.687 0 40 KJAB COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCc2ccc(C)cc2)cc1 260719674 LMFHMKSMNMXISW-MGBGTMOVSA-N 613.780 4.722 0 40 KJAB CC[C@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2O1)c1ccc(OC)c(C)c1 260815201 UIJQVRKJLQKZQP-WNCULLNHSA-N 508.640 4.844 0 40 KJAB CC[C@@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)c1ccc(OC)c(C)c1 260846715 YGGJXHUOKCKVLG-PXDATVDWSA-N 515.031 4.881 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 260873146 BEXHCWZDHTZXFB-VGSWGCGISA-N 562.054 4.847 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 261014091 UWWPUBRXKASPCA-OZXSUGGESA-N 545.746 4.580 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 261059265 NNEKDTTWDSHKQN-RPWUZVMVSA-N 583.726 4.978 0 40 KJAB Cc1cc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NCC(C)C)ccc1Br 408573618 DVWVAHSYGHIRNI-UHFFFAOYSA-N 550.251 4.569 0 40 KJAB CCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)NCc2ccc(C)cc2)cc1 408579121 MVJVURIVDOVCJX-UHFFFAOYSA-N 504.974 4.641 0 40 KJAB COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 408612093 YHVRMMGIRSBURA-UHFFFAOYSA-N 528.936 4.863 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCN(c3cccc(C)c3C)CC2)c(C)c1 408625007 VCZUGDDKUQYKHT-UHFFFAOYSA-N 533.738 4.811 0 40 KJAB COc1cc(OC)cc(-c2nc(S/C(=C\c3cc(Br)c(I)o3)C(=O)O)n[nH]2)c1 408633775 PFOKXSXTWZUDTR-QPEQYQDCSA-N 578.182 4.667 0 40 KJAB CCc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408650410 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CCOc1ccc(N(CC(=O)NCc2ccccc2-n2ccnc2C)S(=O)(=O)c2ccc(SC)cc2)cc1 215919396 WXJFCRNMVWMBEG-UHFFFAOYSA-N 550.706 4.813 0 40 KJAB O=C1NC(=O)[C@H]2[C@@H](c3cn(Cc4ccccc4)c4ccccc34)c3sc(=O)n(-c4ccccc4)c3S[C@@H]12 222103314 NHKZNQOKWPYMRU-TZRRMPRUSA-N 523.639 4.781 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](CC)C(=O)NC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 222481243 QWSGYUFJPRUVGB-LJAQVGFWSA-N 625.788 4.938 0 40 KJAB CC(=O)c1cccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c1 222852064 XCMUKPQUNBOBCW-LJAQVGFWSA-N 642.616 4.830 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 222880607 KIFVFMYCMVIQPQ-MHZLTWQESA-N 605.679 4.646 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 223379370 FAOUZWDCEKCVGP-VWLOTQADSA-N 578.518 4.751 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223437226 JZLDIKWOEWHXCT-MHZLTWQESA-N 604.144 4.810 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)NCCC(C)C)c2ccccc2)cc1 223452306 SINMOQUCJUGQCE-SSEXGKCCSA-N 567.727 4.989 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)S(=O)(=O)c1ccccc1 223490905 QXTMHXMRZVBDRN-UHFFFAOYSA-N 501.608 4.905 0 40 KJAB COc1cccc(OCCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 223588874 VJPRCYSVNVBLRM-UHFFFAOYSA-N 523.438 4.701 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 223648508 VUQPYFQCXNHWGR-QFIPXVFZSA-N 586.552 4.815 0 40 KJAB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224371667 AZCQBYMBALCWAS-UHFFFAOYSA-N 626.584 4.559 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 224372864 MUKKCSUTJYZOEA-HHHXNRCGSA-N 553.700 4.890 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 224377859 WFFAVYUARCHWJK-HHHXNRCGSA-N 573.662 4.502 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224451818 IVNROQMFRKHOOK-FQEVSTJZSA-N 568.445 4.722 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 224745322 NPVYHKUEDUIXQW-JOCHJYFZSA-N 542.101 4.787 0 40 KJAB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(CCOC)c2C)cc1OC 225184587 MDGBEEJVEQOJAM-UIOOFZCWSA-N 507.660 4.681 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 225299522 KDCMRTVSFGCQES-QHCPKHFHSA-N 571.571 4.557 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(N(C)C)cc2)ccc1OC 225301937 HBWFNCILBFKMCV-WDYNHAJCSA-N 556.692 4.709 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 225396127 BDFRBMLKJYBMPF-LJAQVGFWSA-N 565.736 4.841 0 40 KJAB CCCCn1c(SCC(=O)N2CCN(c3ccccc3OC)CC2)nc2c(-c3ccccc3)c[nH]c2c1=O 225539582 VIWZCPGTTWPBAP-UHFFFAOYSA-N 531.682 4.641 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 225663861 GAQZMABSSNQUMJ-FTJBHMTQSA-N 501.612 4.534 0 40 KJAB Cc1ccc(C)c(N(CCCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 225669871 UETAVBYFALSOAE-QFIPXVFZSA-N 536.138 4.693 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(Br)cc1 225705284 SJPVMMMUXVMIGV-INIZCTEOSA-N 526.269 4.780 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(-c4csc(NC)n4)ccc3OC)CC2)cc1Cl 226047387 UJNFWIOWZQBQMG-UHFFFAOYSA-N 565.117 4.952 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)c2ccc(Br)cc2)cc1 260764634 USSKKOQEKRHANH-HSZRJFAPSA-N 600.579 4.937 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC)S(=O)(=O)c2ccc(Cl)cc2)cc1 260765738 RKVJVXCTWMKGAA-LJQANCHMSA-N 622.969 4.860 0 40 KJAB COc1cccc(CN(C(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1 260815140 VNLLDIIZNRQDCX-GOSISDBHSA-N 572.555 4.880 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 260926032 HCZMEOGXYKXNKU-HOFKKMOUSA-N 553.700 4.786 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 260933161 BMKJCSKGEUVWNM-SSEXGKCCSA-N 561.748 4.714 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 261004963 FVHXFJHYRURDRL-FIPFOOKPSA-N 614.606 4.933 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 408584204 MYWBKVIBXCIKOF-UHFFFAOYSA-N 508.640 4.736 0 40 KJAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1OC 408615673 CAHFESDYZNJHGY-UHFFFAOYSA-N 603.697 4.519 0 40 KJAB COC(=O)c1c(NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)sc2c1CCC2 408620223 NMEAROLUALQUSP-INIZCTEOSA-N 514.625 4.609 0 40 KJAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Cl)cc1Cl 408641695 LBWQZYOIGIAFTG-VRWZUIASSA-N 529.807 4.940 0 40 KJAB O=C(COC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)Nc1ccc(Br)c(Cl)c1 408653576 IOJBLGDJYLTUPW-JTQLQIEISA-N 520.594 4.944 0 40 KJAB Cc1c(Br)ccc(NC(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1C 408681987 JXQRRKFMNQMOJV-OBGRCSDXSA-N 587.470 4.828 0 40 KJAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](c5ccccc5)CC[C@H]4C3=O)cc2)cc1 408688315 QNYPVIVHRIOBBT-FDJWOJMMSA-N 539.588 4.514 0 40 KJAB Cc1c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H](C)C=CC[C@H]4C3=O)cc2)ccc(Br)c1Cl 408688910 RHSLHDLGWMUEMB-IFCGJNOESA-N 545.817 4.908 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OCC)c(OCC)cc3Br)c(=O)n2[C@@H]1c1ccc(C)cc1 408832699 IIQPNQWKQOHRAS-AQIZGWBQSA-N 585.520 4.667 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408850845 SCSFRRQIFQUZCO-LWUPDDLQSA-N 615.546 4.755 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C/c3cc(Br)c(N4CCCCC4)o3)c2=O)=N1 408861562 BUASJAKWRNCNDS-LBKCIFGTSA-N 614.562 4.933 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(C)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408916120 UYYMSKROXPZHJQ-ZHGFHMGHSA-N 563.679 4.826 0 40 KJAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C2=O)cc1 409016804 JHEXDTKXQUHCOB-ZVHZXABRSA-N 541.995 4.773 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OC(C)C)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409083501 BDYYBVJGMZEZKZ-FQKMCRJQSA-N 614.164 4.570 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c[nH]c4ccccc34)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409096471 FTCOWNWBJCTOTQ-RGDUZTMSSA-N 550.684 4.747 0 40 KJAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)cc1OC 409158344 XEWUDAQXYLLCKR-JAIQZWGSSA-N 518.975 4.599 0 40 KJAB Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc2)c1 409164425 IIYFVVYPEMDPCV-OEAKJJBVSA-N 519.554 4.827 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409198581 IBMYFAUZXKQTIX-ACPPCLIOSA-N 627.763 4.550 0 40 KJAB Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)c(C)n1NC(=O)c1ccccc1 409200262 HTDMFLXZZXBSBX-MTJSOVHGSA-N 508.987 4.817 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1I 409229929 WBONXOLEQXQAML-CAOOACKPSA-N 710.259 4.652 0 40 KJAB CCOc1cc(C(=S)N2CCN(c3ccc(F)cc3)CC2)ccc1OCC(=O)Nc1ccc(F)cc1 409256411 OKCGXQIVOXWKMU-UHFFFAOYSA-N 511.594 4.879 0 40 KJAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(O)c(I)c3)C2=O)c1 409268612 WOMLDXZCCRWGSE-LZYBPNLTSA-N 634.233 4.893 0 40 KJAB CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1cc(Cl)ccc1C 409363825 VGODBJYYLIBFJU-PKNBQFBNSA-N 504.443 4.974 0 40 KJAB Cc1ccc(CN(CC(=O)O)C(=O)c2ccc3c(c2)Cc2cccc(c2)CN(C(C)C)CCOCCO3)cc1 643579912 KYQYMIXTNKOXCN-UHFFFAOYSA-N 530.665 4.932 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)S(=O)(=O)c3ccc(C(C)=O)cc3)cc2c1 918559 KYTSLPSKHQOLRX-UHFFFAOYSA-N 508.571 4.660 0 40 KJAB CCCc1cc(=O)n2c(C(=O)Nc3ccc(C)c(Cl)c3)c(C(=O)Nc3ccc(C(=O)OC)cc3)sc2n1 1906931 DKGLXGOMSOZYDN-UHFFFAOYSA-N 539.013 4.962 0 40 KJAB COC(=O)c1c(NC(=O)CC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)sc2c1CCCCC2 2106513 GGLWTWDDLVZCLR-UHFFFAOYSA-N 518.657 4.888 0 40 KJAB O=C(c1ccc(NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)N1CCN(c2ccccc2F)CC1 3642860 ZYVZQNPTRMKSAP-UHFFFAOYSA-N 509.581 4.663 0 40 KJAB COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)CN2N=N[C@@H]4C(=O)N(c5cccc(F)c5)C(=O)[C@@H]42)[C@@H]3c2ccc(OC)cc2)cc1 8454987 RGNHPDLKVCRLRF-KALJEGAGSA-N 622.657 4.959 0 40 KJAB COc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3[C@]23N=C(c2ccccc2)OC3=O)cc1 8770791 PMGLUWPDZIVUOU-YSRRZRNESA-N 507.590 4.909 0 40 KJAB O=C(Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCCC2)c1sc2ccccc2c1Cl 9427854 KDXJMOXMFDZGOA-GFCCVEGCSA-N 509.074 4.664 0 40 KJAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 11666893 HIPSXDDTBSTRCU-UHFFFAOYSA-N 514.028 4.890 0 40 KJAB CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(NC(=O)/C=C/c3ccc4c(c3)OCO4)scc12 11757946 PRLHSSAQOGLWOG-ONNFQVAWSA-N 523.954 4.658 0 40 KJAB CCOc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccccc2F)c1 12713707 ALKGLSWXEYBJLD-SANMLTNESA-N 503.578 4.658 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(F)cc2)c(C)c1 13668275 GEIJGXHEFFTBHJ-UHFFFAOYSA-N 514.575 4.544 0 40 KJAB Cc1cccc(CSCCNC(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)c1 13676742 DRPNQEWMEPDGLN-XMMPIXPASA-N 517.072 4.654 0 40 KJAB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2Cl)CC1 14276955 WPHYJIBLDMPLIE-XVNBXDOJSA-N 511.862 4.842 0 40 KJAB CC[C@H](NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1 19934417 RNKPVFABTFQJDG-QFIPXVFZSA-N 503.020 4.820 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)[C@@H]1COc2ccccc2O1 20061073 LFBAQGAGMRHKGB-FQEVSTJZSA-N 512.893 4.938 0 40 KJAB COc1ccc([C@@H](C)NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1OC 22532689 UONXUESUGYILRS-QGZVFWFLSA-N 503.020 4.814 0 40 KJAB COc1ccccc1N1CCN([C@@H](c2cccs2)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 23182131 LPCCNQLHTMODIV-MHECFPHRSA-N 506.093 4.640 0 40 KJAB COC(=O)c1cc(Br)ccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 25391007 TWMLENVFOOKNOR-UHFFFAOYSA-N 517.401 4.622 0 40 KJAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)cc1F 33058643 XDRVXDHCJDRCBH-UHFFFAOYSA-N 516.598 4.515 0 40 KJAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OCC)c(Cl)c3)cc2Cl)CC1 59331714 WNUGVLGKNSTTBT-UHFFFAOYSA-N 523.486 4.968 0 40 KJAB COc1ccc(Br)cc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 59331944 OETSGQITZVRMFS-UHFFFAOYSA-N 518.795 4.919 0 40 KJAB COC(=O)Cc1c(C)c2ccc(OC(=O)C3CCC(CNC(=O)OCc4ccccc4)CC3)c(C)c2oc1=O 70691763 PYMHKOFNVIPPQV-UHFFFAOYSA-N 535.593 4.764 0 40 KJAB COCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(Cl)c3)N2C1=O 70700650 NUIMEVTUDHLKDJ-AZGAKELHSA-N 528.996 4.680 0 40 KJAB biogenic CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)sc2c1CCN(Cc1ccccc1)C2 97963452 XQGSNNLJPZKLOQ-UHFFFAOYSA-N 555.722 4.766 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccc(OS(=O)(=O)c3cc(C)ccc3C)c(OC)c2)c1 97980140 QZTLRLANRGGTNQ-RVDMUPIBSA-N 657.811 4.599 0 40 KJAB COc1ccccc1NS(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)c1 97982899 ZNDMFQQZDBRMAM-UHFFFAOYSA-N 654.742 4.833 0 40 KJAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(Br)cc1I 100292568 CYSIYINXJHGIRL-UHFFFAOYSA-N 525.593 4.843 0 40 KJAB 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CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCc5ccc(C(=O)O)cc5)c(OC)c4)c(=O)n32)cc1OCC 408933639 BSIDDYGWXVVXDC-MGQZUQOPSA-N 770.598 4.706 0 40 KJAB COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Br)o4)c(=O)n32)ccc1C 408984497 HTIKRPFUDNUFOV-OBVMJLIASA-N 564.461 4.546 0 40 KJAB CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)NC1=S 409008016 UPQMDNMZXVJSLO-SXGWCWSVSA-N 608.214 4.691 0 40 KJAB CCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 409018097 QYSMJBAXYSIMLX-ARYJOXFRSA-N 530.671 4.786 0 40 KJAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3cccc(C)c3)c(OC)c2)C1=O 409075406 YIHNGTUUSJIJDU-YRIIZNAFSA-N 567.401 4.785 0 40 KJAB CCOc1ccc(Cl)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OC)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 409078497 IJJUKIYYMDLYJZ-ABBNRAPFSA-N 560.075 4.935 0 40 KJAB CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2c(C)cc(Br)cc2C)c1=S 409168558 MOPRUXPUCISMME-UHFFFAOYSA-N 516.465 4.690 0 40 KJAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)C1=O 409220783 FREZVRMHWAKLHQ-OEAKJJBVSA-N 578.419 4.820 0 40 KJAB O=C(COc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O)Nc1ccccc1 409334237 VITOWDKZCMDTDS-HYARGMPZSA-N 505.527 4.518 0 40 KJAB O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)Nc1ccc(Br)cc1 409390252 KHLYITBICJYHAP-UHFFFAOYSA-N 501.402 4.608 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccc(Cl)c(Cl)c2)cc1 409408498 DBLMQBXHLCYOMU-UHFFFAOYSA-N 582.531 4.920 0 40 KJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1Cl 409412391 VXDKCGDWKDCIOK-UHFFFAOYSA-N 548.086 4.876 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cc4cccc(F)c4[nH]3)CCO2)C1=O 643557320 RRLFQLQKMXJGBY-PMERELPUSA-N 521.633 4.952 0 40 KJAB COCCn1c(C(=O)N2CCC3(CCCCc4ccccc4O[C@H](C)C(=O)NC3)CC2)cc2ccccc21 643562326 QARUYQVTMXBFDI-HSZRJFAPSA-N 517.670 4.820 0 40 KJAB O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 637862 LVNIWYQGDDJVLH-UHFFFAOYSA-N 507.395 4.594 0 40 KJAB CC[C@@H](C(=O)NCc1ccc(F)cc1)N(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)c1cc(C)ccc1C 887981 JHKVZDBNNUSKKI-VWLOTQADSA-N 514.605 4.533 0 40 KJAB COc1ccc2c(c1)c(CC(=O)N1CCN(C(=O)c3ccccc3)CC1)c(C)n2C(=O)c1ccc(Cl)cc1 1102709 HCJZFFIWRCBJKQ-UHFFFAOYSA-N 530.024 4.827 0 40 KJAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4F)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1 2148270 GGAXUDHLIQXPKP-PQRKSKNISA-N 572.658 4.915 0 40 KJAB CC(=O)c1ccc(NC(=O)CSc2nc3nc4c(cc3c(=O)n2-c2ccccc2)COC(C)(C)C4)cc1 2323126 BOOQWTIFWSCICY-UHFFFAOYSA-N 514.607 4.565 0 40 KJAB CCCCCCn1c(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C(=O)OCC)c2nc3ccccc3nc21 3187128 NDDLIOVZLGKGQX-UHFFFAOYSA-N 527.581 4.576 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C)c3ccccc3)n2-c2ccccc2)c1 3259965 LUCPDKNXVHCOSD-UHFFFAOYSA-N 535.695 4.720 0 40 KJAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 3295994 MYDKKSBSWWOKFB-INIZCTEOSA-N 533.433 4.924 0 40 KJAB COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(=O)c3ccc(C(F)(F)F)cc3)n(C)n2)cc1OC 8635497 FGDHIQMQGFYNDK-BWAGFHJFSA-N 528.575 4.731 0 40 KJAB biogenic,in-vitro COc1ccc(OC)c(Nc2nc(N3CCN(c4ccccc4)CC3)nc3c2cnn3-c2ccccc2)c1 9573598 COJVLZCLHOAZTH-UHFFFAOYSA-N 507.598 4.903 0 40 KJAB Cc1cccc(CSCCNC(=O)c2ccc(CN(c3ccccc3F)S(=O)(=O)N(C)C)cc2)c1 9694839 NIGICJXQPNSUFX-UHFFFAOYSA-N 515.676 4.610 0 40 KJAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)cc1OCC 10543993 OIRQKLDEEMVSLV-IBGZPJMESA-N 504.649 4.548 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)c(OC)c1 13032638 INOPCYQPCXZLDD-RUZDIDTESA-N 521.643 4.589 0 40 KJAB CCC(=O)Nc1cc(C(=O)CSc2nnc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)n2)ccc1OC 13566976 VAXFTPFPXFNINM-UHFFFAOYSA-N 516.579 4.949 0 40 KJAB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1nc(-c2cccc(Cl)c2)cs1 13572601 PBSUVWUPAULGHC-GOEBONIOSA-N 517.101 4.701 0 40 KJAB COCCCNC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 13585594 CAAPJMDEZDLXJQ-UHFFFAOYSA-N 517.047 4.575 0 40 KJAB COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 20462083 XSTRPVSRISMEHZ-MUUNZHRXSA-N 517.029 4.954 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSc3ccc(OC)c(OC)c3)cc2)cc1 30865158 BJRIUEMQHPXABB-UHFFFAOYSA-N 502.614 4.634 0 40 KJAB O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1Cc1ccc2c(c1)OCO2)Nc1ccc(Br)cc1 33358353 VTCCOPDZUWCGLX-FQEVSTJZSA-N 538.423 4.709 0 40 KJAB O=C(c1cc(-c2ccccc2)n(-c2nc(-c3cccc(O)c3)cs2)n1)N1CCN(c2ccccn2)CC1 33435907 JNEKNFKTENQZFO-UHFFFAOYSA-N 508.607 4.726 0 40 KJAB COCCN(CCOC)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)C[C@H](C)C2 33580984 RYRYNBUNLCFZFO-HFBCPUAESA-N 502.611 4.636 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)N(Cc3ccco3)C[C@@H]3CCCO3)cc2c1 57608197 ODFLCCQVSKPKCX-WIOPSUGQSA-N 504.635 4.586 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Cl)c1OCC(=O)O 97961089 RVSRHFKYAZXGNQ-RQZCQDPDSA-N 525.366 4.531 0 40 KJAB O=C1[C@H]2[C@H](Cc3ccccc3)N[C@]3(C(=O)N(Cc4ccc(F)cc4)c4ccccc43)[C@@H]2C(=O)N1Cc1ccccc1 98006388 QNNLWPJUJVOMJH-WXJAXAPPSA-N 545.614 4.584 0 40 KJAB O=C1[C@@H]2CC(c3ccccc3)=C3[C@H]4C=C[C@@H]([C@H]5C(=O)N(c6ccccc6)C(=O)[C@H]45)[C@@H]3[C@H]2C(=O)N1c1ccccc1 100047499 YONVALWGSMMQED-IVKZCDPISA-N 526.592 4.888 0 40 KJAB CCn1c2ccccc2c2cc([C@@H](C(=O)NC[C@@H]3CCCO3)N(C(=O)Cn3nnc4ccccc43)C3CC3)ccc21 100336712 QZUWEUULKSKYSY-FWUCURJTSA-N 550.663 4.587 0 40 KJAB CCOc1ccc([C@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 100362974 RJCKTJSWDKYERR-WJOKGBTCSA-N 533.632 4.917 0 40 KJAB CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)c1 100371167 AINJNJTWKJFKMS-UHFFFAOYSA-N 532.666 4.573 0 40 KJAB CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CCN(Cc1ccccc1)C2 100817669 SRMYMKBZRRDZNF-UHFFFAOYSA-N 567.733 4.910 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 112252951 REIBPBVTLGADNY-UHFFFAOYSA-N 580.128 4.522 0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 140045887 IEABOBFYCSIZHM-UHFFFAOYSA-N 571.080 4.678 0 40 KJAB O=C(CSc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)N2CCN(c4ccccc4)CC2)cc1)OCO3)NCc1ccccc1 150440615 KEYHBDMMQYRKOZ-UHFFFAOYSA-N 647.757 4.544 0 40 KJAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)N3C[C@@H](C(=O)NCc4ccccc4)Oc4ccccc43)cc2)c1 222694854 GOWQQZVQJPBOKE-PMERELPUSA-N 585.682 4.594 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 222725007 COLDWURWKJAUEB-RUZDIDTESA-N 620.555 4.654 0 40 KJAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21 222801407 IRDYVMUUKINWRV-SSEXGKCCSA-N 620.127 4.981 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 222806419 XEUOQMIHNUQQOS-LJAQVGFWSA-N 565.736 4.839 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 222951340 HNSSJULPMPSXJJ-DEOSSOPVSA-N 521.683 4.524 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 222977307 LRUJEZNXUVMKGF-SANMLTNESA-N 542.101 4.706 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc(Br)cc1 222988454 YIMDUPYRHZFKDO-HNNXBMFYSA-N 528.310 4.998 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223028921 JPMSDZYZUCRDBF-SFHVURJKSA-N 572.953 4.511 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(SC(C)C)s2)c2cccc(Br)c2)cc1 223350156 LSPKEVXBUOVRRU-UHFFFAOYSA-N 541.518 4.944 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 223392987 XPBSIPHYEPDEFR-MRXNPFEDSA-N 593.371 4.856 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223501033 MZNYSCLRALLCOU-LJQANCHMSA-N 572.555 4.882 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 223692487 ZCBIDCRKEDKSTQ-QFIPXVFZSA-N 542.101 4.706 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 223838107 QPSNZVIOXRUPLF-QFIPXVFZSA-N 564.482 4.761 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223862890 FFIMOOTUEBGLPI-FQEVSTJZSA-N 636.142 4.644 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 224021057 YJMCPDSXSCNTMJ-DEOSSOPVSA-N 563.720 4.675 0 40 KJAB COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C[C@@H]2CCCO2)cc1Cl 224047337 KNEHARPCICPGHA-PNTFMKQHSA-N 513.063 4.918 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C 224139105 WFOUSCKKNJULQR-QFIPXVFZSA-N 536.138 4.693 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 224482928 MHABUXGNOYHQII-QHCPKHFHSA-N 587.545 4.612 0 40 KJAB CSc1ccc(S(=O)(=O)NCc2cccc(CN3CCCCC3)c2)cc1C(=O)N1CCC(C)CC1 224679364 LRJAZQFKVRWDSI-UHFFFAOYSA-N 515.745 4.745 0 40 KJAB COc1cccc(OCCNC(=O)c2ccc(CN(c3c(C)cccc3C(C)C)S(C)(=O)=O)cc2)c1 224859877 WPWRLKJKOGCKOM-UHFFFAOYSA-N 510.656 4.902 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)cc1 224934669 REXWAFJLGUSMNX-DEOSSOPVSA-N 593.746 4.765 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 225004607 QQUZZOMVVMKXMX-SANMLTNESA-N 626.573 4.539 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 225033689 FXYAWBUZVNKOLU-LOSJGSFVSA-N 565.736 4.672 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 225035630 GATZAZNUTYTDQK-FGZHOGPDSA-N 536.138 4.835 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 225074463 AOZUGFWCIAQSOK-MHZLTWQESA-N 535.710 4.832 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 225310743 OXVAWIAHSRJODW-NDEPHWFRSA-N 565.736 4.871 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 225330395 SVHCYPINKJLPQP-HSZRJFAPSA-N 542.529 4.728 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 225354240 ABMVFWFHDUDMJW-GDLZYMKVSA-N 563.764 4.934 0 40 KJAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)ccc1NS(C)(=O)=O 225459856 BXNYIUZDRIMXMA-JWQCQUIFSA-N 503.653 4.729 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 225558977 GIJLEXINRWRRND-RUZDIDTESA-N 596.071 4.819 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 225584751 KOJMIXKJRRZXPE-WJOKGBTCSA-N 599.753 4.893 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 225606193 DGZSTVQQPIATPP-HXUWFJFHSA-N 620.555 4.902 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 225642399 NDDPBQYPJHTHFQ-HXUWFJFHSA-N 620.555 4.902 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 225725148 FGQRXUALCRLWBS-LJQANCHMSA-N 586.980 4.838 0 40 KJAB Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc1 226403129 OWCWMOYRZUFRIP-OORLYFNWSA-N 509.389 4.595 0 40 KJAB CN1CCN(C(=O)CC2(COc3ccc(F)cc3)CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 257253119 JXPVRUSLMANZJU-UHFFFAOYSA-N 522.448 4.598 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)c1 260899175 NNVRLZMDYRLTAW-JOCHJYFZSA-N 602.153 4.742 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 260964397 HQWUPJHNBMKNNC-MUUNZHRXSA-N 567.727 4.709 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 261002467 RYOSNTZLXBTBBO-BWKNWUBXSA-N 551.709 4.859 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 261021181 WCEMVPDPGHRFJC-LEWJYISDSA-N 552.137 4.617 0 40 KJAB COc1ccccc1N1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2cc(C)ccc2OC)CC1 408590424 HEURNTWNWLOACM-UHFFFAOYSA-N 577.625 4.575 0 40 KJAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408597475 WVIVXDMQVVTOIU-QFIPXVFZSA-N 531.600 4.608 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)c2ccc(C)cc2)cc1 408602040 BYXKMUJUOYLBKY-UHFFFAOYSA-N 523.655 4.756 0 40 KJAB COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)cc1OC 408606380 PCIBWPYFMXETOJ-UHFFFAOYSA-N 572.989 4.915 0 40 KJAB COc1cc(NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(OC)cc1Cl 408610415 QPSJOXOUJOKXMT-INIZCTEOSA-N 504.992 4.943 0 40 KJAB Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1C 408641971 LQHJAHUREUKIDJ-IKHFXIEDSA-N 523.416 4.903 0 40 KJAB Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408660330 PRKCMNJVJALZFV-RJBHIAPGSA-N 505.401 4.915 0 40 KJAB CC(C)OC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2)cc1 408661015 AMKSAXCLEBOMFZ-UHFFFAOYSA-N 539.810 4.958 0 40 KJAB O=C(Nc1ccc(Br)c(Cl)c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 408681297 RMWGIQOHBCQRSY-UHFFFAOYSA-N 506.249 4.936 0 40 KJAB Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N([C@H](C)c1ccccc1)C2=O 408683281 HTBVUKBUYQABOL-MRXNPFEDSA-N 521.367 4.910 0 40 KJAB CCOc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 408684355 JSHQUSULBQUQMP-VIFPVBQESA-N 534.179 4.865 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408734748 JCMYRYLPTAVPIG-LMSRTUJASA-N 645.572 4.766 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cccn2-c2ccc(Br)cc2)C1=O)N1CCN(c2ccccc2)CC1 409013344 NBEKFESJJYNSLQ-HAVVHWLPSA-N 551.466 4.625 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2cc(C)cc(C)c2)cc1 409113884 JHQXMEDBLPLSGI-UHFFFAOYSA-N 512.075 4.809 0 40 KJAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cc(I)c(O)c(I)c2)C1=O 409173284 ONROJJCGAKGSNY-OVCLIPMQSA-N 620.206 4.585 0 40 KJAB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(=O)N4CCCC4)c(OCC)c3)C2=O)ccc1Cl 409353511 MIVNENXAZYLOHR-OYKKKHCWSA-N 616.092 4.592 0 40 KJAB CCn1c(SCC(=O)NCCc2ccccc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 409354646 AAXQUCRLLUBNMO-HNNXBMFYSA-N 506.459 4.547 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(Cl)cc3)n2C)sc2c1CCCC2 409363792 VDXWYAHTRFASGQ-CQSZACIVSA-N 562.117 4.807 0 40 KJAB CC(=O)N1CCCCCCCN(C(=O)Cc2cc(Cl)c3c(c2)OCCCO3)Cc2ccc(CO)cc21 643562009 DVZGYSGFNHNPJM-UHFFFAOYSA-N 515.050 4.882 0 40 KJAB CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)N[C@H](C)COc2ccccc2Oc2ccc(Cl)cc2)NC(=O)c2ccccc2OCCN(C)C1=O 643578888 IOPMLYIJGHWXQY-KEKPKEOLSA-N 665.187 4.586 0 40 KJAB O=C(CSCc1nc(O)c2nnn(Cc3ccccc3Cl)c2n1)Nc1ccccc1C(F)(F)F 1221419 MGLGATAPAOMZHS-UHFFFAOYSA-N 508.913 4.519 0 40 KJAB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1O 1274657 YZUYFDBAUXUNHL-SJBKTWHCSA-N 574.225 4.977 0 40 KJAB Cc1ccccc1CN(C(=O)CN1C(=O)C(=O)c2ccccc21)C1(C(=O)Nc2ccc3c(c2)OCO3)CCCCC1 8712845 KBPQOGJGVPJUFW-UHFFFAOYSA-N 553.615 4.623 0 40 KJAB CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 13494883 GUIUCXMYXQHQOP-AREMUKBSSA-N 522.609 4.754 0 40 KJAB CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 13495847 WAXOXSSFZNHMPG-UIOOFZCWSA-N 500.647 4.506 0 40 KJAB COc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@H]3C23C(=O)OC2(CCCC2)OC3=O)cc1 13512788 FYDCOKDZCCELBK-VXNXHJTFSA-N 516.594 4.524 0 40 KJAB CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCc1ccccc1Cl 13576830 JFTTWWYIRXDOQS-KRCALCKTSA-N 500.064 4.536 0 40 KJAB CCOc1ccc(N(CC(=O)N[C@H](C)c2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 15227405 PXZMQFAHIIZHTP-GOSISDBHSA-N 517.445 4.921 0 40 KJAB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccccc4)c(OCC)c2)N3)C1 15945229 PCTVDLBHUGUODW-QHCPKHFHSA-N 521.595 4.735 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 20007386 UTJUZVUNWXEIOH-AREMUKBSSA-N 514.647 4.799 0 40 KJAB COC(=O)c1cc2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc5ccccc5c4)C3)ccc2s1 20017005 ZUUCDEKGMLEGDG-LJQANCHMSA-N 508.621 4.881 0 40 KJAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CN(c3ccc(F)c(F)c3)S(C)(=O)=O)c2)cc1 20451854 BTNCVPLQAFVOHW-UHFFFAOYSA-N 500.567 4.898 0 40 KJAB CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1C(=O)N1CCCC1 26115008 IAEUJKLCNWDNLC-UHFFFAOYSA-N 501.674 4.508 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 34881704 XIXUNUPQDFQIKG-CQSZACIVSA-N 522.458 4.764 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(C)cc(Cl)cc43)[C@@]23C(=O)Nc2ccccc23)c(OC)c1 70706045 RGOIEQIXJJUYKS-KDLQGFRMSA-N 558.034 4.680 0 40 KJAB biogenic Cc1cc(Br)cc(C)c1OCC(=O)Nc1nonc1NC(=O)COc1c(C)cc(Br)cc1C 97940333 DBIJLTTWLWVZOA-UHFFFAOYSA-N 582.249 4.863 0 40 KJAB CCOC(=O)C1=C(CSc2nc3cc(OCC)ccc3[nH]2)NC(=O)N[C@@H]1c1cc(OCC)ccc1OCC 98007032 HTBFFPJTYLMVGS-XMMPIXPASA-N 540.642 4.722 0 40 KJAB CCOc1ccccc1[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)Cn1nnc2ccccc21 100365491 QPGKTWPKZOEQEL-SSEXGKCCSA-N 541.652 4.668 0 40 KJAB C[C@@H](NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)c1ccc(Cl)cc1Cl 103079980 BUPPOMAGPKUDRH-GOSISDBHSA-N 594.492 4.678 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Br)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 103904064 SIJJKAYYDDMWER-GANRHZMWSA-N 598.338 4.638 0 40 KJAB CCN1CCN(c2ccc(NC(=S)NC(=O)c3cc4ccccc4c(Br)c3OC)cc2)CC1 105318851 KSYHCGZDUHMXEB-UHFFFAOYSA-N 527.488 4.880 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 216291907 DLJGATGJORYHKC-UHFFFAOYSA-N 520.651 4.797 0 40 KJAB C[C@H](NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 222662498 DNIJLLVTXKFJND-INIZCTEOSA-N 521.422 4.837 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 222917056 OTLZCTSZMAOXMZ-OAHLLOKOSA-N 548.920 4.745 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 223284946 CEOUGQHSQQKQIW-VWLOTQADSA-N 515.720 4.607 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 223431001 YWECQMFAIIEWOT-MHZLTWQESA-N 587.689 4.891 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 223747153 JTYDZZIOZVNUBX-NRFANRHFSA-N 542.101 4.651 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223822066 ICYZVBDIOPDHNX-FQEVSTJZSA-N 606.116 4.635 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O 223930791 FAGDQSBLAREEHK-KRWDZBQOSA-N 530.452 4.846 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2nnc(-c3ccc(OC)cc3)s2)S(=O)(=O)c2ccc(C)cc2)cc1 224071542 UPCQZQVTSYLPBX-UHFFFAOYSA-N 538.651 4.755 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)c1 224079207 PUBNVUYRWNDUSC-VWLOTQADSA-N 535.710 4.688 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c2ccc(Cl)cc2)cc1 224090832 XZBSAQKSVPQOAO-QFIPXVFZSA-N 572.127 4.733 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 224102597 DHRVXWMXKMKEBR-NDEPHWFRSA-N 535.710 4.751 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224194916 OQNULNSMNHEOMR-NDEPHWFRSA-N 628.191 4.824 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(OC)cc(OC)c1 224275341 DWUOQCJEAUOLMQ-HHHXNRCGSA-N 525.045 4.902 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 224365115 LOXKVAOPJGJNAJ-INIZCTEOSA-N 593.371 4.711 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)c1ccc2c(c1)OCCO2 224479398 IARVWFFQPQORSZ-MHZLTWQESA-N 672.642 4.931 0 40 KJAB COc1ccccc1N(CCCC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 224785071 UYILWPHKWGVEHC-NRFANRHFSA-N 564.148 4.761 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 224796347 SDDWCISQBJRSRP-QFIPXVFZSA-N 564.482 4.617 0 40 KJAB CCc1cccc(CC)c1N(Cc1ccc(C(=O)NCCOc2ccc(OC)cc2)cc1)S(C)(=O)=O 224829902 CWAIIGSMRZJKTQ-UHFFFAOYSA-N 510.656 4.595 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 225154694 GRAQFMIWJWZGFH-FCHUYYIVSA-N 536.138 4.835 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 225392241 UZLODNBTWMMTTG-MUUNZHRXSA-N 565.736 4.841 0 40 KJAB CC(C)Sc1nnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)s1 225519413 GBLMSWPUPHEFQH-GFCCVEGCSA-N 509.506 4.526 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 225551971 CJUZHAZQCOTVSG-HOFKKMOUSA-N 529.747 4.826 0 40 KJAB C[C@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 225638224 NNJIIQMOVDVVSP-LLVKDONJSA-N 504.943 4.671 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 225707998 BOKFWTAKJGSNMM-IBGZPJMESA-N 586.980 4.838 0 40 KJAB Cc1cc(C)nc(Nc2cccc(C(=O)N3C[C@@H](C(=O)NCCc4ccccc4)Oc4ccccc43)c2)n1 225914683 GTPREJWYAUVATA-MHZLTWQESA-N 507.594 4.604 0 40 KJAB CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1Cl)S(C)(=O)=O 260725540 XXWPUFZSGCXAGB-RUZDIDTESA-N 596.964 4.795 0 40 KJAB Cc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 260821530 YGYGNFYYOMQLEK-GOSISDBHSA-N 540.513 4.544 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 260852428 FKPMQBMALCKBSD-HHHXNRCGSA-N 586.154 4.588 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](CC)C(=O)NC)S(=O)(=O)c2ccc(Br)cc2)cc1 260856051 JEWDRYGBNRJYBT-AREMUKBSSA-N 602.551 4.597 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 260902321 VILXAZDCHNEOIW-GDLZYMKVSA-N 567.727 4.845 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 261033036 XOAIWVIQJCNZSJ-RPWUZVMVSA-N 553.700 4.970 0 40 KJAB Cc1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 261041603 KPSFXWHDHIHKIB-HHHXNRCGSA-N 570.155 4.824 0 40 KJAB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2cc(Br)cc(OC)c2O)C(=O)O)n[nH]1 408633533 ZNLUMDPRXQWAIN-UUASQNMZSA-N 512.769 4.828 0 40 KJAB COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)c1 408639065 FAHGRAUEHHJGIW-ZMYBRWDISA-N 503.382 4.663 0 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CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(Br)cc1O 409168205 LHAIIDLANRXPPN-OCKHKDLRSA-N 505.390 4.845 0 40 KJAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(I)c1OCc1ccccc1F 409210353 JTKRIANVLABGTA-SRZZPIQSSA-N 619.362 4.688 0 40 KJAB COc1cc(C(=S)N2CCCC2)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1 409261768 DIELOUFQBLLCAB-UHFFFAOYSA-N 524.424 4.705 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nccc(C)n4)o3)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br 409275885 MNHWESLRBSAVGZ-KGONEIDKSA-N 671.595 4.811 0 40 KJAB COC(=O)C[C@@H](c1ccc(F)cc1Cl)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O 524731307 SBJDCNGNCZPSNJ-QLXKLKPCSA-N 515.921 4.817 0 40 KJAB biogenic CC(=O)N1CCCN(CC(C)C)CCN(C(=O)CN2CCC(c3ccccc3)CC2)Cc2ccccc21 643566648 VIGDSEUUIXEDAR-UHFFFAOYSA-N 504.719 4.609 0 40 KJAB O=Cc1cc(C(=C(c2ccc(O)c(C=O)c2)c2ccc(O)c(C=O)c2)c2ccc(O)c(C=O)c2)ccc1O 1857791306 GUHLLWSXHXBUGB-UHFFFAOYSA-N 508.482 4.766 0 40 KJAB COc1ccc([C@H](C(=O)Nc2ccc3c(c2)OCO3)N(Cc2ccccc2C)C(=O)Cn2nnc3ccccc32)cc1OC 1418916 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O=C(Nc1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 9304341 PRZFJEDAOXQINJ-WZYRSQIMSA-N 505.361 4.511 0 40 KJAB COC(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2cccc(C(F)(F)F)c2)cc1 11758347 BAYZWMGTTFOFLQ-UHFFFAOYSA-N 529.544 4.733 0 40 KJAB COCCOc1cc(-n2nc(C(=O)Nc3ccc(Br)cc3)nc2C)c(Cl)cc1Cl 12338638 WZAOPDNDJKNOTI-UHFFFAOYSA-N 500.180 4.923 0 40 KJAB CCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc(OC)c3)N2C1=O 12883198 YXLWWSLYYFCUMN-BDYUSTAISA-N 508.578 4.799 0 40 KJAB biogenic CCOC(=O)c1cc(NC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)ccc1Cl 20038817 DPXOLDKVZBTQAK-UHFFFAOYSA-N 504.967 4.874 0 40 KJAB COc1ccc([C@H](C)NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1OC 22429387 UYFDYDIUHOOFRN-SFHVURJKSA-N 503.020 4.738 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)Cc2ccccc2)cc1OC 22535662 GQJORGBBGMEACC-JOCHJYFZSA-N 510.656 4.697 0 40 KJAB O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(C[C@H](O)COc2ccc(C3CCCCC3)cc2)CC1 22790391 KUZQVWKNXJKBNL-MHZLTWQESA-N 541.692 4.541 0 40 KJAB CCOc1ccc(-n2c(SCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)nnc2-c2ccccc2Cl)cc1 23053421 HWUIPMYYZGCUOD-UHFFFAOYSA-N 521.002 4.887 0 40 KJAB CCOc1ccc([C@@H](CNC(=O)C[C@H](NC(N)=O)c2ccccc2C)c2c[nH]c3ccccc23)cc1OC 32796185 LKVHKDWSGIPRCW-BVAGGSTKSA-N 514.626 4.931 0 40 KJAB CC[C@H](c1nnnn1C[C@H]1CCCO1)N(Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 33937066 DNWQLFGALYAEMW-ILBGXUMGSA-N 504.610 4.603 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c2ccccc2)cc1 59652341 GNCXMOPDYLXZII-UHFFFAOYSA-N 543.645 4.502 0 40 KJAB C[C@@H](C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 59852707 KWYURIDPOLZZSR-IBGZPJMESA-N 536.650 4.780 0 40 KJAB CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(OC)c(Br)c3)[C@@H]2C1=O 97954890 DEFWJFLZTDZMDE-HJOGWXRNSA-N 523.383 4.908 0 40 KJAB O=C(C[S@@](=O)CC(=O)N(c1ccc2c(c1)OCO2)[C@H](C(=O)NC1CCCCC1)c1cccs1)Nc1ccc(F)cc1 100285584 ASRRPWDFVKODKQ-VELXTTODSA-N 599.706 4.527 0 40 KJAB 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O=C(COc1ccc(Cl)cc1Cl)NC(=S)Nc1c(I)cc(I)cc1C(=O)O 150341925 SZPDTDDCJQMONF-UHFFFAOYSA-N 651.047 4.793 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(I)cc(I)c3O)c2=O)=N1 164178150 ZVQIYWYNPDBOCG-YOURIZNBSA-N 760.388 4.511 0 40 KJAB C[C@H](C(=O)NCc1ccc(Cl)cc1Cl)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 222860593 LAKOMEVAXAYVIJ-LJQANCHMSA-N 580.509 4.628 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 223041124 YCXLLWOFFDRHSB-RUZDIDTESA-N 542.101 4.706 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](CC)C(=O)NC)S(=O)(=O)c1ccc(C)cc1 223117841 ZGSNRZBTSRSDTO-VWLOTQADSA-N 572.127 4.796 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 223787301 DLAHQPKVGAYMPS-AREMUKBSSA-N 544.117 4.837 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)cc1 223808552 OGOUCFRXUYWBKA-DEOSSOPVSA-N 563.720 4.675 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 223886077 AKSYOSLXPACDHG-XMMPIXPASA-N 585.598 4.947 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224254389 SASDUHUOCHDEQY-QFIPXVFZSA-N 542.529 4.792 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 224277263 MFMDLMFOWRUQRI-HHHXNRCGSA-N 546.067 4.883 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 224363386 KKKTYMPBBYCOHF-SANMLTNESA-N 569.699 4.672 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 224489321 JKRYVURDBTUHFN-VWLOTQADSA-N 602.540 4.694 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)C)c2ccccc2)cc1 224719565 WEXVODUOGKCRES-QFIPXVFZSA-N 616.578 4.985 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 224863219 FPWRUSPLCATQPO-XMMPIXPASA-N 553.700 4.890 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)[C@@H](C)C(=O)NC2CCCCC2)c1 224943017 NZFPLPVFGWMPRN-QHCPKHFHSA-N 641.762 4.913 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 225099553 DFEGZTHPCOAHKV-HSZRJFAPSA-N 522.111 4.528 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 225138634 GGAWGRIHKCGPGL-VWLOTQADSA-N 534.122 4.671 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 225213911 MZRSBMKEEQSOKK-MRXNPFEDSA-N 593.371 4.856 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 225214722 LHRXQLLHHXUKGV-BJKOFHAPSA-N 553.700 4.970 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 225394284 ALMPDTHRDROBKB-AREMUKBSSA-N 602.153 4.886 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 225584877 BLPVMXGCOOBEKX-WJOKGBTCSA-N 615.752 4.594 0 40 KJAB CC(C)n1c(=O)sc2cc(S(=O)(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)ccc21 225708432 KHKSWHJUNWIFSM-UHFFFAOYSA-N 507.681 4.740 0 40 KJAB COc1ccccc1N(CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 225743905 BAKFRFWBVDSKSJ-LJAQVGFWSA-N 579.763 4.654 0 40 KJAB S=C(NCC1(c2ccccc2)CCOCC1)Nc1nc(N2CCCCCC2)cc(N2CCCCC2)n1 225993213 KXXBKYVNURFAQX-UHFFFAOYSA-N 508.736 4.882 0 40 KJAB CC[C@@H](C(=O)N1CCC[C@](COc2ccc(Cl)cc2)(CC(=O)N2CCN(C)CC2)C1)c1ccccc1 257252810 JWESSJXMTBRIIV-UHSQPCAPSA-N 512.094 4.686 0 40 KJAB CC(=O)c1cccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 260768952 FZTCMIJEJSVUKZ-GOSISDBHSA-N 582.550 4.828 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)[C@H](C)C(=O)NC2CCCCC2)c1 260797867 NZFPLPVFGWMPRN-HSZRJFAPSA-N 641.762 4.913 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccc2c(c1)OCCO2 260952446 WBADTLAHMGCYOP-GDLZYMKVSA-N 640.202 4.966 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 260981639 BECDHVOASCUPKQ-MSOLQXFVSA-N 572.953 4.509 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 260994566 DEPFOAQFBYDDLS-ZBLYBZFDSA-N 618.569 4.909 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 261086717 SGVPZOVJQFORHH-ROUUACIJSA-N 572.953 4.509 0 40 KJAB CCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 408579727 ONSZHDJFMITBLV-UHFFFAOYSA-N 525.392 4.986 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)c2ccc(C)cc2)cc1Br 408630671 WVJCGHRMRCFJST-UHFFFAOYSA-N 623.529 4.925 0 40 KJAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccc(Br)c(Cl)c4)cc3)C(=O)[C@@H]21 408689308 RWKZYJLGFVCQBA-DCZDKMHXSA-N 543.801 4.600 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1 408695172 LVHQTUYPYDKUAV-UHFFFAOYSA-N 550.102 4.943 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 408695496 VQEYYJIBMMSVAF-HNNXBMFYSA-N 574.533 4.895 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 408702784 OLOQSANSPXZDDI-UHFFFAOYSA-N 548.086 4.876 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C\c4c(C)n(C)c5ccccc45)c(=O)n32)cc1OC 408815902 SXLBFORTOUVECR-DDIUQFJASA-N 592.721 5.000 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 408841200 JRIGCHBXMSSJRI-QYIOYSLNSA-N 634.666 4.931 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 408921555 ARXYPHJIYJLMGG-UHFFFAOYSA-N 595.699 4.647 0 40 KJAB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccccc4OC(C)C)c(=O)n32)cc1 408927742 XLBOVXIYCUMLSP-LWUPDDLQSA-N 522.692 4.696 0 40 KJAB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)ccc1OC(C)C 408944979 HCRRUFHIPJFIMD-ZFWDJNJRSA-N 615.546 4.754 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Br)cc4)c(=O)n32)c(OC)c1 408975902 CNELJFPQISZIFG-RISWYLRJSA-N 590.499 4.654 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(Cl)c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409080061 KXLAYECCNBBHEM-QJWUKVPRSA-N 621.937 4.630 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)O)c(Cl)c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409090160 LTLZFVZTBMETDG-JASXYKIFSA-N 700.391 4.738 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)sc2c1CCCC2 409127539 NQYHBACLWDQKAR-UHFFFAOYSA-N 505.445 4.515 0 40 KJAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)cc(I)c3OC)C2=O)cc1 409166815 FWVKCHMDFYHATE-LZYBPNLTSA-N 650.232 4.588 0 40 KJAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OCc3ccc(C)cc3)cc2Br)C1=O 409225840 MANNUTGKONAQKI-WSDLNYQXSA-N 580.435 4.885 0 40 KJAB CCCN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccc(I)cc2)C1=O 409237343 TVQSYEPAIUNOID-GZTJUZNOSA-N 541.183 4.935 0 40 KJAB COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409241224 JOJCMXUNUSUIIK-WSDLNYQXSA-N 615.399 4.858 0 40 KJAB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 409261595 DYMDOBPHNNYKQX-UHFFFAOYSA-N 519.711 4.630 0 40 KJAB CC(=O)N1CCCCCCCN(Cc2cccnc2)Cc2cc(C(=O)NCCc3nccs3)ccc21 643570942 NINOLCAQAKVUPD-UHFFFAOYSA-N 505.688 4.830 0 40 KJAB COc1cc([C@@H](CC(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC 1547138660 DTLBEZQZDUYUGL-WNCULLNHSA-N 743.810 4.947 0 40 KJAB biogenic O=C(c1ccccc1)N1CCN(C(=O)c2cc3nc(-c4ccc(Br)cc4)cc(C(F)(F)F)n3n2)CC1 689351 JMKAVCRGYSRJOJ-UHFFFAOYSA-N 558.358 4.776 0 40 KJAB CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 905896 JRTIJVYAEMPDHX-LJAQVGFWSA-N 509.610 4.857 0 40 KJAB O=C(NC1CC1)[C@H](c1cccs1)N(C(=O)Cn1nnc(-c2cccs2)n1)c1cccc(C(F)(F)F)c1 1337581 DNOYANRVWAGIDB-FQEVSTJZSA-N 532.573 4.535 0 40 KJAB COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 1372420 VHWJONCEFXVASN-PMERELPUSA-N 537.595 4.666 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1ccccc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 1374924 ULFIBSCAYPVGDL-SANMLTNESA-N 524.625 4.734 0 40 KJAB COc1ccc(CN(C(=O)CN2C(=O)C(=O)c3ccccc32)[C@H](C(=O)Nc2ccc(N(C)C)cc2)c2cccs2)cc1 3773521 FDDHXQSCTOSHHR-LJAQVGFWSA-N 582.682 4.761 0 40 KJAB CCOc1ccc(N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 8430067 YPVSULADUDOBRC-UHFFFAOYSA-N 548.492 4.936 0 40 KJAB C[C@@H]1CN(c2ccc(Oc3ccccc3)cc2)c2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n2C1 9291745 WHNBFXKMAKWTRP-LJQANCHMSA-N 511.557 4.664 0 40 KJAB CCOC(=O)[C@@H](C)Sc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1Cl 9390884 PRAFGXKMWDOZBN-SIGOSDGXSA-N 503.068 4.797 0 40 KJAB COc1cc2ncc(S(=O)(=O)c3ccccc3)c(N3CCN(c4ccccc4F)CC3)c2cc1OC 9969116 FVOXLNWKYCBFGH-UHFFFAOYSA-N 507.587 4.551 0 40 KJAB COc1ccc(NC(=O)CSc2[nH]c(-c3ccccc3)nc2S(=O)(=O)c2ccc(C)cc2)c(OC)c1 12252404 CFDPYGOPTRDYDW-UHFFFAOYSA-N 523.636 4.966 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 12532075 XLUWVWZBRLSEOX-UHFFFAOYSA-N 522.623 4.508 0 40 KJAB CSc1nc(N(C[C@@H](C)O)C[C@@H](C)O)c2sc3nc(CC(C)C)c4c(c3c2n1)CC(C)(C)OC4 13805230 ZFHAEJSHNVZVMB-HUUCEWRRSA-N 504.722 4.579 0 40 KJAB CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2ccc(F)cc2)c1 15321233 QNOMTTXIASSGFC-DEOSSOPVSA-N 503.530 4.677 0 40 KJAB O=C([C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19720156 PFTVZGKFMRANIF-SSEXGKCCSA-N 529.640 4.828 0 40 KJAB CCN(CC(=O)Nc1ccc2sc(C(=O)OC)cc2c1)S(=O)(=O)c1cc(Cl)ccc1Cl 20014729 DMUDAJCIQRHIBZ-UHFFFAOYSA-N 501.413 4.644 0 40 KJAB COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccccc4C)cc3)ccc2s1 20020090 UDASCXIYMRRINR-UHFFFAOYSA-N 510.593 4.815 0 40 KJAB Cc1ccc(-c2nnc(Nc3ccc(C(=O)N4CCCCC4)cc3)c3ccccc23)cc1S(=O)(=O)N1CCN(C)CC1 33353716 OYXKPSQIXHTXLQ-UHFFFAOYSA-N 584.746 4.911 0 40 KJAB C[C@H](Sc1ncccc1C(=O)O[C@H](C)C(=O)N[C@H]1CCC[C@H](C)[C@H]1C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 36245337 VYFYCASABKWRPC-CXHRZIGFSA-N 517.736 4.989 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C 39986221 RFZJJALNBULWIG-UHFFFAOYSA-N 515.031 4.927 0 40 KJAB CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)S(C)(=O)=O)cc1 59885810 CNEJWQZPEPISDV-MRXNPFEDSA-N 586.519 4.986 0 40 KJAB Cc1c(CC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NCCC(=O)O)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 97957078 GTZQMXKQCNUKKQ-DEOSSOPVSA-N 581.065 4.968 0 40 KJAB COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)CNC(=O)c2cccs2)c2cc(C)ccc2C)cc1OC 100414560 QCFVPEILOYFVRJ-AREMUKBSSA-N 537.682 4.801 0 40 KJAB COc1ccc2c(COC(=O)c3cccnc3SCC(=O)Nc3ccccc3OC(F)F)cc(=O)oc2c1 103135300 JRCMECVTZRMJEP-UHFFFAOYSA-N 542.516 4.886 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N32)cc1Br 103542685 IJVNYPCZZSFRME-HDLKCZAISA-N 571.427 4.933 0 40 KJAB COc1ccc(C(=O)NC(=S)Nc2cc(C)c(I)c(C)c2)cc1Br 105303452 AMRWPTGIPSWXPB-UHFFFAOYSA-N 519.202 4.806 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(SC)cc1 105499070 XCMRNISNXYQFLK-JZVSFUAJSA-N 579.925 4.642 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OC)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 108327009 CFWSYHPWRJUEQC-HRIDGTDGSA-N 572.683 4.756 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3C)cc2)c1 113619487 BSMGILRIJIRHHL-UHFFFAOYSA-N 581.672 4.866 0 40 KJAB COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)cc1 139985244 DNKTVEWSWDJMEM-XMMPIXPASA-N 537.520 4.903 0 40 KJAB Cc1ccc(C(=O)OC[C@@H]2O[C@@H](n3cnc4c(S)nc(N)nc43)[C@@H](OC(=O)c3ccc(C)cc3)[C@@H]2OC(=O)c2ccc(C)cc2)cc1 150367549 SOUITANOVOYJTH-IXMKEJRMSA-N 653.717 4.828 0 40 KJAB CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc(I)cc1OC 163664072 VXEMWSLANLRFCV-RSCAPRFBSA-N 750.917 4.549 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3O)c(=O)n2[C@H]1c1ccc(OC)cc1 164530019 PQHOXUSLATWPOX-GLSAMTQTSA-N 764.379 4.859 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c2ccc(Br)cc2)cc1 215984771 SEJKSEFGNLLJAN-UHFFFAOYSA-N 615.531 4.787 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222748223 SZNHDSUSGLTSCE-QHCPKHFHSA-N 600.565 4.643 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 223110581 KJDKFZRPVCBOEB-LADGPHEKSA-N 553.700 4.970 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 223217726 NDHLREJRUQTICK-NDEPHWFRSA-N 570.155 4.971 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(Br)cc1 223236895 FWDAEDQAMALLJH-JKSUJKDBSA-N 526.269 4.922 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223459347 KNWKBAAYTHQBOF-HKBQPEDESA-N 603.716 4.806 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 223516058 CMKKNAUXJFAMOA-JOCHJYFZSA-N 542.101 4.706 0 40 KJAB COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](C(=O)NCc2ccncc2)c2ccccc2)cc1 223535594 MJSMOXKTBDALOA-XIFFEERXSA-N 612.752 4.550 0 40 KJAB 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CC(C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 224718409 SJUBMOQERCFVGM-HNNXBMFYSA-N 612.896 4.829 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)[C@@H](C)C(=O)NC2CCCCC2)c1 224718591 IFTXPVCGCZTIDZ-DEOSSOPVSA-N 623.747 4.967 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 225176956 IXCDHRFWBFYMLG-QHCPKHFHSA-N 599.725 4.680 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 225269449 VKGLGMYPBYINIX-VQTJNVASSA-N 571.571 4.555 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 225470518 MCKFYCUXHSMFSS-LJAQVGFWSA-N 567.727 4.765 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 225678423 DXYRBLDLCCXMBO-NRFANRHFSA-N 560.091 4.864 0 40 KJAB CC(C)c1nccn1CCC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N(C)Cc2ccccc2)C1 257315132 VAADNDCYMDRZNE-BDYUSTAISA-N 502.659 4.741 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3c4ccc(Br)cc4C[C@H]3C)C2)cc1Cl 260739895 KQGJCECGXZDMJR-HZPDHXFCSA-N 541.895 4.880 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](CC)C(=O)NC)S(C)(=O)=O)cc1 260864187 YXUCVISDNJDYME-HSZRJFAPSA-N 542.529 4.655 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1C 260887970 KULZXZIFYHCUDJ-LJQANCHMSA-N 542.529 4.566 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 260972981 JPDIFEGHJWFQRA-SSEXGKCCSA-N 607.773 4.559 0 40 KJAB Cc1ccccc1CN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 261014433 HIYXZYOIUVPAQO-HHHXNRCGSA-N 570.155 4.824 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 261030910 JLXAXBCANKHLQN-OUTSHDOLSA-N 567.727 4.763 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 261125892 ZXBRFCRFDOHBFL-VIZCGCQYSA-N 563.764 4.951 0 40 KJAB Cc1ccc(CNC(=O)C(=O)Nn2c(C(=O)Nc3ccc(C)c(C)c3)cc3cc(Br)ccc32)cc1 408577966 RGKOOHMCRSTPLT-UHFFFAOYSA-N 533.426 4.968 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2Cl)cc1 408602020 BSWNDDZUJKDJLM-JXMROGBWSA-N 524.086 4.701 0 40 KJAB COc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 408685509 QXQAHSHRYRUYDT-NPYONTDKSA-N 558.590 4.887 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)c(OC)c1 408711539 VJGHYQSDYHPXKZ-UHFFFAOYSA-N 596.127 4.651 0 40 KJAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 408714538 BAYQCTXJJIZRNS-SANMLTNESA-N 554.068 4.951 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(OC)c3O)c(=O)n2[C@@H]1c1ccc(F)cc1 408786826 WHBHKYWWPSTRIS-WDONWYDGSA-N 609.473 4.551 0 40 KJAB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=c3\sc4nc5ccccc5n4c3=O)cc2Cl)cc1 408888786 ARXQHKLKJHCINC-NDENLUEZSA-N 517.415 4.840 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccccc5F)cc4)c(=O)n32)cc1OCC 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COCCCN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)C1=O 409234285 KFQHNZIVVQFZQN-CPNJWEJPSA-N 535.416 4.548 0 40 KJAB Cn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 409343074 HYXVHVKOFHYLTE-VOTSOKGWSA-N 510.834 4.836 0 40 KJAB CCn1c(SCC(=O)Nc2ccccc2OC)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C 409358945 LRTSQVUOPFQJDL-NRFANRHFSA-N 502.040 4.818 0 40 KJAB Cc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2ccc(Br)cc2)cc1 409384724 FNZCXJQMDPQZNG-FGZHOGPDSA-N 540.366 4.540 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc(OC)c3OCc3ccc(F)cc3)C2=O)o1 409399780 MGCOJKITWOLKTF-VXLYETTFSA-N 559.344 4.648 0 40 KJAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC2(CCCCOCCNC(=O)c3ccccc3OC2)CC1 643563953 NCHNZUOOYODPIL-UHFFFAOYSA-N 519.564 4.641 0 40 KJAB O=C(c1cccc(F)c1)N1CCC2(CCCCc3ccccc3OCCN(C(=O)c3cnccn3)C2)CC1 643574336 QBSRIEONYBXVON-UHFFFAOYSA-N 516.617 4.786 0 40 KJAB COc1ccc(CC(=O)N2CCCN(C(C)C)CCN(C(=O)CCc3cn(C)nc3C)Cc3cccc(C)c32)cc1 2037912801 JLAITFCLIAQKJP-UHFFFAOYSA-N 559.755 4.697 0 40 KJAB O=S(=O)(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)c2ccc(Br)cc2)c1 855894 CORASVJVXZRNTK-UHFFFAOYSA-N 531.247 4.845 0 40 KJAB O=C(NCc1ccccc1)[C@@H](c1ccc(F)cc1)N(C(=O)Cn1nnc(-c2cccs2)n1)C1CCCCC1 887561 ACZBHXDOHQSVTP-AREMUKBSSA-N 532.645 4.760 0 40 KJAB Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)S(=O)(=O)c3cccc4nsnc34)cc2c1 924953 QMFJWOLENSTOCN-UHFFFAOYSA-N 504.637 4.583 0 40 KJAB COc1ccc(NC(=O)[C@H](C)Sc2nc(S[C@H](C)C(=O)Nc3ccc(OC)cc3)ns2)cc1 2259087 WTZUKUBCFKAWBK-KGLIPLIRSA-N 504.659 4.794 0 40 KJAB Cc1ccc(-c2nnc(SCC(=O)Nc3c(Br)cc(C)cc3Br)n2N)cc1 2377007 JQWXSRTXRREDHY-UHFFFAOYSA-N 511.243 4.532 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OCC)cc4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 2997124 LBCQVFZACUECNJ-MKWGYRPRSA-N 577.058 4.888 0 40 KJAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 3360824 ZXKRJSBRLOZTJS-KRWDZBQOSA-N 512.484 4.858 0 40 KJAB CCOc1ccc(NC(=S)N(CCCN(CC)CC)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1 6078175 PILKZXFGMAHZTB-UHFFFAOYSA-N 526.703 4.875 0 40 KJAB Cc1cccc(CCN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)S(=O)(=O)c2cccc3nsnc23)c1 6442648 OFZDEQUNERSHDW-UHFFFAOYSA-N 518.664 4.892 0 40 KJAB COc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(F)c(C)c4)cs3)cc2)nc(OC)n1 9601667 VJKLOGKIZJAPEH-UHFFFAOYSA-N 501.565 4.609 0 40 KJAB Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c(C)c1 12702443 ANTFXFHASUPFQR-JOCHJYFZSA-N 526.062 4.541 0 40 KJAB CN(CCc1ccccc1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CN(Cc1cccc(Cl)c1)Cc1cccc(Cl)c1 20464710 PPGLGXXZGBCTPT-GIFPIDKJSA-N 529.508 4.659 0 40 KJAB biogenic,in-vitro CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 26687956 BTPZPOBYWJHIFE-VWLOTQADSA-N 502.596 4.761 0 40 KJAB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)cc2)CC1 57316878 INDCLCCZWSKFPR-UHFFFAOYSA-N 502.453 4.940 0 40 KJAB Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N(Cc3ccco3)C[C@@H]3CCCO3)c(=O)[nH]c2c1 57608309 YYIXBTDAINAXLI-JYFHCDHNSA-N 502.619 4.692 0 40 KJAB COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1)S(=O)(=O)c1ccccc1 59883819 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CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 224432074 VSVLEFHIPXXHLD-XMMPIXPASA-N 550.508 4.711 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224476828 ZHEFBMLGSWOZPY-AREMUKBSSA-N 658.615 4.541 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224607474 WWIRLUSZTRXYBB-QHCPKHFHSA-N 542.529 4.647 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)[C@@H](C)C(=O)NC1CCCCC1 224694329 RNYDQXVNRJTUQV-QFIPXVFZSA-N 531.694 4.547 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)cc1 224742283 RVOZNBWYXROEAI-NRFANRHFSA-N 534.122 4.589 0 40 KJAB CC(C)c1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 224827993 WBUGGYXGIYBJIC-NRFANRHFSA-N 531.694 4.581 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 224856941 VHYWDTGVKVHCMZ-JOCHJYFZSA-N 562.947 4.992 0 40 KJAB 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CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 225294697 FIZFWGSQWLBKOK-RTBURBONSA-N 542.529 4.708 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 225570530 PFAYKIXFHYBCQE-QDPGVEIFSA-N 611.736 4.823 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 225690867 GSZKAUVZXLMORD-JTSKRJEESA-N 568.523 4.640 0 40 KJAB Fc1ccc(C2(CNC(=S)Nc3nc(N4CCCC4)cc(N4CCN(c5ccccc5)CC4)n3)CCOCC2)cc1 226000327 SFMLIWJYAFYDHX-UHFFFAOYSA-N 575.758 4.577 0 40 KJAB COc1ccc(CN(C)C(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 226029914 RNXVFWTWXOZGBK-UHFFFAOYSA-N 507.439 4.852 0 40 KJAB CCCOc1ccc(-c2nc3sc(=Cc4ccc(-c5ccc(C(=O)OCC)cc5)o4)c(=O)n3n2)cc1 254868828 DYTQGKYVTWGOQW-UHFFFAOYSA-N 501.564 4.591 0 40 KJAB O=C(CC1(COc2cccc(Cl)c2)CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)N1CCOCC1 257232801 GMLZJECPBPVAHQ-UHFFFAOYSA-N 524.967 4.909 0 40 KJAB Cc1cc(OCC2(CC(=O)N3CCN(C)CC3)CCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1Cl 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595.737 4.689 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 261047118 ZMLZPMJUONNBGL-HSZRJFAPSA-N 581.735 4.540 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 261077133 QPYWCHAJBJMKRI-IRPSRAIASA-N 549.737 4.624 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 261116526 YOMJINLTYQVBTH-UXHICEINSA-N 574.541 4.555 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)c2cc(Cl)ccc2OC)cc1OC 408613422 WZOMTUCFTLHNAG-UHFFFAOYSA-N 602.109 4.826 0 40 KJAB CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 408619206 NCGJWRXWICSTIO-UHFFFAOYSA-N 591.471 4.607 0 40 KJAB Cc1c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)ccc(Br)c1Cl 408686459 NDVOREFLFQGUPF-VUEDXXQZSA-N 543.801 4.518 0 40 KJAB Cc1c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)ccc(Br)c1Cl 408686470 NFFDSVOMDWLYQB-IAGOWNOFSA-N 531.790 4.662 0 40 KJAB 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KJAB CC(=O)Nc1ccc(N(C(=O)[C@H]2COc3ccccc3O2)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1 930914 MKWJZUWTQKYQSD-WDYNHAJCSA-N 543.620 4.714 0 40 KJAB O=C1C[C@H](N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(I)cc1 1248204 IFBGLGWKKHMAKD-AZGAKELHSA-N 585.873 4.984 0 40 KJAB COc1cc2cc(CN(Cc3ccco3)[C@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)c(=O)[nH]c2cc1OC 1334535 CNLAWTBSIGRJRM-MHZLTWQESA-N 546.603 4.712 0 40 KJAB O=S(=O)(Nc1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1)c1ccc(Br)s1 3209686 RHCOSRRAJRDEPB-UHFFFAOYSA-N 544.500 4.577 0 40 KJAB COc1ccc(NS(=O)(=O)c2cc(C(=O)O[C@@H](C)c3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C)C5)ccc2F)cc1 6144267 ZXFNBCXGGTWUHP-GJZGRUSLSA-N 571.652 4.976 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(SC)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 6227286 PXVLAAWHEHUHOH-CINCIDGWSA-N 530.671 4.682 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(OC)c(OC)c2)cc1 6973485 GYWOOWRCCYJLAD-HKBQPEDESA-N 571.678 4.676 0 40 KJAB CCOCCCNC(=O)[C@H](c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(NC(C)=O)cc1 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Cc1cccc(N(CC(=O)NCc2ccccc2-n2ccnc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 30850403 XYKJIXUYVKTQLP-UHFFFAOYSA-N 509.031 4.654 0 40 KJAB CCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3ccc(C)cc3)nc3ccccc3c2=O)cc1 33058557 YGUFFVGOHZDJTF-UHFFFAOYSA-N 500.624 4.624 0 40 KJAB COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c(OC)c1 33914102 PMFNNFMCELNYRP-RJDVAZLZSA-N 511.615 4.638 0 40 KJAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3sc(C(=O)OC)cc3c2)CC1 59836785 CHFQJTWDQDIPFB-UHFFFAOYSA-N 537.059 4.779 0 40 KJAB CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)O)[C@H](O)c5cccc([N+](=O)[O-])c5)CC[C@]4(C)[C@@H]3CC[C@]12C 70699880 XILLHXCTVDJURI-QADFNXHISA-N 595.693 4.738 0 40 KJAB COc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)C2=O)cc1OC 97980319 AFMJHQDUMZWBDA-RBFBNPFJSA-N 525.410 4.631 0 40 KJAB COc1ccc(CCN(C(=O)c2cccc(F)c2)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 100906759 HYNOIXUPQZOQEK-HSZRJFAPSA-N 525.374 4.614 0 40 KJAB 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CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 223980789 SPNNFGQDPFOCNB-SKCUWOTOSA-N 586.154 4.669 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 224080118 IYPCBHFAUJJSDP-QFIPXVFZSA-N 586.552 4.834 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224214464 HEBOMEXFVCPKBP-DEOSSOPVSA-N 553.647 4.646 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 224473639 ZZDWXOOHESXODC-QFIPXVFZSA-N 564.482 4.761 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224615177 NVSXWTJFJBANNG-MUUNZHRXSA-N 553.700 4.909 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 224677585 YDTYLFXNEBETEA-QHCPKHFHSA-N 539.673 4.581 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 224679419 OMHUUTIRTGBMHX-NRFANRHFSA-N 602.551 4.595 0 40 KJAB 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COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 260785061 LECBJNPSLHGFPU-XMMPIXPASA-N 563.720 4.675 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c2cccc(Cl)c2)cc1 260813263 VGLFZFZRVJJAOS-JOCHJYFZSA-N 586.154 4.918 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 260841959 BDEOBPDXVFOKLQ-SSEXGKCCSA-N 563.764 4.960 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c2ccc(F)cc2)cc1 260890198 CWBFTULXYSYYAX-FGZHOGPDSA-N 587.689 4.891 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccccc2Br)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 260904875 VWUHZRDDTQCBPV-HHHXNRCGSA-N 600.579 4.688 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)N(C)C)c1 260936162 QJNVGOLJSIAECY-JOCHJYFZSA-N 607.615 4.545 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 260952191 JYEAQBTYJXZOQQ-OFVILXPXSA-N 533.710 4.711 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)cc1 260968897 INOFRDXERCNPCT-JOCHJYFZSA-N 567.683 4.506 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 260993187 DAFAOUCZTJMEBK-AMGIVPHBSA-N 600.579 4.770 0 40 KJAB Cc1cccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)N[C@@H](C)c2ccccc2)c1 408574276 GMAMUHLLBZEZOR-KRWDZBQOSA-N 519.399 4.912 0 40 KJAB COc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2cccc(C)c2C)cc2cc(Br)ccc21 408574373 HMNVGAVULQYVLZ-UHFFFAOYSA-N 535.398 4.990 0 40 KJAB COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1 408576386 GWSLRRXOPDHGTN-GOSISDBHSA-N 542.419 4.689 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)CC1 408590363 GIAWDNIKMJBMSW-XMMPIXPASA-N 576.944 4.649 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)ccc3OC)c(Cl)c2)cc1 408636256 MWWVQHDATQGNEA-UHFFFAOYSA-N 504.992 4.874 0 40 KJAB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408644745 RQKGMCNCTNBOSY-AHWVRZQESA-N 607.084 4.998 0 40 KJAB C[C@H](NC(=O)CCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1ccccc1 408646626 BAUVKDCLHDXGOT-DPLKWWOSSA-N 519.428 4.847 0 40 KJAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3)CC2)c1 408695351 SDDVBBBRAXIIMM-UHFFFAOYSA-N 555.722 4.593 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(OCC)c3)c(=O)n2[C@H]1c1cccc2ccccc12 408874736 FZPFRAHSHMNXMB-OXWVMCNISA-N 542.657 4.749 0 40 KJAB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n21 408943473 FTPUHNJWWKODST-VMOHIOPYSA-N 606.336 4.720 0 40 KJAB Cn1nnnc1SCC(=O)Nc1ccc2nc(SCC(=O)n3c4c(c5ccccc53)CCCC4)sc2c1 408981601 IITYSAOUTHOLOX-UHFFFAOYSA-N 549.707 4.817 0 40 KJAB CC[C@@H](C)Oc1c(I)cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 409019495 ZKIRPDOERGFBII-HVOBPNNYSA-N 524.330 4.709 0 40 KJAB COc1ccc(N(CC(=O)NCCSCc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1OC 409028558 OSGJZVUBZOKVPZ-UHFFFAOYSA-N 553.077 4.741 0 40 KJAB COC(=O)C(=Cc1cc(Br)cc(Br)c1OCc1cccc(F)c1)C(=O)OC 409057007 OILPXEXWLJIVCE-UHFFFAOYSA-N 502.130 4.659 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409094037 BRGYGNYTLHHKTR-ABBNRAPFSA-N 590.101 4.804 0 40 KJAB CCc1ccccc1N(CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)S(=O)(=O)c1ccccc1 409116695 JZVAROYTTUGJOU-UHFFFAOYSA-N 512.653 4.810 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 409124766 BREIEZBPWFJGHW-RGVLZGJSSA-N 553.406 4.687 0 40 KJAB CCCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(-c5ccccc5C(=O)O)o4)c(=O)n32)cc1OC 409165516 YYLNSAIPQYNUIZ-PQRKSKNISA-N 616.692 4.944 0 40 KJAB COc1ccccc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n1 409167144 HOFZAOGUKRYDHX-IBGZPJMESA-N 508.431 4.978 0 40 KJAB COc1ccc(CCNC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1OC 409204668 JHPRLMMDDRRNSP-UHFFFAOYSA-N 581.916 4.670 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(F)cc1 409268967 CBDKCDUUBFQDQT-XKZIYDEJSA-N 668.462 4.882 0 40 KJAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1Br 409275145 ZBKQLIKWPLGFAN-JAIQZWGSSA-N 533.400 4.684 0 40 KJAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(=O)Nc3ccccc3)C2=O)c1 409336572 PTEPYSMGSWAGPW-BUVRLJJBSA-N 515.591 4.996 0 40 KJAB C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc(I)cc2)n1C 409340717 AVHNOJNEKAOWBW-LLVKDONJSA-N 590.274 4.948 0 40 KJAB CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C 409342396 BZSRBPKPPWQIME-DEOSSOPVSA-N 541.121 4.519 0 40 KJAB Cc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)Nc2cccc(C(F)(F)F)c2)c1 409381344 SYCIQVYDSLEXEC-FGZHOGPDSA-N 529.467 4.797 0 40 KJAB COc1ccc(CN2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)cc1OCCn1cc(C)cn1 585271198 LJUVAWIWZLQFCT-HHHXNRCGSA-N 500.039 4.647 0 40 KJAB CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCCc1nc(C(C)C)no1 604404723 RGEKKADMKVMONW-IBZKQJHLSA-N 649.789 4.945 0 40 KJAB biogenic COc1ccc(-c2cc(C(=O)N3CCCCCCCN(C(C)=O)c4cc(CN5CCOCC5)ccc4C3)nn2C)cc1 643559882 OSVANYUBQPCHLT-UHFFFAOYSA-N 573.738 4.887 0 40 KJAB CC(C)N1CCCN(C(=O)c2ccncc2)c2ccc(F)cc2CN(C(=O)CCCS(=O)(=O)c2ccccc2)CC1 643566665 GPWRHDWXEACHKQ-UHFFFAOYSA-N 580.726 4.564 0 40 KJAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)c(OC)c1 1222329 QOAUBPBRFITHCN-UHFFFAOYSA-N 506.584 4.700 0 40 KJAB Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nc(-c4ccc(Br)cc4)cs3)n2C)cc1 2123934 IXCZGYJPSXFFIW-UHFFFAOYSA-N 557.499 4.670 0 40 KJAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)cc1OC 2381801 MQSFOPHDVSZDNL-XYGWBWBKSA-N 521.602 4.544 0 40 KJAB NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)NS2(=O)=O 3240149 AMVZBZLRIWBCRT-MHZLTWQESA-N 586.091 4.548 0 40 KJAB O=c1[nH]c(CSc2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO2)nc2sc3c(c12)CCC3 3317690 UQEDPJPDAKXMEH-HNNXBMFYSA-N 500.049 4.857 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC(c3ccccc3)c3ccccc3)o2)c1 3332341 RDHCIJXNFIOVGS-UHFFFAOYSA-N 536.679 4.765 0 40 KJAB COC(=O)[C@@H](CO)NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1 5119250 URGKCDLCQYUTLA-IHLOFXLRSA-N 598.721 4.657 0 40 KJAB CCCC[C@@H](O)c1ccc2c(c1)OCCOCCOc1cc(CC[C@@H](O)CC)ccc1OCCOCCO2 8892753 QSFGKMSAKLBHFZ-IZZNHLLZSA-N 532.674 4.876 0 40 KJAB Cc1ccccc1C(=O)NCCn1cc(SCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 9394498 WNXLSMUKAUAEFD-UHFFFAOYSA-N 501.608 4.517 0 40 KJAB CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)CC1 12529115 QBJMFGDSEIZSDF-UHFFFAOYSA-N 517.695 4.655 0 40 KJAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(N4CCOCC4)cc3)n2CCc2ccccc2)cc1 12660126 KFIJGALJDKCJSV-UHFFFAOYSA-N 529.666 4.764 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(Cc1ccccc1OC)C(=O)Cn1nnc2ccccc21 13024595 ALHRRWGWRJAEQO-NDEPHWFRSA-N 529.641 4.523 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2ccccc2C)cc1 13029463 XKHXPIWREJQVDI-LJAQVGFWSA-N 511.626 4.577 0 40 KJAB CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 13064867 SSMZNNHNKUQFSU-IGKIAQTJSA-N 500.647 4.506 0 40 KJAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2)CC1 13946211 BYGVFWRPIPOFIH-JQIJEIRASA-N 502.640 4.922 0 40 KJAB COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(=O)c3ccc(Cl)cc3)[C@@H]2C1=O 16037211 BAFBBVDTECOYKN-LIONHTAISA-N 512.949 4.525 0 40 KJAB CCOc1ccc(N2C(=O)[C@H](C)S[C@]23C(=O)N(CN2CCN(c4ccccc4)CC2)c2ccccc23)cc1 19818402 ZYCQCVSNFXTPKG-SMSORMJASA-N 528.678 4.533 0 40 KJAB Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4cc(Cl)ccc4C)CC3)c(=O)[nH]c2cc1C 19973211 SSMXFJHQURXENN-VWLOTQADSA-N 520.081 4.760 0 40 KJAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1C 20009289 AYQGXLPBPKQOAK-OAQYLSRUSA-N 510.509 4.690 0 40 KJAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC2CCCC2)cc1)NCc1ccccc1 33058655 YNCRVODFJGHWRR-UHFFFAOYSA-N 526.662 4.526 0 40 KJAB O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cccc(C(F)(F)F)c3)N2C1=O)NCc1ccco1 33356259 GRXLWKBCTSTUFB-OAQYLSRUSA-N 569.565 4.725 0 40 KJAB CC(=O)[C@@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N12 34386869 AUYJNRMFCZKGOK-QNCJLPSESA-N 506.558 4.676 0 40 KJAB biogenic Cc1cccc2c1NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 70700976 BTTZRLPNQOHRLG-BYSIJJKSSA-N 542.433 4.772 0 40 KJAB biogenic COc1ccc([C@H](CC(=O)NC2CC2)NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)cc1OC 70708516 CCMUNTNBJDETOZ-QHCPKHFHSA-N 532.593 4.632 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 97946237 ZPVLJBWWELGWKC-JESJEVRBSA-N 648.741 4.893 0 40 KJAB CCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OCC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1 97946297 SASPQYNUOAEXAZ-YVBHXKDBSA-N 592.714 4.547 0 40 KJAB COc1ccc([C@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)c(OC)c1 100363143 JHIVBKMBETUDCX-WJOKGBTCSA-N 549.631 4.535 0 40 KJAB COc1cccc([C@H](C(=O)NCCC(C)C)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)c1OC 100367129 XOOSHNCFNVDOEZ-MUUNZHRXSA-N 547.631 4.520 0 40 KJAB COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(Cl)cc4)CC(=O)N32)cc(OC)c1OC 102575837 JXIPAZKVTPCLBD-NEKDWFFYSA-N 546.023 4.732 0 40 KJAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)ccc21 102987469 KGHRPJBEZNFCFW-KRWDZBQOSA-N 531.103 4.863 0 40 KJAB CCOC(=O)c1c(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)sc(Cc2ccc3c(c2)OCO3)c1C 103007491 GPGCPQSQVXQIFP-UHFFFAOYSA-N 556.084 4.967 0 40 KJAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)S(C)(=O)=O)cc1 106444306 DZJDPFJHWPLOMQ-HXUWFJFHSA-N 537.663 4.742 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCc3ccccn3)c(=O)cc1[C@@H](NC(C)=O)CC2 108449010 WPJSBJILPSRSQP-MHZLTWQESA-N 602.732 4.589 0 40 KJAB biogenic COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCCc3nc4ccccc4[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 108450491 SLTGOFLMKNWJPG-VWLOTQADSA-N 627.742 4.680 0 40 KJAB biogenic CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1 111465467 ZFMFJBUNJIDRJF-ZEKHAJRLSA-N 605.510 4.715 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OC)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163681240 PLVHRYPVENRUCM-JZVSFUAJSA-N 626.754 4.985 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(I)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 164838696 HZWZIDCALCJROK-CQXYXCHQSA-N 738.192 4.538 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)N1CCc2cc(Br)ccc21 222700447 CRDKZPTUTSIJKO-UHFFFAOYSA-N 521.820 4.871 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCO2 222748475 YRQIGXWZJTZOAD-SANMLTNESA-N 504.602 4.899 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 222869493 ZJLIJJJUZYKSMU-NDEPHWFRSA-N 571.699 4.523 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 222950757 HHUFDUAYEGAECD-OAQYLSRUSA-N 560.091 4.845 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c(C)c1 222957183 LZOLZMQOKBNETO-SFHVURJKSA-N 542.529 4.708 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 223065889 ZOVRASPESQUHPS-XMMPIXPASA-N 551.709 4.533 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 223354083 DZNSEXRXFILZQE-VWLOTQADSA-N 596.508 4.890 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223479335 HXILCBAIFDCGHG-YTTGMZPUSA-N 617.743 4.947 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 223658114 IUOPGZQQRFIVOD-HSZRJFAPSA-N 553.750 4.774 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 223850066 QIVLELGHPRWYCS-HXUWFJFHSA-N 576.090 4.627 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1cc(OC)cc(OC)c1 224054674 FOAIJJRPBYQAIQ-NDEPHWFRSA-N 504.627 4.557 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)NCCOc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 224061861 SABOYVNCWNGWPH-UHFFFAOYSA-N 517.047 4.664 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 224068366 RJEJYFYJGYKIEG-RUZDIDTESA-N 536.138 4.652 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224310003 XFKYHFBFTCQTNI-LJQANCHMSA-N 559.626 4.580 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 224499587 KCHRNHOQIJLATG-QHCPKHFHSA-N 647.579 4.719 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 224750363 FHSMQIMKQNDHLY-RUZDIDTESA-N 565.736 4.841 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 224985035 HRVUFDCUWFNFHT-DEOSSOPVSA-N 565.736 4.705 0 40 KJAB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225027294 HXOKXMJTECIVEB-IARZGTGTSA-N 606.561 4.789 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 225140627 LFYVTVYMWQTPQZ-LJAQVGFWSA-N 565.736 4.841 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 225148173 OUOFBTNXJBITIL-JKSUJKDBSA-N 548.920 4.745 0 40 KJAB O=C(Nc1nnc(-c2ccccc2)s1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 225197967 QUGKTQIVFPWHDP-OAHLLOKOSA-N 511.456 4.692 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225216119 ZHPCCXFFCRUIKS-MRXNPFEDSA-N 593.371 4.856 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 225292951 MZMISRQQFLKTQC-JOCHJYFZSA-N 542.529 4.710 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 225593756 BKLCNPPWKYSQSQ-NDEPHWFRSA-N 570.155 4.889 0 40 KJAB S=C(NCc1ccc2c(c1)OCCO2)Nc1nc(N2CCN(c3ccccc3)CC2)cc(N2Cc3ccccc3C2)n1 226015320 LKJJKKXIGWPZIP-UHFFFAOYSA-N 579.730 4.581 0 40 KJAB COc1cc(CN(C)C(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC 226024770 SWSCUTKFYONIPY-UHFFFAOYSA-N 611.942 4.978 0 40 KJAB COc1cc(C=c2sc3nc(-c4ccccc4Br)nn3c2=O)ccc1OCCC(C)C 254387639 YPBHPEIUKLFPCP-UHFFFAOYSA-N 500.418 4.562 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1Cl 260785174 LODUWIZLIOAPAX-GOSISDBHSA-N 540.513 4.544 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1Cl 260881609 OFHCGIMBURABQJ-HHHXNRCGSA-N 574.118 4.718 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)Oc3ccc(C)cc32)cc1 260912221 AOXKUYLPTVQTED-PIIWDFAUSA-N 520.651 4.716 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1 260948033 QZZFWOYDJAWWEX-HSZRJFAPSA-N 569.699 4.609 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 260987225 PGGLYLJULDNHQW-HXOBKFHXSA-N 592.080 4.856 0 40 KJAB O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)Nc1ccc(Br)c(Cl)c1 408541844 FECXAOXZBCFFHI-UHFFFAOYSA-N 557.301 4.900 0 40 KJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 408617412 CVUNXSUSIAQILU-UHFFFAOYSA-N 506.839 4.580 0 40 KJAB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)CC1=O 408643148 FPTWFXMAODGZKU-XMMPIXPASA-N 549.645 4.667 0 40 KJAB COc1ccc(C(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408664545 SUBIIYOOJGMJMY-FKCBEFSWSA-N 578.448 4.791 0 40 KJAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 408665540 FRTMLFSDZJKGGY-UHFFFAOYSA-N 514.884 4.826 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c(C)c2)cc1 408675265 UQJCHNAWUMYSIX-UHFFFAOYSA-N 558.100 4.884 0 40 KJAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(=O)OCC(=O)Nc4ccc(Oc5ccccc5)cc4)c3)C(=O)[C@H]12 408690543 VUNAOWMZXJAQNF-SEUOHIEZSA-N 522.557 4.976 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 408712379 SOOQZMVLPRLXAI-GOSISDBHSA-N 566.101 4.559 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408752553 JUCKRGZQHZHRKM-VVOOWDFBSA-N 569.422 4.673 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)ccc4OC(C)=O)c(=O)n32)cc1 408856502 KBXOXMSSIBBTKE-ASZNLBCTSA-N 632.536 4.960 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OC)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408990567 XKPFCTUOJHJMSM-JUTHHCEFSA-N 666.388 4.739 0 40 KJAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 409067837 ZTKGJIRNLBDMOW-UHFFFAOYSA-N 526.102 4.539 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Cl)cc4)c(=O)n32)cc1 409078492 IKNIHLJSXURJKD-OWXSRONMSA-N 516.022 4.536 0 40 KJAB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1 409098169 NUZBLILKOQTVER-SRZZPIQSSA-N 510.905 4.858 0 40 KJAB Cc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3cccc(C(=O)OC(C)C)c3)n2C)C(C)C)cc1 409153413 CWSFJZXUGSSWOZ-HSZRJFAPSA-N 523.659 4.547 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1OC 409242836 WCPMFVKSECMWJD-VCHYOVAHSA-N 630.844 4.570 0 40 KJAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1ccc(Br)c(Cl)c1 409359182 WLOADGCNQFPDAL-UHFFFAOYSA-N 522.856 4.683 0 40 KJAB CCOc1ccc(NC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409385750 JZXWAMPHIGGZKR-FCHUYYIVSA-N 546.359 4.866 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)O)o1 409387096 ZLNOUZKMSVFRTH-FBHDLOMBSA-N 542.953 4.894 0 40 KJAB CCCCN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c2ccccc21 409387546 IZIIZMIUXPRDAA-ONQGDUAMSA-N 566.658 4.530 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccc(C)cc2)c2ccc(Cl)cc2)cc1OC 409410225 LNKVNTWLQJAZMT-UHFFFAOYSA-N 535.087 4.769 0 40 KJAB COc1ccc(CN2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OCCn1cccn1 585270542 FJFSEWZHNKQWTN-HHHXNRCGSA-N 500.039 4.647 0 40 KJAB CN1CCOc2ccccc2CCCCCC2(CCN(C(=O)c3ccccc3Cn3ccnc3)CC2)C1=O 643561823 AVOFBFSKFQMDEA-UHFFFAOYSA-N 514.670 4.808 0 40 KJAB C[C@H]1Oc2ccccc2CCCCC2(CCN(C(=O)CCCc3nc(-c4ccccn4)no3)CC2)CN(C)C1=O 643563825 YWJQSXGVQICAOB-HSZRJFAPSA-N 545.684 4.715 0 40 KJAB Cc1cccc2c1N(C(=O)COc1ccccc1)CCCN(C(C)C)CCN(C(=O)c1cnc(C3CC3)nc1)C2 643565482 ZYNBGVOWQYOMJI-UHFFFAOYSA-N 541.696 4.831 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 922234 BRUKXPLVCKXEHH-UHFFFAOYSA-N 514.551 4.517 0 40 KJAB CC[C@@H](c1nnnn1CCc1ccccc1)N(CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O 1374606 OVQMQSJFBLOKAD-LJAQVGFWSA-N 522.653 4.962 0 40 KJAB COc1ccc(NC(=O)[C@@H](C(C)C)N(Cc2ccc(Cl)cc2)C(=O)Cn2nnc3ccccc32)cc1 1419119 QILLGNPZNBHSJZ-AREMUKBSSA-N 506.006 4.785 0 40 KJAB CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C 2095722 UCLRAJWSFWSCND-RUZDIDTESA-N 519.619 4.972 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccccc4)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 2709270 BZSIJMHSFQQFDM-USDTVRPUSA-N 584.650 4.525 0 40 KJAB COc1ccc(C(C)=O)cc1CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccccc1 2971595 YHKVEEDSPWHYIK-UHFFFAOYSA-N 515.635 4.785 0 40 KJAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 6146292 CTVDMPOBNSSHCC-UHFFFAOYSA-N 538.508 4.688 0 40 KJAB COc1cc2cc([C@H](c3nnnn3C3CCCC3)N3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1OC 6239507 XZZMRGBVKJCBGT-MUUNZHRXSA-N 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CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2Cl)CC1 8897165 WRHFPGMWMBLIDA-UHFFFAOYSA-N 503.112 4.818 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)c(Cl)c1 13023764 LXZICUICFWQNMD-DEOSSOPVSA-N 508.985 4.698 0 40 KJAB O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1cn(-c2ccccc2)nc1-c1ccccc1 13525588 MXFHZFRIFOVQNO-UHFFFAOYSA-N 501.340 4.667 0 40 KJAB O=C(Cc1ccccc1)Nc1ccc(NC(=S)NC(=O)c2ccc(I)cc2)cc1 14276123 DEQXLJNIBSMKIA-UHFFFAOYSA-N 515.376 4.599 0 40 KJAB COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)N4CCCCC4)cc3Cl)ccc2s1 20022885 OLLZIFQHUHVLGG-UHFFFAOYSA-N 523.032 4.533 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1 22232821 BBGSVJQAQDAFPR-UHFFFAOYSA-N 528.602 4.766 0 40 KJAB Cc1ccc(C(=O)O[C@H](COc2cccc3ccccc23)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1 59565422 PXHJXTDBTYOWFR-QHCPKHFHSA-N 514.603 4.834 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2cc(Cl)cc(Cl)c2)cc1 59966782 FEPVWIGTIULHRQ-QGZVFWFLSA-N 555.505 4.778 0 40 KJAB CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCc3cc(OC)c(OC)c(OC)c3)c(=O)cc21 70669856 BNUVRLGTFNIDFK-NRFANRHFSA-N 536.625 4.584 0 40 KJAB biogenic CN(C)[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1)c1cccs1 95948485 OYEIXGQQHGMEFA-CQSZACIVSA-N 504.486 4.950 0 40 KJAB CCOc1c(I)cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1I 97966520 TYVRFJDNDDLKES-DHDCSXOGSA-N 563.104 4.778 0 40 KJAB COc1ccc(N2C(=O)N[C@H]3c4cccc(OC)c4O[C@@]2(C)[C@@H]3C(=O)Nc2ccc(C)cc2C)c(OC)c1 100032690 HNDXUQANOGYXDO-QEMZJVQQSA-N 517.582 4.964 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1OC)N(CCc1ccccc1C)C(=O)Cn1nnc2ccccc21 100355744 VNNZJZJJSBXFEB-LJAQVGFWSA-N 557.695 4.874 0 40 KJAB CCOc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2cccc(F)c2)cc1OC 100366706 NESUEZFHFARCFR-LJAQVGFWSA-N 547.631 4.915 0 40 KJAB COc1ccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)NCCCN2CCCC2=O)cc1 103135536 ICVQJKCLBIQUEF-GKYQZKGUSA-N 541.648 4.652 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3[C@H]3C=Cc4ccccc4N23)cc1Br 103542700 IJVNYPCZZSFRME-ZJHRHMSFSA-N 571.427 4.933 0 40 KJAB COc1ccccc1C(=O)NC(=S)Nc1ccc2nc(NC(=S)NC(=O)c3ccccc3OC)sc2c1 105220595 XSECYJGXCFFVDB-UHFFFAOYSA-N 551.675 4.567 0 40 KJAB CS(=O)(=O)N(CC(=O)NCCSCc1c(F)cccc1Cl)c1ccc(OCc2ccccc2)cc1 105286640 HSIAIABWCSMQKT-UHFFFAOYSA-N 537.078 4.874 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OC(C)=O)c(=O)n2[C@H]1c1ccc(SC)cc1 163716586 MWJIWRVSALKKOM-IYMWYRQMSA-N 760.413 4.655 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 222470936 KNBNFRYSIPCKSX-HHHXNRCGSA-N 553.700 4.970 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 222486152 IRFLLTZYSHVADI-NDEPHWFRSA-N 570.155 4.889 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 222546261 UDXGKIPBQTVSSE-JOCHJYFZSA-N 542.101 4.624 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 222631884 JVWLPPAWTLBWPH-OAQYLSRUSA-N 542.101 4.867 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 222656141 OFYVZVKYFPSJCC-GOSISDBHSA-N 566.482 4.800 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 222706810 QNTGMARRXDHFSQ-IBGZPJMESA-N 638.570 4.768 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 222786466 HHNMFDIMAMTOLR-LJQANCHMSA-N 562.063 4.602 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 222869996 UGRHKVKMPMLNCZ-NDEPHWFRSA-N 567.708 4.586 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 222958337 TUGLIIUXSIOPNB-OAHLLOKOSA-N 593.371 4.854 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 223024620 ROXOIPRCPDBVOT-AREMUKBSSA-N 542.101 4.706 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN1C(=O)c2cccc3cccc1c23 223025113 BTKOKXLLDPZDGG-GOSISDBHSA-N 522.443 4.896 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](CC)C(=O)NC)S(=O)(=O)c1ccc(Cl)cc1 223084698 DTQFUVKYRVCUJP-VWLOTQADSA-N 572.127 4.796 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223137088 MCJLZBWTGWLTQF-YTTGMZPUSA-N 599.753 4.975 0 40 KJAB COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)N(Cc2ccc(F)cc2)C(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 223155847 KIIDJHHQSUFQTM-XIFFEERXSA-N 631.770 4.595 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 223246771 KABXQLQHPWJJCX-DEOSSOPVSA-N 566.482 4.881 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 223262444 XUSHNHVGKGHKPY-VWLOTQADSA-N 515.720 4.572 0 40 KJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 223538112 SXWMFZOGRXCLCS-VWLOTQADSA-N 565.736 4.575 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOCc2ccccc2)c2cccc(C(F)(F)F)c2)cc1 223581502 UCOANOXVNWWOML-UHFFFAOYSA-N 506.546 4.542 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 223647124 LZKOXOQQIHSBQJ-VWLOTQADSA-N 535.710 4.669 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 223670596 WLDHFBLKPIBXSP-RUZDIDTESA-N 620.555 4.654 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 223804642 QLWKVZITCUUKIE-RUZDIDTESA-N 544.117 4.983 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 223812900 RBRHJNKOIYLZDD-LVXARBLLSA-N 626.573 4.539 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cccc(C)c2C)c2cc(Cl)ccc2C)cc1 223908411 SGDBOJAKGVYRNM-UHFFFAOYSA-N 501.048 4.964 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCO2 224009646 OVLGXIIKTUACOE-AJTFRIOCSA-N 516.638 4.911 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224014470 BHNHJNZEUAVNGY-NDEPHWFRSA-N 569.699 4.753 0 40 KJAB COc1ccc(CN(C(=O)COc2cc(C)c(Br)c(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 224066190 YHMFPGJURDTQRX-LJQANCHMSA-N 517.464 4.929 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 224081249 PQBHAALLSKNOPN-MHZLTWQESA-N 600.579 4.690 0 40 KJAB Cc1c(Cl)cccc1N(CCCC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 224108413 IGFWDPJDYSDIFE-QFIPXVFZSA-N 548.149 4.713 0 40 KJAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)s1 224153055 YVSLVGFAKFKWGE-UHFFFAOYSA-N 502.980 4.832 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 224222414 WKEHRGHHOGHMOB-HSZRJFAPSA-N 554.540 4.934 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 224228691 ZHHRSJWCWGEGOO-HHHXNRCGSA-N 535.710 4.751 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 224399140 GIPQBGGGBKZSSE-RUZDIDTESA-N 531.694 4.581 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 224561091 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(SC)cc3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409086751 WQDZQQDPWRYBDT-XOBACGFXSA-N 603.560 4.690 0 40 KJAB CCn1c(CNC(=O)COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cc(Cl)ccc1C 409158589 YMFPOYMINICASR-UHFFFAOYSA-N 516.067 4.809 0 40 KJAB CCOc1cc(/C=C2\N=C(c3ccc(OC(C)=O)c(OC)c3)OC2=O)ccc1OC(=O)c1ccc(OC)cc1 409189523 QBUQBQIKGJTHJI-HMAPJEAMSA-N 531.517 4.592 0 40 KJAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)C1=O 409228788 FENGVQDAAMLVEV-FYJGNVAPSA-N 554.372 4.707 0 40 KJAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(I)cc1C 409352877 XIMSQFWWKSONOP-UHFFFAOYSA-N 508.385 4.521 0 40 KJAB COCC(=O)N1CCCN(Cc2ccc(Cl)cc2)CCCN(C(=O)c2cccc(OC)n2)Cc2ccccc21 643573378 ZOYVKHGOUWDWBV-UHFFFAOYSA-N 551.087 4.661 0 40 KJAB O=C(CC[C@H]1CCCO1)N1CCCCCOc2ccc(CCCO)cc2CN(Cc2ccccc2)CC1 643582168 TYPOHXSCEOCSQE-GDLZYMKVSA-N 508.703 4.964 0 40 KJAB COc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2N2C(=O)C(Cl)=C(Nc3ccccc3OC)C2=O)C1=O 719431 BNHGUXDBSJTQPB-UHFFFAOYSA-N 579.396 4.575 0 40 KJAB 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KJAB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1cc(Br)c(Br)o1 10059147 MADNIVPAFATFTK-NRFANRHFSA-N 505.162 4.812 0 40 KJAB Cc1c(Cl)cccc1NC(=O)c1nc(S(C)(=O)=O)ncc1N(Cc1ccccc1)Cc1ccco1 11916648 NDCIJVHBPPNFJT-UHFFFAOYSA-N 511.003 4.894 0 40 KJAB COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCCC(C)C)c1ccc(C)cc1 12712426 HTZLYEJVWGGCIP-LJAQVGFWSA-N 513.642 4.681 0 40 KJAB COc1ccc(OC)c([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2cc(C)cc(C)c2)c1 13029081 KGCSVDJCMSKIJY-MUUNZHRXSA-N 529.641 4.755 0 40 KJAB COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2cc(C)ccc2C)c1 13029820 YGLBVWADRCNREG-GDLZYMKVSA-N 511.626 4.890 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)c(F)c1 13032300 MONHDTULFFHJKA-AREMUKBSSA-N 503.578 4.664 0 40 KJAB CC(C)(C)OC(=O)N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)O 16931509 ATGHEIGKPJZNFH-XMMPIXPASA-N 520.651 4.806 0 40 KJAB COc1ccccc1[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 19931186 VKJALJZGBHZEAU-IERDGZPVSA-N 507.439 4.769 0 40 KJAB COCCn1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)N(Cc1ccccc1)Cc1ccc(Cl)cc1 19973013 HHLFSAKZEGJICU-HHHXNRCGSA-N 529.044 4.915 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 20490440 NYTCQFUCARRXBK-UHFFFAOYSA-N 505.640 4.685 0 40 KJAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)c2c(nc(Nc3cccc(C(F)(F)F)c3)[nH]c2=O)N1 40400272 DSDAZFWSTOOQNP-GFCCVEGCSA-N 512.275 4.904 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)c2cccc(Br)c2)cc1C 59929939 IHFHOLDVVVPFAN-YADARESESA-N 545.499 4.923 0 40 KJAB Cc1n[nH]c(O)c1[C@H](c1ccc(-c2ccc(Br)cc2C(=O)OC(C)C)o1)c1c(O)n[nH]c1C 96193526 NYRAWMZBEBWLBT-UHFFFAOYSA-N 515.364 4.929 0 40 KJAB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=S)NC(=O)c2cccc(Cl)c2)c1 97948065 YVVPAYOGXAHTCA-UHFFFAOYSA-N 551.068 4.606 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCCOc3ccc(C)c(C)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 97959146 JUDNDYRMSSTWLX-AOFXREQWSA-N 628.747 4.890 0 40 KJAB CCCCc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)s2)cc1 97987864 ZMYNAIOOPUYDFB-UHFFFAOYSA-N 561.755 4.894 0 40 KJAB Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(=O)NC3CCCCC3)c2N)c2ccc(F)cc2)o1 100295362 AHYMZTLPPKEFAW-PXDATVDWSA-N 583.686 4.512 0 40 KJAB COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)c(C)c2)c1OC 100365427 IFNNVQYZOPIQBC-GDLZYMKVSA-N 541.652 4.899 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2)cc1 101391377 POIKXYQJVZPWTC-MGBGTMOVSA-N 590.684 4.685 0 40 KJAB CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(C(C)C)cc4)n(Cc4ccco4)c(=O)c23)C1 101447768 PXIYVZGYGZPDJD-UHFFFAOYSA-N 536.679 4.858 0 40 KJAB O=C1[C@H]2N=NN(CC(=O)N3N=C(c4cccc5ccccc45)C[C@@H]3c3ccccc3)[C@H]2C(=O)N1c1ccccc1 101482768 QBICSAQNFIREBY-XNFLFYSQSA-N 528.572 4.511 0 40 KJAB CCOC(=O)Nc1ccc2c(COC(=O)c3cccc(S(=O)(=O)Nc4ccc(OC)cc4)c3)cc(=O)oc2c1 103114592 QRUOKUJABJIELW-UHFFFAOYSA-N 552.561 4.528 0 40 KJAB CC1(C)C[C@@H](NC(=O)N2CCN(c3ccccc3)CC2)C[C@](C)(CNC(=O)N2CCN(c3ccccc3)CC2)C1 103767840 DFOPGGAZMWMGDN-DICHSLLOSA-N 546.760 4.635 0 40 KJAB C[C@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1)[C@H]1C[C@H]2CC[C@H]1C2 110558153 UJDQVRPBTJYXIE-NWZZKEMCSA-N 565.764 4.966 0 40 KJAB O=S(=O)(NC1CCCCCC1)c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccc(Cl)cc5Cl)c4n3)CC2)cc1 150373252 BSSLOMNLTIJGFH-UHFFFAOYSA-N 694.667 4.851 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 222545427 AYSLXVOXVGLOOI-SSEXGKCCSA-N 573.690 4.716 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 222549323 YBSFNGGUPLJERN-PMERELPUSA-N 603.716 4.724 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 222596357 PXNQUOYORHISJJ-XMMPIXPASA-N 522.111 4.527 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 222822876 LFJUNBQWSAOABZ-SANMLTNESA-N 662.205 4.902 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 222932791 LNVHGIGZELCQFF-SANMLTNESA-N 634.582 4.900 0 40 KJAB Cc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1C 223098579 SZWTUTGZZKYAEN-VWLOTQADSA-N 549.737 4.873 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 223137354 TYLJEDGYGCFXLM-HHHXNRCGSA-N 535.710 4.912 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 223526407 IEWDTEOZSHZYCP-NRFANRHFSA-N 586.538 4.600 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223652107 RIOAJNTYAJKLDH-SANMLTNESA-N 576.546 4.844 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 223701004 CNXDRCMPAWVILO-AYWVHJORSA-N 597.753 4.935 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c1 223809343 RBSSLEAYAIJZQI-VWLOTQADSA-N 607.773 4.992 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 224040030 UOUSRSZKMNRQLA-NDEPHWFRSA-N 570.155 4.889 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 224101140 RDOGTMSEBBFMLS-IBGZPJMESA-N 574.541 4.700 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 224359767 MXSWYPLDGWQZBH-RUZDIDTESA-N 560.091 4.926 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 224383258 XMXUBSVYIXDNFE-AREMUKBSSA-N 596.149 4.820 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 224522770 BDURRIUPIFTGEL-AREMUKBSSA-N 572.127 4.796 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 224598404 KZJMMFCOYYGMPB-NDEPHWFRSA-N 595.762 4.787 0 40 KJAB O=C(NCc1ccccc1CN1CCCCC1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 224829726 VLEIWZVZDZBCDV-QHCPKHFHSA-N 538.541 4.838 0 40 KJAB Cn1c(=O)sc2cc(NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccccc3)ccc21 225024718 RAKFHHWDRHPOPQ-UHFFFAOYSA-N 522.435 4.741 0 40 KJAB CCn1c(=O)sc2cc(NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)ccc21 225078879 BHQSBRIHWVCHII-UHFFFAOYSA-N 502.017 4.570 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(I)cc1 225164749 MTXUUCHRZLBHKH-CVEARBPZSA-N 528.818 4.655 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 225165731 BJSQGOGTDUEHFM-IFMALSPDSA-N 536.138 4.835 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 225177912 JKZIDVOEDKCIJK-GDLZYMKVSA-N 565.736 4.923 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 225343799 QGHKALBQXXHMQR-NRFANRHFSA-N 548.920 4.746 0 40 KJAB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 225360211 WYBXRZQHFGDEKT-HHHXNRCGSA-N 594.133 4.574 0 40 KJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1NS(C)(=O)=O 225485440 STIMBZUGNMKDNZ-RPBOFIJWSA-N 525.700 4.946 0 40 KJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1NS(C)(=O)=O 225491104 XKKHNAZSVCDLFI-DQEYMECFSA-N 564.645 4.597 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 225536775 BRELIHCSNJMHOL-HHHXNRCGSA-N 640.600 4.930 0 40 KJAB Cc1ccc(-c2nnc(NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(C)(=O)=O)s2)cc1 225615996 IUAJKULQESMETG-UHFFFAOYSA-N 504.943 4.590 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 225647098 DYJBZZABAPURJX-ATIYNZHBSA-N 569.699 4.752 0 40 KJAB O=c1sc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2n1Cc1ccccc1Cl 225800492 XIICDXPZBNOAFX-UHFFFAOYSA-N 534.490 4.929 0 40 KJAB C[C@@H]1CCCN(c2cc(N3CCCCC3)nc(NC(=S)NCC3(c4ccc(F)cc4)CCOCC3)n2)C1 226000487 MESDIEIJGCMXTF-OAQYLSRUSA-N 526.726 4.877 0 40 KJAB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@H]1C[C@@H]2[C@H]2[C@H]1Sc1[nH]c(=O)sc1[C@H]2c1ccc(F)cc1 247535029 QFGDUGJTSQXGGQ-LXKXAPTBSA-N 513.015 4.907 0 40 KJAB O=C(COc1ccc(Br)cc1/C=c1\sc2nc(-c3ccncc3)nn2c1=O)Nc1cccc(C(F)(F)F)c1 256055785 TWMPVSKNPZRPGS-JAIQZWGSSA-N 602.392 4.560 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC)S(=O)(=O)c1ccccc1 260749095 CADBAOWSXDRENE-WJOKGBTCSA-N 587.717 4.970 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 260785108 LHPWRSHAXIEISV-LJQANCHMSA-N 554.540 4.852 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)c2ccccc2C)cc1 260884830 JUJGRYWHQSXWOP-AREMUKBSSA-N 549.737 4.997 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@@H](C)c3cc(C(C)C)c(OC)cc3C)Oc3ccccc32)cc1 260953294 ZYSLDSAICIJFAN-WTYVLRPYSA-N 538.666 4.969 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 260968286 LZXIIXDQEBTAAH-JOCHJYFZSA-N 569.699 4.752 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1 260978980 KOKXNXIQRPPLAQ-JOCHJYFZSA-N 597.709 4.514 0 40 KJAB 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CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](c5ccccc5)CC[C@H]4C3=O)cc2)cc1 408685254 LCCOBUPTVRWFFJ-MVNQZMKCSA-N 524.573 4.758 0 40 KJAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccc(Oc5ccccc5)cc4)cc3)C(=O)[C@@H]21 408689601 SGCROYAIHXATST-OLVGDHEJSA-N 522.557 4.976 0 40 KJAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCC(=O)Nc4cc(C(F)(F)F)ccc4Cl)cc3)C(=O)[C@@H]12 408691472 ZZMJIAPZUPULKP-RBLYABSFSA-N 532.902 4.856 0 40 KJAB COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c1 408727969 HARLOHXOVKPLEE-ITYMFSOSSA-N 567.233 4.883 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OC)c(=O)n2[C@H]1c1ccc(C)cc1 408835886 ZPURXHMILMJCJF-RZXXJPOTSA-N 606.336 4.640 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C(C)C)c(O)c(C(C)C)c3)c(=O)n2[C@@H]1c1ccccc1 408854276 BJDMQMDODBVTQM-LWUPDDLQSA-N 504.652 4.751 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408982160 IQTZGXKDWCIMDE-FQWZWQHVSA-N 726.589 4.965 0 40 KJAB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccccc2C)N[C@H]1c1cccc(Br)c1 408988677 IVATZFVYYWLCKG-NRFANRHFSA-N 502.434 4.967 0 40 KJAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OCC)c(OCC(=O)Nc3ccc(F)cc3)cc2Br)C1=O 409020992 WPUIRPBWGHBYBI-VPNURPJOSA-N 595.443 4.992 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(N(CC)CC)o3)c2=O)=N1 409037361 NCYLPPRERXFCGU-UQTDQPHJSA-N 602.551 4.789 0 40 KJAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc(C)c3)c(OC)c2)C1=O 409066843 CTVYMMKUMHBEFE-HIPSJFSSSA-N 520.401 4.943 0 40 KJAB O=C(O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)C1=O 409126761 PEESHXZGRXGUFL-LZYBPNLTSA-N 529.739 4.645 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc(I)c1OC 409169853 RJJGZCGOMPXJPP-LZYBPNLTSA-N 558.781 4.637 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)ccc1OCC(=O)Nc1ccccc1 409241377 SCQRPDVAEWLBPZ-YDZHTSKRSA-N 535.553 4.527 0 40 KJAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)NCc2ccccc2)n1C 409356121 FBOVMWKCLIRSAW-HXUWFJFHSA-N 506.459 4.658 0 40 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0 40 KJAB O=C(CSc1ncc2c(n1)-c1ccccc1N(Cc1cccc(F)c1)S2(=O)=O)NCc1ccc(F)cc1 101273119 OHPJXADCALIBAT-UHFFFAOYSA-N 538.601 4.539 0 40 KJAB COc1cc(C2=C(c3nc4ccccc4[nH]3)[C@H](c3cc(OC)c(OC)c(OC)c3)NC(=S)N2)cc(OC)c1OC 102239229 YCYNEPAHVOBNSO-DEOSSOPVSA-N 562.648 4.702 0 40 KJAB CCCOc1ccc(N2C(=O)[C@H]3ON([C@H](CC(=O)O)c4ccccc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 102736803 ATDHMUDZGKYGBE-WSEBHVOGSA-N 500.551 4.538 0 40 KJAB Cc1ccc(C)c(-n2c(SCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2-c2ccccc2Cl)c1 103125607 ABZUFYDFVIRZQL-UHFFFAOYSA-N 598.150 4.956 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CC(C)(C)OC4)cc1 103623175 LHGVHQSLKOFEFH-UHFFFAOYSA-N 593.731 4.835 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCC)c(=O)n2[C@H]1c1ccccc1OC(C)C 104626121 RBSHZEXXGSRPDI-GJFKPFFXSA-N 541.069 4.638 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C)cc1C 222641058 AZJGKJMKRIMEQH-DEOSSOPVSA-N 509.444 4.831 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](CC)C(=O)NC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 222825008 AJDODZOQRHWFBK-LJAQVGFWSA-N 641.787 4.638 0 40 KJAB CSc1nnc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccc(C)cc2)s1 222908226 KAYGONBNDDOLAY-UHFFFAOYSA-N 503.458 4.709 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 222973961 WWTVDVSFUVZYPT-GOSISDBHSA-N 566.482 4.881 0 40 KJAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1Cl 223009613 IFBBYXZLTSLGNT-UHFFFAOYSA-N 527.451 4.944 0 40 KJAB CCC1(CC)C[C@@H](NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c2ccccc2O1 223023544 JKXXDTYYTXEOOG-QGZVFWFLSA-N 507.037 4.805 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c2ccccc2F)cc1 223104529 KVNHPCUMCUURNA-QHCPKHFHSA-N 553.700 4.704 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCSCc1ccc(Cl)c(Cl)c1 223111122 TXXFUZPSHBYAPM-UHFFFAOYSA-N 531.527 4.769 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 223141609 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VVVPTMLJQDREKY-VWLOTQADSA-N 547.721 4.975 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 223827156 BUHXOZJYNSRZNZ-IBGZPJMESA-N 528.074 4.726 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 223891898 JTLVFCJTEQAMGL-JOCHJYFZSA-N 568.523 4.642 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 223940594 XVBQMNOKOSDMGF-OAQYLSRUSA-N 602.551 4.597 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223973526 OYYBTWAHAUZBHO-VWLOTQADSA-N 582.163 4.627 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 224323779 JAAUQDZSDLLANS-PMERELPUSA-N 575.706 4.766 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 224377857 ONQLDHQUZPXOAO-KRWDZBQOSA-N 518.441 4.559 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c2ccc(C)cc2)cc1 224497683 CKKCXTXFDJFSGP-SANMLTNESA-N 579.763 4.821 0 40 KJAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 224836054 NREITRLLBYPPIU-PMERELPUSA-N 561.748 4.623 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 225236077 HTGQUPNPBQJFPX-JOCHJYFZSA-N 646.604 4.995 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2cccnc2)cc1C 225265233 GLOHDSHEWFAZNM-KAYWLYCHSA-N 512.639 4.646 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc(Br)cc1 225443968 KMQCLIGQEACDDC-AWEZNQCLSA-N 514.283 4.608 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 225525354 CVXLMXJOFPAJHS-NDEPHWFRSA-N 660.631 4.789 0 40 KJAB COc1ccc(-c2nnc(NC(=O)CN(c3ccc(OC)c(Cl)c3)S(=O)(=O)c3ccccc3)s2)cc1 225586420 BAUTWLMGXQCJIR-UHFFFAOYSA-N 545.042 4.710 0 40 KJAB CCN(CC(=O)Nc1ccc2c(c1)N(C(=O)c1ccc(OC)cc1)CC2)S(=O)(=O)c1cc(Cl)ccc1Cl 226054952 LMWMEVWDJSRWBZ-UHFFFAOYSA-N 562.475 4.854 0 40 KJAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(Cc2noc(C(C)C)n2)cc1 226054977 WYIWOJDVELMQJE-UHFFFAOYSA-N 526.659 4.721 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC)c2ccc(F)cc2)cc1 260752397 GKXNXEXBDATAJT-WJOKGBTCSA-N 621.706 4.945 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 260817959 WVDCULSKAWSTCM-HSZRJFAPSA-N 527.731 4.580 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 260826342 YVBKKHJQMXOGLN-XMMPIXPASA-N 653.798 4.783 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc(CN4CCCCC4)cc3)Oc3ccc(Cl)cc32)cc1 260890986 WDMXBZXWOMSSGR-MUUNZHRXSA-N 554.112 4.907 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 260991722 CSAVAWPDLPNOIW-CVEARBPZSA-N 548.920 4.745 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 261045675 ZHAYBJQPNFBFOJ-OZXSUGGESA-N 529.747 4.880 0 40 KJAB O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1 408547270 YCDYZRBOBASZGF-UHFFFAOYSA-N 518.466 4.533 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408549219 QZVZOFHKOCPALB-CAOOACKPSA-N 558.212 4.799 0 40 KJAB O=C(Nc1ccc2c(c1)OCO2)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Cl)ccc21 408601899 CFDRSWLIUUIDJY-UHFFFAOYSA-N 511.321 4.638 0 40 KJAB Cc1ccc(C(=O)[C@@H](C)OC(=O)CN2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408651586 GWRQIBQSOXZYOC-SPDZQHQLSA-N 548.422 4.703 0 40 KJAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408685451 QSCJWKLFUKBQAQ-YBWGJNNCSA-N 573.045 4.747 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3C)cc2)cc1 408712298 JEEMHLPHGLWCOF-UHFFFAOYSA-N 551.646 4.858 0 40 KJAB O=C([C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408714413 QDCFUKFOILOPRG-SFHVURJKSA-N 564.457 4.903 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 408786855 OQEJPAZGQWQRCO-JRXNCPAPSA-N 560.632 4.558 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 408981210 ACZJCUPBFALXKC-FIXXDFOUSA-N 658.729 4.522 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)OCC)cc4)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409031746 KTUOPJVLSIFHQX-VWUPUJNNSA-N 714.793 4.505 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)c(I)o4)c(=O)n32)cc1 409050380 VEONVCPFMZRJJG-BUDOKORBSA-N 657.324 4.546 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4Cl)cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409050679 YMGGTJUDWSGQRS-GORIGYSASA-N 677.175 4.981 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(s/c(=C3\C(=O)N(Cc4ccccc4)c4ccccc43)c2=O)=N1 409110609 FJTFARROMKBCPK-QPNXRCJGSA-N 582.685 4.791 0 40 KJAB O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 409135381 UUIHAPQKYAUNJO-UHFFFAOYSA-N 512.937 4.897 0 40 KJAB C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)n1C 409139813 CCHJECVYQWRLJC-AWEZNQCLSA-N 557.499 4.923 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1OC 409161774 ZGKAIRKYFJNUAV-ZDLGFXPLSA-N 583.844 4.728 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(I)cc3)S(=O)(=O)c3ccccc3)cc2)cc1 409177754 CRIAYWZPKPHVCF-UHFFFAOYSA-N 677.542 4.935 0 40 KJAB O=C1N/C(=C/c2ccccc2OCc2ccc(I)cc2)C(=O)N1Cc1ccccc1 409236663 SVZWNYZALVOYGG-KGENOOAVSA-N 510.331 4.963 0 40 KJAB COC(=O)c1cccc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)c1C 409256183 KDCZXLUHNFEDQI-UHFFFAOYSA-N 531.428 4.687 0 40 KJAB CN1CCCCCCOc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(Cl)c2)CCC(=O)N[C@@H](Cc2ccccc2)C1=O 1615152892 ACVBXNDUGCTKAU-KYJUHHDHSA-N 633.189 4.674 0 40 KJAB COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C[C@@H]1C[C@H]3OC(C)=O 2038184416 GVIZCQOBODPSLY-YLOKVFRSSA-N 504.664 4.887 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(C3CCCCC3)[C@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)o1 886368 WQNHYSZAPXSYTA-SANMLTNESA-N 522.625 4.732 0 40 KJAB O=S(=O)(c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2cccs2)cc1)N1CCCCCC1 933734 XEQUQXBUZRTPRJ-UHFFFAOYSA-N 518.726 4.746 0 40 KJAB CCN1C(=O)COc2ccc(C(=O)[C@H]3Oc4ccccc4[C@]3(O)c3cnc4c(c3)COc3ccc(C)cc3-4)cc21 990156 XVKWTTUMMSULBZ-ROJLCIKYSA-N 534.568 4.575 0 40 KJAB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccccc1Br 1268464 JSGBGHCFNKVDIT-UHFFFAOYSA-N 529.485 4.600 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O 1374419 DVRWIGPIQDZUGP-MHZLTWQESA-N 512.589 4.864 0 40 KJAB CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 1374529 MRSVPWZYWWQCCG-AREMUKBSSA-N 504.610 4.997 0 40 KJAB Cc1cc(C)c2cc([C@@H](c3nnnn3Cc3ccco3)N3CCN(c4cc(Cl)ccc4C)CC3)c(=O)[nH]c2c1 1382537 FCUZUEYDBQZMPN-MHZLTWQESA-N 544.059 4.646 0 40 KJAB Cc1ccc(C(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1S(=O)(=O)N1CCCCC1 3296143 HFADFLHTOSHTMO-UHFFFAOYSA-N 514.669 4.737 0 40 KJAB C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(NC(=O)c3ccnc(Cl)c3)nc1[C@H]2CC(=O)NCc1cccs1 4222384 MZNIPCRXZWFIQA-CLFWJIOASA-N 575.156 4.627 0 40 KJAB biogenic,in-vitro COc1ccc(NC(=O)O[C@@H]2CC[C@@]3(C)[C@H](CC(=O)NCc4ccccc4)[C@H](O)CC[C@@H]3[C@]2(C)CO)cc1 4236662 DQUISWDUXGKSRF-AECPDVIXSA-N 524.658 4.505 0 40 KJAB biogenic,in-vitro CC(=O)Oc1cc(CN(Cc2ccccc2)C(C)=O)c(OC(C)=O)cc1CN(Cc1ccccc1)C(C)=O 4706170 AEXTZQZOLBZLIQ-UHFFFAOYSA-N 516.594 4.635 0 40 KJAB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccccc2OC)cc1 6924845 USUDKSRYQVATTH-HHHXNRCGSA-N 539.588 4.642 0 40 KJAB COc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc1 8454972 XACVTFMMJJSWFJ-FPNNDXFKSA-N 571.037 4.637 0 40 KJAB CCOc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2N2CCOCC2)cc1 8687797 HZPUUWJSWPHYBC-UHFFFAOYSA-N 516.019 4.628 0 40 KJAB aggregator Cc1ccc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1S(=O)(=O)N(C)C 8774499 MBPSFCDHSFWNAN-UHFFFAOYSA-N 515.107 4.606 0 40 KJAB aggregator O=C(COc1c(Cl)cc(Cl)cc1Br)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 9779294 YMOHZAHKSGSEAT-ZDUSSCGKSA-N 502.192 4.682 0 40 KJAB Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(I)cc3)cc2)S(C)(=O)=O)c1 10328857 BLKMPTZXMOTWMH-UHFFFAOYSA-N 520.392 4.818 0 40 KJAB O=C(NCCCC[C@@H](NC(=O)c1ccccc1)C(=O)OCc1cnc(-c2ccccc2)o1)c1ccccc1 12629798 YZEHSXLGQICEMF-AREMUKBSSA-N 511.578 4.784 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(CCc2ccccc2C)C(=O)Cn2nnc3ccccc32)cc1 12713820 KXYCHFWICLMKKK-LJAQVGFWSA-N 527.669 4.866 0 40 KJAB CCOc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2cccc(OC)c2)c1 12714346 CVGFAJDUDGNODB-MHZLTWQESA-N 515.614 4.528 0 40 KJAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 13102776 BMUXWJMDJFQBKJ-UHFFFAOYSA-N 519.593 4.819 0 40 KJAB CC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O 13494480 XCVWEDLNDMVXSU-QFIPXVFZSA-N 502.619 4.769 0 40 KJAB COCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@]12C(=O)N(Cc1ccccc1F)c1ccccc12 16742404 DOZUGNJRIRKGQN-SSEXGKCCSA-N 512.537 4.523 0 40 KJAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1cccc(OS(=O)(=O)c2ccccc2)c1 18247108 PMXFRCJRHAZIRP-SALAOISXSA-N 507.567 4.851 0 40 KJAB CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)c3nc4ccccc4n32)cc1 19819412 AZTDYCSWGVGLGN-SANMLTNESA-N 506.566 4.635 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CSCc3cc(C)cc(C)c3)cc2)c1 20061232 CIXZYQMRRCCJAC-UHFFFAOYSA-N 500.642 4.993 0 40 KJAB CCc1ccccc1N(CC(=O)NCc1ccccc1-n1ccnc1C)S(=O)(=O)c1ccc(C)cc1 22430648 ZPDUHPZNWRQGFE-UHFFFAOYSA-N 502.640 4.563 0 40 KJAB CN1CCN(CC(=O)N2N=C(c3c(-c4ccccc4)c4cc(Br)ccc4[nH]c3=O)C[C@@H]2c2ccccc2)CC1 22866622 IVHMVEIPJFQXSU-HHHXNRCGSA-N 584.518 4.883 0 40 KJAB COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cc(OC)c(OC)cc1OC 44859745 IFCCHJHXPIOHEY-SANMLTNESA-N 500.555 4.998 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)c1 59883795 PYRWPMGPHISFKF-UHFFFAOYSA-N 609.726 4.955 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cc(Cl)cc(Cl)c1 59885157 BTBSDSJQEVVZLG-UHFFFAOYSA-N 562.884 4.852 0 40 KJAB O=C(Nc1ccc(CSc2ccccc2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 59888781 XXGPWCKHSDBLAH-GDLZYMKVSA-N 607.779 4.681 0 40 KJAB CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3ccc(OC)cc3)C2)c1 97963912 YPJUFBUYTAVULM-XMMPIXPASA-N 534.059 4.650 0 40 KJAB COc1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1S(=O)(=O)N1CCOCC1 97980277 NIEKMNAMDOOUFZ-LFYBBSHMSA-N 549.674 4.953 0 40 KJAB COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 97985155 OXJGRPIPYHBJKI-UHFFFAOYSA-N 713.160 4.868 0 40 KJAB CCOC(=O)C1=C(CSc2nc3cc(OCC)ccc3[nH]2)NC(=O)N[C@H]1c1cc(OCC)ccc1OCC 98007033 HTBFFPJTYLMVGS-DEOSSOPVSA-N 540.642 4.722 0 40 KJAB Cc1ccc(C)c(N2CCN([C@H](c3cc4c(C)cc(C)cc4[nH]c3=O)c3nnnn3CCc3ccccc3)CC2)c1 100355105 DLZJSVBQFVSAEU-WJOKGBTCSA-N 547.707 4.903 0 40 KJAB CC1(C)[C@@H]2CC[C@]1(C)CN(C[C@H](O)COc1ccc(OC[C@H](O)CN3C[C@@H]4CC[C@@](C)(C3)C4(C)C)cc1)C2 101325669 QGHVACNSTKVODF-WORDXJGASA-N 528.778 4.682 0 40 KJAB Cc1ccc(S(=O)(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)c2ccc(C(=O)NC(C)(C)CO)cc2)cc1 102416388 ZRGJZAKGTNMZIS-SANMLTNESA-N 585.726 4.860 0 40 KJAB O=C(CSc1ncc2c(n1)-c1ccccc1N(Cc1cccc(F)c1)S2(=O)=O)Nc1ccc(F)cc1 102451407 KGWHTPMLPQUMJI-UHFFFAOYSA-N 524.574 4.862 0 40 KJAB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 104052721 QFZYENKULVKMPL-HMAPJEAMSA-N 505.983 4.527 0 40 KJAB CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)cc1 198274323 RMTZWKJYWJDFRI-UHFFFAOYSA-N 649.416 4.514 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 216204849 GHFLDUOGUQTBHC-UHFFFAOYSA-N 645.557 4.878 0 40 KJAB CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(SC)cc2)cc1 216335962 PYXROAIEICDIHB-IBGZPJMESA-N 544.695 4.897 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 222406293 VPPCDWLHIPULQA-LJQANCHMSA-N 548.492 4.660 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 222406629 ZEQYQTZGSZWVKZ-IBGZPJMESA-N 548.492 4.660 0 40 KJAB 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514.655 4.981 0 40 KJAB COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(NC(=O)c2ccccc2C(=O)O)cc1OC 2091628 JWORADFZMPTQNQ-UHFFFAOYSA-N 502.523 4.811 0 40 KJAB biogenic COc1ccc(C(=O)N(C(=O)c2ccc(OC)c(Br)c2)C2=NCCS2)cc1Br 2215829 NJZSJTHTAQGAEU-UHFFFAOYSA-N 528.222 4.614 0 40 KJAB COc1ccc(-n2c(COc3ccc(Cl)cc3)nnc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1 2446602 HIAVYQYMZMAEFM-UHFFFAOYSA-N 524.986 4.968 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OC(C)C)cc4)c(=O)n32)cc1 8443941 PZSRONGWRZQYSR-IAOUMNOZSA-N 539.657 4.670 0 40 KJAB Cc1ccccc1CN(C(=O)CN1C(=O)C(=O)c2ccccc21)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[C@H]1CC=CCC1 8712840 IODPTFOEVVRGHU-SMSORMJASA-N 565.626 4.645 0 40 KJAB O=C(CCc1nnc2n(Cc3ccc(Cl)cc3)c(=O)c3ccccc3n12)NCCc1c[nH]c2ccccc12 9831466 ZSYRCWOXFDBZGI-UHFFFAOYSA-N 525.012 4.519 0 40 KJAB CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1cc(OC)cc(OC)c1 9856001 QVZXJRKIVZZYLW-UHFFFAOYSA-N 514.578 4.850 0 40 KJAB COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(N[C@H](C)C(=O)Nc3ccc(F)cc3)n2)cc1 9908138 LPKVAICVSNJNRZ-MRXNPFEDSA-N 503.538 4.954 0 40 KJAB COc1ccc(CCN(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC(C)(C)C)c2ccc(C(C)C)cc2)cc1 12484314 CCRMOMNODSBPLU-NDEPHWFRSA-N 533.669 4.869 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 13024474 KOCYTPJVDMOQKX-VWLOTQADSA-N 505.644 4.576 0 40 KJAB COc1cccc([C@H](C(=O)NC2CCCC2)N(CCc2ccc(OC)c(OC)c2)C(=O)c2ccco2)c1 13025806 LFXYDTKOYOGZLO-HHHXNRCGSA-N 506.599 4.790 0 40 KJAB CCc1nnc(SCc2ccccc2)n1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 14274288 DVAOMEVECCXXJO-UHFFFAOYSA-N 503.653 4.970 0 40 KJAB COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(OC)c(OCc3ccccc3)c2)c1 14360991 VVUWLCAOIXWSBK-AREMUKBSSA-N 503.555 4.558 0 40 KJAB CC(C)CNC(=O)c1ccccc1NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 14396967 CFIMYINFXPELLH-UHFFFAOYSA-N 500.448 4.564 0 40 KJAB COc1ccccc1NC(=O)CN1C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)Sc2ccccc21 16973536 ZYCXKUUVUNSNGS-DEOSSOPVSA-N 508.596 4.930 0 40 KJAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccccc2OCc2ccc(F)cc2)c(OC)c1 17086320 DKVCHUBQSZHJDO-SANMLTNESA-N 515.545 4.941 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(Cl)cc2Cl)cc1 22271242 GOXREIRRZYVVNK-HSZRJFAPSA-N 507.439 4.598 0 40 KJAB CN(C)CCCNC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC(C)(C)C)[C@@](C)(O)C1 35323683 HYLLWXCSKVAJES-PRKAKTJASA-N 523.114 4.673 0 40 KJAB Cc1cc(C)n(CC(=O)Nc2ccc(C(C)C)cc2)c(=O)c1S(=O)(=O)c1ccc(Br)cc1 35396824 GUXVDRUZIOQZPN-UHFFFAOYSA-N 517.445 4.823 0 40 KJAB CCOC(=O)c1ccccc1COCc1cc([C@@H]2N[C@@H](C(=O)OC)Cc3c2[nH]c2ccccc32)ccc1OC 36368093 CFGBQSLJZKRBDT-IAPPQJPRSA-N 528.605 4.847 0 40 KJAB biogenic CN(C)CCCN(C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1nc2c(F)cccc2s1 38139129 RSOUPYFSXLBXAK-UHFFFAOYSA-N 540.686 4.855 0 40 KJAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)S(C)(=O)=O)cc2)n1 59852737 PQVUIFXUDJGAEK-UHFFFAOYSA-N 623.801 4.767 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccccc4)c3)c(=O)n2[C@H]1c1ccccc1OC 97946638 KYIZBPOWWYHZOO-XKGHIZKOSA-N 526.614 4.599 0 40 KJAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2)n2c(s/c(=C/c3ccc(OC(F)F)cc3)c2=O)=N1 98042955 LTQYCTWOUGLQCW-ZMIGGIFCSA-N 531.584 4.784 0 40 KJAB CCOc1ccc(CNC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 100082309 AXGYOFMSXDLDJK-UHFFFAOYSA-N 547.471 4.758 0 40 KJAB COc1cc(-c2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)c3ccccc3n2)cc(OC)c1OC 103049150 VGFANLJXRZAZRK-UHFFFAOYSA-N 535.622 4.739 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4ccc(O)c(Br)c4)c(=O)n32)cc1 103865475 ZDFFDRPMCLGOBN-CRCYZHLCSA-N 604.526 4.967 0 40 KJAB O=C(Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1)c1ccccc1I 103934174 RFIUQSMBJCLRTA-XNTDXEJSSA-N 537.401 4.906 0 40 KJAB COc1cc(C(=O)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)cc2)cc(OC)c1OC 105322771 VGXDELUZJKWDDG-UHFFFAOYSA-N 537.485 4.987 0 40 KJAB CCOc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)ccc1O 105544625 WFXDUSOWTDPMKL-LYZNADGASA-N 511.615 4.725 0 40 KJAB COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2ccccc2N(C(=O)COc2ccc(F)cc2)C1(C)C 153405399 XQKTXNQUUCGLML-UHFFFAOYSA-N 701.772 4.822 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCC)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 163632838 PARAKGGNLPDGFW-GSOQPGDSSA-N 666.388 4.739 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1CN(CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1)C1CCCCCCC1 195532242 VSMBPHQITDNJDH-WXGMZPBLSA-N 643.785 4.928 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 222555114 AQGVFVCCYCNXCR-HKBQPEDESA-N 633.742 4.733 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCCNc2ccnc3cc(Cl)ccc23)C1 222599325 ZHFSGQBUMHJDKG-QGZVFWFLSA-N 551.496 4.569 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCNc3ccnc4cc(Cl)ccc34)cc2)cc1 222706504 RBKMBPCUESUEGC-UHFFFAOYSA-N 555.056 4.695 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 222868254 ZNQHJRRKSDTMPE-QFIPXVFZSA-N 553.700 4.915 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 222989375 RHEDEJARXNPCCA-JOCHJYFZSA-N 586.552 4.815 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 223071099 ZWVODTKXRHFQMY-VWLOTQADSA-N 542.101 4.706 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 223111612 WWKMWSIDJLNYNR-XMMPIXPASA-N 548.492 4.742 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 223296670 UBRACPNUCKEUEA-SANMLTNESA-N 620.997 4.953 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(I)cc1 223307886 KCJHJANLULIASK-OAQYLSRUSA-N 522.427 4.701 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 223425080 IYCRPAGLFFPTNE-DEOSSOPVSA-N 578.518 4.751 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223510102 BMMBIWOMDFGDFU-HXUWFJFHSA-N 571.662 4.594 0 40 KJAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1C(=O)N1CCCCCC1 223595600 JDUVFILQKFVNHK-UHFFFAOYSA-N 526.659 4.537 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 223819236 HEMOQFQJZSAFPW-JOCHJYFZSA-N 612.148 4.783 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 223880144 XUSIEBSCHYRJGB-MRXNPFEDSA-N 578.028 4.740 0 40 KJAB CC(C)CSc1nnc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)s1 224002996 LIQGAFMIBATJHT-UHFFFAOYSA-N 541.518 4.883 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224012796 BIALUAUCWOLZLH-NDEPHWFRSA-N 611.761 4.631 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 224027308 ZEQIATVPCSTPMU-OAQYLSRUSA-N 632.577 4.523 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 224259405 YVUXNTRQBXLARB-HHHXNRCGSA-N 535.710 4.780 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 224434469 DUBVRFOVMCAVFH-JOCHJYFZSA-N 564.482 4.761 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c2ccccc2C)cc1 224490936 LZGBLKDGTNAZMF-SANMLTNESA-N 549.737 4.731 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224550486 CVRGIEHZTQMPLU-DEOSSOPVSA-N 555.663 4.831 0 40 KJAB CCN1c2ccc(Cl)cc2C(c2ccccc2)=C(C(=O)NCCOc2ccc(F)cc2)S1(=O)=O 224577353 YXRHTMZHXRSNFQ-UHFFFAOYSA-N 500.979 4.603 0 40 KJAB CN(CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 224785571 VHTICJYHGNRVLE-PMERELPUSA-N 561.748 4.786 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2CN2CCCCC2)c2ccc(C)cc2)cc1 224816708 ZYQOQIXOWWQUMC-UHFFFAOYSA-N 535.710 4.891 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 224908550 AGHXYSMFTOUKJU-IBGZPJMESA-N 542.529 4.792 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccccc1OCC)S(C)(=O)=O 224941964 VTINWZUVFMKBBP-IBGZPJMESA-N 572.555 4.882 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 224990863 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COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cc5ccccc5o4)CC3)cc2)c1 21576990 OFKBGOFZFDOAGG-UHFFFAOYSA-N 514.607 4.531 0 40 KJAB COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)c1 59881632 FGIFFAGOKKOYEU-UHFFFAOYSA-N 586.091 4.983 0 40 KJAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)NCCc1ccccc1 70700693 NOYDNWGZLGUIRX-TWOBWXESSA-N 534.660 4.528 0 40 KJAB biogenic Cc1oc2cc3oc(=O)c(CC(=O)N[C@H](Cc4ccc(Cl)cc4)C(=O)N[C@H](C(=O)O)C(C)C)c(C)c3cc2c1C 97957039 JOKZXVZERUECEI-KCWPFWIISA-N 567.038 4.613 0 40 KJAB COc1ccc(OC)c([C@@H]2C3=C(N=c4s/c(=C\c5cc6c(cc5Br)OCO6)c(=O)n42)c2ccccc2CC3)c1 97958831 WZZHJTSHRCOSAE-QVPVGFNESA-N 603.494 4.827 0 40 KJAB COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)cc3)n2-c2ccccc2Cl)cc1 97963319 OCABBQFMTVGTNF-UHFFFAOYSA-N 538.029 4.599 0 40 KJAB O=C(CCCC(=O)OCC(=O)c1ccc(Br)cc1)OCC(=O)c1ccc(Br)cc1 97998459 UKUFDHRGYIMXAM-UHFFFAOYSA-N 526.177 4.534 0 40 KJAB 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COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3nnc(SCc4ccccc4)s3)cc2)cc1OC 224247856 DHZGAVMXTMRIFZ-UHFFFAOYSA-N 556.691 4.925 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1 224295225 RXPIYYPIINRQMF-QHCPKHFHSA-N 553.700 4.773 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 224362707 LXDWJDUBDXCVHE-INIZCTEOSA-N 548.920 4.602 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 224389532 CCMBKOOWLSTWQO-QFIPXVFZSA-N 558.503 4.765 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 224648561 FOIUATJKLFZGQT-RUZDIDTESA-N 535.710 4.751 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1Cl 224687801 CWQLFVSLOVHGBN-NRFANRHFSA-N 534.122 4.589 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1Cl 224830710 ZEWHPJDRFPRINI-MHZLTWQESA-N 586.154 4.588 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 225214581 DQSFWINAXWCNMV-DNQXCXABSA-N 553.700 4.970 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 225265574 FZMKXIYLCRWUAR-FQEVSTJZSA-N 566.017 4.598 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 225345695 IOYDKOHEQXRKPJ-QFIPXVFZSA-N 542.529 4.710 0 40 KJAB CCc1ccc(CC)c(CNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)c1 225386160 GIADFKBVTFQNOY-UHFFFAOYSA-N 501.048 4.985 0 40 KJAB Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(NS(C)(=O)=O)cc1 225402033 HXPLFCRIIIXHPC-LOSJGSFVSA-N 503.653 4.729 0 40 KJAB CC(C)c1nc(Cc2ccc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccccc4)cc3)cc2)no1 226084547 GCPGDUICAZCXSV-UHFFFAOYSA-N 506.584 4.602 0 40 KJAB CN(C)c1ccc([C@H]2c3sc(O)nc3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(c6ccccc6)C(=O)[C@@H]54)[C@H]23)cc1 250359112 RGZQBXLWGJSYLU-USGDIRTKSA-N 503.649 4.593 0 40 KJAB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C[C@H]1C[C@H]3OC(C)=O 253617362 VKXXPYARELKQOY-HZIXHHNOSA-N 506.680 4.679 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 260738308 ADVSTYJUDXQCAO-RUZDIDTESA-N 547.721 4.975 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c(C)c1 260782219 JNZAALLEGWXAKC-OAQYLSRUSA-N 534.122 4.589 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)cc1 260821896 WRNXJYUCGVISLD-LJQANCHMSA-N 554.540 4.934 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 260929957 HNCJRJTUIJVHJQ-CABCVRRESA-N 566.910 4.884 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 260936935 MXUJDNZYWTWSEV-WJOKGBTCSA-N 592.806 4.637 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 260964156 LOCBZMTWAQSWQW-SFTDATJTSA-N 522.111 4.527 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)N[C@H](C)CC)c2ccc(C)cc2)cc1 261026400 WQOCDMUUPMPRAT-FTJBHMTQSA-N 579.763 4.964 0 40 KJAB COc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 408578377 KZSIOGKEHHQTHK-QGZVFWFLSA-N 512.393 4.924 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1 408659008 VKASWXACDUDFCP-CWGXUGAXSA-N 563.031 4.892 0 40 KJAB CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408677234 DVSMANJOVBTGFK-RGTJVVRQSA-N 587.470 4.774 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC)c(Cl)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 408832578 USXRPOABXOZHQW-ZPVURNRZSA-N 575.086 4.996 0 40 KJAB CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n21 409018247 TZUXLZZWTLKOAH-CSJROMOCSA-N 609.100 4.746 0 40 KJAB CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(F)cc4)cc3)c(=O)n21 409019938 YFXCPEXGVLAZMU-XGLKJEJJSA-N 632.710 4.550 0 40 KJAB COc1cc(/C=C2/C(=O)N(C)C(=S)N2C)cc(Br)c1OCc1ccc(Br)cc1 409050303 UEMOWRWYRGCFBE-SXGWCWSVSA-N 526.250 4.829 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 409109579 HOYWIUOCQLMFJF-UHFFFAOYSA-N 587.698 4.819 0 40 KJAB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1OCC(=O)N1CCCC1 409161713 AMFJZRKXMUELCZ-SVXDAGRPSA-N 643.165 4.537 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)cc(Br)c1O 409176889 ABTLIPQVIUKQHC-WOJGMQOQSA-N 505.390 4.791 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc(Br)c1OCC 409206666 ZSZXILMVYSWOSB-RGVLZGJSSA-N 563.426 4.693 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(I)cc3)cc2)cc1C 409367145 HBJZYNZIBKTDSG-UHFFFAOYSA-N 536.391 4.726 0 40 KJAB O=C(COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1Cl)Nc1ccccc1 409380002 FOLIBDDJIGTLRC-MYYYXRDXSA-N 562.047 4.979 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OCc4ccccc4)cc3)S(C)(=O)=O)cc2)cc1 409409069 MMTHZUROZCWGBP-UHFFFAOYSA-N 579.700 4.780 0 40 KJAB O=C1CCCN1CCCOc1ccc(CN(CCO)C[C@@H](O)CN2c3ccccc3Sc3ccccc32)cc1 585271249 VIHQRTMZQIPPBE-RUZDIDTESA-N 547.721 4.536 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cc4ccccc4[nH]3)CCO2)C1=O 643556745 PNAJUNPWFDHZSQ-PMERELPUSA-N 503.643 4.813 0 40 KJAB COc1ccc(-n2c(SCC(=O)N3CCCCOC[C@H](O)[C@H](O)[C@@H](OC)CN(C(C)=O)C[C@H](C(C)C)[C@H]3c3cccc(OC)c3)nnc2-c2cccnc2)cc1 643913467 YXUKMCRBVAEVLT-GWPDCMAISA-N 790.984 4.676 0 40 KJAB Cc1ccccc1CCN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)[C@@H](C(=O)NC1CCCC1)c1cccs1 887313 OCAKDBVISAYXRR-HHHXNRCGSA-N 546.672 4.721 0 40 KJAB CC1(C)Oc2ccc(C(=O)N(CCc3ccccc3)Cc3ccccc3)cc2N(CC(=O)N2CCCC2)C1=O 1355478 QJUGHEMZWFJAQC-UHFFFAOYSA-N 525.649 4.698 0 40 KJAB O=S(=O)(NCCc1c[nH]c2ccccc12)c1cccc2c(S(=O)(=O)NCCc3c[nH]c4ccccc34)cccc12 1456862 KYNQFULRWUKQOA-UHFFFAOYSA-N 572.712 4.844 0 40 KJAB Cc1cccc(-c2nnc(SCC(=O)Nc3c(Br)cc(Br)cc3Br)n2N)c1 1872792 OTKOPTZOOSFDDQ-UHFFFAOYSA-N 576.112 4.986 0 40 KJAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 3331894 XFAIACADKKVTRN-HXUWFJFHSA-N 502.423 4.701 0 40 KJAB O=C(O[C@@H]1CO[C@@H](n2c(=O)oc3ccc(F)cc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 5004226 VZEOQFDSDGKTHM-CXDXLJMYSA-N 597.551 4.939 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 6545203 SNQMSCAVYZRKAF-LMSRTUJASA-N 607.482 4.746 0 40 KJAB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1 9348174 BJCWPAGBQNKERY-VIJSPRBVSA-N 506.558 4.627 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)c(F)c2)cc1 12713905 OYOWEVVADQQRLO-MHZLTWQESA-N 517.605 4.967 0 40 KJAB CC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 13494877 JPTFFYUOVCCBHV-DEOSSOPVSA-N 500.603 4.820 0 40 KJAB CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O 13499368 UZDUCEIUGLBESB-DEOSSOPVSA-N 532.645 4.941 0 40 KJAB O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(-c3ccc(-c4cccc(Cl)c4)o3)n(C[C@@H]3CCCO3)c12 13526372 PONUXKGEODUMHP-FQEVSTJZSA-N 502.958 4.694 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2ccnc2C)c2cc(Cl)ccc2C)cc1 22431848 DSZWNTKPAXBRAK-UHFFFAOYSA-N 523.058 4.963 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 22522344 FRTBFEHHJLFEND-QGZVFWFLSA-N 516.641 4.941 0 40 KJAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@@H](CCSC)NC(=O)c1ccc(OC)cc1 33668449 YDDZSZNZDQSLKA-OAQYLSRUSA-N 513.689 4.570 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)c2cc(C)cc(C)c2)cc1OC 38771731 WJELGGNQSLOUDC-LJQANCHMSA-N 500.592 4.532 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3sc(C(=O)OC)cc3c2)Cc2ccccc2)cc1 59836647 KUORSVGJFUIIGK-UHFFFAOYSA-N 538.647 4.916 0 40 KJAB Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccsc3)=NN2C(=O)CN2CCOCC2)cc1 69375135 YPZVCFHDRUDPLT-MHZLTWQESA-N 511.651 4.919 0 40 KJAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccc(F)cc1 70704397 MVTBSMKATUIRGG-PSHDZPGLSA-N 538.623 4.624 0 40 KJAB biogenic COc1ccc(CCNC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@H]4[C@H](C[C@H](O)[C@@]32C)[C@@]2(C)CC[C@@H](O)C[C@H]2C[C@H]4O)cc1OC 72325499 JSGZJXLWEWLRFB-ZNOCMMPTSA-N 571.799 4.740 0 40 KJAB biogenic COc1cc(CNCCNCc2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)ccc1OCC(=O)Nc1ccccc1 97966061 DPZARBQNAGUGMZ-UHFFFAOYSA-N 598.700 4.618 0 40 KJAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccc(S(N)(=O)=O)cc2)cc1Br 100072643 AJDYEVYKHHXATM-RWEWTDSWSA-N 530.469 4.916 0 40 KJAB CC[C@@H](Sc1nc2cc(OC)c(OC)cc2c2nc(CCn3nc(C)cc3C)nn12)C(=O)NCc1ccc(C)cc1 101308146 JCXHGNWRPGAEPW-AREMUKBSSA-N 573.723 4.846 0 40 KJAB O=C(OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1ccccc1Nc1ccc(SC(F)F)cc1 102901067 BWRHOMYNHPFBSY-LJQANCHMSA-N 538.638 4.860 0 40 KJAB O=C(COC(=O)c1ccccc1OCc1ccccc1Cl)Nc1cc2[nH]c(=O)[nH]c2cc1Br 102908001 JTNYPABPYAYBFL-UHFFFAOYSA-N 530.762 4.647 0 40 KJAB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)ccc1C 103027202 BWIXMIZZPHNEMG-UHFFFAOYSA-N 571.721 4.646 0 40 KJAB CC(C)(C)c1ccccc1NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl 103089714 HERAQKOWOZYXTR-UHFFFAOYSA-N 570.111 4.944 0 40 KJAB O=C(COC(=O)CSc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1)NC(=O)NC1CCCCC1 103130159 IAMVFGYAXPWLMB-UHFFFAOYSA-N 596.760 4.963 0 40 KJAB CCOC(=O)Cn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)c2ccccc21 103789124 NZIFZDKSDMFMDL-DNQIBQKISA-N 618.033 4.512 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cccc(OC)c3OC(C)C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 103789179 FTLPSERCQAUKNY-CNSVBDKNSA-N 581.012 4.790 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3O)c(=O)n2[C@@H]1c1ccccc1OC(C)C 150421136 JXDWWERUXLKCHK-VMOHIOPYSA-N 636.362 4.816 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4ccc5ccccc5c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 150524368 XBMWURCFGZTHDU-YRDQNKFLSA-N 679.751 4.605 0 40 KJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 215957154 MOJILPLROBYQSX-UHFFFAOYSA-N 541.695 4.672 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC)S(=O)(=O)c2ccc(Br)cc2)cc1 222373970 CHEKLRPHEBDVJM-NRFANRHFSA-N 602.551 4.515 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 222461200 PZOBSWZBFUATNH-RNWIMVQKSA-N 581.735 4.976 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 222497598 DTUYDOGWWKKDAJ-DEOSSOPVSA-N 522.111 4.527 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 222508743 NDYFKYDWEGLEAT-NEKDWFFYSA-N 611.761 4.630 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 222546480 DJIMFLGMDXYHRT-QFIPXVFZSA-N 542.101 4.624 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 222577673 KHMCPCIVSPWBEX-FYBSXPHGSA-N 579.763 4.964 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 222634680 LXARHTXDOKFMSA-MHZLTWQESA-N 600.579 4.690 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 222670718 ZAHPJQKUOPUBFF-RUZDIDTESA-N 651.421 4.672 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 222766197 JXQMLIBFNMOHRW-QHCPKHFHSA-N 641.787 4.557 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)Nc1ccc(CC(=O)N2CCCC2)cc1 222839509 CQZNZDZBDKUIRX-UHFFFAOYSA-N 562.475 4.977 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 222856298 JXTXDTBXQWBEFU-FQEVSTJZSA-N 522.111 4.527 0 40 KJAB COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)COc2ccccc2Cl)cc1OC 222880057 AHKASNVWRCQEHA-IBGZPJMESA-N 529.008 4.651 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 222966152 CQSJBRJGKXGDNO-FQEVSTJZSA-N 546.064 4.536 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 222969720 NAOIOVMJMBZKTD-QFIPXVFZSA-N 572.127 4.878 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 222975710 IRASADPCKYNMQX-GOSISDBHSA-N 542.529 4.872 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223016847 GWEFIDXFSZFBTC-RUZDIDTESA-N 595.762 4.850 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 223039208 YBTSTCQDSWHLAT-LJQANCHMSA-N 592.943 4.851 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 223594765 LNVHVXVIUURVQP-UHFFFAOYSA-N 507.439 4.865 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 223645775 BVWOAYPXNMXRDE-VWLOTQADSA-N 515.720 4.608 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 223906458 AMWPJWPOEFISPD-NRFANRHFSA-N 602.551 4.951 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 223952424 SHBXVPZOEJGJTA-INIZCTEOSA-N 560.931 4.889 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 224003325 LHRRRRKIBLFEMY-FYBSXPHGSA-N 579.763 4.796 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224362612 ZSXKSPQDTQWYAS-AREMUKBSSA-N 560.091 4.926 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2cccc(OC)c2)[C@@H](CC)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 224561670 WUFYOEDOGOSONM-NDEPHWFRSA-N 573.756 4.506 0 40 KJAB CCCSc1nnc(NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)s1 224717103 NAFKQSNVHGQZRN-UHFFFAOYSA-N 520.746 4.913 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 224762060 YCKAFVNFWQROAJ-SSEXGKCCSA-N 557.716 4.625 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224770504 XQAMRCPYAJZPBB-XMMPIXPASA-N 573.653 4.970 0 40 KJAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 224825669 DMWSRNPEHGJBTE-UHFFFAOYSA-N 509.647 4.708 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 224957546 VUUVPHOFCJDLIS-MUUNZHRXSA-N 579.763 4.821 0 40 KJAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 225043161 KTRQYNQIYQSHSU-JOCHJYFZSA-N 542.101 4.521 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 225135707 NRHIVLRBJPOGOI-MUUNZHRXSA-N 535.710 4.832 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 225137673 CKZCVPQVWFZGSG-HHHXNRCGSA-N 539.673 4.663 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 225142826 IQOYEKWKGTYGCS-JOCHJYFZSA-N 572.127 4.878 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 225148398 JGNKRPORLAWQSD-HHHXNRCGSA-N 565.736 4.841 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 225209990 UMTDHBZPGDHWAH-AREMUKBSSA-N 602.153 4.886 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225285737 VCTIDLSBFKKXHN-HHHXNRCGSA-N 556.128 4.517 0 40 KJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)cc1NC(C)=O 225330165 KNAMMNRQABATLN-IZZNHLLZSA-N 572.599 4.882 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 225389835 LPIVANLNBOHJPA-DNQXCXABSA-N 611.761 4.548 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225559223 IZIBCICWCHZPHL-VJGNERBWSA-N 594.550 4.647 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 225587500 NIDYBWDBCNIXTB-NDEPHWFRSA-N 570.155 4.889 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 225609181 NUSQBQYXYZKUNF-SQJMNOBHSA-N 536.138 4.917 0 40 KJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 225690825 OSCYTLFXDVHCJC-MRXNPFEDSA-N 527.455 4.986 0 40 KJAB COC(=O)c1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccccc1C 225696996 HRAOYKIVHZWZOB-IZLXSDGUSA-N 539.661 4.969 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 225704750 MGGKOTZQZMRLMP-MHZLTWQESA-N 581.735 4.540 0 40 KJAB O=C(NCc1ccccc1)[C@@H]1CN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)c2ccccc2O1 226007039 ZVHYTWVYLWYDTF-NDEPHWFRSA-N 626.573 4.883 0 40 KJAB COc1cccc(N(C)C(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1 226023972 TVLMFXIFKBBFLD-UHFFFAOYSA-N 511.402 4.995 0 40 KJAB O=C(COc1ccccc1)Nc1cc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)COc2ccccc2)ccn1 257202481 AMBFRPGRPGTRKB-VWLOTQADSA-N 511.582 4.622 0 40 KJAB CCCc1nc(N2CCC(Cc3ccccc3)CC2)ncc1C(=O)NS(=O)(=O)c1ccc(Cl)cc1 257211434 BYVHMODRTOMKSA-UHFFFAOYSA-N 513.063 4.660 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)[C@H](C)C(=O)NC1CCCC1 260785153 LLXHJYYFVXXHFU-GOSISDBHSA-N 540.513 4.544 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1C 260787248 MEALNFIGQACMAO-JOCHJYFZSA-N 548.149 4.979 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC(C)(C)C)c2ccc(Cl)cc2)cc1 260792267 NWTUJADBXSNSMP-OAQYLSRUSA-N 602.153 4.885 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)[C@H](C)C(=O)NC(C)(C)C)c1 260813283 VJIDJKWGWJQKAK-OAQYLSRUSA-N 632.179 4.893 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 260907748 WYLZJCXWKHTEMJ-MUUNZHRXSA-N 570.155 4.888 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 260943935 JAEWVGUBXQUHIH-PKTZIBPZSA-N 567.708 4.586 0 40 KJAB COc1cccc(CN(C(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 260994506 OGCXUVMPNMSBHK-MUUNZHRXSA-N 579.763 4.633 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccc(OC)cc2)[C@H](CC)C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 261001314 RSSUWRVZWNZJQR-WXVAWEFUSA-N 545.746 4.526 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 261005540 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MOILLZABARHDQF-UHFFFAOYSA-N 525.827 4.749 0 40 KJAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 60061108 ZQTZRYWVRHNENC-UHFFFAOYSA-N 528.439 4.726 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2Cc2cc(F)c(F)c(F)c2F)cc1 98000186 ZMMQBGOPAPSZHI-OAQYLSRUSA-N 573.568 4.946 0 40 KJAB CC/C(=C(\CC)c1ccc(Oc2nc(N3CC3)nc(N3CC3)n2)cc1)c1ccc(Oc2nc(N3CC3)nc(N3CC3)n2)cc1 100266915 ZNFGRIJDBIWCPD-QPLCGJKRSA-N 590.692 4.652 0 40 KJAB CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccccc1OC)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 100389402 KCGJPWASBJWMNR-SANMLTNESA-N 570.625 4.983 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(OC(F)F)cc3)c2=O)=N1 100870473 ZHWLNRNDTKCSAT-WLGHQHAYSA-N 535.547 4.614 0 40 KJAB CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1 104665665 QUBNLZCADIYAFW-IQLUPVJSSA-N 604.825 4.669 0 40 KJAB biogenic,in-vitro 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CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C(F)(F)F)c2)c2ccc(C)cc2)cc1 223206997 ZQJJANJVBLEUGV-UHFFFAOYSA-N 506.546 4.924 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 223302102 BARRSQWERFOWMV-MRXNPFEDSA-N 578.946 4.755 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223372131 MYTSBVVOMHKDEE-LJQANCHMSA-N 600.565 4.644 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(OCC)cc1)S(C)(=O)=O 223494006 OWBPYGCJKHGSLS-GDLZYMKVSA-N 583.726 4.547 0 40 KJAB COc1ccc(CCNC(=O)[C@H](c2ccccc2)N(Cc2ccc(OC)cc2)C(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 223511495 UZXSGCHZDWCKMH-UMSFTDKQSA-N 629.779 4.594 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223606939 DHHIRMCNTDHMDC-AREMUKBSSA-N 576.546 4.844 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224264637 XCIACVOYLMQFLZ-LJAQVGFWSA-N 623.747 4.967 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224291379 INOLVOWGWVFSJO-RUZDIDTESA-N 648.178 4.513 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 224384192 DHBCKIXQRATFDV-OAQYLSRUSA-N 558.503 4.765 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 224581515 SVOZGRYBWGEGDE-XMMPIXPASA-N 604.091 5.000 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(I)cc1 224697821 QATUQOUMZXDLKI-OAQYLSRUSA-N 542.845 4.903 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2CN2CCCCC2)c2cc(C)cc(C)c2)cc1OC 224816596 WPDNLLKOPDYXIR-UHFFFAOYSA-N 565.736 4.818 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 224821840 QHCJDQZLHYXGOM-QFIPXVFZSA-N 602.153 4.804 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224934845 BVXSBIOOEMBZMR-DEOSSOPVSA-N 623.772 4.774 0 40 KJAB COc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 224964782 DJMCSOROZGDIBR-NDEPHWFRSA-N 504.602 4.912 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1nnc(SCc2ccccc2)s1 225043630 QLEONEKPLHFOCQ-UHFFFAOYSA-N 532.713 4.585 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 225047807 HUKRJOMXNPZIKY-XMMPIXPASA-N 564.148 4.679 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 225140911 RCMYLLONEWMVSL-FCHUYYIVSA-N 572.127 4.876 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(OC)cc2)cc1 225223018 YVIYMQZXDSMUBE-SVBPBHIXSA-N 513.623 4.643 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225391721 JXNHHXTWZLVAEE-WEWMWRJBSA-N 550.099 4.538 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 225394569 GKWKSHSXJRIQIZ-DHIUTWEWSA-N 567.708 4.586 0 40 KJAB 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CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 225623743 REVZISMTNQNLEY-XMSQKQJNSA-N 542.529 4.790 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 225643211 OQDMAQHVAJFHNR-MUUNZHRXSA-N 586.154 4.671 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 225721262 TZTNHFZDIBTCME-HXUWFJFHSA-N 580.589 4.702 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)Cc2ccc(Cl)cc2Cl)cc1 226028474 CAJZPJRQZZUKMD-UHFFFAOYSA-N 584.547 4.690 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 260751050 PLAMCHSOYHIACU-HSZRJFAPSA-N 569.699 4.588 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc(Cc4ccncc4)cc3)Oc3ccc(Cl)cc32)cc1 260848769 PUPQPRPFGJKCEF-HHHXNRCGSA-N 550.036 4.929 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C 260887686 KECXVWLBVPFKIV-QGZVFWFLSA-N 562.947 4.911 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 260965633 LQGYLJHHHIQFIK-HSZRJFAPSA-N 551.709 4.531 0 40 KJAB CC(=O)c1cccc(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)c1 260982587 LMPSXEDYAHBFLN-WJOKGBTCSA-N 589.758 4.663 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 261035209 JXFGEVAHBWCNRW-YADHBBJMSA-N 572.127 4.876 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 261055794 MTUASOVQUOWNMC-IRPSRAIASA-N 549.737 4.624 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 261123379 ZREFRQNHADRGOU-PKTZIBPZSA-N 539.673 4.661 0 40 KJAB O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)Nc1ccc(Br)cc1F 408527908 FXWMJUJVVJZVFU-UHFFFAOYSA-N 519.392 4.747 0 40 KJAB CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 408551019 GSXYVGPFSSKVHQ-UHFFFAOYSA-N 522.501 4.700 0 40 KJAB COc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCc4ccc(C(C)C)cc4)CC3=O)cc2)cc1 408579798 PCDOMLBKPQCZEC-QHCPKHFHSA-N 515.610 4.505 0 40 KJAB COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1Cl 408594936 PYGQUIZDTOWTKQ-HXUWFJFHSA-N 523.836 4.639 0 40 KJAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 408621390 OABVBWVHTGBNRD-UHFFFAOYSA-N 545.627 4.596 0 40 KJAB Cc1ccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408662350 RIHCMHPNSRMYKK-YNVFUZDBSA-N 548.422 4.703 0 40 KJAB Cc1cc(Br)ccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(C(=O)OCC(C)C)cc1 408668420 SXJDIPQOJUCQBK-UHFFFAOYSA-N 533.419 4.861 0 40 KJAB COc1ccccc1NC(=O)COC(=O)CCCCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408682956 LVVPCODOZXPNII-NPYONTDKSA-N 552.627 4.630 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)CC1 408714758 WKQCTBFYWFKHMT-LJQANCHMSA-N 544.932 4.846 0 40 KJAB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C2=C(N=3)c3ccccc3CC2)o1 408764909 AKWIMGXDJGJSKL-JQTKYWOZSA-N 541.673 4.775 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccccc3F)c(=O)n2[C@H]1c1ccc(C)cc1 408824787 HRXIEOZENFBUHB-ASZNLBCTSA-N 572.658 4.833 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc(F)c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408825268 RTIBWCVSBKDTSL-HRIDGTDGSA-N 572.658 4.833 0 40 KJAB COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)c(N5CCCCC5)o4)c(=O)n32)cc1 408860089 RUBITVNVABDSKP-WLGHQHAYSA-N 600.535 4.541 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cccs2)n2c(s/c(=C/c3cc(Br)c(I)o3)c2=O)=N1 408861377 REFKKPPPUJTWIX-IUYQLWOBSA-N 633.327 4.600 0 40 KJAB CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1Br 408916157 VIIBNMPLMJEFIH-ZIPXEUHISA-N 653.576 4.702 0 40 KJAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 408921103 SGIUCWNFLQIEKC-UHFFFAOYSA-N 556.065 4.975 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5ccc(C(=O)OC)c(Cl)c5)o4)c(=O)n32)cc1OCC 408955502 YFGGKYXQYKAYMZ-YXXAWSHNSA-N 623.083 4.516 0 40 KJAB COc1ccc([C@@H]2NC(SCC(=O)Nc3ccccc3)=NC(C)=C2C(=O)Nc2ccccc2)c(OC)c1 408980736 WZHCTMNQGRRBBN-SANMLTNESA-N 516.623 4.989 0 40 KJAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)C1=O 409010908 GFOGWEGPRKEWKE-MDBUFAAASA-N 534.384 4.714 0 40 KJAB COc1ccc(OC)c(N(CC(=O)NCCSCc2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c1 409028444 MNHNKYOTZQZWEI-UHFFFAOYSA-N 528.696 4.566 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409106794 UJMODPDZFSIODL-UQDCTOEPSA-N 636.126 4.732 0 40 KJAB Cc1ccc(C(=O)CN2C(=O)S/C(=C\c3cn(CC(=O)N4CCCCC4)c4ccccc34)C2=O)cc1 409126659 MEDJOGNCYNQUBU-MYYYXRDXSA-N 501.608 4.881 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 409131557 JJWURFCTCAREFW-UHFFFAOYSA-N 544.073 4.877 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3ccc(OC(F)F)cc3)c2=O)=N1 409173183 HGLLSIOAEASOSV-FJWZAKCXSA-N 607.473 4.951 0 40 KJAB CCOc1ccc(NC(=O)COc2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)cc2OCC)cc1 409256018 NKHDIYDNJIUZBN-UHFFFAOYSA-N 533.694 4.995 0 40 KJAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)c1 409257282 PTAQCIDQUPTDKP-UHFFFAOYSA-N 523.394 4.623 0 40 KJAB CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc(I)cc1 409351397 WBURGHHHZPDQPM-UHFFFAOYSA-N 590.274 4.870 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 409354456 FSYWZSUWLLBJIL-CYBMUJFWSA-N 508.431 4.835 0 40 KJAB CC(C)C[C@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)c2ccccc2Cl)CC(=O)N1 643557044 UPKWRVJUXRZEBQ-IBGZPJMESA-N 520.457 4.569 0 40 KJAB O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCC2(CCCCOC[C@@H]3CCCN3C(=O)c3cccc(c3)OC2)CC1 643562795 QIISICAJLCCFAJ-SANMLTNESA-N 543.668 4.578 0 40 KJAB C[C@H](COc1ccc(F)cc1Oc1ccccc1)NC(=O)[C@@H]1CCC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1 643580126 KYBRHVIBQMFWQO-WHODAWOQSA-N 696.776 4.659 0 40 KJAB CCN(CC)[C@@H](CNC(=O)c1ccc2c(c1)CNCCCCCCCN2C(=O)COC)c1ccc(C)cc1 643585102 ZREYTFADNLCRIF-LJAQVGFWSA-N 522.734 4.841 0 40 KJAB COc1ccc(NC(=O)C(C(=O)Nc2ccc(OC)c(OC)c2)=C2NC(C)(C)Cc3ccccc32)cc1OC 816634 PAMRCGIBSLCOOR-UHFFFAOYSA-N 531.609 4.634 0 40 KJAB biogenic O=C(O)c1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3)ccc2Br)c1 888060 UNWSRIDEERBMIE-UHFFFAOYSA-N 554.216 4.963 0 40 KJAB COc1ccc(CCN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)Cc2nnnn2C2CCCCC2)cc1OC 926551 KCAKBSSCECYQSN-UHFFFAOYSA-N 530.673 4.899 0 40 KJAB Cc1cccc(NS(=O)(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)c3cccc4c3c2NC4=O)c1 944113 AVPWPRKDGMSVDH-UHFFFAOYSA-N 507.593 4.624 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C\c3ccc4c(c3)OCCO4)c2=O)=N1 2149306 AOTDVWQPSCFEPR-JQTKYWOZSA-N 570.667 4.512 0 40 KJAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)sc(C(N)=O)c1C 2737709 DZMJRDYJETWDPX-UHFFFAOYSA-N 519.579 4.817 0 40 KJAB CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccccc3OC)C(=O)N12)C(=O)Nc1cccc(C)c1 2968562 IXAMKZUWVUZKBW-AZGAKELHSA-N 569.687 4.819 0 40 KJAB O=C(NCCc1ccccc1Cl)c1ccc(Cn2c(=S)[nH]c3ccc(N4CCOCC4)cc3c2=O)cc1 2976107 WHMPCORVKJZYNB-UHFFFAOYSA-N 535.069 4.570 0 40 KJAB Cc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nnc1-c1cccnc1 3253661 PTYRUNGZIUQORT-FQEVSTJZSA-N 525.638 4.555 0 40 KJAB C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(NC(=O)c3c(F)cccc3F)nc1[C@H]2CC(=O)NC1CCCC1 4222393 MROGMLLBTPOSJU-VKYPPKJQSA-N 547.668 4.538 0 40 KJAB biogenic,in-vitro CCOC(=O)[C@]12C(=O)Oc3ccc(Br)cc3[C@H]1[C@@]2(C)C(=O)c1ccc(Br)cc1 8869837 DGPVGDSSBVTFIC-NDXORKPFSA-N 508.162 4.667 0 40 KJAB O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)cc1 9203465 JTGWDAJVYKWFFD-UHFFFAOYSA-N 520.623 4.577 0 40 KJAB CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2c1CC[C@H](C)C2 9599743 RZYUMBVVNNRZFI-KRWDZBQOSA-N 523.680 4.626 0 40 KJAB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4cc(Br)cc(C)c4OC)c3)nn12 10010248 PERIUYMXZIIINT-UHFFFAOYSA-N 502.394 4.756 0 40 KJAB COC(=O)c1cccc(NC(=O)c2ccc(N(Cc3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)c1 10323921 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504.999 4.809 0 40 KJAB COc1ccc(N(C(=O)COc2ccccc2)[C@@H]2[C@@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 8439674 AFVCASQPZNYTFH-IHLOFXLRSA-N 524.573 4.936 0 40 KJAB COc1ccc(NC(=O)C(C)(C)N(Cc2ccccc2F)C(=O)CN2C[C@H](c3ccccc3)NC2=S)c(OC)c1 8713788 HPSBZMBYKCPNFU-RUZDIDTESA-N 564.683 4.520 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(SCc4ccccc4)nn32)cc1OC 9781154 JKBMMXMISPAPHS-XMMPIXPASA-N 514.611 4.910 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(C)c(Cl)c1 10299814 BTIXKAGPNZCWMV-UHFFFAOYSA-N 502.976 4.528 0 40 KJAB COc1cccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccccc2Cl)C(=O)Cn2nnc3ccccc32)c1 12714188 CGOVDLRCECECCI-AREMUKBSSA-N 520.033 4.778 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(Cc1cccc(OC)c1)C(=O)Cn1nnc2ccccc21 13024205 AJFKGYZSHLRGHU-HHHXNRCGSA-N 517.605 4.654 0 40 KJAB CCOc1cccc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)c1 13670070 JNFVXYGWNUFPLR-UHFFFAOYSA-N 503.418 4.990 0 40 KJAB CN(C)[C@H](CNC(=O)c1cc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)ccc1Cl)c1ccccc1 14361132 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COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1OC 59924869 PTHFSNKOXQURTO-UHFFFAOYSA-N 537.457 4.998 0 40 KJAB CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(Cc3ccccc3OC)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 70697193 SVVAMSAIYJNAJN-UDNBHOFDSA-N 539.632 4.816 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccs3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 97947543 OETQFGLHKHPVLV-LRUGRNCASA-N 612.733 4.730 0 40 KJAB CCOc1cc(/C=C/C(=O)O[C@H](C)C(=O)NCc2ccc(OC)cc2)ccc1OCCOc1ccc(F)cc1 97980082 KIBBPYFMTBZQEY-ZXSWEOGUSA-N 537.584 4.952 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)cc1 100110012 AYKXAZJNDDXPMI-UHFFFAOYSA-N 533.572 4.542 0 40 KJAB NC(=O)c1nsc(C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c1N 100290004 QWLVACKYSJSRAM-LJQANCHMSA-N 551.616 4.742 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1OC)N(Cc1cccc(OC)c1)C(=O)Cn1nnc2ccccc21 100355942 UUSWWKVKLZMZJT-LJAQVGFWSA-N 559.667 4.532 0 40 KJAB 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CCOC(=O)C1(c2ccc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3C)cc2)CC1 222764421 MDPMJOAGBOSGKP-UHFFFAOYSA-N 522.623 4.716 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC)S(C)(=O)=O)cc1 222806973 HLIJIUGNNDSGHM-SANMLTNESA-N 592.545 4.544 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 223157646 RXSFWSQUVPJOKK-PMERELPUSA-N 607.679 4.921 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 223307431 WTPKGKKEAJXMSE-KCWPFWIISA-N 500.639 4.945 0 40 KJAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)c(OC)c1 223529379 WPKCTXVWIYWECM-LJAQVGFWSA-N 504.627 4.941 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 223617066 NTSMNJAHKUQNON-JIPXPUAJSA-N 574.118 4.800 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223837237 HZGWTVVPODKRHC-LJQANCHMSA-N 548.492 4.742 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 223948968 GSFJMAIATZLBEK-NDEPHWFRSA-N 565.736 4.923 0 40 KJAB CC[C@@H](NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(C)c1 224212827 XOYIHVFFYVCTEP-XMMPIXPASA-N 526.655 4.792 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 224311406 JFMHTDULZGTPLJ-VWLOTQADSA-N 552.112 4.892 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 224341722 FJTUKEQHQNDBQM-HSZRJFAPSA-N 570.539 4.634 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 224362835 ZJIFGAWMHHSGGQ-INIZCTEOSA-N 593.371 4.711 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 224465554 HKCOCBJSSOKBIU-DEOSSOPVSA-N 570.539 4.634 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224533561 VDJISNGOBXMHMF-MUUNZHRXSA-N 595.762 4.787 0 40 KJAB COc1cc2c(cc1OC)N(Cc1ccccc1F)S(=O)(=O)C(C(=O)NCCOc1ccccc1Cl)=C2C 224593452 SXWWSHOVSHEJPZ-UHFFFAOYSA-N 561.031 4.773 0 40 KJAB Cc1cccc(C)c1N(Cc1ccc(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1)S(C)(=O)=O 224615382 UNWLKVMZSZWSFU-UHFFFAOYSA-N 525.030 4.903 0 40 KJAB Cc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 224653058 CIMKWZKGFPWTQP-SFHVURJKSA-N 540.513 4.544 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 224726318 KMGMFKOPOAADED-RUZDIDTESA-N 550.165 4.983 0 40 KJAB Cc1cccc(N(CC(=O)NCc2ccccc2CN2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 224772733 RZWOISFGYFDOSO-UHFFFAOYSA-N 512.075 4.756 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3CN3CCCC3)Oc3ccc(C(C)(C)C)cc32)cc1 224789853 NYQGFOOKOBIMRQ-PMERELPUSA-N 577.747 4.861 0 40 KJAB COc1cccc(N(CCCC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1 224790378 NDCPOWMTCIKRPO-PMERELPUSA-N 579.763 4.715 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 224893343 ARKMCYPJEOKXMV-INIZCTEOSA-N 548.920 4.665 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 225077103 LJNWOQYXCWPUPZ-SANMLTNESA-N 527.731 4.634 0 40 KJAB CCn1c(=O)sc2cc(NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(C)cc3)ccc21 225081155 LCJVLJHBZOJBCJ-UHFFFAOYSA-N 516.044 4.879 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 225175874 CCYSKCCMUQCHRT-QFIPXVFZSA-N 562.054 4.767 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 225235660 UBQLRJQUCFOXNT-QFIPXVFZSA-N 616.578 4.987 0 40 KJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(=O)O)c2)cc1NC(C)=O 225326617 HUHLQHBBKWQJBV-CLJLJLNGSA-N 527.606 4.715 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1Br 225369564 QHEPHBYFPQWCLB-HOTGVXAUSA-N 511.844 4.822 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225444125 UAAGFEGGGSCDAC-WOJBJXKFSA-N 556.556 4.914 0 40 KJAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3cccnc3)c2C)ccc1NS(C)(=O)=O 225447039 NHJYWLIDIKXAGJ-SXOMAYOGSA-N 546.722 4.800 0 40 KJAB O=C(NCCSCc1c(Cl)cccc1Cl)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225532410 WTOYQQXQJQFEHC-HNNXBMFYSA-N 505.464 4.583 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 225549429 ZICDMDNSJBCPAA-NDEPHWFRSA-N 630.605 4.780 0 40 KJAB COC(=O)c1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccccc1C 225697051 HRAOYKIVHZWZOB-NSOVKSMOSA-N 539.661 4.969 0 40 KJAB C[C@@H]1CCCN(c2cc(Sc3ncccn3)nc(NC(=S)NCC3(c4ccc(F)cc4)CCOCC3)n2)C1 226001245 YDRFPSNDRIQGDE-LJQANCHMSA-N 553.733 4.828 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3[C@H]3C=Cc4ccccc4N23)cc1 248120348 DPIILNZNFWKIJH-RCTAOEEJSA-N 529.390 4.730 0 40 KJAB CC(C)c1nccn1CCC(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N(C)Cc2ccccc2)C1 257333689 YCQFBQAPEVGATO-IGKIAQTJSA-N 520.649 4.881 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260882391 CQCXOGXWGSFNSS-JOCHJYFZSA-N 561.720 4.637 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 260931583 HRHQADDTFAKBJE-MOPGFXCFSA-N 572.555 4.880 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 260945860 QNCHHOBLVBPFJV-OAQYLSRUSA-N 536.138 4.638 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc(I)cc1 260996552 OSOHFNRTNXABDR-MUUNZHRXSA-N 677.580 4.895 0 40 KJAB O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 408611343 TYEAYJQTXFYTJQ-UHFFFAOYSA-N 503.462 4.729 0 40 KJAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCSCc3c(Cl)cccc3Cl)CC2)cc1 408678834 IKYWMFZNFSDEHC-UHFFFAOYSA-N 515.528 4.893 0 40 KJAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCC(=O)Nc4cc(C)c(Br)cc4C)cc3)C(=O)[C@H]21 408685887 MERWGNTZZMLMAD-BFDANITOSA-N 537.410 4.563 0 40 KJAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@H](c6ccccc6)[C@@H](C5)[C@H]4C3=O)cc2)c1 408689504 SAKNXIKUIDLFLP-MQNOAXECSA-N 536.584 4.614 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408825668 DSRSOVBSSGTLLI-CIOMEYPDSA-N 518.944 4.659 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(O)c(Cl)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408834541 UOBZQVWJTSXMQO-FNUHDPNESA-N 547.460 4.598 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 408862323 YBJJUWFJMNFAIG-INJUALFYSA-N 692.510 4.695 0 40 KJAB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(Br)c(O)c(I)c4)c(=O)n32)cc1 408920366 IWYFWKABECWEKR-RZXXJPOTSA-N 685.403 4.981 0 40 KJAB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(O)c(I)c4)c(=O)n32)c1 408928029 UQNMPBMWHNQEEA-MFUBYVTQSA-N 702.368 4.955 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(OC)c(OC)c4)c(=O)n32)c(OC)c1 408978849 NPKONZXGJCLGNF-MFCBUNOESA-N 650.551 4.671 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2F)C2CCCCC2)cc1OC 409003467 HDWKVUAEYCXOIJ-UHFFFAOYSA-N 529.428 4.568 0 40 KJAB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1 409023408 VPQUESZQCBHICM-UHFFFAOYSA-N 517.582 4.590 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)c2ccccc2Cl)cc1 409024147 AEPYERSZDDABDM-UHFFFAOYSA-N 512.031 4.718 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)CC1 409063812 NJLNYABHOYMVLI-UHFFFAOYSA-N 576.944 4.951 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccc(C)cc2)c2cccc(Cl)c2)cc1 409173148 LAQRRBGXIBBMGP-UHFFFAOYSA-N 505.061 4.761 0 40 KJAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(F)cc1 409217442 UZZZVDAMMZVVBD-SRZZPIQSSA-N 527.911 4.737 0 40 KJAB CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccccc3Cl)C(C)C)n2C)c1 409348081 OZBOVVHKHZXPCN-JOCHJYFZSA-N 544.077 4.892 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl 409366203 ZFTDAWUTYOHEHM-CYBMUJFWSA-N 569.856 4.778 0 40 KJAB Cc1ccc(S(=O)(=O)NCC(=O)N2CCC3(CCCCc4ccccc4OCCN(CC(C)C)C3)CC2)cc1 643573716 KGSGVOUMZRHNHI-UHFFFAOYSA-N 555.785 4.646 0 40 KJAB COCCn1cc(-c2nc(-c3ccc(OC)cc3)c(-c3oc(C)cc(=O)c3O)[nH]2)c2cc(OC)ccc21 1547206321 HHKHRXZBMPISDR-UHFFFAOYSA-N 501.539 4.996 0 40 KJAB biogenic CCOc1ccccc1CN(Cc1ccco1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1 933336 DYUPCUTUSKFGDT-UHFFFAOYSA-N 532.684 4.680 0 40 KJAB CC[C@H](Sc1nc2ccccc2c2nc(CCc3c(C)n[nH]c3C)nn12)C(=O)NCc1ccc(C)cc1 2969655 XBNJNFWIOKFRRP-DEOSSOPVSA-N 513.671 4.898 0 40 KJAB CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc(Br)c4)c3)nn12 4125352 OJZIKLQYCDDGQM-UHFFFAOYSA-N 501.435 4.613 0 40 KJAB O=C(/N=c1\sn(-c2ccc(Cl)cc2)nc1C(=O)N1CCCC1)c1nnn(-c2ccc(F)cc2)c1-c1ccccc1 8770674 SLVRCJHUKVAXOD-QVTSOHHYSA-N 574.041 4.951 0 40 KJAB COc1cc(C(=S)N2CCN(c3ccc(F)cc3)CC2)ccc1OCC(=O)Nc1c(C)cccc1C 9187982 VAUNTSVHXXLMQJ-UHFFFAOYSA-N 507.631 4.966 0 40 KJAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 9272270 UISRIDZTXICOOT-UHFFFAOYSA-N 506.500 4.653 0 40 KJAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)c1 10444405 BGHPECWYMJGTNN-UHFFFAOYSA-N 517.003 4.668 0 40 KJAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1oc2ccccc2c1CSc1ncn[nH]1 12529322 SLDLLMBHXIYXLW-UHFFFAOYSA-N 523.615 4.730 0 40 KJAB COc1ccc(OC)c(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)c1 13026424 GBNOMJJDUXFAOF-AREMUKBSSA-N 508.571 4.761 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/C3=Cc4ccccc4O[C@@H]3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 16736702 WOOMFTLXPWETSK-PRANLXFZSA-N 514.647 4.738 0 40 KJAB C[C@H]1CCc2c(sc3nc(SCCN4C(=O)c5ccccc5C4=O)n(-c4ccccc4)c(=O)c23)C1 16756600 SWYPAZDTOHEQOX-INIZCTEOSA-N 501.633 4.960 0 40 KJAB O=C(NN1C(=O)[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C1=O)c1cccc(Br)c1 18037740 RXVFDTUMGMCGSZ-UEQSERJNSA-N 501.380 4.833 0 40 KJAB aggregator Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccccc4F)CC3)cc2c1 19940287 NEPKOAYUUPXQHT-HHHXNRCGSA-N 515.637 4.687 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2Cl)cc1 22532273 BMGXSHGOLXRTDU-VMPITWQZSA-N 510.059 4.920 0 40 KJAB CC[C@H](c1nnnn1C[C@H]1CCCO1)N(Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 33937058 WIFVBSAEACWIDT-SHQCIBLASA-N 500.647 4.772 0 40 KJAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)N(CCN(C(=O)[C@@H]1CCCC[C@H]1C(=O)O)c1ccccc1)c1ccccc1 36664990 KDCQIZLSYMBHQG-POYMRFPPSA-N 520.626 4.835 0 40 KJAB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)Nc1cc(C)cc(C)c1)c1ccccc1 59490178 BNAYZVIFYXXVRU-UHFFFAOYSA-N 503.418 4.909 0 40 KJAB COc1cc2c(cc1OC)CN(C(=O)CC[C@@H](C)[C@H]1CC[C@H]3[C@H]4[C@H](C[C@H](O)[C@@]31C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]4O)CC2 79188241 RQRLFZPEEKXZDR-BKSJSOHUSA-N 583.810 4.966 0 40 KJAB biogenic COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(CCc3ccccc3)C(=S)N2CCc2ccc(Cl)cc2)cc1 97951988 OPMPRVXDPUKFFB-VWLOTQADSA-N 550.080 4.738 0 40 KJAB Cc1c(CC(=O)N[C@@H](CSCc2ccccc2)C(=O)NCC(=O)O)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 97957110 RMXDFZIYNFTYOS-SANMLTNESA-N 584.650 4.676 0 40 KJAB COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCc2cccc(Cl)c2)c1 98049289 ORRUXCBVDNLABT-UHFFFAOYSA-N 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AVNRFSWXKUMDII-UHFFFAOYSA-N 512.635 4.685 0 40 KJAB CCc1ccc(OCC(=O)Nc2cc(-c3ccc(OC(C)C)c(C)c3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 41156066 VXZBTXPCLOZWPC-JOCHJYFZSA-N 511.644 4.585 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N(Cc3cccnc3)C[C@@H]3CCCO3)cc2c1 57608209 DJGWQHLDBNBWKI-LBNVMWSVSA-N 527.673 4.748 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1Cl 60018104 MOLRSRQICSVSLE-UHFFFAOYSA-N 547.029 4.676 0 40 KJAB CCOc1ccccc1C(=O)[C@@H]1[C@H]2CCCN2[C@@]2(C(=O)Nc3c2ccc(C)c3C)[C@]12C(=O)Nc1ccccc12 61954447 QEBRGKUXJSEWSI-ZUBGVVFXSA-N 521.617 4.717 0 40 KJAB CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2(C(=O)Nc3c(C)cc(C)cc32)[C@]12C(=O)Nc1ccccc12 61954553 SFJVDJKWVJXRMO-GYOFENNSSA-N 521.617 4.717 0 40 KJAB CC(C)(C)OC(=O)N1CCC(COc2ccnc(OCC3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1 72203542 KHFZHFGAKXPVOH-UHFFFAOYSA-N 506.644 4.528 0 40 KJAB CCc1cc2nc3c(c(CC)c2cc1OC(=O)N1CCC(N2CCCCC2)CC1)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC 77292361 IEKWXGPJFJGZSM-DHUJRADRSA-N 614.743 4.654 0 40 KJAB in-vitro COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 97982339 MIUFUMXRUYVJER-UHFFFAOYSA-N 582.748 4.757 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)c2cc(Cl)ccc2OC)cc1OC 100088286 ILKUMSKJHLELOP-KRWDZBQOSA-N 531.030 4.539 0 40 KJAB CCOC(=O)c1ccccc1NC(=O)c1sc(NC(=O)c2ccc(OC)c(OC)c2)c(C(=O)OCC)c1C 100100899 AGXVZIZEVJSTJB-UHFFFAOYSA-N 540.594 4.932 0 40 KJAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1ccc(I)cc1 100250553 LYDUPOGKHAKWJC-UHFFFAOYSA-N 585.261 4.883 0 40 KJAB O=C(NC[C@H]1CCCO1)[C@H](c1ccc(Cl)cc1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(F)c(Cl)c1 100290752 WCDGMAMSUIFXRM-GJZUVCINSA-N 601.441 4.995 0 40 KJAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1)c1ccc(-c2ccccc2)cc1 100664148 VXFFLTJFIBTXPK-YEPDLNCFSA-N 503.554 4.951 0 40 KJAB COc1cccc([C@@H]2C=C3c4cc(OC)c(OC)cc4CCN3C(N)=C2S(=O)(=O)c2cccc(Cl)c2)c1 101378012 GKNNJBWCFHREFR-QHCPKHFHSA-N 539.053 4.964 0 40 KJAB 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224806169 UOFSAOMAKQEFDY-MHZLTWQESA-N 647.579 4.530 0 40 KJAB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccccc1CN1CCCCC1 224808919 NNRRHPLZMDRHDS-UHFFFAOYSA-N 512.075 4.838 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224843398 QNRBMXVCJLJZJL-GOSISDBHSA-N 562.054 4.849 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 225017734 GKRYSDROGAWQDY-JWQCQUIFSA-N 535.710 4.831 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 225046493 DWFFMHNRXZDTQX-RUZDIDTESA-N 534.122 4.671 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 225226293 SXMATUGPTBEAAY-OAQYLSRUSA-N 566.562 4.637 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 225241716 CWKXTSPXLBUNKG-HXUWFJFHSA-N 566.562 4.672 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)ccc1OC 225302553 JYMOGZXQFOMAAK-SVBPBHIXSA-N 531.613 4.782 0 40 KJAB 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O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1 408645793 IIKXVILEPYBBET-VXKWHMMOSA-N 549.004 4.812 0 40 KJAB Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)ccc1Br 408669608 XIBDDIDOGCPUKT-UHFFFAOYSA-N 533.419 4.861 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(F)c4)cc3)c(=O)n2[C@H]1c1ccccc1OCC 408739316 VLEXRQSQHIFIDZ-HDFSHUSISA-N 572.658 4.915 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C(=O)OC)ccc4C)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408944930 WBBHJAFLIHXYNN-HRIDGTDGSA-N 600.693 4.941 0 40 KJAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4ccc(I)cc4)c(OC)c3)c2=O)=N1 409036190 ALNQLBOEXCQIIC-YNMQQHPQSA-N 666.537 4.991 0 40 KJAB CCOc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OCc1cccc2ccccc12 409054805 GQFBHYPQLMKMJC-YBFXNURJSA-N 514.319 4.602 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 409156209 RCQMHLDSMCXVBO-BDULMLGOSA-N 695.838 4.695 0 40 KJAB CCOC(=O)COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1OC 409194837 CSIBFTLGMNJAHM-OCKHKDLRSA-N 583.844 4.728 0 40 KJAB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)C1=O 409235387 OZDBNNIAAFSCGU-GZTJUZNOSA-N 541.183 4.935 0 40 KJAB COC(=O)[C@@H]1NC(c2ccc(F)cc2)(c2ccc(F)cc2)[C@H]2C(=O)N(C3CCC(C(C)(C)C)CC3)C(=O)[C@@H]21 409286680 ZGUBYCBZQQWVPF-YVLXOTMISA-N 524.608 4.559 0 40 KJAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2nc3ccccc3s2)n1C 409354660 ACXVJGQJFIZFQP-IBGZPJMESA-N 515.064 4.936 0 40 KJAB CCOc1cc([C@H]2CC(=O)N=C3N=CNN32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 409380292 BGOKRIFUHQEBLB-MRXNPFEDSA-N 512.191 4.910 0 40 KJAB CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c([C@@H]2COc3ccccc3O2)n1 604406085 ZYVFTVFIZKEGCD-NDVJBKNGSA-N 698.777 4.959 0 40 KJAB biogenic CCCCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)Cc3cccc(Cl)c3)CCO2)C1=O 643556158 JQTAHLNAYUOGPH-LJAQVGFWSA-N 513.078 4.914 0 40 KJAB COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(OC)c(OC)c(OC)c4)c3N2)c1 650848 ZBJCYSAYRUNMIF-YLJYHZDGSA-N 506.481 4.830 0 40 KJAB CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)cc1 906096 ZGFDVNILMDXDOS-WJOKGBTCSA-N 569.662 4.778 0 40 KJAB CCc1ccc(N(C(=O)c2snc(C(=O)NC3CCCCC3)c2N)[C@H](CC)C(=O)NC2CCCC2)cc1 906616 XXADEXBZSXZVCY-JOCHJYFZSA-N 525.719 4.834 0 40 KJAB Cc1ccc(C)c(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c1 921232 DQNABDSAMOJHCW-GDLZYMKVSA-N 511.626 4.977 0 40 KJAB COc1ccc(CCN(Cc2cc3cc(C)ccc3[nH]c2=O)Cc2nnnn2C2CCCCC2)cc1OC 925730 PGMDDTLYXRIRCB-UHFFFAOYSA-N 516.646 4.590 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccco1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 1375289 IOZXOPMXQWVFOE-MHZLTWQESA-N 512.614 4.935 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc(C)cc2)cc1 2684022 YOYPCGFYDUQEIA-UHFFFAOYSA-N 547.677 4.749 0 40 KJAB COC(=O)c1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnnn4Cc4ccccc4)cc3s2)cc1 8439048 FNMUVDRPMVTNSV-UHFFFAOYSA-N 605.727 4.579 0 40 KJAB O=C(Nc1cccc(Br)c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 10692354 BMYPYCVQCNILLN-UHFFFAOYSA-N 506.249 4.936 0 40 KJAB COC(=O)c1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)c1C 19856820 HUAREXCXOGPRDW-UHFFFAOYSA-N 520.529 4.943 0 40 KJAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)c2ccc(SC)cc2)cc1Cl 20006605 BATSDIJQNAGQQK-HXOBKFHXSA-N 519.088 4.838 0 40 KJAB COc1cc(C(=O)Nc2ccc(F)cc2F)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 22254052 VLDBTFQUKHVMLY-UHFFFAOYSA-N 510.946 4.854 0 40 KJAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 59852889 ZGPWZMGLYUOQOX-UHFFFAOYSA-N 562.530 4.646 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 59888128 PBRUYEYZCDHUDD-UHFFFAOYSA-N 625.725 4.656 0 40 KJAB O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 70704551 FGEMETYZWREDLH-LHHUKBANSA-N 554.650 4.682 0 40 KJAB biogenic Cc1cccc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2S(=O)(=O)c2ccc(Cl)cc2)c1 79112479 QBTCZBFRQRUDEJ-HSZRJFAPSA-N 504.033 4.560 0 40 KJAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(Br)s3)c2=O)=N1 97972296 ZEPNCOLCTASRBO-OUQXZNHLSA-N 537.888 4.664 0 40 KJAB CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc21 97990182 RXSSFNLMNUXROT-UHFFFAOYSA-N 529.968 4.594 0 40 KJAB COc1cc(N(C(=O)Cc2c[nH]c3ccccc23)[C@@H](C(=O)NC2CCCCC2)c2cccs2)ccc1-n1cnnn1 100333251 CUIGEYNBUVNLLL-GDLZYMKVSA-N 569.691 4.980 0 40 KJAB COC(=O)c1sc(NC(=O)CSc2nnc3n(Cc4c(F)cccc4Cl)c4ccccc4n23)nc1C 100449332 NHFRAEXWSIFZSR-UHFFFAOYSA-N 545.021 4.807 0 40 KJAB O=C(N[C@@H](CSCc1ccccc1)C(=O)O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1 100689175 MLRGIWPUPJDYPE-DWFNGTSHSA-N 539.451 4.723 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Cl)c(OC)c(OC)c4)c(=O)n32)cc1 101517762 PSWWGBBTWNGBRK-OCEWKHMESA-N 576.074 4.553 0 40 KJAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C)o2)n2c(s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c2=O)=N1 101610933 OWNSDQOMRXUETE-NULZLWRNSA-N 563.683 4.886 0 40 KJAB CCOc1ccc(NC(=O)Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3cc(Br)ccc32)cc1 102004139 DOSGEEHPTGVMOV-UHFFFAOYSA-N 528.790 4.606 0 40 KJAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Sc3ccc(Br)cc3)o2)[C@@H]2CCS(=O)(=O)C2)cc1 102436122 YNECKMIJBZXFIR-GOSISDBHSA-N 556.525 4.880 0 40 KJAB COc1cc(C([C@@H]2C(=O)c3ccccc3N(C)C2=O)[C@@H]2C(=O)c3ccccc3N(C)C2=O)cc(Cl)c1OC(F)F 102899158 UDBGYJCHJMZXNA-DHIUTWEWSA-N 568.960 4.985 0 40 KJAB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)CCN3C(=O)S/C(=C/c4cccc(C)c4)C3=O)cc2)cc1 103019508 FNLCZQLPBQKDMM-NLRVBDNBSA-N 593.683 4.811 0 40 KJAB COC(=O)c1cc(NC(=S)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(C(=O)OC)c1 105294540 ZOLLARKPPATDLG-UHFFFAOYSA-N 539.604 4.642 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 105823707 DLWVIHLTWQFACG-SUAMDDGLSA-N 534.678 4.718 0 40 KJAB O=C(CSc1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)Nc1c(F)cc(Br)cc1F 113626862 AHGQTSJNZNSLBY-IYBDPMFKSA-N 507.356 4.914 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)ccc2C)cc1 216329716 GGNLGHIWDGUGAG-UHFFFAOYSA-N 536.635 4.552 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 222407097 BETCWYPKXZSIKC-DEOSSOPVSA-N 536.138 4.835 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 222509685 YWBHZDACWBGZBF-AREMUKBSSA-N 542.101 4.867 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 222725580 JMTOVCAOQNELSS-MHZLTWQESA-N 574.118 4.657 0 40 KJAB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)N1c2ccc(Br)cc2C[C@@H]1C 222796574 ZTCFLNRZZIKMQY-KRWDZBQOSA-N 515.429 4.915 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 222803383 ORSRLZHLXHQNEU-NDEPHWFRSA-N 614.606 4.936 0 40 KJAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)c4ccc(OC)c(S(=O)(=O)N5CCCCCC5)c4)cc32)cc1 222926734 JEUMOFDIMWYPDP-UHFFFAOYSA-N 563.676 4.724 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 223024074 YUWAYADINPPYFP-MUUNZHRXSA-N 535.710 4.669 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 223131253 FLHMMUJHDAJMNM-SFHVURJKSA-N 555.311 4.620 0 40 KJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cc2Cl)N1CCCN1CCOCC1 223175780 ALDIJGCZZLVBEA-RPWUZVMVSA-N 516.498 4.874 0 40 KJAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](Cc2ccccc2)C(=O)NCc2ccc(Cl)cc2)cc1 223222237 LFUINRFFKZBFNF-UMSFTDKQSA-N 692.234 4.705 0 40 KJAB COc1ccc(OCCNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 223522815 GENCMLHGQFRWNK-UHFFFAOYSA-N 542.963 4.758 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223709268 HDAKTDIVWGTDHJ-LJQANCHMSA-N 608.544 4.759 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(Br)c(C)c1 223952506 KZXYBZOVCKCRMM-AWEZNQCLSA-N 502.236 4.997 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 223954097 SAKHQMVISIQIAY-SFHVURJKSA-N 570.539 4.553 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 224021284 LTGKEXRRJGZXDC-VWLOTQADSA-N 577.747 4.983 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)c1 224160210 CFBFBOCUNURXQY-QHCPKHFHSA-N 539.673 4.519 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 224222204 BGHZBJQZQMNHER-MRXNPFEDSA-N 548.920 4.602 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224226039 LWAQOOSQBNFYCL-NRFANRHFSA-N 618.127 4.635 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 224279859 TXMZLMOGPBOAHD-SANMLTNESA-N 560.091 4.926 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1Cl 224400417 WIBZGKFILXOXOT-KRWDZBQOSA-N 562.947 4.911 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 224439935 VSXUTKXXJZFKMH-NDEPHWFRSA-N 567.727 4.709 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 224614940 JGQRFKSLIHJBPS-SSEXGKCCSA-N 579.763 4.920 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 224651179 TUWDHGZXIQSPJO-QHCPKHFHSA-N 553.700 4.834 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 224662441 NBZSMXFXWKOKKI-SFHVURJKSA-N 540.513 4.626 0 40 KJAB Cc1ccc(OCCNC(=O)c2ccc(CN(c3ccccc3Br)S(C)(=O)=O)cc2)cc1C 224730166 GXRDYUUCCNFBCO-UHFFFAOYSA-N 531.472 4.841 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)cc1 224742970 HNIFHFBYBOHEJE-IBGZPJMESA-N 554.540 4.934 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1)c1ccc2c(c1)OCO2 224759366 JFZUJNKNSRCBFU-UHFFFAOYSA-N 500.576 4.886 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2CN2CCCC2)c2ccc(C)c(C)c2)cc1 224762510 RREABJJUDYIVCN-UHFFFAOYSA-N 505.684 4.719 0 40 KJAB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1CN1CCCCC1 224808997 RITABKHDBPGXEI-UHFFFAOYSA-N 512.075 4.838 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 224821948 KXFDMBWSERGNTF-QFIPXVFZSA-N 602.153 4.804 0 40 KJAB Cc1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224842522 VCHOFYUEGOGTAW-HKBQPEDESA-N 571.743 4.933 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 224980439 VWASHWKNRJNAPP-DNQXCXABSA-N 551.709 4.531 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 224989257 WEFPWTAYMGIVMZ-XZOQPEGZSA-N 539.673 4.661 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 225015932 PONHCVLVAABMAU-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225262963 CREMCINPLZIQEB-HKBQPEDESA-N 608.780 4.836 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 225276564 UGCPLUPTMRZRDR-RTBURBONSA-N 542.529 4.726 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225291994 XMFYCPYWQGBZNN-XMMPIXPASA-N 612.576 4.787 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)c2cccc(C)c2)cc1 225579272 WCYVKYPRLJJJLY-QHCPKHFHSA-N 539.673 4.580 0 40 KJAB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1)Nc1ccc(F)cc1 225600741 XPHGPORWXKZMOJ-CLJLJLNGSA-N 574.590 4.878 0 40 KJAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 225684198 PNDMHWBBSUYATP-QFIPXVFZSA-N 586.552 4.629 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225718531 KFLKMHRQQRBTOZ-OPAMFIHVSA-N 562.947 4.989 0 40 KJAB Cc1ccc(C)c(S(=O)(=O)N(CC(=O)NCCNc2ccnc3cc(Cl)ccc23)Cc2ccccc2)c1 225936188 CGIHGMGQFKJBQF-UHFFFAOYSA-N 537.085 4.924 0 40 KJAB C[C@H]1CCCN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCCCc3ccccc3)n2)C1 225965484 JNWOLOORBVPQEF-DEOSSOPVSA-N 529.758 4.959 0 40 KJAB 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O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N1CCOc2ccccc21 226023706 BJXRIOBUWPEVNL-UHFFFAOYSA-N 509.386 4.749 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](CC)C(=O)NC(C)C)c2ccc(C)cc2)cc1 260707886 XJLYHJCTVMCSPO-SSEXGKCCSA-N 579.763 4.964 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 260757703 RQVAEGHREZGENT-JOCHJYFZSA-N 542.101 4.786 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 260785191 LQEXWZAHQKUBIQ-OAQYLSRUSA-N 602.153 4.885 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC)S(=O)(=O)c1ccc(Cl)cc1 260855911 FWFIIMGYKLMBJP-LJQANCHMSA-N 578.518 4.751 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O)[C@H](Cc1ccccc1)C(=O)NC(C)C 260904843 VVOYIXGFWFXEIS-HHHXNRCGSA-N 574.118 4.718 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 260952414 KCXFTDYDUQEBSV-CVEARBPZSA-N 548.920 4.745 0 40 KJAB 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CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3ccc(OCC(F)(F)F)c(Br)c3)c2=O)=N1 409047756 MZTYFCFNPQEKOM-PRWBYUBPSA-N 581.410 4.502 0 40 KJAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OCc1cccc(F)c1 409094278 DENJRPJKZXZAGK-WSDLNYQXSA-N 615.399 4.858 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409096137 JOIBVSDIXCHGLM-BTUGVJQXSA-N 580.504 4.621 0 40 KJAB COc1c(I)cc(I)cc1/C=C1\Sc2ccccc2NC1=O 409098824 MDNUVBFMUYJWEE-AUWJEWJLSA-N 535.144 4.990 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C3\C(=O)Nc4ccc(Br)cc43)c2=O)=N1 409120807 UNAYXMBNWRENJO-JRURIKFDSA-N 594.531 4.787 0 40 KJAB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(OCC)c3)C2=O)ccc1Cl 409151006 FMPCUSPXYJSXCG-RGVLZGJSSA-N 518.975 4.686 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1Oc1nc(Cl)ncc1F 409198628 IUPRKSMCLDACCD-HZHRSRAPSA-N 598.056 4.845 0 40 KJAB CN(Cc1ccccc1)C(=O)C[C@]1(COc2ccc(Cl)cc2)CN(C(=O)CCOc2cccc(F)c2)CCO1 585284671 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CC[C@H](Sc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1)C(=O)NC1CCCCC1 9473726 PSVGANDABLRNAI-MHZLTWQESA-N 534.726 4.795 0 40 KJAB COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2S(=O)(=O)c2ccc(SC)cc2)cc1OC 9614305 VULHZZRNJOQEBI-HSZRJFAPSA-N 529.680 4.974 0 40 KJAB COc1ccc(NC(=O)C(=O)c2cccn2-c2c(C(=O)Nc3ccc(OC)cc3)cnn2-c2ccccc2)cc1 12952201 NRRZRTGVEFXKNY-UHFFFAOYSA-N 535.560 4.754 0 40 KJAB CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 14276679 VAQVIRGDIQPBDB-CSKARUKUSA-N 505.471 4.824 0 40 KJAB Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1 19940950 SHZFKPGOGHBRFP-MUUNZHRXSA-N 511.674 4.544 0 40 KJAB O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 24632045 UGQSUNVAYHHRSA-UHFFFAOYSA-N 518.664 4.569 0 40 KJAB aggregator Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)c(Cl)c2)cc1 59852469 VGLVNPJSTOMEFF-IBGZPJMESA-N 528.030 4.610 0 40 KJAB COc1cc2c(cc1OC)[C@@H]1CC(=N[C@@H](Cc3ccccc3)C(=O)O)C3=C(CC(C)(C)CC3=O)N1CC2 85867938 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COc1ccc(Cl)cc1NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NC3CCCCC3)C(=O)N12 101385144 ZATOELPTXURQGG-NRFANRHFSA-N 568.099 4.908 0 40 KJAB CCS(=O)(=O)Nc1ccccc1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2F)C1 101491661 WKUVAWGGSAIOIJ-QHCPKHFHSA-N 522.023 4.781 0 40 KJAB O=C(Oc1ccc(OCc2ccccc2)cc1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102077349 ZBYFVANBDHDMNC-LQDYZEQUSA-N 519.597 4.835 0 40 KJAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3sc(=O)n(-c4ccccc4)c3Cl)[C@H]2C(=O)N1c1ccc(F)cc1 102736459 LCXZCSHRMYPTQK-QHAWAJNXSA-N 521.957 4.743 0 40 KJAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 104150505 KUHHFYZRWGDWMX-SBJIJDAESA-N 527.707 4.671 0 40 KJAB biogenic CCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccc(OC)cc4)CC3)cc2)c1 105351908 ZRNXYUCZWAWKRD-UHFFFAOYSA-N 532.666 4.573 0 40 KJAB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cc(I)cc(I)c1Br 150342209 KADZPPYFVAQJNK-UHFFFAOYSA-N 645.054 4.792 0 40 KJAB Cc1cccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 222543434 UKOPKLKBTHZBMF-NDEPHWFRSA-N 570.155 4.681 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 222705163 ULCPJUJANKFLNJ-FQEVSTJZSA-N 622.571 4.986 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 222786618 VJNXDJXSDDHFHT-HXUWFJFHSA-N 576.090 4.992 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 222885526 HLXGYTHRAVGTCN-QFIPXVFZSA-N 569.699 4.503 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 222909220 NLLUSCQQRQOXGK-NDEPHWFRSA-N 549.737 4.873 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223071019 JFXASYPNSZXLFG-QHCPKHFHSA-N 599.725 4.680 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 223071723 GNHOHEAIXGXFNU-AREMUKBSSA-N 586.552 4.815 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 223173800 DQUAGHDXMTWMNM-DEOSSOPVSA-N 639.943 4.693 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 223175064 ORCFGRCHBRGHMV-JOCHJYFZSA-N 536.138 4.837 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 223265172 PVLSHHKEICPPLD-QFIPXVFZSA-N 587.689 4.892 0 40 KJAB CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 223310654 SHRZDRNAWIMDEL-SSEXGKCCSA-N 547.721 4.700 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 223479560 ZJRPDMLWYNBHAO-SSEXGKCCSA-N 591.680 4.936 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2cccc(Cl)c2Cl)cc1 223863789 ZXENECUHEHZCCT-KRWDZBQOSA-N 555.505 4.778 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 223916685 XHUCYZOANAMZRX-JOCHJYFZSA-N 588.554 4.500 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCCO2 224366188 SUSQXJWLOZFFER-AREMUKBSSA-N 504.602 4.696 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 224411499 JDJJDSDHSUIPDV-HXUWFJFHSA-N 548.920 4.665 0 40 KJAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCSCc2ccc(Cl)cc2Cl)s1 224502826 KFHZCVXSDYNJQY-UHFFFAOYSA-N 517.485 4.617 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224575728 IJUDGYMDBMNJFD-MUUNZHRXSA-N 655.814 4.804 0 40 KJAB COc1cccc(CN(C(=O)CCc2ccc3c(c2)OCO3)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224638981 ILLMTKVXXLPHGV-SANMLTNESA-N 516.638 4.911 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)c2ccccc2)cc1 224685032 UZXZUVGAJXPFHK-QFIPXVFZSA-N 567.683 4.506 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 224749199 SHYLVYWMDHLCCA-VWLOTQADSA-N 576.546 4.924 0 40 KJAB COc1ccc(CNC(=O)c2ccc(CN(c3ccc(Cl)c(Cl)c3)S(C)(=O)=O)cc2)cc1OC 224899546 RJPDGCNPUNXTDR-UHFFFAOYSA-N 523.438 4.907 0 40 KJAB Cc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 224967307 KWASGZPHLDELHL-MHZLTWQESA-N 574.118 4.718 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 224985381 KITNMOHANUHTDU-JOCHJYFZSA-N 572.127 4.796 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 225071031 INXFORSTAMSRKG-MHZLTWQESA-N 606.572 4.933 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 225181736 QQDDKTMYAXJYEA-VWLOTQADSA-N 524.061 4.973 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225391758 JXNHHXTWZLVAEE-CMTIAEDTSA-N 550.099 4.538 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 225438056 RCVKIYGOIPACDM-AZGAKELHSA-N 549.737 4.873 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 225474805 SHVJJPHTFKFPGS-LJQANCHMSA-N 592.943 4.770 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)c2cc(C)cc(C)c2)cc1OC 225485110 MZITYTFORKLFNI-VWLOTQADSA-N 595.762 4.766 0 40 KJAB Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(CCCN2CCOCC2)c1C 225683912 XTOOLGTTXYPZNV-IHLOFXLRSA-N 560.768 4.532 0 40 KJAB C[C@H]1CCCN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCc3ccc(F)cc3)n2)C1 225948198 HCFIXVXNANBNLI-NRFANRHFSA-N 519.694 4.665 0 40 KJAB Cc1ccc(CN(CC(=O)N2CCc3cc(Br)ccc32)S(=O)(=O)c2ccc(C)cc2)cc1 226014445 RSQCJHHRFXXNEC-UHFFFAOYSA-N 513.457 4.846 0 40 KJAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)Cn3nc(C(F)(F)F)c4c3CCC4)C2)n1 257329025 XIBXARRIAKGGIF-QGZVFWFLSA-N 532.998 4.973 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)c2ccc(F)cc2)cc1 260733974 LFKVTTKROJRMEX-HSZRJFAPSA-N 569.699 4.670 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 260787069 LYZZCMGTSMSRKA-RUZDIDTESA-N 547.721 4.975 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOCc3ccccc3)Oc3ccc(C(C)(C)C)cc32)cc1 260854590 ZWECPNCQSHNFRY-HHHXNRCGSA-N 522.667 4.582 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccccc1Cl)[C@H](CC)C(=O)NCC(C)C)S(C)(=O)=O 260887906 KQFWJHGXLYGHOZ-XMMPIXPASA-N 566.164 4.865 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)N[C@H](C)CC)S(C)(=O)=O 261084504 RWWDZHZSFCBVBN-NHCUHLMSSA-N 596.588 4.726 0 40 KJAB CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 408623715 SPYKXECPTINHRI-UHFFFAOYSA-N 544.471 4.765 0 40 KJAB Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c(C)c1 408687462 UWPNGBVILDHGLI-NLNAHKHUSA-N 536.628 4.702 0 40 KJAB Cc1cc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)c2)c(C)cc1Br 408687986 PSYBMKRLRYCBRC-KPOBHBOGSA-N 527.415 4.787 0 40 KJAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCSCc2ccc(Cl)cc2Cl)CC1 408694213 FZGTXBISBQZINN-UHFFFAOYSA-N 515.528 4.893 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(I)cc3)c2=O)=N1 409030297 CXNNKTZTSSWHCG-FJWZAKCXSA-N 667.363 4.954 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(Cl)cc3)c2=O)=N1 409041762 JOIQBCHYZCMTIY-RQLGBQGVSA-N 531.461 4.894 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1 409070368 YVRWQIYRFSYIBM-MDBUFAAASA-N 611.410 4.565 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3ccc(Sc4ncccn4)o3)c2=O)=N1 409097945 OXPDZLMFRSDWBJ-VOZFUJEASA-N 641.569 4.884 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)CC1 409183282 RDYVGYKALJUKBT-UHFFFAOYSA-N 609.917 4.797 0 40 KJAB CCCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 409272104 LPBHSGMRXQYEEL-FYJGNVAPSA-N 515.429 4.859 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(OCC(=O)Nc4ccccc4C)c(I)c3)C2=O)o1 409402944 XUACWLFUGZKYDS-JAIQZWGSSA-N 741.276 4.694 0 40 KJAB COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1 409412153 SGBYRDKFKVVPPN-UHFFFAOYSA-N 539.411 4.920 0 40 KJAB 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4.983 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 1336872 WGESJMXTXKOKIY-NDEPHWFRSA-N 542.640 4.963 0 40 KJAB COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 6282876 YIKMMBAALNTOCS-LJAQVGFWSA-N 520.637 4.616 0 40 KJAB COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1 6879037 AOBNFZJRXLJINQ-QJMPUOCTSA-N 567.233 4.883 0 40 KJAB CCOC(=O)c1c(CSC(=N)N)n(-c2ccc(OC)cc2)c2cc(Br)c(OC(C)=O)cc12 8453900 PPKVFGKXFOWPSC-UHFFFAOYSA-N 520.405 4.630 0 40 KJAB COc1cccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc(F)cc2)[C@H](C(=O)NC2CCCCC2)c2cccs2)c1 8686522 MRMXEMBBQPMFSD-KJKFISAKSA-N 585.723 4.806 0 40 KJAB COc1c(C)cc(Br)cc1C(=O)Nc1cccc(Cl)c1N1CCN(C(=O)C(C)C)CC1 8904376 SICVBKUGDHKDNH-UHFFFAOYSA-N 508.844 4.976 0 40 KJAB C[C@H](NC(=O)COC(=O)c1ccccc1C(=O)N1CCN(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 12529213 WDSANIYQJKLZPB-KMRWNETISA-N 529.681 4.527 0 40 KJAB CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)Cc3csc(-c4ccccc4)n3)C2=O)cc1OC 12594717 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CCGFVPDUSVPJFT-UHFFFAOYSA-N 552.697 4.781 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)CCC(=O)Nc1cc(C)on1)c1ccc2c(c1)OCO2 38145996 DMCGEMNZHHORSG-HHHXNRCGSA-N 550.612 4.518 0 40 KJAB CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1 59924808 SORNURVHHIWEDA-UHFFFAOYSA-N 597.744 4.775 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(C)cc2)c2ccc(C)cc2)cc1Br 60028140 NWNVHEMEQCUXIR-UHFFFAOYSA-N 531.472 4.928 0 40 KJAB O=C(NC[C@@H]1CCCO1)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(F)cc3)N2C1=O 70699175 VEFYYPXFJHYIHC-IYKJZBSOSA-N 538.579 4.699 0 40 KJAB biogenic Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NC[C@H]4CCCO4)C(=O)N32)cc1 70701009 ABJXLPSZCPAVNW-WTILKEDBSA-N 534.616 4.868 0 40 KJAB biogenic CN(C)CCCC(c1[nH]c2ccc(Cn3cncn3)cc2c1CCN(C)C)c1[nH]c2ccc(Cn3cncn3)cc2c1CCN(C)C 77312927 AYRFNHASXHCJRE-UHFFFAOYSA-N 635.865 4.611 0 40 KJAB in-vitro Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCN(c4cccc(C)c4C)CC2)c2ccccc23)cc1C 84466250 OYVSJBDHYOGRRE-UHFFFAOYSA-N 526.666 4.671 0 40 KJAB O=C(NC(=S)Nc1c(Br)cc(Br)cc1C(=O)O)c1cccc(I)c1 100007642 ZBXUZCHBYCDGRA-UHFFFAOYSA-N 584.027 4.641 0 40 KJAB COc1cc(OC)cc(-c2n[nH]c(NC(=O)c3cccc(N4C(=O)N[C@H]5C[C@@]4(C)Oc4ccccc45)c3)n2)c1 101174166 NBVSBXNEVIJXAG-RBISFHTESA-N 526.553 4.511 0 40 KJAB CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccccc3)C(=O)N12)C(=O)Nc1ccccc1OC 102738308 NKPUFEGQVZEFIC-AHWVRZQESA-N 569.687 4.901 0 40 KJAB O=C(C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)N1CCN(c2cccc(Cl)c2)CC1 103008987 FSAMBMDYBCUGOT-UHFFFAOYSA-N 550.430 4.762 0 40 KJAB CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCN(c3ccccn3)C[C@H]12 103405406 ARSVDEYGLVYSND-OZXSUGGESA-N 502.416 4.505 0 40 KJAB CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 107712928 ARLPRBABOZLDBD-ZDUSSCGKSA-N 508.431 4.835 0 40 KJAB CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C 107919308 CUBIKZDAOWWBEX-NRFANRHFSA-N 502.040 4.818 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 111469893 YWDMCOLILATWLG-ZRYJBNJPSA-N 620.683 4.991 0 40 KJAB O=C(O)[C@@H]1C[C@]2(Br)C(Br)=C(Br)[C@]1(Br)C2(Br)Br 150371447 CVMNXPGLNRDDTA-HDTHWOSRSA-N 611.542 4.859 0 40 KJAB C[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)c1cccc(Br)c1 216072363 ABEPYLXXMAKUDV-ZHRRBRCNSA-N 566.315 4.979 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 222658205 BBIXZKHTXQLYFR-MUUNZHRXSA-N 603.160 4.504 0 40 KJAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)N1CCc2cc(Br)ccc21 222785986 AKJZYXFHIFNZSN-UHFFFAOYSA-N 541.467 4.867 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 223071668 GNHOHEAIXGXFNU-SANMLTNESA-N 586.552 4.815 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 223287206 BQQXEJHUTJDCQC-RUZDIDTESA-N 606.970 4.645 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 223427510 WKOUSODJENVOBY-VWLOTQADSA-N 565.736 4.841 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 223445071 YYCCMFXKWRHKIK-JOCHJYFZSA-N 602.153 4.886 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 223447023 PGRYOENLTOUTFJ-DEOSSOPVSA-N 581.735 4.541 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 223706782 AWBUPDTYLNGAIE-IBGZPJMESA-N 578.518 4.751 0 40 KJAB Cc1ccc(CN(C(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1 223813071 WNTFHROZBZKHDR-NRFANRHFSA-N 534.122 4.671 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223816890 VMYVEYZSGUDPAY-SANMLTNESA-N 533.710 4.712 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 223859919 ZIXLJZHRFQXRTP-SFHVURJKSA-N 596.508 4.890 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)c2ccc(F)cc2)cc1 223911393 CIXVAOTYWHZIEU-UHFFFAOYSA-N 528.646 4.912 0 40 KJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccnc1 223924322 ZEJXBHHJWWHQTL-IZLXSDGUSA-N 510.667 4.898 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223938124 JWLFKTZZHANYBV-OAQYLSRUSA-N 602.551 4.597 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 223955868 QGLMOQCUCLMWJI-NRFANRHFSA-N 632.577 4.605 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 224071043 BSWZHRAYBTVHRE-RUZDIDTESA-N 550.165 4.961 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 224172653 RNQRXSYITIHSNU-XMMPIXPASA-N 534.122 4.589 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 224237492 FCDBSOGQOGOZMP-SANMLTNESA-N 549.684 4.686 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1Cl 224329107 VHIOHIMICFECEP-INIZCTEOSA-N 578.946 4.611 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 224341525 WFHOZTOJUKMLGY-DEOSSOPVSA-N 554.540 4.934 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 224750968 XGWJVTSLSOHTRP-QHCPKHFHSA-N 539.673 4.581 0 40 KJAB COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224785436 PTGLPZJJDCKRIH-NDEPHWFRSA-N 504.627 4.556 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224869728 XZAWUGJTLAFUGN-QGZVFWFLSA-N 546.492 4.622 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224946238 PVTVQNHBCWJLTN-MHZLTWQESA-N 553.700 4.643 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)c2ccc(C)cc2)cc1OC 224948315 HXYPDHRFLUXJHF-UHFFFAOYSA-N 523.655 4.837 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 225046656 GLCLMLSOIPKKQL-VWLOTQADSA-N 578.573 4.780 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 225137287 XWLBVXWQJWNPRF-UHFFFAOYSA-N 525.652 4.795 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O 225140484 XSMWDHXDGGWXDV-QHCPKHFHSA-N 538.085 4.501 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC)S(=O)(=O)c2ccccc2)cc1 225526647 FKZHWSODMNKVEA-YTTGMZPUSA-N 599.753 4.975 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)c2ccccc2)cc1 225558848 LAZDSIFJDGGZPZ-QFIPXVFZSA-N 542.101 4.786 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 225603591 ZTQYSZDYXIXDQO-YADARESESA-N 540.101 4.747 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 225669338 KTCYJNDXNVIVPG-QFIPXVFZSA-N 572.127 4.794 0 40 KJAB CCOc1ccccc1N(CC(=O)NCc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 225839061 IVYJZBWFUDUPCF-UHFFFAOYSA-N 506.546 4.924 0 40 KJAB S=C(NCC1(c2cccc(Cl)c2)CCCCC1)Nc1nc(N2CCCC2)cc(N2CCOCC2)n1 225987510 TYXFHLAEBTYYBB-UHFFFAOYSA-N 515.127 4.755 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)Cc2ccccc2)c(C)c1 226068990 RIZJWQBTWNDQKE-UHFFFAOYSA-N 530.650 4.500 0 40 KJAB CNc1nc(-c2ccc(OC)c(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2)cs1 226079010 RGBLQMVQSRKMMB-UHFFFAOYSA-N 522.652 4.690 0 40 KJAB O=C(NCCc1ccccc1)[C@@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)c2ccccc2O1 260734453 IIXOKMRYFHVVHJ-LVXARBLLSA-N 602.540 4.547 0 40 KJAB COc1ccc(CN(C(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)cc1 260792871 MQGDCXFBZNZZPT-OAQYLSRUSA-N 564.148 4.761 0 40 KJAB Cc1ccc(CN(CC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)S(=O)(=O)c2ccc(Cl)cc2)cc1 260822881 BQODPHNTYOLGMV-SSEXGKCCSA-N 604.128 4.950 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 260858489 AIQXUXKGYDYJJA-HSZRJFAPSA-N 539.673 4.519 0 40 KJAB Cc1cc(Cl)ccc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O 260939858 ZTKUOSQYOUNUKW-QGZVFWFLSA-N 562.947 4.911 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 260943985 JANPNRUBKAYGBT-URXFXBBRSA-N 521.683 4.851 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 261069355 PKJYRCQVJHGISD-FIPFOOKPSA-N 570.155 4.969 0 40 KJAB Cc1ccccc1N(CCCC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 261123389 ZRPMDXYBZQMDFW-HXUWFJFHSA-N 566.562 4.636 0 40 KJAB COc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)Nc2ccccc2F)cc1 408576125 MOZOKKBODMPGHU-UHFFFAOYSA-N 525.334 4.513 0 40 KJAB COc1ccccc1CNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1OC 408590481 HJIHBZKIOZGXOJ-UHFFFAOYSA-N 523.438 4.831 0 40 KJAB COC(=O)c1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)sc2c1CCN(C)C2 408609692 PUWPOTIWSFDRHZ-UHFFFAOYSA-N 548.086 4.846 0 40 KJAB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 408627880 QUEDCBUUJUYOPE-JXMROGBWSA-N 524.086 4.777 0 40 KJAB Cc1cccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)c5ccc(Br)cc5C4=O)c(C)c3)CC2=O)c1 408671204 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526.920 4.979 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(Br)c(Cl)c2)S(=O)(=O)c2ccccc2)c(OC)c1 409312401 LIHYQYHHPZYPSI-UHFFFAOYSA-N 539.835 4.954 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1 409325636 YZVGOFLKKCZVJJ-UHFFFAOYSA-N 624.579 4.631 0 40 KJAB Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 409354161 ZFSCAZKWWTYULF-UHFFFAOYSA-N 502.786 4.575 0 40 KJAB CC(=O)N1CCCCCCCN(Cc2cccnc2)Cc2cc(C(=O)NCCn3nc(C)cc3C)ccc21 643570523 DIBUNQSPJDEIDU-UHFFFAOYSA-N 516.690 4.644 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=S)NCc3ccccc3)cc2c1 879585 LLGZDEHGWGKRHM-UHFFFAOYSA-N 501.608 4.732 0 40 KJAB CCCc1cc(=O)n2c(C(=O)Nc3ccc(C(=O)OC)cc3)c(C(=O)Nc3cccc(C)c3C)sc2n1 1320825 YTKSFOBYLDEBQO-UHFFFAOYSA-N 518.595 4.617 0 40 KJAB Cn1nnnc1SCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc4c5c(cccc35)CC4)sc2c1 2164193 WKPXAYORUOMZFB-UHFFFAOYSA-N 547.691 4.533 0 40 KJAB O=C(NCc1ccc(Cl)cc1)c1ccc(Cn2c(=S)[nH]c3ccc(N4CCOCC4)cc3c2=O)cc1 2976096 JSXNZRNAGCFFLU-UHFFFAOYSA-N 521.042 4.527 0 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514.607 4.531 0 40 KJAB O=S(=O)(c1ccc(Br)cc1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 33010836 XTCQEFKZJKJFEN-UHFFFAOYSA-N 515.458 4.632 0 40 KJAB Cc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N(Cc3ccccc3)Cc3ccco3)c(=O)[nH]c2cc1C 57608746 FCPBXEMKADSEDT-LEAFIULHSA-N 524.625 4.695 0 40 KJAB CCOc1ccc(C(=O)N2CCN(c3oc(-c4cccs4)nc3S(=O)(=O)c3ccccc3)CC2)cc1 64789781 YQAKFIHMKSBMGM-UHFFFAOYSA-N 523.636 4.597 0 40 KJAB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)NCc1ccc(C(=O)O)cc1 79221219 ZEOALPPNSFEECQ-AGMCMMBCSA-N 692.850 4.833 0 40 KJAB biogenic O=S(=O)(O)c1cc(Nc2nc(NCCO)nc(Nc3ccccc3)n2)ccc1/C=C/c1ccc(Nc2nc(NCCO)nc(Nc3ccccc3)n2)cc1S(=O)(=O)O 95876413 UCYJMVLISUTARN-VAWYXSNFSA-N 828.894 4.503 0 40 KJAB COc1ccc(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1Cl 100250419 ZVUDMTVZJHDFMC-UHFFFAOYSA-N 523.836 4.941 0 40 KJAB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C1=O 101113732 IRHSOAZMWCCHOB-PKTNWEFCSA-N 540.597 4.814 0 40 KJAB 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KJAB CC[C@H](C(=O)c1ccc(Cl)cc1)[C@H](c1ccc(Br)cc1)[C@H](C(=O)OC)C(=O)N1CCOCC1 98007068 YSCODWKVZAMEQK-FKBYEOEOSA-N 536.850 4.743 0 40 KJAB O=C(c1ccccn1)C1[C@](O)(c2ccccn2)CC(c2ccc(Br)cc2)C[C@@]1(O)c1ccccn1 100224675 WCMYMURTCHSGSY-ZZQAABLJSA-N 530.422 4.786 0 40 KJAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Oc1ccc(/C=c2/sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)cc1 101337685 UVMCVSIYYJVHLQ-JIKGSJTLSA-N 570.454 4.708 0 40 KJAB CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC(C)C)cc2)cc1 101625001 MTOAVYUOIIHLMV-UHFFFAOYSA-N 528.634 4.516 0 40 KJAB O=C1[C@@H]2N=NN(CC(=O)N3N=C(c4ccc(Br)cc4)C[C@@H]3c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 102830813 IESCYUIWYRKYHR-QLBJFCOMSA-N 591.853 4.774 0 40 KJAB COc1ccc(Br)cc1CN(C)C(=O)[C@H]1CS[C@]2(c3ccc(Br)cc3)CCC(=O)N12 103047537 ZQYJLWKSDHZZNS-GCJKJVERSA-N 554.304 4.769 0 40 KJAB CC1(C)[C@@H](C(=O)N[C@H](N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C(Cl)(Cl)Cl)[C@@H]1C=C(Cl)Cl 104150511 KUHHFYZRWGDWMX-ICNDRIKCSA-N 527.707 4.671 0 40 KJAB 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COc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 408576810 NHUMVBKDRZIBCH-UHFFFAOYSA-N 535.398 4.990 0 40 KJAB CC(C)c1ccc(N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1 408606416 KHDKGASGTYDFMF-FMIVXFBMSA-N 517.695 4.863 0 40 KJAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1 408637561 AIENZPKZEGXOCD-WOJBJXKFSA-N 534.952 4.568 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCC)c(=O)n2[C@H]1c1cccs1 408765970 CDHSWMNJVCZOMS-DDYRAIOVSA-N 659.365 4.626 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)c(OCC)c4)c(=O)n32)cc1 408859409 WZUZEASHZSXDDK-CVXGXVHTSA-N 569.683 4.680 0 40 KJAB CCOC(=O)COc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 408915862 RCQLMDATESIHBD-KMYVYOQISA-N 647.149 4.930 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(Br)cc1OC 408931780 QEFVCQCPISMADL-GRSHGNNSSA-N 505.390 4.840 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1 408990278 WQPOSNIYURTLKP-ZEKHAJRLSA-N 561.059 4.606 0 40 KJAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)C2=O)cc1 409021740 WBLZBLKKLJQWNH-LPYMAVHISA-N 564.392 4.566 0 40 KJAB CN1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)N(C)C1=S 409046501 KKUKRCPZZDPGFS-YBEGLDIGSA-N 543.224 4.662 0 40 KJAB CC1CCN(C(=O)Cn2cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)c3ccccc32)CC1 409136774 VIZMGHKSKZQNGZ-OYKKKHCWSA-N 534.613 4.714 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 409138418 BKUJQGVJIJUXRV-BUVRLJJBSA-N 644.487 4.927 0 40 KJAB COc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409258796 VYYMMMXARYYMOQ-UHFFFAOYSA-N 503.668 4.823 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nccc(C)n4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409271078 IUOGOSTUACBPOY-JCXLJCJISA-N 598.706 4.803 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 409332571 QJIGUGADVSNESN-UHFFFAOYSA-N 565.673 4.882 0 40 KJAB COCC(=O)N1CCCCCCCCN(C(=O)c2ccc(-n3nc(C)cc3C)nc2)Cc2ccccc21 618017814 QLLCXIMVBILAQV-UHFFFAOYSA-N 503.647 4.860 0 40 KJAB COc1ccc([C@@H](C(=O)NCc2ccc(F)cc2)N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)C2CCCCC2)cc1 888049 MPJFDYQMHBHDMS-LJAQVGFWSA-N 574.632 4.846 0 40 KJAB Cc1noc(N(S(=O)(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccc(Br)cc2)c1Cl 1403432 IINPFDPFWIAQNK-UHFFFAOYSA-N 570.668 4.746 0 40 KJAB COc1ccc(OC)c([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCCCC4)CC(=O)N32)c1 2103072 MJXIWAFILDJONL-ABYGYWHVSA-N 501.627 4.983 0 40 KJAB biogenic CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2NC(=O)CCc2c[nH]c3ccccc23)cc1 2971527 XNVRYVWDQXOACI-UHFFFAOYSA-N 541.633 4.710 0 40 KJAB O=C(O)[C@H]1[C@H](C(=O)NCc2ccccc2)C2(Br)c3ccccc3C1(Br)c1ccccc12 3059147 GCGLGKMZCPDQRT-AGYDLCDTSA-N 541.239 4.924 0 40 KJAB C[C@@H]1Cc2ccccc2N1C(=O)CN(CC(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1cc(Cl)ccc1Cl 3221536 ZGNGUAXOLMJNMD-RTBURBONSA-N 572.514 4.940 0 40 KJAB COc1cc(C(=O)OCC(=O)N2CCCc3ccccc32)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 3322480 VHHYEZMYYWNKQW-UHFFFAOYSA-N 542.510 4.868 0 40 KJAB COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)n1 3655069 UJWRZWKMHFKLRA-AWEZNQCLSA-N 596.653 4.649 0 40 KJAB COc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccnc4)=NN32)c(C(=O)O)c1OC 8738761 RAUMHIVJGZWINU-MBSDFSHPSA-N 510.344 4.802 0 40 KJAB CCCOC(=O)c1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)sc2c1CCCC2 10212898 YETIGXAZUFMIBD-SFHVURJKSA-N 504.674 4.542 0 40 KJAB CCOc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)CC)c2cccs2)c1 13032646 OYQPCQGWSKVDEI-VWLOTQADSA-N 505.644 4.971 0 40 KJAB CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 16033437 IIKLPZNWRMNWIX-HXUWFJFHSA-N 501.988 4.889 0 40 KJAB O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccccc3Cl)co2)s1)c1cccs1 16047917 VXNINISFHWYJSU-UHFFFAOYSA-N 505.986 4.970 0 40 KJAB CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N(Cc1cccs1)C[C@@H]1CCCO1 20083900 RGEKHMMKELFWCU-RDPSFJRHSA-N 522.675 4.500 0 40 KJAB COc1ccc(N(CC(=O)Nc2cccc3ccccc23)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 22278464 MSGNHNJLEBKIDY-UHFFFAOYSA-N 503.580 4.641 0 40 KJAB COc1ccc([C@@H](CNC(=O)[C@@H](CCSC)NC(=O)c2ccccc2Cl)N2CCCCC2)cc1 32969121 PRMCCKSXJPSNDZ-DNQXCXABSA-N 504.096 4.544 0 40 KJAB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C2=C(N=3)c3ccccc3CC2)ccc1OC 58864865 MKDWQUGGNSUVIM-PQRKSKNISA-N 524.642 4.735 0 40 KJAB Cc1c(Cl)cccc1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)cc(Cl)c1 59671439 NRNDDRKFJRKPHS-ROUUACIJSA-N 518.875 4.669 0 40 KJAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)c2cccc(Br)c2)CC1 59836853 HBIODNXXGXAAGQ-OAHLLOKOSA-N 529.884 4.779 0 40 KJAB COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)N[C@@H](C)c4ccccc4)cc3)ccc2s1 59836873 OFTMPIWSXOEBHG-KRWDZBQOSA-N 524.620 4.745 0 40 KJAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc(OC)c3)N2C1=O)C(=O)O 70705725 LQXURSIVSZMJHU-XHAZDJPGSA-N 580.641 4.889 0 40 KJAB biogenic Cc1csc(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@H]4[C@H](C[C@H](O)[C@@]32C)[C@@]2(C)CC[C@@H](O)C[C@H]2C[C@H]4O)n1 72326001 XSZZSRBCBYIENW-KWQPEXISSA-N 504.737 4.768 0 40 KJAB biogenic CCc1ccc(-c2noc(CN3C(=O)N(Cc4nc(-c5ccc(CC)cc5)no4)[C@](C)(c4cccc(-n5cnnn5)c4)C3=O)n2)cc1 96021569 UQEGFRTZJCXQQO-MGBGTMOVSA-N 630.669 4.767 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)/C=C/c2cc(OC)c(OC)c(S(=O)(=O)N3CCc4ccccc43)c2)c1 97980146 OXWLPUXDZDLDHA-DTQAZKPQSA-N 668.838 4.738 0 40 KJAB CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(c6ccc(C)cc6)C(=O)[C@H]45)[C@H]23)ccc1O 100922823 JQOXHEJSWIVUOJ-ISVYNJCHSA-N 534.659 4.527 0 40 KJAB CC(C)C[C@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]21 101508674 MPDMUKBWBMNURO-LUASENJMSA-N 558.560 4.785 0 40 KJAB COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@@H]3C[C@@H]4C[C@@H]3c3ccccc3)cc2)cc1 102512169 CKHWKDKGOYDUIB-PVNFNAHNSA-N 509.558 4.664 0 40 KJAB CCn1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 102920728 YGPWZEOCDITSID-UHFFFAOYSA-N 536.485 4.590 0 40 KJAB COc1ccccc1NC(=O)c1cc(C(=O)c2cc(Br)ccc2O)cn(-c2ccccc2OC)c1=O 102988333 QKUIAWIDOHKFNX-UHFFFAOYSA-N 549.377 4.806 0 40 KJAB CCc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)N4N=C(c5ccc(Br)cc5)C[C@@H]4c4ccccc4)[C@H]3C2=O)cc1 103152328 ZVDPUOPDUMAJCJ-ZRJLEYOISA-N 585.462 4.683 0 40 KJAB Cc1nnc2c3ccccc3c(-c3ccc(N4CCOCC4)c(NS(=O)(=O)c4cccc(Cl)c4)c3)nn12 103248892 KYUOSUSWJMMNLI-UHFFFAOYSA-N 535.029 4.544 0 40 KJAB O=C(c1ccccc1)c1ccc(OC(=O)[C@@H]2[C@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1 103558383 IABRKLNXXIXPKZ-WBRFVXMESA-N 598.611 4.684 0 40 KJAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@H](N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 104745182 KUHHFYZRWGDWMX-VYTNBFIRSA-N 527.707 4.671 0 40 KJAB CCn1c(SCC(=O)NCc2ccccc2)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl 107912353 VMENEWALCJJVHT-OAQYLSRUSA-N 500.068 4.877 0 40 KJAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 112247577 WNYNJGZGWSIXHD-UHFFFAOYSA-N 538.622 4.526 0 40 KJAB CN(C)S(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1)c1ccccc1F 113516190 NRTOTDFXBDGSMM-UHFFFAOYSA-N 574.678 4.864 0 40 KJAB Cc1ccc(C(=O)OC[C@@H]2O[C@@H](n3cnc4c(S)nc(N)nc43)[C@@H](OC(=O)c3ccc(C)cc3)[C@H]2OC(=O)c2ccc(C)cc2)cc1 150367546 SOUITANOVOYJTH-WJLKJTLYSA-N 653.717 4.828 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C1=O)N1CCOCC1 214651439 DYSJRKZOBKZXFE-UDWIEESQSA-N 551.846 4.577 0 40 KJAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1OC 215909780 BTSDXDSJZRARBU-KRWDZBQOSA-N 533.444 4.539 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc(CN2CCCC2=O)cc1 215921292 RGQHNFWVTJTXPZ-UHFFFAOYSA-N 528.428 4.625 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 222762099 QGDXNKINNHTUCO-KRWDZBQOSA-N 562.054 4.765 0 40 KJAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)COc4ccc(S(=O)(=O)NC5CCCCC5)cc4C)cc32)cc1 222766579 PMFKRPWJCTWLDX-UHFFFAOYSA-N 577.703 4.835 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 223193838 DRKYDVYQXDEKAO-QZTJIDSGSA-N 588.515 4.606 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C(=O)NCCCOCC)c2ccccc2)cc1 223383619 FBELCTYYPXRJMD-SSEXGKCCSA-N 600.181 4.884 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c2cc(C)ccc2C)cc1 224083343 DUEKMSKGHUMWEO-SANMLTNESA-N 549.737 4.997 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 224168866 NJDWYEIZCOWDMT-MHZLTWQESA-N 556.128 4.581 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 224172515 AQYZGPGWTJBDLP-XMMPIXPASA-N 534.122 4.589 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 224345701 ZFKYQBXBTZTUAU-SANMLTNESA-N 604.542 4.521 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 224510981 XYDPCWRXOFRHNZ-QFIPXVFZSA-N 542.529 4.792 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 224609595 GPPWNTWLWLEBGK-LJAQVGFWSA-N 601.716 4.686 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 224731198 BPJBDXWPZUSALW-SFHVURJKSA-N 572.953 4.591 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 224949581 WDFRDYURRBTIOF-SSEXGKCCSA-N 579.763 4.821 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 225170297 AJDPLOVUNXBXHN-XMMPIXPASA-N 538.085 4.501 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225264141 NMUWVBZQWVQCJX-QHCPKHFHSA-N 598.549 4.744 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 225660757 BDDIMVNHVFFTRM-NRFANRHFSA-N 560.091 4.864 0 40 KJAB 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CCOC(=O)COc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1OC 408837596 JNYLIZDZQQLFMN-LPRAYXGFSA-N 750.917 4.549 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(SC)cc1 408920535 JUVOCYQNAFGIFX-JZVSFUAJSA-N 579.925 4.642 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccc(Cl)cc1 408978725 AVZMYPMFXXIUHO-FGSNJIQSSA-N 561.059 4.606 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)c(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(C)cc1 408998394 QFZJCLKXZIOQBQ-LMSRTUJASA-N 577.058 4.807 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(OCC)c(OC)c3)c2=O)=N1 409036666 SCKFCKQNULNFCK-GVMLUORFSA-N 615.546 4.757 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409087276 SQUILWLXXWWLLR-CCVBWGSMSA-N 667.534 4.926 0 40 KJAB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)NC4CCCC4)c4c(CC)cccc34)N(CC(=O)OC)C2=S)cc1 409129894 MPMKYSHAMIKYED-PKAZHMFMSA-N 588.730 4.809 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nccc(C)n4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409271077 IUOGOSTUACBPOY-IDGUORLLSA-N 598.706 4.803 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc(Br)cc4)c(OC)c3)C2=O)o1 409399269 HIUPWYVZWLTZBP-YBFXNURJSA-N 541.354 4.509 0 40 KJAB O=C(NCCCCn1ccnc1)c1ccc2c(c1)CNCCCCCCCN2C(=O)COc1ccccc1 643583446 CTOOYMAJIJXYEA-UHFFFAOYSA-N 517.674 4.559 0 40 KJAB COc1ccc(CN(Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)C(=S)NCc2ccccc2)cc1 895785 DTNKZDRCDUFGEB-UHFFFAOYSA-N 503.624 4.631 0 40 KJAB CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O 1374533 FKZRKSLAGHVSFY-MUUNZHRXSA-N 526.616 4.907 0 40 KJAB CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4cccs4)CC(=O)N32)cc1OC 2123797 PMLODNPASOHWJZ-WXVAWEFUSA-N 501.608 4.522 0 40 KJAB biogenic CCOC(=O)[C@H](Cc1ccccc1)NC(=O)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccccc1 2301017 SNHQIJQFYOORRA-PSJJOBAMSA-N 521.411 4.511 0 40 KJAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1Cc1ccccc1 2419212 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CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 13495862 ITUGDFIBIMORFK-MHZLTWQESA-N 512.614 4.751 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(N(CC)S(=O)(=O)c3ccccc3)cc2)cc1 13585053 NDCANIMFDRCJON-UHFFFAOYSA-N 510.612 4.876 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2CCc2sccc2C)cc1 15320240 VVAPKKWTBKPSHC-QFIPXVFZSA-N 505.596 4.642 0 40 KJAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCN(c2cc(Cl)ccc2C)CC1 19941346 WCIWUUOGGNJURA-RUZDIDTESA-N 520.081 4.842 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cccc(Br)c2)Cc2ccccc2F)cc1 20012135 ZLAYNGACTRFQRG-GOSISDBHSA-N 519.436 4.965 0 40 KJAB COc1ccc([C@@H](C)NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 22430859 NKBNQCORESVEET-GOSISDBHSA-N 503.020 4.738 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(CN4CCOCC4)c3)cc2)cc1Cl 38752595 AVPQBBRTTQCZTQ-UHFFFAOYSA-N 500.020 4.534 0 40 KJAB COc1ccc(CN(C)C(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1OC 44848817 AXXFEUYSTNKIKF-UHFFFAOYSA-N 503.020 4.520 0 40 KJAB CCCSc1ncc(Br)c(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2)n1 46085657 GKOHVKNJXFTTHG-LJQANCHMSA-N 517.424 4.860 0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 59884530 WDDIULJMGAOVNP-UHFFFAOYSA-N 571.627 4.908 0 40 KJAB Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccsc3)=NN2C(=O)CN2CCOCC2)cc1 69375142 YPZVCFHDRUDPLT-HHHXNRCGSA-N 511.651 4.919 0 40 KJAB O=C(O)CCC(=O)N1N=C(c2c(-c3ccc(Cl)cc3)c3ccccc3[nH]c2=O)C[C@@H]1c1ccccn1 95532154 PRUOUNFSFWXGJO-JOCHJYFZSA-N 500.942 4.786 0 40 KJAB C/C=C/C(=O)N1c2ccc(OCC)cc2C2=C(SC(C(=O)OC)=C(C(=O)OC)C23SC(C(=O)OC)=C(C(=O)OC)S3)C1(C)C 97965336 ILUDOQMQMLIBPN-PKNBQFBNSA-N 661.776 4.579 0 40 KJAB CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 100371695 HQZNXLFUDLPSHX-RPLLCQBOSA-N 560.699 4.524 0 40 KJAB COc1ccc(CCNC(=O)CCn2c(SCC(=O)c3ccc(Br)cc3)nc3ccccc3c2=O)cc1OC 101311283 ZTUDRAYRXIBRSY-UHFFFAOYSA-N 610.530 4.900 0 40 KJAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1 105352554 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COc1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 261002107 QFMCLYCMTMNQRV-MUUNZHRXSA-N 598.165 4.814 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 261028265 WNWASWPWMBXFBX-JGCGQSQUSA-N 620.816 4.624 0 40 KJAB COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 408551384 HNQRRXJPBHEHOZ-UHFFFAOYSA-N 509.367 4.598 0 40 KJAB COc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1NC(=O)c1ccc(Cl)cc1Cl 408562115 XWWZLXDRFZDQMQ-UHFFFAOYSA-N 520.438 4.765 0 40 KJAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 408614348 BEVCRHXBMISVRQ-UHFFFAOYSA-N 566.554 4.652 0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)cc1Cl 408615656 BVAPDCGELYLXAH-UHFFFAOYSA-N 549.052 4.807 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c2ccc(Br)cc2)cc1 408622101 UILWKEICZPIJLA-JOCHJYFZSA-N 586.508 4.500 0 40 KJAB COc1cccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)c5ccc(Br)cc5C4=O)c(C)c3)CC2=O)c1 408638180 BQHYMEMULQYGPG-MRXNPFEDSA-N 549.377 4.525 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 408678865 ISKCROCBMQVIMF-UHFFFAOYSA-N 582.531 4.975 0 40 KJAB Cc1c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)ccc(Br)c1Cl 408687340 UOGVOFYRSPFXFH-BMHXQBNDSA-N 545.817 4.742 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(OC)c(Cl)c3)S(C)(=O)=O)cc2)cc1 408711477 MLWZDMXTQWYZBO-UHFFFAOYSA-N 596.127 4.733 0 40 KJAB O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)N1CCN(c2cccc(Cl)c2)CC1 408714239 LXZLFBSUBZILAY-GOSISDBHSA-N 530.905 4.537 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 408714253 MFFQVYYLIOAXHG-LJQANCHMSA-N 588.579 4.739 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@H]1c1ccc(F)cc1 408783755 QNYRUUORVHTTJL-GMPUOFRTSA-N 579.447 4.543 0 40 KJAB CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)cc1OC 408822833 CDAZMTBRHRSSNN-ZMIGGIFCSA-N 541.069 4.639 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3ccc(OCC)cc3OCC)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408837393 DRHJJMMUUXTMOW-WVWKGNOCSA-N 581.012 4.792 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)ccc4O)c(=O)n32)cc1 408855344 LWMRWHXCLYHJGK-SJJVXOANSA-N 546.048 4.632 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)c(OC(C)C)c(OCC)c4)c(=O)n32)cc1OCC 408942848 LKPMHNLHWHSLMK-PPHHINJTSA-N 692.572 4.606 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Cl)cc(Cl)c4OC(C)C)c(=O)n32)cc1OCC 408945888 OGQLLKVUTROTOF-RLMQVFMBSA-N 591.513 4.910 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(-c4ccccc4)[nH]c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC 408995998 CKUGEJVHXWYIIF-KEBLUXQBSA-N 549.652 4.955 0 40 KJAB COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)C(=O)O1 409003112 DMPBGISPXHFTAS-JAIQZWGSSA-N 523.925 4.938 0 40 KJAB COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1Cl 409022724 QJSFZHUEXQPGED-XSZPGNIMSA-N 534.012 4.675 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409034867 ORPBQGHXTBOAFH-XGLZOBASSA-N 720.582 4.523 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)c2cc(C)cc(C)c2)cc1 409116942 MPSUMBQTFFIIJD-UHFFFAOYSA-N 507.656 4.832 0 40 KJAB COC(=O)c1ccccc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)o1 409191368 WRDSFBPCVDICPV-MFCBUNOESA-N 607.084 4.895 0 40 KJAB CCCN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc(F)c3)c(OCC)c2)C1=O 409232258 PPXMJYAJTNHGFL-WOJGMQOQSA-N 524.330 4.711 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc(I)c1OC(C)C 409240204 KASWZCGHPPCNFI-UDWIEESQSA-N 577.419 4.571 0 40 KJAB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OC)C2=O)ccc1Cl 409344533 GXDXNHAUSOHFMG-NDENLUEZSA-N 502.976 4.981 0 40 KJAB CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(Br)cc1C(C)C 409354876 AJTQONSGRWIUHV-UHFFFAOYSA-N 546.491 4.853 0 40 KJAB CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCC(=O)NCCc2ccccc2)n1C 409355290 JWFQXAZNIMDKQU-NRFANRHFSA-N 520.486 4.700 0 40 KJAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Br)cc(Br)c3O)C2=O)o1 409389866 QDIYDLRBBLQIOA-WLRTZDKTSA-N 517.151 4.533 0 40 KJAB CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2ccco2)n[nH]1 604404031 INHGQMPYIVYCOQ-IWWVAPJASA-N 630.702 4.706 0 40 KJAB biogenic Cc1ccc(-n2nc(C(=O)N3CCC4(CCCCc5ccccc5O[C@H](C)C(=O)N(C)C4)CC3)nc2C)cc1 643563795 WCSZVXOCXSDKCN-HSZRJFAPSA-N 529.685 4.759 0 40 KJAB COc1ccc(CCC(=O)N2CCCN(Cc3cccnc3)CCCN(C(C)=O)c3ccccc3C2)c(OC)c1OC 643579480 BBNJMUBHLYLXEN-UHFFFAOYSA-N 574.722 4.718 0 40 KJAB COc1cc([C@H](CC(=O)NCCN2CCCC2=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC 1547138257 DDPZSICSEYRECQ-NVQXNPDNSA-N 666.768 4.866 0 40 KJAB biogenic COc1cc(OC)cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccccc2)c2ccc(C)cc2)c1 931972 ZSHYRIHPYHLRHF-HKBQPEDESA-N 549.631 4.848 0 40 KJAB COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C(=O)Nc2ccc(OC)cc2)cc1 1335968 AEOPTWUTFAUFGD-UHFFFAOYSA-N 501.539 4.551 0 40 KJAB CCCNS(=O)(=O)c1cccc2c(NC(=O)[C@H](NC(=O)c3ccccc3)c3ccccc3)cccc12 2127240 LGOCXZONLNBESZ-AREMUKBSSA-N 501.608 4.638 0 40 KJAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccccc4)n3-c3ccccc3)cc2)n1 2739523 IGDHSQLBQXWCAT-UHFFFAOYSA-N 557.661 4.564 0 40 KJAB CC(C)c1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC(C)(C)C)c2ccc(Cl)cc2)cc1 6190840 IFJYGWDFBNORLQ-OAQYLSRUSA-N 528.078 4.904 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 8444796 PVVNAXLMFQPQRJ-BQKWAYIGSA-N 609.473 4.551 0 40 KJAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 8814645 NGOPAZIHHGCLEL-UHFFFAOYSA-N 524.646 4.938 0 40 KJAB CCc1cc(=O)oc2c3c(cc(OCC(=O)NCCc4c[nH]c5ccc(OC)cc45)c12)OC(C)(C)CC3 8877419 MGNYBVQZXLVDQC-UHFFFAOYSA-N 504.583 4.687 0 40 KJAB biogenic COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(OC)c(Cl)c4)cc3)CC2)c1 8903381 WWKLWTBFNSBANU-UHFFFAOYSA-N 509.990 4.581 0 40 KJAB CCOc1ccc(-n2c(SCC(=O)c3ccc4[nH]c(=O)[nH]c4c3)nnc2-c2c[nH]c3ccccc23)cc1 12542447 VQKVZOHYVKTWFK-UHFFFAOYSA-N 510.579 4.959 0 40 KJAB COc1ccc([C@H]2CC(c3cn(-c4ccccc4)nc3-c3cccc(OC)c3)=NN2S(C)(=O)=O)cc1 13126296 ALVNUZNOICHPOA-AREMUKBSSA-N 502.596 4.667 0 40 KJAB CC(=O)Nc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NC[C@@H]4CCCO4)c3)c3ccccc23)cc1 17527803 MRBKMKPCTAIGPK-QHCPKHFHSA-N 531.638 4.765 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1Cl 22530921 DMBLTBSQWXVCKO-UHFFFAOYSA-N 513.321 4.594 0 40 KJAB COC(=O)C1=C(c2ccccc2)c2cc(Cl)ccc2S(=O)(=O)N1CC(=O)Nc1ccc(Cl)cc1 32984958 OJWUZMJRPPWNNT-UHFFFAOYSA-N 517.390 4.569 0 40 KJAB COc1ccc(N(CC(=O)NCc2ccccc2-n2ccnc2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 59852952 VVAKLWMOXFOZBC-UHFFFAOYSA-N 539.057 4.663 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc4ccccc34)S(C)(=O)=O)cc2)c1 59885449 SLXVSZFPPLQUBD-UHFFFAOYSA-N 537.663 4.662 0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)S(C)(=O)=O)cc1C 59886363 ADLFIZZTYJWRTH-UHFFFAOYSA-N 537.663 4.662 0 40 KJAB COc1ccc(OC)c(C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 70681053 FEKAAKIJUOHKPI-KWYVSSJISA-N 508.574 4.574 0 40 KJAB biogenic CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](O)[C@@]4(C)C5=CC[C@@H](c6ccoc6)[C@]5(C)CC[C@@H]4[C@]1(C)[C@@H]32 96085750 WGBLBVXSYGYVPN-VQDQNZKNSA-N 512.643 4.785 0 40 KJAB biogenic,in-vitro COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c(Cl)c3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 97947603 ZFVQOFRONMISRK-XXMKCSCWSA-N 613.475 4.544 0 40 KJAB NC(=O)c1c(NC(=O)CCSCCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)sc2c1CCCCC2 97948313 FKFOMPMITWMQPG-UHFFFAOYSA-N 562.783 4.636 0 40 KJAB COc1cc(OC)cc(C(=O)NCc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2-c2ccccc2OC)c1 97961583 ZAEHIIUXTPJBCN-UHFFFAOYSA-N 590.687 4.564 0 40 KJAB CC(=O)Nc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccccc23)cc1 97987009 XLXHMHRLYCIHFP-UHFFFAOYSA-N 537.399 4.575 0 40 KJAB COc1ccc(NC(=O)CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)c(OC)c1 98000237 NGVZTAFDTLEXRX-UHFFFAOYSA-N 551.694 4.703 0 40 KJAB CCCOc1ccc(N2C(=O)C[C@H](N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2=O)cc1 100095833 LTULUFULYHQBDV-MHZLTWQESA-N 519.592 4.793 0 40 KJAB COc1ccc(CCNC(=O)[C@@H](c2ccc(F)cc2)N(Cc2ccco2)C(=O)c2ccc3c(c2)OCCO3)cc1OC 100394409 UETMDBODGMDEFZ-SSEXGKCCSA-N 574.605 4.950 0 40 KJAB O=C1[C@@H]2[C@H]3C[C@H]([C@H]2C(=O)N1c1ccc(Cl)cc1)[C@@H]1[C@@H](c2ccc(F)cc2)c2sc(=O)[nH]c2S[C@H]31 100922510 QFGDUGJTSQXGGQ-PIQGRLPUSA-N 513.015 4.907 0 40 KJAB CC(C)Cn1c(N)c([C@H](c2ccc(-c3ccc(Cl)cc3)o2)N2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O 101086926 KREHGENCMPLMBO-SANMLTNESA-N 534.060 4.600 0 40 KJAB CC1(C)[C@H]2CC[C@]1(C)CN(C[C@H](O)COc1ccc(OC[C@H](O)CN3C[C@@H]4CC[C@@](C)(C3)C4(C)C)cc1)C2 101325672 QGHVACNSTKVODF-NIBOAOKCSA-N 528.778 4.682 0 40 KJAB Cc1ccc(NC(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)cc1S(=O)(=O)N1CCOCC1 102954087 SAOLZTBANJYJFY-UHFFFAOYSA-N 565.098 4.665 0 40 KJAB COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc1I 145522636 HOKGQAAHQGDGCL-IGSWSUAKSA-N 582.488 4.993 0 40 KJAB 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225078166 GWKOTCGCTMNTID-NDEPHWFRSA-N 535.710 4.832 0 40 KJAB CCn1c(=O)sc2cc(NC(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccc(OC)c(OC)c3)ccc21 225085509 ALTCSZGMWFYMRO-UHFFFAOYSA-N 555.678 4.551 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(I)cc1 225164792 MTXUUCHRZLBHKH-HOTGVXAUSA-N 528.818 4.655 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 225349731 CBMRBEITMKETJJ-HHHXNRCGSA-N 579.710 4.776 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 225356762 YCXKEJKLMBZYRT-DHIUTWEWSA-N 569.699 4.670 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)c2cccc(Cl)c2)cc1 225458687 DZVOXWHZSZTBRM-QFIPXVFZSA-N 542.101 4.786 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 225542404 LFSCFGNIHNMRQN-RBJSKKJNSA-N 593.746 4.684 0 40 KJAB COc1ccc(OCCCC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NCC(C)C)cc1 225704763 BXYAPAQCEKPGKV-IBGZPJMESA-N 505.453 4.806 0 40 KJAB 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CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OCc5ccccc5F)c4)c(=O)n32)cc1OCC 408944422 MKLPGUDQCDFSCF-OTKSFMAGSA-N 588.657 4.534 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(I)c1OC 409122737 BDNRRZQJHWGNNI-QGOAFFKASA-N 509.365 4.978 0 40 KJAB CCc1cccc2c(/C=C3\SC(=O)N(CCOc4ccc(F)cc4)C3=O)cn(CC(=O)NC[C@H]3CCCO3)c12 409124364 BIIFDLZCXUOEFQ-UELZEPHDSA-N 551.640 4.753 0 40 KJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409147656 VQDOSNCPPGDBHS-PMACEKPBSA-N 509.628 4.800 0 40 KJAB O=C(COc1ccc(N2C[C@H](C(=O)NCc3ccccc3)CC2=O)cc1)Nc1ccc(Cl)cc1Cl 409159887 VSDUPGQSDXVJNY-GOSISDBHSA-N 512.393 4.680 0 40 KJAB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)c(OCC)c3)C2=O)ccc1Cl 409161193 ZELHKWRCQGGECR-CIAFOILYSA-N 533.002 4.989 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1Oc1nc(Cl)ncc1F 409196995 ZHOVVSIBYRVPLM-CAOOACKPSA-N 509.943 4.696 0 40 KJAB COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 409239685 DDDODGIURQDZHY-LPYMAVHISA-N 550.409 4.877 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Sc4nccc(C)n4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 409273389 QLDUSVIXYLPVCS-PRWBYUBPSA-N 615.506 4.543 0 40 KJAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cccc(OC)c3OCc3cccc(C(=O)O)c3)C2=O)o1 409385264 IUSCTBFPRLEMNR-CIAFOILYSA-N 523.519 4.589 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Br)c3)cc2)cc1 409387661 DHZPXPNUIYZOAN-UHFFFAOYSA-N 505.390 4.666 0 40 KJAB O=C(N[C@H](C(=O)O)c1cccnc1)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 585120842 ONPBOTSRTAAPSS-SANMLTNESA-N 550.036 4.682 0 40 KJAB O=C(N/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)N1CCOCC1)c1ccc(Br)cc1 675985 GLACUBCSQOVZIH-LGUFXXKBSA-N 557.448 4.932 0 40 KJAB COc1ccc(CN(Cc2cccnc2)[C@@H](c2cc3cc(C)c(C)cc3[nH]c2=O)c2nnnn2Cc2ccco2)cc1 1381965 XIHOQMKFIUDVMP-PMERELPUSA-N 561.646 4.968 0 40 KJAB O=C(Nc1ccc2c(c1)OCO2)[C@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 1418937 IPDANBBVXCBQBG-LJAQVGFWSA-N 555.541 4.847 0 40 KJAB CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1O 2447556 KRMNBXYOSFJGGX-ZDXQCDESSA-N 523.383 4.913 0 40 KJAB COC[C@H](C)n1c(COc2ccccc2F)nnc1SCc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 3297387 AJEAOXHBHACKMR-GJZGRUSLSA-N 529.663 4.919 0 40 KJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)c1 3300507 NULRWXCIHIIBLI-UHFFFAOYSA-N 513.015 4.839 0 40 KJAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)/C=C/c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1 3308789 BXRQYKPQNIAASR-GZKZCVOOSA-N 502.398 4.817 0 40 KJAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)ccc1Cl 3308872 BCSBLLDEWZRDCT-UHFFFAOYSA-N 523.076 4.938 0 40 KJAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21)OCC(=O)c1ccc(Cl)cc1 4173746 JTJXYZZEAWJBAJ-OJKWPBSESA-N 643.715 4.971 0 40 KJAB O=C(CSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1)Nc1ccccc1 8685168 ZFMGKRRNTBAZTK-UHFFFAOYSA-N 501.656 4.831 0 40 KJAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc(OCc3ccc(F)cc3)c2)c(OC)c1 9892426 BOSLLDVJTSYVSM-SANMLTNESA-N 515.545 4.941 0 40 KJAB COc1ccc(NC(=O)CSc2nnc(NC(=O)c3cc(Br)ccc3Cl)s2)cc1 11667523 OGCRDAKBGYOXOX-UHFFFAOYSA-N 513.826 4.946 0 40 KJAB COc1cccc(NC(=O)CN(C)C(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 12800397 SITFESMIYVFDJO-UHFFFAOYSA-N 521.683 4.583 0 40 KJAB O=C(NCc1ccc(Cl)c(Cl)c1)c1cc(I)cc(I)c1O 12956265 ARGOXJQNHKFYCY-UHFFFAOYSA-N 547.945 4.838 0 40 KJAB COc1ccc([C@H]2CC(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)=NN2S(C)(=O)=O)cc1 13122879 WHOCEWZWLHRUHU-HSZRJFAPSA-N 507.999 4.968 0 40 KJAB COc1ccc(OC)c(NC2=C(Sc3nc(C)cc(C)n3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 13150323 CDAGINOCSKLICM-UHFFFAOYSA-N 511.003 4.749 0 40 KJAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccncc4)nc4ccccc34)cc2)nc(C)n1 16806085 SHWVGVXCGDUTEB-UHFFFAOYSA-N 510.579 4.757 0 40 KJAB CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)sc2c1CCCC2 17297537 VNKLXOGHAPVQBS-CALCHBBNSA-N 504.674 4.723 0 40 KJAB CC(C)c1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc(N4CCCCC4)c4ccccc4n3)CC2)cc1 22053378 ZWDZLPGAPGZJED-JOCHJYFZSA-N 507.704 4.811 0 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COCCNc1nc(CN(CCOC)Cc2nc(NCCOC)c3c(C)c(C)sc3n2)nc2sc(C)c(C)c12 102890010 WNZRMDDYESOJHG-UHFFFAOYSA-N 573.789 4.695 0 40 KJAB CC(C)Oc1ccc(C(=O)N[C@@H](CNC(=O)CN(C)C)Cc2ccc(-c3cn4cccc([C@H](C)O)c4n3)cc2)cc1Cl 103624979 WHMXDBPHBVLYRC-SQJMNOBHSA-N 592.140 4.514 0 40 KJAB CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 108003837 WLDYJGGPWPCZAJ-AWEZNQCLSA-N 503.422 4.535 0 40 KJAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@@]21C)[C@@]1(C)CC[C@H](OC(C)=O)C[C@H]1C[C@H]3OC(C)=O 118913927 GVIZCQOBODPSLY-HDVYOFOJSA-N 504.664 4.887 0 40 KJAB biogenic,in-vitro CC(C)Oc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)cc1 140046659 ATHZIFAPKXCCKF-UHFFFAOYSA-N 537.520 4.527 0 40 KJAB CC(=O)c1ccc(N2CCN(C(=S)S[C@@H]3CC(=O)N(c4c(Cl)cccc4Cl)C3=O)CC2)cc1 215761409 URHVOVHXAGJPMQ-LJQANCHMSA-N 522.479 4.668 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 222725068 COLDWURWKJAUEB-VWLOTQADSA-N 620.555 4.654 0 40 KJAB 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CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 222588296 UBIPRXXNGGSZEP-FYBSXPHGSA-N 579.763 4.964 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](CC)C(=O)NC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 222873477 HOXKKTBTGJJPOR-LJAQVGFWSA-N 641.787 4.638 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 222874179 FHTGXKPFJSTIDU-NRFANRHFSA-N 557.663 4.801 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 222988772 OZTIPZORFBCMPZ-MHZLTWQESA-N 535.710 4.669 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 223015577 JLVAEXZYBMGLLO-GOSISDBHSA-N 610.933 4.990 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223088678 AZZROPYUTDGZCA-JOCHJYFZSA-N 536.138 4.837 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 223113335 QJMCGEWXTAPSMQ-QFIPXVFZSA-N 647.579 4.861 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 223204602 LCSZSTBIJXLEFE-QFIPXVFZSA-N 566.482 4.881 0 40 KJAB COc1ccc(CN(C(=O)COc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCc2ccc3c(c2)OCO3)cc1 223291477 OWCJWJSDDHBTKN-GDLZYMKVSA-N 552.627 4.759 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(I)cc1 223322054 SWWARBQUAYMRCE-SFHVURJKSA-N 535.209 4.530 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223356215 LNWJYVPASRWFBG-OAQYLSRUSA-N 578.946 4.755 0 40 KJAB O=C(NC[C@H]1CCCO1)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl 223458850 JWUYGBTVYQZFNH-KCWPFWIISA-N 510.993 4.923 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2cccc3cccc1c23 223461515 FDKNMOYVYVUMCY-NRFANRHFSA-N 501.627 4.922 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(I)cc1 223648801 VPTCJNOPTLTMRR-JOCHJYFZSA-N 522.427 4.702 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 223716597 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O=C(CSCc1ccc(Cl)cc1Cl)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224416027 DSMZTEVEAAISMW-UHFFFAOYSA-N 517.500 4.596 0 40 KJAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 224446006 MBAFWWFANLLKHR-UHFFFAOYSA-N 684.236 4.874 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224630239 STADEXUZHSZRPV-FQEVSTJZSA-N 546.064 4.616 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1 224676860 KOKXNXIQRPPLAQ-QFIPXVFZSA-N 597.709 4.514 0 40 KJAB CS(=O)(=O)N(CCCC(=O)NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(F)c(F)c1 224815683 LRJLQJWCXMCFCZ-UHFFFAOYSA-N 506.546 4.546 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 224977727 ZORXNKUJLGYPLI-MUUNZHRXSA-N 553.700 4.537 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C)c2ccc(Br)cc2)cc1 225026670 CNCKDKMVPKJLSL-UHFFFAOYSA-N 546.468 4.505 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1OC 225071335 HUTDDDOGGPGGNY-SANMLTNESA-N 636.598 4.941 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccco3)c2C)ccc1OC 225290555 PCAXOUBWQCGSJM-NSOVKSMOSA-N 545.665 4.912 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 225364875 RGGTUPZHPPCINF-HHHXNRCGSA-N 551.709 4.533 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 225410420 IGIBWKYSAMRXLG-MUUNZHRXSA-N 570.155 4.971 0 40 KJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3nccs3)c2C)cc1NS(C)(=O)=O 225473779 HKKUACUQMJIFML-DHIUTWEWSA-N 554.723 4.503 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 225476979 ZWYOBXOTUYQDAV-IBGZPJMESA-N 637.394 4.879 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 225482253 QPGUDKWZDICOKI-HXUWFJFHSA-N 604.592 4.838 0 40 KJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)cc1NS(C)(=O)=O 225486680 XODSKWMEHRNESF-RPBOFIJWSA-N 537.642 4.569 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 225615739 COYNGBNEGFGONH-AREMUKBSSA-N 576.546 4.926 0 40 KJAB CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1 225792109 UCWNSHQNBBQWFP-HXUWFJFHSA-N 508.109 4.698 0 40 KJAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N1CCc2cc(Br)ccc21 226004521 UPBGRGVLBSQTPU-UHFFFAOYSA-N 564.299 4.992 0 40 KJAB Cc1cccc(CNC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)c1 226034243 ZRSXZQCFLWAVKC-UHFFFAOYSA-N 521.864 4.918 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)Cc2cccc(Cl)c2)cc1 226067869 FIBCDSWTJQDXBZ-UHFFFAOYSA-N 537.041 4.537 0 40 KJAB CCCOc1ccc(OC)cc1-c1ccc(C(=O)NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c(CC(C)C)c1 257259647 KZIAUUBTNUXBNW-UHFFFAOYSA-N 559.706 4.872 0 40 KJAB Cc1ccc(CN(C(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1 260817865 WNTFHROZBZKHDR-OAQYLSRUSA-N 534.122 4.671 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 260878653 BUFIIHMPHLUKNW-MBSDFSHPSA-N 542.529 4.524 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 260891858 RILOKURHYGVXDV-HHHXNRCGSA-N 556.128 4.579 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1 408596247 TZANZMRTAPCPLV-UHFFFAOYSA-N 547.599 4.567 0 40 KJAB COc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1OCC(=O)OC(C)C 408600129 VGIKUMXPCIAYEM-QPSGOUHRSA-N 519.959 4.644 0 40 KJAB Cc1cc(NC(=O)COC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)c(C)cc1Br 408644468 FWRLZGQFDRQVCH-UHFFFAOYSA-N 523.232 4.718 0 40 KJAB COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)c2)cc1 408689063 XYTKDQQAVDBIMM-BYVQZYKMSA-N 586.600 4.665 0 40 KJAB O=C(CSc1nnc(Cc2ccc(Br)cc2)o1)Nc1cccc(I)c1 408711583 XNRZXRGAELIQFP-UHFFFAOYSA-N 530.185 4.758 0 40 KJAB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Cl)c(O)c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC 408757686 OUAYHOWAMGKNBR-ORVZPOCUSA-N 561.059 4.704 0 40 KJAB 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501.004 4.976 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 222485356 QUHCSNJTJBQVBT-GDLZYMKVSA-N 565.736 4.672 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 223055533 QGYXUKMARCLXCO-HZPDHXFCSA-N 548.920 4.745 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCOc1ccc(OC)cc1 223178913 JKLVVZPJMDMEFS-RTBURBONSA-N 505.453 4.949 0 40 KJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 223540364 FAUSWAOFUILVPX-KRWDZBQOSA-N 562.947 4.789 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 223658474 WVDYHDNIFXJXTI-XMMPIXPASA-N 551.709 4.859 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223912185 HRIGFKDCIBBFSG-FQEVSTJZSA-N 650.567 4.744 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 224012787 TVQMHLANXAREJJ-QHCPKHFHSA-N 551.709 4.567 0 40 KJAB 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CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(Cl)cc1)c1ccc(Cl)c(C(F)(F)F)c1 224791365 LJYYRWPRCIFQIY-UHFFFAOYSA-N 513.365 4.754 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1C 224910816 PMXJILDEPNRWQP-NDEPHWFRSA-N 570.155 4.888 0 40 KJAB COc1ccc(CCC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1OC 224952122 KAHBKLUYDUXQLJ-SANMLTNESA-N 506.618 4.940 0 40 KJAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)cc2)cc1 225146030 DOIDUQNTIBGFIM-UHFFFAOYSA-N 511.625 4.730 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225155881 LWGNKVRKOHODIO-SANMLTNESA-N 606.185 4.914 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225210982 DBGJAIBVZAIAGC-SANMLTNESA-N 602.153 4.886 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 225286753 KWYFCXMHQRFKFP-GDLZYMKVSA-N 567.727 4.928 0 40 KJAB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3cccnc3)c2C)ccc1NS(C)(=O)=O 225418135 WVJUWMRUPQAOQT-RRPNLBNLSA-N 562.721 4.500 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 225485207 MEMFJHSUPBQUJO-JXBUFBJBSA-N 616.622 4.846 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 225551932 RFVBBKOHAXZSMJ-JYFHCDHNSA-N 529.747 4.880 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)c2ccccc2F)cc1 225559805 ZJOGLUKVBACIQN-NRFANRHFSA-N 560.091 4.925 0 40 KJAB Cc1ccc(-c2nnc(NC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4)c4cc(Cl)ccc4O3)s2)cc1 225709232 YHYZCJOCYIRESX-NRFANRHFSA-N 527.027 4.762 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 225765273 WNYRHDWHOKVWOQ-PMERELPUSA-N 563.764 4.790 0 40 KJAB Cc1ccccc1S(=O)(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)CC1 257237730 HHWXEFOOGDPFAG-UHFFFAOYSA-N 505.080 4.901 0 40 KJAB O=C(C[C@]1(COc2cccc(Cl)c2)CCCN(C(=O)COc2cccc(F)c2)C1)N1CCCCC1 257240752 HVAOJIVWYAGDJX-HHHXNRCGSA-N 503.014 4.948 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 260872562 ALDXFCGSZTZXLZ-GDLZYMKVSA-N 595.737 4.689 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 260922048 GSXJCZWFWIQZPC-YKSBVNFPSA-N 522.111 4.608 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 260929422 WFVHJOMQYYLMLL-RUZDIDTESA-N 535.710 4.688 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 260958832 YAJYCDNCBWIHON-SSEXGKCCSA-N 625.763 4.698 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 261037357 KFLXFNSORAUTJL-DFHRPNOPSA-N 630.605 4.779 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC(c2ccccc2)c2ccccc2)cc1 408611756 RFGHZXQFRWQIEI-UHFFFAOYSA-N 514.647 4.834 0 40 KJAB COc1cc(NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)cc1Cl 408620236 KVUFAHZXHPWGBJ-UHFFFAOYSA-N 503.020 4.804 0 40 KJAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H](c6ccccc6)[C@@H](C5)[C@H]4C3=O)cc2)c1 408689499 SAKNXIKUIDLFLP-KELWNNIDSA-N 536.584 4.614 0 40 KJAB CCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)cc1OCC 408823605 FLPHDOANZCPDMN-ZMIGGIFCSA-N 541.069 4.639 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(I)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408908438 DXWUTXQQDTWBNY-RNEGFDSTSA-N 626.472 4.532 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4)c4ccccc34)c(=O)n2[C@@H]1c1cccc(OC)c1 408920040 GMNGKDZVHXGXBU-UNDLXJOSSA-N 563.679 4.810 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(C)C)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1 408922313 OKGJJRFDQABTDC-ASZNLBCTSA-N 542.657 4.747 0 40 KJAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 409051645 BEDSNEOEXPYWDE-IWIPYMOSSA-N 532.618 4.739 0 40 KJAB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 409064637 DSLVSZCXWFESKO-SRZZPIQSSA-N 572.362 4.846 0 40 KJAB CCOc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Br)c1OCc1ccccc1F 409072588 CSYIPJUBUBTIQU-UHFFFAOYSA-N 679.590 4.691 0 40 KJAB CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)C1=O 409073599 QMRJLVZHCDXGCH-LICLKQGHSA-N 509.321 4.625 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)c(Cl)c4)c(=O)n32)cc1 409078280 BLUGWCKNEVGVPX-GTWFGUSFSA-N 546.048 4.545 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409084640 MNDWQXVPFVMGQE-CCVBWGSMSA-N 667.534 4.926 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3O)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409101292 WPAXSMHELOZGHX-WWFXOLRUSA-N 606.542 4.734 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCCC2 409123609 HPWHFCXIAHZYBW-UHFFFAOYSA-N 542.679 4.955 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OC(F)F)c(=O)n2[C@H]1c1cccc(OC)c1 409163513 SOOQGNJZLUPVJM-QAHUDSGCSA-N 562.594 4.546 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccc(OC(F)F)cc3)c2=O)=N1 409172360 CVSCTPARAFXSNS-VZIOXZNFSA-N 563.022 4.842 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1 409178056 DUCLCQYVIQOREE-UHFFFAOYSA-N 625.725 4.737 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 409242373 RKGJFZPWKUDPKK-LPYMAVHISA-N 523.948 4.988 0 40 KJAB Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]12 409334957 MRNZTJLBPYLUHO-WWAFRDAFSA-N 507.542 4.862 0 40 KJAB CCOc1ccc(Nc2cc(Nc3ccc(OCC)cc3)n(S(=O)(=O)c3ccc(OC)cc3)n2)cc1 575443631 XFDHKQZFDCZHHY-UHFFFAOYSA-N 508.600 5.413 0 40 KJAB CC(=O)Nc1ccc(NC(=S)N[C@@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 3304861 UWLJJZWIYHASLU-MRXNPFEDSA-N 538.682 4.820 0 40 KJAB COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)Nc2ccn(Cc3ccccc3C)n2)n1 3655071 VHAIQNFMRJSUDZ-UHFFFAOYSA-N 573.597 4.917 0 40 KJAB Cc1c(CCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 8877690 MVZYPZRUQFOBAB-UXHICEINSA-N 512.606 4.775 0 40 KJAB biogenic COc1cc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCO)ccc1OCc1ccccc1 9124103 QQLHYVHZTHTVJF-HHHXNRCGSA-N 519.985 4.869 0 40 KJAB CC(=O)Oc1cc(OC(C)=O)c2c(C)c(CC(=O)NCCC(c3ccccc3)c3ccccc3)c(=O)oc2c1 9133901 YTLKVYHOAFVJLF-UHFFFAOYSA-N 527.573 4.833 0 40 KJAB CCOc1ccc(/C=C(/NC(=O)c2ccccc2C)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC 13750135 LPIULOTWAXYKGL-JJIBRWJFSA-N 502.567 4.989 0 40 KJAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 14357891 RYPIIEALPKAANX-UHFFFAOYSA-N 522.627 4.951 0 40 KJAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccc2OCc2ccc(F)cc2)c1 17086323 MYJQZPFZVIXHFP-AREMUKBSSA-N 515.545 4.941 0 40 KJAB Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)[nH]c12 19973058 BPELGBWZZNISPG-QHCPKHFHSA-N 525.579 4.508 0 40 KJAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N(Cc3ccc(F)cc3)Cc3ccco3)cc2c1 20082302 LGZIRDGJQXQINT-IGKIAQTJSA-N 528.588 4.526 0 40 KJAB C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34/C=N/C34CC5CC(CC(C5)C3)C4)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 28862146 RPQWRIJQHPRPED-GPGQQJLTSA-N 537.741 4.739 0 40 KJAB biogenic O=C(Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3Cl)c(=O)c21)Nc1ccc2c(c1)OCO2 35399910 PSIWFPROWAEODJ-UHFFFAOYSA-N 504.905 4.559 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cccc(Br)c2)Cc2ccccc2)cc1OC 59834820 RGFMMJLHVSBJMB-GOSISDBHSA-N 547.471 4.535 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4sc(C(=O)OC)cc4c3)C2)cc1Cl 59836814 FIHIGTVUQRSEGM-OAHLLOKOSA-N 537.059 4.779 0 40 KJAB CC(C)Oc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)cc1 59923174 KHPFTFQBDLCEAV-UHFFFAOYSA-N 537.520 4.527 0 40 KJAB CC[C@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1)C(=O)O 70701548 NBWLCAPFQGXOGJ-CAVYSCNFSA-N 577.722 4.524 0 40 KJAB biogenic CCOc1ccc2nc(SCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)[C@@H]3c3ccccc3)[nH]c2c1 97994747 JBMKYYKXAQGXTM-AREMUKBSSA-N 536.679 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 111470342 VOWWSPLUOWUFLM-IGSWSUAKSA-N 567.436 4.960 0 40 KJAB Cc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 138778142 WILSMDIAHJPOAW-GFCCVEGCSA-N 500.176 4.599 0 40 KJAB O=C(C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 215952795 LLFZKUKUESKVLR-UHFFFAOYSA-N 596.591 4.925 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 222499840 SWZWSFGOPFGQKZ-JOCHJYFZSA-N 542.101 4.624 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 222500881 WFEOGAQFBXKYAB-IBGZPJMESA-N 592.943 4.770 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 222527045 QIZMOBMBFAPMRJ-NDEPHWFRSA-N 600.181 4.835 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 222532989 WRCDMPYULUPGLX-YIXXDRMTSA-N 545.746 4.580 0 40 KJAB 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CCC1=C[C@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CCN3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 252515028 GBABOYUKABKIAF-ODXJPMDXSA-N 778.947 4.754 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)c2ccccc2)cc1 260766321 GOMUZNUZYNQIAU-HSZRJFAPSA-N 551.684 4.806 0 40 KJAB COc1cccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)c1 260813300 VMVGNYNXHZHQSO-XMMPIXPASA-N 565.736 4.573 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)cc1 260858549 AMSPWVAXQYFLNA-RUZDIDTESA-N 565.736 4.697 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 260864353 AFUXMRMOEMLYBC-RPWUZVMVSA-N 551.709 4.531 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 260885820 CLRYKCJYLQWTON-JTSKRJEESA-N 572.953 4.591 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)cc1 260911927 QWBPNQFDBJLUFH-HSZRJFAPSA-N 539.673 4.519 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc4ccccc4c3)Oc3ccc(Cl)cc32)cc1 260945373 URXLJCUFGISFRC-HHHXNRCGSA-N 537.037 4.953 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 260948372 RSJOWYMBHQBNDX-HSZRJFAPSA-N 569.699 4.528 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 260985861 MKZIFGSXPQPWFM-HHHXNRCGSA-N 570.155 4.969 0 40 KJAB CN(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 260989075 NCXNCGPLGSGEEF-MUUNZHRXSA-N 568.139 4.659 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 260994647 QLZFDHNWBLGBIY-PKTZIBPZSA-N 569.699 4.670 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 260995796 QVQLYWZAYLIBLM-HOTGVXAUSA-N 578.946 4.753 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 260997392 DRKYDVYQXDEKAO-ROUUACIJSA-N 588.515 4.606 0 40 KJAB 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COc1ccccc1OCC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC1CCCCC1 225202421 LGNQMFIYSVJEAB-GOSISDBHSA-N 503.437 4.703 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)ccc1OC 225292513 PWZNUNTYQDMXRL-UIOOFZCWSA-N 505.644 4.769 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 225325138 YRYLUARZYRHREU-RTBURBONSA-N 542.529 4.708 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 225442786 WUBDFTLZMMGYPP-FGZHOGPDSA-N 521.683 4.503 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O 225498477 DTLPYJZMVIWZFL-MUUNZHRXSA-N 583.726 4.547 0 40 KJAB CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(CCOC)c1C 225547713 JUJVOWXUTSMMIX-RRPNLBNLSA-N 505.688 4.710 0 40 KJAB O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 225844173 OXNPALAZNSRGDK-UHFFFAOYSA-N 524.042 4.509 0 40 KJAB C[C@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)NCC2(c3ccccc3)CCCCC2)n1 225982770 WWSJZJYYAMGXQS-QFIPXVFZSA-N 508.736 4.881 0 40 KJAB COC(=O)[C@@H]1O[C@H](Oc2ccc([C@@H]3[C@@H](CC[C@@H](OC(C)=O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 256109578 NZXOBPVQKQLFNG-CKBHFNMJSA-N 767.731 4.825 0 40 KJAB COc1cccc(CN(C(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1 260802857 PXRVLVDYOBBWGS-OAQYLSRUSA-N 564.148 4.679 0 40 KJAB CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](CC)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1 260868701 DOTYUKSUNUCDLB-SSEXGKCCSA-N 579.763 4.903 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1Cl 260882371 JEZZZBGLCMIGCN-LJQANCHMSA-N 572.555 4.738 0 40 KJAB CN(C)S(=O)(=O)N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc(F)cc1 260975172 KBQAHERXDMRPKT-GDLZYMKVSA-N 615.171 4.791 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 261020957 IJKKUXUFEFDJNO-RTWAWAEBSA-N 580.589 4.890 0 40 KJAB CC(C)c1ccccc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 261068126 PBQJLRWGQJUSTM-LJQANCHMSA-N 566.562 4.671 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1 408552752 VBINOPSKIOPNMD-FYJGNVAPSA-N 589.464 4.784 0 40 KJAB Cc1cc(C)cc(N(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)c1 408630944 YGVSJUAXYXIHSN-UHFFFAOYSA-N 505.640 4.764 0 40 KJAB O=C(Oc1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408642659 PJBAIIIAAVAVFR-GDIGMMSISA-N 501.366 4.632 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)cc1C(=O)N1CCCC1 408693283 MLTAUFYMQUJCAA-UHFFFAOYSA-N 565.673 4.686 0 40 KJAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1 408700642 JJXFXUPMIBCLKV-JOCHJYFZSA-N 534.122 4.530 0 40 KJAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OCc4ccccc4)c(OCC)c3)c2=O)=N[C@H]1c1ccc(O)c(OCC)c1 408732489 VTMUQHHBWMBFBO-DDIUQFJASA-N 614.720 4.989 0 40 KJAB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)ccc4OC(C)=O)c(=O)n32)c1 408770335 WICZCZXWMJISSG-BIWBSIMWSA-N 618.509 4.570 0 40 KJAB COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4c(C)n(C)c5ccccc45)c(=O)n32)cc(OC)c1OC 408812153 CFVKZNOEBZLMMW-JLKMOJGBSA-N 608.720 4.700 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C\c4cn(C)c5ccccc45)c(=O)n32)cc1OC 408813131 OFKWPUUBYTYLIS-SJXDCSIJSA-N 578.694 4.691 0 40 KJAB CCOC(=O)Cn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c2ccccc21 408819133 WTQPRAVWIBGEST-XLHJEKARSA-N 609.679 4.593 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408859557 YDRFUQPMPMFOGQ-IMUCPKNRSA-N 642.730 4.871 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)OC)ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(C)cc1 409000425 YCZCEFNZINWDJW-RISWYLRJSA-N 577.058 4.807 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4nc(Cl)ncc4F)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409064949 RFHIOVFVRZFCHE-IGSWSUAKSA-N 595.052 4.572 0 40 KJAB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 409067346 XSKHGXAGEUIETL-UHFFFAOYSA-N 536.456 4.672 0 40 KJAB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3nc(-c4ccccc4)c(C)s3)n2C)c1 409134838 OIRMNJHINLDNTM-INIZCTEOSA-N 506.657 4.777 0 40 KJAB CCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)C1=O 409169720 YNUOKOPUUOPGKT-CXUHLZMHSA-N 557.182 4.554 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)c(C)c2)c2ccc(F)cc2)cc1OC 409174912 VOUWIVAAILWXRQ-UHFFFAOYSA-N 537.407 4.748 0 40 KJAB O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(C(F)(F)F)c1 409381002 CREQVEYSKQQCTK-IFCUIPEHSA-N 587.469 4.865 0 40 KJAB Cc1cc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)S(C)(=O)=O)ccc1Br 409411823 LQRWKTJRWMEUFH-UHFFFAOYSA-N 600.944 4.925 0 40 KJAB COc1ccccc1CCNC(=O)c1sc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)nc1-c1ccccc1 526052593 QMTKMQQXSHZFBD-OFNKIYASSA-N 526.662 4.577 0 40 KJAB CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCc1nc(Cc2ccccc2)no1 604404695 QVTLTFNMPBSGRU-CLXCDQNCSA-N 669.779 4.980 0 40 KJAB biogenic CC(C)CCN1CCOCCOc2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)cc2Cc2cccc(c2)C1 643579890 JENSNNKSLBITGV-SSEXGKCCSA-N 544.692 4.960 0 40 KJAB CC1(C)COCCC[C@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)CC[C@H]2CC(=O)N(CC2CCC(F)(F)CC2)C[C@@H]1O 1534612536 IJOAMAMYCVWTGW-NSVAZKTRSA-N 598.797 4.770 0 40 KJAB Cc1cccc(C)c1N1C(=O)c2ccccc2N[C@]12C(=O)N(CCN1C(=O)c3ccccc3C1=O)c1ccccc12 643426 REDOBPWQKBOLTB-XIFFEERXSA-N 542.595 4.872 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccccc1 1845200 VCDXSGHHMPFQFU-CLNXTWJPSA-N 576.678 4.660 0 40 KJAB CCCOC(=O)c1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(CCc4ccccc4)C3=O)cc2)c1 1953586 BXBTXQRUAACPEN-UHFFFAOYSA-N 531.996 4.980 0 40 KJAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 3266108 VLDRBGUJQDHFTP-UHFFFAOYSA-N 528.630 4.898 0 40 KJAB O=C(OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 4536413 SVVKRZQAFRVDED-VQSVPOMMSA-N 566.562 4.877 0 40 KJAB CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)c(Cl)c2)n2c1C[S@](=O)C2 5553341 HMIFLJCYXXUQGV-MGBGTMOVSA-N 516.447 4.951 0 40 KJAB COc1ccc(CCNC(=O)[C@H](C)Sc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1OC 8846785 RGGODIDLDUHEBL-NRFANRHFSA-N 516.667 4.909 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(CCc1cccc(C)c1)C(=O)Cn1nnc2ccccc21 13032236 DIQZKVKJTXZWLZ-MUUNZHRXSA-N 513.642 4.563 0 40 KJAB CC(C)(C)c1ccc(/C=C2\SC(=O)N(CCNC(=O)CCNC(=O)c3ccccc3Cl)C2=O)cc1 16043777 HUNHGJPIXKHTLV-PGMHBOJBSA-N 514.047 4.610 0 40 KJAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)c2ccc(SC)cc2)cc1Cl 20006608 BATSDIJQNAGQQK-UZUQRXQVSA-N 519.088 4.838 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN(Cc4ccc(Cl)cc4)CC3)cc2c1 20082523 RAKXRMNRHHHBGB-MHZLTWQESA-N 532.092 4.753 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 38152762 XYPOFCOXPGPNAR-UHFFFAOYSA-N 531.984 4.553 0 40 KJAB COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)c1 59331782 PMARKVRBVODTQZ-UHFFFAOYSA-N 525.074 4.806 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(Br)cc1 59834516 LKHQNFCWGXVYPW-KKSFZXQISA-N 551.890 4.878 0 40 KJAB CC(C)(Cc1cccc(CC(=O)NCc2cccc(-c3ccc(O)cc3)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 64490563 YPHDIMUXXABSSO-YTTGMZPUSA-N 617.768 4.640 0 40 KJAB investigational C[C@H](CCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)[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@@]21C 79188137 WSTKGNAYSQFSDX-ZLGXCDAYSA-N 622.847 4.904 0 40 KJAB biogenic CCOc1ccc(CCn2c3c(c(=O)[nH]c2=O)C(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(OC)cc2)N3)cc1OCC 98003703 XVEXUYAQBIZXBS-UHFFFAOYSA-N 600.516 4.778 0 40 KJAB biogenic CCOc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)c1 101213323 LZOAYYBRTWSPBI-SMIHKQSGSA-N 523.383 4.908 0 40 KJAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)COC(=O)c1ccccc1NC(=O)NC(C)C 102882704 RHSQZTFUQALCIR-UHFFFAOYSA-N 539.610 4.926 0 40 KJAB O=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 103111433 LWKOZEPTGYTHLT-UHFFFAOYSA-N 543.041 4.889 0 40 KJAB CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCN(c3ncccn3)C[C@H]12 103405489 JEDDVLSLVILIFJ-DHLKQENFSA-N 537.849 4.553 0 40 KJAB CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCc1ccc(O)cc1 108449998 TXFBXPCWUDCKDS-MLEOTOBYSA-N 617.743 4.754 0 40 KJAB biogenic CC[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)c1ccc(OC)cc1 113946301 UBAUXJIFOZIDJY-QPPBQGQZSA-N 501.004 4.572 0 40 KJAB Cc1cc(-c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c(C)c2)ccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 150419558 FIZAQQBLQBZIBG-UHFFFAOYSA-N 634.780 4.976 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)cc(I)c3O)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163611441 ICEYVLOZFRWHOD-XYMPBJBSSA-N 669.246 4.958 0 40 KJAB CC(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1)c1ccccc1 216478061 OOEMYFJQRRWYSM-QHCPKHFHSA-N 507.494 4.895 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 222406498 DIWYXHXBBMKNPV-IBGZPJMESA-N 548.492 4.660 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 222464178 YREKTGXXROFBRT-MUUNZHRXSA-N 551.709 4.531 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 222546649 GRYCGVFNUQMPRQ-HSZRJFAPSA-N 542.529 4.872 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1OC 222685039 BGNNSZAEBPPBLO-DEOSSOPVSA-N 595.762 4.848 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](Cc2ccccc2)C(=O)NC)c2ccc(C)cc2)cc1 222860326 VIZBVCYZPKPUGP-XIFFEERXSA-N 629.779 4.984 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 223014370 ZHWTUFDSPIWZGA-HXUWFJFHSA-N 620.541 4.736 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223150691 AKZZFXIBFGPZSQ-JOCHJYFZSA-N 602.153 4.886 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 223202383 VFWCRUZZRXFMID-XMMPIXPASA-N 566.482 4.881 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 223214712 NTFKNBFJKJYRFF-XMMPIXPASA-N 515.720 4.607 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 223250676 ZBVQKBUOAIZWLH-MHZLTWQESA-N 600.579 4.608 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 223333600 CCERFUKCAPNFFX-QDPGVEIFSA-N 570.155 4.969 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 223429503 YUMBEJARKMPPSF-XMMPIXPASA-N 581.735 4.623 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223669449 KYGSPZQHUNSIAQ-XMMPIXPASA-N 585.689 4.982 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c1 223809257 WRWLRPLKAHZLFL-VWLOTQADSA-N 577.747 4.983 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)COc1ccc(I)cc1 223824009 PGCHAPIAGPVPNX-MRXNPFEDSA-N 540.829 4.800 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223945804 ZADKZFMEBKCYBL-IBGZPJMESA-N 668.596 4.777 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 223971058 DEBBXWQXJJTLOJ-MRXNPFEDSA-N 560.931 4.743 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 224116075 MBHIVWCAYGJABR-GOSISDBHSA-N 586.980 4.981 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 224128478 XMTOQUHJHNRUAE-DEOSSOPVSA-N 583.726 4.918 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 224426444 DYUGPFJBAFWMHB-NDEPHWFRSA-N 614.606 4.998 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c2cc(C)cc(C)c2)cc1OC 224497555 SNRDXSLTQCGGSW-SANMLTNESA-N 609.789 4.748 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 224668828 NWYNPCOVOMXJIB-SFHVURJKSA-N 556.075 4.641 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 224760017 VEGHPCYEQIAYLH-GDLZYMKVSA-N 549.737 4.741 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 224789710 YCTBUMQSOWQDCV-QHCPKHFHSA-N 556.556 4.956 0 40 KJAB CC(C)c1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 224841783 APLJLEKVPBISRG-NRFANRHFSA-N 531.694 4.581 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1cccc(I)c1 224962980 XFLBOCBLGDCRRT-UHFFFAOYSA-N 512.756 4.998 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 225022990 RFGSJTHSDAIHHJ-QFIPXVFZSA-N 646.604 4.914 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225077327 PFJWQPIKQUUJSK-SANMLTNESA-N 634.582 4.695 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 225141134 FIZNUBZGCKFGAQ-MUUNZHRXSA-N 595.762 4.850 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 225227391 JBPKZQUFRNYTRR-JOCHJYFZSA-N 580.589 4.946 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 225419387 IEQDPGVGHWGZOS-LJQANCHMSA-N 565.589 4.512 0 40 KJAB COC(=O)c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2OC)c1 225678382 SAKIMGBNMIKHBG-NSOVKSMOSA-N 555.660 4.669 0 40 KJAB COc1ccccc1OC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl 225807628 PAGBIYGBXKFJTF-MRXNPFEDSA-N 519.044 4.519 0 40 KJAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3cc(-c4csc(NC)n4)ccc3OC)ccc21 226095014 NUXFYYMQJCYGGF-UHFFFAOYSA-N 513.645 4.840 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 252527800 DJLNTCRLEVPJJT-ZBWWXOROSA-N 642.797 4.644 0 40 KJAB CC(C)CS(=O)(=O)N1CC2(CCN(CC(=O)Nc3nc(-c4ccc(F)cc4)cs3)CC2)CCC1(C)C 257247966 JBKRCKKZMUHDRO-UHFFFAOYSA-N 536.739 4.830 0 40 KJAB Cc1cc(C)cc(N(CCCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)c1 260764513 JBKNTDSRFPSUTI-JOCHJYFZSA-N 507.656 4.979 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)[C@H](C)C(=O)NCC(C)C 260893801 MNEPWJJCVVCGJT-JOCHJYFZSA-N 521.683 4.627 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1 260895216 SMWLPAULTBSWCZ-MUUNZHRXSA-N 614.606 4.997 0 40 KJAB COc1cccc(CN(C(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 261003794 QSDBFVBNZYHGQF-MUUNZHRXSA-N 623.772 4.525 0 40 KJAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1OC 408627326 ZEWNDIUKDJNXRU-UHFFFAOYSA-N 617.724 4.827 0 40 KJAB CCn1c(SCC(=O)Nc2ccccc2I)nnc1-c1cc(Cl)ccc1OC 408636441 XKZDELTXMMSGKN-UHFFFAOYSA-N 528.803 4.962 0 40 KJAB Cc1c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)ccc(Br)c1Cl 408652238 FZHPZCXGBMCSBR-LBPRGKRZSA-N 500.176 4.599 0 40 KJAB COc1ccc(N([C@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1Cl 408711563 XQPKGGGYPCQGEW-CYBMUJFWSA-N 525.907 4.860 0 40 KJAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 408714708 VXTURCUXMDQQNK-UHFFFAOYSA-N 531.078 4.747 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc(C(=O)OCC)cc3)c(=O)n2[C@H]1c1cccs1 408770200 UQEIUODUJOXSPJ-CMISJSSVSA-N 618.733 4.624 0 40 KJAB COc1c(Br)cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Br 408934624 MAJTXDUCOJNHCH-NVNXTCNLSA-N 500.574 4.967 0 40 KJAB COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1Cl 409021939 ARVRDVYEMSUFPT-ZMIGGIFCSA-N 516.022 4.536 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(C)C)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409037764 NLULEVIHGHFMTG-SZYVSPPHSA-N 594.730 4.638 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 409091043 SKYMORPURVGTPM-AWQFTUOYSA-N 581.416 4.602 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(C(C)C)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OC 409104929 LIMBMXVDYSODMV-RGFRMHDHSA-N 542.705 4.648 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)cc1 409111979 BDHDILPABQTHIP-UHFFFAOYSA-N 544.073 4.877 0 40 KJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(O)c(I)c3)C2=O)c1 409174778 OTSSBHWGSVJTKF-OVCLIPMQSA-N 620.206 4.585 0 40 KJAB CCCNC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 409313013 AOOUGYWGZGVOKY-UHFFFAOYSA-N 530.046 4.631 0 40 KJAB COC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc1Br 409328029 PFYZIFQGROPAAZ-RGVLZGJSSA-N 547.427 4.799 0 40 KJAB COC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)C1=O 409341223 ABPRQZCVLHYXMY-RGVLZGJSSA-N 547.427 4.799 0 40 KJAB COc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1Br 409382587 ULVXFUDSBOUUNT-ZDLGFXPLSA-N 566.271 4.841 0 40 KJAB COc1ccc2c(ccn2CCNC(=O)CCCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)c1 604405329 REVNDUCBMIHVIY-NDEPHWFRSA-N 642.753 4.835 0 40 KJAB biogenic CC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)CCc3nnc(C(C)C)o3)Cc3ccccc31)N2CC1CC1 643577308 IWYZSULTBJQOPA-RPBOFIJWSA-N 507.679 4.544 0 40 KJAB COc1cc2c(=O)c(-c3ccc(OC(C)=O)cc3)coc2cc1OC(=O)COCCOC(=O)COCC(=O)OCCOCC(=O)Oc1cc2occ(-c3ccc(OC(C)=O)cc3)c(=O)c2cc1OC 2060999807 QVBVNUZOADTKBY-UHFFFAOYSA-N 954.843 4.748 0 40 KJAB COC(=O)c1ccccc1NC(=S)N[C@@H](NC(=O)c1cccc(Br)c1)C(Cl)(Cl)Cl 727221 ZVLLASYTRMDWRZ-MRXNPFEDSA-N 539.666 4.648 0 40 KJAB COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCc5ccccc5)cc4)c(=O)n32)cc1 2665980 CLCVNJXVYHFIDG-LAUBZIAYSA-N 554.668 4.774 0 40 KJAB Cc1nn(Cc2ccc(C(=O)Nc3ccn(Cc4c(F)c(F)cc(F)c4F)n3)o2)c(C)c1Br 2739453 QDJOJSHJBAVMSC-UHFFFAOYSA-N 526.288 4.957 0 40 KJAB CC[C@@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn12)C(=O)Nc1ccc(OC)cc1 2969600 ISDPRBMFRAAPMO-HSZRJFAPSA-N 515.643 4.852 0 40 KJAB CCCCCn1c(SCC(=O)c2ccc(Cl)cc2)nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c1=O 4177710 NWCIOAIGRINKGS-UHFFFAOYSA-N 555.100 4.553 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@@H]2C)cc1 6511984 WXVNWAPVQCABGD-GBXCKJPGSA-N 538.732 4.504 0 40 KJAB Cc1nc(-c2ccccc2Br)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccc(N(C)C)cc2)n1 8623136 IMACMHIYULXWQI-FJIJXJHWSA-N 534.502 4.888 0 40 KJAB biogenic,in-vitro CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc3O)nc2c1 8835202 HGGPBAKUNQAMQC-UHFFFAOYSA-N 507.568 4.915 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)c(OC)c1 13024897 QSMRBHNUDXMPJH-HHHXNRCGSA-N 515.614 4.528 0 40 KJAB CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 13130131 WIEDHWZVNRYKOA-ZBEGNZNMSA-N 514.500 4.769 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 13495789 XHRUWQXLFYEANF-XMMPIXPASA-N 504.616 4.770 0 40 KJAB O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN21 18008796 DAQUNTKUSAKCBQ-KAOXLYBCSA-N 505.361 4.511 0 40 KJAB COc1ccc(CNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1OC 22429968 WDIVYVXMWOQTMI-UHFFFAOYSA-N 509.411 4.522 0 40 KJAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)C(O)c2cc(S(=O)(=O)Nc4cccc(C)c4)ccc2-3)c1 28467314 AGESNJHCTWMHGA-UHFFFAOYSA-N 520.632 4.967 0 40 KJAB Cc1cc(I)cnc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 32125072 HHBXARKXMTYXHB-UHFFFAOYSA-N 503.365 4.700 0 40 KJAB C[C@H](NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 85867980 XGCYPRYKAOGFEQ-AJYOZGBCSA-N 818.921 4.809 0 40 KJAB biogenic COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@H]4c2cc(OC)c(OC(C)=O)c(OC)c2)cc1 85875933 YKVMYRXASNYIPJ-SFHVURJKSA-N 532.501 4.558 0 40 KJAB biogenic CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2Cc2ccc(N3CCCC3=O)cc2)cc1 98005202 QKMPNXLHQZHNLR-MHZLTWQESA-N 584.698 4.517 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(C3CCN(Cc4ccccc4)CC3)[C@H](C(=O)NCc3ccccc3)c3ccc(F)cc3)n2)o1 100290229 BWIADHFGQTUBOS-XIFFEERXSA-N 621.717 4.932 0 40 KJAB CCOc1cc(C(=O)OCC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)ccc1OCC(=O)N1CCOCC1 103115739 QOLNOQJEWUWPQZ-UHFFFAOYSA-N 556.615 4.521 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N[C@@H](C)c3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 108447497 MOGURWAQQPKTTQ-MHPIHPPYSA-N 559.663 4.541 0 40 KJAB biogenic CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 150395756 HAJLJCGZORXECP-KUSDHMTMSA-N 636.682 4.911 0 40 KJAB COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(Br)cc2)cc1OC 206594469 KMEFCTZNSQYRQX-UHFFFAOYSA-N 532.441 4.958 0 40 KJAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 215984925 VBUXUALEMJPPBO-UHFFFAOYSA-N 528.439 4.726 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 222735771 OZIXWQMHLYGDKD-AREMUKBSSA-N 606.572 4.934 0 40 KJAB C[C@H](C(=O)NCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 222865210 DZFOYWRUKZWDIN-JOCHJYFZSA-N 593.652 4.878 0 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CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)ccc1OCc1ccc(I)cc1 409104752 FHVIBSYZMKMIAT-PVGUKEHMSA-N 567.401 4.867 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c2ccc(C)cc2)cc1 409112632 FKSHAPBGQQWJDE-UHFFFAOYSA-N 528.074 4.510 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4sc(C)c(C)c4C(=O)OC)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 409201599 WQVHQCIHIICJJU-KLKBWYFJSA-N 603.766 4.979 0 40 KJAB COc1ccc(CCc2nc(N3CC[C@@H]4[C@H](C3)[C@@H](c3ccc(F)cc3)CN4C(=O)C(C)C)ncc2C(=O)O)cc1 409412948 SZGDJNDECWZYOM-STROYTFGSA-N 546.643 4.585 0 40 KJAB COc1ccccc1CCC(=O)N1CCO[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCCCC2)C1 585282945 CBLHWLQXPYOQRP-GDLZYMKVSA-N 529.077 4.669 0 40 KJAB Cc1noc(C)c1-c1ccc2c(c1)Cc1cccc(c1)CN(C(=O)COc1cccnc1)CCOCCO2 643555465 SWEWDCCEBMANRA-UHFFFAOYSA-N 513.594 4.761 0 40 KJAB Cc1cc(C)n(CCCC(=O)N2CCC[C@]3(CO[C@H]4c5ccccc5O[C@](C)(CCC(=O)O)[C@@H]4C3)C2)n1 2037854229 BJXISBAPWJFMDX-GSDPDGKRSA-N 509.647 4.683 0 40 KJAB 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COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1OC 224258601 QBPVHHSCZLCMGX-UHFFFAOYSA-N 521.060 4.909 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 224334044 CIHLEZBGZABTNA-MHZLTWQESA-N 616.180 4.678 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 224377995 NYYKTFMRILXQIN-RUZDIDTESA-N 560.091 4.926 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 224528651 YKMYRSMHMRIOHN-VWLOTQADSA-N 602.540 4.694 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 224571353 VHUPRBPHEJOHNX-GDLZYMKVSA-N 623.772 4.774 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 224589937 QDYPQBHESOTCRF-MUUNZHRXSA-N 586.154 4.589 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 224677910 APJLFEZHACUILG-VWLOTQADSA-N 565.736 4.759 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)[C@@H](C)C(=O)NC1CCCCC1 224689985 DNMXPPPSUKTSED-IBGZPJMESA-N 554.540 4.934 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 224769924 JSYROCRUHKTQHH-AREMUKBSSA-N 533.710 4.568 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 225136877 QSUJXDINXXVMRA-NDEPHWFRSA-N 551.709 4.533 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 225223927 JAYXQVUXAHHNNC-HZPDHXFCSA-N 566.017 4.596 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 225297917 NCFQKBQHMBGUHC-LSDHHAIUSA-N 566.910 4.884 0 40 KJAB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)ccc1NS(C)(=O)=O 225423347 OHHVOIMFESFZPL-DNQXCXABSA-N 513.689 4.638 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 225470566 DPEAZDUBZUUPNN-GDLZYMKVSA-N 567.727 4.765 0 40 KJAB Cc1c(Cl)cccc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O 225602318 YCWCDRALFWFDAM-INIZCTEOSA-N 548.920 4.663 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(Br)cc1 225722374 ZFFZHXLFCUPVIG-MRXNPFEDSA-N 526.269 4.780 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 225751526 MVYSGSPQKJINQR-NDEPHWFRSA-N 614.606 4.936 0 40 KJAB O=c1sc2cc(S(=O)(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2n1Cc1ccccc1Cl 225799122 HJZDXWNENLKOGZ-UHFFFAOYSA-N 578.137 4.740 0 40 KJAB Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cc4noc(C(C)C)n4)cc3)cc2)c1 226084691 MRRXZAWMNMCYAE-UHFFFAOYSA-N 520.611 4.911 0 40 KJAB O=C([C@H]1CCCO1)N1CCC(N2CCC(N(C(=O)C3CCCCC3)c3ccc(C(F)(F)F)cn3)CC2)CC1 245171823 XWWWQYSMHGAOEJ-XMMPIXPASA-N 536.639 4.648 0 40 KJAB CN(Cc1ccccc1)C(=O)C[C@@]1(COc2ccccc2)CCCN(S(=O)(=O)c2ccc(F)cc2)C1 257235016 GWADMVJIGXHFIG-NDEPHWFRSA-N 510.631 4.724 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)NC(C)C)c2ccccc2)cc1 260713696 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KJAB CCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1NC(=O)c1ccccc1 408557159 LPWPDKFVBPEBMY-UHFFFAOYSA-N 522.364 4.743 0 40 KJAB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 408651184 NEEKIGWXQFAXPR-ZOCIIQOWSA-N 503.382 4.806 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408824325 HYLXHOIINGYMGB-IGSWSUAKSA-N 555.494 4.656 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c2=O)=N1 408830703 ODBTVCZMSKAUGB-KLKBWYFJSA-N 704.583 4.779 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cccs2)n2c(s/c(=C\c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)c2=O)=N1 408844076 UWSHEYXIROGTFD-YNMQQHPQSA-N 618.733 4.926 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OC(C)C)cc4C)o3)c(=O)n2[C@@H]1c1cccs1 409118838 RDVDVZXGQIXAJK-KMBIYUNPSA-N 576.696 4.993 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(I)c1OCc1ccccc1F 409134279 ONQQDLOVPCVDEP-RQZCQDPDSA-N 557.337 4.529 0 40 KJAB COC(=O)c1c(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)sc2c1CCCC2 409138785 HYBXPZDIBVFQIU-UHFFFAOYSA-N 516.616 4.695 0 40 KJAB CCc1cccc(C)c1NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 409174459 UIEFCFXGTDEOAE-UHFFFAOYSA-N 534.419 4.996 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc(I)c1O 409374542 SFDKFPRZCFEDPX-VCHYOVAHSA-N 566.417 4.996 0 40 KJAB Cc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)c1 409380149 JFSPKRZFGXOUKQ-SFTDATJTSA-N 516.333 4.776 0 40 KJAB COc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409389511 BSSMMYDQPBTYIY-FMCGGJTJSA-N 629.451 4.844 0 40 KJAB COC(=O)c1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1 906042 NSAJIDODWLTOMC-NDEPHWFRSA-N 543.599 4.580 0 40 KJAB O=C(O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 2068166 FOMULFRQQVCHJJ-KVEMZPMDSA-N 553.206 4.795 0 40 KJAB COc1ccc(OC)c(NC(=O)Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3cc(OC)ccc32)c1 2688531 FGCZGZXYPNEHKF-UHFFFAOYSA-N 506.942 4.550 0 40 KJAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1 3348025 WDYPZOHANHDYNF-CCEZHUSRSA-N 512.591 4.921 0 40 KJAB COc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1OC 8625071 ATIPCEHIGQVDDK-DHLKQENFSA-N 501.023 4.779 0 40 KJAB C[C@@H](C(=O)NCC(c1ccccc1)c1ccccc1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8918052 PMPANDGRNKWFKA-GEFUHLBYSA-N 506.606 4.540 0 40 KJAB biogenic CCOC(=O)c1c(NC(=S)NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)sc(C)c1C 9358200 FMOHZKLODCBTAO-UHFFFAOYSA-N 523.636 4.584 0 40 KJAB COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCCc4ccccc43)n2C2CCCCC2)cc1 9390792 GAFLZMCHRWCLIJ-UHFFFAOYSA-N 519.671 4.793 0 40 KJAB CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2OC)cc1 12713993 BCAAXHUPFUHXKA-HHHXNRCGSA-N 515.614 4.528 0 40 KJAB COc1ccc(C)cc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCCC(C)C)c1ccc(C)o1 13031558 UVGIPWZIAQJKTM-MHZLTWQESA-N 503.603 4.587 0 40 KJAB O=C(COC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)Nc1c(Cl)cccc1C(F)(F)F 13098063 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CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 224237090 RUDXMHPETWKWLD-IBGZPJMESA-N 542.529 4.729 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 224268508 IJNRHQOFRWCSRJ-HHHXNRCGSA-N 541.758 4.925 0 40 KJAB Cc1ccc(CN(C(=O)CCCN2C(=O)c3ccccc3C2=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 224281369 WVMDABLDRXTYSV-MUUNZHRXSA-N 539.676 4.926 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 224804805 DWWSHVADSIFWFM-QGZVFWFLSA-N 558.503 4.765 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 225074754 OIZZUANRURRLNM-NDEPHWFRSA-N 535.710 4.832 0 40 KJAB CCn1c(=O)sc2cc(NC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4)c4cc(C(C)(C)C)ccc4O3)ccc21 225109510 LZWHXVUJRVURIL-DEOSSOPVSA-N 551.690 4.975 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 225274206 IHQXHCBSVVAXMC-RTBURBONSA-N 542.529 4.872 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 225331081 QTGWSNVYPJWLIJ-XMMPIXPASA-N 572.555 4.882 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 225339866 BGDOQAJIDJAVSN-SANMLTNESA-N 608.599 4.788 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 225390146 NSQXHAAPPLYYOP-XZOQPEGZSA-N 569.699 4.670 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](CC)C(=O)NC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 225711147 UWRVNDVNUMIMOC-NDEPHWFRSA-N 569.699 4.752 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 225752012 IOLYUQKSABYBET-NDEPHWFRSA-N 600.181 4.835 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2c(CC)cc(Br)cc2CC)cc1C 226057795 XPAMQIISVHLKLX-UHFFFAOYSA-N 511.482 4.930 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](Sc4[nH]c(=S)sc4[C@H]3c3ccc(OC)cc3)C2=O)cc1 239386665 PWMUKQAOIMUUIX-YQVWRLOYSA-N 512.634 4.787 0 40 KJAB 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BXTNCNBSFRNATM-VWLOTQADSA-N 509.488 4.877 0 40 KJAB CCOc1ccc(N(CC(=O)N(C)C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)cc1 22518872 VZKJXHJNWSNRPC-UHFFFAOYSA-N 509.466 4.834 0 40 KJAB O=C(NCCCN1CCN(CCCNC(=O)Nc2ccc(Br)cc2)CC1)Nc1ccc(Br)cc1 22584804 NPEOEWIHBHMVES-UHFFFAOYSA-N 596.368 4.553 0 40 KJAB O=C(CCCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 33357873 JWBPHIVMDWPDGG-UHFFFAOYSA-N 563.598 4.877 0 40 KJAB O=C1C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)c2c(nc(Nc3cccc(C(F)(F)F)c3)[nH]c2=O)N1 40400327 AVFQBOVDWLNVIM-LBPRGKRZSA-N 512.275 4.904 0 40 KJAB C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3C(=O)[C@H](Br)[C@@H]4C[C@H](C(=O)O)CC[C@]4(C)[C@@H]3C[C@H](C(=O)O)[C@]12C 68569364 BHRXAICFKZIDHZ-WBPHJCHRSA-N 541.479 4.710 0 40 KJAB C[C@@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(Cl)c3)N2C1=O)C(=O)O 70699739 JCNLHCQPZWWHQO-AWKKRCEGSA-N 542.979 4.507 0 40 KJAB biogenic Cc1ccc(OCC(=O)Nc2cc(-c3ccc(OCC(C)C)cc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C 80345622 FVMOOAMFXKIGLK-JOCHJYFZSA-N 511.644 4.579 0 40 KJAB CC[C@H](NC(=O)Cc1c(C)c2cc3c(-c4ccc(F)cc4)coc3cc2oc1=O)C(=O)NCCCCCC(=O)O 97957041 VOWIACPFWOCPHV-DEOSSOPVSA-N 550.583 4.852 0 40 KJAB O=S(=O)(NC1CCCCCC1)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 100176676 IHDWAGZFCXBNCG-UHFFFAOYSA-N 533.741 4.866 0 40 KJAB Cc1cc(NC(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(C5CCCCC5)cc4)[C@H](C(=O)NC(C)(C)C)[C@@]34C=C[C@]2(C)O4)no1 100431689 YQVPVMDKMYDRSY-PVXRVDCISA-N 546.668 4.629 0 40 KJAB COc1cc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3c3cccnc3)cc2)cc(OC)c1OC 100818864 UXDCAHXIBHNKTD-WXQAMHPUSA-N 537.638 4.675 0 40 KJAB biogenic CCOC(=O)c1sc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4Cl)[C@H]3C2=O)c(C(=O)OC)c1C 102481960 GSQZDYYGRHMAIA-HKBOAZHASA-N 555.008 4.724 0 40 KJAB COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2N=N[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)cc1 102819948 MNJMXAATCRDCLC-LOAGWBBBSA-N 558.598 4.520 0 40 KJAB COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)/C(=C\Nc3ccccc3O)c3ccccc3C2=O)c1 102889142 QJFFLUBHTVLVLH-NKFKGCMQSA-N 541.585 4.842 0 40 KJAB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(O)c(Br)c5)c(=O)n42)c2ccccc2CC3)cc1 197908152 VTDCTQHWBTXJAJ-LMSRTUJASA-N 545.458 4.795 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 222406659 DKLLVPMIZGSNAT-XMMPIXPASA-N 555.663 4.892 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 222806470 XEUOQMIHNUQQOS-GDLZYMKVSA-N 565.736 4.839 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 222815182 CZSHWCCTAWWZLE-LJQANCHMSA-N 578.518 4.669 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 222951652 BNXBLJUHZKAJMA-VWLOTQADSA-N 535.710 4.832 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 223111697 RIAPEVOZQVBLBC-DEOSSOPVSA-N 548.492 4.742 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 223115853 DIIQORYDDVUFTN-GDLZYMKVSA-N 549.737 4.626 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 223370873 XNCVWKUARPUPNB-LJQANCHMSA-N 572.555 4.882 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 223444034 UHTLGOAJENRDFR-QHCPKHFHSA-N 569.699 4.672 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(CC)cc1Br 223456571 AUSQJWPDJOMWGX-GOSISDBHSA-N 505.453 4.733 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223526555 ZYNXQWOGMRCVFP-QFIPXVFZSA-N 600.565 4.643 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 223582155 YBYDUPKQQYQIBQ-AREMUKBSSA-N 576.491 4.602 0 40 KJAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 223864374 KAPWRMPVYAFCKN-OAQYLSRUSA-N 527.027 4.595 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223894599 FMBFOMUEONKHGV-OAQYLSRUSA-N 632.577 4.605 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223934461 ATXPYTZTEFLBQL-CLOONOSVSA-N 602.540 4.693 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 223987078 SOQGHWUTQSXVSJ-NGQVCNFZSA-N 579.763 4.578 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 224039979 UOUSRSZKMNRQLA-MUUNZHRXSA-N 570.155 4.889 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN1C(=O)c2ccccc2C1=O 224056618 SAUQCYJDHUWERF-MUUNZHRXSA-N 525.649 4.538 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224263130 JZLTVIFYGVGNIA-HSZRJFAPSA-N 541.636 4.504 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 224400832 ZCPBWTLTGHBZEG-SANMLTNESA-N 531.694 4.547 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 224402893 NTKSUGBHHUADAL-HHHXNRCGSA-N 600.579 4.544 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 224470719 NEPKSIGGFPUSDX-HSZRJFAPSA-N 542.529 4.792 0 40 KJAB Cc1ccccc1CN(C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1)[C@@H](C)C(=O)NC1CCCCC1 224699832 RFHVPZJNOBSMJE-QHCPKHFHSA-N 535.710 4.635 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(I)cc1 224734214 UAGZTXLPQINGTI-NRFANRHFSA-N 542.845 4.903 0 40 KJAB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225004626 WAZZMXBCZXKAGS-OZNIXHKMSA-N 606.561 4.789 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 225022935 WGQAPEDTIDXWNF-GDLZYMKVSA-N 605.757 4.909 0 40 KJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 225044932 GCAWMJQTMODRKG-QHCPKHFHSA-N 556.128 4.830 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)N[C@@H](C)CC)S(C)(=O)=O 225165512 WGKSZIIXYIPDGQ-SFTDATJTSA-N 552.137 4.617 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 225201410 HWYZWGJTQFGCOQ-LEWJYISDSA-N 522.111 4.527 0 40 KJAB CCSc1nnc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3cc(C(C)(C)C)ccc3O2)s1 225207187 XUTPKPZWRHACPJ-LJQANCHMSA-N 518.686 4.543 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(OC)cc2)cc1 225223064 YVIYMQZXDSMUBE-SXOMAYOGSA-N 513.623 4.643 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 225249074 AGDIJZZVHRWFAI-QHCPKHFHSA-N 542.529 4.873 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225474532 HIDRAVOLJFMFBS-AJTFRIOCSA-N 599.725 4.760 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCC2(c3ccccc3)CCOCC2)c2cccc(Cl)c2)cc1 225828730 CJLYMRCPVYVSTQ-UHFFFAOYSA-N 513.059 4.708 0 40 KJAB CC(C)Cc1cc(C(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(=O)N3CCCCC3)C2)n(C)n1 257228368 FTNZIECRPGYSNB-NDEPHWFRSA-N 515.098 4.976 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@H](CC)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 260707613 PQOKGJSXWUSAID-SSEXGKCCSA-N 595.762 4.930 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1Cl 260737221 LMZNOWPWJOMWIC-JOCHJYFZSA-N 542.101 4.786 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 260883529 CFWWKNDOUPHKPQ-ZEQRLZLVSA-N 611.761 4.548 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 260979881 NXEKCQSUGFQNEZ-MOPGFXCFSA-N 542.529 4.708 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 261001742 FJHRKISHZPGZSP-DFHRPNOPSA-N 616.180 4.678 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 261011250 UJTCIXSOAOCUIK-FPOVZHCZSA-N 552.137 4.535 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 261016123 VIJVUMXXPBOSHQ-DQEYMECFSA-N 535.710 4.831 0 40 KJAB 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COc1ccc(CCNC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1OC 409089484 MNXUNNMRAPTMRQ-UHFFFAOYSA-N 581.916 4.670 0 40 KJAB O=C1Nc2ccccc2S/C1=C\c1cc(I)cc(I)c1O 409108915 WYGNVFBJTVLUST-MLPAPPSSSA-N 521.117 4.687 0 40 KJAB CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 409134283 OOEVJEYIKOGMJO-KRWDZBQOSA-N 506.657 4.952 0 40 KJAB O=C(COc1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1Br)N1CCOCC1 409381444 GZTSRYHQGNTQJK-JAIQZWGSSA-N 569.836 4.716 0 40 KJAB O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(Br)cc1Cl)c1ccccc1 409388714 WKFAWASWJIRTNS-WOJBJXKFSA-N 546.757 4.577 0 40 KJAB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)Nc2cccc3ccccc23)c1 409388850 WSQIDEYIBAIYKY-FTJBHMTQSA-N 511.530 4.931 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)CCc3ccc(F)cc3)CCO2)C1=O 643557322 VCPINAXJJQXTIP-SSEXGKCCSA-N 510.650 4.790 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc2-3)cc1 725839 UPGFKQARNGEPSU-UHFFFAOYSA-N 550.614 4.517 0 40 KJAB CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 905897 JRTIJVYAEMPDHX-GDLZYMKVSA-N 509.610 4.857 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(F)cc2)cc1OC 982760 UGIMMYYTZTYGDL-UHFFFAOYSA-N 512.481 4.696 0 40 KJAB Cn1c(CNS(=O)(=O)c2ccc(Br)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 1388277 RUOHXFKODGEGBD-UHFFFAOYSA-N 522.277 4.655 0 40 KJAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(CN2CCN(c3ccccc3F)CC2)c1 2139730 WMPSEVNCLVTXND-GDLZYMKVSA-N 500.618 4.882 0 40 KJAB biogenic CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C\c3cccc(OC)c3)c2=O)=N1 2149156 JORKQNASMPJDPL-QPWQWLJXSA-N 542.657 4.749 0 40 KJAB Cc1c(NC(=O)COC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C 3286037 ZFDQNNGDELKZNM-VHEBQXMUSA-N 533.588 4.532 0 40 KJAB COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)/C(=C\Nc3ccccc3C(=O)O)c3ccccc3C2=O)c1 6238584 OJJZKRCYYUNNFG-MOHJPFBDSA-N 569.595 4.834 0 40 KJAB COc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccnc4)=NN32)c(C(=O)O)c1OC 8738760 RAUMHIVJGZWINU-FDDCHVKYSA-N 510.344 4.802 0 40 KJAB CCOc1ccc(-n2c(CNC(=O)c3ccccc3)nnc2SCC(=O)Nc2nc3ccccc3s2)cc1 11852473 LUVIIGYOQWRRRR-UHFFFAOYSA-N 544.662 4.937 0 40 KJAB O=C(O)C[C@@H]1CCN(C(=O)C2CCCCC2)C[C@@H]1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 12481605 XDARYFQLQJZGRY-VXKWHMMOSA-N 509.613 4.737 0 40 KJAB biogenic,in-vitro CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(CCc2cccc(C)c2)C(=O)Cn2nnc3ccccc32)cc1 12713810 OZJHJAHVARZKCA-LJAQVGFWSA-N 527.669 4.866 0 40 KJAB CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 13495081 IGOVKSYUDMDRIL-JOCHJYFZSA-N 506.582 4.681 0 40 KJAB COC(=O)c1cccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)c1C 14153713 GWDGDUGNBLUAJX-UHFFFAOYSA-N 507.395 4.922 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1C 22247514 ZULNPYBWXDYQMM-YADARESESA-N 501.048 4.814 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2ccnc2C)c2cccc(C)c2C)cc1 30872308 SWRRJTDFYVSMDM-UHFFFAOYSA-N 502.640 4.618 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1OC 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CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC 101177505 IFYYYSKSSMBLCP-VJGNERBWSA-N 502.567 4.934 0 40 KJAB CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)c2ccc(Cl)cc2Cl)c1 102213591 XLSCITFHRSRVRT-UHFFFAOYSA-N 536.393 4.528 0 40 KJAB CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(OC)cc1OC)C(c1ccc(Br)cc1)=N2 102244073 YCGCMYHYGPSIGQ-UHFFFAOYSA-N 545.503 4.851 0 40 KJAB COC(=O)CNC(=O)CN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H](N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C 102413331 UHRURDPGFOSFKH-HXUWFJFHSA-N 607.278 4.859 0 40 KJAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1O 103010253 LBZBBYJWPICQCU-UHFFFAOYSA-N 539.510 4.616 0 40 KJAB O=C(O)CCC(=O)[C@H](Br)[C@H](Br)[C@H](Br)[C@H](Br)c1ccccc1 103210429 ZFYWEJVEJQYYRR-RQJABVFESA-N 549.879 4.847 0 40 KJAB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(Br)c(O)c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 104657470 QXCJXPPGQCMPQX-RISWYLRJSA-N 575.484 4.804 0 40 KJAB CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccc(OC)cc4)CC3)cc2)c1 105352916 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COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)[C@H](C(=O)NCC(C)C)c2ccccc2)cc1 223529506 DAFWJHCJXGKKBB-LJAQVGFWSA-N 504.627 4.797 0 40 KJAB COc1ccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1OC 223754570 ABNTYTXJAQNTJP-UHFFFAOYSA-N 526.655 4.526 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 223913535 VHLRFWPYMHQISZ-SFHVURJKSA-N 540.513 4.544 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 223961865 ZGVZXZAIEYXWCJ-LJQANCHMSA-N 572.525 4.835 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 224026337 RBKTZFQAGGBBPE-HHHXNRCGSA-N 545.746 4.582 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224103286 HSLXEJYRVRSRDD-SANMLTNESA-N 542.101 4.787 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 224128915 DHAOKUZRYVCUEI-NDEPHWFRSA-N 570.155 4.889 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c(OC)c1 224333967 FBOJSFOLSGFMJD-MHZLTWQESA-N 616.180 4.678 0 40 KJAB O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224361907 VHTCKLCIIZJSPU-UHFFFAOYSA-N 660.136 4.924 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 224383909 HVOYOXAZELNPSX-MUUNZHRXSA-N 614.606 4.998 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 224403330 CNSOMJMGACVKLJ-MHZLTWQESA-N 590.518 4.992 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 224553840 ZWJGWKUBICWEFD-MHZLTWQESA-N 557.757 4.724 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1 224855595 JOZPXYYXQPQHNT-NDEPHWFRSA-N 570.155 4.888 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 225070559 MQYPHMHHDKUGIJ-JWQCQUIFSA-N 565.736 4.839 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3CC)S(=O)(=O)c2ccc(Cl)cc2)cc1 225085794 OPBQFAFYONZFOP-UHFFFAOYSA-N 546.070 4.969 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 225087788 MRQDQZXTQZGWDK-SANMLTNESA-N 633.552 4.820 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 225172764 FTFVUHMOPFEEPP-HSZRJFAPSA-N 569.699 4.753 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCOc1ccc(OC)cc1 225252405 HHZWBYVEPLBSBK-LJQANCHMSA-N 505.453 4.950 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1OC 225277684 RERHQYQECMWSAW-PMERELPUSA-N 621.800 4.867 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225331994 RFWYORRNJJAYMJ-ZWKOTPCHSA-N 586.538 4.600 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225539915 RYWOXUVOEWLDAU-XMSQKQJNSA-N 542.529 4.790 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 225602731 OUPUTCMYAUPEMM-SFHVURJKSA-N 550.508 4.855 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 225716044 JEDXSOBXBKRVMV-WZONZLPQSA-N 542.529 4.644 0 40 KJAB COc1cccc(N(C)C(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2cc(C)ccc2OC)c1 226057840 SQXAMUWLUXOLPE-UHFFFAOYSA-N 519.019 4.533 0 40 KJAB CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc(O)c([C@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1)CO 229937895 HEECQDWUNPZALD-IOQKDAGMSA-N 606.797 4.582 0 40 KJAB biogenic,in-vitro CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c2ccc(C)cc2)cc1 260884724 JMRFCZSBYKXXKS-JWQCQUIFSA-N 565.736 4.921 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 260972820 ACWOBVIMLFDERG-NJHZRGNWSA-N 609.789 4.805 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 261006513 SPCXMBWJRNHEQY-RPWUZVMVSA-N 641.787 4.638 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 261009306 TZFYOTVVIODEJO-RTWAWAEBSA-N 555.663 4.892 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 261059212 NLVKUDIKWPTALV-GIGWZHCTSA-N 567.727 4.763 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1cccc(C(F)(F)F)c1 408592236 KUHSCGPOTXJTNL-UHFFFAOYSA-N 561.626 4.562 0 40 KJAB COc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1NC(=O)c1ccccc1F 408592980 LIBGYERNVCCHEW-UHFFFAOYSA-N 537.535 4.616 0 40 KJAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)cc1Cl 408671743 UKMGSWMNJOWRRH-LBPRGKRZSA-N 500.176 4.599 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCC)c(=O)n2[C@@H]1c1cccs1 408765971 CDHSWMNJVCZOMS-WSDUQJHMSA-N 659.365 4.626 0 40 KJAB CCOC(=O)Cn1c(C)c(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c2ccccc21 408809718 HQYWFSNWEHZDBU-POKSHJSXSA-N 590.705 4.700 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408857566 KVIHCOFHCPPXPW-PDUUCECCSA-N 664.578 4.526 0 40 KJAB COC(=O)c1ccc(NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 408937037 MEHIALREXBJYIH-UHFFFAOYSA-N 507.395 4.610 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cccc(OC)c3OCc3ccccc3F)c2=O)=N1 409033137 DUJBKAYUWNRYOG-CSJROMOCSA-N 558.631 4.525 0 40 KJAB COC(=O)Cc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Sc5ccccc5)o4)c(=O)n32)cc1 409088838 KRNBCHVSAPJBMF-HONNWAMPSA-N 588.707 4.647 0 40 KJAB O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1 409111307 BMXJMBHJMGHABV-UHFFFAOYSA-N 514.647 4.815 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(s/c(=C3\C(=O)N(Cc4ccccc4)c4ccccc43)c2=O)=N1 409117390 NGGLESKGRMRHIF-SUUDBTLLSA-N 588.714 4.852 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(F)F)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409172825 FXNIKTCQFGVWJB-VEOZPNHKSA-N 577.653 4.867 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3ccc(OC(F)F)c(OC)c3)c2=O)=N1 409175146 QPUGOOMXIRLAIV-RWTNITNYSA-N 637.499 4.960 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccc(F)cc2)cc1OC 409179733 SDVCYTXFHYESRZ-UHFFFAOYSA-N 603.716 4.972 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2ccc(O)c(I)c2)C1=O)c1ccc(Br)cc1 409225109 OYXQTZAWVITELS-PXNMLYILSA-N 544.164 4.679 0 40 KJAB O=C(CSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2s1)NCCOc1ccc(Cl)cc1 409337913 ZIFYCXFNLMZVBV-RTBURBONSA-N 530.071 4.917 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Br)c1O 409385967 MVIOXTKLOBYXNV-NTUHNPAUSA-N 561.204 4.932 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3cnc4ccccc4c3)CCO2)C1=O 643557565 XVDQOMABCNYTAD-WJOKGBTCSA-N 515.654 4.880 0 40 KJAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)[C@@H]2COc3ccccc3O2)c2ccc3c(c2)OCO3)o1 931094 WOJHTOVONSLLAC-SVBPBHIXSA-N 518.566 4.680 0 40 KJAB O=C(CCCCCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)OCC(=O)c1ccccc1 2078992 BVLCAUZJXAIOQC-RAWLKHAVSA-N 507.586 4.865 0 40 KJAB Cc1ccc(S(=O)(=O)NCCC(=O)Oc2cc3oc(=O)c(Cc4ccccc4)c(C)c3cc2Cl)cc1 2415009 ZAAZZHLGGNWNAB-UHFFFAOYSA-N 526.010 4.928 0 40 KJAB O=C(NCc1ccccc1)c1ccccc1NS(=O)(=O)c1cc(Br)ccc1Br 3422855 HKISTUDULQQATI-UHFFFAOYSA-N 524.234 4.942 0 40 KJAB NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2c1CCCCC2 4177336 XYJHYFKOQMYDBA-UHFFFAOYSA-N 509.653 4.510 0 40 KJAB CCOC(=O)[C@@](O)(c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c(C)c1)C(F)(F)F 8691944 HNJFNNBIALTGRO-IBGZPJMESA-N 509.333 4.742 0 40 KJAB COc1ccc([C@H](CNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)N2CCCC2)cc1 12526140 HADBTEMVDIMDLW-SANMLTNESA-N 511.619 4.510 0 40 KJAB C[C@H](OC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)C(=O)Nc1ncc(Cl)cc1Cl 12616700 MWFVFAGVCMZVAZ-LBPRGKRZSA-N 512.346 4.512 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 13024609 WLGHOFRWYGTKNX-HHHXNRCGSA-N 517.605 4.654 0 40 KJAB COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)c1OC 13026011 XIZODHKZULJOLT-RUZDIDTESA-N 506.555 4.515 0 40 KJAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccccc2OCc2ccc(F)cc2)c1 17086324 MYJQZPFZVIXHFP-SANMLTNESA-N 515.545 4.941 0 40 KJAB Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N4CCC[C@H]4C(=O)O)C(=O)N32)cc1 38139933 ZXKWIJYSLSNFLY-NSVAZKTRSA-N 548.599 4.648 0 40 KJAB biogenic CCc1nn2c(ncc3c(=O)n(NC(=O)COc4cccc5ccccc45)ccc32)c1-c1ccc(F)cc1 40396826 DKTWNKVDINRDJN-UHFFFAOYSA-N 507.525 4.715 0 40 KJAB O=C(c1cccc(Cl)c1)N1CCN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)CC1 64789767 WWNZEWUPEZAJNM-UHFFFAOYSA-N 514.028 4.852 0 40 KJAB COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)C[C@@H]4c2ccc(OC)c(OC)c2OC)cc1 85877757 NEVJBBPYEUSPRQ-GOSISDBHSA-N 518.518 4.944 0 40 KJAB biogenic COc1cccc(CN2c3ccccc3-c3nc(SCC(=O)Nc4ccc(F)cc4F)ncc3S2(=O)=O)c1 100033002 RXZYIYSOLRSIPZ-UHFFFAOYSA-N 554.600 4.870 0 40 KJAB CC(=O)c1ccc(N(C(=O)CSCC(=O)Nc2cc(C)on2)[C@@H](C(=O)NC2CCCCC2)c2ccco2)cc1 100285815 YUUIQLIHKMVDDN-HHHXNRCGSA-N 552.653 4.674 0 40 KJAB CCOc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)cc2)cc1 100363001 SLCSRVZPNFOWMP-WJOKGBTCSA-N 549.631 4.930 0 40 KJAB COc1cccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2ccc(C)cc2)S3(=O)=O)c1 102451125 QASGDUKYTZYHNL-UHFFFAOYSA-N 532.647 4.900 0 40 KJAB CCOc1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC2=NCCS2)c1 102834475 IKOMOVOHEYJHFL-UHFFFAOYSA-N 530.071 4.967 0 40 KJAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 102966113 QFYZCRJHPMBPQZ-GOSISDBHSA-N 535.419 4.608 0 40 KJAB O=C(NC[C@@H]1CCCO1)[C@H](Sc1nnc(S[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)s1)c1ccccc1 105748219 CFAOHVPTCDLBFA-CJRSTVEYSA-N 584.789 4.795 0 40 KJAB COc1ccc2[nH]cc(CCNC(=O)[C@H](C)Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)c2c1 108447592 VBAWGYYYTMDPOT-VKGTZQKMSA-N 628.726 4.512 0 40 KJAB biogenic CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OC)c(I)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 163260780 RJEAYWKOIULKFS-OXIKZWMZSA-N 652.510 4.557 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(I)c3)c(=O)n2[C@@H]1c1ccccc1Cl 163914707 UDBZJCSNJMXDDU-ZMUHTPIZSA-N 720.754 4.670 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)c(=O)n2[C@H]1c1cccc(OC)c1 164843378 IIGVAJJQZWDYQX-PIXWUVMMSA-N 663.546 4.847 0 40 KJAB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCCSCc1ccccc1F 215854326 JDQKVAJWSFBZEO-UHFFFAOYSA-N 537.476 4.833 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 222419664 NXMRDSJAKYRLOQ-HHHXNRCGSA-N 565.736 4.839 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 222506150 SVVYMGLFELSGNF-PMERELPUSA-N 591.680 4.855 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 222558651 NFBPPJLNSWTNEL-AREMUKBSSA-N 542.101 4.867 0 40 KJAB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NCc1cccc2ccccc12 222845160 STHLKPYXDADVAC-UHFFFAOYSA-N 556.425 4.956 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 222911472 JMEFVMUDWZUBRV-LJAQVGFWSA-N 565.736 4.573 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 223291991 WHQSCOXBGDILAN-HSZRJFAPSA-N 578.518 4.751 0 40 KJAB Cc1cccc(C)c1N(Cc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1)S(C)(=O)=O 223312912 JVKGDLXRNUIFIC-UHFFFAOYSA-N 504.612 4.592 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223325726 AAKABEXLMAFMCD-LJQANCHMSA-N 600.565 4.644 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 223667598 MHAPUSFAXACQQR-VWLOTQADSA-N 598.499 4.814 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 223727312 FMJPPZXALGIHKU-XMMPIXPASA-N 566.562 4.556 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 223880091 XUSIEBSCHYRJGB-INIZCTEOSA-N 578.028 4.740 0 40 KJAB CCOc1ccccc1N(CC(=O)NCCOc1ccc(CC)cc1)S(=O)(=O)c1ccc(SC)cc1 223909283 YVZNLRFPNDIEJB-UHFFFAOYSA-N 528.696 4.760 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223949993 TYUWODUPWMZZGA-KRWDZBQOSA-N 542.529 4.610 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 224040417 BZHHARIWAAOKNQ-NDEPHWFRSA-N 570.155 4.889 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1OC 224500970 UCPILMISODYNNT-SANMLTNESA-N 660.631 4.787 0 40 KJAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 224563193 GXCAPCIOGDOUEY-LJAQVGFWSA-N 536.097 4.876 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 224671970 OQXQQDYICMZIEH-QFIPXVFZSA-N 586.552 4.896 0 40 KJAB COc1cc(OC)cc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224838612 MEGXHMBMPXXGNO-NDEPHWFRSA-N 504.627 4.556 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 224887791 FRGKBKFLYDZVSP-SANMLTNESA-N 667.997 4.875 0 40 KJAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccccn2)cc1OC 225196728 FVJIIXCZPMOLHR-KAYWLYCHSA-N 512.639 4.861 0 40 KJAB CN(C)S(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccc(F)cc1 225406681 XZDOFGZHXYUJQG-PMERELPUSA-N 612.743 4.667 0 40 KJAB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)ccc1NS(C)(=O)=O 225441089 HYAXJJQGWJZLPM-RPWUZVMVSA-N 511.673 4.555 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 225562775 RNTLPBRULDNIED-HNNXBMFYSA-N 568.445 4.720 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1Cl 225602353 ORXNPXVVIIWIKJ-INIZCTEOSA-N 548.920 4.663 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCO2 225655892 HFBDXYZECXHQSX-MHZLTWQESA-N 516.638 4.913 0 40 KJAB O=C(NCCc1ccccc1)[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c2ccccc2O1 225904444 UQJLBJCRPUPUER-YWEHKCAJSA-N 518.057 4.705 0 40 KJAB C[C@H]1C[C@H](C)CN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCc3ccc(F)cc3)n2)C1 225948562 OVCAVUZZBJVQPP-VXKWHMMOSA-N 533.721 4.911 0 40 KJAB 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0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 223444367 NQWDEBVBDLRFDF-RUZDIDTESA-N 595.762 4.931 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 223518576 GONYSEFFLLUNBG-AREMUKBSSA-N 620.997 4.953 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 223600861 XNDVRTYWEJQJLP-QFIPXVFZSA-N 542.101 4.706 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 223955003 PQGQFORGCDXSMA-MRXNPFEDSA-N 605.382 4.998 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC)S(C)(=O)=O 223980428 LJWKZRQAAIWHCV-NGQVCNFZSA-N 579.763 4.578 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 224131152 CHGJZUBTKIWZAZ-QHCPKHFHSA-N 540.513 4.626 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 224561017 JAHGESCEVHRFQN-AREMUKBSSA-N 572.127 4.796 0 40 KJAB 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COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)C2=O)o1 409384920 GJMRRWHYSZFLJQ-LPYMAVHISA-N 506.536 4.629 0 40 KJAB COc1cccc(CN2CCCN(C(C)=O)c3ccccc3CN(CC(=O)Nc3ccc4c(c3)OCCCO4)CC2)c1 643554915 QZGRJKAPWAKGLI-UHFFFAOYSA-N 572.706 4.556 0 40 KJAB COCCn1c(C(=O)N2CCN(C(C)C)CCCN(C(C)=O)c3cc(F)ccc3C2)cc2ccccc21 643558072 HYVHGOTYXVCONP-UHFFFAOYSA-N 508.638 4.536 0 40 KJAB CN(CCC[C@H]1C(=O)N(C)CCCCC2(CCN(C(=O)OC(C)(C)C)CC2)COCC(=O)N1C)C(=O)CCc1ccccc1F 643560947 OCPSPLFPEJQMFB-NDEPHWFRSA-N 632.818 4.500 0 40 KJAB Cc1nc(N2CCOCC2)sc1CN1CCOCCOc2ccccc2Oc2ccc(Cl)cc2NC(=O)C1 643569544 IUWXSOGIGWJEIV-UHFFFAOYSA-N 559.088 4.584 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1ccccn1)N(C(=O)Cn1nnc(-c2ccccc2)n1)c1cnc2ccccc2c1 905818 DNZJSBUODWHCJB-LJAQVGFWSA-N 546.635 4.507 0 40 KJAB COc1ccc(CN(C(=O)CSc2nnc3c(n2)[nH]c2ccc(OC)cc23)c2ccc(F)cc2)cc1 908099 IEHUWQCXDIGKEX-UHFFFAOYSA-N 503.559 4.988 0 40 KJAB Cc1nc(C(Br)(Br)Br)nc(C(Br)(Br)Br)n1 1692095 GOTIJEQQGSMAIN-UHFFFAOYSA-N 596.535 4.770 0 40 KJAB NC(=O)c1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2-c2ccc(Cl)cc2)cc1 2655490 ALASQYHBHMWQLO-UHFFFAOYSA-N 502.987 4.899 0 40 KJAB O=C(N[C@@H](Cc1ccccc1)C(=O)OC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccccc1 5640040 CVULDJMCSSACEO-WDYNHAJCSA-N 506.602 4.612 0 40 KJAB biogenic Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N(Cc3cccnc3)Cc3ccco3)cc2c1 6177991 GZDYEOFIECGHQJ-LJAQVGFWSA-N 531.620 4.960 0 40 KJAB CCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1 6471936 INXMNLOOVIEDMN-HHHXNRCGSA-N 517.626 4.691 0 40 KJAB CCOc1ccc(NC(=O)c2sc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c(C(=O)OC)c2C)cc1 6601197 QZRZMOVAXXZLGB-UHFFFAOYSA-N 528.583 4.772 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4ccccc4n3Cc3ccccc3)c(=O)n2[C@H]1c1ccccc1 8401091 RULFNTZLHBHLOS-HSUOJCLFSA-N 533.653 4.801 0 40 KJAB COc1cc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCCOC(C)C)cc(OC)c1OC 8606631 KHSFIVAGPMVNEL-SANMLTNESA-N 509.603 4.785 0 40 KJAB COc1ccc(NC(=O)COc2ccc(C(=O)O[C@H](C)C(=O)Nc3cccc(Cl)c3)cc2OC)cc1 12483846 PDLAOUTUPHIGDW-MRXNPFEDSA-N 512.946 4.559 0 40 KJAB Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c1C 12529019 TTXKWWVWYKZWTQ-CLJLJLNGSA-N 527.683 4.518 0 40 KJAB COc1cccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2cccc(C)c2C)c1OC 13029355 VBKBGLGCNJLUFN-HHHXNRCGSA-N 529.641 4.755 0 40 KJAB CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 17434357 JQNWZAXOHKJZFS-VWLOTQADSA-N 547.608 4.520 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(CCN1CCOCC1)C(=O)c1ccc(-c2ccccc2)[nH]1 19941123 KGFNJNKXZDKHJK-LJAQVGFWSA-N 532.660 4.785 0 40 KJAB CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(c2cc(C)ccc2C)CC1 20079898 JAPJBHSHNFNCNP-MHZLTWQESA-N 513.690 4.805 0 40 KJAB Cc1nc2sc([C@H](c3ccc(Br)cc3)N3CCN(c4ccc(F)cc4)CC3)c(O)n2n1 23157060 YYWFWOKILKDNHS-IBGZPJMESA-N 502.413 4.618 0 40 KJAB Cc1ccc(Cc2nn3c(SCC(=O)Nc4cc(C(F)(F)F)ccc4Cl)nnc3nc2O)cc1 27299076 XKZSTQPUHVTQAZ-UHFFFAOYSA-N 508.913 4.527 0 40 KJAB Cc1cc(Br)ccc1S(=O)(=O)Nc1cc2c(cc1Sc1ccccc1)n(C)c(=O)n2C 28049139 WMMAKMHYLSLQNW-UHFFFAOYSA-N 518.458 4.900 0 40 KJAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC2CC2)cc1)Nc1ccccc1Cl 33058628 HGFIEAGSFGZCML-UHFFFAOYSA-N 519.026 4.721 0 40 KJAB O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccccc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc(Cl)cc12 43730010 HMWBKBVMLDNKON-YQJHKJFNSA-N 504.995 4.888 0 40 KJAB COCCn1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)N(Cc1ccc(Cl)cc1)Cc1ccco1 57530799 SHBFNAKSSSMRPM-VWLOTQADSA-N 519.005 4.508 0 40 KJAB CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(CCc3ccc(F)cc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 70697895 HQIOLZKCHPUREY-BNHRFMORSA-N 541.623 4.989 0 40 KJAB biogenic CCOc1ccc(-n2c(SCC(=O)N3CCN(c4ccccc4)CC3)nc3c([nH]c4ccccc43)c2=O)cc1 97957525 SAAZMYAQPQMLHJ-UHFFFAOYSA-N 539.661 4.707 0 40 KJAB CCOCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2cc(F)ccc21 97972931 RMYTWYAQUZZPJM-SGEDCAFJSA-N 535.707 4.922 0 40 KJAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1OC 100092715 XXVXGYUFLOCJGX-UHFFFAOYSA-N 579.700 4.815 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)C)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 100250944 QMSNFMCIRROPQC-ASZNLBCTSA-N 564.704 4.771 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)c(F)c2)cc1OC 100364427 KOXBKBNHTDSAKE-NDEPHWFRSA-N 547.631 4.975 0 40 KJAB CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O 100375220 VLUSVDPRNJANAM-HHHXNRCGSA-N 552.635 4.762 0 40 KJAB COc1cc(/C=c2\sc3nc(-c4ccccc4Br)nn3c2=O)ccc1OCc1ccccc1 100903537 QBNGDBMRBYCWPS-HMAPJEAMSA-N 520.408 4.716 0 40 KJAB O=C(Nc1ccccc1I)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Br)n1)(C3)C2 101115113 IMKXAXXBNNWHGA-IJKBLAIYSA-N 527.204 4.579 0 40 KJAB O=C(OCC(=O)c1ccc(Br)s1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 103102473 LFZRVICACZYJLL-UHFFFAOYSA-N 520.426 4.692 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)ccc3OC)c(=O)n2[C@@H]1c1ccc(Cl)cc1 103788796 YBMKIBWCYQYJCF-DPWKNNTCSA-N 557.377 4.656 0 40 KJAB CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1 107890336 LUSXRYFAASOCGW-WYMLVPIESA-N 578.720 4.808 0 40 KJAB COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)C[S@@](=O)CC(=O)Nc2ccc(F)cc2)c2ccc(F)cc2)cc1OC 150378917 RLVWZUDTLJFKNA-BMVVTHKVSA-N 635.689 4.760 0 40 KJAB COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@]3(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C3(Cl)Cl)c1 169301751 AOUJGQLGEAZILY-VCXDHIOWSA-N 524.011 4.805 0 40 KJAB CCOc1c(I)cc(I)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2)C1=O 214457987 PMPPWRIRNCRACG-CXUHLZMHSA-N 634.233 4.970 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 222510839 GGHSOWZWZAKMMG-WNCULLNHSA-N 581.735 4.621 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 222555680 DNYRLPOIBONHJE-PMERELPUSA-N 591.680 4.855 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 222862054 PHIHAAFALAKBLX-LJQANCHMSA-N 578.518 4.669 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 222957977 XMHSWQROVZHQHY-HNNXBMFYSA-N 548.920 4.745 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 222998542 FHFNQHAKARSRLK-FQEVSTJZSA-N 590.515 4.645 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 223028964 CDAIRTCXBITRGS-QHCPKHFHSA-N 551.709 4.531 0 40 KJAB COc1ccc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)cc1C(=O)N1CCCCCC1 223194353 VHJIZZDMZJMEJK-UHFFFAOYSA-N 518.686 4.656 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 223202703 KQMMEYNUISBEFC-YTTGMZPUSA-N 629.779 4.984 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 223232936 RJVYKUNLUYTYKV-AREMUKBSSA-N 565.736 4.921 0 40 KJAB O=C(NCc1cccnc1)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223327881 BGHMBGSOACZNBN-JGCGQSQUSA-N 582.726 4.541 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 223450010 NFHHZDGYWFGMPL-SETSBSEESA-N 563.764 4.933 0 40 KJAB O=C(NCc1ccncc1)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223466194 GLCJEGLIYJLJKD-JGCGQSQUSA-N 600.716 4.681 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 223489682 KMJVBNJTEASYCD-VWLOTQADSA-N 625.788 4.858 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](C(=O)NCCCOC(C)C)c2ccccc2)cc1 223520373 SEYZUDFARCRZOE-YTTGMZPUSA-N 609.789 4.627 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 223624807 JDAIDADRWCBWNT-SANMLTNESA-N 609.551 4.522 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223653772 ZBQBOXJCUTYJPC-MHZLTWQESA-N 671.813 4.647 0 40 KJAB COc1ccc(OC)c(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(=O)(=O)c2ccc(C)cc2)c1 223676455 XBLQILPJDCMOIJ-UHFFFAOYSA-N 540.682 4.700 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 224264912 RGOQSWHRBXCZGI-SANMLTNESA-N 667.997 4.877 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 224284845 MGPNEFDZPONFPV-NRFANRHFSA-N 590.117 4.873 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224479997 GSRQBCNIXBYITB-SANMLTNESA-N 634.582 4.697 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 224600663 PGRLHVDELKDCCS-GDLZYMKVSA-N 583.726 4.547 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224657330 CQAYGPWDIZCPDW-NRFANRHFSA-N 630.138 4.922 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 224710066 DDZUSTAQMPQJPL-JOCHJYFZSA-N 572.127 4.796 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 224714782 WTHIZJKAUFQXNW-VWLOTQADSA-N 565.736 4.759 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 224826868 MLSGQHKULXTXFV-NRFANRHFSA-N 558.100 4.842 0 40 KJAB CC(=O)c1cccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 224891224 PVEPSQWDPXDJOI-SFHVURJKSA-N 582.550 4.828 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O 224913704 YLEINAAYYATDBU-QGZVFWFLSA-N 558.503 4.765 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 225134152 MRCKLQWAZHSNFJ-GOSISDBHSA-N 540.513 4.626 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 225145439 PUOBHUOJPWVVIL-MUUNZHRXSA-N 551.709 4.887 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225162576 DBDNNLSKPSGLQG-KRWDZBQOSA-N 558.503 4.765 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)N[C@@H](C)CC)c2ccc(F)cc2)cc1 225229436 VGLAOMDTXJHQGU-VXKWHMMOSA-N 587.689 4.891 0 40 KJAB 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0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 60060410 JDZBGKYJKWNJTN-UHFFFAOYSA-N 585.107 4.987 0 40 KJAB CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C 95629548 LJVAJPDWBABPEJ-ICSKLLGYSA-N 812.018 4.929 0 40 KJAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 97956526 FQIFWNDLKDAYSP-QZTJIDSGSA-N 528.652 4.642 0 40 KJAB O=C(Nc1nonc1-c1nc2ccccc2n1Cc1cc2c(cc1Br)OCO2)c1ccccc1 98008275 DQSALTVMFWVALG-UHFFFAOYSA-N 518.327 4.878 0 40 KJAB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)cc1Br 100359324 XQYSZIDSRWWHPR-UHFFFAOYSA-N 567.509 4.855 0 40 KJAB COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccccc2F)c(OC)c1 100363675 LNJDBXWYZDKIFE-LJAQVGFWSA-N 545.615 4.811 0 40 KJAB CCOC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2cccs2)cc1 100367107 OXJNPPWBBZSDGY-AREMUKBSSA-N 533.654 4.606 0 40 KJAB 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538.021 4.739 0 40 KJAB CCOc1ccc(CCNC(=O)COC(=O)c2cc(Br)c(Br)s2)cc1OCC 3288443 OOKXIIFKQYECMG-UHFFFAOYSA-N 535.254 4.586 0 40 KJAB C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl)C(=O)N1CCCc2ccccc21 3310696 NJPURKWZFLOETE-LJQANCHMSA-N 527.042 4.685 0 40 KJAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)C(=O)Nc1ncc(Cl)cc1Cl 3310708 JZCOTEKIFJLQJV-AWEZNQCLSA-N 514.431 4.526 0 40 KJAB COc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N[C@H]3CCCc4ccccc43)c2)cc1OC 3405725 DZJKUNBVYWCEBL-QHCPKHFHSA-N 529.058 4.686 0 40 KJAB COc1ccccc1NC(=O)Cc1csc(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)n1 6195130 IWNMXJKALMTBBX-UHFFFAOYSA-N 518.624 4.568 0 40 KJAB CC[C@H](C)c1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)cc1 12486492 UFSLHIARULGDLI-HPKXWHFBSA-N 517.626 4.593 0 40 KJAB O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cc(I)ccc1Cl 22826300 SUZAYCVAHQPISU-UHFFFAOYSA-N 502.695 4.998 0 40 KJAB COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](CC(C)C)C(=O)O)C(=O)N32)cc1 70707606 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KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 222518899 NIEIRPLWSMPCQP-GDLZYMKVSA-N 637.705 4.563 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 222568980 UAPSWANOCCWZCH-UFHPHHKVSA-N 535.710 4.647 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 222572660 ZAXUNZUGAJAIOA-NEKDWFFYSA-N 553.700 4.786 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 222892084 RSYCPDRJLFMWAQ-IBGZPJMESA-N 548.492 4.742 0 40 KJAB Fc1cc(Br)ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)o1 223160144 PFHAZIDOGGDKHO-XZOQPEGZSA-N 531.451 4.548 0 40 KJAB Fc1cc(Br)ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)o1 223202891 UMGODAWQZRPDQW-DNQXCXABSA-N 545.478 4.938 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 223276580 DCJIUNGVWRLHKZ-WXVAWEFUSA-N 600.579 4.770 0 40 KJAB O=C(NCCC1=CCCCC1)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223293233 KMZIDIPRTURGLZ-UMSFTDKQSA-N 631.795 4.863 0 40 KJAB O=C(NCc1ccc2c(c1)OCO2)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223371917 IQUYNNQWHQDMKL-UUWRZZSWSA-N 692.190 4.555 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 223444167 QBVMDJJUCBJCPD-VWLOTQADSA-N 625.788 4.858 0 40 KJAB Cc1ccc(CN(C(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1 223811595 MCIAFSOBIIXDBY-QFIPXVFZSA-N 533.694 4.913 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 223812815 SEDQBQPNVZVOOQ-OAQYLSRUSA-N 580.044 4.988 0 40 KJAB CN(C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 223943106 OASNFCNUOHTRMD-FQLXRVMXSA-N 524.694 4.952 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223957114 CTZRKVBEYYZXAA-OAQYLSRUSA-N 632.577 4.605 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 223982685 BYXMUEVGELDRMH-RBISFHTESA-N 616.180 4.678 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 224184990 FJFLGRRJEJJDHG-MHZLTWQESA-N 535.710 4.751 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224303654 FRBMPZRBLAUTJB-AREMUKBSSA-N 593.643 4.777 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224371495 FDKPOOQNKGSHCV-HHHXNRCGSA-N 599.725 4.599 0 40 KJAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224611020 GNAKIUTYRQRVIH-VWLOTQADSA-N 632.179 4.547 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 224649373 WXYSSANXQSMAAG-FQEVSTJZSA-N 576.090 4.625 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224769762 MKCDEYZBUWENQY-SFHVURJKSA-N 574.065 4.991 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 225067810 JKGOSZLVNAIUIJ-BJKOFHAPSA-N 551.709 4.885 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 225164104 LCRUSINFLRMDKE-JOCHJYFZSA-N 536.138 4.837 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 225213857 SUVZWYYVUXXTDY-INIZCTEOSA-N 593.371 4.856 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 225255984 UTTUUTKQFKQXNV-AREMUKBSSA-N 539.673 4.663 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 225397400 SZSRDEJUBLJQEO-DNQXCXABSA-N 581.735 4.540 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 225765146 RHUDWFCGEPEHFW-PMERELPUSA-N 563.764 4.790 0 40 KJAB CN(c1ccc(CC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 225985972 RDDZUOLMRXXPMA-UHFFFAOYSA-N 526.058 4.511 0 40 KJAB COc1ccc(-c2nc3sc(=Cc4ccc(-c5cc(Cl)ccc5Cl)o4)c(=O)n3n2)cc1OC 254516445 FVNJFEFMZNGGKO-UHFFFAOYSA-N 500.363 4.950 0 40 KJAB COc1cccc(S(=O)(=O)N2CCC[C@](COc3ccccc3)(CC(=O)N(C)Cc3ccccc3)C2)c1 257311927 ULQMRCWTTGQOLN-LJAQVGFWSA-N 522.667 4.594 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC)c2ccc(C)cc2)cc1 260748987 BANUHWJNNSVBSG-OAQYLSRUSA-N 602.551 4.515 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 260839565 AQONRVDGEJGXOQ-JOCHJYFZSA-N 572.127 4.794 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)c1 260865464 CFBFBOCUNURXQY-HSZRJFAPSA-N 539.673 4.519 0 40 KJAB COc1ccccc1N(CCCC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 260916034 ZMJPYMBFKUUYBD-GDLZYMKVSA-N 579.763 4.715 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 260996908 QZCGHRWMJRFIHO-GJZUVCINSA-N 529.747 4.781 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 261024771 WKMGVQBOAYRBRW-DQEYMECFSA-N 535.710 4.831 0 40 KJAB COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)C1=O 408548078 CYWFMWYMKREHNG-LZYBPNLTSA-N 558.610 4.510 0 40 KJAB Cc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)Nc2cccc(C)c2)cc1 408579020 YMKZBTCLXYLKCK-UHFFFAOYSA-N 505.372 4.982 0 40 KJAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)C2)cc1OC 408584739 UJRKDVOBHZFHMB-IBGZPJMESA-N 543.041 4.628 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1 408654333 QKBPNLFWRIKMFR-BSPFGIBGSA-N 579.392 4.853 0 40 KJAB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)CC1=O 408669883 PIVAHAUOPDHXGT-INIZCTEOSA-N 507.812 4.762 0 40 KJAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c(C)c2)CC1=O 408672649 VRUQIDOJBFDRHO-OEMFJLHTSA-N 500.595 4.534 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)C)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 408921179 AIFMULVKLCPYGH-ZSJKCPIUSA-N 615.546 4.755 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408944341 VEACLRKQYRNVKX-YNMQQHPQSA-N 586.666 4.632 0 40 KJAB CCOC(=O)c1ccc(COc2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccc(OCC)c(OCC)c3)C(C(=O)OC)=CN=4)cc2OC)cc1 408951934 VHLFUCPTSAAEEN-BDPQQKCLSA-N 672.756 4.580 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C(C)C)c(OC)cc3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 409015545 BWARZFYUZRCCJA-UQDCTOEPSA-N 564.704 4.646 0 40 KJAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4ccc(F)cc4)c(I)c3)C2=O)cc1 409016106 CGXRCDXVEUPKJT-LPYMAVHISA-N 585.373 4.849 0 40 KJAB COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2Cl)cc1 409060146 UAGVQMQQNVEXPH-YIGBJAPESA-O 503.793 4.672 0 40 KJAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)C1=O 409096273 KGQHSWZGFYSHRO-MDBUFAAASA-N 506.374 4.635 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2C)c2ccccc2F)cc1 409129794 UYDRVZOBEAHPBO-UHFFFAOYSA-N 538.382 4.881 0 40 KJAB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCCC4)c4c(CC)cccc34)N(C)C2=S)cc1 409139137 AFFQHFYFMYGYIA-UQQQWYQISA-N 516.667 4.829 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)ccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1ccccc1OC 409189151 JAJVZFDEPIKFPU-KMBIYUNPSA-N 593.057 4.507 0 40 KJAB CN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)C1=O 409195181 SBHXCPWITUHADW-OVCLIPMQSA-N 503.123 4.700 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OC 409225637 QJBIFGWXATZSDM-FRKPEAEDSA-N 529.771 4.934 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 409236475 GVJXOGRELHRSDD-LPYMAVHISA-N 671.444 4.507 0 40 KJAB CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2cc(C)ccc2C)C1=O 409269746 DGQXVAFOCQSEKM-RGVLZGJSSA-N 547.427 4.683 0 40 KJAB Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1 409275768 WQTAUAPUBJUVAH-QQXSKIMKSA-N 541.629 4.634 0 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4.575 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 6488484 IZAFZSPEXDLPSV-WNRWPCNTSA-N 563.473 4.723 0 40 KJAB COc1cc(OC)c(CSC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(OC)c1 8665374 RBRGDLFVCBTWNU-XMMPIXPASA-N 523.607 4.938 0 40 KJAB COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(COC5=CC=CC[C@H]5OC)nc4c32)cc1OC 9584262 XNSJZUZCIYFZKA-CLOONOSVSA-N 514.538 4.508 0 40 KJAB CC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 13495180 AQHFERYIAFMFMT-AREMUKBSSA-N 512.614 4.935 0 40 KJAB COc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)cc1Cl 13564487 YRHGUEYUSQPXJY-QHCPKHFHSA-N 514.047 4.829 0 40 KJAB COc1ccccc1CNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 14155772 QOSMGGRPNNHNEA-UHFFFAOYSA-N 502.592 4.999 0 40 KJAB CCOCOc1cc(OCOCC)c(C(=O)[C@@H]2O[C@H]2c2ccc(OCOCC)c(OCOCC)c2)c(OCOCC)c1 72130477 WRWKJNHZPLBAPY-KYJUHHDHSA-N 594.654 4.873 0 40 KJAB in-vitro CC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(Br)cc1[C@H](NCC(=O)OC)c1ccccc1 97997860 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KJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1 103139219 UZJMXUORZUORJK-UHFFFAOYSA-N 551.694 4.800 0 40 KJAB Cn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1cccc(Cl)c1Cl 107794025 AIESUIMSQZJOSX-UHFFFAOYSA-N 529.247 4.545 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccc(C)c(C)c2)cc1 140143721 XSYYCCZTGUBGGU-UHFFFAOYSA-N 564.689 4.642 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 222587001 UUOHESPOTFXXJY-PWUYWRBVSA-N 565.736 4.655 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 222663036 LSXLEYGTNBLZIY-RUZDIDTESA-N 606.970 4.563 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C 222705518 NSRMNTOHWZCZNQ-FQEVSTJZSA-N 522.111 4.527 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 222921297 HUKXTOKBACADBJ-LJAQVGFWSA-N 609.789 4.890 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 222977617 MDPXRXVLVURKLP-SANMLTNESA-N 586.552 4.815 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 223106050 ILWBUKNNJMCKRU-VWLOTQADSA-N 565.736 4.841 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1 223451700 PGDFHNARMMBDIW-MGBGTMOVSA-N 631.726 4.872 0 40 KJAB COCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1Cl 223526496 AYXBWVDKTSQFIP-MHZLTWQESA-N 511.018 4.650 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223678325 VWBGADULWHFPMF-HHHXNRCGSA-N 535.710 4.647 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223731426 UZHFKAKMIBWAQI-SANMLTNESA-N 529.747 4.782 0 40 KJAB CC(C)c1ccccc1OCCNC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 223762937 DWKFBVJYIDVPEQ-UHFFFAOYSA-N 578.472 4.805 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 223790558 KBEGEIINYDCBEG-QFIPXVFZSA-N 602.153 4.804 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223883073 IWWKCEHWHNPPJG-LJQANCHMSA-N 578.518 4.751 0 40 KJAB Cc1ccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1Cl 224153143 DMQSGMCZBYZZRV-KRWDZBQOSA-N 519.878 4.692 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 224185796 GHBLRXQDJUJTGZ-MUUNZHRXSA-N 549.737 4.788 0 40 KJAB CC(=O)c1cccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 224210309 TYVOESFJIZDLFX-LJAQVGFWSA-N 577.747 4.518 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224262825 YDNDTNLIXJLFJY-OAQYLSRUSA-N 560.091 4.864 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 224464459 AUUOZHGERHMQSR-QFIPXVFZSA-N 546.492 4.622 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224560553 OREKXBIVCWHRPA-MHZLTWQESA-N 553.700 4.909 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 224598524 HFPBMJQFSUNBIH-NDEPHWFRSA-N 557.757 4.724 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 224665233 VYIMCYVULTUHLQ-JOCHJYFZSA-N 533.694 4.995 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 224728356 ZAAKWXDCRWCGCH-DEOSSOPVSA-N 541.758 4.970 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 224748893 POXOOWVHWBKFRR-PMERELPUSA-N 557.716 4.771 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 224852433 XXZFTIZRCMYPMG-FQEVSTJZSA-N 576.090 4.627 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224866839 HCBAVQLLLFHVML-HSZRJFAPSA-N 600.565 4.848 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 224983191 FQIMLLDIHJUKDI-DNQXCXABSA-N 551.709 4.531 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 225079241 LDUUFPMKMMAECB-VWLOTQADSA-N 548.149 4.979 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 225111001 REBFSZRIILDHHJ-LJAQVGFWSA-N 598.165 4.814 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c2ccccc2OC)cc1 225294781 GRANAKOBKWMQMD-UHFFFAOYSA-N 545.042 4.710 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccccc1 225376176 YZYJKTQKLNSYHB-LJAQVGFWSA-N 565.711 4.681 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 225395821 KXZQOTJVLHKZKN-LOSJGSFVSA-N 625.788 4.857 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225400347 QWMFUANVIQLVBR-FGZHOGPDSA-N 632.179 4.893 0 40 KJAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 225425970 VETOFWMREATECY-MUUNZHRXSA-N 549.737 4.875 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 225461642 VZPPZCCUTQYRHL-WNCULLNHSA-N 521.683 4.604 0 40 KJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccco3)c2C)cc1NS(C)(=O)=O 225474996 PNYHAAVDAOVQDF-IZZNHLLZSA-N 551.694 4.698 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 225536159 LQQWKGUFJMCUGY-ATIYNZHBSA-N 515.720 4.607 0 40 KJAB Cc1[nH]c(C)c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1I 225584875 IYJDASYSTHLFEE-FGZHOGPDSA-N 563.440 4.772 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 225724116 MMLWBWQARKCIOO-MUUNZHRXSA-N 535.710 4.831 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)CC3)cc1Cl 226067545 KGKGCPUEUXLGKA-UHFFFAOYSA-N 572.083 4.600 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2cc(C)cc(C)c2nc1O)C[C@H]1CCCO1 253500313 BJAVAVWVRKHJQL-RPBOFIJWSA-N 504.610 4.863 0 40 KJAB Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](COC(=O)c4ccccc4)[C@H](OS(=O)(=O)O)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)ccc12 253505145 QITKEEPRPKDMMO-DJADJKNPSA-N 730.700 4.701 0 40 KJAB biogenic,in-vitro CC(C)(C)c1ccc(OCC(=O)O)c([C@H]2C[C@](C)(NC(=O)CCO)C[C@@H](c3cccc(Cl)c3)O2)c1 257243427 IGXLWRPQUFSHNO-QHWMMSMNSA-N 504.023 4.951 0 40 KJAB O=C(CC1(COc2ccc(F)cc2)CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1)N1CCOCC1 257325733 WUEVYDGRIKVPCN-UHFFFAOYSA-N 524.564 4.775 0 40 KJAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2O[C@H]3c4cc(Cl)ccc4OC(C)(C)[C@@H]3C[C@H]2C1 257326508 WXKZZVMXNOGGIZ-QBCBYPOOSA-N 576.134 4.710 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 260744095 NPKHZOXUHOANKC-HSZRJFAPSA-N 586.154 4.837 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)N(C)C)c1 260776060 JAMKQAPRZBEWOT-HXUWFJFHSA-N 583.582 4.699 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)c1 260802763 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4.912 0 40 KJAB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)c1 408643559 GFRWLCBFQXNEGT-SEHWEYEPSA-N 587.028 4.839 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Br)cc3F)c(C)c2)cc1 408674692 FZCBJKRVBHDIQS-UHFFFAOYSA-N 523.380 4.724 0 40 KJAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)C1=O 409009385 FAMRVSTULIOQCL-OTGIAGGSSA-N 564.410 4.723 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409029255 XRVUTZOZCRMYCK-UHFFFAOYSA-N 522.982 4.729 0 40 KJAB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 409101976 ZSRCUYOZGCSOHV-SRZZPIQSSA-N 602.356 4.809 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 409135120 UNZZZTQTZNTNSS-MRXNPFEDSA-N 516.465 4.899 0 40 KJAB C[C@H](NC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccccc1 409138491 CPQARRPOQHYLBL-INIZCTEOSA-N 520.438 4.889 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1OCC(C)C 409197600 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COc1ccc(CN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)S(=O)(=O)c2c(C)ccc3nsnc23)cc1 925520 NPPZQXUAXILTCA-UHFFFAOYSA-N 534.663 4.858 0 40 KJAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)Nc1ccccc1C(F)(F)F 950550 RCXBOEONHVRDCW-UHFFFAOYSA-N 502.832 4.955 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)n(C)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 2175860 OQGYEFNMZDXWGT-KUSDHMTMSA-N 593.705 4.753 0 40 KJAB CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC 3643368 WUIKDXVBMXZRDR-OAQYLSRUSA-N 520.563 4.892 0 40 KJAB CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(OC)c(OC)c2)nc1C 3643412 PHNYPTBFLNTHQF-FQEVSTJZSA-N 506.536 4.502 0 40 KJAB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 6461748 IUGQYRCKVBJCHV-UHFFFAOYSA-N 583.688 4.762 0 40 KJAB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C(/NCc1cccc(F)c1)Nc1ccccc1Cl 8757713 WAUBZXPQMYVBQW-MRCUWXFGSA-N 543.780 4.938 0 40 KJAB COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C[C@H](c6ccccc6)[C@@H](C5)[C@@H]4C3=O)c2)cc1 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501.930 4.723 0 40 KJAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)cc2)n1 60060667 BGNBDBWYPXQGBP-UHFFFAOYSA-N 600.122 4.690 0 40 KJAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(C(F)(F)F)cc2)cc1)c1ccc(F)cc1 67896804 COQPIZCMHBABBV-ISKFKSNPSA-N 502.464 4.558 0 40 KJAB biogenic,in-vitro O=C(CSc1nnc(CNC(=O)c2cccs2)n1-c1ccc(F)cc1)Nc1nc2ccccc2s1 97961674 OXOYBHZHODUDHC-UHFFFAOYSA-N 524.628 4.738 0 40 KJAB COc1cccc(NC(=O)CSc2nc(-c3ccccc3OC)nc3c2Cc2c(CO)cnc(C)c2O3)c1 97987093 BEZLNAIUKSERNW-UHFFFAOYSA-N 530.606 4.784 0 40 KJAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 98050270 SGWNSLSYFGONSH-UHFFFAOYSA-N 547.946 4.943 0 40 KJAB C[C@H](c1nc(NCCc2ccccc2)c2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC1 100035992 STUPUJPYOFNRMU-XMMPIXPASA-N 567.719 4.538 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 100374695 UQFGAQSQZBDAIY-JYFHCDHNSA-N 537.064 4.899 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc(Br)cc1Br 103075116 FUZMGILGRXIHMK-UHFFFAOYSA-N 546.281 4.712 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OCc1ccc(Br)cc1 106769675 CEAMUQJLFMGYJQ-BKUYFWCQSA-N 531.428 4.695 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 150396305 FNIXLKDJWYOOHB-ZPVURNRZSA-N 635.536 4.724 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 222526187 HVEJSRAJZPNNHI-UFHPHHKVSA-N 595.762 4.930 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 222738263 YJAYUIYBAPWWCC-LJAQVGFWSA-N 585.717 4.923 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 222768469 DHYPOVKOTHIDJC-HSZRJFAPSA-N 542.529 4.708 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 222772165 KEXLJHCMWXTNOO-NRFANRHFSA-N 578.946 4.753 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 222773101 NEOSUSQQKHQJBN-QFIPXVFZSA-N 542.529 4.708 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 223049369 UCXUZUGFCZMKFP-HZPDHXFCSA-N 548.920 4.745 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223124833 DUFJFROGGCVOQN-GDLZYMKVSA-N 549.737 4.626 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 223200417 KQWZXNIQJPKHLR-JOCHJYFZSA-N 572.127 4.878 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 223276440 DQZODTPKCVKVEN-WXVAWEFUSA-N 600.579 4.770 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 223356861 LTROKPNMFLKFGL-MUUNZHRXSA-N 570.155 4.971 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O 223400577 FZFYNFDFXHJASG-GOSISDBHSA-N 542.529 4.655 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 223496036 MELOBKWELNHDKM-HSZRJFAPSA-N 599.725 4.762 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 223664983 SYBBLKCPLAYKKZ-HHHXNRCGSA-N 604.556 4.738 0 40 KJAB Cc1ccc(C)c(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 223853493 HSFGNPLQTGQWRE-QFIPXVFZSA-N 548.149 4.979 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1 224022029 FJGLRVBGFXWSHW-NRFANRHFSA-N 572.127 4.876 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 224104037 GDTGVLXWBWAXSB-AREMUKBSSA-N 551.709 4.533 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C 224138778 KZKAZBWPDLOWFU-NRFANRHFSA-N 555.663 4.750 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 224151819 OQGRZBFFIFMQGC-IBGZPJMESA-N 574.541 4.555 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 224466481 DCAZCFFNEIBIBP-JOCHJYFZSA-N 558.503 4.765 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccccc3Cl)Oc3ccc(C(C)(C)C)cc32)cc1 224521221 CBFGGVHIJVCJRB-SANMLTNESA-N 559.084 4.798 0 40 KJAB COc1cc(CNC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)ccc1OC(C)C 224713127 AWODWAVXCPXSFL-UHFFFAOYSA-N 510.656 4.995 0 40 KJAB CCc1cccc(CC)c1N(Cc1ccc(C(=O)NCc2ccc(OC)c(OC)c2)cc1)S(C)(=O)=O 224829974 CUKHQGIVLLQNRJ-UHFFFAOYSA-N 510.656 4.725 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc(I)cc1 224974951 NAUYBEAWCXBEDV-NDEPHWFRSA-N 677.580 4.895 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 224980758 SWDIVGJOBUKDNZ-NDEPHWFRSA-N 589.680 4.815 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 225021403 YZOSZWJZSNLQQT-XMMPIXPASA-N 538.085 4.501 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225103324 PHZLOVYBRLAQIE-SANMLTNESA-N 634.582 4.695 0 40 KJAB 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CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223685834 QZXRHCONHWYSFO-QDPGVEIFSA-N 611.736 4.655 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223737677 JOPDXVDHTPUDMI-WJOKGBTCSA-N 645.778 4.684 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 223914049 CZKCNRPKKDOBEQ-HSZRJFAPSA-N 542.529 4.792 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223969322 WIXNIOALFHLQCG-MUUNZHRXSA-N 629.751 4.771 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 223982318 TVFKSNGCPAEMNN-VWLOTQADSA-N 552.137 4.619 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 224040229 HATSQRYOSKOILV-MUUNZHRXSA-N 570.155 4.889 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 224091587 BBFLJIFTEHSUJT-JOCHJYFZSA-N 542.101 4.725 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 224745876 JMZMMRGLEGBRJI-XMMPIXPASA-N 551.709 4.533 0 40 KJAB COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 224956919 MOVKSKAZHQRCFJ-LJAQVGFWSA-N 534.628 4.921 0 40 KJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 225045125 PQYPYGCWMDARDU-QFIPXVFZSA-N 572.127 4.530 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 225061385 KCSVRJWIODMTEX-LOSJGSFVSA-N 535.710 4.831 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 225149482 QBCOCSLXJZOIEG-SANMLTNESA-N 577.191 4.826 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O 225316940 UWMYKTPPACQPNM-QFIPXVFZSA-N 542.529 4.655 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O 225320655 XVUFLQSJZYVLEQ-QHCPKHFHSA-N 542.529 4.655 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225341904 FFRKSHDMEMPZBC-RBUKOAKNSA-N 600.565 4.643 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 225364121 JXUCZHPLCDITFH-XMMPIXPASA-N 578.573 4.514 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225555139 SLMICCWJXILIKP-SANMLTNESA-N 644.588 4.500 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225604806 QSAUXQXULRJSPM-DEOSSOPVSA-N 582.044 4.511 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 225637018 OEHFLCQNRMGGQB-HHHXNRCGSA-N 556.128 4.616 0 40 KJAB S=C(NCc1ccccc1Cl)Nc1nc(N2CCCCC2)cc(N2CCN(c3ccccc3)CC2)n1 225936929 FTOMIERSNISEQG-UHFFFAOYSA-N 522.122 4.934 0 40 KJAB Fc1ccc(C2(CNC(=S)Nc3nc(N4CCCCC4)cc(N4CCCCC4)n3)CCOCC2)cc1 226000434 ADBWWALLGTZKRX-UHFFFAOYSA-N 512.699 4.631 0 40 KJAB CCOC(=O)Cc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 226019925 FHUGZHWVGOYNIY-UHFFFAOYSA-N 535.449 4.929 0 40 KJAB COc1ccc(CN(C)C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 226050341 QEXVFLJSIXMSMB-UHFFFAOYSA-N 503.020 4.520 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1 260741728 BFGLMCSPDDWKBE-OAHLLOKOSA-N 578.946 4.753 0 40 KJAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCCNc2ccnc3cc(Cl)ccc23)C1 260746169 QJGHZXUWZSGVMV-SFHVURJKSA-N 565.523 4.959 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)c(C)c1 260874383 LUYDLDRQLAYMJC-HSZRJFAPSA-N 539.673 4.580 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c2ccc(C)cc2)cc1OC 260880050 BWBMBZWKYJZTLN-HSZRJFAPSA-N 581.735 4.540 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 261007316 SVJSGDCRTGIOOW-ZHRRBRCNSA-N 546.492 4.621 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)N(C)C)c1 261010261 SHCMOPNABAKTHG-JGCGQSQUSA-N 604.817 4.924 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 261022896 WGEOBAZAMVFKOJ-PKTZIBPZSA-N 569.699 4.670 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)c2ccccc2OC)cc1 408610356 QHVXGDGMYIZIQS-UHFFFAOYSA-N 516.619 4.805 0 40 KJAB COc1cccc2cc(C(=O)Nc3ccc(Cl)cc3Cl)n(NC(=O)C(=O)NCc3ccccc3)c12 408611835 WWNDTTMMFFXHFZ-UHFFFAOYSA-N 511.365 4.596 0 40 KJAB Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Br)cc2)ccc1Br 408665484 MBFICHNEUKSQGV-UHFFFAOYSA-N 512.198 4.811 0 40 KJAB Cc1cc(I)ccc1NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 408693188 JQIFYBQOYXNTJT-UHFFFAOYSA-N 550.821 4.573 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OC)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408832239 QIRKTTBUGLIWCQ-ZRELAVNMSA-N 683.362 4.573 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 408991400 NTQLHDXPHLOHJR-NKYAOSOXSA-N 663.546 4.641 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 409003243 YSYGBIJLBQHYAJ-CLNXTWJPSA-N 614.745 4.982 0 40 KJAB O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 409010536 FMLLFICERNWHEJ-MOSHPQCFSA-N 502.317 4.700 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(Cl)cc(Cl)c2)cc1 409026597 TVIJRKYUPXJDKJ-UHFFFAOYSA-N 576.502 4.570 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)Cc2ccc(Cl)cc2Cl)cc1 409057092 UAVPKKVWLQQKET-UHFFFAOYSA-N 521.422 4.903 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3O)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 409060229 ZWMGEENTZILEGO-FFMVHGEESA-N 689.753 4.533 0 40 KJAB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)OCCO2 409084653 VVHVFLURVNJCRL-UHFFFAOYSA-N 551.846 4.703 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C3/C(=O)N(C(C)C)c4ccccc43)c2=O)=N1 409139241 ANBZYPFTXRQOSJ-CJJGVWJISA-N 569.086 4.653 0 40 KJAB CS(=O)(=O)CC[C@@H](C(=O)OCC(=O)c1ccc2ccccc2c1)N1C(=O)c2ccc(C(=O)OCC(=O)c3ccc4ccccc4c3)cc2C1=O 409174784 VBLRYAJGUKFYGB-YTTGMZPUSA-N 691.714 4.858 0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409179151 PMIJBPMQPOEXDG-UHFFFAOYSA-N 576.140 4.965 0 40 KJAB COC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)c2ccc(Br)cc2)C1=O 409220016 XKQAYTUAPOUJLL-GIJQJNRQSA-N 569.227 4.683 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)cc1OC 409260893 YDJHUIIKDMZGNN-OCKHKDLRSA-N 613.870 4.737 0 40 KJAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3sc4c(c3C(=O)NCc3ccccc3)CCCC4)n2C)cc1 409352550 ZQFRTYLSKXGNBU-UHFFFAOYSA-N 588.759 4.906 0 40 KJAB O=C(O[C@H](C(=O)NCc1ccccc1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O)c1cccc(C(F)(F)F)c1 409385296 HKUHXGQAHLCPDE-LEWJYISDSA-N 583.437 4.876 0 40 KJAB COc1ccc(CN2CCC(O)(COc3cc(C)ccc3Cl)CC2)cc1OCCCn1cccn1 585274764 NJEKRBRVOAVKIH-UHFFFAOYSA-N 500.039 4.729 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3c(F)cccc3F)CCO2)C1=O 643556898 QSFIHBRYSRHFTG-MUUNZHRXSA-N 500.586 4.610 0 40 KJAB CCCn1cnc2cc(C(=O)N3CCC4(CCCCc5ccccc5OC[C@@H](C)NC4=O)CC3)ccc21 643562799 QKQKXSPKNXMKRP-JOCHJYFZSA-N 502.659 4.979 0 40 KJAB Cc1nc(C)n(CCC(=O)N2CCCCCOc3ccccc3Oc3ccc(Cl)cc3NC(=O)C2)n1 643568335 OYCJAMGOTZPHIH-UHFFFAOYSA-N 512.010 4.761 0 40 KJAB O=C(CCCn1cccn1)N1CCC2(CCCCc3ccccc3OCCN(Cc3ccccn3)C2)CC1 643569113 TUAMPJVIHPTRMW-UHFFFAOYSA-N 515.702 4.975 0 40 KJAB COc1ccc2nc(-n3nc(C)c4c3C=C3Oc5c(C(C)=O)c(O)c(C)c(O)c5[C@@]3(C)C4=O)sc2c1 1547138432 AOXWSGNFVWSQIZ-SANMLTNESA-N 503.536 4.609 0 40 KJAB biogenic O=C(NCc1ccccc1)[C@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 931951 FMXRDIIMFWKYKR-LJAQVGFWSA-N 525.559 4.796 0 40 KJAB CCn1c(CSc2nc3ccccc3c(=O)n2-c2ccc(OC)c(OC)c2)nc2cc(C(=O)O)ccc21 2660013 MLDJHHMIGQBMGJ-UHFFFAOYSA-N 516.579 4.763 0 40 KJAB Cc1ccc(Nc2nc(COC(=O)CCNS(=O)(=O)c3c(Cl)cccc3Cl)cs2)cc1 3397932 UCMFONRKCXGZJZ-UHFFFAOYSA-N 500.429 4.914 0 40 KJAB COc1cc2c(cc1NC(=O)COC(=O)[C@@H]1CS[C@]3(c4ccc(F)cc4)CCC(=O)N13)oc1ccccc12 3433886 VWKCYHWDKLZUEA-KMRXNPHXSA-N 534.565 4.806 0 40 KJAB O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1O)C1(Br)c3ccccc3C2(Br)c2ccccc21 4157128 SAEHAMYQBWUZGD-TUUBTQOTSA-N 525.196 4.802 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(COc4ccccc4C)c3)c(=O)n2[C@@H]1c1ccccc1 8432666 KMRQRUISLHKUPS-PQRKSKNISA-N 554.668 4.694 0 40 KJAB COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(=S)Nc3ccc(Cl)cc3)n(C)n2)cc1OC 8635521 VIHBSUQDQIYJKS-WTOYTKOKSA-N 526.106 4.922 0 40 KJAB biogenic,in-vitro COc1ccc(CNc2nc(NCc3ccc(OC)c(OC)c3)n(C(=O)c3ccccc3C)n2)cc1OC 9907550 QIOAQQPVQQVFAX-UHFFFAOYSA-N 517.586 4.534 0 40 KJAB O=C(NCCSCc1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 10691710 BVCQRVFYGAEBQC-UHFFFAOYSA-N 501.501 4.585 0 40 KJAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCCC1 12883749 ACHQQXBCGYQFNN-VSDOPOLSSA-N 512.654 4.618 0 40 KJAB biogenic CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 13024577 FLBRFIXMIKRSOK-RUZDIDTESA-N 505.644 4.576 0 40 KJAB COc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)Cn2nnc3ccccc32)c1 13029721 MMBQVSZRRCJRPF-LJAQVGFWSA-N 511.626 4.577 0 40 KJAB CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1cccc(OC)c1 13029841 VFQBSBKLHFOLPY-LJAQVGFWSA-N 511.626 4.836 0 40 KJAB COc1ccc(CN(C[C@H]2CCCO2)[C@H](c2cc3cc(C)c(C)cc3[nH]c2=O)c2nnnn2C(C)(C)C)cc1 13454185 PKMDNUGCYNWGFI-SHQCIBLASA-N 530.673 4.666 0 40 KJAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc4ccccc4cc3OC)cc2Cl)CC1 14276741 WVRDGJKBXNQIEE-UHFFFAOYSA-N 511.047 4.687 0 40 KJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16033615 PWMYXGFYMMHRTG-KEZOAJOQSA-N 509.528 4.988 0 40 KJAB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 20493623 VZDFHRVDQFSTRT-UHFFFAOYSA-N 517.529 4.666 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1Cl 22248310 NENBITHUZHMGBB-MHECFPHRSA-N 517.047 4.514 0 40 KJAB CCCCOc1ccc(-c2cc3c4nnc(SCC(=O)NCc5ccc(OC)cc5)n4ccn3n2)cc1 45971811 URQWZZOAQXXDNW-UHFFFAOYSA-N 516.627 4.640 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)c2ccc(C)cc2)cc1Br 59647196 HFNCDORQNNEQPF-UHFFFAOYSA-N 586.508 4.836 0 40 KJAB CCc1ccc([C@H]2CN3C(=O)CN(Cc4cc(OC)c(OC)c(OC)c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 70700133 WNGVOVVMNRIJOX-IANOAQMISA-N 553.659 4.988 0 40 KJAB biogenic CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccc(F)cc1 70704402 MVTBSMKATUIRGG-VWENNTDVSA-N 538.623 4.624 0 40 KJAB biogenic CCCc1nn(C)c2c(O)nc(-c3cc(S(=O)(=O)c4ccc(OCC)c(-c5nc6c(CCC)nn(C)c6c(=O)[nH]5)c4)ccc3OCC)nc12 77286741 ZBSAXUCQFZBWNK-UHFFFAOYSA-N 686.795 4.908 0 40 KJAB in-vitro COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCc3ccc(OC)c(OC)c3)C2=S)cc1 98000331 YKRMTZZZKCFQLD-QHCPKHFHSA-N 554.068 4.939 0 40 KJAB COc1ccc([C@@H](NC(=O)c2nn(-c3ccccc3)nc2C)c2nccc3cc(OC)c(OC)cc23)cc1OC 100237889 UCWQOEKUVVPKJZ-MUUNZHRXSA-N 539.592 4.678 0 40 KJAB CCOc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)cc2)cc1 100362994 SLCSRVZPNFOWMP-HKBQPEDESA-N 549.631 4.930 0 40 KJAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(Cl)ccc3n2CCOC)cc1 100872506 FNYIDBJFKFDOMM-SGEDCAFJSA-N 544.098 4.955 0 40 KJAB CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1)n2CCOC 100873231 GTFDGSXNXPKCMC-DQSJHHFOSA-N 547.743 4.792 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NCc3ccco3)c(=O)cc1[C@@H](NC(C)=O)CC2 108449270 HCTPBTYVUPCJBS-AHWVRZQESA-N 577.678 4.599 0 40 KJAB biogenic CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc(C)c3)C(C)C)n2CC)cc1 145772449 AIMPWESILVBWLS-HSZRJFAPSA-N 523.659 4.641 0 40 KJAB COc1cc(-c2nnc(SCC(=O)Nc3c(Br)cc(Br)cc3Br)n2N)cc(OC)c1OC 150458879 INYGTDLJDGRVAW-UHFFFAOYSA-N 652.163 4.703 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 222574023 OHGRWRHDQBTCIE-SHQCIBLASA-N 565.736 4.655 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 222786737 POPJTAXJWHRNMP-SFHVURJKSA-N 598.043 4.726 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 222916034 CDMOTWJWDRTQPR-FQEVSTJZSA-N 576.090 4.627 0 40 KJAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCCCOC(C)C)cc1OC 223035048 XZPSGJOUOIOVRX-MUUNZHRXSA-N 532.681 4.818 0 40 KJAB CC[C@@H](NC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1)c1ccc2c(c1)CCCC2 223061730 RLEUDEUWPZELRR-SSEXGKCCSA-N 531.722 4.953 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223185744 LSOJWOZOXKKSHY-MHZLTWQESA-N 595.762 4.930 0 40 KJAB COCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1Cl 223242658 ZKSFMVKIZWBWEX-SANMLTNESA-N 525.045 4.520 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223263660 QUJICRPDULGGGQ-DEOSSOPVSA-N 608.544 4.759 0 40 KJAB O=C(NCCCO)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 223377596 SRAGQZWSSCCNAM-HKBQPEDESA-N 640.133 4.927 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 223581519 DGKIOJMNBSKNLP-NDEPHWFRSA-N 551.709 4.969 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223699578 KXCQKVKLUFKONH-AREMUKBSSA-N 576.546 4.844 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 223701515 YBQFBGDUJGCNPD-SANMLTNESA-N 592.545 4.544 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)cc1 223736922 ATMRWELWGAZELB-DEOSSOPVSA-N 563.720 4.675 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 223902935 SWKNPGGPHYRGPG-SFHVURJKSA-N 566.482 4.881 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 224044087 UULQYQQHYBRDLF-HHHXNRCGSA-N 647.579 4.532 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 224057454 BJXSZBMVWVSEQL-SSEXGKCCSA-N 579.763 4.798 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 224071989 SVMIYFSRMFCMDW-FQEVSTJZSA-N 573.662 4.501 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccc(C)c(Cl)c2)cc1 224364956 RZKSNPYDJCOJEB-UHFFFAOYSA-N 620.193 4.522 0 40 KJAB COc1cc2c(cc1OC)N(Cc1ccccc1F)S(=O)(=O)C(C(=O)NCC1CCCCC1)=C2C 224595128 WAXBXXNYXLUDOR-UHFFFAOYSA-N 502.608 4.620 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(CN3CCCC3)c2)c2ccc(C)cc2C)cc1 224596077 XVFJGULJXNJBRA-UHFFFAOYSA-N 505.684 4.719 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 224989142 QUXMVLOTKWLGOR-LJQANCHMSA-N 554.540 4.668 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 225023565 GCTWOUXPPRNVJC-LOSJGSFVSA-N 595.762 4.848 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 225151772 VJMGLQICBWTWFS-FCHUYYIVSA-N 662.205 4.902 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225184057 KLPLISPYISOJPP-HSZRJFAPSA-N 629.751 4.771 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C(=O)OC)cc1C 225284591 QSOSGOCEFYNQPQ-VSGBNLITSA-N 555.660 4.729 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225286865 CPDPGOAECXYRLX-GDLZYMKVSA-N 607.773 4.560 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225339263 UARZLPYQSVLSSE-SSEXGKCCSA-N 621.800 4.869 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225452517 CIMFQLMDBVZCBG-LEWJYISDSA-N 555.663 4.626 0 40 KJAB CCOCCCn1c(SCc2nc(-c3ccc(Br)cc3)no2)nc2ccccc2c1=O 225534247 QHDUEJRYVFXBFN-UHFFFAOYSA-N 501.406 4.928 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)c2ccc(Cl)cc2)cc1 225579708 LKLLMGPMRRTCJO-NRFANRHFSA-N 560.091 4.925 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 225619691 ZEJPHEJWGFYWKT-SFHVURJKSA-N 542.529 4.825 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 225709156 KDVCIOXETCHPCO-BXKMTCNYSA-N 570.539 4.684 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 225753813 KWBKWKKVMBUTSC-RBJSKKJNSA-N 595.762 4.930 0 40 KJAB C[C@@H]1CCCCN1c1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NCc2ccc(F)cc2)n1 225948406 KGJWGIXPYAFCMJ-OAQYLSRUSA-N 519.694 4.808 0 40 KJAB CNc1nc(-c2ccc(OC)c(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)c2)cs1 226078615 RYRUQLXZYJBVOK-UHFFFAOYSA-N 536.679 4.998 0 40 KJAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)C4CCN(S(=O)(=O)c5ccc(OC)c(Cl)c5)CC4)cc32)cc1 226079960 TURLDWCHDIUSPF-UHFFFAOYSA-N 584.094 4.600 0 40 KJAB COc1cc(Br)cc([C@H]2C[C@@](C)(NC(C)=O)C[C@@H](c3ccc(F)cc3)O2)c1OCC(=O)O 257288577 PUUVMUSWZONKIE-MZKRTTBSSA-N 510.356 4.548 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1 260747651 AOURPAFHFZCFIV-MRXNPFEDSA-N 590.957 4.898 0 40 KJAB 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CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 261048451 ZRCSPEJUYWJOCD-VXKWHMMOSA-N 536.138 4.835 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 261057110 NCGMDBPNDLPSIH-HHHXNRCGSA-N 616.180 4.678 0 40 KJAB COc1ccc(CCNC(=O)C(=O)Nn2c(C(=O)Nc3ccc(Cl)cc3)cc3cc(Br)ccc32)cc1OC 408578449 UWONZAHMFHHCLI-UHFFFAOYSA-N 599.869 4.756 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccc(C)cc2)cc1 408621161 OMNMWFRGKOTGPL-UHFFFAOYSA-N 547.599 4.567 0 40 KJAB COc1ccc(OC)c(NC(=O)C2=C(C)N=C3N=CNN3[C@H]2c2cccc(OCc3ccc(C)cc3)c2)c1 408622203 BHUDHYUDSVBWRP-MHZLTWQESA-N 511.582 4.763 0 40 KJAB CCCCOC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(C)c(Br)cc2C)c1 408660416 LJCJGIAPTFIKJZ-UHFFFAOYSA-N 533.419 4.923 0 40 KJAB Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 408664944 YZCGZQOOZKLHDH-SHRQFBHGSA-N 569.013 4.915 0 40 KJAB CCCC[C@@H](C(=O)OCC(=O)Nc1ccccc1OC)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408690000 SZCAIGMRAVOHOM-UIBNLCEQSA-N 552.627 4.628 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408854772 AXMORYGEAQNZIH-UNDLXJOSSA-N 612.704 4.863 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCCCC4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408864721 YRCMGNUGEHIWLB-SEXPAEGTSA-N 695.430 4.924 0 40 KJAB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 408901789 CGGIWPZRNLBAKV-XKZIYDEJSA-N 615.424 4.617 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC)c(OCC)c3)c(=O)n2[C@H]1c1cccs1 408910485 IMVJLYWKGVVWQP-HCWVEKLQSA-N 560.697 4.795 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O[C@@H](C)CC)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408943435 SOASONSSGXHUDZ-UBKOVNRKSA-N 564.704 4.771 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(Oc4nc(Cl)ncc4F)c3)c(=O)n2[C@H]1c1ccccc1Cl 409004568 AMYQIDOJQMQQBA-JUTHHCEFSA-N 615.470 4.835 0 40 KJAB 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CCCCOC(=O)CN1C(=O)S/C(=C\c2cc(I)c(OCCC)c(OCC)c2)C1=O 409205564 DBFGQGSJXIXFFH-ATVHPVEESA-N 547.411 4.858 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(N4CCC(C)CC4)o3)c2=O)=N1 409271619 VKOHSSIDBUXKAR-RFZPLYKNSA-N 556.663 4.842 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(I)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 409384059 YTRJUEZBQWQBHI-UHFFFAOYSA-N 554.381 4.663 0 40 KJAB O=C1C[C@@H](C(=O)N2CCN(Cc3ccccc3)CCCNc3ccccc3C2)CN1CCc1ccc(F)cc1 643553431 URSUAKJYGXKZHJ-MUUNZHRXSA-N 528.672 4.563 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 905854 MWFSYVWRQMKMMX-LJAQVGFWSA-N 511.626 4.659 0 40 KJAB COC(=O)c1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2cccc(F)c2)cc1 906045 RXVKZIRYLLJAQM-NDEPHWFRSA-N 543.599 4.580 0 40 KJAB COc1ccc(NC(=O)[C@H](c2ccc(F)cc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 1418954 HTVLLTVJWZDCJJ-LJAQVGFWSA-N 523.568 4.988 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4ccccc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 2148327 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223708012 VDZSWGUUPPVWNS-ZDUSSCGKSA-N 555.311 4.620 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 223789804 UVYUTRLMYIWVPT-JOCHJYFZSA-N 572.127 4.796 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224012876 DKPWCEWUYJNCKE-MUUNZHRXSA-N 671.813 4.649 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 224028936 PRMWKDNAXFVVEA-VWLOTQADSA-N 577.747 4.983 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C)c(Cl)c2)c2cccc(Cl)c2)cc1 224136291 LKCVQXSOVHYYDE-UHFFFAOYSA-N 523.438 4.701 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 224360432 OKUFFAGHEDJZEJ-RUZDIDTESA-N 534.122 4.607 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224719956 UZFSOGCJQRPSJM-VWLOTQADSA-N 605.757 4.828 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1Cl 224777336 AMLVRAGXIXBYKX-NDEPHWFRSA-N 570.155 4.888 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 224858493 XKDSIHVVEUIVGY-JOCHJYFZSA-N 572.555 4.656 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 224886553 KCDMYOJLSPIZNT-KRWDZBQOSA-N 558.503 4.765 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 225021551 URICOXRKAXRLPU-LOSJGSFVSA-N 535.710 4.831 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 225383566 BDYMLCUVFDBAJY-LJQANCHMSA-N 548.492 4.660 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 225481094 OONVGQWFJBPFHZ-SSEXGKCCSA-N 596.769 4.612 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC)S(=O)(=O)c1ccc(C)cc1 225503047 ABYOEMSWRZHOHA-HKBQPEDESA-N 599.753 4.975 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 225656314 MDZUFZWPUKNEOM-ATIYNZHBSA-N 533.710 4.711 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225708291 PIROQEVYLKOKPN-MHZLTWQESA-N 581.735 4.540 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 225721561 VOALVQWRBPPTFK-MHZLTWQESA-N 535.710 4.831 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 225740070 PWCNDEQOODSNBH-HYBUGGRVSA-N 585.598 4.945 0 40 KJAB COc1cccc(CN(CCc2ccccc2)C(=O)COc2c(OC)cc(Br)cc2C(=O)O)c1OC 257206351 BCYKNPRYPHJJTI-UHFFFAOYSA-N 558.425 4.823 0 40 KJAB Cc1ccc(CN(C(=O)CCCN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 260713559 DLSUAZQGHALWJY-HXUWFJFHSA-N 541.636 4.502 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 260751072 BDQFQLSRBCTOTJ-XMMPIXPASA-N 623.772 4.692 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)c2ccccc2)cc1 260782489 LAEGTDRCGHQTCR-XMMPIXPASA-N 563.720 4.675 0 40 KJAB 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CCCCOC(=O)c1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 408609385 NDCYCVYUSYDZLA-UHFFFAOYSA-N 524.639 4.790 0 40 KJAB COc1ccc(NC(=O)C2=C(C)N=C3N=CNN3[C@@H]2c2cccc(OCc3ccc(C)cc3)c2)c(OC)c1 408627789 PVDSTTBOWCNXFF-HHHXNRCGSA-N 511.582 4.763 0 40 KJAB Cc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408658843 RPTMKWHKABISOK-GFCCVEGCSA-N 500.176 4.599 0 40 KJAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(C(=O)OCC(=O)c5ccccc5)cc4)cc3)C(=O)[C@H]2C1 408677101 DSGYMTHSYYLIPA-FTJBHMTQSA-N 522.557 4.824 0 40 KJAB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](c5ccccc5)CC[C@H]4C3=O)c2)c(OC)c1 408683117 HKUDHZWWOFNMKO-ZPZUNKDASA-N 542.588 4.573 0 40 KJAB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(Br)c(I)o3)c(=O)n21 408948042 KCJJDIGTRXOVRG-IISPMBILSA-N 722.193 4.918 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1 408990276 WQPOSNIYURTLKP-VEOZPNHKSA-N 561.059 4.606 0 40 KJAB CCOc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCC)c(OC)c3)N(C)C2=S)cc1 409036512 RPJHUMXOFTZHES-PDGQHHTCSA-N 538.407 4.702 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1 409110492 CQYSNRSYNPQLOY-UHFFFAOYSA-N 553.990 4.736 0 40 KJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(O)c(I)c3)C2=O)cc1Cl 409177642 BJKHSFHZNYZVTD-APSNUPSMSA-N 528.755 4.634 0 40 KJAB COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 409231983 MIXNPKKBZCYKEC-WSDLNYQXSA-N 550.409 4.877 0 40 KJAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)C1=O 409243116 VQSVZWMTAMVLOL-CIAFOILYSA-N 584.398 4.716 0 40 KJAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCC(C)CC5)o4)c(=O)n32)c1 409271868 DIOJJKRAJJYPDV-NLTKXKDSSA-N 568.699 4.712 0 40 KJAB COc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)ccc1OCC(=O)Nc1cccc(C)c1C 409272858 SYJYWJGNJQGVJV-UHFFFAOYSA-N 503.668 4.823 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OCC)c(OC)cc3Br)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 409337640 WTBZPKLJKLEEEH-VAJXBNCCSA-N 696.414 4.748 0 40 KJAB Cn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 409341858 FXUVGLOIORAMPR-UHFFFAOYSA-N 502.786 4.575 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(Cl)cc3Cl)n2C)c1 409365573 YPMAUTWLEKSZDB-ZDUSSCGKSA-N 536.441 4.520 0 40 KJAB Cc1cccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)c1 409380148 JFSPKRZFGXOUKQ-RTWAWAEBSA-N 516.333 4.776 0 40 KJAB O[C@@]1(COc2ccc(Cl)c(Cl)c2)CCCN(Cc2ccc(OCCN3CCOCC3)cc2)CC1 585270236 ARKKJBZOVRKRFX-SANMLTNESA-N 509.474 4.500 0 40 KJAB C[C@@H]1COc2ccccc2CCCCC2(CCN(C(=O)Cc3cc(Cl)c4c(c3)OCCCO4)CC2)C(=O)N1 643561804 APGXXPNHGBURET-OAQYLSRUSA-N 541.088 4.963 0 40 KJAB O=C(c1cnc(N2CCOCC2)nc1)N1CCC2(CCCCc3ccccc3OCCN(Cc3ccccc3)C2)CC1 643568954 HFOYTBZTTOCXEL-UHFFFAOYSA-N 569.750 4.843 0 40 KJAB CC(C)CCN1CCOCCOc2ccc(C(=O)NCCN3CCCCC3)cc2Cc2cccc(c2)C1 643580737 SMIPYDIZZHWQGA-UHFFFAOYSA-N 507.719 4.750 0 40 KJAB Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1 925012 RIJGCANQNAVLOT-UHFFFAOYSA-N 504.637 4.583 0 40 KJAB CC(=O)c1ccc(N(C(=O)[C@H]2COc3ccccc3O2)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1 930910 VDKBIYSXYDHGDR-WDYNHAJCSA-N 528.605 4.958 0 40 KJAB CCCc1c(C)c2ccc(OC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)cc2oc1=O 1805019 LIRRRZVNGDMUFZ-SANMLTNESA-N 505.592 4.988 0 40 KJAB CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccccc3)C(=O)N12)C(=O)Nc1ccccc1OC 2968232 KTSZMPOWVXYYRJ-ZCYQVOJMSA-N 555.660 4.511 0 40 KJAB COc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc3n2)cc1 3239488 RKWLWOWDHRRCCD-HXUWFJFHSA-N 536.588 4.892 0 40 KJAB CCOC(=O)C1=CC2(SC(C(=O)OC)=C(C(=O)OC)S2)C2=C(S1)C(C)(C)Nc1c(OCC)cccc12 5949472 AWVVFTNLLBQNHF-UHFFFAOYSA-N 549.692 4.928 0 40 KJAB CC(C)CCNC(=O)[C@H](c1cccs1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1cccc(F)c1 6134639 MMIRJJKOOMYNFM-DEOSSOPVSA-N 524.597 4.617 0 40 KJAB CCc1ccccc1NC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 6135506 HTNKJJIGDGKPGT-UHFFFAOYSA-N 515.591 4.947 0 40 KJAB COc1cc(NC(=O)c2ccc(CN(c3ccccc3F)S(=O)(=O)N(C)C)cc2)c(OC)cc1Cl 9694858 MTQDMBKMJDLJTR-UHFFFAOYSA-N 521.998 4.562 0 40 KJAB CCCOC(=O)c1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)sc2c1CCCC2 10212897 YETIGXAZUFMIBD-GOSISDBHSA-N 504.674 4.542 0 40 KJAB COc1cccc(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2cc(C)ccc2OC)c1 10300010 GGGFNKAAZNTLNY-UHFFFAOYSA-N 508.518 4.865 0 40 KJAB COc1ccc(N(CCCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(C)(=O)=O)cc1Cl 10331874 UKLKYPCZWGVJDF-UHFFFAOYSA-N 522.067 4.596 0 40 KJAB Cc1nc2ccc3nc(NC(=O)[C@H]4CCCN(S(=O)(=O)c5ccc(Cl)s5)C4)sc3c2s1 10767072 RMTHYBBNEIWGKE-NSHDSACASA-N 513.091 4.969 0 40 KJAB CCN(CC)c1ccc(NC(=O)c2ccc(Br)o2)cc1S(=O)(=O)Nc1ccccc1OC 12555358 MPRKVIQEAWQCRH-UHFFFAOYSA-N 522.421 4.950 0 40 KJAB CCOc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)CC)c2ccc(C)o2)c1 13032161 NEDFCFSEYXYHBH-AREMUKBSSA-N 503.603 4.811 0 40 KJAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cc2)C1 16043714 JCAJLJLCESYGQP-WOJBJXKFSA-N 507.660 4.590 0 40 KJAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1cccc(Br)c1 20018285 FHVYOKFLUKCIGZ-QGZVFWFLSA-N 501.446 4.880 0 40 KJAB Cc1cc(N(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)ccc1Br 20453581 PBKQXRXUKKBAIZ-DEOSSOPVSA-N 501.446 4.738 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)c2ccc(Cl)cc2)cc1OC 22369981 JDAJMRZRQQBFCC-HSZRJFAPSA-N 515.031 4.746 0 40 KJAB CCOC(=O)c1cc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)ccc1Cl 22428128 UWAUXRNFADNZCP-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB O=C([C@@H](Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 35958702 ZHJKKJFZCXMXKG-DYIKCSJPSA-N 535.688 4.707 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)Nc1ccc(F)c(F)c1F 59836995 JNRTVAPVYMWGHU-UHFFFAOYSA-N 515.307 4.685 0 40 KJAB O=C(C[C@H](c1ccc2ncccc2c1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12)N1CCOCC1 96114722 XJNQCXAJBGETAF-JOCHJYFZSA-N 522.557 4.800 0 40 KJAB biogenic Cc1cc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)ccc1OC(C)C 97951222 PPHUWKZRQKQCEP-ONUIUJJFSA-N 547.640 4.674 0 40 KJAB O=C(CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NCc2ccco2)CC1)NC1CCCCC1 98009666 JGJIQCFBAHRQSJ-UHFFFAOYSA-N 536.698 4.653 0 40 KJAB CCN(CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 98047182 GVRNVGFYZTXSLV-HSZRJFAPSA-N 559.457 4.858 0 40 KJAB CS(=O)(=O)c1ncc(N(Cc2ccccc2)Cc2ccco2)c(C(=O)Nc2ccccc2Br)n1 98048169 NGQGZKWDHZNQGO-UHFFFAOYSA-N 541.427 4.695 0 40 KJAB Cc1cccc(-n2c(/C=C3\C(=O)N(C)c4ccccc43)nc3ccc(I)cc3c2=O)c1 100022702 ZILWZJUYISVJJL-RGEXLXHISA-N 519.342 4.816 0 40 KJAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccc4ccccc4c3n2C)cc1 100861317 NIISJAAXDOVSEG-DQSJHHFOSA-N 501.633 4.955 0 40 KJAB O=c1cc(CSc2nnc([C@H]3COc4ccccc4O3)n2-c2ccccc2)nc2ccc(Br)cn12 102279517 ZXKPIWCNZQOHGO-OAQYLSRUSA-N 548.422 4.843 0 40 KJAB CCOc1ccccc1C(=O)[C@H]1[C@H]2CCCN2[C@]2(C(=O)Nc3c(Cl)cccc32)[C@]12C(=O)Nc1ccccc12 102776632 IQUHXFHRBYUFTH-MMWYEGISSA-N 528.008 4.753 0 40 KJAB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3I)cc2Cl)CC1 103932937 IRIWYJZPQPXAFN-UHFFFAOYSA-N 525.818 4.892 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NC3CCCCCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 108449622 JYJXBRVMLJJYAS-DEOSSOPVSA-N 551.684 4.504 0 40 KJAB biogenic CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 222721153 XMSVEGKJODJPIW-OAQYLSRUSA-N 548.920 4.745 0 40 KJAB O=C(NCCN1CCOCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 223090602 YWMBNOVIDCBMGY-UMSFTDKQSA-N 709.240 4.747 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 223137290 TYLJEDGYGCFXLM-MHZLTWQESA-N 535.710 4.912 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 223222527 VQCGCOWTUXKQNE-ZWKOTPCHSA-N 572.953 4.509 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 223616511 ODXQERLGICCTPE-SKCUWOTOSA-N 616.180 4.678 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1 223810149 GQHGKYMRHHMALF-SFHVURJKSA-N 574.065 4.909 0 40 KJAB Cc1c(Cl)cccc1N(CCCC(=O)Nc1ccccc1C(=O)NCc1ccccc1)S(C)(=O)=O 224099267 ZLFMOVGIVMRTQS-UHFFFAOYSA-N 514.047 4.763 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1OC 224159179 HJVYROVMQDBGRL-QHCPKHFHSA-N 599.725 4.536 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 224338144 PXLXOYWCUDYIMO-GOSISDBHSA-N 560.519 4.868 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 224487833 NSZNJICUWKBKOP-HSZRJFAPSA-N 556.128 4.767 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 224554865 LQHDCMVDRGIKSF-AREMUKBSSA-N 606.572 4.934 0 40 KJAB CCOc1ccc(N(CC(=O)NCc2ccccc2CN2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 224821285 KLMJHRZWCIHGLU-UHFFFAOYSA-N 539.673 4.722 0 40 KJAB COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(OC)ccc1OC 224856954 QXPOHUPYTUPUKW-CLJLJLNGSA-N 514.607 4.853 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 224859600 YYPHSENLTHKSCQ-AREMUKBSSA-N 667.997 4.875 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 224911045 YNPLTRUEJOCPNA-AREMUKBSSA-N 576.546 4.924 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224924104 GOFNFFIZORDBLK-RLLQIKCJSA-N 534.484 4.501 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 225123900 MGSGWTQIMFVPBO-MHZLTWQESA-N 606.572 4.933 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 225145331 WBURRLGOGDXVIE-VQTJNVASSA-N 522.111 4.561 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 225177719 AKDFMYDAZFOIDR-GDLZYMKVSA-N 565.736 4.841 0 40 KJAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 225238612 PRZBYZNBDVNABJ-UHFFFAOYSA-N 538.710 4.755 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)O)cc2)cc1C 225277858 GFFPQEHJUCVYGR-KAYWLYCHSA-N 541.633 4.641 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 225584047 WKRKNFRMRCFAFR-YTTGMZPUSA-N 599.753 4.893 0 40 KJAB COc1ccc(CCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)cc1OC 225805671 NMADQUFTOJCJKY-UHFFFAOYSA-N 533.071 4.693 0 40 KJAB C[C@@H]1C[C@@H](C)CN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCc3ccc4c(c3)OCCO4)n2)C1 226015227 MBQLXHRXPGEYRV-DHIUTWEWSA-N 573.767 4.543 0 40 KJAB COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2nc1O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 253499050 MEVDNDCKKRHIBG-ZEQKJWHPSA-N 537.064 4.614 0 40 KJAB Cc1cc(OCC2(CC(=O)N3CCOCC3)CCN(C(=O)c3ccccc3Cl)CC2)ccc1Cl 257257673 KQRDCTIPDIWWBZ-UHFFFAOYSA-N 505.442 4.852 0 40 KJAB Cc1cccc(S(=O)(=O)N2CCC[C@](COc3ccccc3)(CC(=O)N(C)Cc3ccccc3)C2)c1 257264909 LWMGDAPPVVQPMU-LJAQVGFWSA-N 506.668 4.894 0 40 KJAB O=C(NS(=O)(=O)c1ccccc1Br)c1ccccc1OCc1ccc(Br)cc1 257272910 NEJBAPUEEXNHAR-UHFFFAOYSA-N 525.218 4.909 0 40 KJAB O=C(O)CN(CCc1ccc(Cl)cc1)C(=O)[C@H]1OCC(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccccc1 257277607 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0 40 KJAB COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2cc(C)cc(C)c2)c1OC 100365414 AJDNGJCAMZFEJW-LJAQVGFWSA-N 541.652 4.899 0 40 KJAB CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccccc3OC)C(=O)N12)C(=O)NC1CCCCC1 102740954 BRHCXIOUFQPIMA-RSXGOPAZSA-N 575.735 4.711 0 40 KJAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cc(S(=O)(=O)N4CCOCC4)ccc3C)n2-c2ccccc2)cc1 103126821 HBHREJZPYRWSJX-JOCHJYFZSA-N 577.732 4.691 0 40 KJAB COc1cc(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1N1C(=O)c2ccccc2C1=O 105024985 CWSKZZVEOLLMCY-UHFFFAOYSA-N 530.389 4.938 0 40 KJAB COc1ccc(C(=O)O)cc1NC(=O)/C(=C/c1cccc(OC)c1OC)NC(=O)c1ccccc1Br 113561821 BTSRLKQHGKWOJP-MOSHPQCFSA-N 555.381 4.583 0 40 KJAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc4ccccc4c3Br)cc2)n1 215958791 YLIBRUBBSDZHTP-UHFFFAOYSA-N 527.400 4.519 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Br)c(C)c1 222537143 KMGOXPKVTJEKFL-JPYJTQIMSA-N 505.453 4.867 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3c4ccc(Br)cc4C[C@@H]3C)C2)c(C)c1 222563459 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4.985 0 40 KJAB Cc1cc(C)c([C@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1C 223422627 DFUIKTKIZGXDPP-FQEVSTJZSA-N 512.603 4.595 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(Cl)cc1 223617111 XOGFMSWOQRGQKR-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB CCOc1ccccc1N(CC(=O)NCCOc1ccc(C)cc1C)S(=O)(=O)c1ccc(Cl)cc1 223840671 JYIXLXWXBRLXKP-UHFFFAOYSA-N 517.047 4.746 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1 223871606 VVDRHJJWZIITBY-QFIPXVFZSA-N 567.683 4.506 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 224342184 PKDJCRXYXUKMID-QFIPXVFZSA-N 584.964 4.735 0 40 KJAB O=C(CSCc1c(Cl)cccc1Cl)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224357962 VPGLLKGPJHRDGU-UHFFFAOYSA-N 517.500 4.596 0 40 KJAB Cc1cccc(C)c1N(Cc1ccc(C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1)S(C)(=O)=O 224516882 OJMSCISTOXBXMS-UHFFFAOYSA-N 510.641 4.653 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 224637498 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KJAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 225028735 DYQRSBFBWODOLS-MHZLTWQESA-N 600.579 4.543 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 225048796 PKGYXBVGNNPRCV-XMMPIXPASA-N 578.573 4.780 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 225292990 KDAFDXAMVZGCDS-JKSUJKDBSA-N 548.920 4.745 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 225304408 KVFMTYWBVBGOLE-XMMPIXPASA-N 572.555 4.882 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 225368456 CDKFCTVPIKNUDZ-LJAQVGFWSA-N 565.736 4.841 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 225397576 AGHFHOJEEVBYKY-PMERELPUSA-N 595.762 4.931 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1C 225479370 VGMMQFGVSBPVOA-VWLOTQADSA-N 535.710 4.749 0 40 KJAB 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CC(=O)c1cccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c1 260962535 YRIXQDZUDSRVTK-GDLZYMKVSA-N 598.165 4.721 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 261048500 ZSQQMCXRJVTDMS-LXFBAYGMSA-N 551.709 4.613 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 261097138 VHVXOMBZUXCNJD-FYBSXPHGSA-N 563.764 4.878 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)sc2c1CCC2 408602004 BMVHYCMNXRUQOV-UHFFFAOYSA-N 549.070 4.910 0 40 KJAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)c(C)c2)CC1=O 408638128 BHGRHIFUNRDRFG-JKMAKKBCSA-N 525.001 4.541 0 40 KJAB C[C@H](NC(=O)COC(=O)CCCCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccccc1 408676021 CNKCCNHSFJAAGB-QVWGCRBRSA-N 550.655 4.860 0 40 KJAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)c1 408702312 BCEBGEQBRANILG-VWLOTQADSA-N 539.009 4.940 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC(C)C)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408985611 NXKPNONFVCJZEK-OINPTKSXSA-N 584.694 4.740 0 40 KJAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)C1=O 409084316 BDPNOKFVYRVBMV-SGEFVQMOSA-N 571.364 4.616 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1cccc(F)c1 409101581 YNJRQWLWFPGVKF-OEAKJJBVSA-N 503.530 4.643 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(Br)c1OC 409154115 FVDOBUWVPZZAJU-VCHYOVAHSA-N 505.390 4.758 0 40 KJAB CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1OC 409184503 YPKAFDFHOBUVBS-OCKHKDLRSA-N 553.420 4.927 0 40 KJAB COc1cccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)C(=O)O2)c1 409195575 WNSNPZLQLHAJGU-ODLFYWEKSA-N 522.307 4.750 0 40 KJAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3-c3cccc(Br)c3)C2=O)cc1 409228616 ZZNSMHZLENYHOF-DEDYPNTBSA-N 512.385 4.923 0 40 KJAB CC(C)OCCCNC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 409322443 XGFCHHVHBXBWFW-UHFFFAOYSA-N 507.867 4.769 0 40 KJAB CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 409344604 HOSVJTCWLLRUJI-CYBMUJFWSA-N 536.441 4.613 0 40 KJAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccc(I)cc3C(C)C)n2C)cc1 409350947 UZINWQFXBZPQFW-UHFFFAOYSA-N 563.465 4.764 0 40 KJAB C[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2c(F)cc(F)cc2Br)n1C 409362429 UTRVERAHWSRKGO-JTQLQIEISA-N 544.809 4.731 0 40 KJAB CS(=O)(=O)N1CCC(CC(=O)N2CCC3(CCCCc4ccccc4OCCN(Cc4ccccc4)C3)CC2)CC1 643569238 PHNQOIOVAVWMOY-UHFFFAOYSA-N 581.823 4.965 0 40 KJAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N(Cc1cccs1)C[C@H]1CCCO1 782353 NVTSFEFOMWXOEK-HYBUGGRVSA-N 506.676 4.800 0 40 KJAB COc1cccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 933324 ARNORCHRVOHRER-UHFFFAOYSA-N 528.696 4.697 0 40 KJAB Cc1ccc(S(=O)(=O)c2c(NS(=O)(=O)c3ccc(F)cc3)n(C[C@@H]3CCCO3)c3nc4ccccc4nc23)cc1 1260824 MLNMTRJNYHYVMF-FQEVSTJZSA-N 580.663 4.845 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)N3CCN(c4cc(Cl)ccc4C)CC3)cc2c1 1382387 OQQYFSOOLVDYOU-MHZLTWQESA-N 544.059 4.592 0 40 KJAB COc1ccc(-n2c(SCC(=O)c3ccccc3)nc3ccc(I)cc3c2=O)cc1 2325302 LGFAMEVVZJPDKF-UHFFFAOYSA-N 528.371 4.974 0 40 KJAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)Cc2cc(S(=O)(=O)Nc4ccc(NC(C)=O)cc4)ccc2-3)cc1 2690046 ABESPIRPDDGAAB-UHFFFAOYSA-N 590.683 4.776 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N(Cc3cccnc3)Cc3ccco3)cc2c1 6135368 IBBVLMRSRAHRQI-GDLZYMKVSA-N 531.620 4.905 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c(I)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 8407331 SQTWGJZVIFOOTL-OBXYEHHASA-N 720.754 4.670 0 40 KJAB COc1ccc([C@@H](C(=O)Nc2ccc3c(c2)OCO3)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1OC 8713002 OXBGEDQCJHQWQA-HKBQPEDESA-N 579.613 4.586 0 40 KJAB CCCCCCNC(=O)[C@H](CCSC)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12 8876260 YHMQTQSVEOMQTG-KLJDGLGGSA-N 532.710 4.572 0 40 KJAB biogenic COc1cc(C(=O)NC(=S)Nc2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC 9087444 HBZDQSGIPZLMIV-UHFFFAOYSA-N 508.419 4.725 0 40 KJAB COc1ccc(-c2c(C(C)C)nn3c4c(nnc23)C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C4)cc1 10156981 PZVZZQKMTDJWKV-QGZVFWFLSA-N 502.571 4.862 0 40 KJAB CCOc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 13029967 OENLFSLAXRRTKF-NDEPHWFRSA-N 515.589 4.802 0 40 KJAB CC[C@H](C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714710 ROWSJQLOPIPROG-AREMUKBSSA-N 526.102 4.818 0 40 KJAB CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 14224955 JSMBNEDXGMBIBH-UHFFFAOYSA-N 501.413 4.994 0 40 KJAB Cc1nc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1I 14275614 AVTFECPPAAAMKN-UHFFFAOYSA-N 503.365 4.700 0 40 KJAB O=C(Nc1c(Cl)cccc1Cl)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 22509597 JSPGPLAIFNZXHW-UHFFFAOYSA-N 506.249 4.936 0 40 KJAB O=C(CNc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3)Nc1cc(Cl)ccc1Cl 25720957 TVGNWAYHVBSECU-UHFFFAOYSA-N 506.459 4.760 0 40 KJAB O=C(c1ccco1)N1CCN(C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 29747834 HEJVHZPELILUCS-GOSISDBHSA-N 561.274 4.731 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)CC1 59928898 ZLWMGWSEKWCODV-UHFFFAOYSA-N 562.519 4.996 0 40 KJAB Cc1cccc2cc([C@@H](c3nnnn3CCc3ccccc3)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)[nH]c12 100342201 RGNBEIIJMYKLLE-NDEPHWFRSA-N 573.623 4.996 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccc(F)cc2)c2ccccc2)cc1 100362504 JDRLEPZTUQHSNH-PMERELPUSA-N 537.595 4.666 0 40 KJAB CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1Br 100387297 RFZJVSLJHUHNIF-UHFFFAOYSA-N 531.461 4.758 0 40 KJAB CCOc1c(Br)cc(Br)cc1CNCCCSc1nnnn1-c1ccccc1 102558470 SLTPBBGHJGAWRG-UHFFFAOYSA-N 527.286 4.858 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 103048490 DZBGSNIPGRWJKM-UHFFFAOYSA-N 550.892 4.531 0 40 KJAB Cc1ccccc1Nc1nc(N)nc(CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCCC4)n1 103070681 IFDAWMMQLCFAET-INIZCTEOSA-N 535.699 4.627 0 40 KJAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)cc1 103101518 XPEWCPODIDHNRE-YTTGMZPUSA-N 609.704 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C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408682978 MCBPJHOMPNHARO-SFAAMIIKSA-N 549.410 4.756 0 40 KJAB CCOC(=O)Cn1c(C)c(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c2ccccc21 408809716 HQYWFSNWEHZDBU-KUSDHMTMSA-N 590.705 4.700 0 40 KJAB COC(=O)c1ccccc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 409018632 HXEDSKTWLGMSSC-UHFFFAOYSA-N 521.422 4.652 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409107121 VDGIMCJYZJCIEC-KZFLWGQDSA-N 550.931 4.581 0 40 KJAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(=O)Nc4ccccc4OC)c(OC)c3)C2=O)cc1 409162938 JSCCYJBVVSYOCS-QQXSKIMKSA-N 591.642 4.795 0 40 KJAB CCOc1cc(/C=C2\N=C(c3cccc(OC)c3)OC2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 409191969 RIUCOUUMKOXPGY-MTJSOVHGSA-N 533.533 4.683 0 40 KJAB CCOc1cc(C(=S)N2CCN(C)CC2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C 409253301 BHDBTHKIPXVQQE-UHFFFAOYSA-N 540.911 4.750 0 40 KJAB CCc1ccccc1NC(=O)COc1ccc(C(=S)N2CCN(c3ccccc3F)CC2)cc1OC 409267318 STXPHCOGFRMTFA-UHFFFAOYSA-N 507.631 4.912 0 40 KJAB COc1ccc(C)cc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccc(Cl)cc2)C(C)C)n1C 409349864 ROTWOPIILWSEDO-OAQYLSRUSA-N 502.040 4.643 0 40 KJAB Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(Cc3cccc(OCCCN4CCCC4=O)c3)CC2)c1 585270717 INYKBPGETQMRFV-MUUNZHRXSA-N 501.067 4.836 0 40 KJAB C[C@H]1COc2ccccc2CCCCC2(CCN(C(=O)c3nc4cc(Cl)ccc4n3C)CC2)C(=O)N1 643563260 YDBIPTLQAXZTEX-IBGZPJMESA-N 509.050 4.759 0 40 KJAB CC(=O)N1CC[C@@H]2CC[C@H](CN(C(=O)CCS(=O)(=O)c3ccc(C)c(C)c3)Cc3ccccc31)N2Cc1ccccn1 643567734 SZOUVNWADBWEPE-XZWHSSHBSA-N 588.774 4.681 0 40 KJAB Cc1cccc2cc(CN(Cc3ccc4c(c3)OCO4)S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[nH]c12 913574 LJJLAQGMWXUBHO-UHFFFAOYSA-N 530.524 4.975 0 40 KJAB COc1cc(OC)c(OC)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 2156792 PNMAIHWIPMRDFL-ZJTZAHLKSA-N 545.060 4.998 0 40 KJAB COc1ccccc1N1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)s2)CC1 3209698 TWUAEEQFWRXHKK-UHFFFAOYSA-N 560.499 4.590 0 40 KJAB Cc1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)c(C)c1 3261860 MGVRCDOXMXSUAW-UHFFFAOYSA-N 513.015 4.894 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)C(C)C)cc1 3452801 KSIVEVMJAFTXMH-SANMLTNESA-N 504.608 4.872 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c2ccc3c(c2)OCCO3)cc1 7058876 SHTPWYDARJVJCD-LJAQVGFWSA-N 603.079 4.607 0 40 KJAB COc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3[C@]23N=C(c2ccccc2)OC3=O)cc1OC 8687164 MOAYBUZKDWDQOI-MYECLKKLSA-N 537.616 4.918 0 40 KJAB Cc1ccc([C@H](C(=O)NCc2ccco2)N(C(=O)CNC(=O)c2cccs2)c2ccc3c(c2)CCC3)cc1 12485546 GUUFQRRQJCJJTK-MUUNZHRXSA-N 527.646 4.959 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)CCC(=O)Nc1cc(C)on1)c1ccccc1 12491063 DUGVFWBGACOVFF-SANMLTNESA-N 506.603 4.790 0 40 KJAB CCOC(=O)Cc1csc(NC(=O)CSc2nc(C3CC3)nc3sc4c(c23)CC[C@H](C)C4)n1 12639614 QYNKYMAKOGLMQN-LBPRGKRZSA-N 502.687 4.986 0 40 KJAB CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccc(F)cc2)cc1 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Cc1cccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1C 59929301 KVXHEFWGOCNOFL-XMMPIXPASA-N 546.520 4.849 0 40 KJAB C[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(Cl)c3)N2C1=O)C(=O)O 70700682 JCNLHCQPZWWHQO-LMDNVDAOSA-N 542.979 4.507 0 40 KJAB biogenic CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](Cc4c[nH]c5ccccc45)N[C@]4(C(=O)Nc5c(C)cc(Cl)cc54)[C@@H]3C2=O)cc1 70706632 YWRRMKCECVYWLV-PCEYSVKOSA-N 553.018 4.500 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCCOc4ccc(C)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 97959101 VCBFWUMDVGUUEQ-CXABMRDKSA-N 614.720 4.582 0 40 KJAB COCCn1c(SCc2cc(=O)n3cc(Br)ccc3n2)nc2scc(-c3ccc(F)cc3)c2c1=O 98050549 DMRNLMDSIKXVDE-UHFFFAOYSA-N 573.469 4.973 0 40 KJAB O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCCCN1CCCCCC1 100076609 YYCHVPIHXQRWPH-UHFFFAOYSA-N 532.028 4.936 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(C(F)(F)F)c1 100294815 MENCPJRZIOVPLY-KOYCNSKZSA-N 616.058 4.645 0 40 KJAB COc1ccc(CNC(=O)[C@H](c2ccncc2)N(C(=O)Cn2nnc(-c3ccccc3F)n2)c2cnc3ccccc3c2)cc1 100330109 WTMWVUHAIBQUAA-HKBQPEDESA-N 602.630 4.522 0 40 KJAB COc1ccc(CCN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)[C@@H](c2nnnn2Cc2ccccc2)C(C)C)cc1OC 100388145 YARDWRPQORKMRK-WJOKGBTCSA-N 596.688 4.751 0 40 KJAB CCOc1cccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NCc2ccco2)c2ccc(C)cc2)c1 100413607 MFIGZFXMUZIDRN-HHHXNRCGSA-N 531.634 4.869 0 40 KJAB CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1 101589942 GCLWSTWYOXDTFT-BKKFENPESA-N 557.400 4.773 0 40 KJAB COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)cc1S(=O)(=O)N1CCCCC1 103027287 ROVRGAVTXBUMBH-UHFFFAOYSA-N 554.024 4.576 0 40 KJAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)c(Br)c3)cc2Cl)CC1 105316754 HIPMRJRKFWWTHM-UHFFFAOYSA-N 553.910 4.687 0 40 KJAB CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1cc(Br)ccc1OC 112254040 ZNYALMGPXRPDQW-UHFFFAOYSA-N 574.497 4.822 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(=O)C45CC6CC(CC(C6)C4)C5)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 150416478 GVFCVAJYJGHNIK-PZYARVTFSA-N 642.774 4.937 0 40 KJAB O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 150449744 XHOZPJDYZJFAEB-UHFFFAOYSA-N 690.027 4.557 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 214690129 GUTXLFBSPTZOAC-BUVRLJJBSA-N 531.590 4.696 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 223087469 URSLDRZSSPADKW-VWLOTQADSA-N 542.101 4.706 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](CC)C(=O)NC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 223172628 UZYIOCFBFVQXQW-SANMLTNESA-N 618.152 4.505 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 223477815 MBFMSEOOTAEFDY-NRFANRHFSA-N 564.482 4.760 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C)cc2C)c2ccc(Br)cc2)cc1 223570953 HWHQATQLEMJKHB-UHFFFAOYSA-N 531.472 4.765 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(SC)cc1 223575790 OMIQQZLAAXPPQR-HSZRJFAPSA-N 583.776 4.864 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(SCC(C)C)s2)c2cccc(Cl)c2)cc1 223748430 XHKCKEINDFLRGT-UHFFFAOYSA-N 527.093 4.782 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O)[C@@H](C)C(=O)NC1CCCC1 223777776 AKMXDNNGYNQFRP-QFIPXVFZSA-N 548.149 4.979 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223930999 PQHVFVLZSSWBQQ-HSZRJFAPSA-N 600.565 4.644 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(SC)cc1 224033081 HAOIRTAVHBDDJU-QFIPXVFZSA-N 599.775 4.565 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224183793 RVAJXAIQMVXKCP-MHZLTWQESA-N 614.164 4.781 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 224235975 YSKYCHVJCJYZLB-AREMUKBSSA-N 527.731 4.716 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 224571440 NYKSXSDFDVQBFK-HSZRJFAPSA-N 542.529 4.647 0 40 KJAB C[C@H](C(=O)NCc1cccc(CN2CCCC2)c1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 224603414 ZMUFIESQOUEYKB-JOCHJYFZSA-N 507.656 4.546 0 40 KJAB CCSc1nnc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(C(C)(C)C)ccc3O2)s1 224639821 GHANIGHNELJJBA-FQEVSTJZSA-N 548.712 4.551 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 224653065 FWZUXORSWDWIEQ-HHHXNRCGSA-N 529.747 4.738 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 224892902 DCDKIRQBQZMPPT-PMERELPUSA-N 595.762 4.787 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc4c(c3)sc(=O)n4C)Oc3ccc(C(C)(C)C)cc32)cc1 225055238 NDCMOHNCNRXHTE-DEOSSOPVSA-N 567.689 4.501 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 225150681 VPTYKNJWGBTXBF-JOCHJYFZSA-N 572.127 4.878 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 225228393 FSXGPQAPJRMZSU-MHZLTWQESA-N 572.127 4.878 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 225235898 PHVQMUMVFMBIDX-JOCHJYFZSA-N 646.604 4.995 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 225392999 NNLIZVAJCXYUIX-MHZLTWQESA-N 572.127 4.878 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225485715 JXRFNTURUMZUAL-GBXCKJPGSA-N 522.111 4.608 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 225537232 RGJNLZXQDCJNAO-FDDCHVKYSA-N 542.529 4.790 0 40 KJAB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(=O)O)c1)Nc1ccc(F)cc1 225597828 YZIHCXQLJZPALW-UIOOFZCWSA-N 529.597 4.711 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 225624046 QTZZKLBNOLMPFB-DYESRHJHSA-N 572.953 4.591 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 225637281 LWDARIJKHJKDRH-HOYKHHGWSA-N 558.091 4.887 0 40 KJAB 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CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 409230171 XHKCYCFQODTPLF-ZVHZXABRSA-N 595.027 4.989 0 40 KJAB COc1cc(C(=S)N2CCOCC2)cc(Br)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409263770 BYXLPROMHZDBDD-UHFFFAOYSA-N 534.259 4.790 0 40 KJAB Cc1cc(I)ccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2Cl)n1C 409348022 OHRGHSVHQYOSBN-CYBMUJFWSA-N 569.856 4.603 0 40 KJAB Cc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)Nc2ccccc2C(F)(F)F)c1 409383576 XCHJWEQQVRMKMT-FGZHOGPDSA-N 529.467 4.797 0 40 KJAB COC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O 524731582 CQHLQMHTJCWFOR-QYBDOPJKSA-N 529.492 4.625 0 40 KJAB biogenic COc1cc(CN2CCC[C@@](O)(COc3cc(C)ccc3Cl)CC2)ccc1OCCn1cccn1 585270187 COLMBZKZHXTYQK-MHZLTWQESA-N 500.039 4.729 0 40 KJAB COCC(=O)N1CCCN(C(C)C)CCN(C(=O)CN2CCC(c3ccccc3)CC2)Cc2ccc(Cl)cc21 643565489 GWXJQNCUAUTNTD-UHFFFAOYSA-N 555.163 4.642 0 40 KJAB CC(C)N1CC(=O)NCCCCCOc2ccc(CCC(=O)N(C[C@H]3C[C@H]4C=C[C@H]3C4)C[C@H]3CCCO3)cc2C1 643577369 ZGRMZBOYCUKEOP-XIYUWPQBSA-N 551.772 4.728 0 40 KJAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(Cl)c(Cl)c1 870019 GWJKPZIJLRNLIM-UHFFFAOYSA-N 507.395 4.594 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1O 906186 WZBKEBSTNPPBSM-NDEPHWFRSA-N 531.588 4.508 0 40 KJAB COc1cccc(CN(Cc2ccccc2OC)S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1 934016 QUDOSYVBXXUXMQ-UHFFFAOYSA-N 566.701 4.573 0 40 KJAB CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2C)ccc1OCc1ccccc1 2450959 VIEWMAMBWJAMJJ-SDHOMARFSA-N 537.410 4.903 0 40 KJAB CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(OCC)cc3)c(=O)c3cc(OC)ccc32)cc1 2690161 FCCQTMIVXOQACU-UHFFFAOYSA-N 500.551 4.677 0 40 KJAB Cc1cncn1CCc1nc2c3ccccc3nc(SCC(=O)Nc3ccccc3C(F)(F)F)n2n1 2969505 QSDUVYIIIGGBPL-UHFFFAOYSA-N 511.533 4.775 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCOC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 3207357 DSXGJKNLGJRNOD-UHFFFAOYSA-N 537.663 4.581 0 40 KJAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnnn2-c2ccccc2)sc2c1CCN(Cc1ccccc1)C2 3303887 NAQGWORPMXPDGL-SFHVURJKSA-N 548.694 4.578 0 40 KJAB CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 6074087 DMDSZIHMPQYRSR-NDEPHWFRSA-N 513.573 4.606 0 40 KJAB Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)cc2)c1 9234057 BPTKFMBKEPQPAY-BUVRLJJBSA-N 515.591 4.996 0 40 KJAB COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2cc(C)on2)c2ccc(F)cc2)cc1 12492642 WELYTNBSGQYKAB-RUZDIDTESA-N 510.566 4.539 0 40 KJAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3c(C)n(C)n(-c4ccccc4)c3=O)c2)c(Cl)c1 12758146 DVUTXCFMCYPGEC-UHFFFAOYSA-N 525.030 4.524 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1 13024054 HVLIEHBRUFALCZ-HHHXNRCGSA-N 529.641 4.836 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21 13024685 NECBJGZCRYEEGW-MHZLTWQESA-N 501.606 4.688 0 40 KJAB COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2cccc(OC)c2)cc1 13028608 MASGQOYUMRWQMP-LJAQVGFWSA-N 527.625 4.672 0 40 KJAB O=C(O)c1cc(-c2ccc(/C=c3\sc4nc5ccc(Br)cc5n4c3=O)o2)ccc1Cl 13151682 SSDANWONHVJNPV-NVMNQCDNSA-N 501.745 4.831 0 40 KJAB COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)COc2ccc(-n3cnnn3)cc2)cc1 14360384 NIEFPNHOUYOORG-MUUNZHRXSA-N 504.550 4.581 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1Cl 20006795 XFIMMBPDXHNUJL-OAQYLSRUSA-N 507.439 4.516 0 40 KJAB C[C@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1cccc(Br)c1 20010957 OTAFOCYMLRPWHB-KRWDZBQOSA-N 505.409 4.657 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2)c2ccc(Cl)cc2)cc1 20060917 KOISQIFTUZFXRL-UHFFFAOYSA-N 509.809 4.945 0 40 KJAB CCOc1cc([C@H]2C(C(=O)OC)=C(c3ccccc3)Nc3ncnn32)ccc1OCc1ccccc1F 59227912 RNZAEXDMIXNDLG-SANMLTNESA-N 500.530 4.994 0 40 KJAB O=C1C[C@@]2(CSc3[nH]c(=O)sc3[C@H]2c2cc(Br)cc(Br)c2O)C(=O)N1Cc1ccccc1 59690776 XVNWQZGRIQEPTN-ZHRRBRCNSA-N 596.322 4.850 0 40 KJAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccc(Br)cc1 59836948 QLSZRXFIVLKKEG-SFHVURJKSA-N 529.456 4.847 0 40 KJAB COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4COC(=O)Nc3ccc(C(C)=O)cc3)n(C)n2)cc1OC 67870660 YDJVUIZYVVFMTQ-ZTCOLXNVSA-N 518.614 4.733 0 40 KJAB biogenic,in-vitro CC[C@H](C)NC[C@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 98048122 GIFKPQFWZFWIBD-WFASDCNBSA-N 548.206 4.753 0 40 KJAB Cc1ccccc1Nc1nc([C@@H](C)N2CCN(S(=O)(=O)c3ccc(-n4cccn4)cc3)CC2)nc2ccccc12 100036005 XZCYJMFINUTSAR-HSZRJFAPSA-N 553.692 4.935 0 40 KJAB Cc1cccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1C 100289277 KGCDKHJZFKKUCV-AREMUKBSSA-N 532.645 4.991 0 40 KJAB O=C(CN1C(=O)CN=C(c2ccc(Br)cc2)c2c1sc1c2CCCC1)NCc1cccs1 100321269 JMMNZPGJINRLFI-UHFFFAOYSA-N 528.497 4.951 0 40 KJAB COc1cc(OC)cc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2C)c1 100364994 POMRBILFIKRZED-PMERELPUSA-N 541.652 4.899 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2cc(Br)cc(Br)c2O)C1=O)Nc1ccccc1 101972691 DPYXQFKOPFQKEW-AUWJEWJLSA-N 512.179 4.592 0 40 KJAB COc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)o2)N2CCCCC2)cc1 102269691 MHCBEGDDTJMKNN-JOCHJYFZSA-N 547.471 4.841 0 40 KJAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CSc2cc(C)ccc2C)ccc1N1CCOCC1 102998152 FQROPHGCWUNMLI-UHFFFAOYSA-N 541.695 4.680 0 40 KJAB COCCn1c(NS(=O)(=O)c2ccc(Br)cc2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 104105180 YCKUMVPFBBMEOH-UHFFFAOYSA-N 615.531 4.935 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N[C@H]3CCOC(C)(C)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 108450222 DMCANCKZKSVWFH-OZXSUGGESA-N 609.764 4.909 0 40 KJAB biogenic CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 111465544 HWIYIZCKIRSCIX-ZEKHAJRLSA-N 605.510 4.715 0 40 KJAB NC(=O)c1c(NC(=O)c2cc(I)cc(I)c2Br)sc2c1CCC2 150478364 LAFIJPIJICULHF-UHFFFAOYSA-N 617.044 4.560 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 215940285 BJFLOVAPFNBHOB-QFIPXVFZSA-N 620.591 4.863 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c2ccc(Cl)cc2)cc1 215986904 OVQVZHNHRAPAEC-UHFFFAOYSA-N 571.080 4.678 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 222420459 HWVWFZHBMIVNGM-IBGZPJMESA-N 548.492 4.660 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 222461947 WSMYVGQFQARTQN-HHHXNRCGSA-N 535.710 4.831 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 222511907 IKBGOKHETLDPBH-PWUYWRBVSA-N 565.736 4.921 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 222561138 UZWCFJQVZWRZLO-HHHXNRCGSA-N 572.127 4.876 0 40 KJAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2c3ccc(Br)cc3C[C@H]2C)CC1 222581909 MEGHISZZQSYSRL-OAHLLOKOSA-N 541.895 4.880 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)cc1 222686009 ONWASFMAEWUZNJ-LJAQVGFWSA-N 600.181 4.917 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 222710332 YERUXXNJIBYNIU-DEOSSOPVSA-N 582.937 4.799 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 222805208 GQZYJXMKKRKUQI-AREMUKBSSA-N 576.546 4.762 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 222809650 AIIOUNUHJIDQBZ-DEOSSOPVSA-N 627.388 4.908 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)c1ccc2c(c1)OCO2 222817460 FBGIIFBIKLUZAE-MHZLTWQESA-N 658.615 4.746 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1 223038174 BTJQWRJGXVVNTR-QFIPXVFZSA-N 567.708 4.586 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 223108945 YFPCHHZLNYDESQ-DHIUTWEWSA-N 569.699 4.670 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 223198274 ABUUOMMXWLMFFD-PMERELPUSA-N 557.716 4.690 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 223335333 IVAGRRFAMJTGNU-AREMUKBSSA-N 576.546 4.844 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 223427168 WOFVZFCVEFSHPY-XMMPIXPASA-N 551.709 4.533 0 40 KJAB CC(C)c1ccccc1OCCNC(=O)[C@H](C)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 223801459 QWVCXJBLHJKMAW-HNNXBMFYSA-N 506.974 4.832 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223809828 KYSBCXIJQKYZNO-HHHXNRCGSA-N 539.673 4.745 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 223939668 HNJKLYRJDQACCM-QFIPXVFZSA-N 616.578 4.905 0 40 KJAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 224060269 MANMNHZSGKZMBZ-MHZLTWQESA-N 529.747 4.616 0 40 KJAB Cc1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 224283845 KPSFXWHDHIHKIB-MHZLTWQESA-N 570.155 4.824 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O 224504940 XOQCAGGWCMZKOE-JOCHJYFZSA-N 558.503 4.765 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224649686 NEMXVPBJOBUHGN-MUUNZHRXSA-N 613.752 4.926 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224685653 HHBLVZFXZIHNGM-DEOSSOPVSA-N 611.761 4.550 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1)c1cccc(C(F)(F)F)c1 224717589 LVRNPFLVJLCLRM-UHFFFAOYSA-N 510.509 4.620 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1)c1ccc2c(c1)OCO2 224758960 XLCUJWQECPCAIN-UHFFFAOYSA-N 515.591 4.620 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 224970948 CIRWHEDAOIHKGG-GOSISDBHSA-N 542.529 4.826 0 40 KJAB Cn1c(=O)sc2cc(NC(=O)CN(c3cc(Cl)ccc3Cl)S(=O)(=O)c3ccccc3)ccc21 225049068 LVOWJVIWJMUJLN-UHFFFAOYSA-N 522.435 4.741 0 40 KJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 225054564 VXYIDNNHNBRQGD-DEOSSOPVSA-N 567.777 4.898 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 225211141 MWYHICRKYKXDIY-AREMUKBSSA-N 618.127 4.779 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 225219245 STVCTUXWOHWRIZ-LJQANCHMSA-N 548.492 4.660 0 40 KJAB Cc1cccc(CN(C(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 225285396 HMYIORKMCIXDGQ-JBOQNHBVSA-N 555.719 4.725 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O 225295355 OCXBZVQFXKTDQZ-QHCPKHFHSA-N 542.529 4.655 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 225303848 UAWPCOMZAYDZKD-HSZRJFAPSA-N 542.529 4.728 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 225526738 NQMYHBDEQCQZBC-UHFFFAOYSA-N 527.042 4.935 0 40 KJAB CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 225557045 CNJSCEFFYLLORP-NSOVKSMOSA-N 510.667 4.890 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 225578269 BRPFFRKODIQJCE-WJOKGBTCSA-N 629.779 4.902 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)c1 225654198 ASRYRMHYSHHYCN-VWLOTQADSA-N 565.736 4.758 0 40 KJAB Cc1cccc(C)c1N(Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1)S(C)(=O)=O 225803089 QHHDVURKZFWTJV-UHFFFAOYSA-N 512.075 4.885 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 260769554 HOFAFOODEFZBPK-HSZRJFAPSA-N 551.709 4.531 0 40 KJAB COc1cccc(CN(C(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)c1 260781784 IWWFLZLNLOQTIU-OAQYLSRUSA-N 564.148 4.761 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC(C)C)c1ccc2c(c1)OCCO2 260844680 CDFYSEGOQRPWNV-HHHXNRCGSA-N 658.615 4.541 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 260874995 BKNMBQXBXDIDID-AOMKIAJQSA-N 546.492 4.621 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](CC)C(=O)NCC(C)C)S(C)(=O)=O)cc1 260914978 RGIWHZVEWHQEJT-XMMPIXPASA-N 572.555 4.738 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)N[C@H](C)CC)c2ccc(F)cc2)cc1 260929530 WIRTZFBLRPJPRL-PKTZIBPZSA-N 569.699 4.752 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 260992430 QFBDSWPSEZHWJP-MBSDFSHPSA-N 600.565 4.990 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 261035752 XWFVAADJPOEPFL-VXKWHMMOSA-N 632.179 4.893 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1C 261059162 NJRPZBKOVIUXLG-MUUNZHRXSA-N 549.737 4.624 0 40 KJAB Cc1c(NC(=O)COC(=O)CN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)ccc(Br)c1Cl 408685554 LKVXUCYNUGIBKZ-TXFWVUOCSA-N 593.861 4.785 0 40 KJAB Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1C 408685755 RFMZIRATSFWLFN-PAYUHHOPSA-N 536.628 4.702 0 40 KJAB CC(C)C[C@H](C(=O)OCC(=O)Nc1ccc(F)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408687570 PBSIBEIZRBEQNC-BYVAMKTGSA-N 540.591 4.614 0 40 KJAB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)Nc4ccc(Br)cc4Cl)c3)C(=O)[C@H]2C1 408690720 WMPSKZZVLHIPOU-BVGQSLNGSA-N 533.806 4.824 0 40 KJAB O=C(NCCSCc1c(F)cccc1Cl)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 408695618 SAZCQPNCGWLPBE-UHFFFAOYSA-N 537.481 4.863 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C(=O)OCC)cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 408765892 BRCBDOCAXWTNEP-YNMQQHPQSA-N 618.733 4.624 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(O)c(Cl)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408834544 UOBZQVWJTSXMQO-PZDOZLBDSA-N 547.460 4.598 0 40 KJAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC(C)=O)c(Br)c4)c(=O)n32)c1 408934275 BSZJGJRQYKQYTJ-SUAMDDGLSA-N 618.509 4.570 0 40 KJAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4cccc(C)c4)cc3)c2=O)=N1 409029791 BLMJUBCXLQJCQN-FHMSYZJOSA-N 524.642 4.686 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Br)cc4)c(=O)n32)cc1 409084391 XCMZIPVOCUUJFS-ZMIGGIFCSA-N 560.473 4.645 0 40 KJAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)cc(I)c3O)C2=O)cc1 409101230 SERBSMOHDKQJOX-PXNMLYILSA-N 603.232 4.833 0 40 KJAB Cc1cc(I)cc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N 409170245 TYHHUOLHFICYQP-UHFFFAOYSA-N 548.237 4.918 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc(Br)c1OCC(=O)OC 409343541 DVDRCDJXDTVQGN-ZDLGFXPLSA-N 628.295 4.837 0 40 KJAB CC(C)c1nnsc1CNC(=O)c1ccc2c(c1)Cc1cccc(c1)CN(C(C)C)CCOCCO2 643579855 HWUROECKSQHRKO-UHFFFAOYSA-N 508.688 4.802 0 40 KJAB O=C(COC(=O)c1cccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccccc4)cc3C2=O)c1)c1ccccc1 797322 HGLFPPQNUMZZHQ-UHFFFAOYSA-N 547.519 4.567 0 40 KJAB COc1ccccc1CN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 933278 MSZBYUJWMKGOGE-UHFFFAOYSA-N 542.723 4.825 0 40 KJAB Cc1ccc(C(=O)N(CCCN)[C@H](c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1 3842421 SMFXSYMLJDHGIE-DEOSSOPVSA-N 503.672 4.706 0 40 KJAB investigational CCNc1ccc(C(=O)OCC)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 6146085 SIXSKRHITMAMTP-UHFFFAOYSA-N 503.527 4.626 0 40 KJAB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5c[nH]c6ccccc56)c(=O)n42)c2ccccc2CC3)cc1OC 8441475 QIWRZGPHQSWPRW-KEPJHFNWSA-N 519.626 4.817 0 40 KJAB COc1ccc(NC(=O)[C@@H]([C@@H]2CC=CCC2)N(Cc2ccccc2C)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 8712743 KFBGZBSKJJLIOV-WVXBCFDCSA-N 551.643 4.925 0 40 KJAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N(Cc2ccccc2F)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 8713435 OWAKQBAASPHMGU-GDLZYMKVSA-N 551.574 4.772 0 40 KJAB Cc1ccc(C(=O)[C@H]2[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 8915334 WLHYSJSSHHCULO-RWCIVJTCSA-N 520.511 4.952 0 40 KJAB C[C@@H]1c2cc3c(cc2CCN1S(=O)(=O)c1cc(Br)ccc1Br)OCCCO3 9430377 RZCJEVCURLDCFX-GFCCVEGCSA-N 517.239 4.681 0 40 KJAB C[C@H](OC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(F)cc2)cc1)C(=O)c1ccccc1 9445887 VGWKPSVKULAJLJ-IBGZPJMESA-N 519.525 4.789 0 40 KJAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)sc2c1CCC2 10382293 WHIRTBQWNCSXOH-UHFFFAOYSA-N 511.065 4.884 0 40 KJAB CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(OCC)cc2)cc1 12713971 JDOYKTDEEGOWNS-MUUNZHRXSA-N 529.641 4.918 0 40 KJAB CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2ccccc2C)cc1 13029503 BWMGHYVRMHKOCS-LJAQVGFWSA-N 524.625 4.531 0 40 KJAB C[C@@H](CCc1ccccc1)Nc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 13595522 QIOYXAAVEVWOCD-KRWDZBQOSA-N 504.660 4.756 0 40 KJAB O=C(NC(NCc1ccccc1)(C(F)(F)F)C(F)(F)F)c1ccccc1I 15304625 XJCQPVLVNDQQSR-UHFFFAOYSA-N 502.196 4.632 0 40 KJAB CCN(CC)CCCN(C(=O)c1ccc(CN2CCOCC2)o1)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 28456832 NPCAUFSEDUJPFX-LJAQVGFWSA-N 556.723 4.615 0 40 KJAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F 32116476 OAZLQIFLHSWGHW-HAHDFKILSA-N 506.555 4.561 0 40 KJAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCCN1C(=O)S/C(=C/c2cccs2)C1=O 33407597 POZPAYDAWPPVIN-XDHOZWIPSA-N 501.033 4.729 0 40 KJAB CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccccc4F)n(-c4ccccc4C)c(=O)c23)C1 35432087 RZUOHRYEFABOOJ-UHFFFAOYSA-N 522.627 4.530 0 40 KJAB CCN(CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccc2ccccc2c1 39986901 ZAMBJQUJNNGNOE-UHFFFAOYSA-N 527.690 4.784 0 40 KJAB CCOc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1OCC 44884969 HLJOAVWUJPDGSH-GOSISDBHSA-N 509.068 4.557 0 40 KJAB COc1ccc([C@H](C)NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1OC 59834661 QUJOUDHDPNBEIH-SFHVURJKSA-N 547.471 4.535 0 40 KJAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)Oc2ccc(Cl)cc21 60060317 XSAYOBTVEPNMBF-OAQYLSRUSA-N 590.894 4.613 0 40 KJAB Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](C(=O)O)C(C)C)C(=O)N32)cc1 70707283 ZXIQOJZQGBMQPJ-NSVAZKTRSA-N 550.615 4.798 0 40 KJAB biogenic CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC2CCC(C(=O)NC[C@@H]3CCCO3)CC2)cc1 98009649 QFRGBEVKEYOEEG-OWWUNANSSA-N 578.735 4.628 0 40 KJAB COc1ccc(CCN2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(F)c(F)c2)cc1OC 98043212 NBFZYZSPAIMSSG-JOCHJYFZSA-N 527.499 4.530 0 40 KJAB Cc1ccccc1-n1c(/C=C2/C(=O)N(C)c3ccccc32)nc2ccc(I)cc2c1=O 100022647 MKFSHPPARHUNPS-NBVRZTHBSA-N 519.342 4.816 0 40 KJAB CCCOc1ccc(N2C(=O)[C@H]3ON(C)[C@@H](c4ccc(OCc5ccccc5)c(OCC)c4)[C@H]3C2=O)cc1 101192477 OECCDGFCMGGDOV-PKTNWEFCSA-N 516.594 4.929 0 40 KJAB CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OCC(=O)Nc1ccc(Br)cc1Br 103059920 WFGDQDKOXUUGGT-GOSISDBHSA-N 558.292 4.553 0 40 KJAB C[C@@H]1[C@@H](NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2-c2ccc(OC(F)(F)F)cc2)CCC[C@H]1C 150686163 HHASCYNCVMYBGS-RNHFSVANSA-N 653.749 4.887 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 222572402 HCZMEOGXYKXNKU-YIXXDRMTSA-N 553.700 4.786 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 222612462 UNUMTJZBTJYZHX-VWLOTQADSA-N 606.970 4.563 0 40 KJAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCCCNc2ccnc3cc(Cl)ccc23)cc1 222672103 BFARLRGBCTUYKN-UHFFFAOYSA-N 553.084 4.706 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223069130 ZQLGSZIYHJFRDU-QFIPXVFZSA-N 569.699 4.670 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 223187242 QIQBZSTXNQYZAC-QFIPXVFZSA-N 536.138 4.837 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1cc(OC)cc(OC)c1 223352710 MDAUHBIWRJYJLW-RNWIMVQKSA-N 518.654 4.946 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 223562782 HCCSBCWDXIFDDK-RUZDIDTESA-N 651.421 4.754 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O 223826876 FISPDJKWNGAVCR-OAQYLSRUSA-N 546.492 4.622 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 223965841 VNFWUVXRALQDAW-SSEXGKCCSA-N 595.762 4.931 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 223987113 NLOLSMHITRACIK-IBGZPJMESA-N 578.518 4.751 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 224187836 SPDLIUGJFKDLBE-RUZDIDTESA-N 572.127 4.796 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)c2ccc(C)cc2)cc1 224294909 HBSXZCZXSYDYDU-QHCPKHFHSA-N 569.699 4.528 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 224450226 LMYYHLIFWUPLJN-QHCPKHFHSA-N 542.529 4.826 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 224470650 DPMMOLIGIDEMBZ-QHCPKHFHSA-N 542.529 4.792 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)COc1ccc(I)cc1 224672774 PZJDQXIYWRMBNV-GOSISDBHSA-N 520.411 4.536 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 225030264 WSBAIEDPIVHPQR-DQEYMECFSA-N 625.788 4.938 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 225086923 BTARRGDZFULRSQ-AREMUKBSSA-N 542.101 4.869 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 225097996 GZFXQQOIFUKNSH-LOSJGSFVSA-N 535.710 4.831 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225151635 YXZQZHLLYLGSJX-FGZHOGPDSA-N 602.153 4.885 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 225207619 HEOZSDFOKZOTNE-HHHXNRCGSA-N 572.127 4.878 0 40 KJAB COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)c(Cl)c2)c1C 225240842 LOGDHKCPPJQYEP-DQEYMECFSA-N 528.078 4.562 0 40 KJAB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 225366692 FPFKONPHZFBUTL-NDEPHWFRSA-N 608.160 4.964 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 225397952 DWFLUIWJZPISJU-PMERELPUSA-N 579.738 4.989 0 40 KJAB CCSc1nnc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)s1 225437713 SETXHHMDOKWLPI-UHFFFAOYSA-N 503.458 4.791 0 40 KJAB 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CCOc1cc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@@](=O)C3)cc(OCC)c1OCC 9414008 XRPOWSPRCIIGKO-UUWRZZSWSA-N 504.008 4.736 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C)c(Cl)c1 10299820 HRBVSQURLPALLP-UHFFFAOYSA-N 517.003 4.571 0 40 KJAB COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)c(OC)c1 13028767 DDAFWCUPHIFBTI-GDLZYMKVSA-N 527.625 4.672 0 40 KJAB Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1 13163826 IWFVLUCENNBZFW-LJQANCHMSA-N 508.644 4.720 0 40 KJAB COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)COc2ccc(Cl)cc2C)c1 16283115 AZUJSVVRZBVEMM-UHFFFAOYSA-N 508.018 4.775 0 40 KJAB O=C(O)CC12C[C@@H]3C[C@H](C1)CC(n1ncc(N4CCN(c5cccc(Cl)c5)CC4)c(Cl)c1=O)(C3)C2 16398928 JJNYENONIQEYPU-LJQDGHHOSA-N 517.457 4.647 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)N3CCN(c4cc(C)ccc4C)CC3)cc2c1 19941431 RASHNJKXTGRCSG-HHHXNRCGSA-N 513.690 4.751 0 40 KJAB COC(=O)c1cc2cc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4c(C)cc(C)cc4C)C3)ccc2s1 20017096 MACQOZIUWNOKDG-SFHVURJKSA-N 500.642 4.653 0 40 KJAB C[C@H](CCc1ccccc1)Nc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 20083657 QIOYXAAVEVWOCD-QGZVFWFLSA-N 504.660 4.756 0 40 KJAB CN(C)S(=O)(=O)N(CC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc(F)cc1 20112764 ZRFMDIRPELBMAK-UHFFFAOYSA-N 511.619 4.606 0 40 KJAB COc1cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC 22253755 MUBGXJLZNNRMHX-KRWDZBQOSA-N 503.020 4.814 0 40 KJAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)c1 32125419 DVBQTIXFWNOJNZ-UHFFFAOYSA-N 502.640 4.563 0 40 KJAB Cc1cc2cc([C@H](c3nnnn3C3CCCC3)N(Cc3ccco3)C[C@@H]3CCCO3)c(=O)[nH]c2cc1C 57608777 JWQQNAOODOYLOL-JYFHCDHNSA-N 502.619 4.610 0 40 KJAB O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)cc1 59499377 SXEHQLJACQNSFT-UHFFFAOYSA-N 510.615 4.983 0 40 KJAB O=C(CCCCCn1c(=S)[nH]c2ccc(Br)cc2c1=O)N1CCN(c2ccc(F)cc2)CC1 59525145 AFOGERKVCMQSIS-UHFFFAOYSA-N 533.467 4.870 0 40 KJAB O=C(c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 60277216 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CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 222786753 BADMUCJINRUJQQ-HXUWFJFHSA-N 576.090 4.848 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222796555 YTRKZYUTWHCKPC-QHCPKHFHSA-N 600.565 4.643 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl 222847346 YDXHBSMIIZNIHB-SFHVURJKSA-N 572.555 4.880 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 222863010 UVGQPUNSIFEBSF-NDEPHWFRSA-N 611.761 4.548 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 222987590 JYAQARPBVGAIJU-AREMUKBSSA-N 616.578 4.823 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 222988949 ULQGWTVVMMLPGQ-OAQYLSRUSA-N 572.525 4.506 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223001698 VJUOZNGQSWQEMU-XMMPIXPASA-N 551.709 4.533 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 223008788 RZEBBDSTYKVFMS-VWLOTQADSA-N 595.762 4.850 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 223024752 XSKHCVNKWYZILO-AREMUKBSSA-N 542.101 4.706 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 223065602 LWQSOMLIRPXQFU-RUZDIDTESA-N 572.525 4.506 0 40 KJAB COc1ccc(N(CCCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)S(C)(=O)=O)cc1 223094615 UEWNMBSLHIDJMJ-UHFFFAOYSA-N 501.004 4.765 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(I)cc1 223248058 JLGAXGCKJBUCQO-CVEARBPZSA-N 573.269 4.765 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 223492320 ZOEMUGGGKRYJMA-RUZDIDTESA-N 565.736 4.841 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223625280 UREHNTCDZQMWPP-DEOSSOPVSA-N 566.164 4.925 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cc3ccncc3)cc2)c2ccc(C)cc2)cc1OC 223717833 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CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 224744555 LUBIQMUNFPVYFM-VWLOTQADSA-N 535.710 4.751 0 40 KJAB Cc1ccc(CN(C(=O)CCCN(c2ccccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)cc1 224754704 WNXHQUKYMOGEOQ-DEOSSOPVSA-N 527.731 4.716 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1)c1cccc(Cl)c1 224776894 AXFKQXWZDPUKDJ-UHFFFAOYSA-N 512.075 4.832 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 224843255 NVXCRMANTIIHQO-HXUWFJFHSA-N 552.112 4.892 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 224958387 DDHORZQHBWETQE-INIZCTEOSA-N 548.920 4.665 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 225016101 OMNUXRJXTWXEFY-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 225027354 SFKOABNIFOWZCP-JOCHJYFZSA-N 572.127 4.796 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 225139248 PRWXMNKKQJZQJS-FGZHOGPDSA-N 572.127 4.876 0 40 KJAB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NCc1cccc(C(F)(F)F)c1 225264378 NOPZAQGGDDVBIB-UHFFFAOYSA-N 574.362 4.822 0 40 KJAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 225430844 KJJYFSNFWRRIFT-GDLZYMKVSA-N 565.736 4.575 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 225527213 PNTPFMFUVKTUPW-WJOKGBTCSA-N 599.753 4.893 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225537067 GMAKZGPDINCASQ-SSEXGKCCSA-N 615.752 4.594 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 225595451 AKYGNUDVYAHPHP-NBGIEHNGSA-N 536.138 4.952 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(Br)cc2)cc1 225657409 SXFBQPGALDECLK-QFIPXVFZSA-N 646.604 4.994 0 40 KJAB Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCNc2ccnc3cc(Cl)ccc23)c1 225939724 OFMFCMJOMWHFFQ-UHFFFAOYSA-N 551.112 4.967 0 40 KJAB C[C@H]1CCCCN1c1cc(N2CCCC2)nc(NC(=S)NCC2(c3ccc(F)cc3)CCOCC2)n1 226000258 UVSHCMPZZHJGSY-FQEVSTJZSA-N 512.699 4.630 0 40 KJAB COc1ccc(N(C)C(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1 226058508 NBAVTKXEZDECJZ-UHFFFAOYSA-N 503.020 4.832 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 260761506 DJXALQLLIUBNMY-LJQANCHMSA-N 554.540 4.934 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC)S(=O)(=O)c2ccc(F)cc2)cc1 260769023 VLXZUZHGVOKGFD-WJOKGBTCSA-N 621.706 4.945 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](CC)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1 260870828 FJCAVYMWLWFBFX-GDLZYMKVSA-N 583.726 4.999 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 260890118 CVFABAACYORNOT-OAQYLSRUSA-N 662.205 4.902 0 40 KJAB Cc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 261010131 GRSOJYOZTBOTRQ-HHHXNRCGSA-N 570.155 4.969 0 40 KJAB O=C([C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408589915 GLBBKYQLKXQIRN-INIZCTEOSA-N 550.430 4.762 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)ccc1OCC(=O)OC(C)C 408600531 CPTAYCHFUMPVIT-OYKKKHCWSA-N 534.590 4.854 0 40 KJAB CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)S(C)(=O)=O)cc1 408602938 DGNQWONWXQAFAT-QGZVFWFLSA-N 501.004 4.763 0 40 KJAB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408604616 HJEMLJJACBPUKS-UHFFFAOYSA-N 629.442 4.854 0 40 KJAB COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)c1 408639064 FAHGRAUEHHJGIW-NIKGAXFTSA-N 503.382 4.663 0 40 KJAB Cc1c(Br)ccc(NC(=O)COC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)c1C 408646481 PJZXUHUXCYQHOO-UHFFFAOYSA-N 523.232 4.718 0 40 KJAB COc1ccc(-n2nc(C(=O)OCC(=O)c3ccc(Br)cc3)nc2-c2ccc(F)cc2)cc1 408699892 ZZDBZXPLXDEMDX-UHFFFAOYSA-N 510.319 4.884 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc(C(=O)OCC)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 408830267 NUYOOHJYPFUXLK-DDBFQISPSA-N 626.731 4.871 0 40 KJAB COc1cc(/C=C2\SC(=N)NC2=O)cc(I)c1OCc1ccccc1Cl 408894651 INBPVEJWRRDSRT-NVNXTCNLSA-N 500.745 4.671 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408924902 RRISHZVHMHNRDO-SJXDCSIJSA-N 602.684 4.924 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cn(Cc5ccccc5)c5ccccc45)c(=O)n32)cc1OCC 408949929 SYJKEBIDEFTJQI-QOKZYVIKSA-N 593.705 4.819 0 40 KJAB CCOC(=O)Cn1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c2ccccc21 408951015 SYARLHPLTZBSDB-KMCFWPMWSA-N 620.731 4.790 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408981211 ACZJCUPBFALXKC-JHUDVDCUSA-N 658.729 4.522 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC(C)C)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409040711 UGIGDTUFSZWOFQ-DVUZPASPSA-N 764.635 4.539 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3ccc(Br)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409109051 XDAVWKLYPUFUOZ-RGFRMHDHSA-N 635.584 4.674 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 409131729 JGSPKGWPHOUYLE-HNNXBMFYSA-N 502.438 4.591 0 40 KJAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OCC(=O)Nc4c(C)cc(Br)cc4C)cc3)C2)cc1 409132953 PNTZVIHPKRKQNM-OAQYLSRUSA-N 580.479 4.761 0 40 KJAB CCc1cccc2c(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cn(CC(=O)NC[C@@H]3CCCO3)c12 409134801 QECIWLCSHGOABF-XIERNQRLSA-N 521.614 4.875 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(Cl)c3)c(=O)n2[C@H]1c1cc(Br)ccc1OC 409145478 NWCJDFBBOLXEPK-JUTHHCEFSA-N 591.911 4.622 0 40 KJAB CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)cc2OC)cc1 409271081 IVVPPSFTJSHXPR-QRQIAZFYSA-N 585.682 4.896 0 40 KJAB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)C1=O 409272704 OFQDSONDBIIMNR-MYYYXRDXSA-N 561.616 4.705 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1OC(F)F 409357039 IETPFCWOBWBMMC-SXGWCWSVSA-N 513.316 4.734 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(OCc4ccc5c(c4)OCO5)c(I)c3)C2=O)o1 409399545 JTMGHHNVAAUEOW-LSCVHKIXSA-N 728.233 4.676 0 40 KJAB Cc1ccc(CN(CC(=O)O)C(=O)c2cnc(N(C)CCc3ccccc3)nc2CCc2ccccc2)cc1 585266493 DNLHAOQIKWKCGB-UHFFFAOYSA-N 522.649 4.976 0 40 KJAB Cc1cc(OC[C@@]2(CC(=O)N3CCC(O)CC3)CCCN(C(=O)c3ccc(Cl)cn3)C2)cc(C)c1Cl 585285951 FRBWDSLRHCCEKS-HHHXNRCGSA-N 534.484 4.680 0 40 KJAB CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)N2CCC(c3ccccc3)CC2)NC(=O)c2ccccc2OCCCCCCN(C)C1=O 1615152977 AOAUKMKDVCJJQH-KYJUHHDHSA-N 604.792 4.523 0 40 KJAB COc1ccc(CNC(=O)CC[C@@H](C)[C@H]2CC[C@@H]3[C@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@@H]4C[C@H](O)[C@@]32C)cc1OC 1889191573 YGAIPXBEAHZWNC-JPOPCTNNSA-N 557.772 4.698 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)cc1 906095 ZGFDVNILMDXDOS-HKBQPEDESA-N 569.662 4.778 0 40 KJAB COc1cccc([C@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)c1OC 1372627 HCBIRXAENCQLFR-SSEXGKCCSA-N 549.631 4.848 0 40 KJAB Cc1c(CC(=O)N[C@@H](CSCc2ccccc2)C(=O)O)c(=O)oc2cc3oc4c(c3cc12)CCCC4 2104720 LJCIDGIXUCJMAZ-QFIPXVFZSA-N 505.592 4.772 0 40 KJAB biogenic Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2-c2ccc(C)cc2)cc1 2231466 IWMCBQRGWDEJSH-UHFFFAOYSA-N 502.596 4.965 0 40 KJAB COC(=O)c1c(NC(=O)COC(=O)CNC(=O)c2sc3ccccc3c2Cl)sc2c1CCCCC2 3302995 BHJXLFJENYKOLR-UHFFFAOYSA-N 535.043 4.583 0 40 KJAB O=C(O[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCC3 3329137 MIHJNSBGEIAIDG-HSZRJFAPSA-N 507.468 4.898 0 40 KJAB Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1C(c1ccc(C(=O)O)cc1)c1c(C)nn(-c2nc3ccccc3[nH]2)c1O 8695089 MPFPYVBRLVZWBO-UHFFFAOYSA-N 560.574 4.717 0 40 KJAB COc1ccc(Cc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@H]4c2cccnc2)cc1 9187435 TWIYGYBWZAIVDK-RUZDIDTESA-N 501.550 4.899 0 40 KJAB COc1ccc(C(=O)N/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1 9379900 KGDJCLIXFPGXAN-QWJUGSESSA-N 522.605 4.614 0 40 KJAB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NCCCOC(=O)c4ccc(C)cc4)ccc23)cc1 9410042 HWKCNVNHCTVWNT-UHFFFAOYSA-N 501.535 4.519 0 40 KJAB biogenic CC(C)c1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)CNC(=O)c2ccco2)c2ccc3c(c2)OCCO3)cc1 12488248 YAWGGRRGZFCBLJ-MHZLTWQESA-N 533.625 4.593 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)CCCC(=O)Nc2ccccn2)cc1 13027653 ZOYSERVBOUASDL-NDEPHWFRSA-N 518.614 4.621 0 40 KJAB O=C(NCCSCc1ccccc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 13678169 ZJTPTJHMFCCQFF-IBGZPJMESA-N 501.501 4.585 0 40 KJAB COc1ccc(CN2CCN(C(=O)COc3ccc(Br)cc3)CC2)cc1OCc1ccccc1 19889232 NIERGRBUYHJMCT-UHFFFAOYSA-N 525.443 4.760 0 40 KJAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 20020916 ZSBOFZYNDILRDA-MRXNPFEDSA-N 508.518 4.771 0 40 KJAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(c2cccc(C)c2C)CC1 20079854 MIPRVTHLRDFEEX-HHHXNRCGSA-N 513.690 4.805 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Br)cc2F)cc1 22271512 DLLNFWMJIHGKIR-JOCHJYFZSA-N 521.408 4.515 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccccc2)c(Cl)c1 22428848 MRFSRIYFTURQSL-UHFFFAOYSA-N 517.003 4.749 0 40 KJAB COCCCNC(=O)/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)NC(=O)c1ccc(OC)cc1 27024109 UCTAEICKGQFVKJ-JWGURIENSA-N 502.489 4.898 0 40 KJAB CC[C@@H](c1nnnn1C[C@H]1CCCO1)N(CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 33937071 PUNDEXWHTCQALH-RSXGOPAZSA-N 500.647 4.506 0 40 KJAB Cc1ccc(C)c(Cn2nc3n(CCC(C)C)c(=O)c4ccc(C(=O)NC5CCCCC5)cc4n3c2=O)c1 45943647 NFHQBQRZLROKIB-UHFFFAOYSA-N 515.658 4.585 0 40 KJAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c(Cl)c1 59852385 FRTAASISXLTIFH-UHFFFAOYSA-N 547.964 4.783 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccccc3)cc2)cc1 59858497 WPEHOQWSJIPWQW-UHFFFAOYSA-N 565.673 4.638 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2cccc(Cl)c2C)cc1 60018606 QTSRSTQGWLHTKX-UHFFFAOYSA-N 585.107 4.987 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 97947699 IENVHNVPWWCUQR-ZNRKBWGRSA-N 576.678 4.578 0 40 KJAB COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1c(OC)ccc2c(=O)c(-c3ccc(OC)cc3)coc12 97971933 XWTIXSZXDGGDIJ-NRFANRHFSA-N 532.545 4.952 0 40 KJAB biogenic CCN(CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccc(OC)c(OC)c1 98047175 XJQVMFYXYJSLEO-QHCPKHFHSA-N 529.431 4.850 0 40 KJAB CC(=O)c1ccc(N(C(=O)Cn2nnc(-c3ccccc3)n2)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)o2)cc1 100285479 YLZLJOANFMJHJH-MUUNZHRXSA-N 540.624 4.668 0 40 KJAB COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2cc(C)ccc2C)c1OC 100365442 DLADRKVCXABVEV-GDLZYMKVSA-N 541.652 4.899 0 40 KJAB COc1cccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2F)c1OC 100367172 KQNQBKLEUBZUPH-MHZLTWQESA-N 533.604 4.524 0 40 KJAB Cc1ccc([C@H](c2nnnn2Cc2cccs2)N2CCN([C@H](c3ccc(C)cc3)c3nnnn3Cc3cccs3)CC2)cc1 100456302 RZEUEUYMZBFEGC-LOYHVIPDSA-N 622.828 4.993 0 40 KJAB Cc1ccc(S[C@]2(CN3CCOCC3)COc3c(Br)cc(Br)cc3[C@H]2O)cc1 100954837 HSCDDZQBOFWQRM-NHCUHLMSSA-N 529.294 4.809 0 40 KJAB COc1ccc(/C=C/Nc2ccc(S(=O)(=O)N3CCOCC3)cc2N/C=C/c2ccc(OC)c(OC)c2)cc1OC 102934806 AMEFBEXODJGCEO-PHEQNACWSA-N 581.691 4.908 0 40 KJAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2C2CCCCCC2)cc1 103126829 OOZCOAMKRUMTCX-UHFFFAOYSA-N 597.763 4.795 0 40 KJAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)c1ccc(I)cc1 105314219 YZWRULMTSUVFFW-UHFFFAOYSA-N 531.354 4.599 0 40 KJAB COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2Br)C(=O)Nc2cc(C(=O)O)ccc2OC)c1 113562985 RWLXPYXOICELTM-STZFKDTASA-N 555.381 4.583 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(SC)cc2)c1 113625714 GUXWHYPCBGPVLP-UHFFFAOYSA-N 528.652 4.818 0 40 KJAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 216292407 OKFQKNPAWDJNAC-UHFFFAOYSA-N 571.080 4.754 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c(C)c1 222996686 HALZTGRXYDCFNY-SFHVURJKSA-N 542.529 4.708 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223018445 SLRSGNQAOSVDGZ-INIZCTEOSA-N 593.371 4.856 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 223190363 ZDQHGHKNPLTGAQ-NHCUHLMSSA-N 566.562 4.636 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)c(OC)c1 223245960 GAWJGHRHSMYXDY-HHHXNRCGSA-N 518.654 4.811 0 40 KJAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCCCOC(C)C)cc1 223278637 JBBITLUIXHFKFR-GDLZYMKVSA-N 502.655 4.809 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 223339928 CJGDEWZQDOOQNF-NEKDWFFYSA-N 661.606 4.920 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 223355078 HNXSUUVNZYUOHK-DEOSSOPVSA-N 606.528 4.513 0 40 KJAB COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)[C@H](C(=O)NCc2ccco2)c2ccccc2)cc1 223531291 RLDDNFMRIKBHNV-PMERELPUSA-N 528.605 4.934 0 40 KJAB 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Cc1c(NS(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)c(=O)n(-c2ccccc2)n1C 3215700 VROJETNXDHSDBT-UHFFFAOYSA-N 531.421 4.844 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccc(F)cc2)cc1 8892164 NDWONMUDMRJBAJ-QHCPKHFHSA-N 505.571 4.534 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3C)[C@H](C(=O)NC(C)(C)C)c3cccs3)n2)cc1 12478708 AECFGUVVBMNGRX-DEOSSOPVSA-N 502.644 4.708 0 40 KJAB Cc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cccc3ccccc23)cc1 12479678 BAPLXBSQJFVQRW-VWLOTQADSA-N 529.666 4.836 0 40 KJAB CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 15880237 ZCDFMAWFLYCMEQ-UHFFFAOYSA-N 524.712 4.907 0 40 KJAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)[C@@H]1C 15912930 SVNLYOMQMYIGSK-DRSNIGMVSA-N 506.521 4.821 0 40 KJAB CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(SCC(=O)c5ccccc5)ncnc4c23)CO1 19708242 ZUWMWKPQMRBNIO-UHFFFAOYSA-N 506.653 4.902 0 40 KJAB CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Cl)cc1 19855624 ZXQKDCWLHLNJPB-UHFFFAOYSA-N 517.003 4.749 0 40 KJAB COc1ccc(C)cc1N(CC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)c1ccccc1 19856384 DAPWZVVUVUZPKA-UHFFFAOYSA-N 507.381 4.739 0 40 KJAB Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3cccs3)=NN2C(=O)CN2CCOCC2)cc1 22089455 HTXBJSVXMYBDTL-SANMLTNESA-N 511.651 4.919 0 40 KJAB COc1ccc(NC(=O)c2cc(OC)c(OC)cc2N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22254067 LKMDYSYONMFEPS-UHFFFAOYSA-N 504.992 4.584 0 40 KJAB CCOC(=O)c1c(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)sc2c1CCCC2 26114045 OCCPCLQDCQAHHD-UHFFFAOYSA-N 504.655 4.943 0 40 KJAB Cc1cc(-c2cc(NC(=O)COc3cccc(C)c3C)n([C@@H]3CCS(=O)(=O)C3)n2)ccc1OC(C)C 41155992 ZIVGTCXJGDMGAX-JOCHJYFZSA-N 511.644 4.640 0 40 KJAB O=C(CCCCCn1c(=S)[nH]c2ccc(N3CCOCC3)cc2c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 59525171 RWQRGZPPNLJVET-UHFFFAOYSA-N 589.684 4.824 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1C 59884215 PKJUPNWQOFBKHL-UHFFFAOYSA-N 556.493 4.816 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)cc2)c1 59885843 DIKYLKKTRLBJKM-UHFFFAOYSA-N 616.117 4.992 0 40 KJAB COCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc(Cl)c3)N2C1=O 70700647 NUIMEVTUDHLKDJ-AHWVRZQESA-N 528.996 4.680 0 40 KJAB biogenic COc1c(Br)cc(Br)cc1/C=C/C(=O)NC(=S)Nc1ccccc1N1CCOCC1 97961117 JEPOBOCUBITOPW-VOTSOKGWSA-N 555.292 4.583 0 40 KJAB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4sc(=O)n(-c5ccccc5)c4Cl)N(c4ccccc4)O[C@H]3C2=O)cc1 102727430 SLFHHAKBDIOKSZ-FDFHNCONSA-N 517.994 4.912 0 40 KJAB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)c1ccccc1 103082237 GLUOLWGLSJPCSA-SANMLTNESA-N 560.657 4.955 0 40 KJAB CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2c(-c3c(F)cccc3Cl)noc2C)ccc1C 103099059 SIGITEHPVCLKPA-UHFFFAOYSA-N 537.997 4.577 0 40 KJAB COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1 104084827 JLLBBDUHSDRULW-UHFFFAOYSA-N 558.704 4.860 0 40 KJAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@H](N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 104150521 KUHHFYZRWGDWMX-PKFHCXLDSA-N 527.707 4.671 0 40 KJAB COc1cc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2)cc1Cl 110562508 APIHMYGDVHZUOB-RYLXDESZSA-N 565.088 4.564 0 40 KJAB CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](NC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)c2ccccc2)CC1 217737064 SIWQYVTWJQPWRO-PSXMRANNSA-N 686.919 4.674 0 40 KJAB CCc1ccc(OCC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC)c(Br)c1 222527266 INYIZDGUFQMUAN-XMMPIXPASA-N 527.434 4.916 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 222616164 WEJBCMWWCODFKD-NDEPHWFRSA-N 553.700 4.970 0 40 KJAB Cc1cccc(C)c1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 222728013 MKPYIHKOMMXXPX-NDEPHWFRSA-N 567.727 4.621 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 222972683 ALABMVUCCDHMNX-JOCHJYFZSA-N 572.127 4.878 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 222999591 HJJBIYXQZBOAMG-VWLOTQADSA-N 535.710 4.832 0 40 KJAB O=C(NC[C@@H]1CCCO1)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 223015913 YXHUDWWRSXVYCP-WEZIJMHWSA-N 645.753 4.941 0 40 KJAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)cc1 223439380 JXDQMIACMNZLNM-LOSJGSFVSA-N 529.574 4.919 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223587503 OIUIGINXZODORJ-MHZLTWQESA-N 599.725 4.762 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 223738017 CTHYHLKXYMMRBX-VWLOTQADSA-N 515.720 4.608 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O 223916333 SOLNVBGRDVIMOJ-DEOSSOPVSA-N 572.555 4.882 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224035354 WJWQPXAACOFZHC-HXUWFJFHSA-N 618.127 4.778 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 224131023 MATSCMKCIQOFCL-NRFANRHFSA-N 540.513 4.626 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 224226434 SSNOQELVVMWGMI-MRXNPFEDSA-N 548.920 4.602 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 224342739 VRNTXQSARGDDMP-GDLZYMKVSA-N 567.727 4.881 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 224544876 BYOUUNXZLXQCSY-JOCHJYFZSA-N 570.539 4.634 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 224561854 YAEBZFTZAROGRV-HHHXNRCGSA-N 565.736 4.779 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 224720648 MPMXEUKIYLYHAV-QFIPXVFZSA-N 656.599 4.892 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 225070760 XRMCNIPTSOKXIF-DNQXCXABSA-N 581.735 4.540 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 225163779 OZZYNLPWBVCVSA-NHCUHLMSSA-N 522.111 4.527 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 225181992 MCFXYQHYDUOVBF-MRXNPFEDSA-N 566.017 4.598 0 40 KJAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(SCc4ccccc4)s3)CC2)cc1 225255325 RNEZNOGBKSHFSA-UHFFFAOYSA-N 520.727 4.592 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 225410769 KZLYSIMRLQVBHV-DEOSSOPVSA-N 552.137 4.537 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC)S(=O)(=O)c2ccc(Br)cc2)cc1 260571991 GEOXRCJGAGVHLT-OAQYLSRUSA-N 602.551 4.515 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1Cl 260746369 RKSPBWBUEQRELV-WJOKGBTCSA-N 634.154 4.693 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1C 260889306 QHJPHDIDWAEFLP-MUUNZHRXSA-N 614.606 4.997 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc(Cl)c1 260987426 MODJSRZPIXUCSA-MUUNZHRXSA-N 586.129 4.944 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 260995757 QUCRSDQHCNJSIW-GJZUVCINSA-N 523.699 4.636 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 261092412 UIRLJWDKMDQEIX-MUUNZHRXSA-N 549.737 4.624 0 40 KJAB NC(=O)C[C@H](C(=O)OCc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408663317 RRVINYODKLARKX-XYZPLQHNSA-N 618.300 4.874 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1 408665843 ZNWXXLRJRJZZLB-MFRYECHYSA-N 505.785 4.918 0 40 KJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 408681965 JXFKFDYWZXXLOO-KDIGXEEGSA-N 545.817 4.742 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)cc4)CC3)cc2)c(C)c1 408694456 HMXIARKIRXAINR-UHFFFAOYSA-N 576.140 4.938 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 408700357 DPYCAXZHIFRMJU-UHFFFAOYSA-N 548.086 4.876 0 40 KJAB CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)Nc1ccccc1)=C(C)N=2 408819694 RGHPXPNIHLGRLF-ASZNLBCTSA-N 620.127 4.952 0 40 KJAB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(Br)c(O)c(OC)c2)C1=O 408873780 VQAFYTOPZLUACP-APSNUPSMSA-N 561.332 4.866 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC)c(OCC)c3)c(=O)n2[C@@H]1c1cccs1 408910489 IMVJLYWKGVVWQP-UXAZKMGBSA-N 560.697 4.795 0 40 KJAB CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1Br 408984735 JPPPBIKGRHRUPD-KICLSGDVSA-N 677.573 4.649 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(C)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409048325 WETASLUHOSBTPL-SDICAMPMSA-N 708.425 4.582 0 40 KJAB CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 409055511 CIRJTHZNXKZXCJ-UHFFFAOYSA-N 511.957 4.939 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409090320 OYJLHHNXXYRPOM-PRWBYUBPSA-N 686.797 4.830 0 40 KJAB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3c(C)cc(Br)cc3C)n2C)cc1 409131735 WSYNCDSELJTEQP-INIZCTEOSA-N 516.465 4.725 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2cn(CC(=O)NC3CCCC3)c3ccccc23)C1=O)Nc1ccc(F)cc1 409148033 XUFLDKSRMISKJL-QRVIBDJDSA-N 520.586 4.514 0 40 KJAB CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n2CC)cc1 409153879 IZMBQMCTSHGZEM-KRWDZBQOSA-N 516.067 4.637 0 40 KJAB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)c(F)c4F)C3=O)cc2)cc1 409201200 OHAUSWBMJZAJJO-MTJSOVHGSA-N 583.544 4.883 0 40 KJAB Cc1cc(I)ccc1NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 409333729 ISEUOPLBNPPCOK-IBGZPJMESA-N 510.372 4.648 0 40 KJAB Cc1cccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)c1 409380147 JFSPKRZFGXOUKQ-NHCUHLMSSA-N 516.333 4.776 0 40 KJAB O=C(CC1(COc2ccccc2)CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1)N1CCOCC1 2037905516 UUIWTWUIHQTKLV-UHFFFAOYSA-N 508.634 4.574 0 40 KJAB COc1ccc(CCNC(=O)/C(=C/c2cn(C)c3ccccc23)NC(=O)c2ccccc2Cl)cc1OC 2318254 HGJPCRPQTZYLQP-ULJHMMPZSA-N 518.013 4.979 0 40 KJAB COC(=O)c1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 2402256 JDXHFOUQDHGTTQ-GOSISDBHSA-N 511.353 4.857 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(F)cc2)SCC3)sc2c1CCCC2 2719951 SKRCONRYQWUPLC-UHFFFAOYSA-N 545.683 4.868 0 40 KJAB CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)sc2c1CCN(C(C)C)C2 3007173 RLEMIHTZARPBDF-UHFFFAOYSA-N 533.716 4.508 0 40 KJAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1)Nc1ccc2[nH]c(=O)[nH]c2c1 3452188 RQUBOGYNTWBPHD-UHFFFAOYSA-N 512.378 4.593 0 40 KJAB Cc1cc2cc(CN(CCc3ccccc3C)S(=O)(=O)c3cccc4nsnc34)c(=O)[nH]c2cc1C 6444155 PLIDNFCSXJZIFQ-UHFFFAOYSA-N 518.664 4.892 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)[C@H]2COc3ccccc3O2)c2ccc3c(c2)OCO3)cc1 7058959 BZXCDGTVHBLULX-WDYNHAJCSA-N 544.604 4.787 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(C(C)C)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OCC 9246942 SILJHRNVKPDUSF-QPJBPQEWSA-N 529.662 4.733 0 40 KJAB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@]32C(=O)Nc3ccc(Br)cc32)cc1 12130160 CPHDFGCXAABXCD-OFVILXPXSA-N 506.356 4.815 0 40 KJAB CC[C@@H](C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712542 BURLLKAATSZEIP-SANMLTNESA-N 526.102 4.818 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2Cc2ccccc2F)cc1 15307392 HXRUNLXSIBMFSB-DEOSSOPVSA-N 519.598 4.842 0 40 KJAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 22431000 CFFZKYIPHPNGMD-SFHVURJKSA-N 517.445 4.839 0 40 KJAB Cc1cc(OCC(=O)NC(=S)Nc2cc(Br)c(O)c(Br)c2)ccc1Cl 32116647 WQICRNZXTNGHAX-UHFFFAOYSA-N 508.619 4.771 0 40 KJAB COc1ccc(CN(C)C(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1OC 44947979 DXNDAEQMSQINAA-UHFFFAOYSA-N 503.020 4.596 0 40 KJAB CC(C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)NCCc1ccc(Cl)cc1 70704413 NOTZIYOREYLAMU-HPUNYJORSA-N 555.078 4.791 0 40 KJAB biogenic Cc1cc(C)cc(Oc2coc3cc(OC[C@H](O)CN4CCN(c5ccc(F)cc5)CC4)ccc3c2=O)c1 84085977 IMBXNGYXANOVER-XMMPIXPASA-N 518.585 4.903 0 40 KJAB CCOC(=O)c1sc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCCC3)c(C(=O)OCC)c1C 100413816 JTNTZOFUNVGDMX-UHFFFAOYSA-N 531.578 4.828 0 40 KJAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N(CC)CC)c1 103098223 UQGBTUGGLNDVKJ-UHFFFAOYSA-N 562.641 4.557 0 40 KJAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@H](NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 104069949 DRALDEYSNGRUOW-KWLVTAJXSA-N 586.800 4.546 0 40 KJAB COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1nc2ccc(NC(C)=O)cc2s1 105313082 QQEPXYXGKPOYMB-UHFFFAOYSA-N 558.277 4.915 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Br)c1OCc1ccccc1Cl 106710302 MSQYQRIUVDZRRP-NDENLUEZSA-N 581.872 4.585 0 40 KJAB O=C1/C(=C\Nc2ccccc2-c2nnc(S)nc2O)c2ccccc2C(=O)N1c1cc(Cl)ccc1N1CCOCC1 107588896 HBXVPWAPXAKXSC-PGMHBOJBSA-N 587.061 4.663 0 40 KJAB CCCCNC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 112253192 NSBVWFPGPNWNGR-UHFFFAOYSA-N 590.098 4.730 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 222453142 XWAFQRMUSSPVIT-XMMPIXPASA-N 536.138 4.835 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 222550061 RGSQLXUWNMYMOC-YIXXDRMTSA-N 545.746 4.580 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3C[C@H](C(=O)NCCc4ccccc4)Oc4ccccc43)c(C)c2)cc1 222763754 GZTLRIRSUNDJRB-WJOKGBTCSA-N 599.709 4.636 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3cccc4ccccc34)Oc3ccc(Cl)cc32)cc1 222875616 RDXUBNRIGOCEDQ-SANMLTNESA-N 523.010 4.775 0 40 KJAB COc1cccc(CN(C(=O)CCCN2C(=O)c3cccc4cccc2c34)[C@H](C)C(=O)NC(C)(C)C)c1 223052795 XOJZCMPZILTHQM-HXUWFJFHSA-N 501.627 4.921 0 40 KJAB O=C(Nc1nnc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)s1)c1ccccc1Cl 223064001 ZGVRGPBXAHBPFT-UHFFFAOYSA-N 500.989 4.824 0 40 KJAB Fc1cc(Br)ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)o1 223160080 PFHAZIDOGGDKHO-PKTZIBPZSA-N 531.451 4.548 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)N[C@@H](C)CC)S(C)(=O)=O 223192905 RWWDZHZSFCBVBN-SFTDATJTSA-N 596.588 4.726 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 223206572 MSLBIXQWPLKJAY-VWLOTQADSA-N 590.515 4.645 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1Cl 223777864 MLHJDHRLVBUJPQ-NRFANRHFSA-N 564.148 4.679 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223852083 OSRSCJIDHDOYIR-FQEVSTJZSA-N 548.149 4.880 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223913970 PDECJXCTXRJQMA-QFIPXVFZSA-N 542.529 4.792 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 224208368 BOYSQIPTRTZONT-LJAQVGFWSA-N 563.764 4.878 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 224563430 RKGUBOYHRZBSCL-NDEPHWFRSA-N 565.736 4.705 0 40 KJAB COc1cccc(CN(C(=O)COc2ccccc2OC)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224616339 CIUNUADVLNOSNH-VWLOTQADSA-N 504.627 4.637 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1C)S(C)(=O)=O 224785808 NPXFYNGWLHDDGF-JOCHJYFZSA-N 542.529 4.647 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](CC)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1 224882371 HXGDZCYNBBDMEG-PMERELPUSA-N 595.762 4.869 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 225103082 KIYAGNSBTGOFFO-HHHXNRCGSA-N 605.588 4.771 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 225137431 CQZYRRCDIBTRNN-MHZLTWQESA-N 581.735 4.541 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 225375019 VPPTWUGJCDJIAB-SSEXGKCCSA-N 595.762 4.931 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 225392811 GZLKAOKXDOGZLN-SANMLTNESA-N 572.127 4.878 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 225439779 HMITVVRQVIQROR-IAGOWNOFSA-N 562.947 4.787 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 225454742 QVGLZCVIRHCFDA-LJQANCHMSA-N 667.420 4.887 0 40 KJAB COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1 225461393 CKQYFUQQZJRISE-FTJBHMTQSA-N 533.679 4.738 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 225696270 FBHUKBUYFHQPDZ-OAQYLSRUSA-N 604.542 4.973 0 40 KJAB C[C@@H]1C[C@@H](C)CN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCc3ccccc3)n2)C1 225928415 VSCMTZMTMONYMI-DHIUTWEWSA-N 515.731 4.772 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3cc(Br)ccc32)Cc2ccccc2F)cc1 226022114 VZENMFOTRYPZOD-UHFFFAOYSA-N 517.420 4.677 0 40 KJAB COc1ccc(N(CC(=O)N2c3ccc(Br)cc3C[C@@H]2C)S(=O)(=O)c2cc(C)ccc2OC)cc1 226056716 DQHMFQKXKKFXCZ-SFHVURJKSA-N 559.482 4.948 0 40 KJAB CCOC(=O)Cc1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1 226058393 WMUJQRGPJPVBMT-UHFFFAOYSA-N 545.057 4.905 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC)c2ccccc2)cc1 260752624 HDKATPVFNOULBT-WJOKGBTCSA-N 603.716 4.806 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 260775478 HMOZLIGPZRJYOE-RUZDIDTESA-N 577.747 4.983 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1 260818023 XAALGGJJUHFDFP-RUZDIDTESA-N 547.721 4.975 0 40 KJAB Cc1cccc(CN(CC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)S(=O)(=O)c2ccc(Cl)cc2)c1 260822794 ASMIEYLQGFLCTL-WJOKGBTCSA-N 618.155 4.992 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)c1 260823509 YSNCTKLRBYETIM-JOCHJYFZSA-N 599.725 4.679 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 260988189 PLHWPJOELRMNGB-KCWPFWIISA-N 581.735 4.621 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 261021063 VYZIMLDZXMDHRZ-DQEYMECFSA-N 565.736 4.839 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 261021259 WDDZLNAPYAFWCX-NLFFAJNJSA-N 585.689 4.982 0 40 KJAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1OC 408629589 DXWJTQJYMXKJCN-UHFFFAOYSA-N 573.671 4.754 0 40 KJAB Cc1c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)ccc(Br)c1Cl 408687342 UOGVOFYRSPFXFH-MFRYECHYSA-N 545.817 4.742 0 40 KJAB CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 408711368 OFHDQZQKJXAADA-UHFFFAOYSA-N 550.102 4.843 0 40 KJAB O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1NC(=O)C[C@H]1Sc2ccccc2NC1=O 408964598 WJDLHTOCNNCJOC-HXUWFJFHSA-N 514.401 4.508 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(Cl)c(O[C@@H](C)CC)c(OC)c3)c2=O)=N1 409036965 MNPKUVXRCLGSNM-RTMFLMTJSA-N 541.069 4.638 0 40 KJAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3c(OC(C)C)ccc4ccccc34)c2=O)=N1 409039551 RLOKFWYONPJXAA-ABBNRAPFSA-N 512.631 4.739 0 40 KJAB CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)c2ccccc12 409094148 CYVOAIIHSLPWLQ-PYCBVSLESA-N 585.726 4.673 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Sc4nc(C)cc(O)n4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 409118917 QMJFFTPTROZRDN-GXPYYPFNSA-N 687.594 4.516 0 40 KJAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)Nc4ccc(Br)cc4Cl)cc3)C2)cc1 409128261 IUASAIAZZMOOML-SFHVURJKSA-N 586.870 4.798 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1[C@@H](C)NC(=O)c1ccccc1 409129268 FZVXLIOHRLTFDU-OAHLLOKOSA-N 502.438 4.591 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@H]1c1cc(Br)ccc1OC 409161146 WXOMVGKRIMPOOS-GCIOZUTDSA-N 741.664 4.520 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)OC(C)C)c4)o3)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1 409164966 QGCMUQPIQNBYLS-NULZLWRNSA-N 600.693 4.941 0 40 KJAB Cc1sc(NC(=O)CSc2nnc(CNC(=O)COc3ccc(C(C)C)cc3)n2C)nc1-c1ccccc1 409167001 GWKFYWYIGIPDRP-UHFFFAOYSA-N 550.710 4.796 0 40 KJAB CCCCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 409207353 VPAQTGMQNRQWDW-UHFFFAOYSA-N 508.265 4.863 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409253353 AZBWHHZMAAPXPP-UHFFFAOYSA-N 570.520 4.858 0 40 KJAB COc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)ccc1OCC(=O)Nc1cccc(Cl)c1 409254861 JGCZLGAEMRLOCY-UHFFFAOYSA-N 510.059 4.859 0 40 KJAB CC(=O)N1CCCCCCCN(C(=O)c2cn3cc(Cl)ccc3n2)Cc2ccc(CN3CCOCC3)cc21 643556107 IYBSQDFCLMCRSO-UHFFFAOYSA-N 538.092 4.779 0 40 KJAB CN(C[C@@H](COc1ccccc1)OC(=O)c1cccc2ccccc12)C1=NS(=O)(=O)c2ccccc21 707471 CMQVNLDZJDGWTE-QFIPXVFZSA-N 500.576 4.525 0 40 KJAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1cccc(OS(=O)(=O)c2ccccc2)c1 2078135 PMXFRCJRHAZIRP-XQOSCOKLSA-N 507.567 4.851 0 40 KJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 2220432 XUPFICUFELQUSG-UHFFFAOYSA-N 501.449 4.729 0 40 KJAB O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)NCc1ccc2c(c1)OCO2 2968637 IMCKTFZWMAEKTE-NRFANRHFSA-N 533.009 4.667 0 40 KJAB COC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@@H](CSCNC(C)=O)NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)[C@H](C)OC(C)(C)C 4017008 LJOBHNRVNVIBPX-ZEWQTRQVSA-N 744.952 4.672 0 40 KJAB C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(NC(=O)C3CCCCC3)nc1[C@H]2CC(=O)NCc1ccc2c(c1)OCO2 4222309 LGZJABBHDUMWEQ-SSONEUTBSA-N 583.751 4.513 0 40 KJAB biogenic,in-vitro COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)CN2N=N[C@@H]4C(=O)N(c5cccc(F)c5)C(=O)[C@@H]42)[C@@H]3c2ccc(OC)cc2)cc1 8454988 RGNHPDLKVCRLRF-UGPJASHDSA-N 622.657 4.959 0 40 KJAB COc1cccc(-c2nc(COC(=O)[C@H]3CS[C@@]4(c5ccc(F)cc5)CCC(=O)N34)cs2)c1OC 13129181 MCGKAVRSLJBHGB-KBMIEXCESA-N 514.600 4.600 0 40 KJAB O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2cccc(Cl)c2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccccc12 16010118 PDGHWJAKXKHZBB-YQJHKJFNSA-N 504.995 4.888 0 40 KJAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 19818512 GSAHTXMQWLDDCM-CLJLJLNGSA-N 523.630 4.622 0 40 KJAB Cc1cccc(N2CCN([C@H](c3cc4c(C)ccc(C)c4[nH]c3=O)c3nnnn3C3CCCC3)CC2)c1C 20079541 YBMSSSDOWQHVNB-MUUNZHRXSA-N 511.674 4.775 0 40 KJAB O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccccc1 22830280 ITRLIPXIWJAHQO-UHFFFAOYSA-N 506.500 4.836 0 40 KJAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 57058772 RCPZVOQRYJDRTI-HNNXBMFYSA-N 506.500 4.652 0 40 KJAB Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 59652626 RCVICFBUROHSEH-UHFFFAOYSA-N 577.109 4.740 0 40 KJAB CCOC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC)c(CN3CCN(c4ccccc4OC)CC3)c2)N1 59677271 BUPGXESRUZFQJH-JTSJOTPCSA-N 554.691 4.674 0 40 KJAB biogenic,in-vitro Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(C)c1 59929332 OGLAWKFETKXFGL-AREMUKBSSA-N 540.129 4.812 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 60017980 QGAGCQNZBJDNIJ-UHFFFAOYSA-N 536.075 4.732 0 40 KJAB CC(C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)NCc1c(F)cccc1Cl 70701640 NJLPNPCTXLCDHE-UNCTUWKVSA-N 559.041 4.888 0 40 KJAB biogenic CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cc(Br)ccc3OC)[C@@H]2C1=O 97954875 JTIRNWDGRKBKGI-VXNXHJTFSA-N 523.383 4.908 0 40 KJAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2N=C3/C(=C\c4ccc(F)cc4)CCC[C@H]3[C@H]2c2ccc(F)cc2)cc1 97979507 MWFIVHDNZFVKTP-MHOCVQQJSA-N 593.652 4.918 0 40 KJAB COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)CNC(=O)c2cccs2)c2cccc(C)c2C)cc1OC 100414572 QKOJFLMDXDMSPL-SANMLTNESA-N 537.682 4.801 0 40 KJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cccc(I)c2)cc1 100448924 UCDIWPHBIUYVNL-UHFFFAOYSA-N 506.365 4.961 0 40 KJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 101105354 HDSJDKPRQJNMIT-NDBXHCKUSA-N 547.489 4.588 0 40 KJAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccc(F)cc1 102743220 HIWDNABESQCEPP-PFBJBMPXSA-N 544.560 4.645 0 40 KJAB CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1c(C)cc(Br)cc1C 107614591 XKFBRSORVPVRNI-CSKARUKUSA-N 588.528 4.755 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 222465543 YLFCFEQGUVYRGS-HHHXNRCGSA-N 565.736 4.839 0 40 KJAB COc1cccc(CN(C(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 222548530 SRYJLKMLQHTQRM-PMERELPUSA-N 617.768 4.709 0 40 KJAB Cc1c(Cl)cccc1N(CCCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)S(C)(=O)=O 222555429 RPFAIQYUDDFYQP-UHFFFAOYSA-N 518.001 4.562 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c(C)c1 222631267 GJWOXYYERFXUPG-DEOSSOPVSA-N 535.710 4.831 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 222710800 PTYNNXZZXAGZGN-DEOSSOPVSA-N 627.388 4.908 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1 222717733 AYBXBJVKEMRKBG-QHCPKHFHSA-N 551.709 4.531 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 222903953 MHECWOFPYSLGMY-NDEPHWFRSA-N 549.737 4.873 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 223035831 SEKWNCXAUBHNGU-FCHUYYIVSA-N 602.153 4.885 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 223039721 IGCDQYQTUOFVJQ-IBGZPJMESA-N 637.394 4.960 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 223118032 IGMGBKVJJIVMRC-VWLOTQADSA-N 565.736 4.923 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 223170957 SUKVYIPQMQINGE-VWLOTQADSA-N 546.064 4.536 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 223371006 SQMOBTOIZMKKQU-LJQANCHMSA-N 572.555 4.882 0 40 KJAB C[C@@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 223631615 CLTWEXMQZGDABO-HNNXBMFYSA-N 514.953 4.862 0 40 KJAB COc1cccc(N(CCCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 223703700 DIRXVLRLTCZMGL-UHFFFAOYSA-N 505.489 4.598 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 223789050 QEZOFWMJVQJHEA-QHCPKHFHSA-N 552.137 4.619 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 224392734 MOQABYQNPGNGGQ-AREMUKBSSA-N 545.721 4.755 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 224661328 QCXNSBQLLXESLT-NRFANRHFSA-N 560.091 4.925 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 224742094 HKHKPIQNHOLPGT-MHZLTWQESA-N 539.673 4.601 0 40 KJAB O=C(Nc1nnc(S(=O)(=O)Nc2ccc(Br)cc2F)s1)c1ccc(Cl)cc1Cl 224862324 GAPWELMTRNBNLD-UHFFFAOYSA-N 526.196 4.800 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O 224913658 YLEINAAYYATDBU-KRWDZBQOSA-N 558.503 4.765 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 224978294 DGEQRHZHMOAXMW-DNQXCXABSA-N 521.683 4.522 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 224995540 SJVGEKQDCBKYLP-XLGTVVLTSA-N 595.806 4.873 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 225074658 DUWLGRREIDIDGY-NDEPHWFRSA-N 535.710 4.832 0 40 KJAB Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3ccc(N4CCCC4=O)c(C)c3)cc2)S(C)(=O)=O)c1 225134329 AOXQHPBQTYLTAS-UHFFFAOYSA-N 505.640 4.957 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 225290970 MROXCTQDHZEQIJ-HXUWFJFHSA-N 548.920 4.746 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 225324490 QVQLYWZAYLIBLM-JKSUJKDBSA-N 578.946 4.753 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 225356122 VDTKKZQTKJFSJH-BJKOFHAPSA-N 581.735 4.540 0 40 KJAB COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccccc1 225540057 QMODKIZHTZIZSA-KAYWLYCHSA-N 525.634 4.660 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 225621295 ISWDKMXFDRVHDL-GDLZYMKVSA-N 576.118 4.921 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(I)cc1 225725663 UCIIKVRJZSISOS-INIZCTEOSA-N 573.269 4.622 0 40 KJAB CCOc1ccccc1N(CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(Cl)cc1 225820308 FNJGIUJSIFCLTE-SFHVURJKSA-N 533.046 4.829 0 40 KJAB C[C@H]1CCCCN1c1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NCc2ccccc2)n1 225928252 VVQHYOHMGHMEGN-QFIPXVFZSA-N 501.704 4.669 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(Cc2noc(C(C)C)n2)cc1)Cc1ccccc1 226079321 ZXUGARMZLPDQPO-UHFFFAOYSA-N 548.665 4.930 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 260764730 UYUMIUOZUPGIMY-RUZDIDTESA-N 565.736 4.758 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 260863312 BSIDYGKJSQVPPR-HSZRJFAPSA-N 539.673 4.519 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 260952242 JZJZITVSXSQYDF-OUTSHDOLSA-N 565.736 4.921 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 260998284 PAAVPXRHCHQNJO-SSEXGKCCSA-N 591.774 4.859 0 40 KJAB 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1cccc2ccccc12 408917997 DWXGPKKVORJFSY-QARYAGPDSA-N 593.499 4.731 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(OC)cc4)cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 408945988 OMNUMVQOXUQTMS-ZJTZAHLKSA-N 591.085 4.658 0 40 KJAB CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc4c(c3)c3ccccc3n4CC)c(=O)n21 408971936 MJLXOQMZSITXDX-CXABMRDKSA-N 625.747 4.960 0 40 KJAB CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O 409021107 XZEAIYSRFRWXGH-XIEYBQDHSA-N 501.608 4.624 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 409027537 FLEUZEQQHAXFLA-UHFFFAOYSA-N 610.054 4.936 0 40 KJAB CCOc1cc(/C=C2/C(=O)N(CC)C(=S)N2C)cc(I)c1OCc1ccc(C)cc1 409032332 IQGHFMCEEQIXAU-UNOMPAQXSA-N 536.435 4.997 0 40 KJAB COc1ccc(NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 409056684 HVQVFNDRAIOTQJ-UHFFFAOYSA-N 509.411 4.840 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OC)c(Br)c4)c(=O)n32)cc1 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40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(OC)ccc3OC)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 59886607 TZYMQKNWQBOPBQ-UHFFFAOYSA-N 625.725 4.656 0 40 KJAB CCCOc1ccc([C@@H]2CN3C(=O)CN(CCCN(CC)CC)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC 70692199 PKQOAXLKFOJMFA-BNHRFMORSA-N 546.712 4.729 0 40 KJAB biogenic COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2coc3ccc(OC)cc3c2=O)cc1 85878434 GLZKITASFGBKCS-QGZVFWFLSA-N 512.470 4.730 0 40 KJAB biogenic O=C(CSc1nnc(CNC(=O)c2ccccc2F)n1-c1ccc(Cl)c(Cl)c1)Nc1nccs1 97961512 LHFCQVWRKYCABC-UHFFFAOYSA-N 537.429 4.831 0 40 KJAB CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc(Cc2ccc3c(c2)OCO3)c1C 97963299 RUVCROIFMCHIED-UHFFFAOYSA-N 556.662 4.590 0 40 KJAB C[C@@]1(C(=O)NCc2ccc(CNC(=O)[C@@]3(C)CC3(Br)Br)cc2)CC1(Br)Br 98050478 WLXFCRMXFBWFGC-IYBDPMFKSA-N 615.986 4.711 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(Br)cc1 100264243 KZLRKSVNZPYGRB-KFVRLDSISA-N 568.276 4.573 0 40 KJAB COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(OC)c1 100306071 SLFCFBXWEOMFQZ-GVMLUORFSA-N 546.048 4.545 0 40 KJAB CCc1cc(Br)ccc1N1C(=O)[C@H]2N=NN(CC(=O)N3N=C(c4ccccc4)C[C@H]3c3ccccc3)[C@@H]2C1=O 101999846 CEBOYJYQBRCLBF-URORMMCBSA-N 585.462 4.683 0 40 KJAB O=c1c(S(=O)(=O)c2cccc(Cl)c2)cn(Cc2ccc(F)cc2)c2cc(N3CCOCC3)c(F)cc12 102021999 QVCZWIQRCUUDBL-UHFFFAOYSA-N 530.980 4.651 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 108448679 NKQWJACPTYVNIQ-WPSWHPGRSA-N 589.733 4.628 0 40 KJAB biogenic Cc1cc(OC/C=C(/c2ccc(F)cc2)c2ccc(C#CCN3CCOCC3)cc2)ccc1OCC(=O)O 116990232 UAQOKKXVCNQHIP-IPPBACCNSA-N 515.581 4.792 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(=O)c4ccccc4I)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 150416869 MRHIEDAIFIDXOS-ABBNRAPFSA-N 680.520 4.631 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 222514257 YQTTZHFVJPQNMA-AYWVHJORSA-N 595.762 4.930 0 40 KJAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 222551901 IFQGIJLBWAITCM-FXAWDEMLSA-N 513.457 4.981 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 222590658 GHYSHPXDFSUQIF-RBJSKKJNSA-N 595.762 4.664 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN1C(=O)c2ccccc2C1=O 222742535 BXRRMQGYXKDSFD-NDEPHWFRSA-N 543.639 4.614 0 40 KJAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 222824044 BRLIUFKMXRZWDA-OAHLLOKOSA-N 527.868 4.634 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 222843185 CLDDPOHBFYZHBE-PMERELPUSA-N 606.144 4.930 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 222974028 WWTVDVSFUVZYPT-SFHVURJKSA-N 566.482 4.881 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccccc1 223038798 HTJICOGSRWNOPF-NRFANRHFSA-N 586.552 4.760 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O 223319655 FQMONXBIZBSMGB-QGZVFWFLSA-N 518.441 4.703 0 40 KJAB COc1ccc(CNC(=O)[C@@H](c2ccccc2)N(Cc2ccc(Cl)cc2)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 223370588 NZLBVSFFXVQGAF-UUWRZZSWSA-N 678.207 4.835 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 223603248 BNMUYKOSTVAPIF-XMMPIXPASA-N 535.710 4.615 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 223650302 KRZYWJQYRMAFNX-SANMLTNESA-N 529.747 4.882 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223699100 NPGOZXFANGILJL-HHHXNRCGSA-N 611.736 4.557 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 223738427 PEPYQPQSZICXMW-YTTGMZPUSA-N 629.779 4.984 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223891738 AWINKCKONOXYSA-OAQYLSRUSA-N 572.525 4.588 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 224018090 CGTPKHKDTOMYQA-DEOSSOPVSA-N 577.747 4.929 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224029871 WVKQNCGFZBKMNT-OAHLLOKOSA-N 548.920 4.745 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1C 224079362 ZZFUNYWAXOWDDL-VWLOTQADSA-N 535.710 4.688 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224434124 OETMQBBJWGEBPN-NRFANRHFSA-N 546.492 4.622 0 40 KJAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 224603932 IQYLLSHBDJRBOV-GDLZYMKVSA-N 565.736 4.575 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 224624093 WVKUHXICLBKRDW-QHCPKHFHSA-N 554.540 4.668 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 224845276 CAHFMUVXFGTALU-LJQANCHMSA-N 553.647 4.516 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)c1 224901171 ZHKJLWVGTWHSOM-LJAQVGFWSA-N 598.165 4.814 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 225049003 MFDWYBLKBPNQST-AREMUKBSSA-N 527.731 4.634 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225114786 CNGHHVFSBUYNNL-NHCUHLMSSA-N 552.137 4.535 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 225152854 VVFYTWBGSGUKEV-XMMPIXPASA-N 521.683 4.771 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 225265215 PFQOIEXRCVFDRV-HHHXNRCGSA-N 555.672 4.718 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225359935 TZEURVYMNRDYEM-HSZRJFAPSA-N 600.565 4.644 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 225362980 QGPDGTLITUWHFX-BJKOFHAPSA-N 581.735 4.540 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 225376181 VAANJOYFDRLVPA-NDEPHWFRSA-N 557.757 4.540 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 225471033 XATAYRONCTVKCF-HHHXNRCGSA-N 574.118 4.802 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 225629759 XTEDNUDKLUVIHZ-INIZCTEOSA-N 564.482 4.760 0 40 KJAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)CN(Cc4ccccc4)S(=O)(=O)c4ccc(OC)cc4)cc32)cc1 226009203 LDRAIHNEBARAQI-UHFFFAOYSA-N 585.682 4.736 0 40 KJAB CC1CCN(c2cc(N3CCc4ccccc4C3)nc(NC(=S)NCc3ccc4c(c3)OCCO4)n2)CC1 226014867 GNZBNLMGURBHPS-UHFFFAOYSA-N 530.698 4.533 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 260785145 LKVRGEWMCGAMBS-HSZRJFAPSA-N 551.684 4.806 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)[C@H](C)C(=O)NC1CCCCC1 260787271 LBGHYTIVUAJZKH-LJQANCHMSA-N 554.540 4.934 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 260876649 BNLNDDURZCZLOT-HXUWFJFHSA-N 552.137 4.617 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 260883658 CIMFQLMDBVZCBG-RTWAWAEBSA-N 555.663 4.626 0 40 KJAB COc1ccc(/C=C(\Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)O)cc1I 408631583 KMEZTMLGNOXIJQ-PXNMLYILSA-N 543.770 4.965 0 40 KJAB COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)c1 408647743 VMDMDDTYUSNOPG-LXGCGDOSSA-N 503.382 4.663 0 40 KJAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccccc3C)cc2)cc1 408664428 BYYVOUTXCHKLIL-UHFFFAOYSA-N 504.539 4.865 0 40 KJAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)ccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408674495 ZTZKGRCHSWJKMS-YXUYFDPTSA-N 508.574 4.642 0 40 KJAB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc(I)c1OCC(=O)O 408838314 UVDOXBQNEQAQOR-SCRHHBKZSA-N 715.953 4.604 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(C)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408907657 CAPLHQOPVXMGGK-KJANZVAVSA-N 524.642 4.643 0 40 KJAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)c(I)c2)C1=O 408919313 WHJRRAHAZCSQCR-YBFXNURJSA-N 537.375 4.778 0 40 KJAB COc1cc(OC)c(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1Br 408957900 ULVJYXCCUKFWIU-QZMHYXCESA-N 666.388 4.738 0 40 KJAB CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cccc(Cl)c3Cl)c(=O)n21 409015930 PQYOOFGZCNRNAN-VOZFUJEASA-N 591.513 4.529 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3/C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@H]1c1cc(Br)ccc1OC 409120351 ZBTDFHQZHLZCHH-CFDCUEGPSA-N 709.416 4.816 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(F)F)cc3)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br 409151285 AWGQNNCUEQRZNX-KIHONOKQSA-N 623.472 4.570 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 409156211 RCQMHLDSMCXVBO-DHZHLRGYSA-N 695.838 4.695 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c2ccc(F)cc2)cc1OC 409173589 MBPRBHDTULVFQP-UHFFFAOYSA-N 613.689 4.786 0 40 KJAB O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1 409189318 JFLWFGRLWQBOEX-UHFFFAOYSA-N 530.602 4.871 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc(Br)c1OCC(=O)OC 409346399 KGRAEWFTEKXWDZ-ZDLGFXPLSA-N 675.295 4.679 0 40 KJAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc(Br)cc1C(C)C 409352160 ZBBQWPAGRIEQTP-UHFFFAOYSA-N 516.465 4.845 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccccc4F)c(Br)c3)C2=O)o1 409399757 LMPKOKVMJINXNL-ODLFYWEKSA-N 529.318 4.640 0 40 KJAB O=S1(=O)C[C@@H](N(CCNC(c2ccccc2)c2ccccc2)C(c2ccccc2)c2ccccc2)[C@@H](O)C1 575421453 QOVCQNKGSBBSTJ-IHLOFXLRSA-N 526.702 4.615 0 40 KJAB Cc1cccc(C(=O)N2CCC[C@](COc3cc(C)c(Cl)c(C)c3)(CC(=O)N3CCC(O)CC3)C2)c1 585288156 YBQZCJJCQZPRNF-LJAQVGFWSA-N 513.078 4.940 0 40 KJAB Cn1nccc1C(=O)N1CCCN(Cc2ccc(Cl)cc2)CCCN(C(=O)C2CC2)c2ccccc2C1 643571653 JNCBOHVTAMCWBM-UHFFFAOYSA-N 520.077 4.755 0 40 KJAB O=C(NC[C@@H]1CCC2(CCN(c3cc(C(F)(F)F)ncn3)CC2)CO1)c1cccc(C(F)(F)F)c1 1614938748 QDMRDAAFWFEOLH-KRWDZBQOSA-N 502.459 4.710 0 40 KJAB COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccccc4I)cc3n2)cc1Cl 678838 VKYQZADPJFHYOR-UHFFFAOYSA-N 563.808 4.814 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccc(OC)c2)C(=O)c2cnccn2)cc1 921396 UCORYHXQEMQUKJ-MHZLTWQESA-N 502.615 4.717 0 40 KJAB COc1ccc(-n2c(=O)c3c4c(sc3n3c(S[C@H](C)C(=O)NCc5ccccc5)nnc23)CO[C@H](C(C)C)C4)cc1 1775178 CAOHITLBQKSZKF-JPYJTQIMSA-N 589.743 4.998 0 40 KJAB CCC(=O)Oc1ccc(/C=C2\N=C(c3cc(I)ccc3Cl)OC2=O)cc1OC(=O)CC 2092592 MQDLUJADHJVGEU-SXGWCWSVSA-N 553.736 4.920 0 40 KJAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3c(C)[nH]c4ccccc34)c2=O)=N1 2154757 KHTPLZYIUOQZRL-RWTNITNYSA-N 506.027 4.630 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c2ccccc2F)cc1 6601277 QLHVUSQYLKXSKS-MHZLTWQESA-N 544.631 4.876 0 40 KJAB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc(OCC(C)C)c4)cc3)CC2)c1 8903451 LAYDUUUXCRUHQM-UHFFFAOYSA-N 517.626 4.953 0 40 KJAB COc1ccc(-n2c(SCC(=O)NCc3ccc(C)cc3)nc3c([nH]c4ccccc43)c2=O)cc1OC 9518309 TYJIABFOQGPYIT-UHFFFAOYSA-N 514.607 4.601 0 40 KJAB COc1ccc(-c2n[nH]cc2C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1 9972965 ZOZNAPUXXVBSAY-UHFFFAOYSA-N 508.486 4.890 0 40 KJAB CCN(C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1-c1ccccc1C)[C@H]1CCS(=O)(=O)C1 12542147 MYWAWOMDHCJRCJ-FQEVSTJZSA-N 504.077 4.629 0 40 KJAB CC1(C)C[C@H]2C[C@](C)(CN2S(=O)(=O)c2cccc(C(=O)OCC(=O)NC34CC5CC(CC(C5)C3)C4)c2)C1 12563727 VTBWAIICRBJWCD-XRHOCYOASA-N 528.715 4.518 0 40 KJAB CCOc1ccccc1[C@@H](C(=O)NCc1ccccc1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 13028466 BLBWYZQYYBKFPO-LJAQVGFWSA-N 523.593 4.510 0 40 KJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 13678295 YCIVCXMCANIJME-INIZCTEOSA-N 526.486 4.702 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccc(N2CCOCC2)cc1 14397943 DVWAMINSYNEZFD-UHFFFAOYSA-N 506.411 4.883 0 40 KJAB C[C@@H]1N[C@]2(C(=O)N(Cc3ccc(F)cc3)c3ccccc32)[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 15320414 SIZOWOMSYOWCDN-LETPREFUSA-N 505.549 4.519 0 40 KJAB Cc1cc(C(=O)COC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)c(C)n1CC(F)(F)F 16043968 WBMSHAWNYHSYDG-UHFFFAOYSA-N 500.473 4.623 0 40 KJAB CN(C)CCCN(C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1nc2ccc(F)cc2s1 16913538 FOIBPVGXGQIYLA-UHFFFAOYSA-N 532.707 4.987 0 40 KJAB COc1cc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 17594875 VOEVKEPEEHBQGY-RTBURBONSA-N 563.767 4.540 0 40 KJAB COc1ccccc1-c1ccc(C(=O)N(C)Cc2cc(C)no2)c(N2CCN(c3ccccc3F)CC2)n1 19145709 MRWFQVHHTGZZAP-UHFFFAOYSA-N 515.589 4.792 0 40 KJAB O=c1c([C@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3F)CC2)coc2ccc(Cl)cc12 20098007 LXGIYJUGKFFWLB-XMMPIXPASA-N 508.985 4.599 0 40 KJAB Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N(Cc3ccco3)C[C@@H]3CCCO3)c(=O)[nH]c2c1 57608306 YYIXBTDAINAXLI-OZXSUGGESA-N 502.619 4.692 0 40 KJAB CC[C@H](C)[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(OC)c3)N2C1=O)C(=O)O 70705733 LQXURSIVSZMJHU-YSLVSLGOSA-N 580.641 4.889 0 40 KJAB biogenic 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40 KJAB COC(=O)c1cc2cc(NC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(Cl)cc3)ccc2s1 216071614 XBHARWJLWUOAGD-NRFANRHFSA-N 529.039 4.870 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 222499500 PABRWBGDRGRZOE-QFIPXVFZSA-N 542.101 4.624 0 40 KJAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2c3ccc(Br)cc3C[C@@H]2C)C1 222607667 MHPYXRPHQUOOKR-JKSUJKDBSA-N 541.895 4.880 0 40 KJAB COc1ccc(C(=O)N2c3ccc(Br)cc3C[C@H]2C)cc1S(=O)(=O)N1CCCCCC1 222926012 GCOMTKFOSPDLNW-MRXNPFEDSA-N 507.450 4.614 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 222957352 UQAPMKZRLCBCLX-SFHVURJKSA-N 542.529 4.708 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 222958932 IAGVNDRVIQEUFI-OAQYLSRUSA-N 557.713 4.605 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 223056816 SZCIFTSAPRXKBK-NRFANRHFSA-N 602.551 4.597 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 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4.696 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 224911191 OBONLRGKYGOLHG-SANMLTNESA-N 576.546 4.924 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 225057138 CMCPUHXEQOCFGR-MHZLTWQESA-N 545.721 4.937 0 40 KJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-n1cnnc1 225066598 VICFRYZJJMVZJA-VMPREFPWSA-N 564.675 4.597 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 225184284 QSHKIFXVEMLOCO-HZPDHXFCSA-N 548.920 4.745 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccnc3)c2C)cc1 225208604 DSUJPRMEFSJLTP-KAYWLYCHSA-N 512.639 4.646 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 225226475 NYGWUZGEIUOBIG-LJQANCHMSA-N 586.980 4.982 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(=O)O)c2)cc1C 225277635 IYTPIBVDLHFMOR-SXOMAYOGSA-N 541.633 4.641 0 40 KJAB 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CCc1cc(Br)cc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 226048943 MJBKZFLWZJITIP-GOSISDBHSA-N 509.466 4.676 0 40 KJAB CC(=O)Nc1ccc2nc(NC(=O)CN3CCC[C@H]3Cc3c(C(=O)O)sc4ccccc34)sc2c1 257233391 GPCCCEXDFPFGJE-INIZCTEOSA-N 508.625 4.813 0 40 KJAB Cc1cc(CN2CCO[C@](COc3cc(C)c(Cl)c(C)c3)(CC(=O)N3CCC(O)CC3)C2)c(C)s1 257341051 ZIQUHJADIBCINA-HHHXNRCGSA-N 521.123 4.659 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)N(C(=O)c3ccc(OC)cc3)CC4)C2)cc1C 260733863 FIWOARIOTPQFMO-DEOSSOPVSA-N 577.703 4.645 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1OC 260910772 DCWLOKZOUHEJRN-OAQYLSRUSA-N 620.143 4.881 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c(C)c1 260932076 XILYSBAFTXNEOZ-LJQANCHMSA-N 542.529 4.566 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1 260936217 QMDZXORFBFNJLK-GDLZYMKVSA-N 605.757 4.579 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 260952406 KCSVRJWIODMTEX-DQEYMECFSA-N 535.710 4.831 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)c1 260964245 ZPIOIXIWTWRWDC-JOCHJYFZSA-N 602.153 4.742 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 260971032 MMABESGOWLZUPN-VXKWHMMOSA-N 602.153 4.885 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 261052220 MEZCYEQNDHEKPP-ZBLYBZFDSA-N 574.118 4.800 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 261083331 RPSCREYHHSTZGE-IDISGSTGSA-N 574.118 4.654 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 261086680 SFIIFLMTYAOHNP-HHHXNRCGSA-N 571.690 4.594 0 40 KJAB COc1cc(OC)cc(-c2nc(S/C(=C\c3cc(Br)c(O)c(Br)c3)C(=O)O)n[nH]2)c1 408635112 YWVQGHNHHDGHTH-WCSRMQSCSA-N 557.220 4.937 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(Cl)c2)cc1 408636888 VOICCQSPYGETPK-RMKNXTFCSA-N 570.111 4.776 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1C(=O)N1CCCCCC1 408693480 WIBSVSFVODTWIL-UHFFFAOYSA-N 578.112 4.966 0 40 KJAB CN(c1cccc(NC(=O)c2ccc(N(Cc3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)c1)S(C)(=O)=O 408712394 WJTVAUHRZFYSSV-UHFFFAOYSA-N 556.493 4.608 0 40 KJAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2cc(Br)cc(I)c2O)S1 408805178 JEWIJIFIRUDVSM-UHFFFAOYSA-N 546.204 4.839 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4ccc(OC)cc4OC)c(=O)n32)cc1 408836350 QHIRXPBKWKQJDD-KEPJHFNWSA-N 569.683 4.517 0 40 KJAB Cc1cccc(CN(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)S(=O)(=O)c2ccc(Cl)cc2)c1 409064849 QGFNZJCFJKOOJX-UHFFFAOYSA-N 532.493 4.842 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccc(C)cc2)cc1Br 409116319 ITJXIXBENMSZGE-UHFFFAOYSA-N 592.943 4.964 0 40 KJAB Cc1ccc(C(C)C)c(OCC(=O)NCc2nnc(SCC(=O)Nc3ccc(I)cc3C)n2C)c1 409156894 OOOGGCACSDZJRL-UHFFFAOYSA-N 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579.636 4.591 0 40 KJAB CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccco2)cc1 901163 WXBCXRCDZWSEMO-HHHXNRCGSA-N 501.587 4.646 0 40 KJAB CCc1nnc(NC(=O)c2cn(C3CC3)c3cc(N4CCN(C(=O)c5cccc(Cl)c5)CC4)c(F)cc3c2=O)s1 1311397 SJXLMVUBHGTHKR-UHFFFAOYSA-N 581.073 4.758 0 40 KJAB CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2cccc(OC)c2)c1 9288096 BDCOYUVVGGTLKL-VWLOTQADSA-N 515.566 4.547 0 40 KJAB CCOc1ccc(-n2c(SCC(=O)N3CCC(Cc4ccccc4)CC3)nc3c(c2=O)SCC3)cc1 9415878 QNFQUOFLVRAQBJ-UHFFFAOYSA-N 521.708 4.853 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(C(=O)CNC(=O)c1cccs1)c1ccc(OC)cc1 12488660 HGQOLVQULKGMFU-RUZDIDTESA-N 523.655 4.574 0 40 KJAB CC(C)(C)NC(=O)[C@@H](c1ccccc1)N(CCc1ccc(Cl)cc1)C(=O)CNC(=O)c1cccs1 12490374 XZDCKERKVVRNJY-XMMPIXPASA-N 512.075 4.859 0 40 KJAB Cc1ccc(N2C(=O)C[C@@H](C(=O)OCc3nc(N)nc(Nc4ccccc4C)n3)[C@@H]2c2cccs2)cc1 12533080 SOKGYXDMRCKYON-NTKDMRAZSA-N 514.611 4.713 0 40 KJAB COc1ccc(N(C(=O)c2ccc3c(c2)OCCO3)[C@@H](C(=O)NC2CCCC2)c2ccc(O)cc2)cc1 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CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(C(=O)CCC(=O)Nc1cc(C)on1)c1ccc2c(c1)OCCO2 38145986 WTPPZCVJWVFJFY-MUUNZHRXSA-N 594.665 4.569 0 40 KJAB O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 59837647 NLTVAJQMXVPKPF-UHFFFAOYSA-N 610.585 4.675 0 40 KJAB COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCC(=O)OCC(=O)c3ccc(Br)cc3)cc2)cc1 97948584 DEDMXLGZRKKZFC-UHFFFAOYSA-N 582.403 4.642 0 40 KJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)Nc3ncc(Cl)cc3Cl)cc2)c1 97982497 VVONLRZBMKJRPL-HNNXBMFYSA-N 522.410 4.990 0 40 KJAB O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1)c1ccc(Br)cc1 97995714 QMTZZRNHMZREDU-UHFFFAOYSA-N 628.578 4.636 0 40 KJAB COc1cc(OC)c(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(O)n2)cc1Cl 97999348 LONHSKJRAYHDKJ-UHFFFAOYSA-N 552.074 4.714 0 40 KJAB CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc1 98009650 QFRGBEVKEYOEEG-XUNZJTMSSA-N 578.735 4.628 0 40 KJAB COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1OC 100292566 WTHJWONNLOWVHF-GDLZYMKVSA-N 561.708 4.772 0 40 KJAB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]54)[C@H]3C2=O)cc1)c1ccc(-c2ccccc2)cc1 100664125 XUNCLLAZQVCLKF-LANGJZDMSA-N 503.554 4.951 0 40 KJAB CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cc(Br)ccc3OC)[C@H]2C1=O 101186960 JTIRNWDGRKBKGI-SGNDLWITSA-N 523.383 4.908 0 40 KJAB COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCC(=O)Nc2ccc(C(N)=O)cc2)cc1Cl 103132875 QGJQAMOBBJYKFD-UNOMPAQXSA-N 527.027 4.625 0 40 KJAB O=C(c1ccccc1)c1ccc(OC(=O)[C@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N32)cc1 103553916 QTOWHENKLSQGHZ-VNWIGOPPSA-N 584.584 4.642 0 40 KJAB CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccccc3OCC)n2CC)c(C(=O)OCC)c1C 105200861 FZCICXLSTGZGRT-UHFFFAOYSA-N 546.671 4.818 0 40 KJAB Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc2)cc1C 106711299 QLNLBWBWXKBBMH-IWIPYMOSSA-N 515.591 4.996 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)C1=O)N1CCOCC1 214311297 IGRBXLHEJWTPIN-UDWIEESQSA-N 551.846 4.577 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 222577497 JRPPFJCDXANSHP-FYBSXPHGSA-N 579.763 4.964 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 222631045 VSSIIODCQHKXCU-HHHXNRCGSA-N 553.700 4.970 0 40 KJAB CCc1ccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC)c(Br)c1 222717221 RJYKRWMTJLQVNA-ZDUSSCGKSA-N 502.236 4.860 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 222725285 SGQWZLRGLYBIED-OAHLLOKOSA-N 568.445 4.722 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 222924440 DMKIBNNZSBHCQE-HHHXNRCGSA-N 647.579 4.861 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 223029138 DPQZNXIPRBLDGN-DEOSSOPVSA-N 565.736 4.839 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223197933 GUVBIFVUYLWDGF-JOCHJYFZSA-N 572.127 4.878 0 40 KJAB 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GTNAKNDWYJSWFO-UHFFFAOYSA-N 570.715 4.848 0 40 KJAB COc1ccccc1CC(=O)N1CCCC[C@@H]2CN(c3ncc(C(=O)O)c(CCc4ccccc4Cl)n3)C[C@H]21 585266048 AQBIDNPNKOQFMH-ATIYNZHBSA-N 549.071 4.682 0 40 KJAB COc1cccc(CN(Cc2ccccc2F)S(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1 933710 FNFPCCBBFHKDOJ-OAQYLSRUSA-N 546.686 4.646 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2)C(C)C)cc1 2111977 NVEMKHFLNPWIMP-MHZLTWQESA-N 519.619 4.909 0 40 KJAB biogenic CC[C@H](C)[C@H](NC(=O)CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O 2140546 DLEAMLICSMSRRZ-RKUKZPSBSA-N 501.664 4.826 0 40 KJAB biogenic CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1cc3c(C)nn(-c4ccc(Cl)cc4)c3s1)n2CCC 3294546 VCLHCTDEMNMAIS-UHFFFAOYSA-N 555.060 4.816 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCN(c4cccc(Cl)c4)CC3)cc2c1 6135373 PMEHRIOMAHGPGN-MUUNZHRXSA-N 540.071 4.690 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 8425467 BLCQXIILHAOWJR-KECXRQEKSA-N 562.647 4.803 0 40 KJAB COCCCn1c(-c2ccc(OC(=O)c3ccccc3)cc2)cs/c1=N/S(=O)(=O)c1ccccc1 12042087 DFQXGHZYHGOVGU-CYYJNZCTSA-N 508.621 4.762 0 40 KJAB COC(=O)c1cc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)ccc1Cl 19856003 AMWUMJGENWWXAJ-UHFFFAOYSA-N 507.395 4.922 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N(CCc3ccccc3)Cc3ccccc3)cc2c1 20082337 AXOVTFOXGAMIKL-GDLZYMKVSA-N 522.653 4.558 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2C(F)(F)F)cc1C 22268431 SXCPIWSQLFTVQK-JOCHJYFZSA-N 506.546 4.941 0 40 KJAB COc1cccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccc(F)cc2)C(=O)CCC(=O)Nc2cc(C)on2)c1OC 38146011 JWOBERYSKOSMOD-AREMUKBSSA-N 554.619 4.543 0 40 KJAB Cc1ccc(C(=O)O[C@@H](COc2cccc3ccccc23)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1 59565427 PXHJXTDBTYOWFR-HSZRJFAPSA-N 514.603 4.834 0 40 KJAB O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 59929306 AJKBBTCCKYHGDR-WKMHLBOISA-N 558.531 4.741 0 40 KJAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C 59929724 NSCSHQMKIUECOQ-WJOKGBTCSA-N 583.754 4.827 0 40 KJAB CC[C@H](NC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 97957018 LLYFEXUDONDXMG-AHKZPQOWSA-N 597.668 4.766 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CCNC(=O)COc3ccccc3-c3ccccc3)C2=O)cc(OC)c1OC 97980227 INPUGSVSLYVJSE-KOEQRZSOSA-N 548.617 4.611 0 40 KJAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc(Br)c(Cl)c3)n2C)cc1 98045497 TYGQPEQSDPOBTK-CYBMUJFWSA-N 522.856 4.761 0 40 KJAB O=C(CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NC[C@H]2CCCO2)CC1)Nc1ccccc1Cl 98049363 ZMPWKTDSTCULGU-XVAXZDLZSA-N 569.127 4.882 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCCOc4ccccc4C)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 100270627 PEYWZYDMYPSGBJ-AYKFIEGGSA-N 628.747 4.972 0 40 KJAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COC(=O)[C@@H](CCSC)NC(=O)c1ccccc1OC 103005236 BKOCNZPUNOBTPE-HXUWFJFHSA-N 570.689 4.634 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 103084528 KGWVLADCPSWPMI-UHFFFAOYSA-N 544.629 4.882 0 40 KJAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@H](NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 104150567 DRALDEYSNGRUOW-HFJAXUQVSA-N 586.800 4.546 0 40 KJAB biogenic CCOc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2F)cc1Br 105314532 JXBZBGZOQCVNOF-UHFFFAOYSA-N 523.165 4.718 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 150387178 SCBKBBGQIYQPTO-UMSFTDKQSA-N 693.794 4.945 0 40 KJAB COc1cccc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2Cc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2)OCO4)c1 150430166 UVSRPNSNYIBTHB-UHFFFAOYSA-N 682.755 4.903 0 40 KJAB Cl[Sn](CC[Sn](Cl)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 195760552 BXABCACOBVQGMR-UHFFFAOYSA-L 644.806 4.984 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 222470911 VSHQTKVKSZHIOD-PMERELPUSA-N 696.222 4.956 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C 222689790 YYCWUIGXPGJBQR-KRWDZBQOSA-N 562.054 4.765 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 222747272 PDHSUVNDUKQNRZ-XMMPIXPASA-N 572.555 4.880 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 222761679 GIBLNIDGWMRDGY-MRXNPFEDSA-N 534.465 4.599 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 223018702 MDJCTHFQTJUBQP-RUZDIDTESA-N 565.736 4.923 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223023885 NKIQPKFXKAHZHN-RUZDIDTESA-N 565.736 4.674 0 40 KJAB O=C(NCc1ccc2c(c1)OCO2)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223183497 CCADQJDDYYTHKE-JGCGQSQUSA-N 657.764 4.884 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1OCC)S(C)(=O)=O 223186768 VGNAOYABJSKRFN-OAQYLSRUSA-N 552.137 4.619 0 40 KJAB CCOCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 223282776 ACVDJMIHBWCZJB-GDLZYMKVSA-N 502.655 4.811 0 40 KJAB COc1ccc(CCNC(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1OC 223298662 BTHJUSRCJFPXDR-UMSFTDKQSA-N 629.779 4.594 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223331961 RJFHBRMFJVQJNV-OAQYLSRUSA-N 562.054 4.847 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 223570451 DQGRJIRYSBDLER-AREMUKBSSA-N 551.709 4.614 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)NCCOc1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 223908160 VHTYRHYZIUCGTM-UHFFFAOYSA-N 517.047 4.664 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223943630 XJDYCHWIKGNOOX-CYBMUJFWSA-N 555.311 4.620 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 224112949 TUJYFDBKPQOWFG-SANMLTNESA-N 616.578 4.905 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 224322905 FXZLFYTYWIFUBV-LJAQVGFWSA-N 567.727 4.847 0 40 KJAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 225046530 ROHYINKQEWENHD-AREMUKBSSA-N 549.737 4.793 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 225139794 HXJMUCQKCVGQLI-QFIPXVFZSA-N 542.101 4.869 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 225141526 ZNBUOUYDEQCNKP-JOCHJYFZSA-N 602.153 4.886 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 225147320 KGBRKBOKRZWJCJ-NRFANRHFSA-N 564.148 4.761 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225212058 DHKUCTBCFPMXIO-QGZVFWFLSA-N 592.478 4.568 0 40 KJAB COc1cc(OC)cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC2CCCCC2)c1 225219552 RMLRWXZFTHGYSX-SFHVURJKSA-N 533.463 4.711 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](CC)C(=O)NC1CCCCC1)S(C)(=O)=O 225349050 FLTULJAXKXXGGJ-MHZLTWQESA-N 587.783 4.896 0 40 KJAB O=C(c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1)N1CCCC1 225786216 ZMWAAHNCGCJQFC-UHFFFAOYSA-N 528.055 4.802 0 40 KJAB CCOC(=O)Cc1ccc(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 226030953 OJTAQZOXEQTEJS-UHFFFAOYSA-N 515.031 4.584 0 40 KJAB CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(Cc1ccccc1C)CC2=O 253408729 YRYXWBLXRCCOCJ-ZMKCNYCCSA-N 503.687 4.669 0 40 KJAB COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC[C@H]3O[C@@H]21 257329214 XIYYQAVNEIZSCU-YMBXHIRXSA-N 534.719 4.807 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 260704206 AEZSOHVZSVJPAB-OAQYLSRUSA-N 573.662 4.501 0 40 KJAB Cc1cccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)[C@H](C)C(=O)NC2CCCCC2)c1 260769128 GLGSLQQUUBUZFR-HSZRJFAPSA-N 535.710 4.635 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)c2ccccc2)cc1 260819825 XQTNTPVDEBQJDW-HSZRJFAPSA-N 581.710 4.896 0 40 KJAB O=C(NCCc1ccccc1)[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c2ccccc2O1 260830861 UQJLBJCRPUPUER-CUBQBAPOSA-N 518.057 4.705 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC(C)C)c2ccc(F)cc2)cc1OC 260852271 DZVUXVSPIVVSFY-HXUWFJFHSA-N 650.567 4.743 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 260880373 IJZFCGDMMJIJCJ-VXKWHMMOSA-N 632.179 4.893 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 260906749 FIAWNXKQEHLRBJ-CYFREDJKSA-N 540.101 4.747 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1 260907909 XHHUZQDFBQEITM-HHHXNRCGSA-N 636.598 4.941 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC)S(C)(=O)=O 261116641 YRDOJJARPKJMAZ-GIGWZHCTSA-N 549.737 4.570 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 261118006 YWLLPIUDPDTHAW-PWUYWRBVSA-N 549.737 4.570 0 40 KJAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)cc2)cc1 408547313 YTMXUADARBISRA-UHFFFAOYSA-N 543.645 4.745 0 40 KJAB COc1ccc(CCNC(=O)C(=O)Nn2c(C(=O)Nc3c(C)cccc3C)cc3cc(Br)ccc32)cc1OC 408572920 BUZLMAAOCGVKDL-UHFFFAOYSA-N 593.478 4.719 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408611463 XAVNMMSDDFWXTC-UHFFFAOYSA-N 553.990 4.887 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1cccc(NC(C)=O)c1)S(=O)(=O)c1ccc(Cl)cc1 408618073 JGRVWPXZAMEEFX-UHFFFAOYSA-N 501.992 4.531 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1 408643055 FKTHSSSNBCKETE-RGXZNCPUSA-N 557.002 4.830 0 40 KJAB Cc1c(Br)ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)c2)c1C 408684372 JTXLIHGUGMMOHT-KPOBHBOGSA-N 527.415 4.787 0 40 KJAB CCc1cc(Br)ccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C[C@H](C=C4C)[C@H]3C2=O)c1 408685594 LSXIVXNOHIARJW-ZCQFCAMWSA-N 537.410 4.509 0 40 KJAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](c5ccccc5)CC[C@H]4C3=O)cc2)cc1 408688319 QNYPVIVHRIOBBT-XCRWMPKNSA-N 539.588 4.514 0 40 KJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1NS(C)(=O)=O 408711158 ZGNULTOVMIBELJ-UHFFFAOYSA-N 528.439 4.726 0 40 KJAB CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1ccc(Br)cc1 408737731 OHHGSMUTLYFCNE-NRFANRHFSA-N 501.377 4.650 0 40 KJAB CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC 408772406 LKUFVGGFYYPVAF-ZGOFBEGVSA-N 681.552 4.894 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cccc(Oc5ccccc5)c4)c(=O)n32)cc1OCC 408932664 DHTGBYVTJHQGGE-WAWVYTBHSA-N 556.640 4.608 0 40 KJAB CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)C1=O 409000237 NAPYFDBMGCEHLQ-OVCLIPMQSA-N 621.190 4.839 0 40 KJAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OCc3cccc(F)c3)cc2Br)C1=O 409074904 NZMLTFZSMYEHSI-DKSCHZSNSA-N 524.364 4.774 0 40 KJAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OC)cc3OC)C2=O)cc1 409103021 CMWSABTYWGKVRJ-VXLYETTFSA-N 521.389 4.540 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)CC1 409137724 YQXPNBJYTKDHFO-UHFFFAOYSA-N 518.466 4.846 0 40 KJAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2c(C)cc(I)cc2C)o1 409150713 DJNSBXUDZGETKD-UHFFFAOYSA-N 509.369 4.909 0 40 KJAB COc1ccc(CCNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 409171965 FQJKVNMNOAAJMT-UHFFFAOYSA-N 517.047 4.528 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCC(C)CC4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 409274618 DXYGWJUJNMWJKT-SOUQWLJBSA-N 571.674 4.904 0 40 KJAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O 524731548 BKMZXPVCRHLBDR-KNQAVFIVSA-N 518.566 4.574 0 40 KJAB biogenic COc1ccc(-c2cc(C(=O)N3CCC4(CCCCc5ccccc5OC[C@@H](C)NC4=O)CC3)n(C)n2)cc1 643562284 HVRPDSQBCGQXSE-JOCHJYFZSA-N 530.669 4.628 0 40 KJAB O=C(COCCOCCOCC(=O)OCC(=O)Oc1c(I)cc(Cl)c2cccnc12)OCC(=O)Oc1c(I)cc(Cl)c2cccnc12 2061000757 QTJOUXMYLOQJKH-UHFFFAOYSA-N 913.239 4.946 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccccc1)N(CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O 1374442 NDIJQEIKSJCDFC-NDEPHWFRSA-N 508.626 4.768 0 40 KJAB 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CN(C)c1ccc(NC(=O)[C@H](c2ccc3c(c2)OCO3)N(Cc2cccnc2)C(=O)Cc2ccccc2)cc1 1418781 DCBQCRLVRRAIQJ-PMERELPUSA-N 522.605 4.828 0 40 KJAB COc1ccc(NC(=O)[C@H]([C@H]2CC=CCC2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 1418950 XMYCTUZDADCVKM-IADCTJSHSA-N 509.610 4.832 0 40 KJAB CCOC(=O)c1c(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(OC)cc2)sc2c1CCCC2 3644553 XGNMVXVZKGMVQY-HSZRJFAPSA-N 554.690 4.567 0 40 KJAB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2cccc(O)c2)N1Cc1ccc2c(c1)OCO2 3656232 MSSYLYPCJUZCEA-JOCHJYFZSA-N 506.308 4.735 0 40 KJAB CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)Nc1ccc(I)cc1 6075208 LKJDKEBTHDXVSB-IBGZPJMESA-N 538.382 4.647 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(SC)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 6227255 PXVLAAWHEHUHOH-WALVNQSHSA-N 530.671 4.682 0 40 KJAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)Oc1ccc(N(C)S(=O)(=O)c4cc(C)ccc4C)cc1)(C3)C2 12986582 QOPSXOOSPNXCMG-LDCALFFHSA-N 510.656 4.509 0 40 KJAB COc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2cccc(F)c2)cc1 13030638 VDFCAYAYPXXGMS-MHZLTWQESA-N 503.578 4.516 0 40 KJAB COc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)cc1 13030644 POZLEGDALKUQDC-LJAQVGFWSA-N 527.625 4.579 0 40 KJAB Cc1c(Cl)cnc(NC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1Cl 15634974 CMQWZGSNBDGHIB-FQEVSTJZSA-N 516.381 4.716 0 40 KJAB CCOc1ccccc1N(CC(=O)NCCSCc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 20061298 BDNJVOWRPTYLHQ-UHFFFAOYSA-N 512.697 4.947 0 40 KJAB CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 33430208 UHDDTAVMYJGSQC-GOSISDBHSA-N 503.628 4.611 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2cccc(Br)c2)C2CCCCC2)cc1OC 59834947 GOVSVDFYSXUALJ-KRWDZBQOSA-N 539.492 4.667 0 40 KJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)cc2)c1 59882556 WSWXQOOFCACIST-UHFFFAOYSA-N 565.673 4.993 0 40 KJAB S=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCC(Cc2ccccc2)CC1)Nc1ccc(-n2cccn2)cc1 67870813 YBKDZENKRZFLDJ-FEVNIDIWSA-N 528.770 4.824 0 40 KJAB biogenic,in-vitro 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O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 103048999 HAADFZSMWLEFSF-UHFFFAOYSA-N 586.095 4.758 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 103789912 HGCJZZPNZFSFJR-IGSWSUAKSA-N 585.520 4.701 0 40 KJAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cc(OC)cc(OC)c4)CC3)cc2)cc1 104147028 UIOKJJSNCVEWFL-UHFFFAOYSA-N 562.692 4.582 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)S(=O)(=O)c2ccc(F)cc2)cc1 107793254 PJYCIOSADQMDIQ-UHFFFAOYSA-N 546.642 4.785 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 111469854 YNMIXPMNHLDCJC-ZRYJBNJPSA-N 620.683 4.991 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1C(=O)N1CCC(C)CC1 112256927 JJJUHQQHSVZNMA-UHFFFAOYSA-N 578.112 4.822 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 215989684 UTCGJFNLRUDSMV-SANMLTNESA-N 534.619 4.502 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 222488482 NVGABPDLCOUAOG-WNCULLNHSA-N 545.746 4.580 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c2ccc(Cl)cc2)cc1 222644881 DPGKWWLVYRJNOK-NRFANRHFSA-N 572.127 4.876 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 222757668 GEJOGHMBELSUCC-SANMLTNESA-N 576.546 4.762 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 222847885 GZSAMTRDMYTNSI-JGCGQSQUSA-N 599.753 4.893 0 40 KJAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 222883533 NJMJRXGWYUTXNM-DEOSSOPVSA-N 535.710 4.520 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223263930 PTVINCOELMJPGD-DEOSSOPVSA-N 624.518 4.652 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 223364871 WWHUXUGCIXKNKJ-NRFANRHFSA-N 548.920 4.746 0 40 KJAB 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CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 224564058 QELVSDXITPUNSC-HHHXNRCGSA-N 616.578 4.905 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(SC)cc1 224577998 LLIHNFOMQFRUAM-MHZLTWQESA-N 613.802 4.955 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 224588196 CSUXWZNRMIRPQY-PMERELPUSA-N 611.736 4.904 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 224625689 VKQMAIALUOJSPG-OAQYLSRUSA-N 558.100 4.840 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 224657924 GBWRLPXYSQFSBU-SFHVURJKSA-N 574.065 4.991 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 224661475 LPPINKFHXCEDPF-HHHXNRCGSA-N 529.747 4.738 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 224685138 HZNYDLGDIWWQBR-XMMPIXPASA-N 535.710 4.696 0 40 KJAB 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4.775 0 40 KJAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1C 59834356 ANLPMVANZQCQGL-FDDCHVKYSA-N 531.472 4.533 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1cccc(Cl)c1 59888092 JDKGGSRTMISGPQ-UHFFFAOYSA-N 544.054 4.699 0 40 KJAB COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H]3c4ccccc4C(=O)N23)cc1 70701512 GSZCSHPFOGADSM-VDCPHJTRSA-N 598.703 4.733 0 40 KJAB biogenic O=C(NCCCN1CCOCC1)/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccc(Cl)cc1 97947697 NXTMGNFQRIWURJ-MOHJPFBDSA-N 528.436 4.863 0 40 KJAB Cc1oc2c(C)c3oc(=O)c(CC(=O)N[C@@H](CSCc4ccccc4)C(=O)NCCCC(=O)O)c(C)c3cc2c1C 97957059 PXFOIVUNMXYXCK-VWLOTQADSA-N 578.687 4.715 0 40 KJAB CCOc1cc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(OC)cc3)s2)cc(OCC)c1OCC 97961318 FFWQJJLGAACYBG-UHFFFAOYSA-N 532.644 4.726 0 40 KJAB COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc2c1CC(C)(C)NC2(C)C 97963580 HPMKKACQZNNZQG-UHFFFAOYSA-N 541.695 4.772 0 40 KJAB 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545.509 4.836 0 40 KJAB COc1ccccc1CCNC(=O)CC[C@@H](C)[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 72325305 DVGARQVWEHOOJY-FNTYMBJESA-N 541.773 4.732 0 40 KJAB biogenic Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(C(F)(F)F)nn(-c5ccccc5)c4s3)CC2)cc1 97945690 YAOIRVSYZVPRLS-UHFFFAOYSA-N 534.585 4.561 0 40 KJAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1OC 97981274 YNDMQIDINZLOAS-UHFFFAOYSA-N 569.499 4.872 0 40 KJAB CC(C)(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3Br)nc2O)cc1 97999346 IZEWHHILXPZPHW-UHFFFAOYSA-N 536.473 4.806 0 40 KJAB O=C1[C@H]2N=NN(CC(=O)N3N=C(c4ccccc4)C[C@H]3c3ccccc3)[C@@H]2C(=O)N1c1cccc2ccccc12 98042752 PVXDJLRZJUVMAK-ZXRKZBAXSA-N 528.572 4.511 0 40 KJAB COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1OC 100292487 BOVZBCSVVUQMCZ-HKBQPEDESA-N 555.679 4.710 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1OC)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F 100355967 QMBFJAVMMOYZQH-HHHXNRCGSA-N 533.604 4.667 0 40 KJAB 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CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 223164643 BECDHVOASCUPKQ-QZTJIDSGSA-N 572.953 4.509 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 223242486 HSBKKVHNDOOFGL-DEOSSOPVSA-N 553.700 4.971 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223587641 IWOVKDFSYMWMKQ-MHZLTWQESA-N 581.735 4.623 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 223692766 YJDHSJGDFTVBDT-VWLOTQADSA-N 515.720 4.608 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN1C(=O)c2ccccc2C1=O 223694438 DIMPTDYWWNHABH-SKCUWOTOSA-N 543.639 4.757 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)cc1 223774133 QCIOBTHGKSJCCV-VWLOTQADSA-N 577.747 4.983 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 223848120 WXCYNABVRYOAQN-FQEVSTJZSA-N 546.064 4.618 0 40 KJAB 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225306436 XOOQRAZBESNTSH-KAYWLYCHSA-N 558.616 4.810 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 225362948 QGPDGTLITUWHFX-DNQXCXABSA-N 581.735 4.540 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)[C@@H](C)C(=O)NC(C)C 225486074 JQSHULWHQVZRQA-VWLOTQADSA-N 535.710 4.749 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 225549882 CCNMTHRYABAAHB-HKBQPEDESA-N 569.727 4.885 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 225659953 KWVOHJKNOHKLDZ-RTWAWAEBSA-N 517.474 4.916 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)cc1C 225751237 AMRUXFRCHSXXGU-PMERELPUSA-N 563.764 4.790 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)c2cc(C)cc(C)c2)cc1OC 260757886 SHDKNTFZXZLHBQ-RUZDIDTESA-N 595.762 4.766 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c2ccccc2)cc1OC 260795200 MVTXJPMUWYFOEA-RUZDIDTESA-N 607.773 4.808 0 40 KJAB CCOc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 260825594 ZMRUZLVSQVAAKH-RUZDIDTESA-N 579.763 4.964 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccccc1 260957074 GJGGJHCNSZGOQI-MUUNZHRXSA-N 568.139 4.805 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc(Cl)c1 260959628 GXXANOPUOIREHL-MUUNZHRXSA-N 586.129 4.944 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 260988186 PLFNQBPCIHXHCV-DFHRPNOPSA-N 569.699 4.752 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 261059172 NKCJBPJKQDKLEH-FIPFOOKPSA-N 570.155 4.969 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 261068297 PFHFINNTEYMMMJ-BTYSJIOQSA-N 567.727 4.763 0 40 KJAB COc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)Nc4cccc(Cl)c4C)CC3=O)cc2)cc1 408656146 MOPBCZCTCTWNAW-SFHVURJKSA-N 508.958 4.984 0 40 KJAB C[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408662402 RLQOWPANYHYMMI-IHAPXQGNSA-N 552.385 4.533 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)n2[C@H]1c1ccccc1 408754401 UCUYYIDOOBNFCK-VZIOXZNFSA-N 525.413 4.975 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OC(C)C)c(=O)n2[C@H]1c1ccc(C)cc1 408830250 PAKXAMPBHZBAJS-YMSBRDKKSA-N 511.043 4.547 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3OC)c(=O)n2[C@H]1c1ccccc1Cl 408835113 MLNSVKHQXJLEKS-JYWRCUDFSA-N 629.303 4.718 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3OC(C)C)c(=O)n2[C@H]1c1ccc(OCC)cc1 408837073 YPEQIRXDYDSSIQ-PNZYDNNZSA-N 662.546 4.597 0 40 KJAB COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)S(C)(=O)=O 408927449 VGNYSAKPUBQQIA-UHFFFAOYSA-N 572.492 4.516 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccc(C(=O)O)cc5)c(I)c4)c(=O)n32)cc1OCC 408932008 ASIPNMXFNWTDKL-MGQZUQOPSA-N 740.572 4.697 0 40 KJAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5cccnc5)c4C)c(=O)n32)c1 408944965 WCZRWJBRRUSDPI-PYCBVSLESA-N 575.694 4.685 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OCC)c4)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408976932 VABGYKLFQOQWEF-FHMSYZJOSA-N 586.666 4.634 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409037994 OHMZERYVOQFZPT-VKSQQWFDSA-N 677.175 4.981 0 40 KJAB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)OCO2 409090917 NQNRUZFPZNBRPY-UHFFFAOYSA-N 537.819 4.661 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(I)c1OCc1ccc(Br)cc1 409192586 FFISCAIRIADBHP-CXUHLZMHSA-N 557.182 4.554 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)cc2)C1=O)Nc1ccc2c(c1)OCCO2 409195220 NPZBOKKDLDLWNH-ZMOGYAJESA-N 520.538 4.851 0 40 KJAB CSc1ccccc1NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 409258144 RQGTZDMORBUKIZ-UHFFFAOYSA-N 538.432 4.847 0 40 KJAB COc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409267584 OGJQNUYRSDFDRA-UHFFFAOYSA-N 510.059 4.859 0 40 KJAB CCCCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)c2ccccc21 409389116 OVMHSDORMRPOMT-FXEAUDGPSA-N 594.133 4.757 0 40 KJAB O=C1CN(C(=O)c2ccc3c(c2)CCC3)CCCCNC(=O)c2cc(Cl)ccc2OC[C@@H](Cc2ccccc2)N1 643556255 HFTKHBVKXZBSTA-HHHXNRCGSA-N 560.094 4.601 0 40 KJAB CN(CCCC[C@H]1C(=O)N(C)CCCCCOc2ccccc2C(=O)N1C)C(=O)c1ccccc1Cl 643559771 MPFLQEGTKUQFSL-DEOSSOPVSA-N 514.066 4.744 0 40 KJAB COc1ccc(C(=O)N2CCN(C(C)C)CCCN(S(C)(=O)=O)c3cc(Cl)ccc3C2)cc1-n1cccc1 643559880 GSBHOHBFDUHCBJ-UHFFFAOYSA-N 559.132 4.662 0 40 KJAB Cc1cc(C)nc(SCC(=O)N(Cc2ccccc2)[C@@H](C(=O)Nc2ccc(N(C)C)cc2)C(C)C)n1 1407869 PRYWOPJJYVZDFC-AREMUKBSSA-N 505.688 4.944 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 2120412 WHSSUFLNIUSVIA-RISWYLRJSA-N 593.057 4.809 0 40 KJAB CCOC(=O)[C@@H](C)Oc1ccc([C@@H]2NC(=S)NC(c3ccccc3)=C2C(=O)Nc2ccc(C)cc2)cc1 2143057 PWPYYSAGZXNBCV-BCHFMIIMSA-N 515.635 4.894 0 40 KJAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2447728 XGFOBOZVGINZNK-UHFFFAOYSA-N 535.695 4.918 0 40 KJAB CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccc(F)cc3)C(=O)N12)C(=O)NCc1ccc(C)cc1 2968377 YYTQNNHOSBWSHA-IZZNHLLZSA-N 571.678 4.627 0 40 KJAB O=c1cc(CSc2nc3ccccc3c3nc(CCc4c[nH]c5ccccc45)nn23)nc2ccccn12 2968843 WGALMYPCFJIWOR-UHFFFAOYSA-N 503.591 4.844 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCc2csc(-c3ccccc3)n2)cc1OC 3273642 WGHSZBVZEOXHCA-UHFFFAOYSA-N 510.593 4.985 0 40 KJAB CC(C)c1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2c[nH]c3ccccc23)cc1 6190833 HFLICPWIKCDCDF-RUZDIDTESA-N 544.681 4.876 0 40 KJAB COc1c(I)cc(I)cc1[C@H]1Nc2ccccc2-c2nnc(SC)nc2O1 8443751 RWDKFEYWLSFLQX-INIZCTEOSA-N 604.211 4.981 0 40 KJAB COc1ccc(C(=O)N/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N2CCOCC2)cc1 9334965 AYMKGWHGPFNRSE-JCMHNJIXSA-N 501.366 4.892 0 40 KJAB COc1ccc(CCNC(=O)CSc2cn(CCNC(=O)c3ccccc3C)c3ccccc23)cc1OC 9391852 WFADDKINNSNURZ-UHFFFAOYSA-N 531.678 4.848 0 40 KJAB O=C(CSc1nnnn1-c1ccc(O)cc1)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 12528682 DEULBSNKBKEZTA-SANMLTNESA-N 506.591 4.991 0 40 KJAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)N[C@H](Cc4c[nH]c5ccc(O)cc45)C(=O)O)c(C)c3cc2c1C 12874177 OMKQWZVVMLVXAB-XMMPIXPASA-N 516.550 4.704 0 40 KJAB biogenic O=C1COc2ccc(C(=O)CSc3nc4sc5c(c4c(=O)n3-c3ccccc3)CCCC5)cc2N1 13149874 XDQBRZYJTXTLKD-UHFFFAOYSA-N 503.605 4.632 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2C)c2cccc(Cl)c2)cc1 16362812 DNEHKKPNQCUZGX-UHFFFAOYSA-N 519.088 4.902 0 40 KJAB CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 22278118 JFWYUWUSWBBHGJ-UHFFFAOYSA-N 517.003 4.668 0 40 KJAB Cc1cc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccccc2F)ccc1Br 25390426 WOLZWUYFGDEJTN-NRFANRHFSA-N 503.393 4.651 0 40 KJAB CCCCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCCC2)cc1 40476192 LFUIVLRDBZLSCV-UHFFFAOYSA-N 515.676 4.519 0 40 KJAB COCCCOc1ccnc(Cn2c([S@](=O)Cc3nccc(OCCCOC)c3C)nc3ccccc32)c1C 59024180 GPEBYGLKBPIFHI-KDXMTYKHSA-N 552.697 4.630 0 40 KJAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Br)cc2F)cc1Cl 59834038 LNIUBARBELVWGZ-FQEVSTJZSA-N 541.826 4.779 0 40 KJAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1 59836724 YISQRRILFIBINA-UHFFFAOYSA-N 540.482 4.781 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1-n1ccnc1C)S(=O)(=O)c1ccc(C)cc1 60016599 PKYMPIUNEUEWGM-UHFFFAOYSA-N 539.057 4.663 0 40 KJAB C[C@H](CCC(=O)N1CCc2ccccc2C1)[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 72325715 JFKIIONFZPCBBJ-SIPSGJDJSA-N 523.758 4.949 0 40 KJAB biogenic Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)s1 84688361 PXTVRLCNEFFXFB-UHFFFAOYSA-N 529.987 4.867 0 40 KJAB CCOC(=O)C1=C(COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)NC(=O)N[C@@H]1c1ccco1 89978349 NTMRNCDPIAKHGB-RUZDIDTESA-N 515.497 4.662 0 40 KJAB CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CCN1CCN(c2cccc(Cl)c2)CC1 97952047 IWVSVOIHAUWONF-UHFFFAOYSA-N 533.854 4.911 0 40 KJAB C[C@@H](c1nnc(SCC(=O)Nc2ccc(Br)c3ccccc23)n1C)N1C(=O)COc2ccccc21 101068829 ISJSOBUYXQQSNO-HNNXBMFYSA-N 552.454 4.948 0 40 KJAB CCOc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(Br)c(O)c(OC)c4)[C@H]3C2=O)c1 101220391 HNXXTGRHWIMJPL-GPXNEJASSA-N 539.382 4.613 0 40 KJAB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c(Cl)c1)[C@@H]1CCCN1[C@]21c2ccccc2-n2c1nc1ccccc1c2=O 101505237 LRUVXUQSSSZDSJ-PHBCIFJZSA-N 543.410 4.533 0 40 KJAB CCCN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1cccc(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 102283799 MJKZRUGSJWHNDJ-UHFFFAOYSA-N 620.739 4.740 0 40 KJAB Cc1c(C(=O)OCC(=O)NCCCN2CCCC2=O)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 103133147 KIRCGIJTWRHKFU-UHFFFAOYSA-N 525.574 4.638 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 103862435 VYJNZLNUMSMACW-LMTOTAIGSA-N 605.510 4.715 0 40 KJAB COc1ccccc1-c1nnc(S)n1NCc1cc(Br)c(OCc2cccnc2)c(OC)c1 105348749 IIOAXKXRYHNWFX-UHFFFAOYSA-N 528.432 4.731 0 40 KJAB COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2C)cc(OC)c1OC 222799533 DSEVDGXGXXVBCU-UHFFFAOYSA-N 549.045 4.512 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 223064463 LTIVICQEAVRFLN-SFHVURJKSA-N 562.054 4.767 0 40 KJAB O=C(NCc1ccc(Cl)cc1)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223150973 FBOKKUZRSWKCMX-XIFFEERXSA-N 680.198 4.835 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 223164360 XNJITHUQDKZBGJ-HXUWFJFHSA-N 530.090 4.593 0 40 KJAB O=C(NCc1ccccn1)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 223169578 HTDPBJKWMVODHM-MGBGTMOVSA-N 628.770 4.894 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 223221533 ZYUJPVSUPQMYER-DEOSSOPVSA-N 546.064 4.536 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 223392754 BAZRINZMAJAMHX-INIZCTEOSA-N 548.920 4.746 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 223406143 QTKWZJULJLZNNG-DLFZDVPBSA-N 592.806 4.779 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 223519504 KYYIARPCWILHDD-SANMLTNESA-N 600.579 4.608 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223739265 OGZDOOKVHFAMLZ-XMMPIXPASA-N 563.720 4.508 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1 223809963 IMBKOYMDAQRABE-SFHVURJKSA-N 540.513 4.544 0 40 KJAB Cc1ccc(OCCNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 223833758 DZXPZVBBVDDGNC-UHFFFAOYSA-N 501.048 4.964 0 40 KJAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)cc1 223913314 ZEHCGNHWCSVUSD-LOSJGSFVSA-N 528.590 4.981 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 224062594 AXSCRGXHYTVPSW-QFIPXVFZSA-N 567.683 4.506 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 224112751 JFKPEQVXOOGOQN-HHHXNRCGSA-N 553.750 4.856 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 224553893 ZWJGWKUBICWEFD-HHHXNRCGSA-N 557.757 4.724 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224624484 ZOUMIAOWWVSCCG-LJAQVGFWSA-N 579.763 4.633 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 224626987 AAHIHCTUTWJLKB-HHHXNRCGSA-N 541.758 4.659 0 40 KJAB CSc1ccc(S(=O)(=O)NCc2cccc(CN3CCCCC3)c2)cc1C(=O)N1CCCCCC1 224679407 XCHMOHZMSDQUOX-UHFFFAOYSA-N 515.745 4.889 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 225003189 QWMFBSMZGIBKBK-HHHXNRCGSA-N 590.518 4.990 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)ccc1OC 225302437 RWBCBBHIBNICKI-SXOMAYOGSA-N 531.613 4.782 0 40 KJAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 225425770 SVIIVYNJDIZXFB-MUUNZHRXSA-N 535.710 4.566 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 225455901 HOALBBTUXVWRKN-XMMPIXPASA-N 535.710 4.947 0 40 KJAB Fc1ccc(CNC(=S)Nc2nc(Sc3ncccn3)cc(N3CCc4ccccc4C3)n2)cc1 225948759 ZTOUNOITGRODIV-UHFFFAOYSA-N 503.632 4.606 0 40 KJAB COC(=O)/C=C/c1cc(I)c(OCc2cccc(Br)c2)c(OC)c1 226337071 VABZAPCUVVLBCB-VOTSOKGWSA-N 503.130 4.828 0 40 KJAB O=C(COc1ccc(Br)cc1/C=c1\sc2nc(-c3ccncc3)nn2c1=O)Nc1ccccc1C(F)(F)F 256055542 KIHPHWFAYWVSIQ-NDENLUEZSA-N 602.392 4.560 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C 260751174 PTQBWNGWTGTDOH-LJQANCHMSA-N 542.529 4.790 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)[C@H](C)C(=O)NC2CCCC2)c1 260761494 DJSIXKGVDNJDTK-JOCHJYFZSA-N 627.735 4.523 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](CC)C(=O)NC)S(=O)(=O)c1ccc(Cl)cc1 260854008 DIOOKASDJVPOBT-RUZDIDTESA-N 572.127 4.796 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 260868367 DHSYHMJFTSVYHM-AREMUKBSSA-N 549.737 4.997 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 260899929 UKJHYPIJGUCJKE-MUUNZHRXSA-N 586.154 4.588 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 260974630 NCKKQGRIEULDDF-MOPGFXCFSA-N 542.529 4.872 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 260995779 QVASDURJQONKLX-ZEQRLZLVSA-N 611.761 4.548 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 261014407 HHYKXYLHOMWJCQ-VIZCGCQYSA-N 563.764 4.933 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 261048530 LMPFUPVTVHRAOQ-YADHBBJMSA-N 616.578 4.985 0 40 KJAB COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 408533291 QEIRDIQGQBCZHV-UHFFFAOYSA-N 509.367 4.598 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1cccc(C(F)(F)F)c1 408593180 MWJMUYFKSADSLF-UHFFFAOYSA-N 522.501 4.585 0 40 KJAB COc1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1 408593318 NHIZVVAIXGHPOH-UHFFFAOYSA-N 508.518 4.865 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1 408606267 OLDZGJTXBZOGRY-UHFFFAOYSA-N 520.438 4.522 0 40 KJAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 408619889 OGQAGTXPHUMMCJ-UHFFFAOYSA-N 553.420 4.631 0 40 KJAB O=C(O)/C(=C/c1cc(I)c(O)c(I)c1)Sc1nc2ccccc2[nH]1 408631671 AHEXEIHRTSNTFO-QPEQYQDCSA-N 564.142 4.696 0 40 KJAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@H]5C[C@@H](C)CC[C@H]5C4=O)c(C)c3)CC2=O)cc1Cl 408639704 GZSZGOSECOXVFR-OZPQRRJYSA-N 509.002 4.841 0 40 KJAB CCc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)c1 408684027 JETIVOIYQAIFTE-FTFJCDQMSA-N 522.601 4.974 0 40 KJAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)S(C)(=O)=O 408711542 VPAKTWLBCFSJFC-MRXNPFEDSA-N 556.493 4.896 0 40 KJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)c(OCC(=O)O)c(Br)c3)S2)cc1 408791259 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O=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2 1382676 ACDFAPKIAUAANB-NDEPHWFRSA-N 532.568 4.815 0 40 KJAB CC1(C)Cc2c(sc3nc(SCC(=O)NCCc4ccccc4)n(-c4ccccc4)c(=O)c23)CO1 2246864 YTQGPWJCHWLMCP-UHFFFAOYSA-N 505.665 4.750 0 40 KJAB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)NC(=O)Nc1ccc2c(c1)OCCO2 2637561 AIWBMQVVMSFYDA-UHFFFAOYSA-N 502.961 4.816 0 40 KJAB COc1cc(NC(=O)c2sc3sc(C(=O)Nc4cc(OC)cc(OC)c4)c(N)c3c2N)cc(OC)c1 3624170 IUCMCIAYSKKQDI-UHFFFAOYSA-N 528.612 4.666 0 40 KJAB O=C(c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(c2ccccc2F)CC1 6189920 WNPAANVQNJZJIP-UHFFFAOYSA-N 508.402 4.896 0 40 KJAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(Cl)c(OC)c(Cl)c3)cc2)CC1 8897335 JXEFRRGFJDOBJY-UHFFFAOYSA-N 509.459 4.578 0 40 KJAB CC(C)(C)c1ccccc1OC[C@H](O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 9434027 DOVUTYXAERXZIQ-HSZRJFAPSA-N 500.639 4.885 0 40 KJAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2N2CCOCC2)cc1 12565719 LXRSSSCMFMLXAE-UHFFFAOYSA-N 523.655 4.882 0 40 KJAB 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CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223636686 JRQVUYXKSUQORP-QDPGVEIFSA-N 570.155 4.824 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 223639160 BOJNQTCBZHBYBE-MHZLTWQESA-N 529.747 4.882 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1cc(OC)cc(OC)c1 223690872 LLZQHROAQULIBM-LYZGTLIUSA-N 522.617 4.777 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 223985258 XALXSIJRZROWFZ-NRFANRHFSA-N 632.577 4.523 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224178870 FXWYKJMRNRTQDZ-LJAQVGFWSA-N 623.747 4.967 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 224230484 ODVFLRJPKPPJGD-LJAQVGFWSA-N 599.197 4.736 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 224327078 CKRIIGPKONHUCF-MRXNPFEDSA-N 548.920 4.602 0 40 KJAB 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QYZZHSUTMBPDMY-UHFFFAOYSA-N 544.696 4.972 0 40 KJAB CC(=O)N1CC[C@H]2CC[C@@H](CN(C(=O)COc3ccccc3C)Cc3ccccc31)N2Cc1ccncc1 643577566 UXLNAKIOYJPRLS-IZLXSDGUSA-N 512.654 4.587 0 40 KJAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)c2ccc(CN3CCOCC3)o2)o1 885621 LDPVKUKQWGIACP-GDLZYMKVSA-N 563.651 4.575 0 40 KJAB Cc1cc2cc(CN(CCc3ccccc3C)S(=O)(=O)c3ccc4c(c3)OCCO4)c(=O)[nH]c2cc1C 915059 HKDONQJVYZSFLA-UHFFFAOYSA-N 518.635 4.658 0 40 KJAB COc1ccc(CCN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)Cc2nnnn2C2CCCCC2)cc1OC 927360 QOIPDDHHOOHTJB-UHFFFAOYSA-N 530.673 4.899 0 40 KJAB CCOc1ccc(Cn2c(SCc3cccc(C(F)(F)F)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC 1076739 YKQDHSZJCDRSAL-UHFFFAOYSA-N 548.587 4.591 0 40 KJAB COc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3nc(NS(=O)(=O)c4ccc(NC(C)=O)cc4)nn32)cc1 1287700 KGYSGSCIUAZIDR-XMMPIXPASA-N 551.028 4.755 0 40 KJAB CCOC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OCC)C1c1cccc(Br)c1 2796996 SGZIAFNRKPJYBU-UHFFFAOYSA-N 500.389 4.951 0 40 KJAB O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)Nc1ncc(Cl)cc1Cl 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PBKQXRXUKKBAIZ-XMMPIXPASA-N 501.446 4.738 0 40 KJAB Cc1ccc(CN(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 22536004 DKUARPXKUWQECR-SFHVURJKSA-N 519.436 4.965 0 40 KJAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1Br 22824104 GNDPHJJMEMLGNN-UHFFFAOYSA-N 501.450 4.916 0 40 KJAB COc1cc2c(cc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC1)oc1ccccc12 59833751 FIUWLORPXWBBFH-HXUWFJFHSA-N 521.639 4.545 0 40 KJAB COC(=O)c1cc2cc(NC(=O)C3CCN(S(=O)(=O)c4cc(C(C)C)ccc4OC)CC3)ccc2s1 59836828 HDVVRNWUWFPSSK-UHFFFAOYSA-N 530.668 4.859 0 40 KJAB COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NC[C@H]4CCCO4)C(=O)N32)cc1 70707379 WBZBYPBNSGROHX-LJQNWDROSA-N 550.615 4.568 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 100189630 HINJQSDMYPMCEV-JUTHHCEFSA-N 577.486 4.608 0 40 KJAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)c(C(=O)O)c1OC 101081199 AOSMQUGFTDUVIK-XPNTWCBSSA-N 543.359 4.760 0 40 KJAB CC(C)C[C@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]21 101500877 AMFTWLGBALJBNF-SYCPYCSESA-N 540.623 4.920 0 40 KJAB COc1ccc(C)cc1NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C)c3)[C@H](C)C2)ccc1F 102857910 NKTBVSUOULXYOE-HXUWFJFHSA-N 511.619 4.603 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1OCC(=O)N1CCCC1 106738319 YDMSGRNSWKSFOB-RMORIDSASA-N 545.013 4.705 0 40 KJAB CC(C)[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 108523079 XFMFTOKPFCFGTG-UUZIFAJNSA-N 526.596 4.530 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2cc(C)ccc2C)cc1 139727383 HAUYHAZTXVLXEY-UHFFFAOYSA-N 564.689 4.642 0 40 KJAB O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1 139868739 YLGGBLBFXGFUFZ-UHFFFAOYSA-N 556.526 4.947 0 40 KJAB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1O 147675404 GFFIGPHEPSMFMD-ZDGAQAAHSA-N 610.448 4.777 0 40 KJAB COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cc(OC)c(Br)cc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC 150381643 DNQRVFFWTRQKQW-LHLJWNRRSA-N 687.584 4.934 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 222462900 ABAPSAIPYMFOFN-XMMPIXPASA-N 582.937 4.799 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 222543711 PVEZFGBEAYRFAR-LJQANCHMSA-N 548.492 4.660 0 40 KJAB C[C@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 222710678 NDKLVBSAIACCDO-HSZRJFAPSA-N 575.662 4.739 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 222929555 KZRLWOPQMFEEFE-DEOSSOPVSA-N 536.138 4.569 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 223057790 NPGUSNALGNBGEE-LJQANCHMSA-N 592.943 4.851 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223132783 UCBWXIMYVRMHGM-DEOSSOPVSA-N 608.544 4.759 0 40 KJAB COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)[C@@H](Cc2ccccc2)C(=O)NCCCOC(C)C)cc1 223249286 PIOGTUHSISZASG-LJAQVGFWSA-N 562.707 4.826 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 223463862 MIQPGOHBYYVCIM-JOCHJYFZSA-N 542.529 4.790 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223463938 IZWASXOOLBWDLK-QFIPXVFZSA-N 542.529 4.790 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 223559775 LVZBLZDWRNJPOF-SKCUWOTOSA-N 586.154 4.669 0 40 KJAB COc1ccc(N(CC(=O)NCCc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 223608338 FIUNTXMWAOHGMF-UHFFFAOYSA-N 507.439 4.865 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 223688154 BZFHQFYFWQJAFY-IBGZPJMESA-N 548.492 4.742 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223702740 QXXPAIWJZZACPE-DEOSSOPVSA-N 566.164 4.659 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 223804449 RTNHBZKONKCDQW-JOCHJYFZSA-N 542.529 4.792 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 223851920 BTRDLNZUDFKSDC-ZDUSSCGKSA-N 588.863 4.985 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 223964075 KGBGSYWXDVFWBQ-QFIPXVFZSA-N 592.080 4.857 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 223980706 WTYVDFLXHFMEOY-RBISFHTESA-N 586.154 4.669 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 224141928 AZUKZYIHLFYIQR-SANMLTNESA-N 586.552 4.896 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 224324801 FLYNKYQFCULEQO-GDLZYMKVSA-N 583.726 4.547 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](CC)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 224345270 PCABHQPLJDZIRV-VWLOTQADSA-N 534.122 4.535 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 224435181 ANOCNZYPZQRYFM-SANMLTNESA-N 574.118 4.800 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)[C@@H](C)C(=O)NC1CCCCC1 224688436 LBGHYTIVUAJZKH-IBGZPJMESA-N 554.540 4.934 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1C 224702167 ITKXWLGASZZRJU-NRFANRHFSA-N 566.562 4.554 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 224863117 DDHOZVDZCRKWFD-JOCHJYFZSA-N 539.673 4.527 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 224981832 GOMNZIINTRLYRN-BJKOFHAPSA-N 521.683 4.522 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 225047401 CQSDOLYJEBFYEI-RBBKRZOGSA-N 536.138 4.835 0 40 KJAB CCn1c(=O)sc2cc(NC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccccc3)ccc21 225078945 HLNHTCBAZXOUGE-UHFFFAOYSA-N 546.468 4.679 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 225149679 PXNRWANFOUECFA-MHZLTWQESA-N 641.787 4.558 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 225266071 ICPFBOWCSALANJ-HHHXNRCGSA-N 557.663 4.802 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C 225489327 PTQBWNGWTGTDOH-IBGZPJMESA-N 542.529 4.790 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1Cl 225721171 GNZXKEODFKWDEV-IBGZPJMESA-N 617.006 4.847 0 40 KJAB C[C@H]1C[C@@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NCC3(c4ccccc4)CCCC3)n2)C1 225971016 HDEVMXLGJFLTCP-SZPZYZBQSA-N 508.736 4.594 0 40 KJAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CN(Cc3cccc(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)c2)n1 226068047 SKGQHGSXAAMGMU-UHFFFAOYSA-N 557.459 4.882 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(OC)cc1)[C@H](CC)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 260705068 FFTFPHLNCWNTHQ-HHHXNRCGSA-N 581.735 4.621 0 40 KJAB 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CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 260883624 CHOQALRGMQVYQD-RTWAWAEBSA-N 522.111 4.527 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 260929919 HMITVVRQVIQROR-SJORKVTESA-N 562.947 4.787 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 260934407 MFBQAFYKBCBVJE-SSEXGKCCSA-N 563.764 4.790 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc4ccccc4c3)Oc3ccc(Cl)cc32)cc1 260934931 NOAZDGCAXLICIN-HHHXNRCGSA-N 553.036 4.653 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 261007611 GEGJSCDCWAZRSB-OALUTQOASA-N 617.006 4.989 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 261084532 RXVNIYDYESUDDN-HHHXNRCGSA-N 586.154 4.669 0 40 KJAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCCCC1 408621010 NUQFXZWSXIQBLX-UHFFFAOYSA-N 505.640 4.921 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1 408640034 ACLRFWDHANUZAM-JWQCQUIFSA-N 544.991 4.975 0 40 KJAB Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 408731578 LVFQQAYVGDFTGA-ZXHXWWIOSA-N 513.933 4.899 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3OC(C)C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408827601 LLGBQFFFKQYSSB-CBYYHRJHSA-N 615.546 4.755 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 408830406 RPOXMNRXLSKEFH-RPTCSZHISA-N 639.513 4.714 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)c2=O)=N1 408831656 ORIVAPHSSPIFIZ-ASZNLBCTSA-N 586.666 4.854 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 408842101 OBDTVFBFHJRBIW-JESJEVRBSA-N 660.704 4.942 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 408927915 YIGWNMFCIHCEGQ-YRSDHNRQSA-N 619.095 4.768 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)Cc2c(Cl)cccc2Cl)cc1 409005751 KZYBMJIDRFJMGL-UHFFFAOYSA-N 550.483 4.981 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 409126262 BJNRGKGRQATVRO-SRZZPIQSSA-N 581.872 4.585 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)sc2c1CCCC2 409138294 ZYISYNXLGIJKFG-UHFFFAOYSA-N 505.445 4.515 0 40 KJAB COc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 409265882 UTUCTDSRMNWXJY-IRXDYDNUSA-N 521.477 4.877 0 40 KJAB CCCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2OC)C1=O 409273382 QIIJJOBMJOLONE-XDHOZWIPSA-N 505.390 4.922 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409273871 MGJPQIBTKWKOFE-XYGWBWBKSA-N 551.665 4.706 0 40 KJAB CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)Nc1ccc(I)cc1 409354857 ACGIKJIIRKVYNH-UHFFFAOYSA-N 538.411 4.529 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4)c(Br)c3)C2=O)o1 409403031 YHPHSLNSIHOTBY-JAIQZWGSSA-N 602.825 4.901 0 40 KJAB CCOc1ccc2[nH]c(C(=O)N3CCO[C@]4(CCCCc5ccccc5OCCN(CC)C4=O)C3)c(C)c2c1 643556046 GDXFLIIWCCKBTR-WJOKGBTCSA-N 533.669 4.740 0 40 KJAB COc1cc(CNC(=O)c2ccc3c(c2)Cc2cccc(c2)CN(C(C)C)CCOCCO3)cc2c1OCO2 643580529 VWDNMQYRHQBTTI-UHFFFAOYSA-N 532.637 4.564 0 40 KJAB COCCN1CCCCCCN(C(=O)Cc2csc(C)n2)[C@@H](CC(C)C)COc2ccccc2C1=O 643583698 FSHQSLCVEWKLTP-DEOSSOPVSA-N 515.720 4.979 0 40 KJAB CCC1=C[C@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@@]34CCN3CC=C[C@@](CC)([C@@H]34)[C@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2 1528997591 GBABOYUKABKIAF-SFTRWRQYSA-N 778.947 4.754 0 40 KJAB CC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)Cc3csc(C)n3)Cc3ccccc31)N2Cc1ccccn1 2037940808 CYVUXHFGOVWMAG-SXOMAYOGSA-N 517.699 4.598 0 40 KJAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(C(=O)c1cnccn1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 883446 XGNJVLOGLNBHMY-HHHXNRCGSA-N 581.764 4.940 0 40 KJAB CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 902445 TZPZHZWDTSDGAG-NDEPHWFRSA-N 513.573 4.606 0 40 KJAB COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)CC(=O)N21 2108890 PWIRWGZAVSMDEC-YZNIXAGQSA-N 504.590 4.585 0 40 KJAB biogenic O=C1[C@H]2[C@H](C(=O)N1Cc1ccco1)C1(Br)c3ccccc3C2(Br)c2ccccc21 2319925 BGKDRAJBUFXXQB-WSUXWNOTSA-N 513.185 4.685 0 40 KJAB COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCN(c5ccccc5)CC4)cc3N2)cc1OC 3011078 BNEQZBPHPQWZIJ-XXBNENTESA-N 515.536 4.523 0 40 KJAB CCOC(=O)Nc1ccc2c(COC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)cc(=O)oc2c1 3335685 UGRFKVOXGRIPMX-UHFFFAOYSA-N 549.001 4.546 0 40 KJAB CN(C)c1ccc(NC(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 3766539 POZFGQQYRPXEKL-SSEXGKCCSA-N 546.627 4.691 0 40 KJAB C[C@H](NC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3)c1ccccc1 6283122 GGMDKWVQBLPDEF-KRWDZBQOSA-N 515.591 4.623 0 40 KJAB COc1ccccc1CN(Cc1ccco1)c1cnc(S(C)(=O)=O)nc1C(=O)Nc1cc(C)ccc1C 8654568 PRKVIIMFHGMENU-UHFFFAOYSA-N 520.611 4.558 0 40 KJAB aggregator CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C2=C(N=3)c3ccccc3CC2)cc1OC 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Cc1ccc(NC(=O)CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CC(C)(C)OC4)cc1 97951152 PGXXSWYPSJOWTC-UHFFFAOYSA-N 535.695 4.967 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2sccc2C)cc1 98006347 ZIPRAJUBEKKIAC-HSZRJFAPSA-N 551.690 4.815 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(=O)(=O)Cc4ccccc4)c4ccccc4O3)cc2)cc1C 100090025 YHYIZXDGGWWCPN-GDLZYMKVSA-N 591.711 4.840 0 40 KJAB COc1c2c(c(CSc3nnc([C@H]4COc5ccccc5O4)n3-c3ccccc3)c(OC)c1OC)C(=O)OC2 100241395 RWUMRYDXNVCOTP-OAQYLSRUSA-N 547.589 4.768 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC(C)(C)CC)N(CCc2ccc(OC)c(OC)c2)C(=O)Cn2nnc3ccccc32)cc1 100356385 MERBPDFFYIYOAG-HKBQPEDESA-N 587.721 4.965 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1OC)N(C(=O)CCC(=O)Nc1cc(C)on1)c1ccc(OC)c(OC)c1 100415916 RJMLOYCSTVTAAJ-NDEPHWFRSA-N 596.681 4.815 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(F)(F)F)o3)c(=O)n2[C@@H]1c1ccccc1 101100515 RWZNHJCHDXVELP-LJJBLSSYSA-N 524.520 4.687 0 40 KJAB O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 101156347 MAPXRJMSCMUKTM-LIONHTAISA-N 532.474 4.832 0 40 KJAB CCOC(=O)c1cccc(/N=c2\oc3c(C)ncc(COC(C)=O)c3cc2C(=O)Nc2ccc(OC)cc2OC)c1 102741705 JYAGOHCSIAPDPV-OVXWJCGASA-N 559.575 4.878 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4OC)cc3)c2)cc1 102996623 OXHNJWAFMIWHKG-UHFFFAOYSA-N 595.699 4.890 0 40 KJAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)OC(=O)CCS(=O)(=O)c1ccccc1Cl 103125141 XXEXIFIJZJZXIH-MRXNPFEDSA-N 550.054 4.979 0 40 KJAB COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2cc(I)ccc2Cl)c1 104084113 JVUDEESBNWMUJV-UHFFFAOYSA-N 603.844 4.946 0 40 KJAB C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O 136324592 MFIXLWYJTVEVGO-KVACJSCFSA-N 604.825 4.668 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 222858909 ZRJAYWFCHJZJMK-RUZDIDTESA-N 612.070 4.520 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 222892690 IWLBGLJBIBIBEA-IBGZPJMESA-N 592.943 4.851 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 223812863 RBRHJNKOIYLZDD-QFQXNSOFSA-N 626.573 4.539 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cc3ccncc3)cc2)c2ccc(F)cc2)cc1OC 223847294 YTHZWQAKINQXTN-UHFFFAOYSA-N 535.597 4.663 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)c2ccccc2)cc1 223881279 JZJFSPDZUJEBPB-QFIPXVFZSA-N 567.683 4.506 0 40 KJAB CCCc1ccc(OCCNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 223913822 HRANWBFPYFHTNW-UHFFFAOYSA-N 501.048 4.991 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(I)cc1 223959077 UIFQVDJZOATVPR-ZDUSSCGKSA-N 535.209 4.530 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223999698 ROSDAUWJFWDDTO-SFHVURJKSA-N 598.549 4.744 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccccc1C)[C@@H](CC)C(=O)NC1CCCC1)S(C)(=O)=O 224193266 GIJBIIXDLFYAHE-SANMLTNESA-N 557.757 4.806 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 224200611 VAIWPRIPICECDJ-MHZLTWQESA-N 539.673 4.581 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1 224263037 DIIZAIXBDUQSTL-NRFANRHFSA-N 590.117 4.873 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 224458033 OFAFKNLVXDBTEU-VWLOTQADSA-N 565.736 4.697 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Br)cc1 224592244 RHBPSYIIUKURLY-HSZRJFAPSA-N 503.437 4.703 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224624810 HKVYPEOKJGRTEN-LJAQVGFWSA-N 565.711 4.930 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(C)cc1)[C@@H](CC)C(=O)NCC(C)C)S(C)(=O)=O 224661886 BGTMJRQJOWOBSX-VWLOTQADSA-N 545.746 4.520 0 40 KJAB 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COc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(F)cc2)cc2cc(Br)ccc21 408572927 BYJIKGWLDDOADP-UHFFFAOYSA-N 525.334 4.513 0 40 KJAB CC[C@@H](C)NC(=O)C(=O)Nn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2cc(Br)ccc21 408581330 SJVGAAGKWUJKJJ-LLVKDONJSA-N 526.218 4.948 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2C)cc1 408665550 MNHOHPMPJQMIDA-UHFFFAOYSA-N 539.810 4.878 0 40 KJAB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)ccc1Br 408669794 OSHGLIHTRAKLFI-LBPRGKRZSA-N 500.176 4.599 0 40 KJAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cc2F)C1 408701396 XHIPOQQYBICEAG-MRXNPFEDSA-N 513.429 4.760 0 40 KJAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1cc(Cl)ccc1Cl 408702420 FWALHXGYMANFDV-UHFFFAOYSA-N 512.459 4.804 0 40 KJAB CCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)cc1OCC 408823603 FLPHDOANZCPDMN-OWXSRONMSA-N 541.069 4.639 0 40 KJAB COC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 408924290 FZDDHLFNNNCSLI-UHFFFAOYSA-N 507.395 4.922 0 40 KJAB 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WMFRLQXJSRAEDD-UHFFFAOYSA-N 521.422 4.538 0 40 KJAB COc1ccc(-c2cc(C(=O)N3CCC4(CCCCc5ccccc5OC[C@H](C)NC4=O)CC3)nn2C)cc1 643562666 LQKVQZGGUOLYDZ-QFIPXVFZSA-N 530.669 4.628 0 40 KJAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccc(OS(=O)(=O)c2ccccc2)cc1 2078042 OHLSQJRXTZISFI-PAIGMYNKSA-N 507.567 4.851 0 40 KJAB CCOC(=O)c1sc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)nc1C 2338454 JLPZMZRPCRQFFF-UHFFFAOYSA-N 514.654 4.736 0 40 KJAB Cc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)n1 2651355 VYPBLFJKFYSRCV-UHFFFAOYSA-N 524.610 4.834 0 40 KJAB Cc1ccc(C)c(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nc3sc4c(c3c2=O)CCCC4)c1 3312234 QAVWSONTZLGTHN-UHFFFAOYSA-N 518.664 4.773 0 40 KJAB O=C(CCS(=O)(=O)c1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1)Nc1ccccc1C(F)(F)F 3655030 YFVFOMISVUXMHT-UHFFFAOYSA-N 547.433 4.712 0 40 KJAB aggregator C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(NC(=O)C3CCCCC3)nc1[C@H]2CC(=O)NCc1cccs1 4222307 YXEVOJZXEKLLKQ-JEPPUSMKSA-N 545.771 4.845 0 40 KJAB biogenic,in-vitro 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558.854 4.518 0 40 KJAB COc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C(=O)Nc4cc(Cl)ccc4OC)[C@@H]3C2=O)cc1 101133057 DSHVRJVWSJFLAQ-QUMGSSFMSA-N 529.980 4.511 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cn(CC)c4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 103789096 UTZDNDGDVKUZTE-VLOXRPPESA-N 559.997 4.969 0 40 KJAB CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1 104665660 QUBNLZCADIYAFW-OQBOEOAESA-N 604.825 4.669 0 40 KJAB biogenic,in-vitro C[C@H](O)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCCCN)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 150400207 DTPOVRUPWUDFDW-CMRABKMFSA-N 768.864 4.502 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 198291961 IOJZGFDCRYKHBI-UHFFFAOYSA-N 674.599 4.889 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C)cc1 222432805 OBJXHDZFPITLHG-HXUWFJFHSA-N 562.519 4.969 0 40 KJAB 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0 40 KJAB O=C(COc1ccc(Cl)cc1)N1CCC(COc2ccc(F)cc2)(CC(=O)N2CCCCC2)CC1 257256138 KKGAAVOQIKZIHF-UHFFFAOYSA-N 503.014 4.948 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3nnc(SCC(C)C)s3)Oc3ccc(Cl)cc32)cc1 260747032 ZQTDJTHDKNRZQK-LJQANCHMSA-N 555.103 4.543 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NC)S(C)(=O)=O)cc1 260758570 LGNUJLCQNPJGMG-MUUNZHRXSA-N 614.606 4.944 0 40 KJAB Cc1cccc(N(CCCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1C 260804855 QGIJLOHLBZMTKK-RUZDIDTESA-N 541.758 4.758 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 260903445 OZFYLPVBIRNTLC-SFHVURJKSA-N 554.974 4.819 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 260939068 IMERVBTWFYJVEW-XMMPIXPASA-N 625.788 4.938 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 261021146 WBURRLGOGDXVIE-PMACEKPBSA-N 522.111 4.561 0 40 KJAB 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JKSNCMWJUZRMBU-UHFFFAOYSA-N 506.942 4.550 0 40 KJAB O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)c3ccc(F)cc3)N2C1=O)NCc1cccs1 2967475 QCYJYMYNIVHEFQ-NRFANRHFSA-N 520.611 4.558 0 40 KJAB O=C(CCCCCn1c(S)nc2ccc(Br)cc2c1=O)NCCc1c[nH]c2ccccc12 2973903 LWCGPWOHNJHXSW-UHFFFAOYSA-N 513.461 4.848 0 40 KJAB CCN(c1ccc(NC(=O)COC(=O)C[C@H]2c3ccccc3CCN2S(=O)(=O)c2cccs2)cc1)C(C)C 3255213 HFERYHONEJLTDO-VWLOTQADSA-N 555.722 4.843 0 40 KJAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nc3cc(S(=O)(=O)Nc4ccccc4OC)ccc3o2)c1C 3274444 YNVGKBLJFBIRDI-UHFFFAOYSA-N 543.623 4.734 0 40 KJAB O=C(COC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)s1 3294860 IYKVSFDMOQKHRJ-QGZVFWFLSA-N 543.972 4.962 0 40 KJAB CCOC(=O)[C@](O)(c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c(C)c1)C(F)(F)F 8691945 HNJFNNBIALTGRO-LJQANCHMSA-N 509.333 4.742 0 40 KJAB CC(C)C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCCC1 8791519 JNEHHCUQQUGKSW-UNCTUWKVSA-N 512.654 4.618 0 40 KJAB biogenic 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4.945 0 40 KJAB COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 60028283 BKGAYBVZEGALKP-RUZDIDTESA-N 544.645 4.950 0 40 KJAB O=S(=O)(c1cc(F)cc(F)c1)c1cnc2ccc(F)cc2c1N1CCCC[C@H]1CCN1CCOCC1 71775285 UOCDISNBYWGUCX-NRFANRHFSA-N 519.589 4.566 0 40 KJAB Cc1cc(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@@]32C)n([C@@H]2CCS(=O)(=O)C2)n1 72325091 DKKONEQPPGSGEQ-RZVZOMPRSA-N 589.843 4.897 0 40 KJAB biogenic CC(=O)c1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)cc1 98003585 HIEZJCKWAMMARJ-UHFFFAOYSA-N 574.684 4.954 0 40 KJAB CCOc1ccccc1[C@H](C(=O)NC(C)(C)CC)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 100356343 AFUPYWXUXFOUMS-MUUNZHRXSA-N 543.624 4.638 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(C)cc1)N(C(=O)CNC(=O)c1cccs1)c1ccc(C(=O)OC)cc1 100414692 URVOJQMUZWDMBQ-VWLOTQADSA-N 535.666 4.652 0 40 KJAB COc1cc([C@@H](C(=O)NC(C)(C)C)N(C(=O)CNC(=O)c2cccs2)c2cc(C)cc(C)c2)cc(OC)c1OC 100415235 KJZKSJIBBVVHLP-SANMLTNESA-N 567.708 4.810 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(C(=O)CCC(=O)Nc1cc(C)on1)c1ccc(OC)c(OC)c1 100415911 RJMLOYCSTVTAAJ-MUUNZHRXSA-N 596.681 4.815 0 40 KJAB CC(C)[C@@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 101606696 GVFOAYGGUFXSIM-CHCBTGSZSA-N 545.426 4.683 0 40 KJAB COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc1 102831132 UVJQZPSMGXPSJC-SKBVVQJISA-N 577.428 4.673 0 40 KJAB CCOc1ccc(-n2c(CSc3nnc(-c4ccc(OC(F)F)cc4)n3N)nc3ccccc3c2=O)cc1 102900552 DOZQLVKZGRLJMR-UHFFFAOYSA-N 536.564 4.650 0 40 KJAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1N1CCCCC1 103012090 OSDSJXMWNRLFAT-UHFFFAOYSA-N 612.774 4.913 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Br)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 103904066 SIJJKAYYDDMWER-BXBHGGAKSA-N 598.338 4.638 0 40 KJAB COc1ccccc1CN1CC(=O)N2CC[C@@H](CC(=O)N(C)CCc3ccccn3)[C@@H](CCCOc3ccccc3C1)C2 107429151 UMQMYJMINJOTLQ-NSOVKSMOSA-N 584.761 4.821 0 40 KJAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)N(c1ccccc1)S(C)(=O)=O 107859536 YBVIFZZPQPXODD-OAHLLOKOSA-N 576.018 4.953 0 40 KJAB COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)n2C)cc1OC 108974845 YFZKGZKYSVIHDO-BMRADRMJSA-N 555.745 4.748 0 40 KJAB COCCCN(C(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1cc(Cl)ccc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 150498578 KLCHMCDLRKDDON-UHFFFAOYSA-N 696.617 4.892 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(I)c1OCc1ccccc1Cl 214648073 ZPNFDROJXJQBMY-FYJGNVAPSA-N 642.899 4.817 0 40 KJAB C[C@H](NS(=O)(=O)c1ccc(OCC(=O)N2c3ccc(Br)cc3C[C@H]2C)cc1)c1ccccc1 222642434 BNPMSJZWQOTYDO-MSOLQXFVSA-N 529.456 4.845 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(I)cc1 222817680 NAYFHMNXRNLANJ-HNNXBMFYSA-N 528.818 4.655 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 223163651 CCKSWEMHLDUQHG-RUZDIDTESA-N 546.064 4.536 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 223288949 XRUSTORYTGVKNH-RUZDIDTESA-N 523.699 4.636 0 40 KJAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 223470310 OCGGOAHMYDNLMQ-AREMUKBSSA-N 586.552 4.549 0 40 KJAB CCOc1ccc(N(CC(=O)NCCOc2cccc3ccccc23)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 223523209 SKBRJGMCEZDNEW-UHFFFAOYSA-N 564.660 4.646 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 223570507 DQGRJIRYSBDLER-SANMLTNESA-N 551.709 4.614 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 224060964 ZVIZVONAMHYOPT-QFIPXVFZSA-N 675.589 4.971 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)(C)C)c2ccccc2)cc1 224137203 VOXZYQABUFUPBW-NRFANRHFSA-N 616.578 4.985 0 40 KJAB CCCSc1nnc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)s1 224179293 MIZVJWZFKFSFQP-UHFFFAOYSA-N 536.701 4.508 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 224362518 HALCBUDUEHUBIW-MRXNPFEDSA-N 548.920 4.602 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224807896 UANHLWCDXIADMC-NDEPHWFRSA-N 614.606 4.997 0 40 KJAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 224852799 OQBUOKUXUJLPBP-UHFFFAOYSA-N 511.456 4.692 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224869370 KGQMBDISVYMXBO-YHYVQYDKSA-N 534.484 4.501 0 40 KJAB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224910495 NWRBCKNQVBYPHC-OZNIXHKMSA-N 562.110 4.680 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)c2cc(Cl)ccc2C)cc1 224985759 MOEHEIXLMHQDLE-UHFFFAOYSA-N 514.047 4.627 0 40 KJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 225047170 RSIMEOKMPGFGBK-QHCPKHFHSA-N 556.128 4.830 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 225227342 FWXRNRLFFWCAGF-NRFANRHFSA-N 566.562 4.637 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 225258790 ULACBCUYCCWMBZ-JOCHJYFZSA-N 580.589 4.946 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 225273201 UGRXAUGDNMNHNN-MUUNZHRXSA-N 570.155 4.971 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 225362182 UUJOBFLRWPJXDT-WJOKGBTCSA-N 592.806 4.781 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 225394327 ALMPDTHRDROBKB-SANMLTNESA-N 602.153 4.886 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 225397976 XWUABRJBYSJWHJ-FCHUYYIVSA-N 663.578 4.827 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225403392 ZHNDJVSDFOIKKB-MUUNZHRXSA-N 611.761 4.550 0 40 KJAB C[C@H]1C[C@H](C)CN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCc3ccccc3)n2)C1 225928444 VSCMTZMTMONYMI-GOTSBHOMSA-N 515.731 4.772 0 40 KJAB COc1cc(CN(C)C(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC 226013729 WRGCHLYZZRHSNB-UHFFFAOYSA-N 567.491 4.869 0 40 KJAB COc1cccc(OC)c1CNC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 226015820 OMJCUVMPMYPBEK-UHFFFAOYSA-N 523.438 4.518 0 40 KJAB O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 226091732 OINICFKRMHCYDR-UHFFFAOYSA-N 552.096 4.690 0 40 KJAB Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CCCN(Cc3cnn(Cc4ccccc4)c3)C2)ccc1Cl 257227203 FOCBMVDCTMXDGY-WJOKGBTCSA-N 550.147 4.719 0 40 KJAB CC(C)CN1C[C@@]2(CN(C(=O)CCC(=O)O)C[C@@H]2c2ccc(F)cc2)N(c2ccc(Cl)cc2)C1=O 257236549 HCQTXTNGDBTFQX-ATIYNZHBSA-N 501.986 4.607 0 40 KJAB Cc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)[C@H]3CCCOC3)cc2)c(OCc2ccc(Br)cc2)c1 257270374 MTYSLRUCMHPOJW-QHCPKHFHSA-N 615.546 4.541 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)[C@H](C)C(=O)NC2CCCCC2)cc1 260764971 DZTTWLOUSIKTGM-XMMPIXPASA-N 683.824 4.791 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 260880129 HVIQFKRQOBJUKQ-DQEYMECFSA-N 565.736 4.839 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 260956939 KQKBTADWCGQWED-DQEYMECFSA-N 595.762 4.848 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 261003403 SBPCZKFBUYBSJV-HKUYNNGSSA-N 542.529 4.708 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 261047151 LLONFCCHNQJJEZ-UXHICEINSA-N 574.541 4.700 0 40 KJAB CCc1cc(Br)ccc1NC(=O)COC(=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl 408648064 XCTHTUQECPNMMF-UHFFFAOYSA-N 523.232 4.664 0 40 KJAB O=C(Oc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408649196 ZKBWKDCERNVQKO-CVZFKYFRSA-N 537.399 4.509 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1 408658959 VIDGISDJNXPVCR-JWQCQUIFSA-N 542.975 4.751 0 40 KJAB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2)CC1=O 408669894 PLKPNQQWFVENRH-INIZCTEOSA-N 507.812 4.762 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408790381 QUQQBONOSCYXIZ-QPWQWLJXSA-N 554.668 4.773 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccc(C(=O)O)cc5)c(Br)c4)c(=O)n32)cc1OCC 408939560 SYDQVLCNFKRKLA-MGQZUQOPSA-N 693.572 4.855 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409019581 UPHFQESLZKOMQP-SZYVSPPHSA-N 770.598 4.706 0 40 KJAB CCCCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc1OC 409041408 VRUWLBFXBDIYER-FOOJEKODSA-N 541.069 4.639 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409073254 GNOIERWJQRGQMA-MDBUFAAASA-N 519.959 4.614 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3/C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 409117457 NQGPXJZGDVUVSR-BHUPMCRJSA-N 658.574 4.832 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1 409159354 TUYYDELDJLQVEL-IWIPYMOSSA-N 531.590 4.696 0 40 KJAB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3cccc(I)c3)c2)o1 409198407 FTTDZTSKEWEWAD-UHFFFAOYSA-N 509.683 4.813 0 40 KJAB CCOc1ccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409385026 GOKZUEYLFFUBKE-YADHBBJMSA-N 546.359 4.866 0 40 KJAB CCCc1cc(C(=O)N2CCC3(CCCCOC[C@@H]4CCCN4C(=O)c4cccc(c4)OC3)CC2)no1 643562046 FFXNLRWPBPAAPV-QHCPKHFHSA-N 509.647 4.734 0 40 KJAB COc1ccc(CN2CCOCCOc3ccccc3Oc3ccc(Cl)cc3NC(=O)C2)cc1Cn1cncn1 643569491 HIXXCQUJGOAVLF-UHFFFAOYSA-N 564.042 4.630 0 40 KJAB CC(C)CCN1CCOCCOc2ccc(C(=O)NCCc3ccccn3)cc2Cc2cccc(c2)C1 643580932 YYDLAPJTFANADU-UHFFFAOYSA-N 501.671 4.902 0 40 KJAB COC(=O)c1c(NC(=O)COc2ccc(Br)cc2Br)sc2c1CCCC2 729796 JTNIMWCLSBOEHE-UHFFFAOYSA-N 503.212 4.956 0 40 KJAB COc1ccc(CCNC(=S)N(CCc2cccc(C)c2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC 891510 PDFQXGCQRFTIBQ-UHFFFAOYSA-N 573.715 4.787 0 40 KJAB CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O 1374182 JMGHCBGAGACAAC-AREMUKBSSA-N 522.609 4.754 0 40 KJAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nc(COc3ccc(C)cc3)n[nH]2)sc2c1CCCC2 2650909 MDYURZBTZFOSML-HNNXBMFYSA-N 500.646 4.928 0 40 KJAB COc1ccc2c(COC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)c4ccccc4)c3)cc(=O)oc2c1 3348427 JQWSQSHMLQUFQU-UHFFFAOYSA-N 513.955 4.637 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 8444598 OIXGUMKMSMSABH-GLRDDDLDSA-N 557.672 4.543 0 40 KJAB CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCN(CC)C3)cc1 8880875 DCUYMYORSAWMQB-UHFFFAOYSA-N 535.732 4.756 0 40 KJAB CCOc1cc(C(=O)Nc2nnc(SCC(=O)Nc3ccccc3)s2)cc(OCC)c1OCC 9364084 YCIHVHOYEBARRD-UHFFFAOYSA-N 502.618 4.717 0 40 KJAB COc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1-c1ccc(Br)cc1 11852220 YTFDTSYGULTUSW-UHFFFAOYSA-N 570.444 4.838 0 40 KJAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OCc3c(F)cccc3Cl)c(OCC)c1)n2C 12546561 NZNVTFSNTPKUQP-UHFFFAOYSA-N 500.958 4.661 0 40 KJAB COc1cc2c(cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N3CCOCC3)c1)oc1ccccc12 13134740 DGTISDSZJLTDIS-UHFFFAOYSA-N 500.960 4.521 0 40 KJAB CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCc1ccc(Cl)cc1 13576877 ZUMKFFWHSFJJAS-BKSPAHHJSA-N 500.064 4.536 0 40 KJAB CCCCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)cc1 14108598 NPHPFNFPKNMQJG-XMMPIXPASA-N 500.393 4.618 0 40 KJAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c(Cl)cccc2Cl)cc1OC 20005430 AHSXABIUBVLUCW-LJQANCHMSA-N 509.411 4.539 0 40 KJAB Cc1cccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2cccc(Cl)c2)Cc2ccco2)c1 27746370 HWBQESMNUJDUIO-UHFFFAOYSA-N 511.003 4.894 0 40 KJAB COc1cc2ccccc2cc1C(=O)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57316709 SCYBNUJSYDMOJP-UHFFFAOYSA-N 511.928 4.895 0 40 KJAB Cc1ccc(CN(c2ccc(OCC(=O)N[C@H](C)c3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1 59928409 JAWIPQJVUUXTQX-LJQANCHMSA-N 531.472 4.980 0 40 KJAB COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(NC(=O)CSc2ncccc2C(=O)O)cc1OC 71418212 BJVAIYSAEBZQNS-UHFFFAOYSA-N 549.605 4.684 0 40 KJAB biogenic,in-vitro COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)c3ccccc3)cc2)cc1 97945571 RHMQNVPROQUPSC-HXUWFJFHSA-N 531.561 4.658 0 40 KJAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2Cc2cc(F)c(F)c(F)c2F)cc1 97952068 SKYIOJGJTFZZME-HXUWFJFHSA-N 547.530 4.791 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 97993341 DUXNFMYKDRZFMV-UHFFFAOYSA-N 533.071 4.990 0 40 KJAB O=C(CSCC(=O)Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1)Nc1ccc2ccccc2c1 98002708 DSBHXRLUDGSMOD-UHFFFAOYSA-N 566.730 4.711 0 40 KJAB COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=S)N2CCc2ccc(Cl)cc2)cc1 98008214 ROCKOGBJDLUWGN-QFIPXVFZSA-N 538.025 4.651 0 40 KJAB COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C(C)C)cc2)c1 100337258 KDKGHKFHRUOZAR-YZNIXAGQSA-N 541.652 4.633 0 40 KJAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2cc(I)cc(I)c2OC)N3)C1 102098497 SEVVJMQKVSOWHR-INIZCTEOSA-N 595.244 4.773 0 40 KJAB COCc1nn2c(ncc3c(=O)n(NC(=O)COc4cccc5ccccc45)ccc32)c1-c1ccc(Cl)cc1 102354417 GUIVNLKNHCYSNI-UHFFFAOYSA-N 539.979 4.813 0 40 KJAB Cc1oc2c(C)c3oc(=O)c(CC(=O)N[C@@H](C(=O)N[C@H](CSCc4ccccc4)C(=O)O)C(C)C)c(C)c3cc2c1C 102496932 DQSFJSGTCYTDJN-XNMGPUDCSA-N 592.714 4.959 0 40 KJAB CCCOC(=O)c1cccc(NC(=O)c2c(C(=O)Nc3ccc(C(=O)OC)cc3)sc3nc(CCC)cc(=O)n23)c1 102892886 DODAUKPMXLHFLA-UHFFFAOYSA-N 576.631 4.567 0 40 KJAB COC(=O)c1ccc([C@H]2C(c3nc4ccccc4s3)=C(c3ccccc3)Nc3c2c(=O)n(C)c(=O)n3C)cc1 102921626 MNWDEDHCFQBDSR-QFIPXVFZSA-N 536.613 4.606 0 40 KJAB Cc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 104085076 QFJDTOXAFMRZEM-UHFFFAOYSA-N 543.114 4.595 0 40 KJAB CCc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 104085088 JHUBWPKAUYLZGI-UHFFFAOYSA-N 557.141 4.849 0 40 KJAB CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1[C@@H](CCSC)NC(=O)c1ccc(OC)cc1 106240667 CCJDQZHHSQNABA-HXUWFJFHSA-N 534.107 4.915 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCC3=CCCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 108449439 QGTBEJFPPSXUCD-DFBJGRDBSA-N 563.695 4.670 0 40 KJAB biogenic CCOC(=O)c1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c(Cl)c1 140341148 WZHOTXUXJSIAHO-UHFFFAOYSA-N 561.056 4.985 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC(=O)Nc4ccc(C)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(O)c(OC)c1 150523317 PZLLTVMFTXYXLC-ZWTGMXIPSA-N 783.641 4.842 0 40 KJAB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 198274243 VCQBZSOWWJOPIR-UHFFFAOYSA-N 655.036 4.784 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 222547703 OSZDKHVLROEYOC-IBGZPJMESA-N 592.943 4.770 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 222623231 KLTWYQAQDAVGPY-QHCPKHFHSA-N 575.662 4.977 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCc4cc(Br)ccc43)cc2)cc1 222703741 UGUYNTKSKGWSFI-UHFFFAOYSA-N 531.428 4.617 0 40 KJAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 222724628 RHMDADFEEHLNRY-MRXNPFEDSA-N 501.402 4.607 0 40 KJAB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 222735236 KVQCZEGMHXNIEL-IBGZPJMESA-N 548.492 4.660 0 40 KJAB C[C@H](NC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1)c1ccc2c(c1)CCCC2 222937817 GCWUGLZUHNJNLP-QHCPKHFHSA-N 517.695 4.563 0 40 KJAB COc1ccc(CN(C(=O)COc2cc(C)c(Br)c(C)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 223081949 AAUGNTCKHJLWCG-GOSISDBHSA-N 505.453 4.785 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 223106493 VOSGBJDVFFZFMH-FGZHOGPDSA-N 555.672 4.716 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](CC)C(=O)NC)S(=O)(=O)c2ccc(F)cc2)cc1 223132539 LGGLCAZNBFEQJG-SANMLTNESA-N 576.090 4.627 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 223179386 DCZMJOMHKSQABD-FCHUYYIVSA-N 580.589 4.944 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 223482206 QAHTXGJSJYXTPE-LJAQVGFWSA-N 567.727 4.765 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)cc1 223724682 LYXLTJHQBGWQAC-DEOSSOPVSA-N 563.720 4.757 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 223814248 BQAYJWIUVSNEDU-HHHXNRCGSA-N 557.663 4.884 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(Br)c(C)c1 223919211 LSTSLESTSBXZNY-MRXNPFEDSA-N 526.269 4.842 0 40 KJAB CCOc1ccc(N(CC(=O)NCCOc2cc(C)cc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 224066655 SJXOBYSJBCZSDU-UHFFFAOYSA-N 517.047 4.746 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 224083201 CHJHBFHBEJCTSQ-MUUNZHRXSA-N 570.155 4.889 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 224465932 NVOUWCLTMGJVLS-QHCPKHFHSA-N 600.565 4.643 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)C)cc1Br 224544103 JCEUNQFTBGJERH-QFIPXVFZSA-N 505.453 4.903 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 224648104 WECVYPUXQFJJNF-FQEVSTJZSA-N 546.064 4.616 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 224652794 OETPSCUYFYJQML-QFIPXVFZSA-N 542.101 4.787 0 40 KJAB COc1ccc(-c2nnc(NC(=O)[C@@H](C)N(c3ccc(Cl)c(C(F)(F)F)c3)S(C)(=O)=O)s2)cc1 225012971 DWVCLMDBCMUUEG-LLVKDONJSA-N 534.969 4.679 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 225205855 RYODRHSEEOKHLR-DEOSSOPVSA-N 557.672 4.838 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 225228720 JUTLEBOYAYHLJI-AREMUKBSSA-N 602.153 4.886 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 225251600 ROFYOIITFZFHOQ-HXUWFJFHSA-N 580.589 4.846 0 40 KJAB Cc1ccccc1CN(C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225264771 JNZPDVYBNPEEJK-JBOQNHBVSA-N 555.719 4.725 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 225325586 QJSOQVHAKWKFBV-SSEXGKCCSA-N 563.764 4.934 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1CC)S(C)(=O)=O 225470890 GKDOGKDCCGCJTB-LJAQVGFWSA-N 567.727 4.711 0 40 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4.723 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)cc2)c(OC)c1 409409608 ITKPNRKRELITGW-UHFFFAOYSA-N 581.672 4.866 0 40 KJAB Cc1ccccc1OCC(=O)N1CCN(C(C)C)CCCN(C(=O)c2ccncc2)c2ccc(F)cc2C1 643566720 IUKBBESLURBFIO-UHFFFAOYSA-N 518.633 4.698 0 40 KJAB CCOC(=O)c1ccc(N(C(=O)c2cnccn2)[C@@H](C(=O)NC2CCCCC2)c2sccc2C)cc1 921608 RCPZZEHDRRAXAE-HSZRJFAPSA-N 506.628 4.860 0 40 KJAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 2648459 WARLOHWOQBOCIS-UHFFFAOYSA-N 518.466 4.922 0 40 KJAB CCOC(=O)c1sc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(C)cc2)SCC3)c(C(=O)OCC)c1C 2719765 YBSJGTUAIZHHEG-UHFFFAOYSA-N 573.718 4.643 0 40 KJAB Cc1cc2oc(=O)cc(COC(=O)c3ccc4c(c3)S(=O)(=O)c3ccccc3C4=O)c2cc1C(C)C 3305747 RBGGNPGHXXHGMY-UHFFFAOYSA-N 502.544 4.959 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 8576300 IAVOVEAIMTVNME-UHFFFAOYSA-N 593.506 4.760 0 40 KJAB Cc1ccc(-c2coc3cc4oc(=O)c(CC(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)O)c(C)c4cc23)cc1 8790013 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KJAB COC(=O)c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)o2)cc1 225443666 YIQMMYBPAHYMDW-FTJBHMTQSA-N 578.672 4.685 0 40 KJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1NS(C)(=O)=O 225485516 STIMBZUGNMKDNZ-JWQCQUIFSA-N 525.700 4.946 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 225608888 HDKKLXLVKOBACT-PMERELPUSA-N 696.222 4.956 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@]3(CCCN(CC(=O)Nc4ccccc4OC(F)F)C3)OC[C@@H]2CC(C)C)cc1 257218792 DEKXPPFGMVASBJ-DWACAAAGSA-N 565.683 4.505 0 40 KJAB O=C(COc1ccccc1F)N1CCC(COc2cccc(Cl)c2)(CC(=O)N2CCCCC2)CC1 257274952 NNJULWOMRMRIQV-UHFFFAOYSA-N 503.014 4.948 0 40 KJAB CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(CC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 260764614 KTYFWDNAVXUDQW-HXUWFJFHSA-N 526.655 4.738 0 40 KJAB CC[C@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)c2ccc(C)cc2O1)c1ccc(OC)c(C)c1 260805299 APZBRFJOBASNMC-WNCULLNHSA-N 524.639 4.544 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC[C@@H](C)c3ccccc3)Oc3ccc(C(C)(C)C)cc32)cc1 260844221 HUKBFRFLEZEXJA-NFQMXDRXSA-N 522.667 4.869 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 260918493 GLJOPENKGOHRIR-IDISGSTGSA-N 615.699 4.653 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 260923960 USXCVNGZQQRZLS-VXKWHMMOSA-N 586.552 4.976 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 261031548 XHLWLVFFPJCDFQ-JTSKRJEESA-N 542.529 4.790 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 261109032 XNSNOUZOHDNNTR-RTWAWAEBSA-N 566.562 4.636 0 40 KJAB O=C(NCCc1ccccc1)C(=O)Nn1c(C(=O)Nc2ccc(Br)cc2)cc2cc(Cl)ccc21 408573514 BQQZCBDLNKBACE-UHFFFAOYSA-N 539.817 4.739 0 40 KJAB COc1ccc(CNC(=O)C(=O)Nn2c(C(=O)Nc3cc(C)cc(C)c3)cc3cc(Br)ccc32)cc1 408576381 GVFCSEFSZFDLLQ-UHFFFAOYSA-N 549.425 4.668 0 40 KJAB Cc1cccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NCCc2ccccc2)c1C 408576792 MYOHCGXMVSNQDQ-UHFFFAOYSA-N 533.426 4.702 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)c2ccc(C)c(C)c2)cc1 408606691 LNWQDBZEOFEIPO-UHFFFAOYSA-N 542.661 4.771 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(Br)cc1 408641852 DEAMKDMSAGCTFA-CALCHBBNSA-N 536.209 4.947 0 40 KJAB COc1ccc(NC(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408676845 DKUWXLWOJHAVSS-UDPYREPESA-N 558.590 4.887 0 40 KJAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OCc4ccccc4)c(OCC)c3)c2=O)=N[C@H]1c1ccc(OC)cc1 408731968 RHINPGBTULRXKT-DDBFQISPSA-N 584.694 4.894 0 40 KJAB O=C(O)COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1I 408875170 DNWIIWSMOPWNRO-PXNMLYILSA-N 574.190 4.754 0 40 KJAB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc(Br)c1OC 408919985 GBGIYUBVVFMBGS-QCHPHUCNSA-N 603.560 4.688 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C\c3ccccc3OC(C)C)c2=O)=N1 408922482 FAPUFKNPVUFEEG-QKSFETHESA-N 515.660 4.723 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409091003 SDPIHMRJCNTSIE-RGVLZGJSSA-N 642.443 4.834 0 40 KJAB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(Cl)c(Br)c3)n2C)c1 409126057 DOAFTAYDOQOHKB-ZDUSSCGKSA-N 522.856 4.761 0 40 KJAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)Nc1ccc(Cl)c(C(F)(F)F)c1 409134079 RSZGBDPJNKIKRI-LLVKDONJSA-N 519.701 4.656 0 40 KJAB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(F)c(Cl)c1 409172074 GUWDOPBPIDFZPK-UHFFFAOYSA-N 544.773 4.918 0 40 KJAB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OC)c(I)c3)C2=O)cc1Cl 409275268 ZWIVHKFRTFOSCM-IUXPMGMMSA-N 558.781 4.637 0 40 KJAB COc1ccc(CNC(=O)CN2CCCCCCOc3ccccc3Oc3ncccc3C2)cc1OC 643575935 SQNJTUSBRQMSJT-UHFFFAOYSA-N 505.615 4.962 0 40 KJAB O=C1CN(Cc2ccccc2)Cc2cc(CCC(=O)N3CCN(Cc4ccc(F)cc4)CC3)ccc2OCCCCCN1 643576338 XNJKVFMHUILHAV-UHFFFAOYSA-N 586.752 4.784 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)[C@H]2COc3ccccc3O2)cc1 888227 FJIBBUFLHYVSIP-IZLXSDGUSA-N 500.595 4.664 0 40 KJAB COc1ccc(NC(=O)CSc2nc(-c3ccncc3)nn2[C@H](C)C(=O)Nc2c(C)cccc2C)cc1 1225099 CILNNJMWHYMZDG-LJQANCHMSA-N 516.627 4.896 0 40 KJAB COc1ccc(NC(=O)[C@@H]([C@H]2CC=CCC2)N(Cc2cccnc2)C(=O)CSc2nc(C)cc(C)n2)cc1 1407849 FYBZAIDLOVUNHN-WNCULLNHSA-N 531.682 4.982 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCc4ccccc4C3)c2)cc1Br 3453339 RQVJVSGZSIMIIB-UHFFFAOYSA-N 515.429 4.847 0 40 KJAB CN(C)c1ccc(NC(=O)[C@H](c2cccs2)N(Cc2ccc(F)cc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 3773519 WWSSCFNIGWKJNW-NDEPHWFRSA-N 570.646 4.891 0 40 KJAB O=C(Nc1ccc2c(c1)OCO2)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 8712994 WBGLAWWXZXNNHC-GDLZYMKVSA-N 537.551 4.708 0 40 KJAB CC1CCN(CCCNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)CC1 10540686 TURBKENYOGYPAO-UHFFFAOYSA-N 505.684 4.934 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1OC 13032658 SARLTWCEUWWBAJ-RUZDIDTESA-N 521.643 4.589 0 40 KJAB CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC 13768949 XITPCMNFQGWLBM-QKDODKLFSA-N 502.567 4.934 0 40 KJAB CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)sc2c1CC[C@H](C)C2 17297522 JRKJWPDRIXYPKN-RCCFBDPRSA-N 518.701 4.969 0 40 KJAB O=C(Nc1ccc(F)c(F)c1F)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 19931218 QOFOQGHPSWLSLZ-KRWDZBQOSA-N 503.329 4.939 0 40 KJAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl 20048840 UINNFEFPBPBBEE-UHFFFAOYSA-N 518.975 4.505 0 40 KJAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(Cl)(Cl)Cl 70673071 KUHHFYZRWGDWMX-UCKQOEPVSA-N 527.707 4.671 0 40 KJAB CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCC(=O)O)C(=O)N32)cc1 70699734 MGKVVXLIPLCQHL-LSYYVWMOSA-N 536.588 4.589 0 40 KJAB biogenic C[C@H](NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 85867965 XGCYPRYKAOGFEQ-VEYDHLCMSA-N 818.921 4.809 0 40 KJAB biogenic O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCc1c[nH]c2ccccc12 85876227 BQHSBOXLLGZGHW-UHFFFAOYSA-N 501.590 4.805 0 40 KJAB biogenic CCCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 97945671 YXBBOUOSPIKXPO-SFHVURJKSA-N 534.107 4.641 0 40 KJAB COc1ccc(OC)c([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)c1 100363761 RQCVNTXJNRHEJB-NDEPHWFRSA-N 547.681 4.729 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 100375319 MWPAIHAWGQIBMD-MHZLTWQESA-N 552.635 4.844 0 40 KJAB O=C(NCC(=O)N(c1ccccc1C(F)(F)F)[C@H](C(=O)NCc1ccco1)c1ccccc1)c1ccco1 100413354 MDOPNIWUPDOQSN-DEOSSOPVSA-N 525.483 4.712 0 40 KJAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(Br)cc2)n2c(s/c(=C/c3ccoc3)c2=O)=N1 101071002 FZUMCLMHZQNJCF-RQLGBQGVSA-N 534.435 4.538 0 40 KJAB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c(Cl)c1)[C@H]1CCCN1[C@]21c2ccccc2-n2c1nc1ccccc1c2=O 101505230 LRUVXUQSSSZDSJ-CDLOMYRSSA-N 543.410 4.533 0 40 KJAB CCOC(=O)N1CCc2c(sc(NC(=O)CN3CCCC[C@H]3C)c2C(=O)Nc2cc(Cl)ccc2OC)C1 102091239 WGTBSFQJZBLHJD-MRXNPFEDSA-N 549.093 4.990 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2[C@@H](C)COC)c1 103018874 XSAWHVAYQSPPLE-SFHVURJKSA-N 566.149 4.876 0 40 KJAB CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 103059845 PMXRVTTYDWYOSF-ZMZPIMSZSA-N 525.813 4.659 0 40 KJAB COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)COC(=O)c2c(NC(C)=O)sc(C)c2C)cc1OC 103126326 KLWSBILYCFMQLB-LJQANCHMSA-N 541.651 4.937 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 140114105 KKONGKSPYGHCLO-UHFFFAOYSA-N 534.059 4.568 0 40 KJAB CCN(CC)CCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(-c2cccc(OC)c2)[nH]c2ccccc12 199428678 IQWFWISPPGJTQY-PMERELPUSA-N 510.638 4.847 0 40 KJAB CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1OC 214510076 IENBFDANHZFYBK-PCLIKHOPSA-N 561.616 4.786 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3c4ccc(Br)cc4C[C@@H]3C)CC2)cc1C 222578227 QKZRKACNROVUQL-KRWDZBQOSA-N 521.477 4.535 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 222639289 CYNANIJHIFCDPI-FQEVSTJZSA-N 562.519 4.969 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCNc3ccnc4cc(Cl)ccc34)cc2)cc1 222675628 RISJJABURDNIFO-UHFFFAOYSA-N 539.057 4.995 0 40 KJAB COc1ccccc1CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 222713361 BGXQVWSGQPBERQ-HSZRJFAPSA-N 605.688 4.748 0 40 KJAB CCCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 222800532 KJAMXGQHGPYXTQ-JOCHJYFZSA-N 548.149 4.781 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 222818478 BNLNDDURZCZLOT-FQEVSTJZSA-N 552.137 4.617 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 223005270 LVRJGLMWIWXXHF-FQEVSTJZSA-N 588.524 4.561 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 223019067 SFGWCRLZCVLFIN-VWLOTQADSA-N 572.525 4.506 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 223219795 QNONPEINTTXSNW-XMMPIXPASA-N 537.673 4.542 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 223276175 WINYQTQNKIFUQN-HHHXNRCGSA-N 595.762 4.930 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223278825 LBWSZKBWICNWBW-IBGZPJMESA-N 559.626 4.724 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223336562 VARQQYFWVDDWGJ-NEKDWFFYSA-N 600.181 4.978 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 223417002 HFZQNQDJHCZLLG-NEKDWFFYSA-N 570.155 4.824 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 223434952 CASDYBXGWCDEEI-WJOKGBTCSA-N 621.706 4.945 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 223435504 FERMJGREWOOJTP-XMMPIXPASA-N 611.761 4.550 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223627590 WGMLGDMCSDALPE-SANMLTNESA-N 576.546 4.699 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)cc1OC 223762907 QEWOWSAFWADNOB-DEOSSOPVSA-N 593.746 4.684 0 40 KJAB Cc1cccc(CN(C(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1 223806350 HXPRXGHVJWHMCJ-NRFANRHFSA-N 534.122 4.671 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 223934135 IKACFEIWNVMFJB-LJQANCHMSA-N 554.540 4.870 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 223968109 AXUQTOUOSSBVBV-MUUNZHRXSA-N 611.761 4.631 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 224031071 MTXUGKQFGXDYTK-QFIPXVFZSA-N 567.683 4.506 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 224080317 JRXMAMWDNVQQGX-LJAQVGFWSA-N 549.737 4.544 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224133844 DCFFPRDJJXCRGV-JOCHJYFZSA-N 540.513 4.626 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 224148732 KUXYXGAEMHMKCQ-QHCPKHFHSA-N 539.673 4.519 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 224341984 VMXBFYWPKMODLG-XMMPIXPASA-N 534.122 4.589 0 40 KJAB CCc1ccc(OCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NCC(C)C)c(Br)c1 224473710 CWKXHONSOUBGDI-SFHVURJKSA-N 505.453 4.588 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 224639061 IFZXDNKUVUBJSD-RUZDIDTESA-N 535.710 4.751 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 224750302 KBIMNAGUOVBLRR-VWLOTQADSA-N 565.736 4.841 0 40 KJAB CCc1ccc(OCCNC(=O)CCCN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1 224792370 SMKGUHWKYXOHTO-UHFFFAOYSA-N 506.974 4.663 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224797759 WSZMSQSPMVVMPD-FQEVSTJZSA-N 546.064 4.618 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 224941468 NBTAPMINQAZTKQ-IBGZPJMESA-N 542.529 4.792 0 40 KJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 225046569 ROHYINKQEWENHD-SANMLTNESA-N 549.737 4.793 0 40 KJAB COc1cccc(CN(C(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 225122798 XIXDQFFBTIVFKK-YTTGMZPUSA-N 621.800 4.949 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 225135572 FHRLYLGQRMVQIH-MHZLTWQESA-N 535.710 4.832 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3cccnc3)c2C)cc1 225207435 QBULQUWKHCCBHJ-VSGBNLITSA-N 526.666 4.705 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 225385275 SNHLZDVTBXVOOI-FCHUYYIVSA-N 572.127 4.876 0 40 KJAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3cccnc3)c2C)ccc1NS(C)(=O)=O 225447073 NHJYWLIDIKXAGJ-RRPNLBNLSA-N 546.722 4.800 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 225499652 CVWFJANGGSCSEE-QFIPXVFZSA-N 572.127 4.794 0 40 KJAB COc1ccc(CN(C(=O)COc2ccc3ccccc3c2Br)[C@@H](C)C(=O)NC(C)C)cc1 225677265 QSFDQTLQWODQCV-SFHVURJKSA-N 513.432 4.932 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 225725177 FGQRXUALCRLWBS-IBGZPJMESA-N 586.980 4.838 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 225752307 KNSANIFEEWUVHV-LJAQVGFWSA-N 563.764 4.790 0 40 KJAB Cc1ccc(CNC(=S)Nc2nc(N3CCN(c4ccccc4)CC3)cc(N3C[C@@H](C)C[C@H](C)C3)n2)o1 225915645 LORVZINRTVOIBQ-SFTDATJTSA-N 519.719 4.674 0 40 KJAB C[C@H]1C[C@@H](C)CN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCc3ccc4c(c3)OCCO4)n2)C1 226015236 MBQLXHRXPGEYRV-ZRZAMGCNSA-N 573.767 4.543 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)c1 260762079 DZBJZUPEXIMFIC-OAQYLSRUSA-N 534.122 4.589 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)c2ccc(F)cc2)cc1OC 260808464 SQYVNGYYPJYPRJ-HSZRJFAPSA-N 611.736 4.823 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC)c2ccccc2)cc1 260860726 SCAPVEFTDBZDPR-LJQANCHMSA-N 578.518 4.751 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 260874942 BJSQGOGTDUEHFM-UNMCSNQZSA-N 536.138 4.835 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 260879659 NHEREBSBBAFTFV-HHHXNRCGSA-N 600.579 4.688 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c1ccccc1 260929496 WHQNVMDWACMRFT-BJKOFHAPSA-N 551.709 4.613 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)c2ccc(Cl)cc2)cc1 260938984 ZNMPQBLIXXRKNA-HSZRJFAPSA-N 586.154 4.776 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 260967219 LWDARIJKHJKDRH-KOSHJBKYSA-N 558.091 4.887 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC)S(C)(=O)=O 261006455 GAKQYAUTEMUGST-QDPGVEIFSA-N 583.726 4.545 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 261030077 XDNDRNZIHRRERQ-MUUNZHRXSA-N 598.165 4.814 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 261040218 YLAJWXATGFNWLY-YKSBVNFPSA-N 552.137 4.617 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 261053367 MIUAMFLVXNCJIY-DFHRPNOPSA-N 616.180 4.678 0 40 KJAB O=C(Cn1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 408550059 DDCREQHDPWHGBQ-LPYMAVHISA-N 523.014 4.592 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 408605551 JGYMBPAGWTYRKR-UHFFFAOYSA-N 617.724 4.909 0 40 KJAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)N1CCN(c2cccc(Cl)c2)CC1 408635821 GFVNGOIYMHEIDS-UHFFFAOYSA-N 540.085 4.518 0 40 KJAB CC1=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@H]4CC(=O)N(c5ccc(C)c(Cl)c5)C4)cc3C)C(=O)[C@@H]2C1 408638742 DEZJMZHTCKCFDE-YUXAGFNASA-N 506.986 4.761 0 40 KJAB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)c1 408642485 DXSKOIHWERRAES-QFLSHGSDSA-N 587.028 4.839 0 40 KJAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@H]4CC(=O)N(c5cccc(Cl)c5Cl)C4)cc3)C(=O)[C@H]21 408673698 XPFZHBYJEULXGK-CAAIWKOSSA-N 513.377 4.654 0 40 KJAB Cc1c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)ccc(Br)c1Cl 408690505 VOURCFAFBWCWQH-MFRYECHYSA-N 543.801 4.518 0 40 KJAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cc2F)C1 408701395 XHIPOQQYBICEAG-INIZCTEOSA-N 513.429 4.760 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1 408857483 GZQXXUNQWIZHOT-QTTRZTASSA-N 633.520 4.838 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OCC)c3)c(=O)n2[C@H]1c1cccc2ccccc12 408877700 TXBSNMZMUVYQEO-GJFKPFFXSA-N 640.499 4.660 0 40 KJAB COc1cc(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)ccc1OCc1ccc(F)c(Cl)c1 408890810 ZNSRTPKGDCXVNC-ZBKNUEDVSA-N 546.805 4.995 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1OC 408922422 AQLRLXMIQMYUPF-UHFFFAOYSA-N 517.412 4.612 0 40 KJAB Cc1ccc(NC(=O)COc2ccc(/C=C3/NC(=O)N(Cc4ccc(Br)cc4)C3=O)cc2)cc1 408928814 KPNZRINVXIIOLA-OEAKJJBVSA-N 520.383 4.868 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408996891 FJIJVOJJWJRCLO-LMSRTUJASA-N 574.680 4.787 0 40 KJAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(C(=O)O)c3)c(OC)c2)C1=O 409012278 QANAMTUKVZAACC-MDBUFAAASA-N 519.959 4.614 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 409019750 XSLWRRNOKXUVEJ-KXWWWRATSA-N 627.122 4.588 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(OCC(=O)OCC)c(OCC)c3)c2=O)=N1 409038936 FZILBPHCZYIZSX-YIECNSLDSA-N 687.609 4.690 0 40 KJAB CC[C@H](C)Oc1c(I)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1OC 409102698 SZKLJQNCKPGGLV-SGPNVBEDSA-N 524.330 4.709 0 40 KJAB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)c(OCC)c3)C2=O)ccc1Cl 409156382 FKUUNSSVMRUMLR-RGVLZGJSSA-N 518.975 4.599 0 40 KJAB COC(=O)[C@@H]1NC(c2cccc(C(F)(F)F)c2)(c2cccc(C(F)(F)F)c2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 409193336 JJWCDSCXHQRESN-BHIFYINESA-N 562.466 4.918 0 40 KJAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc(C(=O)O)c3)c(OC)c2)C1=O 409240816 IEKGYDHTOHIKMV-YDZHTSKRSA-N 563.994 4.720 0 40 KJAB CCn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl 409348906 PWSWRWJXUPUOFT-FQEVSTJZSA-N 530.050 4.898 0 40 KJAB COc1cccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccc(Cl)c(Cl)c3)C(C)C)n2C)c1 409359458 OHQOWUHXUGQRKG-FQEVSTJZSA-N 522.458 4.988 0 40 KJAB O=C(CN1CCCCCOc2ccccc2Oc2ncccc2C1)NCc1cccc(N2CCCC2=O)c1 643575906 RVSRWXSTHPXGJJ-UHFFFAOYSA-N 514.626 4.682 0 40 KJAB CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 901551 FQRSEEKTMKHDSF-SANMLTNESA-N 501.612 4.529 0 40 KJAB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(CCc4ccccc4)C3=O)cc2)cc1 960006 ZGRCMZIVBVOCRJ-UHFFFAOYSA-N 531.996 4.978 0 40 KJAB COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccccc2)c2ccccc2F)cc1 1372501 QTQRCDZLOUNIRX-LJAQVGFWSA-N 523.568 4.670 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@@H](C)[C@](C)(O)[C@@H]2OC(=O)c1ccccc1 5665358 UFCGDBKFOKKVAC-APAVAEOTSA-N 536.577 4.958 0 40 KJAB CCc1ccc([C@H]2CN3C(=O)CN(Cc4ccc(OC)c(OC)c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 12873785 RYVPPLAEPUBCPZ-QNLPTKCRSA-N 523.633 4.979 0 40 KJAB biogenic COC(=O)c1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCC3 13098589 UEROCZVCKMRGNP-UHFFFAOYSA-N 505.621 4.762 0 40 KJAB CCOc1ccc([C@@H](c2nnnn2Cc2ccco2)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 13505072 XDXLCVWCPXNPOF-DEOSSOPVSA-N 512.536 4.644 0 40 KJAB C[C@@H](OC(=O)CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)C(=O)Nc1ccc(N2CCOCC2)cc1 13523980 OOYXXKVORDZVLX-KPYUVFPJSA-N 505.453 4.517 0 40 KJAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1ccc(Br)cc1 20019754 RTWCJINSYXTDMC-GOSISDBHSA-N 517.445 4.526 0 40 KJAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)N[C@@H](C)c1cccc(Br)c1 20022466 OKKRDGNTEMXMDM-INIZCTEOSA-N 521.408 4.954 0 40 KJAB COC(=O)c1c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)sc2c1CCN(C)C2 20242032 SAFYFYRALJLBBT-SANMLTNESA-N 521.664 4.549 0 40 KJAB CCOC(=O)c1cc(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)ccc1Cl 22429263 AYGXAGCRBVFKKP-UHFFFAOYSA-N 517.003 4.668 0 40 KJAB COc1ccc([C@@H](C)NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 59835572 HWXZHGBIUGFSKW-LJQANCHMSA-N 531.472 4.834 0 40 KJAB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 59886457 HXHJGTZNEPMOSS-UHFFFAOYSA-N 557.600 4.600 0 40 KJAB CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc1-2 72176004 WGZYFFJOGZFXBF-UHFFFAOYSA-N 622.774 4.929 0 40 KJAB COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)C[C@@H]4c2cc3ccccc3n(C)c2=O)cc1 85875260 HXPKETQLECSJAJ-LJQANCHMSA-N 509.514 4.770 0 40 KJAB biogenic O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1 97984669 JXXCDFPFELFRRV-UHFFFAOYSA-N 580.652 4.780 0 40 KJAB Cc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccc3c(c2)OCO3)C(=O)c2snc(C(=O)NC3CCCCC3)c2N)o1 100293783 OYJBQZBBTKYDIA-RUZDIDTESA-N 595.722 4.716 0 40 KJAB CC(C)C(=O)Nc1cccc(NC(=O)c2cc(I)ccc2I)c1 100297488 ZVUJLTMCMLHNJR-UHFFFAOYSA-N 534.135 4.743 0 40 KJAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)CC2=O)cc1 102097715 IGUPBTHOKLVSPX-FQEVSTJZSA-N 536.378 4.756 0 40 KJAB CCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)NCc4ccc(OC)cc4)C(=O)N23)cc1 102744996 RLXROIGLJZANOR-SANMLTNESA-N 585.686 4.521 0 40 KJAB CCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@H](C)c1ccccc1)c1ccccc1 103103593 ZEXQUIQAMQDVOA-HSZRJFAPSA-N 591.759 4.721 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)cc2)n2c(s/c(=C/c3cc(Br)c(N(C)C)o3)c2=O)=N1 103903881 UGCIPGCMRJBJHR-WLGHQHAYSA-N 577.504 4.604 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)c2cc(Cl)ccc2OC)cc1OC 106378857 ORDRIIKEFHMUPF-UHFFFAOYSA-N 539.437 4.531 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4ccccc4F)S(=O)(=O)N(C)C)cc3)cc2)cc1 113516087 BFILDIWWXFVVFV-UHFFFAOYSA-N 612.705 4.700 0 40 KJAB O=c1/c(=C/c2ccc(O)c(Br)c2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 146876217 QZJUUVZDASMHTQ-LWUPDDLQSA-N 515.432 4.787 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)O)c4C)o3)c(=O)n2[C@@H]1c1ccccc1Cl 147922903 KUMLNZSIYADDCV-AQIZGWBQSA-N 563.031 4.718 0 40 KJAB O=C1[C@H]2N=NN(CC(=O)N3N=C(c4ccc(Br)cc4)C[C@@H]3c3ccccc3)[C@H]2C(=O)N1c1c(F)c(F)c(F)c(F)c1F 150387067 HOIKECWWQGNFEP-PWBHZWRTSA-N 647.358 4.816 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(COc4ccc(I)cc4)c3)c(=O)n2[C@@H]1c1ccccc1 150630262 SBQNTUDLZPNWNN-XQNWCSQWSA-N 666.537 4.991 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC 164763272 HELIKNHQCRJQED-JLKMOJGBSA-N 602.684 4.924 0 40 KJAB CC(=O)c1ccc(N2CCN(C(=O)CSC3=N/C(=C/c4ccccc4F)C(=O)N3c3ccccc3)CC2)cc1 215753648 CUKZNTWYRMRZFY-ZXVVBBHZSA-N 542.636 4.854 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 222546592 GRYCGVFNUQMPRQ-QHCPKHFHSA-N 542.529 4.872 0 40 KJAB COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(Cl)cc2)C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1OC 222813214 UIZXHAVDDUWRNV-QFIPXVFZSA-N 628.191 4.507 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 222847599 FDIGQXLBIVNMHW-LJQANCHMSA-N 536.138 4.736 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 222854014 IAILLVIVBHLYDH-HHHXNRCGSA-N 636.559 4.906 0 40 KJAB COc1ccc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1S(=O)(=O)N1CCCCC1 222916452 AOCOAGZQPUMWAS-UHFFFAOYSA-N 590.123 4.527 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223019636 XGEDEFOORODHNG-RUZDIDTESA-N 625.788 4.940 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223121665 YKQPTBFWDOSXDF-DEOSSOPVSA-N 581.735 4.541 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 223176841 OBJYKJCAPXIBPM-QFIPXVFZSA-N 536.138 4.837 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 223302142 BARRSQWERFOWMV-INIZCTEOSA-N 578.946 4.755 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223331832 ZVMCLEGQWLPHIL-XMMPIXPASA-N 548.492 4.742 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 223354631 CJHBHTJJSCONOA-XMMPIXPASA-N 552.137 4.617 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 223401813 XSEBLCFMMBCPGF-NDEPHWFRSA-N 570.155 4.971 0 40 KJAB COc1cccc(N(CC(=O)NCCOc2ccc3ccccc3c2)S(=O)(=O)c2ccc(C)cc2)c1 223588803 LPBQCFYRIGXIIP-UHFFFAOYSA-N 504.608 4.547 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223636912 LPFAHHRJZSFLAZ-YICISRLPSA-N 550.099 4.536 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 223797359 ALTZUMVSUPQJEL-QHCPKHFHSA-N 551.684 4.806 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 223798204 DUFPTYIBFHBYGI-DEOSSOPVSA-N 563.720 4.675 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223994489 HJPYRGLRNFJZJR-AREMUKBSSA-N 575.653 4.638 0 40 KJAB CN(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1 224187866 PQTUJNUPLHDQGB-SANMLTNESA-N 556.128 4.515 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 224216128 DOCSONOPLMECJA-MHZLTWQESA-N 586.154 4.589 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 224271974 SUSSFFAEAQBGKL-MHZLTWQESA-N 661.606 4.920 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 224363337 KKKTYMPBBYCOHF-AREMUKBSSA-N 569.699 4.672 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 224533933 GDWXLHYYOAFHRO-GDLZYMKVSA-N 581.735 4.541 0 40 KJAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 224602490 ACHMTZPMIUTQED-GDLZYMKVSA-N 549.737 4.793 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 224660864 CWRIBPOLSQLVRL-NRFANRHFSA-N 573.662 4.501 0 40 KJAB O=C(NCc1cccc(CN2CCCCC2)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 224666488 GAWRGMYDTWUJDO-UHFFFAOYSA-N 504.096 4.821 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 224684000 HJPPANMTMNWJTI-INIZCTEOSA-N 578.028 4.740 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 224843156 HSAYQQPKEAAOLN-QFIPXVFZSA-N 531.694 4.547 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 224912468 JIEGTSBVIMDMQN-MHZLTWQESA-N 586.154 4.588 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 224914768 IAEBKOAQRANMNW-NDEPHWFRSA-N 569.699 4.609 0 40 KJAB 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CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 261015123 VBJAQXWNAMXKJD-MJGOQNOKSA-N 542.529 4.708 0 40 KJAB CCOC(=O)c1sc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c(C(=O)OCC)c1C 408545678 ZSDSQKWKLWGRCU-UHFFFAOYSA-N 551.646 4.840 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 408590714 KNSZJPSVXBTGJV-UHFFFAOYSA-N 568.139 4.683 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 408596898 UAQCKICHUOIRMH-OMCISZLKSA-N 544.185 4.711 0 40 KJAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCC1 408608648 OJDKIFFQGUGRFK-UHFFFAOYSA-N 512.031 4.800 0 40 KJAB Cc1ccc(N(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 408629376 AAZGNCTXXYUKPT-UHFFFAOYSA-N 535.563 4.697 0 40 KJAB O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1ccc(Br)cc1 408648918 CWMYIXFNFQRKHT-SCAKWATOSA-N 542.216 4.687 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 408694379 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CCOC(=O)c1sc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)c(C(=O)OC)c1C 649060 IVBLNUIXZYMRNI-UHFFFAOYSA-N 514.510 4.919 0 40 KJAB Cc1ccc(N(C(=O)Cn2nnc(-c3cccs3)n2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c(C)c1 887429 CQSASHLUFLOGQQ-HHHXNRCGSA-N 544.681 4.947 0 40 KJAB COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1OC 901458 PTWPGIRPHFEYEN-HHHXNRCGSA-N 533.654 4.733 0 40 KJAB COc1ccc2[nH]c(=O)c(CN(CCc3cccc(C)c3)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1 925495 SULABZBJKIWBDS-UHFFFAOYSA-N 534.663 4.592 0 40 KJAB COc1ccc(NC(=O)CSc2nc(-c3ccncc3)nn2CC(=O)Nc2cccc(Cl)c2C)cc1 1225074 OSRQMRBYHXFXGK-UHFFFAOYSA-N 523.018 4.680 0 40 KJAB Cc1cc2nc(-c3ccc(SCC(=O)Nc4ccc(S(=O)(=O)N5CCCC5)cc4)nc3)[nH]c2cc1C 1329727 KGDXCOAJMPDXEH-UHFFFAOYSA-N 521.668 4.757 0 40 KJAB aggregator CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)C(=S)NCCCN(CC)CC)cc2c1 6193188 SQLITONEICJMFB-UHFFFAOYSA-N 510.704 4.544 0 40 KJAB O=C(Nc1nc(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cs1)NC1CCCC1 17178347 KASKCOFJXAINRM-UHFFFAOYSA-N 503.672 4.684 0 40 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CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1 409185400 YIMDYXGDYGQZNN-UHFFFAOYSA-N 510.656 4.736 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C1=O)Nc1ccccc1N1CCOCC1 409207034 ZEIFOVYXIKMRNV-HAHDFKILSA-N 507.543 4.597 0 40 KJAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OCC(=O)Nc3ccc(C)cc3)cc2Br)C1=O 409234710 XNAFVKDEYDQDGG-ZMOGYAJESA-N 621.488 4.877 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)c(Br)cc1O 409269313 BBHLZOSUEPXERR-FMQZQXMHSA-N 513.316 4.507 0 40 KJAB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCC(C)CC5)o4)c(=O)n32)cc1 409269753 DIIXMYLYUVMGOX-VFHYMGCCSA-N 551.734 4.738 0 40 KJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3N(C)S(=O)(=O)c3ccccc3)cc2)c1 409346707 OFBLNYBJRVNRIC-UHFFFAOYSA-N 535.647 4.873 0 40 KJAB CCc1ccc(NC(SCC(=O)Nc2ccc(Br)cc2Cl)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 409376711 AFQGIVNSCYIQJC-UHFFFAOYSA-N 565.877 4.711 0 40 KJAB COCCN(Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@H](O)Cn1c2ccccc2c2ccccc21 585271103 QSWAMKOGRGFZDI-SANMLTNESA-N 529.681 4.695 0 40 KJAB Cc1cnn(CC(=O)N(C)CCC[C@H]2C(=O)N(C)CCCCC3(CCN(C(=O)OC(C)(C)C)CC3)COc3ccccc3C(=O)N2C)c1 643560751 GSUZKGDXCGHJIY-LJAQVGFWSA-N 666.864 4.609 0 40 KJAB CC(C)CCN1CC(=O)NCCCCCOc2cccc(C(=O)NCCc3ccccc3Cl)c2C1 643570698 IOVQPZXWBFNAPM-UHFFFAOYSA-N 500.083 4.840 0 40 KJAB CCOC(=O)c1oc2cc(OC(=O)c3ccccc3OC)ccc2c(=O)c1-c1ccc(OC)c(OC)c1 1323047 IOPHXGAXOUHUCX-UHFFFAOYSA-N 504.491 4.882 0 40 KJAB biogenic CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)c1 3296357 KGEKIQMZOHYVDS-UHFFFAOYSA-N 538.956 4.952 0 40 KJAB CC[C@@H](C)n1c(SCc2cc(=O)oc3cc(C)ccc23)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 3299991 ZRDVCJHYGMFRDM-LJQANCHMSA-N 554.694 4.644 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1 3768450 VVCKOSMGDDJGCV-HDFSHUSISA-N 533.653 4.801 0 40 KJAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4cccc(C)c4C)CC3)cc2c1 6133909 IECUHDKEWZXJDP-LJAQVGFWSA-N 541.700 4.947 0 40 KJAB O=C1C(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)Nc2ccc3c(c2)OCO3)c2c[nH]c3ccccc23)c2ccccc21 8712553 QTNIWKNBAFJTMB-WJOKGBTCSA-N 604.594 4.974 0 40 KJAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2cc3nn(-c4ccc(C)cc4)nc3cc2C)c(F)c1F 8833257 YIBGRFFWRBLMNV-UHFFFAOYSA-N 503.481 4.729 0 40 KJAB Cc1ccccc1OCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1 8871718 XOTIXELSGAMMAQ-JRYDFKMLSA-N 500.595 4.519 0 40 KJAB COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CC(=O)NCCN2CCCC2)c1 9225224 BAQNKGHZHFNVCU-PMERELPUSA-N 508.622 4.601 0 40 KJAB COc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)OC2(CCCC2)OC3=O)cc1 9312195 FYDCOKDZCCELBK-WXFUMESZSA-N 516.594 4.524 0 40 KJAB CSc1nsc(SC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 9968843 IELFTDAUVWZOGE-FQEVSTJZSA-N 505.712 4.741 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(C(=O)CNC(=O)c1cccs1)c1ccc(F)cc1 12488614 DSPWKUNKPUNGEZ-XMMPIXPASA-N 511.619 4.705 0 40 KJAB CCC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccccc1OC)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 13500864 LTCLCNSLGPTPEN-HSZRJFAPSA-N 532.645 4.941 0 40 KJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 13677001 GCOGYBJSSLPIJP-MRXNPFEDSA-N 526.486 4.702 0 40 KJAB COc1cc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2ccccc2)cc(OC)c1OC 18066890 ORNQRVQPUKWWID-NSVAZKTRSA-N 510.546 4.917 0 40 KJAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 20017301 RSVMVWBELYWNEQ-UHFFFAOYSA-N 508.921 4.936 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)/C=C/c2ccccc2Cl)cc1 27061843 AUPHZURBWCEUDJ-KROBSHITSA-N 517.969 4.913 0 40 KJAB COc1ccc(Cn2cnc3c4cc(F)ccc4n(CC(=O)NCc4ccccc4Cl)c3c2=O)cc1 35399832 QBPYVWAIGOKYBD-UHFFFAOYSA-N 504.949 4.517 0 40 KJAB O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 43710828 ZNHGSEXMEIYKNJ-QYOOZWMWSA-N 512.949 4.510 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 58827123 AOSFQTMNINJOMQ-CVMWMZFYSA-N 515.034 4.897 0 40 KJAB CCOc1cccc2sc(N3CCN(C(=O)c4ccccc4NS(=O)(=O)c4ccc(C)cc4)CC3)nc12 60277639 QLEAPXGJCBYRAI-UHFFFAOYSA-N 536.679 4.767 0 40 KJAB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 70705522 ULVONAVTVFYZKQ-GSBZAIBZSA-N 546.671 4.814 0 40 KJAB biogenic CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=S)NC(=O)C3CC3)c2)cc1Br 97982365 QZUXFJOSMTZHEK-UHFFFAOYSA-N 532.869 4.525 0 40 KJAB COc1cc(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1NC(=O)c1cc2ccccc2o1 97996944 DUQTWNOJOKQOQZ-UHFFFAOYSA-N 535.578 4.846 0 40 KJAB COc1cc(OC)cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccccc2F)c1 100363647 NVHZYDSCWWAYEU-LJAQVGFWSA-N 545.615 4.811 0 40 KJAB CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCCC1 100370879 PICOCUIAFGKIMH-AREMUKBSSA-N 546.672 4.875 0 40 KJAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C 102778468 UKGISKRXXWMBPC-NRFANRHFSA-N 532.615 4.729 0 40 KJAB CCOc1ccccc1N(Cc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1)S(C)(=O)=O 222768671 NTGMKPRWOIMMLA-UHFFFAOYSA-N 508.625 4.822 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 222970174 BUYUPMAIWYLZNS-DEOSSOPVSA-N 535.710 4.778 0 40 KJAB COc1cccc(N(CCCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 222979243 HAOMBNBALXCJMC-SFHVURJKSA-N 572.555 4.880 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 223098882 SZBKLKPSGBFHFI-JOCHJYFZSA-N 556.128 4.910 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 223106823 CRPBCSPSCLILMW-VWLOTQADSA-N 595.762 4.850 0 40 KJAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(OC)c(OC)c1 223198387 XYSWHPZEQVMJQC-SANMLTNESA-N 506.618 4.942 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 223245194 MSGHBYPYPMYKOY-JGCGQSQUSA-N 599.753 4.975 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 223397840 VCDTUABRCDBCHL-VWLOTQADSA-N 544.117 4.836 0 40 KJAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 223449078 IURCVIMPWMRSHI-LJAQVGFWSA-N 553.700 4.743 0 40 KJAB CCOCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 223455619 UYLPYRZTQXLUJL-JGCGQSQUSA-N 609.764 4.856 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2cccc3cccc1c23 223461462 FDKNMOYVYVUMCY-OAQYLSRUSA-N 501.627 4.922 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 223603668 WOLAQCWNFPNAOG-JOCHJYFZSA-N 542.101 4.706 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 223905473 VAKHOBFJBYVQJM-LJQANCHMSA-N 542.529 4.710 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(Br)c(C)c1 223908157 AREWOADDIKWQQP-CQSZACIVSA-N 502.236 4.997 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 224118785 UPKGPQQELBALQA-MUUNZHRXSA-N 593.746 4.765 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 224217321 OZSJOAIJMJPXFJ-SANMLTNESA-N 606.572 4.934 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 224297591 JGSWFDXAIMPFHY-QFIPXVFZSA-N 540.513 4.626 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1C 224401196 PWGBDMCEBJSMQG-IBGZPJMESA-N 542.529 4.566 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(C)(=O)=O 224421893 SGCLQTKDSZNJDU-HSZRJFAPSA-N 540.513 4.626 0 40 KJAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 224883720 JJAWHUVOIDNKHS-HXUWFJFHSA-N 512.893 4.834 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224909485 BWNKPFSKLCSDNQ-QGZVFWFLSA-N 546.492 4.622 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 225023421 KZLMKOMCQMYKMV-JWQCQUIFSA-N 595.762 4.848 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225089994 JPPODVAUBWPBRC-SANMLTNESA-N 602.153 4.886 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 225106903 ZNQYCZYFVNYOHD-HHHXNRCGSA-N 581.735 4.541 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 225110512 DDHKQZRTHFAYSD-JWQCQUIFSA-N 565.736 4.839 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 225171831 LGCUTQCBNNRCIC-DEOSSOPVSA-N 553.700 4.971 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225239287 HAPQMHAKGBYABY-HXUWFJFHSA-N 548.920 4.746 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 225437716 CSOHVEZXZFNMJA-XZOQPEGZSA-N 556.128 4.910 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 225554767 KWDPFKHTKHLFSK-GDLZYMKVSA-N 642.616 4.974 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225556022 GEMFEPWXRMWZTE-MHZLTWQESA-N 658.615 4.543 0 40 KJAB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C(=O)O)cc1)Nc1ccc(F)cc1 225597943 GOYJSRVPTUXWAN-IZZNHLLZSA-N 529.597 4.711 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 225609726 OSDJUVILDDROEA-ZJSXRUAMSA-N 536.138 4.917 0 40 KJAB O=c1sc2cc(S(=O)(=O)NCCSCc3ccc(Cl)cc3)ccc2n1Cc1ccccc1 225740041 SSNKUZQJYOSPQO-UHFFFAOYSA-N 505.086 4.976 0 40 KJAB CC(C)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1 225786276 ORUSPVMCVZQJSQ-UHFFFAOYSA-N 530.071 4.951 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)Cc2ccc(Br)cc2)cc1 226066830 KTMNQTXAHVCMOD-UHFFFAOYSA-N 581.492 4.646 0 40 KJAB CC(C)c1nc(Cc2ccc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)cc2)no1 226084243 VGWZYJKGQUCDSZ-UHFFFAOYSA-N 524.574 4.741 0 40 KJAB COc1ccc(/C=C/c2nc3sc(=Cc4cn(-c5ccccc5)nc4-c4ccccc4)c(=O)n3n2)cc1OC 254311671 WVPRPNXALTXSJP-UKQFDUKRSA-N 533.613 4.739 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 260745472 BXOZYPNZCJIJHS-OAQYLSRUSA-N 602.153 4.885 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260752034 DTXJBCAQVGIJSZ-HHHXNRCGSA-N 527.731 4.580 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 260979586 NUSQBQYXYZKUNF-OFVILXPXSA-N 536.138 4.917 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 261012170 UPHQGKSJDIGBRP-YKSBVNFPSA-N 522.111 4.608 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c1ccccc1 261034507 XUAQWHKBPJEFMC-BJKOFHAPSA-N 581.735 4.621 0 40 KJAB Cc1cccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)Nc2ccc(F)cc2)c1 408578758 LYMPGLFLHKZYHL-UHFFFAOYSA-N 509.335 4.812 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1 408618560 KCADPLOSOGGPSH-UHFFFAOYSA-N 558.660 4.553 0 40 KJAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc(C(=O)O)c3)c(OC)c2)C1=O 409013253 TVKAZTPUIBAOML-OTGIAGGSSA-N 564.410 4.723 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(F)cc4)cc3)c(=O)n2[C@H]1c1ccccc1OC 409096887 LIGDXHQEETWQLG-XGLKJEJJSA-N 585.701 4.830 0 40 KJAB COc1c(I)cc(I)cc1[C@H](c1c[nH]c2ccccc12)C1C(=O)OC(C)(C)OC1=O 409112939 MOABSMKJIFVBIQ-QGZVFWFLSA-N 631.204 4.970 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 409113716 DUCVBXYKYORPIO-UHFFFAOYSA-N 587.698 4.819 0 40 KJAB CCOC(=O)c1ccccc1NC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(Cl)cc1 409144168 ODLNFXQONAULAM-UHFFFAOYSA-N 517.003 4.749 0 40 KJAB CCn1c(CNC(=O)COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1c(C)cccc1C 409175173 RAJBUSWJGBQPGI-UHFFFAOYSA-N 509.676 4.773 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2c(F)cccc2Cl)c2ccc(F)cc2)cc1OC 409181098 WEJXEYACHKQQFN-UHFFFAOYSA-N 571.067 4.880 0 40 KJAB COC(=O)c1cc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)ccc1Cl 409273002 USDZXGYNGYVMSW-UHFFFAOYSA-N 567.845 4.732 0 40 KJAB CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 409354948 BDOIMEOTDIRDJQ-KRWDZBQOSA-N 547.512 4.537 0 40 KJAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1 409359968 NTCICCWWVRBJFW-UHFFFAOYSA-N 506.657 4.950 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc(Br)c2)C1=O)N1CCc2ccccc2C1 409378952 STICTFSKZXUMCJ-HMAPJEAMSA-N 522.424 4.861 0 40 KJAB COc1ccc(CCNC(=O)[C@@H](Nc2ccc3c(cc2=O)[C@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)C(C)C)cc1 504564934 DCYSXYQLGOWCTF-ZUKKLESISA-N 617.743 4.667 0 40 KJAB biogenic COC(=O)C[C@@H](c1c(O)ccc(C(=O)c2ccc(Cl)cc2)c1O)c1cc2ccc(OC)cc2n(C)c1=O 524729780 JEGSFWYUBVAGLN-HXUWFJFHSA-N 521.953 4.538 0 40 KJAB biogenic COc1cc([C@@H](CC(=O)N[C@@H](CC(C)C)c2nc3ccccc3n2C)c2oc(C)cc(=O)c2O)ccc1O 524730412 IMLPIQBSGKQAHG-CTNGQTDRSA-N 519.598 4.680 0 40 KJAB biogenic CCN1CCCCN(S(=O)(=O)c2cccc(OC)c2)[C@@H](Cc2ccccc2)COc2ccccc2C1=O 643562151 HLTCUJCCSYMECN-DEOSSOPVSA-N 522.667 4.632 0 40 KJAB NC(=O)[C@H]([C@H](NC(=O)OCc1ccccc1)C(=O)O)C(c1ccccc1)(c1ccccc1)c1ccccc1 1772490887 PACLOPAXMUEYEO-SVBPBHIXSA-N 508.574 4.502 0 40 KJAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(CNS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc1)CC2 1104235 KKRROZIMLOFAGA-UHFFFAOYSA-N 522.667 4.614 0 40 KJAB CCCN(CCC)C(=O)CSc1nc2ccc(I)cc2c(=O)n1-c1ccccc1 2239105 FXVCEOAVOIUKBR-UHFFFAOYSA-N 521.424 4.731 0 40 KJAB CCOc1ccccc1N(C(=O)Cn1nnc(-c2ccccc2F)n1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 6631459 LBSNWAUJYRVZBY-MUUNZHRXSA-N 560.605 4.850 0 40 KJAB C[C@H]1CCCC[C@H]1N(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 12469810 NBJRNVOSAQFLDK-TVZXLZGTSA-N 504.718 4.877 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1)N(C(=O)CNC(=O)c1cccs1)c1ccccc1OC 12488644 LUOQUIHSTLMNAE-VWLOTQADSA-N 523.655 4.574 0 40 KJAB CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2)C1 12560839 ZZTDYSSOZFLVHZ-HNNXBMFYSA-N 518.941 4.575 0 40 KJAB Cc1ccccc1N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)[C@@H](C(=O)NC1CCCC1)c1cccs1 12704384 PDBDADWJUAZNLZ-RUZDIDTESA-N 518.618 4.682 0 40 KJAB COC(=O)c1cccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c1C 19856060 ZJPSIYLWZJUGTD-UHFFFAOYSA-N 507.395 4.922 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1 19930830 FKKRBOMHLRDGLZ-FDDCHVKYSA-N 501.446 4.525 0 40 KJAB CSc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2)c2ccc(C)cc2)cc1 20239537 WMXDRJYETAHEJD-UHFFFAOYSA-N 500.711 4.962 0 40 KJAB COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1Cl 22821717 QYSADIDHWWWCRX-UHFFFAOYSA-N 500.363 4.929 0 40 KJAB COc1ccccc1C(=O)OCCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 33358277 IXBHXIMYVGMFEG-UHFFFAOYSA-N 605.694 4.617 0 40 KJAB CC(=O)c1ccc(NC(=O)CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)cc1 53290980 BJXZVFDIRPACHX-UHFFFAOYSA-N 533.679 4.888 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)c1 59884355 RZWSZOFHCHSFNM-UHFFFAOYSA-N 556.493 4.816 0 40 KJAB CC(C)C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccc(F)cc1 70701582 UNAQOWVVFPXMDO-YCVJPRETSA-N 538.623 4.624 0 40 KJAB biogenic CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3cccc(F)c3)C2)cc1 97963907 MQDXHPHWUDJWTB-QHCPKHFHSA-N 522.023 4.781 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3ccc(OC(C)=O)cc3)c2=O)=N1 100307925 WZIRHWVNEAXHCD-KEBLUXQBSA-N 570.667 4.666 0 40 KJAB COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2C)c(OC)c1 100365624 ODYMYPPPLCNNHI-SSEXGKCCSA-N 541.652 4.899 0 40 KJAB COc1ccc([C@@H](C(=O)Nc2ccc(OC)cc2OC)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 101387270 KANPMETWTQVHRH-HKBQPEDESA-N 565.630 4.866 0 40 KJAB C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 103090892 HERQGWGWRHVQIP-KRWDZBQOSA-N 565.629 4.566 0 40 KJAB COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)CN2N=N[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]42)[C@@H]3c2ccc(OC)cc2)cc1 103256311 XYCYZVLQYDBKSS-MRVFVZGZSA-N 604.667 4.820 0 40 KJAB CCOc1ccc(N(CC(=O)n2cc(C(=O)OC)c3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 222578818 SHAPWZBDZVMHMX-UHFFFAOYSA-N 506.580 4.671 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 222677625 PVDSWSSIQCXXNJ-OAHLLOKOSA-N 568.445 4.722 0 40 KJAB C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl)c1ccc2c(c1)OCCO2 222745737 QXAVDAVVSGJNJP-HNNXBMFYSA-N 517.028 4.575 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 222864999 JOICPEJIFKLSTB-VWLOTQADSA-N 612.963 4.808 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl 222960232 NIIDHCCWYZRJRP-HNNXBMFYSA-N 578.946 4.753 0 40 KJAB COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1 223286394 BVDVNCBDGUYRPI-WUFINQPMSA-N 521.057 4.826 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 223310610 NNARSQYSUGATAH-DEOSSOPVSA-N 606.528 4.513 0 40 KJAB O=C(NCc1ccc2c(c1)OCO2)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223328183 NLEFUSWAXPQBDZ-UMSFTDKQSA-N 625.747 4.875 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1cc(OC)cc(OC)c1 223350512 VOTSEJZJVCYVAX-SANMLTNESA-N 511.018 4.512 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(C)(=O)=O 223501292 XUEIFGFFNWYTRG-WXVAWEFUSA-N 556.128 4.661 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 223513793 KKLNZAFGXUGUOW-OAQYLSRUSA-N 572.555 4.799 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 223561866 NWAAXRGLMIDFJW-MHZLTWQESA-N 600.579 4.608 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223591848 LIUDKAPOAXHKQM-MHZLTWQESA-N 611.761 4.630 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223685765 LHXGRFDGGPXGAJ-RUZDIDTESA-N 566.164 4.927 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 223740336 QXBYZAUHFOJANL-JGCGQSQUSA-N 599.753 4.975 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 223762497 QKIPRTXZHMWELK-RUZDIDTESA-N 536.138 4.953 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cc(C)ccc2C)c2cccc(Cl)c2C)cc1 223989278 YWLARLPFEKXDBE-UHFFFAOYSA-N 501.048 4.964 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 224221236 LIHOQDOHXCGVMN-MRXNPFEDSA-N 582.472 4.968 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 224425212 PICWREHOPAHJPZ-QHCPKHFHSA-N 584.566 4.943 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 224572769 DRDMFZYNZQGAIR-NDEPHWFRSA-N 583.776 4.864 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 224784462 GGMBMWKVPPCNTC-NRFANRHFSA-N 534.122 4.607 0 40 KJAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CCCN3CCOCC3)c2C)ccc1F 224895557 JRXAZRJOJNQKGI-KAYWLYCHSA-N 507.679 4.847 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc2c(c1)OCO2 224931579 GGEJPSUIYNGONX-NDEPHWFRSA-N 626.175 4.924 0 40 KJAB CCc1ccccc1N(CC(=O)Nc1ccc2c(c1)sc(=O)n2CC)S(=O)(=O)c1ccc(C)cc1 225080977 ZSAYDXRHNONSPE-UHFFFAOYSA-N 509.653 4.788 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)cc1 225227356 GYJRKPURSISXFS-UIOOFZCWSA-N 572.599 4.500 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 225503927 HUUQLQUGWHVBAN-HHHXNRCGSA-N 592.108 4.941 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 225525594 HPTFFZUIBSWWGR-VWLOTQADSA-N 535.710 4.749 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 225633861 FXYMLPJABSOUKL-MHZLTWQESA-N 570.155 4.790 0 40 KJAB CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]3[C@H](C(=O)c3ccccc3)N2c2ccc(Cl)cc21 252347094 VCYXWWVNBCHCLS-GGLXGSTNSA-N 512.949 4.732 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 260757929 SHZMLYARMOMOIT-JOCHJYFZSA-N 542.101 4.786 0 40 KJAB CCc1ccc([C@@H](C)NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(Cl)ccc3O2)cc1 260772920 XMXPXJJBHNYWDB-CRICUBBOSA-N 515.031 4.745 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 260858518 ALGUCYOIDJLEHS-OAQYLSRUSA-N 590.117 4.873 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 260929953 OURDWXUNWCHBDF-GOSISDBHSA-N 614.990 4.743 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)NCC(C)C)S(C)(=O)=O)cc1 260938769 ZEEJGUWYBUFJOD-HHHXNRCGSA-N 529.747 4.683 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260941232 RSGGJIAQANXVQQ-JOCHJYFZSA-N 531.694 4.547 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc2c(c1)OCCO2 261036519 YJEFAZPHOSYPSV-MUUNZHRXSA-N 670.626 4.685 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)CCc2ccccc2)Cc2ccccc2)cc1Cl 408610077 NLWFWXAUAFHYOP-HXUWFJFHSA-N 501.048 4.677 0 40 KJAB COC(=O)c1cc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc(C(=O)OC)c1 408610202 OGCWYAJDWOFTCL-UHFFFAOYSA-N 573.067 4.668 0 40 KJAB COc1ccc(N(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 408617449 BDFCNWPFWUQNHQ-UHFFFAOYSA-N 577.625 4.575 0 40 KJAB Cc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408660322 PRKCMNJVJALZFV-BZWVVWSASA-N 505.401 4.915 0 40 KJAB CCc1ccc(NC(=O)COC(=O)CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 408689062 XYQRRTMYGXWZRB-UHFFFAOYSA-N 504.153 4.641 0 40 KJAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1 408701991 ITWSGTVAMZBQLT-UHFFFAOYSA-N 541.695 4.921 0 40 KJAB COC(=O)c1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)sc2c1CCCC2 408714956 ZHNAQRDYIMQKAZ-OAHLLOKOSA-N 545.510 4.901 0 40 KJAB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Cl)ccc5O)c(=O)n42)c2ccccc2CC3)c1 408783680 PYUZHHWCXWWSTB-KMBIYUNPSA-N 501.007 4.686 0 40 KJAB CCOC(=O)Cn1c(C)c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c2ccccc21 408924048 PUYZARVKYLCZKR-CTHKJOMYSA-N 608.695 4.839 0 40 KJAB CN(C)c1ccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc1 408960024 ICGGYOHSGYOLTC-STZFKDTASA-N 525.428 4.981 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 408988888 RXXPHGVULRDTGJ-AYTQJLEDSA-N 554.668 4.731 0 40 KJAB Cc1cccc(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c1C 409114910 RGXLVKYJYGFNSZ-UHFFFAOYSA-N 520.392 4.742 0 40 KJAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)cc3)C2)cc1 409153087 CNCVUMQIOOYHTK-LJQANCHMSA-N 526.420 4.989 0 40 KJAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCC(=O)Nc2ccc(OCC)cc2)c(OC)c1 409380875 JKBPXSGMQVORDV-VWLOTQADSA-N 523.611 4.879 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)C2=O)o1 409408609 KDMUVDIFDAICHH-REZTVBANSA-N 648.216 4.632 0 40 KJAB CC1=C(C(=O)NCc2ccccc2)[C@@H](c2cc(Br)cc(Br)c2OC(C)C)NC(=O)N1 679473 QKWOYLBVBQNIIB-LJQANCHMSA-N 537.252 4.943 0 40 KJAB O=C(NCc1ccc(F)cc1)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 1372416 PUELWOMZNKRYPM-LJAQVGFWSA-N 525.559 4.796 0 40 KJAB CCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)ccc12 2093140 XKFJWFHASXZNSD-AREMUKBSSA-N 505.592 4.988 0 40 KJAB biogenic Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2cc(C)cc3oc(=O)c4c(c23)CCC4)c2ccccc2)cc1 2415127 QJLCKFGJUXJAQX-SANMLTNESA-N 503.576 4.524 0 40 KJAB COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCN(c5ccccc5OC)CC4)c3N2)cc1OC 3012482 RDPPSGDGRXSQCH-CYFREDJKSA-N 545.562 4.532 0 40 KJAB O=C(O)[C@@H]1[C@@H](C(=O)NCc2ccccc2)C2(Br)c3ccccc3C1(Br)c1ccccc12 3059145 GCGLGKMZCPDQRT-SKGAXEKPSA-N 541.239 4.924 0 40 KJAB COC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 3304854 ZDDXJSKUVGCPMT-MRXNPFEDSA-N 539.666 4.648 0 40 KJAB Cc1ccc(-n2c(SCC(=O)N(c3ccccc3)[C@H]3C=CS(=O)(=O)C3)nnc2-c2ccccc2)cc1C 3384240 SFCIXTNYKABYJJ-VWLOTQADSA-N 530.675 4.987 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)c(OC)c(OC)c4)c(=O)n32)cc1 3770655 PSWWGBBTWNGBRK-SJJVXOANSA-N 576.074 4.553 0 40 KJAB Cc1ccccc1[C@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1S(=O)(=O)c1ccc(Cl)cc1 9380946 KIWDFMNFEAHQPA-HSZRJFAPSA-N 504.033 4.560 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)n2CC)sc2c1CCCC2 14091695 SDAQXAQPAAIGAY-UHFFFAOYSA-N 514.673 4.745 0 40 KJAB Cc1c(NC(=O)CSc2ccccc2C(=O)NC[C@H](C)c2ccccc2)c(=O)n(-c2ccccc2)n1C 14113496 BJBQTCVOGNSKFW-FQEVSTJZSA-N 514.651 4.749 0 40 KJAB COC(=O)c1c(NC(=O)COC(=O)COc2ccc(OCc3ccccc3)cc2)sc2c1CC[C@H](C)C2 15544610 OBSFTFZMQKZHCF-SFHVURJKSA-N 523.607 4.799 0 40 KJAB COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 18143360 GLCNHWBHNNLGNE-KCHLEUMXSA-N 520.541 4.966 0 40 KJAB CCOc1ccc(/N=c2\scc(-c3ccc(S(=O)(=O)N(CC)CC)cc3)n2CCCOC)cc1 32624422 QUYWCZHQGHCOHV-QPLCGJKRSA-N 503.690 4.915 0 40 KJAB CCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3cccc(CC)c3)nc3ccccc3c2=O)cc1 33058574 HSNXOVDMQSFLFO-UHFFFAOYSA-N 514.651 4.878 0 40 KJAB CCOC(=O)[C@@]1(Br)C(c2ccccc2)[C@@](Br)(C(=O)OCC)[C@@](C)(Br)N[C@@]1(C)Br 33355168 CPKBQOWOKDFJPW-NJAQDFEVSA-N 649.012 4.989 0 40 KJAB Cc1cc(C)nc(SCc2c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)nnn2-c2ccccc2)n1 35590690 PVNMMRYWIPCSDO-UHFFFAOYSA-N 520.062 4.582 0 40 KJAB COc1ccc(Cn2c(SCC(=O)Nc3ccccc3F)nc3c(sc4ncccc43)c2=O)cc1 45923150 WRVKWGJGNRQQOP-UHFFFAOYSA-N 506.584 4.933 0 40 KJAB CCOC(=O)[C@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1 59223940 MDSQOJYHHZBZKA-HYBUGGRVSA-N 574.991 4.989 0 40 KJAB COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)cc1OC 70672421 IHNACKDFLXNPGW-SANMLTNESA-N 591.686 4.652 0 40 KJAB biogenic COc1cccc([C@@H]2[C@H]3CCc4ccccc4[C@@H]3N=c3s/c(=C\c4cc(Cl)c(O)c(OC)c4)c(=O)n32)c1 100140700 JMWUQTXUDWURDB-RBSOWZMYSA-N 533.049 4.641 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=C2\N=C(c3ccc(Br)c(C)c3)OC2=O)cc1OC 100149170 SCWUXFNXCPFLAY-MFOYZWKCSA-N 553.203 4.815 0 40 KJAB CCc1ccc(OCc2nn(CN3CCN(S(=O)(=O)c4c(C)noc4C)CC3)c(=S)n2[C@H](C)c2ccccc2)cc1 101082687 YVXPEQRGVUMZGS-JOCHJYFZSA-N 596.779 4.734 0 40 KJAB Cc1c(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C[C@@H]3C[C@H]2c2ccccc2)ccc(Br)c1Cl 101465868 ISGFSWBIYHMBLB-DMFRYWHDSA-N 501.808 4.774 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnc3n(Cc4ccc(C)cc4)c(=O)c4ccccc4n23)c1 103132553 PGIIYTINJVXDIA-UHFFFAOYSA-N 625.176 4.816 0 40 KJAB COc1ccc(CCNC(=O)NC[C@@]2(C)C[C@H](NC(=O)NCCc3ccc(OC)c(OC)c3)CC(C)(C)C2)cc1OC 103768104 FCEZOFAYGFPOJE-QNLPTKCRSA-N 584.758 4.690 0 40 KJAB COc1ccc(C(=O)O)cc1NC(=O)/C(=C/c1ccc(OC)c(OC)c1)NC(=O)c1ccccc1Br 113564244 XVKSBGUJRFCOIN-NDENLUEZSA-N 555.381 4.583 0 40 KJAB C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)c1ccc(Br)cc1 208299962 ARWVGZSAMPLEDX-KKSFZXQISA-N 506.393 4.674 0 40 KJAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)Oc2ccc(Cl)cc21 216297844 FYJIXGSBQKEZKQ-NRFANRHFSA-N 624.446 4.979 0 40 KJAB COc1cc(OC)cc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 222575444 PARZSZXAIHWIQJ-LJAQVGFWSA-N 518.654 4.803 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 222592481 PGSAHQUNTVRGLV-UFHPHHKVSA-N 655.814 4.681 0 40 KJAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2 222783032 VAWPRLDFXPFKPA-UHFFFAOYSA-N 604.150 4.592 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 222844369 WLVYBNOJWUGKKQ-DEOSSOPVSA-N 552.137 4.535 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223055228 DKHMMCYYHCFAEU-LJQANCHMSA-N 683.021 4.877 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 223055704 FPHRFBZZRYDTNC-QFIPXVFZSA-N 646.604 4.832 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 223082245 IZOBGAMVHMGCOK-MHZLTWQESA-N 535.710 4.669 0 40 KJAB COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](C(=O)NCc2ccc(C)cc2)c2ccccc2)cc1 223510981 LTOPELFZKWVXMY-MGBGTMOVSA-N 599.753 4.852 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 223848539 GPUUYEROVQISKD-FQEVSTJZSA-N 590.515 4.727 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223859337 YTKZQCKHHGWZAW-HXUWFJFHSA-N 592.545 4.892 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 223872469 BWXBBZDDQYZPBN-QFIPXVFZSA-N 546.492 4.622 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 223983098 RGFUKQYXYYLHGU-MUAVYFROSA-N 600.181 4.978 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 224090920 BBHBTYRYOZPPIP-NRFANRHFSA-N 586.552 4.976 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 224378981 AAZOZHHJQLMXMF-VWLOTQADSA-N 564.054 4.757 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 224401724 WDRWFOSXNOPFHU-SANMLTNESA-N 618.569 4.909 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccc(F)cc2)[C@@H](CC)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 224403431 LZDIWBWHIKXKPL-MHZLTWQESA-N 545.721 4.801 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 224424168 PBWYPMZFJRXFKE-QFIPXVFZSA-N 546.492 4.622 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 224440211 ALGUCYOIDJLEHS-NRFANRHFSA-N 590.117 4.873 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 224650412 RQFUYOFNRXTBBA-JOCHJYFZSA-N 542.529 4.647 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 224670948 DDRHQVDGRLNYOM-VWLOTQADSA-N 535.710 4.751 0 40 KJAB COc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224762175 XBCJCKPQDLWDHO-UHFFFAOYSA-N 546.064 4.725 0 40 KJAB CCOc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1CN(C)S(=O)(=O)c1ccccc1 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4.680 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 225445426 ZWLCUKCSKFZCAP-SFHVURJKSA-N 623.367 4.570 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 225538229 QUCRSDQHCNJSIW-BKMJKUGQSA-N 523.699 4.636 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 225549764 KSASVFQVRUKRSR-SSEXGKCCSA-N 555.700 4.576 0 40 KJAB COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccc(F)cc1 225603511 NKPJGYDMLSOAJO-KAYWLYCHSA-N 543.624 4.799 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 225640410 VMWREKWFHRDIEM-AREMUKBSSA-N 578.081 4.551 0 40 KJAB O=C(Nc1nnc(S(=O)(=O)NCCSCc2ccccc2Cl)s1)c1ccc(Cl)cc1Cl 225647748 ILDJZVNZHPSGLV-UHFFFAOYSA-N 537.903 4.962 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 225650246 SPIDSUQXGVEDEF-SSEXGKCCSA-N 597.753 4.937 0 40 KJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)NCCNc3ccnc4cc(Cl)ccc34)cc2)cc1 225983074 PARWHEJDBMDBMH-UHFFFAOYSA-N 523.058 4.793 0 40 KJAB Cc1ccc(S(=O)(=O)N2CC3(CCN(CC(=O)Nc4ccc(Cl)cc4)CC3)OC[C@H]2Cc2ccccc2)cc1 257343014 ZRBJZVXWJUGQDJ-HHHXNRCGSA-N 568.139 4.754 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)c2cc(C)cc(C)c2)cc1 260723844 HSKAYZJQAQVWIK-RUZDIDTESA-N 535.710 4.749 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)C2CCCCC2)cc1Cl 260751965 WQTWLSNJQFEACD-GDLZYMKVSA-N 612.148 4.783 0 40 KJAB Cc1ccc(C)c(N(CCCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 260792668 MJEHMELSFSIRBT-RUZDIDTESA-N 541.758 4.758 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)C)c2ccccc2)cc1OC 260900059 USDOYBYUNCFFSV-OAQYLSRUSA-N 632.577 4.604 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)c1C 260907905 XHEKXPSVWYSQDN-HSZRJFAPSA-N 539.673 4.580 0 40 KJAB 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Cc1cccc(NC(=O)COC(=O)CCN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1 408688942 RIUMKOOXUSTIFP-UHFFFAOYSA-N 504.153 4.777 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 408711122 JQLGODYQUMYSHO-UHFFFAOYSA-N 559.710 4.688 0 40 KJAB Cc1cc(I)ccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)Oc1ccccc1 408738338 RNRDCLHOXJREGU-OAQYLSRUSA-N 500.336 4.938 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408752493 IXWWKGQIYHZMPY-GTWFGUSFSA-N 531.033 4.641 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(Br)c3Br)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408830934 ZBIQLOKCSJACET-NOPGXUSGSA-N 666.388 4.825 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@H]1c1ccc(Cl)cc1 408842079 NVFPAOLZARFWDN-FYXHJSOBSA-N 527.351 4.648 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)O)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409037391 CCWPJIAIPHKYEC-PRLWALMFSA-N 602.665 4.552 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(C)c4c(C)cccc34)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 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CC[C@H](C(=O)NCc1ccc(F)cc1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(F)c(Cl)c1 888003 YGHONGCBHFNEEI-HSZRJFAPSA-N 542.949 4.539 0 40 KJAB CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(C)o2)cc1 901283 ONFOICRNHONAJZ-NDEPHWFRSA-N 515.614 4.955 0 40 KJAB Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c(C)c1 921230 LIAOHXPFMHEUDR-GDLZYMKVSA-N 511.626 4.977 0 40 KJAB Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCc1ccccc1)c1ccccc1F 1372520 XOQSVYFAHKZIOU-GDLZYMKVSA-N 507.569 4.970 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(F)cc1 2049564 YNSFYKOVUJWGGJ-MFUBYVTQSA-N 566.994 4.549 0 40 KJAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(CN2CCN(c3ccc(F)cc3)CC2)c1 2110106 AYLWCNKBMCMEMF-LJAQVGFWSA-N 500.618 4.882 0 40 KJAB biogenic CCOC(=O)c1ccc(CNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 2684025 FBWUSGOVOJMCLV-UHFFFAOYSA-N 533.675 4.911 0 40 KJAB Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c(C)n1Cc1cccs1 3294206 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FMHCOVDZXIYJDM-LJQANCHMSA-N 533.625 4.881 0 40 KJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 102941636 YKBKMZGTVSOQOD-NGSHPTGOSA-N 517.507 4.855 0 40 KJAB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3I)cc2Cl)CC1 103933877 JZMMDQMRGCWBMN-UHFFFAOYSA-N 525.818 4.892 0 40 KJAB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(I)c(O)c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 104657480 BYCNSIGAJQOEHN-RISWYLRJSA-N 622.484 4.646 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 105823714 DLWVIHLTWQFACG-MFCBUNOESA-N 534.678 4.718 0 40 KJAB COc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(C)cc2)cc1Cl 222665627 UFQUITPMEDWNGA-SFHVURJKSA-N 531.030 4.501 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 222691975 KACDRLFQPOBBSV-HHHXNRCGSA-N 574.118 4.657 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 222804991 LXYYAEILLZZXBU-OAHLLOKOSA-N 548.920 4.745 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](CC)C(=O)NC)S(=O)(=O)c2ccc(Cl)cc2)cc1 222987677 RVPPFDJORUCCQX-MHZLTWQESA-N 572.127 4.796 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 223034787 SRGWDPQHMCCTDY-HHHXNRCGSA-N 553.750 4.774 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 223347433 YIOJVSLZOZWVGI-LJQANCHMSA-N 555.311 4.620 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 223416968 HFZQNQDJHCZLLG-QDPGVEIFSA-N 570.155 4.824 0 40 KJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 223519940 WQMXUEWPQJWZPA-QHCPKHFHSA-N 556.128 4.911 0 40 KJAB COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)[C@H](C(=O)NCc2ccccn2)c2ccccc2)cc1 223531638 HPMOMOAIHRYBJR-HKBQPEDESA-N 539.632 4.736 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 223747098 JTYDZZIOZVNUBX-OAQYLSRUSA-N 542.101 4.651 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223935703 PPTKYQFJKRIVBU-IBGZPJMESA-N 612.576 4.787 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)c2cccc(C)c2)cc1 224060130 UXVVVMIDWAXGOF-QHCPKHFHSA-N 553.700 4.970 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 224083639 GLDZIQVYMGGGPV-NDEPHWFRSA-N 570.155 4.889 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224189656 PPYWKDLDFVHFNA-MUUNZHRXSA-N 607.773 4.559 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)c2ccccc2F)cc1 224288954 GFECAJJTVRSYES-QFIPXVFZSA-N 557.663 4.658 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 224361712 JFRRFSJABILVQS-HHHXNRCGSA-N 553.700 4.890 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224371550 FDKPOOQNKGSHCV-MHZLTWQESA-N 599.725 4.599 0 40 KJAB COc1cc2c(cc1OC)N(Cc1ccccc1)S(=O)(=O)C(C(=O)NCCOc1ccc(C)c(C)c1)=C2C 224585736 KXIFJHPSKVQULI-UHFFFAOYSA-N 536.650 4.597 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 224743915 HCSBJTYLFBDCIR-MUUNZHRXSA-N 569.699 4.609 0 40 KJAB O=C(Nc1nnc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)s1)c1ccc(Cl)cc1 224892839 KNVNDDBQRQAEBQ-UHFFFAOYSA-N 500.989 4.824 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3nnc(SCc4ccccc4)s3)Oc3ccc(C)cc32)cc1 225068316 XRUKMZVJVNREHP-QHCPKHFHSA-N 568.702 4.742 0 40 KJAB Cc1ccc(CN(CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)S(C)(=O)=O)cc1 225235732 QBUNBZUWLPMVNY-UHFFFAOYSA-N 507.656 4.945 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 225259235 VFHCDEZGFRNTBR-JKSUJKDBSA-N 548.920 4.745 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 225459054 WLPJBZWCZOBBKK-LJQANCHMSA-N 592.943 4.770 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 225471065 XATAYRONCTVKCF-MHZLTWQESA-N 574.118 4.802 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 225528284 ATUDCYNDEFZAHM-WJOKGBTCSA-N 569.727 4.885 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 225683821 IJNTZDHYXPBCCJ-RUZDIDTESA-N 549.737 4.990 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)Cc2ccc(Br)cc2)cc1 226025694 QJBVSVLYRWFHHU-UHFFFAOYSA-N 600.564 4.642 0 40 KJAB COc1ccc(N(C)C(=O)CN(CCc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 226032974 MKWFRBOGMQNLQV-UHFFFAOYSA-N 507.439 4.898 0 40 KJAB CNc1nc(-c2ccc(OC)c(NC(=O)c3ccc(OC)c(S(=O)(=O)NC4CCCCC4)c3)c2)cs1 226045620 DUAYQAAWDHRFJS-UHFFFAOYSA-N 530.672 4.732 0 40 KJAB CNc1nc(-c2ccc(OC)c(NC(=O)COc3ccc(S(=O)(=O)NCc4ccccc4)cc3C)c2)cs1 226055151 HCPXKJSLFAAZHL-UHFFFAOYSA-N 552.678 4.665 0 40 KJAB O=C1[C@@H]2[C@@H](N=NN2CC(=O)N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccccc2)C(=O)N1c1cccc(Br)c1 226333468 JZYYICPGIGFNHW-GPXOXTDOSA-N 636.304 4.883 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c2ccccc2F)cc1 260782374 KVNHPCUMCUURNA-HSZRJFAPSA-N 553.700 4.704 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 260866089 ALNFRGFVCQUWHQ-CPJSRVTESA-N 552.137 4.617 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 261068160 PCQDTOFRKSGXLD-HOTGVXAUSA-N 548.920 4.745 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)C1=O)Nc1ccccc1F 408542006 IXKYCRLFFGOPKR-JJFYIABZSA-N 519.510 4.795 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 408589833 GCPWZFURVBWENI-UHFFFAOYSA-N 562.519 4.850 0 40 KJAB COc1ccc(Cc2nnc(SCC(=O)Nc3cc(Br)ccc3Br)n2C)cc1 408596493 QEOJVDDYMZLTNM-UHFFFAOYSA-N 526.254 4.670 0 40 KJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)ccc2C)cc1C 408623038 CMNPGRHJXJOJPD-UHFFFAOYSA-N 528.634 4.990 0 40 KJAB CCOc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)c1 408690964 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0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC(=O)O)c(Br)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 409023605 IJJMOKFQRFOFSO-KFQDKBEMSA-N 683.964 4.824 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)c(=O)n2[C@@H]1c1ccccc1OC 409104250 CBKBXJGPWKJOQK-QEYQTOMISA-N 599.738 4.733 0 40 KJAB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 409234098 LVEKGYXINOGATR-CIAFOILYSA-N 554.372 4.707 0 40 KJAB COCC(=O)N1CCCN(Cc2ccccn2)CCN(C(=O)CCCCc2nc3ccccc3[nH]2)Cc2ccccc21 643561852 BKNJAPHXWOWPRI-UHFFFAOYSA-N 568.722 4.585 0 40 KJAB Cc1cc(I)ccc1NC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1C 797532 CZYMMUOKYXOVOX-UHFFFAOYSA-N 527.819 4.724 0 40 KJAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2)cc1 890725 KPRSSFYHGVGSMO-UHFFFAOYSA-N 529.544 4.700 0 40 KJAB O=C(Nc1cccc(OC(=O)c2ccc(Br)c(S(=O)(=O)N3CCCC3)c2)c1)c1ccccc1 991062 LFFZSILILCAYKU-UHFFFAOYSA-N 529.412 4.705 0 40 KJAB COc1cc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 8384215 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588.711 4.566 0 40 KJAB COCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)c(I)c2)C1=O 409134620 SNPPZSPZXLZLBZ-XDHOZWIPSA-N 509.365 4.861 0 40 KJAB COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)cc2)cc1 409164037 BNATZFJHJTWNRD-HZHRSRAPSA-N 502.548 4.898 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cc(Br)c(Br)o2)C1=O)Nc1cccc(F)c1 409245950 BINJWDRZLMKQOP-WUXMJOGZSA-N 504.131 4.619 0 40 KJAB COc1ccccc1CNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 409336774 URFYYPVTRMAQAR-UHFFFAOYSA-N 507.439 4.552 0 40 KJAB COc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c1OCc1cccc(C(=O)O)c1 409387296 PNEWMTCVABORQJ-MYYYXRDXSA-N 558.612 4.594 0 40 KJAB Cc1cc(C)n(CCOc2ccc(CN(CCCO)C[C@@H](O)Cn3c4ccccc4c4ccccc43)cc2)n1 585270068 DDAXVQQCGNOSHI-HHHXNRCGSA-N 526.681 4.932 0 40 KJAB Cc1ccc(-c2cc(C(=O)N3CCC4(CCCCOCCNC(=O)c5ccccc5OC4)CC3)nn2C)cc1 643563993 SPQGMAJBRALHPS-UHFFFAOYSA-N 530.669 4.627 0 40 KJAB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Br)cc2)cc1 1253625 DRQYYAOODCHBBY-UHFFFAOYSA-N 524.400 4.609 0 40 KJAB O=C(NCc1ccccc1)[C@@H](c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1 1372495 WXBBCPAMAVOVKM-MUUNZHRXSA-N 511.532 4.800 0 40 KJAB COc1ccc(-n2c(=O)c3c4c(sc3n3c(SCC(=O)Nc5ccccc5OC)nnc23)CO[C@H](C(C)C)C4)cc1 1831013 XPXXBCGOHGYTQW-QFIPXVFZSA-N 591.715 4.940 0 40 KJAB CCN(CC)C(=O)CN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2c2ccccc2)c2cc(Br)ccc21 2191692 KIEWYSZCLGDGFN-HHHXNRCGSA-N 533.426 4.589 0 40 KJAB CC[C@]1(C)Cc2c(sc3nc(SC)n4c(SCC(=O)NCCc5ccccc5)nnc4c23)CO1 2210625 RFDVWUDXYAWRIX-XMMPIXPASA-N 513.714 4.753 0 40 KJAB Cc1ccc(-n2c(=O)c3c4c(sc3n3c(SCC(=O)NCCc5ccccc5)nnc23)CCCC4)cc1 2213452 SUGHULXBZQLRSX-UHFFFAOYSA-N 529.691 4.733 0 40 KJAB COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1OC 3276975 QTHLZTCTJQEEQN-UHFFFAOYSA-N 591.923 4.506 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1 3768452 VVCKOSMGDDJGCV-LAUBZIAYSA-N 533.653 4.801 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccccc1 5665357 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0 40 KJAB O=C(c1ccco1)N1CCN([C@@H](c2ccccc2Cl)c2sc3nc(-c4ccco4)nn3c2O)CC1 22851881 FCAGZQSUMUYTSN-IBGZPJMESA-N 509.975 4.550 0 40 KJAB CCOC(=O)[C@@H]1CCCCN1C(=O)CSc1nc2sc3c(c2c(=O)n1[C@@H](C)CC)CCCCC3 32745138 PWQDIHOOIHWTJU-WMZOPIPTSA-N 505.706 4.734 0 40 KJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)ccc2C)cc1 59852715 JDMBXVGJFZZALQ-UHFFFAOYSA-N 536.635 4.552 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c2cccc(Br)c2)cc1 60028318 ZGDUXCCUUBOSMB-UHFFFAOYSA-N 615.531 4.787 0 40 KJAB CCOC(=O)N1CCN(C(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)CC1 70666142 GXOSOLHKVMYJQT-RZAQPKAOSA-N 532.766 4.694 0 40 KJAB biogenic O=C(O)[C@H](O)c1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1 94313242 MORJGZQSVTUXOE-LLVKDONJSA-N 763.829 4.721 0 40 KJAB in-vitro COc1cccc(C(=O)NN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@H]2CC(=O)Nc2cccc(Cl)c2)c1 97952054 QJIXCITZCUFWBO-OAQYLSRUSA-N 543.432 4.678 0 40 KJAB 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CCOc1ccc(N(CC(=O)Nc2ccc(Br)cc2F)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409311185 YOQMIFWTQWEJIL-UHFFFAOYSA-N 567.433 4.838 0 40 KJAB CCOc1cc(Br)c(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1OCC 409388884 XFPQKMSHGZSKSP-UUYOSTAYSA-N 545.455 4.868 0 40 KJAB Cc1cc(OC[C@]2(CC(=O)N3CCCCC3)CN(C(=O)COc3ccc(Cl)cc3)CCO2)ccc1Cl 585285711 MERFRCVHJUSINW-MHZLTWQESA-N 535.468 4.760 0 40 KJAB CCOc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O 604404831 SOGHWCSKFCDMNE-NZQKXSOJSA-N 532.593 4.964 0 40 KJAB biogenic COCc1nc2ccccc2n1CC(=O)N1CCC2(CCCCOC[C@@H]3CCCN3C(=O)c3cccc(c3)OC2)CC1 643562125 FHBRQQHYLLGYEL-SANMLTNESA-N 574.722 4.676 0 40 KJAB COc1cccc(NC(=O)c2ccc3c(c2)Cc2cccc(c2)CN(C2CCOCC2)CCOCCO3)c1 643579643 GGWAAHVXIAMFTN-UHFFFAOYSA-N 516.638 4.928 0 40 KJAB COCCN1CCN(C(=O)c2cnc(N3CCC[C@H]3c3ccc(Br)cc3)nc2CCc2cccc(F)c2)CC1 1615528613 BAZLPALYAYOBHF-NDEPHWFRSA-N 596.545 4.909 0 40 KJAB CCOc1cccc2c1O[C@](C)(CCC(=O)O)[C@H]1CC3(CCN(C(=O)CC4(O)CCCCC4)CC3)CO[C@H]21 2037875605 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COc1cc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)cc(OC)c1OC 3270694 NBHIHPQOFXOAGL-UHFFFAOYSA-N 508.621 4.937 0 40 KJAB COc1ccc2c(c1)c(CC(=O)OCC(=O)NCCc1ccc(F)cc1)c(C)n2C(=O)c1ccc(Cl)cc1 3341737 OSAUFJJTPRTPDN-UHFFFAOYSA-N 536.987 4.884 0 40 KJAB COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc(Br)c1O 3656167 MFGVFIPWGLKOGG-QFIPXVFZSA-N 554.324 4.883 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N(Cc3cccs3)C[C@@H]3CCCO3)cc2c1 6198355 UPPHYANSKHXFMK-RBJSKKJNSA-N 540.693 4.957 0 40 KJAB CCOc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)ccc2C)cc1 6601736 BBAKQMYECNFBFP-AREMUKBSSA-N 557.676 4.544 0 40 KJAB COc1cccc(C(=O)COC(=O)[C@@H](C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1 8450211 UHGIGHZNNUIKHT-MRVPVSSYSA-N 505.137 4.719 0 40 KJAB CCOc1ccccc1N1CCN(Cn2nc(-c3c[nH]c4ccccc34)n(C[C@H]3CCCO3)c2=S)CC1 12565738 XSXKOASITGVLTG-OAQYLSRUSA-N 518.687 4.920 0 40 KJAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 15880228 ZGFXRPXGOMTDIG-LJQANCHMSA-N 510.685 4.517 0 40 KJAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 16476946 YXLIVNYPMHGFFE-UHFFFAOYSA-N 513.015 4.809 0 40 KJAB CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 33649682 SSGFSNNZHOFQBK-CQSZACIVSA-N 507.538 4.547 0 40 KJAB COc1cccc([C@@H]2NC(=O)N(Cc3ccccc3)[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)c1OC 34910883 KPJUWBVQVFMEQP-NMMYMHLASA-N 520.529 4.782 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4cccs4)c(=O)n32)cc1 59247229 YWCAAEYBNCEMQH-XXMKCSCWSA-N 515.660 4.561 0 40 KJAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OC 59929369 ODJVHHFFGFZLQO-NDEPHWFRSA-N 544.673 4.822 0 40 KJAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)s1 89570202 XYPDJMNGHKTFKS-UHFFFAOYSA-N 515.676 4.567 0 40 KJAB COC(=O)C[C@@H](c1coc2ccc(OC)cc2c1=O)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 96116126 USOOJYAIUPMIIB-KRWDZBQOSA-N 514.486 4.681 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccccc4)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1 97966502 GSNYHXPVDFLDHD-JLHDDXNDSA-N 598.677 4.915 0 40 KJAB COC(=O)c1ccc(CSc2nnc(NC(=O)[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)s2)cc1 97982576 HIRVJHBUDFFBQR-CUIDRNPASA-N 542.727 4.913 0 40 KJAB CCOc1ccc(N(C(=O)Cn2nnc(-c3cccs3)n2)[C@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 100329425 PDHNOYPMJOHVAJ-DEOSSOPVSA-N 536.633 4.629 0 40 KJAB COc1cc(/C=C2\N=C(c3ccc(NC(=O)c4nc[nH]n4)cc3)OC2=O)ccc1OCc1ccccc1Cl 100945146 LIFQGUWGIXGDIF-MTJSOVHGSA-N 529.940 4.643 0 40 KJAB Cc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC=CCC1 101391418 PGGKRAYCCDFRFY-UTONBFNKSA-N 578.717 4.969 0 40 KJAB CN1CCC(OC(=O)c2cc(-c3cc(C(=O)OC4CCN(C)CC4)c4ccccc4n3)nc3ccccc23)CC1 102829231 ZHYYNZLAOOTRCR-UHFFFAOYSA-N 538.648 4.952 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1 103881832 NQAZZPRYXOLJBZ-NULZLWRNSA-N 551.643 4.940 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C 106756909 SSPNRXKYCAXVKH-XYGWBWBKSA-N 551.665 4.885 0 40 KJAB COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cc(OC)c(Br)cc5c4CCN3C[C@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC 150381644 DNQRVFFWTRQKQW-FDNJAUPLSA-N 687.584 4.934 0 40 KJAB CC(=O)O[C@@H]1C(=C(Br)Br)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21 150422427 YUWLLZMGRZVIOZ-KAWPREARSA-N 671.302 4.766 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC(C)C)c2cc(Cl)ccc2C)cc1 197637773 CTFBKQPTTJLNDM-UHFFFAOYSA-N 514.047 4.929 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 222536531 HKYCTHISWUGOGO-XMMPIXPASA-N 536.138 4.736 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 222564945 USZSYBIYQFXWKB-LJQANCHMSA-N 548.492 4.660 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 222877392 DROLWSAURQANHN-NRFANRHFSA-N 578.946 4.753 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 223096512 YKXKVXLDJSBESL-WJOKGBTCSA-N 629.779 4.984 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223233306 HQPDNJGXXGJWET-RBUKOAKNSA-N 617.006 4.989 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 223377340 NZNIWXOPZLJPMK-NRFANRHFSA-N 542.529 4.790 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)NCC(C)C)c2ccccc2)cc1 223449205 JRQBXMCRPFIUJW-LJAQVGFWSA-N 553.700 4.599 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223530567 ASDDIATYFPWLLW-SANMLTNESA-N 644.588 4.500 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 223558389 UUDXQANGYVDKAJ-XMMPIXPASA-N 535.710 4.615 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 223558962 UXOICWOAOAPVJO-JOCHJYFZSA-N 542.101 4.706 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 223583935 AMSGKZQLFMBGNO-LJAQVGFWSA-N 565.736 4.923 0 40 KJAB Cc1cc(NC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)ccc1N1CCCC1=O 223637736 NJHRJAADEPLKHO-UHFFFAOYSA-N 505.640 4.957 0 40 KJAB CCCc1ccc(OCCNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 223722500 QPTWLQXZRCNKQO-UHFFFAOYSA-N 577.099 4.709 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 223784316 FSOXMEDMOAMVTK-NRFANRHFSA-N 560.091 4.845 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 224017403 IJWHCJCBCCNXPV-RUZDIDTESA-N 551.709 4.861 0 40 KJAB CCOc1ccc(N(Cc2ccc(C(=O)NCc3ccc(CN4CCCCC4)cc3)cc2)S(C)(=O)=O)cc1 224533271 HGLLQMQSENZHLY-UHFFFAOYSA-N 535.710 4.967 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Br)cc1 224554730 XJCXXLDBGJOKHX-HSZRJFAPSA-N 503.437 4.703 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 224558709 JILFTSRWZRHCRB-MHZLTWQESA-N 605.588 4.773 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224596046 OZJNZZBBIZDBAU-JGCGQSQUSA-N 675.779 4.967 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)c2ccccc2C)cc1 224650696 HCRRXQREOPJXNW-QHCPKHFHSA-N 539.673 4.580 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224721036 UCZFZECWMFEWRP-RUZDIDTESA-N 595.762 4.768 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 225214256 QSTGMWCEKHNXAN-XZOQPEGZSA-N 539.673 4.661 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 225249877 IKFBORAXRJENTD-QHCPKHFHSA-N 522.111 4.528 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 225341168 FGPUSHYZPIZXAQ-RBUKOAKNSA-N 572.555 4.880 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 225354883 WSFGZFQHWILRBG-JWQCQUIFSA-N 565.736 4.839 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 225563535 OWZJVFWRUUVXDU-NRFANRHFSA-N 560.091 4.925 0 40 KJAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H]2C=C[C@@]3(c3ccccc3)[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]23)c(C)c1 245232405 VEKMBNSWEZPNBP-JFELYNLCSA-N 530.624 4.969 0 40 KJAB COC(=O)[C@@H]1[C@H](C)[C@H](OC)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H]1C 252286710 BZOQTGADCSFWHV-HKNPXBGSSA-N 697.778 4.612 0 40 KJAB CC(C)Oc1cccc(N[C@H]2CC[C@@H](C(=O)N(CC(=O)O)Cc3ccc(F)c(Cl)c3)CC[C@@H]2O)c1 257309951 UDAMENOLSGZQCO-DKLXNKCPSA-N 507.002 4.711 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)C)c1 260734054 LHZZHBSQRYYHMD-JOCHJYFZSA-N 572.127 4.794 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 260873230 FKUPVYLKGIOWJJ-VXKWHMMOSA-N 586.552 4.976 0 40 KJAB Cc1cccc(C)c1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O 260926684 VCYQCUGCGDLTPG-LJQANCHMSA-N 542.529 4.566 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1 408549027 VULCNIZSFQXZAP-UHFFFAOYSA-N 625.725 4.899 0 40 KJAB COc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 408556874 FCYVCFNDZFKNQQ-UHFFFAOYSA-N 510.490 4.541 0 40 KJAB COc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(C)cc2)cc2cc(Br)ccc21 408577686 QPUPACXZFGPWMX-UHFFFAOYSA-N 521.371 4.682 0 40 KJAB Cc1ccccc1CN(c1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)S(C)(=O)=O 408615788 SGQPGUFVFSFPDM-UHFFFAOYSA-N 531.600 4.942 0 40 KJAB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 408641548 CQCXIXHVRBDABO-GDIGMMSISA-N 501.366 4.582 0 40 KJAB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 408691002 XQPJBDPJHAMHAC-UHFFFAOYSA-N 504.153 4.777 0 40 KJAB CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(SC)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 408769085 NMYSRMNKAKFPCK-VJUHFWBYSA-N 614.745 4.599 0 40 KJAB CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2I)cc1 408781340 CJEOMXJZVMAOAP-UHFFFAOYSA-N 514.429 4.846 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408852265 RGDLEDNICKGUCH-ZRELAVNMSA-N 636.362 4.816 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(C)C)c(OC)c3)c(=O)n2[C@H]1c1cccs1 408916809 ZFPBDDOSZJWHNF-VEOZPNHKSA-N 560.697 4.793 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cccc(Cl)c1 408925821 QSPGXPSYDYLDRV-UHFFFAOYSA-N 561.991 4.564 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)c(Br)c4)c(=O)n32)c(OC)c1 408981057 YOFSEJNSUWWECL-MFCBUNOESA-N 620.525 4.662 0 40 KJAB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2cccc(Cl)c2C)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 408986498 CPLMVCFRJJMAPR-HSZRJFAPSA-N 548.061 4.884 0 40 KJAB COc1ccc(OC)c(NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1 409004863 FTTKQDKIPSSFJA-UHFFFAOYSA-N 527.401 4.979 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409029155 YFAAKJPESVRUIB-UHFFFAOYSA-N 519.019 4.898 0 40 KJAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4cccc(C)c4)c(OC)c3)c2=O)=N1 409039833 SHAOJIYZLRJDHS-LAUBZIAYSA-N 554.668 4.694 0 40 KJAB CCOc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc(CC)cc2)C(=S)N1CC(=O)OC 409058570 YVNDTJMZTHIDBW-UYRXBGFRSA-N 503.418 4.558 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)CC1 409065381 RQXUHRXVCCNRCM-UHFFFAOYSA-N 524.514 4.974 0 40 KJAB CCc1cccc2c(/C=C3\SC(=O)N(CCCc4ccccc4)C3=O)cn(CC(=O)NCCOC)c12 409132981 YWAPWIFERFVGQZ-ULJHMMPZSA-N 505.640 4.635 0 40 KJAB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)N(CC)CC)c4ccc(Br)cc34)NC2=S)cc1 409144886 HBCLVCVRXQHMNY-XKZIYDEJSA-N 555.498 4.933 0 40 KJAB O=C(COc1ccc(N2C[C@@H](C(=O)NCc3ccccc3)CC2=O)cc1)Nc1cccc(Cl)c1Cl 409150128 AHXTUZPXSQVRDX-SFHVURJKSA-N 512.393 4.680 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCCC4)c4ccccc34)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409169816 RVEFLKITKQFWQS-NAKLGTERSA-N 634.758 4.537 0 40 KJAB Cc1ccc(C(=O)O[C@H](C(=O)Nc2cccc3ccccc23)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409381378 FSRALHMKKPPVBE-IZZNHLLZSA-N 511.530 4.931 0 40 KJAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409401714 ZELDOPFGJDEGFZ-MTJSOVHGSA-N 567.982 4.537 0 40 KJAB COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CSc2nnc(-c3ccccn3)n2-c2cccc(OC)c2)c1 643913314 QLIJLDWPUBAPOF-PFDVPNPJSA-N 790.984 4.676 0 40 KJAB COc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=S)N[C@@H](C)c3ccccc3)cc2c1 1224605 XHPJFINQRDOCPC-SFHVURJKSA-N 501.608 4.903 0 40 KJAB CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1)c1ccccc1 3216418 CCPZIGJNCZSVLX-UHFFFAOYSA-N 525.030 4.605 0 40 KJAB O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)C1(C(=O)Nc2ccc3c(c2)OCO3)CCCCC1 8713051 KSEDGJMQXYKBIS-UHFFFAOYSA-N 529.572 4.670 0 40 KJAB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4Br)cc3)CC2)c1 8903361 FXCMQXSKZPDIFY-UHFFFAOYSA-N 524.415 4.681 0 40 KJAB COc1ccc(OC)c([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)c1 13028802 KEHKTEURIGMLGE-LJAQVGFWSA-N 527.625 4.672 0 40 KJAB COc1ccc(CN2C(=S)N(Cc3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)cc1OC 13659733 NDQAUFMXBPZLQZ-JOCHJYFZSA-N 524.042 4.884 0 40 KJAB CCOc1ccccc1CCCNC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 13674433 GMWGJMRMRAQHKB-UHFFFAOYSA-N 501.048 4.991 0 40 KJAB CCCOc1ccc(N2C(=O)[C@H]3ON([C@@H](CC(=O)O)c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 13757859 ATDHMUDZGKYGBE-KMQNXVAFSA-N 500.551 4.538 0 40 KJAB CCN1CCN(c2ccc(NC(=S)NC(=O)c3cc(Cl)c(OC)c(Cl)c3)cc2Cl)CC1 16681550 CPCRUJLSOCPSSQ-UHFFFAOYSA-N 501.867 4.924 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3ccnc3)cc2)c2cccc(Cl)c2C)cc1 20044320 MVKCGJPARKOKBA-UHFFFAOYSA-N 509.031 4.654 0 40 KJAB CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2cccc(C)c2C)CC1 20079529 UYEXXZWHJJELLZ-MHZLTWQESA-N 513.690 4.805 0 40 KJAB COc1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C(=O)c4cc(Cl)ccc4OC)CC3)cc2)cc1 21579904 VGCYJRFEXSNNMF-LHHJGKSTSA-N 506.002 4.972 0 40 KJAB COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 28627809 RYODZFCOBCEYEM-OWXSRONMSA-N 516.022 4.536 0 40 KJAB COc1cc2c(c(Cl)c1O)Oc1c(cc(OC)c(O)c1Cl)C21OC(=O)c2ccc(C(=O)O)cc21 38405216 IDLISIVVYLGCKO-UHFFFAOYSA-N 505.262 4.688 0 40 KJAB in-vitro CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(Cl)c(C(F)(F)F)c1 59652426 DOUXXKUBNVQKBI-UHFFFAOYSA-N 531.984 4.826 0 40 KJAB COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CCSC)C(=O)O)C(=O)N32)cc1 70707173 PWNUYYGIBZFDGP-MPYJOUPCSA-N 598.681 4.596 0 40 KJAB biogenic BrC(Br)(Br)C(Br)(Br)Br 72131380 POJPQMDDRCILHJ-UHFFFAOYSA-N 503.446 4.663 0 40 KJAB in-vitro CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[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 84670401 CPVAKQVYNLPUBL-MSLCHGNTSA-N 592.858 4.820 0 40 KJAB biogenic COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)N1CCN(c2cc(Cl)ccc2C)CC1 97951093 JYNRWUAJNOTIRF-HNNXBMFYSA-N 533.854 4.828 0 40 KJAB C[C@H](c1nc(NC2CCCCC2)c2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC1 100036017 NSLDTHLEJRFVLB-JOCHJYFZSA-N 545.713 4.628 0 40 KJAB COc1ccc(C)cc1N(C(=O)Cn1nnc(-c2ccccc2F)n1)[C@H](C(=O)NC1CCCC1)c1cccs1 100289317 ZSQBPWZUVRYDAP-SANMLTNESA-N 548.644 4.691 0 40 KJAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2C=CC3(c3ccccc3)[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]23)c(C)c1 100503964 VEKMBNSWEZPNBP-JTOYFUBISA-N 530.624 4.969 0 40 KJAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(C(=O)NCc4ccccc4Cl)cc3)c(=O)c3ccccc32)cc1 101332550 KRKJDRRUJVLZEP-UHFFFAOYSA-N 567.045 4.742 0 40 KJAB CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCN(c3ncccn3)C[C@@H]12 101391725 JEDDVLSLVILIFJ-RCZVLFRGSA-N 537.849 4.553 0 40 KJAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)[C@@H](CCSC)NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 103018934 NCTBYXWMNJBOIA-HSZRJFAPSA-N 593.702 4.874 0 40 KJAB CCOC(=O)c1c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)sc2c1CCCC2 108933867 AOTAOTRHMLXYMP-UHFFFAOYSA-N 558.678 4.898 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 222603021 DQWCKFTYHVLCCD-MHZLTWQESA-N 574.118 4.657 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NC)S(C)(=O)=O)cc1 222637334 SBJSCYRSUYUSTB-NDEPHWFRSA-N 630.605 4.780 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C 222707106 TYQYRHPKPIATLX-FQEVSTJZSA-N 555.663 4.892 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3C[C@H](C(=O)NCc4ccccc4)Oc4ccccc43)c(C)c2)cc1 222808133 MQQXIZWONYLVDM-WJOKGBTCSA-N 615.708 4.684 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 222930254 NIKTWZWSTCZSIS-NDEPHWFRSA-N 535.710 4.867 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223002619 AXNAPGJIVOSEDT-XMMPIXPASA-N 581.735 4.541 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223126279 IFHDSLOJHJTOPY-NDEPHWFRSA-N 570.155 4.971 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 223222230 XDJVSPVHWSYNGB-ZWKOTPCHSA-N 572.953 4.509 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 223262296 DJHYZRRXYRSICG-VWLOTQADSA-N 515.720 4.572 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223289773 UYASKLLUWYQIFW-RUZDIDTESA-N 578.518 4.751 0 40 KJAB COc1cc(C)c([C@H](C)NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)cc1C(C)C 223297533 MPVYREUFDVBFRS-KRWDZBQOSA-N 511.482 4.841 0 40 KJAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C(=O)NCc2cccnc2)c2ccccc2)cc1OC 223323520 DXIVNJGBZRLJRF-PMERELPUSA-N 509.606 4.728 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 223791039 TWKQRKMSVDJSPH-NRFANRHFSA-N 587.739 4.695 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O 224399963 SHLRWQCLWMOMNL-INIZCTEOSA-N 578.946 4.611 0 40 KJAB Cc1ccc(OCCNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3cc(C(C)(C)C)ccc3O2)cc1C 224499994 HOBBCEGJYIYCFE-HHHXNRCGSA-N 522.667 4.752 0 40 KJAB COCc1cccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(C(C)(C)C)ccc3O2)c1 224522654 GSROCOFEVALEGD-SANMLTNESA-N 524.639 4.734 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC(C)C)c2ccccc2OC)cc1 224690023 CXIZJHHFZAZIBX-NRFANRHFSA-N 632.577 4.604 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 224726273 KMGMFKOPOAADED-VWLOTQADSA-N 550.165 4.983 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 224865732 MRHBSVMQILWCDB-QFIPXVFZSA-N 564.482 4.617 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)Nc1nnc(SC(C)C)s1)S(=O)(=O)c1ccccc1 224923635 YYFRDDGQBSLCQR-UHFFFAOYSA-N 513.066 4.535 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 224985893 QDYCPJJHTMWULM-DEOSSOPVSA-N 581.735 4.541 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 225016520 QZWWZBZEPZWIGD-VWLOTQADSA-N 534.122 4.671 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc4c(c3)sc(=O)n4C)Oc3ccc(C(C)(C)C)cc32)cc1 225054938 UHXSVMMUUAWXGL-DEOSSOPVSA-N 551.690 4.801 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 225095322 IQOADWFUOFPNAQ-MUUNZHRXSA-N 557.757 4.806 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(Br)cs2)cc1C 225260771 PQNAKOLUEVOBAQ-LEWJYISDSA-N 517.474 4.976 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 225286994 FZWKRNAQQIQTQU-HHHXNRCGSA-N 500.639 4.947 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 225328052 MFCWHZISTJPADO-JOCHJYFZSA-N 518.441 4.703 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccc(F)c(F)c1 225381128 WZGOOIDAHIVQFX-LJAQVGFWSA-N 601.691 4.959 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 225384921 OGNXUZHIWAUCBG-LOSJGSFVSA-N 565.736 4.839 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 225533780 VQTSUOJDLCQFCL-MUUNZHRXSA-N 647.611 4.757 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 225717780 IQKQWZSIRGOTKO-VGOFRKELSA-N 568.523 4.640 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 225754161 HKYHLXBZZUWESG-NDEPHWFRSA-N 588.145 4.966 0 40 KJAB O=C1[C@@H]2[C@@H](N=NN2CC(=O)N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccccc2)C(=O)N1c1cccc(Br)c1 245227579 JZYYICPGIGFNHW-CAOCKLPOSA-N 636.304 4.883 0 40 KJAB CC1(C)CC2(CCN(CC(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)CN1S(=O)(=O)Cc1ccccc1 257255660 KIJJKRKQPCMONZ-UHFFFAOYSA-N 548.709 4.909 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 260757861 COQKQCZQWKITIW-LJQANCHMSA-N 554.540 4.934 0 40 KJAB Cc1c(Cl)cccc1N(CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 260759591 FLXWQANZJPCGIT-HXUWFJFHSA-N 552.112 4.810 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC)c2ccc(C)cc2)cc1 260765668 RBRNCQKWTMCMIL-OAQYLSRUSA-N 602.551 4.515 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCCC1)c1ccc2c(c1)OCO2 260778734 IPSZRIUNUAHBSH-GOSISDBHSA-N 598.549 4.744 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)c1 260787057 KWCOWHWUDJAIGD-GOSISDBHSA-N 570.539 4.634 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)N[C@H](C)CC)c2ccc(F)cc2)cc1 260920268 GOJQJXFMKJVCQM-RPWUZVMVSA-N 583.726 4.794 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 261090181 SZPRKYIODSUERA-YADHBBJMSA-N 536.138 4.835 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 261125912 ZXPLAHSPAAIEBN-SFTDATJTSA-N 662.578 4.887 0 40 KJAB C[C@H](C(=O)Nc1ccccc1C(=O)NCc1cccnc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 408616880 CQCAHOLDTBYKGK-OAQYLSRUSA-N 544.633 4.597 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Br)c(C)c2)cc1 408675079 QVRREMBDDYSAOP-UHFFFAOYSA-N 505.390 4.584 0 40 KJAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(O)c(OCC)c3)c2=O)=N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 408732105 SBFMYSBZNBUYCL-SJXDCSIJSA-N 600.693 4.599 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)cc3)c2=O)=N1 408862615 HXJWAKYGLJQKJR-KAEGSSFASA-N 626.687 4.584 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCC)c(Cl)c4)c(=O)n32)cc1OCC 408935288 NFXJZFXHGPBAFS-TYBHGIAWSA-N 577.486 4.521 0 40 KJAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NCc1ccccc1Cl 409003458 GXMULJAJKADVMP-UHFFFAOYSA-N 521.864 4.652 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)c2=O)=N1 409050618 XVFQOEXYRCIFSE-BIWBSIMWSA-N 633.520 4.838 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409069317 ILHFACCCAZQBCD-SLDJAQPHSA-N 533.002 4.662 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409075282 YJCVHKIDHGRSBO-UHFFFAOYSA-N 521.422 5.000 0 40 KJAB CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1Cl 409088213 WEABCKUXRQAEDQ-ABBNRAPFSA-N 560.075 4.935 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c2=O)=N1 409150970 FONBXQLSBOCEHS-UFKHLRDRSA-N 640.806 4.515 0 40 KJAB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1OCC(=O)N1CCCC1 409176064 XVXRUOARDCDAFF-XCQFLATRSA-N 657.192 4.927 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409266075 OKGDJRFNPKTBBN-UHFFFAOYSA-N 538.544 4.955 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCC(C)CC4)o3)c(=O)n2[C@H]1c1cccs1 409270902 BIIXJPBVMXNLMQ-VDBPHUHZSA-N 559.713 4.826 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc(I)c1O 409273246 JJILIRLZQVSOGE-VCHYOVAHSA-N 552.390 4.687 0 40 KJAB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(I)cc3)C2=O)cc1Cl 409274586 PYWKSMHQWSCTKM-PXNMLYILSA-N 528.755 4.628 0 40 KJAB CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 409354951 BDOIMEOTDIRDJQ-QGZVFWFLSA-N 547.512 4.537 0 40 KJAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(Br)c(C)c1 409366948 XZWFVKRDHLGCIB-UHFFFAOYSA-N 502.438 4.589 0 40 KJAB COc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(Br)cc1OCC(=O)Nc1ccccc1 409391459 IDLBUXTUFOICDF-MSXFZWOLSA-N 564.461 4.862 0 40 KJAB Cc1cc2c(cc1S(=O)(=O)NC(=O)c1ccc3c(c1)[C@@H]1O[C@H](c4ccccc4)CC[C@H]1C(C)(C)O3)OCC(=O)N2 585280972 UOOOCZXTRUMACY-CNISOWAESA-N 562.644 4.825 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3cccc4ncccc34)CCO2)C1=O 643556932 RJQFOJKNKSBHNM-WJOKGBTCSA-N 515.654 4.880 0 40 KJAB O=C(COCCOCC(=O)OCCOCC(=O)Oc1c(I)cc(Cl)c2cccnc12)OCCOCC(=O)Oc1c(I)cc(Cl)c2cccnc12 2061000083 GBNWTGGLQYIRGF-UHFFFAOYSA-N 957.292 4.963 0 40 KJAB CC1(C)CC2(CC(C)(C)N1)OC(=O)N(CCNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@@]2(C)O 709395 UKRUUTLIXVECBW-PMERELPUSA-N 545.765 4.876 0 40 KJAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)[C@@H]2COc3ccccc3O2)o1 931107 WVXRGQDTWYUQDU-WUFINQPMSA-N 532.593 4.676 0 40 KJAB CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)CC(=O)N21 2109856 KMMAAIAPVTWAHV-VVFBEHOQSA-N 539.632 4.511 0 40 KJAB biogenic CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C\c3cc(OC)ccc3OC)c2=O)=N1 2149330 PVEOVDDVJXVXBK-JQTKYWOZSA-N 572.683 4.758 0 40 KJAB O=C(NCCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 2190369 RVNQGBQBTQGUTJ-UHFFFAOYSA-N 558.726 4.963 0 40 KJAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1cc(Cl)c(O)c(OC)c1 8443522 PBVBCQYWUJWNTM-DQARITGZSA-N 621.111 4.754 0 40 KJAB CSCC[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCC(=O)c1ccc(Br)cc1 8444673 CSQSYFBQXCJRTI-XOQVKLMPSA-N 508.478 4.629 0 40 KJAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c(F)c1F 8894896 WDLPBLVQFDDQSX-UHFFFAOYSA-N 509.872 4.766 0 40 KJAB C[C@@H]1CCCC[C@H]1N(Cc1ccccc1F)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 9203453 JOAFAYQDVNZLCR-CJFMBICVSA-N 508.681 4.770 0 40 KJAB COc1ccc(OC)c(NC(=O)CSc2[nH]c(-c3ccccc3)nc2S(=O)(=O)c2ccc(C)cc2)c1 12252612 JOOFPONHTIPCTJ-UHFFFAOYSA-N 523.636 4.966 0 40 KJAB COc1cccc(NC(=O)COC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 12311996 FCIXHAXUDHKZEV-UHFFFAOYSA-N 502.445 4.527 0 40 KJAB CCOc1ccccc1N(CC(=O)NCCSCc1ccco1)S(=O)(=O)c1ccc(SC)cc1 14155072 UTLCCQKWZMXZLT-UHFFFAOYSA-N 520.698 4.645 0 40 KJAB COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N(CCc1ccccc1)Cc1ccccc1 20083619 PEAYRXDQTQSAJL-GDLZYMKVSA-N 522.653 4.612 0 40 KJAB COc1ccc(C)cc1NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 44792879 AECQMDZZTZBPPX-UHFFFAOYSA-N 503.418 4.909 0 40 KJAB CCOc1ccccc1N(CC(=O)NCc1ccc(CN2CCCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 44873668 XBSZMOSUNOJRCC-UHFFFAOYSA-N 535.710 4.891 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 59883230 DWZWXOWEZQVSJS-UHFFFAOYSA-N 609.726 4.955 0 40 KJAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 100353279 WQWUZOIEUXKCCY-NAKRPHOHSA-N 596.043 4.936 0 40 KJAB COc1ccc(CNC(=O)[C@H](c2ccc(C)cc2)N(Cc2ccccc2)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 100391396 PASANKZYBJWURJ-XIFFEERXSA-N 627.763 4.725 0 40 KJAB COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)CNC(=O)c2cccs2)c2ccc(Cl)cc2)cc1OC 100414437 DVYDUWJUTDMPKE-DEOSSOPVSA-N 544.073 4.838 0 40 KJAB COc1ccc(-c2ccc(OCCNC(=O)c3cc4cc(Br)cc(Br)c4oc3=O)nn2)cc1 101132440 GMXZGLNBTHWQRJ-UHFFFAOYSA-N 575.213 4.592 0 40 KJAB COc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)Nc4ccc5c(c4)OCO5)S3)[C@@H](c3ccccc3)C2)cc1 101958514 NIPUPSVMESGDDN-RCZVLFRGSA-N 528.590 4.602 0 40 KJAB CCOc1ccc(C(=O)CSc2nc3cc(C(=O)NC[C@@H]4CCCO4)ccc3c(=O)n2Cc2ccccc2)cc1 102177218 WROCZQBWWAZDJW-VWLOTQADSA-N 557.672 4.727 0 40 KJAB CCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NCc4ccc(OC)cc4)C(=O)N23)cc1 102744993 RLXROIGLJZANOR-AREMUKBSSA-N 585.686 4.521 0 40 KJAB COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2N=N[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)cc1 102819952 MNJMXAATCRDCLC-BKHJTQGXSA-N 558.598 4.520 0 40 KJAB CC(C)CCN1C(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Oc3ccc(F)cc3)cc2C1=O 103016385 FHOPMNWDIVLLSL-UHFFFAOYSA-N 595.649 4.533 0 40 KJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c1 103033466 CWDINCKFLNMOBU-UHFFFAOYSA-N 585.748 4.567 0 40 KJAB O=C(Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O)Nc1ccc(OCc2ccccc2)cc1 103064787 QQPVFDRHRBHVJJ-UHFFFAOYSA-N 549.631 4.741 0 40 KJAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)sc2c1CC[C@@H](C)C2 103127259 OZDANIUJKKIFRZ-GOSISDBHSA-N 610.685 4.880 0 40 KJAB CCCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 103466409 XRWJLJNUWHFRBB-AYSDUGFZSA-N 599.728 4.877 0 40 KJAB COc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)CSc3nnnn3Cc3ccccc3)cc2s1 103771120 ORVZAXAHKTZGLZ-UHFFFAOYSA-N 577.717 4.801 0 40 KJAB COc1ccc(Br)cc1C(=O)NC(=S)Nc1cc(C)c(I)c(C)c1 105355570 YBEJBIADYPLVFF-UHFFFAOYSA-N 519.202 4.806 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)C1=O)N1CCCC1 106765245 SQIMVMDYCGSVMQ-NDENLUEZSA-N 519.392 4.826 0 40 KJAB COc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1Cl 107934239 UIRGHDFWVFOXCF-UHFFFAOYSA-N 501.432 4.973 0 40 KJAB COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 161976144 SOCUICDYIWLQKY-UHFFFAOYSA-N 622.339 4.902 0 40 KJAB CSc1ccc([C@H](C)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1 216072526 SCDMITPZMMKHQZ-GAJHUEQPSA-N 533.513 4.938 0 40 KJAB COC(=O)c1cn(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)c2ccccc12 222608838 ONFWCINLIVLIRX-MRXNPFEDSA-N 509.411 4.617 0 40 KJAB CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC)c(Br)c1 222669154 NFIMJIBUFJQODA-ZDUSSCGKSA-N 502.236 4.860 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 222684086 JJOMDCQMRQGCFK-MHZLTWQESA-N 556.128 4.518 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 222805857 UXYPHBRENQMQSL-DEOSSOPVSA-N 582.937 4.799 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc3ccccc23)c2cc(C)cc(C)c2)cc1OC 222841629 RJISCSQNEPERJA-UHFFFAOYSA-N 518.635 4.986 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 222957071 BXJQRNVSQGZEKO-RUZDIDTESA-N 535.710 4.832 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 222980070 UHAIKNMYHSVPDE-LJQANCHMSA-N 542.529 4.873 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 223073630 MUBGRYJGMNWYQE-HSZRJFAPSA-N 569.699 4.672 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 223211554 GYPDASNHTGIUHN-MRXNPFEDSA-N 548.920 4.746 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223432961 JGFBABCKDCLHNV-SSEXGKCCSA-N 633.742 4.814 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223449161 OSSXHBHUPDKHAD-NEKDWFFYSA-N 600.181 4.978 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 223473043 ULGSWMRUFTYCIP-DEOSSOPVSA-N 551.709 4.533 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 223519633 NULOGAOQVRGUEY-RBISFHTESA-N 603.160 4.647 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 223873070 OVQZXOKNOIJJMN-IBGZPJMESA-N 542.529 4.710 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223899292 BGWNAAARWONPDR-CYBMUJFWSA-N 555.311 4.620 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223943685 XJDYCHWIKGNOOX-ZDUSSCGKSA-N 555.311 4.620 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 223953549 LSRMHDMSMPFPQZ-JOCHJYFZSA-N 616.578 4.905 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 224019297 KTPCBXFXUNSKIK-QFIPXVFZSA-N 567.683 4.506 0 40 KJAB COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 224085735 HINWQOVFNWLSGJ-VWLOTQADSA-N 577.747 4.718 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 224157729 JSOUMKAQGONGDD-NDEPHWFRSA-N 551.709 4.533 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 224363499 VMNPOVQQQBJTLY-NDEPHWFRSA-N 569.699 4.672 0 40 KJAB CC(C)c1ccc(N(CC(=O)NCc2cccc(CN3CCCC3)c2)S(=O)(=O)c2ccccc2)cc1 224593462 VKRJLGLXGTTXJW-UHFFFAOYSA-N 505.684 4.918 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 224678553 BIUCHOUSSIFYLK-VWLOTQADSA-N 536.138 4.809 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225025587 XNSBRNYNNIKMEE-MHZLTWQESA-N 658.615 4.889 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 225406502 WCTHVJPUVKJBCL-HHHXNRCGSA-N 581.735 4.541 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1Br 225413248 ZRTREFZCGNTLDV-HXUWFJFHSA-N 511.844 4.824 0 40 KJAB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)ccc1NS(C)(=O)=O 225436998 MUGVDUHJBPQOHP-RPBOFIJWSA-N 520.636 4.899 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 225437007 ZCFXDXKEWIOUPT-LOSJGSFVSA-N 565.736 4.573 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 225643380 JGMJGHHKDVPDCN-NDEPHWFRSA-N 630.605 4.780 0 40 KJAB CC(C)c1nccn1CCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(=O)N2CCCCC2)C1 257280957 ONBVZCFPSUESEM-URXFXBBRSA-N 501.071 4.749 0 40 KJAB COc1cccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c1 260775653 HVIFPROBUZTAGO-RUZDIDTESA-N 577.747 4.799 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)c2cc(C)cc(C)c2)cc1OC 260907725 WVFWTHOJGWCTRA-HSZRJFAPSA-N 599.725 4.597 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 260986245 BWHVYHKFXAJRKF-SFTDATJTSA-N 662.578 4.887 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)N[C@@H](C)CC)c2ccccc2)cc1 261005588 SLVQJKOAYZIUPV-XZOQPEGZSA-N 569.699 4.752 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 261032631 JSBNLQKENZWUDM-VXKWHMMOSA-N 646.604 4.994 0 40 KJAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(I)cc2)cc1OC 408563148 JSQYRHJZALCVMJ-UHFFFAOYSA-N 530.362 4.533 0 40 KJAB Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c(Br)c1 408582215 VWLAQSYGTQJFPO-UHFFFAOYSA-N 583.826 4.733 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl 408590438 GVCPBSHBEGEIDZ-OAHLLOKOSA-N 521.422 4.929 0 40 KJAB CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc(Cl)c(Cl)cc1Cl 408629528 CTVAZPLPVYAMFW-UHFFFAOYSA-N 544.810 4.780 0 40 KJAB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccco4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408641413 KMCWBBXMIKXORN-VSDWSMLSSA-N 548.979 4.814 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Br)c3)c(C)c2)cc1 408674619 CQXPQWCETLLOQQ-UHFFFAOYSA-N 505.390 4.584 0 40 KJAB Cc1ccccc1NC(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408687248 ONYGUMCLQYNUAA-XVLRFGCZSA-N 536.628 4.784 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 408860118 SNCOHWUGMYGKKT-PIXWUVMMSA-N 649.121 4.746 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cccs2)n2c(s/c(=C/c3cc(Br)c(I)o3)c2=O)=N1 408861378 REFKKPPPUJTWIX-OBHPCNEJSA-N 633.327 4.600 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(Cl)cccc3Cl)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408934334 BZOOLVPYBCCTQF-QCHPHUCNSA-N 531.461 4.892 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1 408997042 GBJXAKUEVGRDBK-VLOXRPPESA-N 606.336 4.722 0 40 KJAB COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 409009689 HMUQCUPYDVROHH-UDWIEESQSA-N 540.345 4.712 0 40 KJAB CCc1ccc(N(CC(=O)Nc2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 409027234 BCRPURZUXPHSHI-UHFFFAOYSA-N 520.392 4.688 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2F)C1=O)Nc1ccc(N2CCOCC2)cc1 409145908 QNWURTMNFZAPNG-YZSQISJMSA-N 547.608 4.916 0 40 KJAB COc1cc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(C)=O)C(=O)O2)cc(OC)c1OC 409190418 MTGHFIKOESIKTR-UUASQNMZSA-N 555.175 4.507 0 40 KJAB CCC(=O)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2cccc(OC)c2)OC1=O 409193848 MHBVYXUHTCRZRD-SXGWCWSVSA-N 509.150 4.880 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccc(C(C)C)cc2)cc1 409270972 IZEHPTRSKAOBLQ-UHFFFAOYSA-N 555.722 4.737 0 40 KJAB COC(=O)c1cc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)ccc1Cl 409320652 BUCISRAMRAVKPF-UHFFFAOYSA-N 523.394 4.623 0 40 KJAB CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl 409351316 SNTRMUSOWDMXFI-KRWDZBQOSA-N 507.085 4.964 0 40 KJAB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)Nc2ccc(Br)cc2)c1 409379269 WKAAGYHVOMSPNQ-YADHBBJMSA-N 540.366 4.540 0 40 KJAB CCOc1ccccc1CN1CCC2(CCCCCOC[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC2=O)CC1 643578684 FUVZWBVPANAXIT-SVBPBHIXSA-N 527.750 4.780 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(CCc2ccccc2)C(=O)[C@H]2COc3ccccc3O2)cc1 888244 FEXATXOIMWSQRS-WDYNHAJCSA-N 514.622 4.706 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(C(=O)c1snc(C(=O)NC2CCCCC2)c1N)c1cccc(F)c1 906672 QYGYBRDKHTVWAV-OAQYLSRUSA-N 529.682 4.801 0 40 KJAB CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccccc1OC)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1325159 QJASCEWPVJKDGI-HSZRJFAPSA-N 532.645 4.593 0 40 KJAB COc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(Br)cc4)cs3)cc2)nc(OC)n1 1895849 MNUUGDGTIXCBIP-UHFFFAOYSA-N 548.444 4.924 0 40 KJAB COc1ccc([C@H]2[C@H](C(=O)OC(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)OC2(CCCCC2)OC3=O)cc1OC 1898998 VTNNDIVEQRISJU-JIMJEQGWSA-N 576.646 4.649 0 40 KJAB CC[C@@H](C)n1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 3262572 AWSMIGBLYAUZTO-QGZVFWFLSA-N 519.668 4.817 0 40 KJAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)COC(=O)c3cccc(S(=O)(=O)NC)c3)cc2)cc1 3323077 CBPJNHHZGZOCHV-UHFFFAOYSA-N 510.612 4.870 0 40 KJAB CCOc1ccc(-n2c(SCc3nc(CC(=O)Nc4ccccc4OC)no3)nc3ccccc3c2=O)cc1 3401706 LSWKPPRRZPTXPG-UHFFFAOYSA-N 543.605 4.650 0 40 KJAB COc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)cc1 6924840 PLYGGAVOIDGXFK-MUUNZHRXSA-N 539.588 4.642 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 8424785 IUMLTFUAASWFOK-DIXABZHVSA-N 610.473 4.565 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCCOc3ccc(C)c(C)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 8492384 JUDNDYRMSSTWLX-UTAOYMJKSA-N 628.747 4.890 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NC(=O)c3ccccc3Cl)c(=O)cc1[C@@H](NC(C)=O)CC2 8791768 COKZBWCUDQXGST-NRFANRHFSA-N 522.985 4.769 0 40 KJAB biogenic CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)CC)CC3)c(Cl)c2)c1 8897087 FKIUDOZJRBVWRX-UHFFFAOYSA-N 503.068 4.704 0 40 KJAB COCCCNC(=O)CSc1[nH]c(-c2cc(OC)c(OC)c(OC)c2)nc1-c1ccc(Cl)cc1 9674170 DYWIRUNZRCVFMT-UHFFFAOYSA-N 506.024 4.668 0 40 KJAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc(Oc2ccccc2)cc1 12561205 UKDWBILPPWKXOB-UHFFFAOYSA-N 521.639 4.742 0 40 KJAB COC(=O)c1cc(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)ccc1Cl 19855919 DHLNLWTYQRMBJO-UHFFFAOYSA-N 507.395 4.999 0 40 KJAB CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 57642132 DHYHCTKFJQNOFM-IZZNHLLZSA-N 500.647 4.506 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 59834477 HQRIYZTWBXPVMX-HSZRJFAPSA-N 545.057 4.834 0 40 KJAB COc1cc(NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c(OC)cc1Cl 59929002 DVHYAGPXQVTIMJ-UHFFFAOYSA-N 539.437 4.994 0 40 KJAB COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)C[C@H]4c2cc(OC)c3c(c2)OCCO3)cc1 85879638 QYQLVKREKUVBHE-SFHVURJKSA-N 516.502 4.698 0 40 KJAB biogenic CCOc1ccccc1C(=O)[C@H]1[C@H]2CCCN2[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@]12C(=O)Nc1ccccc12 97956564 IQUHXFHRBYUFTH-FXPZQQRVSA-N 528.008 4.753 0 40 KJAB COc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NCc2ccco2)CC1 98009674 BNVLOCHXGLYKDA-UHFFFAOYSA-N 560.676 4.852 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c1C 100088313 WGAVVOWCMFSUQC-UHFFFAOYSA-N 578.428 4.610 0 40 KJAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(Br)cc2)n2c(s/c(=C/c3ccoc3)c2=O)=N1 101070999 FZUMCLMHZQNJCF-FJWZAKCXSA-N 534.435 4.538 0 40 KJAB CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)cc1 101502896 GYPRMQYUNZYARE-DEQYAXRXSA-N 502.996 4.596 0 40 KJAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 102958366 PEKDNJQYTGRONA-UHFFFAOYSA-N 604.921 4.721 0 40 KJAB CCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)OC)ccc2N2CCN(C(=O)c3ccccc3)CC2)cc1Cl 104084934 UTFLCUDPYXLWNG-UHFFFAOYSA-N 581.094 4.615 0 40 KJAB 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BDHJVVTUZUFSDP-FQEVSTJZSA-N 508.640 4.655 0 40 KJAB CCC1(CC)C[C@@H](NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c2ccccc2O1 223009113 GBACMNAYZPUSMD-YKSBVNFPSA-N 500.661 4.710 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223009204 RMJVVDTWKYGANF-NRFANRHFSA-N 662.603 4.614 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 223123543 SKBPHZDJABGGAT-HHHXNRCGSA-N 556.128 4.662 0 40 KJAB CC[C@@H](NC(=O)c1ccc(CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 223130948 XZDSTERJLSNWFL-RUZDIDTESA-N 528.696 4.554 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 223320836 RAOPMGYCDISJHZ-LJQANCHMSA-N 542.529 4.873 0 40 KJAB O=C(NCc1ccncc1)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223328059 YGPPLVGISCJYJE-YTTGMZPUSA-N 582.726 4.541 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223352224 BJOLUCCIPKPTMS-DEOSSOPVSA-N 608.544 4.759 0 40 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CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1C(=O)N1CCCC1 408714600 JEOREWBSRMFQAW-UHFFFAOYSA-N 566.126 4.900 0 40 KJAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c2=O)=N[C@H]1c1ccc(O)c(OCC)c1 408732793 ZDYNCHYKQYYPFB-SJXDCSIJSA-N 600.693 4.599 0 40 KJAB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(OCC(=O)O)c(OC)c2)C1=O 408864884 ABJRBYLQOGCLMY-IDUWFGFVSA-N 574.917 4.514 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OC)c(Cl)c3)c(=O)n2[C@@H]1c1cccs1 409018734 TYRJZIDBKQQMMA-INJUALFYSA-N 537.062 4.659 0 40 KJAB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)ccc4OC(C)C)c(=O)n32)cc1 409023759 OTMOLVCKHLDAJE-ZDGAQAAHSA-N 585.520 4.745 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cc(Br)ccc3O)c2=O)=N1 409031071 GGYXEBDJEBWRTA-YOKWNPFVSA-N 591.911 4.709 0 40 KJAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Br)c2)C1=O 409099683 SUFGFXJQEGMKBH-VXLYETTFSA-N 551.390 4.594 0 40 KJAB CC(=O)Nc1ccc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 409125787 ABMMEEHXBXQGGU-UHFFFAOYSA-N 516.417 4.550 0 40 KJAB O=C(O)COc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1I 409218276 ZWDSMPADTSBLFN-VIZOYTHASA-N 515.712 4.649 0 40 KJAB CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1OC 409272735 OLGCUERSRYITLX-JAIQZWGSSA-N 533.002 4.582 0 40 KJAB Cc1cc(NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1I 409337191 RKNOKVRDJVHUSE-IBGZPJMESA-N 510.372 4.648 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccccc2SC)cc1Cl 409389177 GNYJFXQNPPNFBW-UHFFFAOYSA-N 505.061 4.943 0 40 KJAB Cc1onc(C(C)C)c1C(=O)N1CCO[C@](COc2ccc(F)cc2)(CC(=O)N(C)Cc2ccccc2)C1 585286328 OAYDTTWCJLMTQU-GDLZYMKVSA-N 523.605 4.584 0 40 KJAB Cc1onc(C(=O)N2CCC3(CCCCc4ccccc4OCCN(Cc4ccncc4)C3)CC2)c1CN(C)C 643569163 XXGWRJDHRZHJCA-UHFFFAOYSA-N 545.728 4.970 0 40 KJAB Cc1c(NC(=O)c2nn3c(c2Cl)N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)c(=O)n(-c2ccccc2)n1C 866940 OBQMETUZRKGQLJ-ZBFHGGJFSA-N 520.899 4.840 0 40 KJAB COc1ccc(Cl)cc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCc1ccco1)c1ccc(C)o1 1339186 QZJYUABMIBQUHO-AREMUKBSSA-N 533.972 4.679 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)N(Cc3ccc(OC)cc3)Cc3cccnc3)cc2c1 1382447 CYZIJNOBAZDLMH-PMERELPUSA-N 561.646 4.914 0 40 KJAB CCOC(=O)c1ccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1 1448080 ZCFMXHKSBIIZRQ-UHFFFAOYSA-N 507.417 4.612 0 40 KJAB biogenic Cc1ccc(Cc2nn3c(=O)/c(=C/c4cn(-c5ccccc5)nc4-c4ccc5ccccc5c4)sc3nc2=O)cc1 1878844 PLTSGYDQRWKWJZ-CEUNXORHSA-N 553.647 4.964 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@H]1c1ccccc1OC 2063948 RLAHZJVHYGMKBT-GJFKPFFXSA-N 535.021 4.720 0 40 KJAB CCOC(=O)c1c(NC(=O)COC(=O)c2oc3c(ccc4ccccc43)c2C)sc(C(=O)N(C)C)c1C 2642498 GOKFTXSLETVRNE-UHFFFAOYSA-N 522.579 4.938 0 40 KJAB CC[C@@H](C)n1c(SCCOc2cccc(Cl)c2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2649815 GKEDHZWLKBFXIJ-GOSISDBHSA-N 537.107 4.762 0 40 KJAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C\c3ccccc3Cl)c2=O)=N1 2672187 KCRYWINUIVXZAX-LJJBLSSYSA-N 507.036 4.694 0 40 KJAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(N4CCOCC4)cc3)nnc2-c2cccnc2)c(C)c1 3322724 YANVHERDDKFMCV-UHFFFAOYSA-N 500.628 4.514 0 40 KJAB COc1ccc(CN(C(=O)CN2C(=O)C(=O)c3ccccc32)[C@H](C(=O)Nc2ccc(OC)cc2)[C@@H]2CC=CCC2)cc1 8712773 KHZOYVBHMJIPOT-DJUQAAIZSA-N 567.642 4.626 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(OC)c(Cl)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1 10300304 ZSZDGXMHHWAGKB-UHFFFAOYSA-N 519.019 4.898 0 40 KJAB C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)N1N=C(c3ccc4ccccc4c3)C[C@@H]1c1ccccc1)CS2 12542831 BBJIQLMAUFEMPQ-MIHVYDCKSA-N 513.619 4.515 0 40 KJAB COC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 12600736 NNODUDASCBKPPT-RPMGNNNGSA-N 524.573 4.762 0 40 KJAB COc1ccc(OC)c(-c2csc(NC(=O)COC(=O)c3ncc(Cl)c(Cl)c3Cl)n2)c1 13098148 XJOVDJXIBPTYIW-UHFFFAOYSA-N 502.763 4.978 0 40 KJAB CCCCCCOc1ccc(/C=c2\sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1OC 16742158 MGZPINJXTQFXOX-RGLXFYGRSA-N 521.639 4.854 0 40 KJAB CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)sc2c1CCCC2 17297533 VNKLXOGHAPVQBS-IAGOWNOFSA-N 504.674 4.723 0 40 KJAB COC(=O)c1cc2cc(NC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)ccc2s1 19930887 RCRZUQKYJCISFA-QFIPXVFZSA-N 508.621 4.525 0 40 KJAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 21576798 MBISSQBWOUBVAF-UHFFFAOYSA-N 514.047 4.810 0 40 KJAB CC[C@@H](NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 22304979 NGIANRWCQPOPBR-HSZRJFAPSA-N 517.445 4.921 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](CC(C)C)c2ccccc2)c2ccc(F)cc2)cc1OC 22510135 BUHMGRYMQINEPM-XMMPIXPASA-N 514.619 4.942 0 40 KJAB CCOC(=O)C1=C(CSc2nnc(Nc3ccc(C)c(Cl)c3)s2)NC(=O)N[C@H]1c1ccco1 24013445 JLFWZHXCSIMQAG-KRWDZBQOSA-N 506.009 4.800 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCc1ccccc1)c1cccc(C(F)(F)F)c1 34837432 PNKIREHTBXLBNZ-UHFFFAOYSA-N 506.546 4.577 0 40 KJAB Cc1ccc(CN(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 59837882 VESHLPXCVFWAQT-UHFFFAOYSA-N 597.803 4.602 0 40 KJAB O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)Nc1ncc(C(F)(F)F)cc1Cl 95931659 QOPFHLDEBLWEFM-UHFFFAOYSA-N 502.246 4.582 0 40 KJAB CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1O 97955277 KNNPXRVDEKMFOZ-XJUOHMSHSA-N 527.346 4.744 0 40 KJAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)Nc4cccc5ccccc45)cc3)C2)cc1 100094005 AXLLELISBFMNQO-JOCHJYFZSA-N 579.700 4.689 0 40 KJAB CC1=N/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)C(=O)O1 100147047 HUVWUEXHTPTJJU-CXUHLZMHSA-N 545.114 4.791 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(I)c3)cc2)cc1C 100448761 VQBBGNTWOWPKGG-UHFFFAOYSA-N 506.365 4.961 0 40 KJAB CC[C@H](Sc1nc2cc(OC)c(OC)cc2c2nc(CCn3nc(C)cc3C)nn12)C(=O)NCc1ccc(C)cc1 101308140 JCXHGNWRPGAEPW-SANMLTNESA-N 573.723 4.846 0 40 KJAB Cc1ccc(Cn2c(=O)c3ccccc3n3c(SCC(=O)Nc4ccccc4Br)nnc23)cc1 103132546 NVGKXBDCWZUXSR-UHFFFAOYSA-N 534.439 4.894 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCc3nccs3)c(=O)cc1[C@@H](NC(C)=O)CC2 108450444 RJLGYVJCYNUQJP-DEOSSOPVSA-N 608.761 4.651 0 40 KJAB biogenic COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)c(OC)c1OC 110207800 KMKCEFNTIPMOSG-PJQLUOCWSA-N 547.427 4.928 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 222656267 IISRDDVRTIXLDU-HXUWFJFHSA-N 622.571 4.986 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 222664129 IWNUNKVGKXMESS-HHHXNRCGSA-N 596.149 4.677 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 222672140 GDDLXWNNDJETFD-QHCPKHFHSA-N 542.529 4.708 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)[C@@H](C)C(=O)NC(C)(C)C 222695132 JXFCSZDDBYNWKX-QFIPXVFZSA-N 539.673 4.661 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 222922153 AYADPUORUOZKKS-NDEPHWFRSA-N 586.154 4.918 0 40 KJAB Cc1ccc(CNC(=O)[C@@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 223010490 QWZJYSDKXRNARQ-JGCGQSQUSA-N 583.754 4.713 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 223048994 SQQHXFYMLKOTLN-VWLOTQADSA-N 535.710 4.832 0 40 KJAB COc1ccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)Cc4c(Cl)cccc4Cl)CC3)s2)cc1 223309985 NBPXPMQQLPTWAD-UHFFFAOYSA-N 541.482 4.701 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 223385781 QXKOZSYCDNCMFF-AREMUKBSSA-N 572.127 4.714 0 40 KJAB O=C(NCc1cccnc1)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223466094 NVZXIAFAXGAUKL-JGCGQSQUSA-N 600.716 4.681 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 223489879 CNSHMNFNFRIVDY-RUZDIDTESA-N 595.762 4.931 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 223577903 VNCOAQFACHTVOM-HHHXNRCGSA-N 618.569 4.911 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O 223602897 DONYCBXMPNLPDQ-AREMUKBSSA-N 515.720 4.519 0 40 KJAB 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CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224176671 OXVFNRVXWKWFLB-QHCPKHFHSA-N 554.540 4.934 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 224425994 GIPUOPZKEIALNI-MUUNZHRXSA-N 614.606 4.998 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1 224436329 OXEXFTUKACPNQT-DEOSSOPVSA-N 565.736 4.642 0 40 KJAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1 224650009 CVHRRQZGHRHYRI-QGZVFWFLSA-N 503.020 4.814 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)c2cc(C)cc(C)c2)cc1OC 224656930 WVFWTHOJGWCTRA-QHCPKHFHSA-N 599.725 4.597 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 224712179 LAONBBMASHVCGC-VWLOTQADSA-N 535.710 4.751 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(C)(=O)=O 224911902 LFZBTVSFODOBAT-GOSISDBHSA-N 540.513 4.626 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 224992046 ONIQWHYOXSVEFP-IBGZPJMESA-N 554.540 4.668 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccncc3)c2C)cc1 225207528 SZAHKMQTHQAKAG-IZLXSDGUSA-N 526.666 4.705 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 225292782 AQLVGYLUWXMDSI-HZPDHXFCSA-N 548.920 4.745 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 225318424 HOKDQNVWRYEEMG-HXUWFJFHSA-N 578.946 4.755 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 225365658 MZLKJAOIZRBVLR-SANMLTNESA-N 572.127 4.878 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 225536188 QMZGYGCNCXKDNP-HKBQPEDESA-N 599.753 4.893 0 40 KJAB COC(=O)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)cc1 225603769 NKFSQNRXIUEDLS-KAYWLYCHSA-N 543.624 4.799 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 225684169 PNDMHWBBSUYATP-JOCHJYFZSA-N 586.552 4.629 0 40 KJAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)cc1OCC 225751941 ZHAHJFCNGJHVMT-GOSISDBHSA-N 512.653 4.948 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)c2cccc(Cl)c2)cc1 260764602 URGKDBWQHCDDCB-JOCHJYFZSA-N 572.127 4.528 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260775569 HSAYQQPKEAAOLN-JOCHJYFZSA-N 531.694 4.547 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 260863408 BWVLDOZJGJZEJT-YADHBBJMSA-N 542.101 4.867 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 261100191 VXJAEJQPAFJICA-HXUWFJFHSA-N 596.588 4.726 0 40 KJAB C[C@H](CCc1ccccc1)NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 408611112 QKENWNYYWUQCBN-HXUWFJFHSA-N 515.473 4.778 0 40 KJAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccc(I)cc2)o1 408636954 DKUSISQYVXEEJL-UHFFFAOYSA-N 501.733 4.734 0 40 KJAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4C)C3)cc2)cc1 408662380 XZHARHJQFQGPLH-NRFANRHFSA-N 505.954 4.955 0 40 KJAB Cc1ccccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)c4ccc(Br)cc4C3=O)c(C)c2)CC1=O 408669669 RTIALVGFIVMBSW-QGZVFWFLSA-N 533.378 4.825 0 40 KJAB CCc1cc(Br)ccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C(C)[C@@H](C4)[C@H]3C2=O)cc1 408683847 IZEPTRYBJKZNJP-SMRNPNEFSA-N 537.410 4.509 0 40 KJAB CCCC[C@H](C(=O)OCC(=O)Nc1ccc(NC(C)=O)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408687836 PKVAGHPDKXNBLY-YJTVIJPYSA-N 579.653 4.578 0 40 KJAB CCCC[C@H](C(=O)OCC(=O)Nc1cccc(C)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408689850 SSJMKGRBHXJIDD-XVLRFGCZSA-N 536.628 4.928 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 408700651 JQSDMJFEAFADCQ-UHFFFAOYSA-N 557.694 4.621 0 40 KJAB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)S(C)(=O)=O)c1 408712180 NDAGTCDLOYBMDC-IBGZPJMESA-N 550.102 4.859 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC(C)C)c(I)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408800710 ORUGFJSAHWAFHF-AFHVAHMMSA-N 732.353 4.934 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)c2=O)=N1 408843904 UNMDPJZGQVRIKH-ASZNLBCTSA-N 586.666 4.854 0 40 KJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)cc(I)c3O)C2=O)cc1C 408929948 QAVFILMSKPWYSS-FRKPEAEDSA-N 542.782 4.942 0 40 KJAB CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(OCc4cccc(C)c4)cc3)c(=O)n21 409011539 GBDVOAYYNHVKRS-GJKZIJEQSA-N 628.747 4.720 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OC)c(Cl)c3)c(=O)n2[C@H]1c1ccc(F)cc1 409016512 JQVAJAVWTQJDAA-WALVNQSHSA-N 549.023 4.737 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409037698 UHXDCNMXXMEXGO-CWJUKMOQSA-N 637.110 4.662 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)C)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409080498 DWJAKKOBEVNGGA-ZWTBYVTRSA-N 645.572 4.764 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409083103 UWACDHUKSIIEMW-KHVWPYCOSA-N 687.204 4.800 0 40 KJAB Cc1cccc(OCc2nn(CC(=O)Nc3c(C)cc(I)cc3C)c(=S)o2)c1 409160079 SKMWURDKBBHVQS-UHFFFAOYSA-N 509.369 4.953 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1O[C@H](C)CC 409193913 HRJZALAOXHURME-WZGTUUFSSA-N 539.654 4.774 0 40 KJAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(O)c(I)c3)C2=O)c1 409255842 LHLCBIQIWZKDNR-LZYBPNLTSA-N 634.233 4.893 0 40 KJAB CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1OC 409328293 RMIOZHPQJIUHRV-LICLKQGHSA-N 664.259 4.978 0 40 KJAB CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccc(Cl)cc3)C(C)C)n2C)c1 409344120 GQXBECKVTGGBRX-JOCHJYFZSA-N 544.077 4.892 0 40 KJAB CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 409354294 BQUQVPWWRMBSAV-CYBMUJFWSA-N 508.431 4.835 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)O)cc4)c(Cl)c3)C2=O)o1 409399020 HCUKVTPKFHXJFW-GRSHGNNSSA-N 545.331 4.743 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4cccc(C)c4)c(OC)c3)C2=O)o1 409399102 FURFFPFKGVUZLT-JAIQZWGSSA-N 555.381 4.818 0 40 KJAB CCCC(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)C2CN(C(=O)C(C)C)C2)Cc2ccc(Cl)cc21 643569495 YFCJIEOAZUBAEB-UHFFFAOYSA-N 553.147 4.822 0 40 KJAB COc1ccc(CCNC(=S)N(Cc2ccco2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1OC 878777 SQNKWWVBUJGJRV-UHFFFAOYSA-N 505.640 4.875 0 40 KJAB CCOC(=O)c1c(NC(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2Br)sc2c1CC[C@H](C)C2 954971 KMNMNUZFBZFEAS-LBPRGKRZSA-N 570.458 4.633 0 40 KJAB CC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O 1375159 CMAJONWJVZJQIP-RUZDIDTESA-N 526.597 4.655 0 40 KJAB O=c1cc(CSc2c(-c3ccccc3)c(=O)n(-c3ccccc3)c(=S)n2-c2ccccc2)[nH]c(=O)[nH]1 1651735 HNJWTEZOJDFAKX-UHFFFAOYSA-N 512.616 4.694 0 40 KJAB COc1ccc(NC(=O)[C@@H]([C@H]2CC=CCC2)N(Cc2ccccc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 3771366 GFHJEKRYFWDJEZ-MUAVYFROSA-N 537.616 4.617 0 40 KJAB O=C(c1ccc(-c2ccccc2)cc1)N1C[C@@H]2C[C@H](C1)c1ccc(NS(=O)(=O)c3cccs3)c(=O)n1C2 4150078 YFZAZNUUTDEZJN-WMZHIEFXSA-N 531.659 4.637 0 40 KJAB biogenic,in-vitro O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccs1)S(=O)(=O)c1cccc(C(F)(F)F)c1)OCO3 6445405 TVBQRITUZYANQY-UHFFFAOYSA-N 522.526 4.728 0 40 KJAB COc1cc([C@H]2CN3C(=O)CN(Cc4ccco4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C 8789159 XXRYIYNFBCREQI-RCRUUEGKSA-N 513.594 4.788 0 40 KJAB biogenic Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3sc(=O)n(-c4ccccc4)c3Cl)[C@@H]2C1=O 9191362 YFLRBLNXCVATHI-FKBYEOEOSA-N 517.994 4.912 0 40 KJAB CC(=O)O[C@H](C(=O)/N=c1\sc2cc(C)ccc2n1C(=O)[C@@H](OC(C)=O)c1ccccc1)c1ccccc1 9233782 QJVVMTWAUVLGRR-XTLHTKSZSA-N 516.575 4.688 0 40 KJAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 11027574 RHIKFWHBZKKMBS-UHFFFAOYSA-N 532.691 4.774 0 40 KJAB Cc1nc(SCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)c2c3c(sc2n1)CCCC3 13039320 IKUOCXJVQSDYPQ-UHFFFAOYSA-N 504.435 4.541 0 40 KJAB CC[C@@H](c1nnnn1C1CCCC1)N(CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 13495869 YTBIYIXUPFKEKM-DEOSSOPVSA-N 500.603 4.554 0 40 KJAB CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(c2cc(C)ccc2C)CC1 19941656 UIMMFMRWOXXUCF-MHZLTWQESA-N 513.690 4.805 0 40 KJAB COc1ccc([C@@H](C)NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 20489469 LIBLQSCFVZRMBN-GOSISDBHSA-N 503.020 4.738 0 40 KJAB COc1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 22277302 MXKHNKRKQRYBPX-UHFFFAOYSA-N 504.992 4.508 0 40 KJAB CCOC(=O)c1cc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1Cl 22431653 UGXUJGQZBJBFDG-UHFFFAOYSA-N 504.967 4.798 0 40 KJAB CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1Cl 32125186 QPHMGIAWKGECDN-UHFFFAOYSA-N 523.058 4.828 0 40 KJAB O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 35843270 PGKSFOBXHNEJOC-CPBHOCDRSA-N 503.583 4.999 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Br)cc2F)cc1C 59951819 ZSKWVDKKLUBSCJ-JOCHJYFZSA-N 535.435 4.824 0 40 KJAB CC(C)C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)NCCc1cccc(F)c1 70704508 BLVJRVFZASSPHT-XEVVZDEMSA-N 552.650 4.667 0 40 KJAB biogenic O=S(=O)(c1ccc(N2CN(S(=O)(=O)c3ccc(Br)cc3)c3nc4ccccc4nc32)cc1)N1CCCCC1 97983861 GQMGOEMWYJVHPT-UHFFFAOYSA-N 614.547 4.871 0 40 KJAB CCOc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1Br 100318334 VNSKRXWJDOBLLR-UHFFFAOYSA-N 532.382 4.830 0 40 KJAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(c2nc(O)c3nnn(Cc4c(Cl)cccc4Cl)c3n2)CC1 100446414 OQTGKEIQOMPIFK-UHFFFAOYSA-N 587.411 4.869 0 40 KJAB O=C1[C@@H]2[C@H]3C[C@H]([C@H]2C(=O)N1c1ccc(Cl)cc1)[C@@H]1[C@@H](c2cccs2)c2sc(=O)[nH]c2S[C@@H]31 100922393 VWSNDVKFGDYSFL-RYCULTNHSA-N 501.054 4.829 0 40 KJAB O=C1[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1c1ccc(F)c(Cl)c1 101326467 SMTMSRNLNMFOFB-QUIZSENMSA-N 549.389 4.782 0 40 KJAB Br[Sn](Br)(C[Sn](Br)(Br)c1ccccc1)c1ccccc1 195752912 GHEJMXRZRUBXMQ-UHFFFAOYSA-J 725.277 4.804 0 40 KJAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)C1=O 205692634 UIWUCIKTGXWLEJ-VCHYOVAHSA-N 524.364 4.775 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(Cl)cc2)c2cc(C)cc(C)c2)cc1OC 216441886 ZRDCGYDPHVSUKL-UHFFFAOYSA-N 517.047 4.828 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 222535442 DPLOWKLWIJMNOV-SANMLTNESA-N 593.643 4.777 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)c2ccccc2OC)cc1 222765077 NMCSCSZWRJHWQL-QHCPKHFHSA-N 581.735 4.540 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 222841808 RKKJNRXKWRQRJN-WJOKGBTCSA-N 585.726 4.585 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 222953491 YDCGBONAMGKHBB-DEOSSOPVSA-N 551.709 4.614 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 223111458 CQFBIDWFSIEMKI-HSZRJFAPSA-N 548.492 4.742 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c2ccc(C)cc2)cc1 223111487 IXYZMMOQVCGIFN-DEOSSOPVSA-N 565.736 4.573 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 223125864 SNIYHDLDERQCIB-LJAQVGFWSA-N 549.737 4.626 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223275647 KVALRHWWJVQUBH-NDEPHWFRSA-N 565.736 4.921 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O 223654365 AZDAMAIYZKQRAR-HHHXNRCGSA-N 606.572 4.934 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 223916478 DCXDARUQFMMTML-QFIPXVFZSA-N 588.554 4.500 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 224267116 VTOXRNYEGSVVQZ-LJAQVGFWSA-N 605.757 4.828 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1OCC)S(C)(=O)=O 224325089 YVJHAVXXGIIHHH-GDLZYMKVSA-N 597.753 4.937 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 224427772 VWIRARPOPRPZMR-QFIPXVFZSA-N 602.153 4.742 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 224680828 WIXIXBOWACSAGR-QFIPXVFZSA-N 542.529 4.647 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 224746758 AXKTXRNIIBHGDY-JOCHJYFZSA-N 572.127 4.796 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 224756830 BSJHQMSSWGXJNE-HHHXNRCGSA-N 583.726 4.918 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224802652 HNUSHZFSOBEDNX-LJAQVGFWSA-N 549.737 4.543 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 224821228 IJJMDSPFFDFCTL-HSZRJFAPSA-N 542.529 4.647 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 224858161 BVUHZTPZIPRXJA-SFHVURJKSA-N 570.539 4.634 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccc(C)cc2)cc1OC 224863508 AMOWCIYIZUKZAO-UHFFFAOYSA-N 524.517 4.745 0 40 KJAB COc1cc(N(Cc2ccc(C(=O)NCCOc3ccc(C)c(C)c3)cc2)S(C)(=O)=O)c(OC)cc1Cl 224919241 VQTQILYPKRGKGU-UHFFFAOYSA-N 547.073 4.749 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 224959566 MYSFPVZIXKMRHD-PMERELPUSA-N 579.763 4.654 0 40 KJAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 225044520 WRGXRNYZURUGQS-JOCHJYFZSA-N 572.127 4.530 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 225094507 YSFQWFQUJMTGHZ-SANMLTNESA-N 557.757 4.806 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225152729 RAELTDNZIVZUHW-INIZCTEOSA-N 548.920 4.746 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 225176019 XPSNQUULPMUKIY-MUUNZHRXSA-N 551.709 4.887 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 225218250 ZLQZOKDKXDDNAN-INIZCTEOSA-N 593.371 4.856 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 225270865 OHCZJONZJBCEHL-GDLZYMKVSA-N 549.737 4.626 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3nccs3)c2C)ccc1OC 225289482 GBFSVRIOWVVPHS-JWQCQUIFSA-N 548.694 4.716 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)ccc1OC 225306825 CFKYCEZBUREPBY-SVBPBHIXSA-N 602.625 4.509 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 225531505 OHQAUOKUFYEQKK-RBJSKKJNSA-N 595.762 4.930 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 225554019 AHYKIKAYTVMUEA-JGCGQSQUSA-N 599.753 4.893 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCSC2CCCC2)c2ccc(Br)cc2)cc1 225617180 AMJWLHXXYFHSGX-UHFFFAOYSA-N 511.507 4.745 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 225677961 QKKCTZSLMMKULJ-QHCPKHFHSA-N 539.673 4.519 0 40 KJAB COC(=O)/C=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OC)c1 226337190 UGUZMTMHJZUTLD-VMPITWQZSA-N 503.130 4.828 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 260875431 BFZISMTWLOGOQA-WJOKGBTCSA-N 624.779 4.536 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 260896357 DJHKYXBWDOSWEF-LXFBAYGMSA-N 611.761 4.630 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 260940504 IPTCTXJFTUCKML-YWEHKCAJSA-N 535.710 4.912 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 261016507 UOURHNUEWDYWKO-WJOKGBTCSA-N 591.774 4.859 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 261097029 VEWQIHUCKWNKIH-MUAVYFROSA-N 567.727 4.709 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc(Cl)ccc2OC)cc1C 408551692 LZNJSPLFRKTULN-UHFFFAOYSA-N 503.020 4.538 0 40 KJAB CC(=O)Nc1cccc(NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1 408602752 AQJLJCVOOBGNKT-UHFFFAOYSA-N 503.983 4.576 0 40 KJAB C[C@@H](Oc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1)C(=O)N1CCOCC1 408611332 WQQRXVGGTDDJQU-GOSISDBHSA-N 517.003 4.559 0 40 KJAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 408701806 GACHZBJKQMIYMS-NRFANRHFSA-N 535.666 4.859 0 40 KJAB Cc1ccc(C)c(N(CCCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)c1 408706219 XTDPGGNANPAYNV-UHFFFAOYSA-N 519.711 4.783 0 40 KJAB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4c(C)[nH]c5ccccc45)c(=O)n32)c1 408769875 QCULLTPEZQOHCS-ASZNLBCTSA-N 534.641 4.672 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 408838273 UFSBYPCWNYGEOM-BQZLQMKDSA-N 639.513 4.714 0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408920385 FQWQCFYTKJHMJW-UHFFFAOYSA-N 549.674 4.938 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)cc(I)c4OC(C)C)c(=O)n32)cc1OCC 408947485 QEAIONLBAPYRER-VWHXEVSBSA-N 774.415 4.812 0 40 KJAB C[C@H](Sc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1)C(=O)Nc1nccs1 408991870 ZCKXLNIGSQXEPV-HNNXBMFYSA-N 553.691 4.597 0 40 KJAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3cccc(C)c3)c(OC)c2)C1=O 409075405 YIHNGTUUSJIJDU-HIPSJFSSSA-N 567.401 4.785 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(I)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409104350 DGPFQVMIIKCWDP-DBLMTGOPSA-N 667.569 4.879 0 40 KJAB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(N5CCOCC5)cc4)C3=O)o2)cc1 409149612 LBGBROKUIGPEBS-PCLIKHOPSA-N 531.590 4.661 0 40 KJAB CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O 409273715 ROYUNVWTPLTRJM-RGVLZGJSSA-N 547.427 4.683 0 40 KJAB N[C@@H]1c2cccnc2[C@@H](OC(=O)N2CCC(n3c(O)nc4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F 504665957 KRNAOFGYEFKHPB-OEOAZWSVSA-N 534.567 4.902 0 40 KJAB Cc1ncc(CO)c2c1Oc1nc(-c3ccc(F)cc3)nc(SCC(=O)N(C)c3ccccc3)c1C2 585148646 ANQWMIISHIHHAN-UHFFFAOYSA-N 502.571 4.930 0 40 KJAB O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCO[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643554489 AQRGTJTYRCTULG-MUUNZHRXSA-N 509.002 4.733 0 40 KJAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N[C@H](C)COc2ccccc2Oc2ccc(Cl)cc2)CC(=O)N[C@@H](CC(C)C)C1=O 643578626 AWSPQBXSVZFLQY-MHZHKKNFSA-N 679.214 4.976 0 40 KJAB CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c3ccccc3ccn2c1C(=O)c1ccc(F)cc1 783588 BLOKZWFUTBMYJB-UHFFFAOYSA-N 501.601 4.830 0 40 KJAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(C(=O)Cn1nnc(-c2ccccc2F)n1)c1ccc2c(c1)OCCO2 888574 DDOHTWCCHUBUHS-HHHXNRCGSA-N 576.654 4.535 0 40 KJAB COc1cc2cc(CN(Cc3ccc(C)cc3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2cc1OC 1373674 QBHFYKSRVKFZLH-UHFFFAOYSA-N 502.619 4.548 0 40 KJAB Cc1ccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc(F)cc2)[C@H](C(=O)NC2CCCCC2)c2ccco2)cc1 8686472 XHKXHQFQWNLMAN-IMSFFZSHSA-N 553.656 4.638 0 40 KJAB aggregator CCS(=O)(=O)c1ncc(N(Cc2ccccc2)Cc2ccco2)c(C(=O)Nc2ccc(Cl)cc2)n1 9250650 YKGGYPWFDFUAFY-UHFFFAOYSA-N 511.003 4.976 0 40 KJAB COc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)c(OC)c1 13030508 BBADRFIZCWMFJQ-LJAQVGFWSA-N 529.641 4.694 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)ccc1OC 13032178 HDLFWFXTOVZGBO-SANMLTNESA-N 503.603 4.729 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 13495916 VAVIGBGNGHKEEO-XCZPVHLTSA-N 530.673 4.597 0 40 KJAB COc1cc2c(cc1OC)C1=C[C@H](c3ccccc3)C(S(=O)(=O)c3cccc(Cl)c3)=C(N)N1CC2 13576910 VWYOFPNAEVPVSS-JOCHJYFZSA-N 509.027 4.955 0 40 KJAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCSCc3c(F)cccc3Cl)cc2)cc1 14154599 OYHWGCINFBPXFC-UHFFFAOYSA-N 523.051 4.976 0 40 KJAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(CC)CC3)c(Cl)c2)cc1Br 16681561 UUPCADHSUPEVOA-UHFFFAOYSA-N 525.900 4.770 0 40 KJAB CCC(C)(C)n1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N(Cc1ccc(OC)cc1)C[C@@H]1CCCO1 20082970 RVWKGOBBIFMAAT-IGKIAQTJSA-N 530.673 4.747 0 40 KJAB CCOc1ccc(N(CC(=O)N[C@H](CC)c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 20111179 DZGTVVNXKPUYBZ-RUZDIDTESA-N 526.655 4.874 0 40 KJAB COc1cc(C(=O)Nc2ccc(Br)cc2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC 22253433 INDJSXCWKGKFLG-UHFFFAOYSA-N 519.417 4.685 0 40 KJAB CSc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1C(=O)N1CCOCC1 26117711 BOKLQRPUNSOTSW-UHFFFAOYSA-N 500.667 4.833 0 40 KJAB O=C1C[C@H](c2ccc(O)cc2)Oc2c1c(O)cc(O)c2[C@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1 26189264 MXEIKUWMKSYEII-KBKXWFDOSA-N 542.496 4.727 0 40 KJAB biogenic O=C(c1ccco1)N1CCN(C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 29747833 HEJVHZPELILUCS-SFHVURJKSA-N 561.274 4.731 0 40 KJAB Cc1cc(C)n(CCN(C(=O)CCCS(=O)(=O)c2ccccc2)c2nc3c(F)cc(F)cc3s2)n1 38902492 SQBIFJMHKMVTMT-UHFFFAOYSA-N 518.611 4.675 0 40 KJAB COc1ccc(CCNc2nc(SCC(=O)N3CCN(c4ccccc4)CC3)nc3ccccc23)cc1OC 47145224 MBHBWPHAZKNDOI-UHFFFAOYSA-N 543.693 4.743 0 40 KJAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1 59928447 IZWSMDVQVFOKPL-UHFFFAOYSA-N 570.836 4.928 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)c2)cc1 60060499 QGMPBVZIIJZIBL-UHFFFAOYSA-N 572.068 4.601 0 40 KJAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1 97954126 PZHYBGUBOYUARH-ZONZVBGPSA-N 544.560 4.645 0 40 KJAB O=S(=O)(c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)cc1)N1CCCCCC1 100625562 TYKHGPBJGDRZLH-UHFFFAOYSA-N 534.650 4.921 0 40 KJAB Cc1c(Br)cc2c(c1Br)OC[C@](CN1CCOCC1)(Sc1ccccc1)C2=O 100972299 RULPNKKFKXDSDL-NRFANRHFSA-N 527.278 4.958 0 40 KJAB COc1cc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 102470240 GDTJYSOHEQAJBV-ZDLGFXPLSA-N 522.307 4.750 0 40 KJAB CCOC(=O)C1CCN(C(=O)CSc2nnc(COc3ccccc3F)n2[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 103141840 XKGQIZIIMDQNSS-CZAYHTPWSA-N 544.693 4.887 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(COc4c(F)c(F)cc(F)c4F)c3)c(=O)n2[C@H]1c1ccccc1 103252562 IRTDRLUPQLQBGM-UAGLMNGLSA-N 598.574 4.552 0 40 KJAB O=C(NC(=S)Nc1ccc2nc(NC(=S)NC(=O)c3cccc(F)c3)sc2c1)c1cccc(F)c1 105220578 PBVNAIKAJXFAMA-UHFFFAOYSA-N 527.603 4.828 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(Br)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 106006709 YCBFAMVIDGNCSV-UHFFFAOYSA-N 533.444 4.917 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3O)c(=O)n2[C@@H]1c1ccc(OC)cc1 164529894 PQHOXUSLATWPOX-WDONWYDGSA-N 764.379 4.859 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 222421480 COHRELVBTKXIHM-QFIPXVFZSA-N 542.101 4.624 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 222550973 DZRCXJZRCJCGPC-NBGIEHNGSA-N 585.689 4.982 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 222687550 UTCZRULULOEDMA-AREMUKBSSA-N 604.542 4.521 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 222809093 MRMPBFMIRQVASV-DEOSSOPVSA-N 612.963 4.808 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 222972789 JDZQLYSDAMJUFN-RUZDIDTESA-N 561.626 4.763 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 223137537 RBNSIDINSGMXJD-YTTGMZPUSA-N 629.779 4.984 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 223278518 OJXANROZBGMMFA-QDPGVEIFSA-N 570.155 4.969 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 223313735 NDBKQFBYOGDESE-JOCHJYFZSA-N 542.529 4.710 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 223425143 IYCRPAGLFFPTNE-XMMPIXPASA-N 578.518 4.751 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 223617206 AGOATQOGKNZLJL-JIPXPUAJSA-N 574.118 4.800 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cc3ccncc3)cc2)c2ccccc2)cc1 223742723 YMCISCKVLFYAJV-UHFFFAOYSA-N 501.608 4.905 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 223844387 JKVYYGYIVVWZDP-HXUWFJFHSA-N 542.101 4.735 0 40 KJAB COC(=O)c1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(NC(C)=O)cc1 223997230 HZKQFISZTYDWNA-UIOOFZCWSA-N 511.607 4.794 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 224689625 NFBUZHBALOPOPD-HSZRJFAPSA-N 569.699 4.672 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 224697359 LLYGBBQFLOAALO-IBGZPJMESA-N 538.085 4.501 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 224745207 ODHIXRGPYVYDBK-JOCHJYFZSA-N 542.101 4.787 0 40 KJAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 224835444 IFCKUPJGBXRYOJ-UHFFFAOYSA-N 519.019 4.829 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 224955473 YRKMKZCSOSIKJK-GDLZYMKVSA-N 565.736 4.513 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCCO2 224980811 ZLLSTTAEOHHULO-AREMUKBSSA-N 504.602 4.694 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 224986630 LVQFOZSYSNJBPR-QFIPXVFZSA-N 602.153 4.804 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 225164181 BVSWSQRBDWQRDB-QGZVFWFLSA-N 558.503 4.765 0 40 KJAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1OC 225183373 BZUSBZMTOHMWJY-LOYHVIPDSA-N 576.767 4.756 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 225186995 GLNJYBHSMSEAPX-OAQYLSRUSA-N 573.662 4.502 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 225257427 DSTBBLXXBOWWLT-SANMLTNESA-N 569.699 4.753 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)ccc1OC 225307959 GHACKEBSNUUESV-IZZNHLLZSA-N 505.644 4.769 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 225354785 MHROKZLTDUBIDM-JWQCQUIFSA-N 565.736 4.839 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225520837 NDORTIHHCYEULC-VWLOTQADSA-N 535.710 4.749 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O 225677623 NEJKJXGVNBULCZ-IIBYNOLFSA-N 546.492 4.621 0 40 KJAB CN(Cc1ccccc1)C(=O)C[C@@]1(COc2cccc(Cl)c2)CCCN(C(=O)CCn2ccnc2)C1 257243979 IJJYTQQWGGTZNU-NDEPHWFRSA-N 509.050 4.663 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3c4ccc(Br)cc4C[C@H]3C)C2)cc1C 260746581 SRNVLZWOYMIDGU-MSOLQXFVSA-N 521.477 4.535 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)Oc3ccc(C(C)(C)C)cc32)cc1 260885963 BQGHULRCCASFRJ-WJOKGBTCSA-N 655.839 4.619 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccccc1 260945782 SWPKLDWIOHQZHE-GDLZYMKVSA-N 565.711 4.681 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 260947730 JKVDGMMQQIIWEH-YADHBBJMSA-N 662.205 4.902 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 260990330 PUGUBPMIRQAXOM-VXKWHMMOSA-N 602.153 4.885 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 261008406 TUDGLPQOLGPWTJ-YADHBBJMSA-N 536.138 4.835 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1OC 261083199 RMCHFYMCEVCFOQ-OAQYLSRUSA-N 646.604 4.994 0 40 KJAB Cc1c(Cl)cccc1NC(=O)c1cc2cc(Br)ccc2n1NC(=O)C(=O)NCCC(C)C 408609764 RWSYGTMGHAMOBK-UHFFFAOYSA-N 519.827 4.850 0 40 KJAB CCn1c(S/C(=C\c2ccc(OC)c(Br)c2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408634511 VOXAKBLPJGGNKA-OCKHKDLRSA-N 520.405 4.971 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)o2)sc2c1CCCC2 408637358 JAOZXHUNEWGYDP-UHFFFAOYSA-N 500.602 4.543 0 40 KJAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)CC2)c1 408680310 QUTGAHQONONGHX-UHFFFAOYSA-N 562.113 4.630 0 40 KJAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C[C@H]5c5ccccc5)[C@H]4C3=O)cc2)c1 408689496 SAKNXIKUIDLFLP-BAMRGEIVSA-N 536.584 4.614 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)c2)cc1 408712422 ZYCAYRRMJJEUEW-UHFFFAOYSA-N 539.610 4.988 0 40 KJAB CCOC(=O)COc1c(Br)cc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1Cl)C(C(=O)OCC)=C(C)N=2 408823574 FAFOEQJLNHQWBP-HWMPQDOQSA-N 698.817 4.919 0 40 KJAB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)c(N5CCCCC5)o4)c(=O)n32)cc1 408860088 RUBITVNVABDSKP-NLZIUFDSSA-N 600.535 4.541 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)C)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408927191 ORYFHGZLYMFUKS-LWUPDDLQSA-N 541.069 4.638 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c2ccc(C)cc2)cc1OC 409026860 AYDPFUJZJJQWFN-UHFFFAOYSA-N 565.692 4.909 0 40 KJAB COc1ccc(NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1 409083804 VRPGOHDJOFKVII-UHFFFAOYSA-N 533.444 4.604 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409084168 AEHBUGBTJHQUIC-UHFFFAOYSA-N 524.517 4.565 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(I)c1OCc1ccccc1 409104020 IEIOMQYJNDPLAK-ONDHQXCVSA-N 567.401 4.867 0 40 KJAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCC(=O)OC)c(I)c3)C2=O)cc1 409105005 HLRMRFJQARMQLD-VCHYOVAHSA-N 722.295 4.521 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc(Br)c1OC 409276040 XRSPOXARSNWRRW-OVCLIPMQSA-N 545.333 4.949 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1ccc(C(=O)O)o1 409384869 GDKUWHDDCLFQBH-UUYOSTAYSA-N 522.535 4.549 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(=O)Nc4ccc(Cl)cc4)cc3Br)C2=O)o1 409398860 FCSHWHATKQSIIR-OCKHKDLRSA-N 618.824 4.601 0 40 KJAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCSCc1c(F)cccc1Cl 409411476 XHNLAZPGQGSLRZ-UHFFFAOYSA-N 511.015 4.863 0 40 KJAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCN(C)CCCN(C(=O)CC(C)C)c4ccccc4C3)c12 643554486 KOMZJOHXVFHKTQ-UHFFFAOYSA-N 503.647 4.766 0 40 KJAB COc1ccc([C@@H](CC(=O)NCCCO)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 1547206047 OYZPJNVDXHENDG-NBGIEHNGSA-N 553.652 4.609 0 40 KJAB biogenic C[C@H](CCC(=O)NCc1cc(F)cc(F)c1)[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]3C[C@H](O)[C@@]21C 1889149505 MRZRZVJCNKELFF-KWKXQWDYSA-N 533.700 4.959 0 40 KJAB 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CCOc1cc(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)ccc1OC 225794151 CILYYZACDNQISK-UHFFFAOYSA-N 519.044 4.651 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)Cc2ccc(Br)cc2)cc1 226025610 ULJKSVOKWRKICI-UHFFFAOYSA-N 501.446 4.573 0 40 KJAB CCOC(=O)C1=C(C)[C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@@]1(C)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 245232409 VFQJTSHELHPHNH-SRCMBBCTSA-N 656.327 4.652 0 40 KJAB COc1cccc(C(=O)O)c1OCC(=O)N(CCc1ccccc1)Cc1cc2ccc(C)cc2nc1O 257312109 UMOJIGBLSOPROJ-UHFFFAOYSA-N 500.551 4.606 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)c(C)c1 260754896 RGUIZKNECAFGIS-RUZDIDTESA-N 535.710 4.749 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 260819824 XQQVIXKODCBWFZ-RUZDIDTESA-N 547.721 4.975 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 260961105 LCSRAEHCACVVSN-MBSDFSHPSA-N 542.529 4.790 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 260973376 MVYJWDJULBUVHB-NLFFAJNJSA-N 537.673 4.542 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 261006544 SQWFBGPWONXXMC-HOTGVXAUSA-N 578.946 4.753 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 261030617 XEDXQQIYTLMKGR-XMMPIXPASA-N 535.710 4.831 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 261087850 SNCWXOMFKLNGGG-UXHICEINSA-N 580.589 4.845 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 261097036 VFAFZSIBZOIKID-RNAHPLFWSA-N 563.764 4.878 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 261106999 XDOHWGVBDOBRIO-MUUNZHRXSA-N 549.737 4.570 0 40 KJAB Cc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)Nc2ccc(F)cc2)cc1 408578246 KMTCABRELIRFEH-UHFFFAOYSA-N 509.335 4.812 0 40 KJAB COc1cccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(Cl)c(Cl)c3)cc3cccc(OC)c32)c1 408605336 JRTYJAYRXYLGHW-UHFFFAOYSA-N 527.364 4.926 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408610497 RKSLDZDAKYHLHP-UHFFFAOYSA-N 570.664 4.893 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)S(=O)(=O)c1ccccc1 408613222 VWBKGUWJTQOPOE-UHFFFAOYSA-N 547.599 4.567 0 40 KJAB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 408646138 TVAWZVICPXKVJM-OIVABKMKSA-N 539.415 4.684 0 40 KJAB Cc1cccc(C)c1NC(=O)CN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408650545 FTVVKMXCGPESNV-CSVUYUCVSA-N 505.401 4.835 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1 408659015 VKASWXACDUDFCP-QXVOXHNYSA-N 563.031 4.892 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(F)cc4)CC3)cc2)cc1Cl 408680877 SHQRSKIAJGUKAS-UHFFFAOYSA-N 580.103 4.769 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)Cc2ccccc2)c(C)c1 409059309 MITFSBMYZNZASO-UHFFFAOYSA-N 526.102 4.805 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 409063280 JWTNFAAPBBXFCV-UHFFFAOYSA-N 501.004 4.655 0 40 KJAB CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 409148370 YJQVDGZLQDFZMR-KRWDZBQOSA-N 506.657 4.952 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O)Nc1ccccc1N1CCOCC1 409197312 BERXAGCBSHCAIL-YZSQISJMSA-N 547.608 4.916 0 40 KJAB O=C(Nc1ccc(I)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 409381198 KQRLOHFTTCXLPV-NRFANRHFSA-N 504.349 4.911 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)c2ccc(Cl)cc2)cc1OC 409406675 BYEBMZGVHCEVGB-UHFFFAOYSA-N 513.374 4.984 0 40 KJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2Cl)c(C)c1 409409371 OFZSOQKPFUJAOO-UHFFFAOYSA-N 502.011 4.859 0 40 KJAB O=C(Nc1nc(-c2cccs2)cc(C(F)(F)F)n1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1075215 WIJWSEYMLHCGAZ-UHFFFAOYSA-N 512.413 4.633 0 40 KJAB CCOc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCN(Cc5ccccc5)CC4)CC(=O)N32)cc1OC 1318672 PQGNYQDJJXBURB-DODOAAEWSA-N 578.713 4.925 0 40 KJAB biogenic CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O 1374674 WUBPHZABLOJCPW-VWLOTQADSA-N 500.628 4.787 0 40 KJAB CCCc1cc(=O)n2c(C(=O)Nc3ccc(C(=O)OCC)cc3)c(C(=O)Nc3ccc(F)cc3)sc2n1 1785896 VDIQXGSGRWRMKO-UHFFFAOYSA-N 522.558 4.529 0 40 KJAB COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C\c4cccc5ccccc45)c(=O)n32)ccc1OC(C)=O 2671840 DRZSENPWFSPKNA-YVBHXKDBSA-N 570.667 4.522 0 40 KJAB O=C(COC(=O)c1cccnc1SCC(=O)N[C@H]1CCCc2ccccc21)N[C@H]1CCCc2ccccc21 3221184 LQBWOZHMNRLJJN-UIOOFZCWSA-N 529.662 4.718 0 40 KJAB O=C1c2ccccc2C(=O)N1CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 3285670 XYNLOGVMGUXRRY-UHFFFAOYSA-N 501.633 4.773 0 40 KJAB CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C)C(=O)Nc4ccc5ccccc5c4)cc3C2=O)cc1 3429776 WFXQDVIKCZFDLQ-QGZVFWFLSA-N 521.529 4.783 0 40 KJAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(OC)cc(OC)c4)cc3n2)cc1 4122953 KBTFZWYHZHULDT-UHFFFAOYSA-N 518.643 4.719 0 40 KJAB CS[C@@H]1[C@@H](n2cnc3ncnc(NC(=O)c4ccccc4)c32)O[C@@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 4984282 BMPUMGWYBHVEIQ-YXMNTCDSSA-N 609.664 4.790 0 40 KJAB CC(C)(C)OC(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)O 5119236 ATGHEIGKPJZNFH-DEOSSOPVSA-N 520.651 4.806 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@H]1c1ccccc1 8385079 KTIHJPIKGRSLAG-NLZIUFDSSA-N 549.446 4.821 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)COc3ccc(C)cc3OC)ccc2Cl)cc1 12487694 SWVHCLFATZAETR-UHFFFAOYSA-N 504.992 4.874 0 40 KJAB CC(C)c1ccc(Nc2nnc(SCC(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)s2)cc1 12524876 PJXBIVHSJQIQBD-OAQYLSRUSA-N 516.714 4.713 0 40 KJAB O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(F)cc1 12704480 RKUWSABKFDQSIG-DEOSSOPVSA-N 522.581 4.513 0 40 KJAB CC[C@@H](C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716584 IODCJRLWEABVLZ-NDEPHWFRSA-N 519.711 4.782 0 40 KJAB CCCOc1ccc(N2C(=O)C[C@@H](N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2=O)cc1 19367741 LTULUFULYHQBDV-HHHXNRCGSA-N 519.592 4.793 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(Br)cc2)Cc2ccccc2)cc1 20010307 NNQCSYJDTGNIDO-LJQANCHMSA-N 501.446 4.826 0 40 KJAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@@H](C)c2ccc(Br)cc2)cc1 20010394 AXQSSFMSNHFJNV-FQEVSTJZSA-N 515.473 4.868 0 40 KJAB COc1ccc(CN(C[C@@H]2CCCO2)[C@H](c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2C2CCCC2)cc1 20082688 HTWWGMTWKMRPHM-LBNVMWSVSA-N 528.657 4.717 0 40 KJAB COc1cc([C@@H](c2sc3nc(C)nn3c2O)N2CCC(Cc3ccccc3)CC2)cc(OC)c1OC 23157988 UXSHYCMISHWBQT-QHCPKHFHSA-N 508.644 4.875 0 40 KJAB CCCOc1ccc(-c2nc3s/c(=C/c4ccc(-c5ccc(C(=O)OCC)cc5)o4)c(=O)n3n2)cc1 26779643 DYTQGKYVTWGOQW-XQNSMLJCSA-N 501.564 4.591 0 40 KJAB CCCOc1ccc(C(=O)[C@H]2[C@H](c3ccc(-c4cccc(F)c4)o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 32624080 YFKDPQBDBKWUKB-DPLHUUCSSA-N 506.452 4.978 0 40 KJAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC2CC2)cc1)Nc1ccc(Cl)cc1 33058647 MNGDNQJCEANRTH-UHFFFAOYSA-N 519.026 4.721 0 40 KJAB CCOc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4ccc(OC)cc4OC)cc3)cn2)cc1 49421944 MQUIRZSRRPIQSC-UHFFFAOYSA-N 500.555 4.852 0 40 KJAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccco4)cc3)cc2)n1 59852920 FKDARYDIGDQMRA-AREMUKBSSA-N 563.661 4.514 0 40 KJAB Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)S(C)(=O)=O)c1 59883283 KWIGGDVZQGKKPI-UHFFFAOYSA-N 556.493 4.816 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(Cl)c1 60060202 VGSYQRKAXYBDET-UHFFFAOYSA-N 598.846 4.955 0 40 KJAB Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3C(=O)NC[C@H]3CCCO3)C(=O)N21 70700179 URTSUOQWJTVIGT-WRFXRRFCSA-N 534.616 4.868 0 40 KJAB biogenic CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(Br)s3)c2=O)=N1 97972295 ZEPNCOLCTASRBO-XLCPLWEUSA-N 537.888 4.664 0 40 KJAB COc1ccc(OC)c([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2c(C)cccc2C)c1 100365272 FLHHSUMTCYNENV-SSEXGKCCSA-N 541.652 4.899 0 40 KJAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc(C(F)(F)F)c1 100407919 LQNDPCWMNXBFDH-UHFFFAOYSA-N 595.665 4.710 0 40 KJAB Cc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccccc1)N1[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3[C@H](c3ccccc3)N21 101598782 MXMUZKZWMUCQNP-NPHSDDHZSA-N 582.660 4.748 0 40 KJAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc(Br)cc1Br 102589693 FSYWWDDLDRCCNO-UHFFFAOYSA-N 574.291 4.572 0 40 KJAB O=C(NCCCN1CCN(c2ccccc2F)CC1)c1ccc(Cn2c(=S)[nH]c3ccc(Br)cc3c2=O)cc1 102753439 CMAVQFJJHBXACI-UHFFFAOYSA-N 610.553 4.951 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)c1 102938218 UOBDRXITUUKTTM-UHFFFAOYSA-N 572.492 4.783 0 40 KJAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(Cl)cc(Cl)c3OC)cc2Cl)CC1 105316625 WPFKMPJWGRLJSQ-UHFFFAOYSA-N 529.877 4.841 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 108449253 BERRLWZQFYTLHY-PMERELPUSA-N 642.797 4.836 0 40 KJAB biogenic O=c1/c(=C/c2cccc(I)c2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 197695265 PUBXUVPEMHNRFC-QKSFETHESA-N 546.433 4.923 0 40 KJAB O=C1S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1Cc1ccc(I)cc1 215181435 WCBGJPFENIBFMW-OVCLIPMQSA-N 516.154 4.996 0 40 KJAB COc1ccc(N(CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)S(C)(=O)=O)cc1OC 215926521 XPLCVSJMZJQSRV-UHFFFAOYSA-N 539.654 4.658 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 222616619 BFWFVSJUYYPFGL-JYFHCDHNSA-N 529.747 4.614 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 222721432 DYCGUPCVRCNRBD-DEOSSOPVSA-N 565.736 4.839 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](CC)C(=O)NC(C)C)S(C)(=O)=O 222768703 ONWVILCXSMODCM-QFIPXVFZSA-N 542.529 4.654 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](CC)C(=O)NC)S(=O)(=O)c2ccc(Br)cc2)cc1 222988605 MOYLREPWLLLHFY-MHZLTWQESA-N 616.578 4.905 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 223037816 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COc1ccccc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 224473833 WQSHPUBTKTUTIL-SANMLTNESA-N 630.605 4.779 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 224671625 NDAYLJKDWPRFKA-QFIPXVFZSA-N 542.101 4.787 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 224755308 GOZDZKRNOBIFAB-DEOSSOPVSA-N 541.758 4.970 0 40 KJAB O=C(NCc1ccccc1CN1CCCCC1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 224829568 ULCZGLFUKSKABD-JOCHJYFZSA-N 538.541 4.838 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 225150708 YATDJSKWCRKQOF-MHZLTWQESA-N 539.673 4.663 0 40 KJAB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C[C@@H]2CCCO2)cc1OC 225182565 SDGMCILSCDLXOI-CNVLFFCLSA-N 505.644 4.596 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 225217903 ICOMQEZPFAOSER-GOSISDBHSA-N 617.404 4.620 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 225270046 NVMNTHZTRKMASR-MHZLTWQESA-N 573.662 4.502 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 225271633 JSKVLVUEGQMNNB-MHZLTWQESA-N 556.128 4.662 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)OC)c3)o2)ccc1OC 225310106 DVBSQLGMRMUCHK-WUFINQPMSA-N 572.643 4.899 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 225503964 HUUQLQUGWHVBAN-MHZLTWQESA-N 592.108 4.941 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 225623442 ATDRUYJOFJRCCL-GDLZYMKVSA-N 606.144 4.930 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225653488 CAWNMFSENVMWEM-HRAATJIYSA-N 546.492 4.621 0 40 KJAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCCCNc1ccnc2cc(Cl)ccc12 225996816 MGSHAHPTAPCWBI-UHFFFAOYSA-N 523.058 4.698 0 40 KJAB CNc1nc(-c2ccc(OC)c(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(OC)cc3)c2)cs1 226077647 IHJIZHWMZWTIII-UHFFFAOYSA-N 552.678 4.699 0 40 KJAB COc1cccc(S(=O)(=O)N2CCC(COc3ccc(F)cc3)(CC(=O)N(C)Cc3ccccc3)CC2)c1 257221271 DOGGYYLWYSTCFC-UHFFFAOYSA-N 540.657 4.733 0 40 KJAB CCC[C@H](O)[C@]1(CC)C[C@H](C)[C@](O)([C@]2(C)C[C@H](C)[C@H]([C@H](CC)C(=O)[C@H](C)[C@H](O)[C@H](C)[C@@H]3O[C@](O)([C@H](CC)C(=O)O)[C@H](C)[C@H](O)[C@H]3CC)O2)O1 257499134 NZJHONRWXITMMC-ICYOJCESSA-N 700.951 4.675 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3csc(C)n3)c2)C1 260715262 MQSHIHAGUGMHKB-KRWDZBQOSA-N 506.049 4.820 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 260873116 BEDCKWYSWNHGOK-IDISGSTGSA-N 557.663 4.882 0 40 KJAB Cc1ccc(CN(C(=O)CCCN(c2ccccc2F)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 260886891 PRSYTROFIHBHCA-GDLZYMKVSA-N 567.727 4.845 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)cc1 260931688 KYNHGCDHPNDMJR-MUUNZHRXSA-N 570.155 4.827 0 40 KJAB Cc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 260938423 CIMKWZKGFPWTQP-GOSISDBHSA-N 540.513 4.544 0 40 KJAB COc1cccc(CN(C(=O)CCCN(C)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 260980926 KXHLTJNHCPGBTP-WJOKGBTCSA-N 591.774 4.795 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 261102510 WMBBHOCUHZPGKE-GIGWZHCTSA-N 567.727 4.763 0 40 KJAB Cc1cc(C)c(CNC(=O)c2ccc(-c3ccc(N4CCN(C)CC4)nc3)c3c2c(C)cn3C(C)C)c(O)n1 299754583 VVTOOBWRNYVTHP-UHFFFAOYSA-N 526.685 4.992 0 40 KJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 408591581 ISEPBBZYCBZGFG-FQEVSTJZSA-N 527.362 4.996 0 40 KJAB CC1=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@@H]4CC(=O)N(c5cccc6ccccc56)C4)cc3C)C(=O)[C@H]2C1 408662879 MWRVLSBXCHBZEB-ZODMCCGTSA-N 508.574 4.952 0 40 KJAB CCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(Br)cc2CC)cc1 408664811 KJIMSTBLGCDKHJ-UHFFFAOYSA-N 533.419 4.869 0 40 KJAB CCc1cc(Br)ccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)c1 408679611 CSOFOSTUIFHBTK-LPTQZCDUSA-N 527.415 4.733 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 408862991 OBXBHQZUURQGDE-AQIZGWBQSA-N 625.124 4.799 0 40 KJAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NCc1ccccc1Cl 409004773 RAUKKVIYBPUDLU-UHFFFAOYSA-N 507.837 4.610 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)S(=O)(=O)c2ccc(SC)cc2)cc1 409023076 HROVPJSOANUTQC-UHFFFAOYSA-N 541.695 4.779 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409025321 TVAKQBUMXDRMFR-UHFFFAOYSA-N 519.019 4.898 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(I)c(O)c(I)c4)c(=O)n32)cc1 409032407 JGRVSGBDQMARLC-PZDOZLBDSA-N 730.362 4.500 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(I)cc4)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409034821 OMGNEVXIPPBTBQ-VKSQQWFDSA-N 768.626 4.932 0 40 KJAB CCOc1c(I)cc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)OC)=C(CC)N=2 409049340 QKYOJANWJJKPDY-PRWBYUBPSA-N 653.336 4.564 0 40 KJAB COc1ccccc1N1CCN(C(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)CC1 409057122 UFEWLNZLUGBEKX-UHFFFAOYSA-N 562.519 4.850 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)C2CCCCC2)cc1OC 409078186 HFNUIQRZTOHBHM-UHFFFAOYSA-N 500.539 4.685 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)OC 409253931 CNFNHGQKSSHFGX-DJKKODMXSA-N 644.871 4.879 0 40 KJAB CCCOC(=O)c1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(Cl)cc3Cl)n2C)c1 409341110 CPMUDHOBXKJIDQ-AWEZNQCLSA-N 550.468 4.911 0 40 KJAB Cc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)O 409379418 XGVCMJAWGAQOEO-LEWJYISDSA-N 516.333 4.776 0 40 KJAB CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 409411046 STZAVNIHGHRVID-UHFFFAOYSA-N 523.699 4.699 0 40 KJAB O=C(Cn1ccnc1)N1CCC2(CCCCc3ccccc3OCCN(Cc3ccccc3F)C2)CC1 643573662 HFIXJRBHARXAPC-UHFFFAOYSA-N 504.650 4.939 0 40 KJAB COC(=O)c1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1 906065 IZSUPWVIHUBYID-GDLZYMKVSA-N 557.626 4.576 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 2055753 NOSPBYXFUPSOEG-XGLKJEJJSA-N 584.694 4.785 0 40 KJAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)N[C@@H](Cc4c[nH]c5ccc(O)cc45)C(=O)O)c(C)c3cc2c1C 2128180 OMKQWZVVMLVXAB-DEOSSOPVSA-N 516.550 4.704 0 40 KJAB biogenic COC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OC)C1c1cc(Br)c(O)c(OC)c1 2796882 YMASZMMWFDYMRC-UHFFFAOYSA-N 522.779 4.530 0 40 KJAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)/C=C/c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3Cl)ccc21 3373921 ORNCEFZZMZRVCU-SINXNMPMSA-N 555.056 4.527 0 40 KJAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(I)ccc3Cl)cc2)CC1 4109507 GLOUWGKGINKEAP-UHFFFAOYSA-N 570.884 4.520 0 40 KJAB CCOc1ccc2nc(NC(=O)CN3CCC(n4nnc5cc(C(F)(F)F)ccc54)CC3)sc2c1 8828659 PHQQBFKDTXONPB-UHFFFAOYSA-N 504.538 4.734 0 40 KJAB CCOc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2cccc(OC)c2)c1 12714342 CVGFAJDUDGNODB-HHHXNRCGSA-N 515.614 4.528 0 40 KJAB COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)c(F)c2)c1 13029735 FRVNKZFODHBEGQ-MUUNZHRXSA-N 515.589 4.721 0 40 KJAB CC(C)CCNC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(F)(F)F)c1 13031031 GFEFLWKCJRQTOS-RUZDIDTESA-N 524.547 4.782 0 40 KJAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@@H]1C 13148572 LWJMYRHKZPURSK-RBDMOPTHSA-N 506.676 4.944 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(CCc3cccc(C)c3)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 13495958 VVXDGJFBOBDBSE-XCZPVHLTSA-N 530.673 4.597 0 40 KJAB O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 15990477 HQSIGFXCYUDQCL-ODAXIHTASA-N 505.361 4.511 0 40 KJAB COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c(OC)c1 16043029 PMFNNFMCELNYRP-RMHLNUKZSA-N 511.615 4.638 0 40 KJAB biogenic COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1 19856664 DXWMXKSRUXMKQR-UHFFFAOYSA-N 501.004 4.886 0 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4.677 0 40 KJAB COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)c(F)c2)c1OC 100365367 DITYJKCWXSFBQW-NDEPHWFRSA-N 545.615 4.729 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 100393390 YNNNCYWWYZUUSK-MFOYZWKCSA-N 569.473 4.926 0 40 KJAB COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2c2ccccc2)cc(OC)c1OC 102760116 ORNQRVQPUKWWID-STROYTFGSA-N 510.546 4.917 0 40 KJAB CCOc1ccccc1C(=O)[C@@H]1[C@H]2CCCN2[C@]2(C(=O)Nc3c2ccc(C)c3C)[C@]12C(=O)Nc1ccccc12 102769475 QEBRGKUXJSEWSI-HCTNYXOCSA-N 521.617 4.717 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 222632547 IWQUVNBADGCHOB-HHHXNRCGSA-N 600.579 4.725 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 222632851 FVMAVPCIELJHQK-QHCPKHFHSA-N 551.709 4.613 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 223235732 XFGDPYFAUXYCNK-FGZHOGPDSA-N 580.589 4.944 0 40 KJAB 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4.796 0 40 KJAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 224600767 RFPHCNBRDNMPPG-SANMLTNESA-N 572.127 4.530 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224802583 ANIZJODAMQQVEK-LJAQVGFWSA-N 549.737 4.543 0 40 KJAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)O)cc2)c1 224849080 UMXWRHBQASYQRQ-LOSJGSFVSA-N 500.580 4.765 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 224989725 XEFCIRFXXLNXKI-DNQXCXABSA-N 551.709 4.531 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 225022985 GNLNOYVNTOTYOI-JWQCQUIFSA-N 565.736 4.839 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225102420 SHCOMJQCRAGOPZ-RUZDIDTESA-N 620.555 4.653 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 225181585 IHGYQTJWUFKXEC-NDEPHWFRSA-N 569.699 4.672 0 40 KJAB 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GKGSWWFIEFFRSI-GTTXMTDLSA-N 717.194 4.922 0 40 KJAB CN1CCCCN(S(=O)(=O)c2c(F)cccc2F)[C@@H](Cc2ccccc2)COc2ccccc2C1=O 643562172 JARGLUKJAXUPTN-NRFANRHFSA-N 514.594 4.512 0 40 KJAB CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1cccc(CN2CCC(C(N)=O)CC2)c1 675082868 VUSHKDLWABXJGQ-UHFFFAOYSA-N 597.760 4.836 0 40 KJAB COc1cc([C@H]2O[C@@H](c3ccc(OC(=O)c4ccc(O)cc4)c(OC)c3)[C@@H](CO)[C@@H]2CO)ccc1OC(=O)c1ccc(O)cc1 1772591149 JGRLOCRAWZZZIB-NWDGNEFISA-N 616.619 4.583 0 40 KJAB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(NC(=O)/C=C/c4ccccc4)cc3)n2C)cc1 680503 WZGFOYDUNJINNE-CAOOACKPSA-N 527.606 4.651 0 40 KJAB COc1ccc(CN(Cc2cc3ccc(OC)cc3[nH]c2=O)S(=O)(=O)c2ccccc2Br)cc1 1221860 ZOUHBBRGMKWZGT-UHFFFAOYSA-N 543.439 4.699 0 40 KJAB CCCCc1cc(=O)oc2cc(OC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)ccc12 2092238 GRBOZQAAJJARNL-SANMLTNESA-N 519.619 4.939 0 40 KJAB biogenic CCOC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OCC)C1c1cc2c(cc1Br)OCO2 2797125 UZFBVWKCMHTCDP-UHFFFAOYSA-N 532.362 4.810 0 40 KJAB Cc1onc(-c2ccccc2)c1C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 3433461 FGIFEMHFLSATMC-UHFFFAOYSA-N 547.477 4.834 0 40 KJAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN(c4cc(Cl)ccc4C)CC3)cc2c1 6134059 VWBBPMAENCGTBZ-HHHXNRCGSA-N 548.091 4.902 0 40 KJAB Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)[nH]c2c1C 6441938 WRWIQMQEHNCKPL-XMMPIXPASA-N 539.606 4.817 0 40 KJAB CCc1ccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)[C@H](C(=O)NC2CCCC2)c2ccc(OC)cc2)cc1 6822031 GRZJNHZFZCYJPS-LJAQVGFWSA-N 556.642 4.884 0 40 KJAB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)S(C)(=O)=O)c1 10329513 ZDSJHTPIUXMHLO-NRFANRHFSA-N 529.684 4.514 0 40 KJAB CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2cccs2)c1 13031709 MYCAGCHVJMLKSS-SANMLTNESA-N 503.628 4.632 0 40 KJAB Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)c2cc3c4c(c2)CC(=O)N4CCC3)cc1 13097039 VRAFUMGZGPNDKX-UHFFFAOYSA-N 514.603 4.601 0 40 KJAB CCOc1ccc(N2C(=O)[C@@H](C)S[C@]23C(=O)N(CN2CCN(c4ccccc4)CC2)c2ccccc23)cc1 19818400 ZYCQCVSNFXTPKG-YKGWIAGDSA-N 528.678 4.533 0 40 KJAB Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1C 19826496 DCPXBYPAVIKKIC-MHZLTWQESA-N 515.637 4.687 0 40 KJAB Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCC3)N3CCN(c4cccc(C)c4C)CC3)c(=O)[nH]c2c1 20079684 NVGADUJDPBLZHN-MUUNZHRXSA-N 511.674 4.775 0 40 KJAB COc1ccc(N(CC(=O)NCCSCc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1Cl 20234752 RBAJLNLJKUGYJJ-UHFFFAOYSA-N 519.088 4.902 0 40 KJAB c1ccc(C(c2ccccc2)N2CCN(c3nc(N4CCOCC4)nc4c3cnn4-c3ccccc3)CC2)cc1 20463759 XGEFISKRTGVTHI-UHFFFAOYSA-N 531.664 4.564 0 40 KJAB Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N(Cc3ccccc3)Cc3ccco3)cc2c1 57608511 XPNXGXIVMSDYIV-LSYYVWMOSA-N 524.625 4.695 0 40 KJAB COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cc(Br)cc(C)c1OC 59331647 UTEYLFBIWMGDTO-UHFFFAOYSA-N 518.389 4.747 0 40 KJAB COc1ccc(CC(=O)NCc2nnc(SCC(=O)N3CCCc4ccccc43)n2-c2cccc(Cl)c2)cc1 97961634 ZQQLGIVKEOWFLL-UHFFFAOYSA-N 562.095 4.860 0 40 KJAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2O)cc1 97982902 VSNRFHFEHLYQMC-UHFFFAOYSA-N 597.671 4.653 0 40 KJAB CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 97982931 VFYGDTGLPIDJTI-UHFFFAOYSA-N 576.716 4.756 0 40 KJAB CCc1ccc(-n2c(=O)c3ccc(C(=O)NCCc4ccccc4)cc3n(CC(=O)NCCC3=CCCCC3)c2=O)cc1 100036839 GWMBOHSDDGOYID-UHFFFAOYSA-N 578.713 4.694 0 40 KJAB CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 100372393 ZLODHJLLMFQGME-AHWVRZQESA-N 560.699 4.524 0 40 KJAB CCOc1ccccc1N(C(=O)CCC(=O)Nc1cc(C)on1)[C@@H](C(=O)NC(C)(C)C)c1ccc(OC)cc1 100418114 OORLWZYJXNQOAG-HHHXNRCGSA-N 536.629 4.798 0 40 KJAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 102908218 DARSMPLINIXFFE-UHFFFAOYSA-N 548.974 4.844 0 40 KJAB Cc1ccc(N2C(=O)C[C@H](C(=O)O[C@@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)[C@H]2c2cccs2)cc1 103121154 WZVYESLTWQNGNM-XAXKJMDRSA-N 558.660 4.519 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C\c3cc4c(cc3Cl)OCO4)c2=O)=N1 103755250 SVZYJMPZRJSKQS-QJWUKVPRSA-N 619.921 4.732 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)c(=O)n2[C@H]1c1cccc(OC)c1 103881784 TYJPWSWNXLHISN-UAMLYEQYSA-N 581.669 4.949 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)c1 113625874 JOLYYXRBPZVEDD-UHFFFAOYSA-N 561.454 4.777 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 222669539 MYXYFYGWWURTMU-IBGZPJMESA-N 541.636 4.584 0 40 KJAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1 222676359 OGKPGKUTFDDYOJ-INIZCTEOSA-N 501.402 4.607 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1 222679580 NIJCAWCSXGVBGS-DEOSSOPVSA-N 535.710 4.831 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCCC2=CCCCC2)cc1 222791766 WJLRSNXXYJPFJL-JOCHJYFZSA-N 560.160 4.995 0 40 KJAB COc1ccccc1CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 222800440 HBEPDHMAQPPPDI-QHCPKHFHSA-N 598.165 4.799 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)c1ccc2c(c1)OCCO2 222817539 UTKSYOPSEXIHAF-NDEPHWFRSA-N 672.642 4.789 0 40 KJAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCc2ccncc2)cc1OC 223034551 BBQNZKWYNCNNRY-NDEPHWFRSA-N 523.633 4.598 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 223722578 AVECNOJEBLAIDX-AREMUKBSSA-N 609.551 4.522 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 223862039 YDLMMKLSEWNHEF-LJQANCHMSA-N 538.085 4.501 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 224002456 FBGVVXJJYBTMGO-HHHXNRCGSA-N 600.579 4.690 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 224128582 FWSHFYFEVFZDKM-MUUNZHRXSA-N 570.155 4.889 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224363603 CZLIBOKFSGNEFU-MRXNPFEDSA-N 582.472 4.968 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 224492855 KFKFUEIDFWHFEX-FQEVSTJZSA-N 548.920 4.665 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224519437 XPMMFERQAQBMQZ-SELNLUPBSA-N 534.484 4.501 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224522539 NFXBNMHHJGKEHP-AREMUKBSSA-N 539.673 4.601 0 40 KJAB CN(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 224785424 NCXNCGPLGSGEEF-NDEPHWFRSA-N 568.139 4.659 0 40 KJAB O=C(NCc1ccccc1CN1CCCCC1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 224830497 ZEUVXKZTYHXYTI-MHZLTWQESA-N 540.085 4.599 0 40 KJAB Cc1ccccc1OCCNC(=O)c1ccc(CN(c2ccc(Br)cc2F)S(C)(=O)=O)cc1 224895415 FRHSEKFIWMWMNE-UHFFFAOYSA-N 535.435 4.672 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)c2cccc(C(F)(F)F)c2)cc1 224985228 GXHYAYRZJWDZBN-UHFFFAOYSA-N 533.572 4.684 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 224992055 VPXHBAXQJRIQPC-QHCPKHFHSA-N 583.776 4.864 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 225168327 YFPMMKURWZMDSZ-VWLOTQADSA-N 534.122 4.671 0 40 KJAB COc1ccc(OCC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC2CCCCC2)cc1 225176326 QKUHZNMNJLRLJT-GOSISDBHSA-N 503.437 4.703 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1cc(OC)cc(OC)c1 225481835 FIZQBMLDXBCGEJ-NDEPHWFRSA-N 522.617 4.778 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 225630712 BHLOQGMZWUAICC-SSEXGKCCSA-N 636.170 4.939 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(OC)cc1 225635830 OKXZWXPVTPQZSW-NDEPHWFRSA-N 504.627 4.639 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 225724282 GSJNAMNGGHVFNR-UHFFFAOYSA-N 561.748 4.736 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)C2CCCCC2)cc1 226064064 WFRIUPXQMSXFOL-HKBQPEDESA-N 605.757 4.562 0 40 KJAB CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 226086863 KBGLREKGBXQGFD-UHFFFAOYSA-N 509.466 4.758 0 40 KJAB CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)cc2)sc2c1CCN(C)C2 238847322 IPUYQZSVKZUCBS-GDJIYFAZSA-N 559.754 4.754 0 40 KJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(COc2ccc(F)cc2)(CC(=O)N2CCN(C)CC2)CC1 257318367 VNPQRNSOZWHASO-UHFFFAOYSA-N 569.077 4.908 0 40 KJAB CCc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](CC)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 260705120 JAKPUWTVOYGXLT-GDLZYMKVSA-N 549.737 4.819 0 40 KJAB Cc1c(Cl)cccc1N(CCCC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O 260869112 KBOPQOTWMSNXBF-LJQANCHMSA-N 542.529 4.790 0 40 KJAB Cc1cc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)ccc1Br 260884736 DHIBBCPZFBMIRH-LJQANCHMSA-N 582.536 4.529 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1 260884766 JOSYHKXQLMWVPJ-MRXNPFEDSA-N 578.946 4.611 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)c(OC)c1 260900890 HVAZDCBTYYUDOV-WJOKGBTCSA-N 621.800 4.867 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)cc1OC 260998301 PBZZKIRVECOKIG-MUUNZHRXSA-N 672.642 4.931 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 261001711 FIAPHTKXHXJOBY-DFHRPNOPSA-N 647.611 4.756 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 261078442 QTKWZJULJLZNNG-DHIFEGFHSA-N 592.806 4.779 0 40 KJAB COc1ccc(Cl)cc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(Br)cc1Cl 408644593 GYOSFSAVRYWYHA-UHFFFAOYSA-N 504.164 4.665 0 40 KJAB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408650030 ZALPRUWJUPUTEZ-LSBZLQRGSA-N 517.807 4.764 0 40 KJAB Cc1nnc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccc(Oc5cccc(C)c5C)cc4)cc3C2=O)s1 408690409 VFSXLHDNTYPAIX-UHFFFAOYSA-N 542.573 4.852 0 40 KJAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)cc2F)CC1 408701455 YFIINJWMZYZDPZ-UHFFFAOYSA-N 513.429 4.760 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 408730718 UOFFLRJBIPRNRW-RISWYLRJSA-N 609.498 4.838 0 40 KJAB O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)NC1CCCCC1)OCc1ccccc1 408736917 JRDZBBACJXXTDO-HXUWFJFHSA-N 648.279 4.888 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408849302 ZEEANQAYPOMYJE-ZRELAVNMSA-N 730.362 4.500 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccccc5)c(OCC)c4)c(=O)n32)cc1OCC 408941587 WGXSLRILNOMQOH-MNSGKFKFSA-N 614.720 4.793 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)c2ccccc2OC)cc1 409024325 JTNXLYQWXGJLCH-UHFFFAOYSA-N 509.411 4.522 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409050015 RZXPBQNIGNKNIW-NAIWQIQESA-N 681.561 4.771 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)c(OCC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OC 409091837 SIBGGDXMZHMULQ-NCKPAOEESA-N 815.477 4.523 0 40 KJAB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCCCCC4)c4ccccc34)N(CC(=O)OC)C2=S)cc1 409138062 ZLLGVEZAWQWVJF-IMRQLAEWSA-N 574.703 4.590 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1OC 409169921 SYHQOAFVTPAIGZ-NVMNQCDNSA-N 583.844 4.728 0 40 KJAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)C1=O 409221659 ULFFHFBOSHAWTC-OEAKJJBVSA-N 611.436 4.973 0 40 KJAB CCCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc1OCC 409270588 HLOOKQJQUHVONT-UYRXBGFRSA-N 525.465 4.931 0 40 KJAB CCCOC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3Cl)n2CC)c1 409354215 ALGNUKMIKNKIJB-MRXNPFEDSA-N 530.050 4.740 0 40 KJAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1C 409411254 VGSPNYOMEWVXOU-GOSISDBHSA-N 580.526 4.660 0 40 KJAB COCCOc1cccc(CNC(=O)c2ccc3c(c2)Cc2cccc(c2)CN(C2CCOCC2)CCOCCO3)c1 643580307 UIHJEBASCSIXSE-UHFFFAOYSA-N 574.718 4.623 0 40 KJAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)NCC[C@@H]3CCCCN3C3CCCC3)ccc21 643583734 JFNTZXDXRJCQNO-MHZLTWQESA-N 512.739 4.637 0 40 KJAB CCOC(=O)c1c(C)nc2sc3c(=O)n(-c4ccc(OC)cc4)nnc3c2c1-c1ccc(OC)cc1 643011 LNVREEXYXVGXSQ-UHFFFAOYSA-N 502.552 4.560 0 40 KJAB COc1ccc2cc(CN(CCc3ccccc3)S(=O)(=O)c3ccccc3C(F)(F)F)c(=O)[nH]c2c1 918016 KQZDOEIDPCPBRY-UHFFFAOYSA-N 516.541 4.989 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1ccc(O)cc1)N(Cc1ccccc1)C(=O)[C@@H]1COc2ccccc2O1 930936 BUAYIUAALMOGSI-NSOVKSMOSA-N 500.595 4.751 0 40 KJAB C[C@@H](Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O 2126814 WEEYIODOKASRRM-BZQUYTCOSA-N 546.963 4.880 0 40 KJAB biogenic O=C(Nc1ccccc1I)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 2653619 MYWAKVMLMIZTJG-UHFFFAOYSA-N 512.756 4.998 0 40 KJAB COc1ccc(Cl)cc1N1C(=O)/C(=C/c2sccc2C)N=C1SCn1nnc2ccccc2c1=O 3453035 KVNLFDYQMYRNMF-PDGQHHTCSA-N 524.027 4.958 0 40 KJAB CCOC(=O)c1nnsc1NC(=O)Nc1ccc(Cc2ccc(NC(=O)Nc3snnc3C(=O)OCC)cc2)cc1 5822958 JMILYTJKJYXVML-UHFFFAOYSA-N 596.651 4.622 0 40 KJAB CC(C)c1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)C)c2c[nH]c3ccccc23)cc1 6190793 OIZABZHUHKNNBL-QHCPKHFHSA-N 532.670 4.732 0 40 KJAB Cc1ccc(Cl)cc1N1CCN([C@H](c2cc3cccc(C)c3[nH]c2=O)c2nnnn2Cc2ccccc2)CC1 6443891 CXXCIBYSPFTDEX-MUUNZHRXSA-N 540.071 4.745 0 40 KJAB CCOc1ccc(OCC)c(NC(=O)CSc2nc3sc4c(c3c(=O)n2CCCOC)CCC4)c1 6600677 MQMZMCMERFQHKG-UHFFFAOYSA-N 517.673 4.511 0 40 KJAB CCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NCc4ccccc4)C(=O)N23)cc1 8608725 YTYDFHNEPBUSGD-RUZDIDTESA-N 555.660 4.512 0 40 KJAB COc1ccc(NC(=O)C2(N(Cc3cccnc3)C(=O)CN3C[C@H](c4ccccc4)NC3=S)CCCCC2)c(OC)c1 8695920 XGEJGKVZGQSWNI-HHHXNRCGSA-N 587.746 4.700 0 40 KJAB COc1cc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)ccc1NC(=O)c1cc2ccccc2o1 8832855 RNVYHPAPTWHMIX-UHFFFAOYSA-N 503.536 4.592 0 40 KJAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1 10444427 SKOQYZWUYGSVPA-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21 13032588 FXXUCGJNXBFHQU-RUZDIDTESA-N 505.644 4.576 0 40 KJAB Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccccc4F)CC3)c(=O)[nH]c2c1 19940947 WORDVCACVVYKJE-MHZLTWQESA-N 515.637 4.687 0 40 KJAB Cc1cc(C)c2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCN(c4cccc(C)c4C)CC3)c(=O)[nH]c2c1 20079674 ZFFLCTORDSSQAI-PMERELPUSA-N 533.680 4.708 0 40 KJAB CCOc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCN(c3cccc(Cl)c3)CC2)cc1OC 22627146 ZRXOJEXVURUWID-JOCHJYFZSA-N 514.051 4.777 0 40 KJAB Cn1c(COc2cccc3cccnc23)nnc1SCCCN1C(=O)c2cccc3cccc(c23)C1=O 27228942 VYFBUZKVMDBDIR-UHFFFAOYSA-N 509.591 4.874 0 40 KJAB COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 28627778 SWJLTDOVVYYLMN-OWXSRONMSA-N 516.022 4.536 0 40 KJAB CN1CCN(C(=O)C[C@@H](C2=Cc3ccccc3OC2)c2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)CC1 97971956 NWPLIHJNYNWKJR-QHCPKHFHSA-N 538.600 4.595 0 40 KJAB biogenic COc1ccc(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cc1S(=O)(=O)N1C[C@H](c2ccccc2)CC1=O 98005941 BMSUFXUMVJWQBB-LJQANCHMSA-N 599.090 4.736 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 100221160 YNSFYKOVUJWGGJ-LYRGBEMXSA-N 566.994 4.549 0 40 KJAB CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(Br)c(O)c(OC)c4)[C@H]3C2=O)cc1 101237981 HOPXOLNOZVTPEY-AKFKNWHVSA-N 523.383 4.777 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(COc4ccc(F)c(Cl)c4)o3)c(=O)n2[C@@H]1c1ccccc1 103253406 BMPBANDWKJQNPC-AQIZGWBQSA-N 553.011 4.763 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1cccc(OC)c1 150394604 MQORDLTUXPICPG-KYRGTEIWSA-N 635.536 4.724 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(I)c(OC)c(I)c3)c2=O)=N1 164183978 STCJCVMELRYZJO-RWTNITNYSA-N 774.415 4.814 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 222452059 SBIWHGKPAMTORJ-GDLZYMKVSA-N 636.170 4.939 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 222546441 CFBQJWHKCHDRDI-QHCPKHFHSA-N 542.529 4.872 0 40 KJAB COC(=O)c1cn(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)c2ccccc12 222608995 HIVBNCHECBQUFY-OAHLLOKOSA-N 509.411 4.617 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 222623730 CUFSOQMLSZCAEX-SFHVURJKSA-N 566.482 4.800 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 222644676 NVVRRJFNPYJNSA-HXUWFJFHSA-N 562.519 4.969 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 222687764 YDQSZNWIIRDGEK-LJQANCHMSA-N 548.492 4.660 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 222757197 MLEUJNPGEITZFM-SANMLTNESA-N 576.546 4.762 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(C)cc1 222861796 HOCJUDBKDGBPGC-IBGZPJMESA-N 578.518 4.669 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 223041754 LHXRCNGNYZODTJ-IBGZPJMESA-N 622.969 4.860 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 223070300 MXSRQRYICFKUCS-MHZLTWQESA-N 535.710 4.669 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 223299880 DCHHBBZYMUJLGP-MRXNPFEDSA-N 548.920 4.746 0 40 KJAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 223472084 VVQGWYNJKCEYJA-AREMUKBSSA-N 556.128 4.748 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223623548 CRZZYNFAJALWOO-JIPXPUAJSA-N 574.118 4.800 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 224436648 CBKCEXWKVXODAT-SANMLTNESA-N 604.144 4.809 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)[C@@H](C)C(=O)NC1CCCCC1 224692595 YAKUIUJXIUOUPP-VWLOTQADSA-N 605.757 4.828 0 40 KJAB O=C(NCc1cccc(CN2CCOCC2)c1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 224717757 HSEYPSKDMBKPNC-UHFFFAOYSA-N 555.700 4.844 0 40 KJAB Cc1ccc(CN(C(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)cc1 224748996 YYVFQLNLBCGMNE-QFIPXVFZSA-N 531.694 4.547 0 40 KJAB Cc1c(Cl)cccc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 225135427 BJBTYKATJZNZOO-IBGZPJMESA-N 554.540 4.934 0 40 KJAB O=C(Nc1nnc(SCc2ccccc2)s1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 225174824 ZWVPPLCCWURPSV-SFHVURJKSA-N 523.105 4.664 0 40 KJAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1OC 225183299 BZUSBZMTOHMWJY-IHLOFXLRSA-N 576.767 4.756 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 225244301 DHHVWNUKHJTSAQ-FQEVSTJZSA-N 574.541 4.702 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225265770 JBIIGYZBVZRSNR-HHHXNRCGSA-N 599.725 4.680 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 225277516 DPXWBIKHVHWJBH-RBUKOAKNSA-N 572.555 4.880 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 225302308 WZVBELTWDISGKP-HSZRJFAPSA-N 542.529 4.873 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 225361480 DSNBIHPBTHMDAC-XZOQPEGZSA-N 569.699 4.670 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 225385441 YPROOMLTKUVKFN-JOCHJYFZSA-N 542.101 4.624 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 225403857 OYDCZKSVYOWLBM-NDEPHWFRSA-N 569.699 4.672 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 225499342 GYXMQEPAZYFTGP-LJAQVGFWSA-N 576.118 4.921 0 40 KJAB O=c1sc2cc(S(=O)(=O)Nc3ccc(I)cc3)ccc2n1Cc1ccccc1 225739247 RXUPZCODQJSQCS-UHFFFAOYSA-N 522.389 4.517 0 40 KJAB CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(O)c4nnn(Cc5cccc(Cl)c5)c4n3)C2)cc1 229922377 NNIXKXFKYXAYMZ-JOCHJYFZSA-N 674.249 4.540 0 40 KJAB 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519.491 4.724 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408734807 KBOBVQGPYZMFIL-VVOOWDFBSA-N 621.937 4.717 0 40 KJAB CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 408781632 DFWWZOYJSQDNJB-UHFFFAOYSA-N 510.450 4.792 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(I)c3O)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408835066 WTEWKCQKTDTKMV-JGZDWKDESA-N 638.911 4.549 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408836260 ZUELZEOZHQDUAY-GJFKPFFXSA-N 662.546 4.597 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 408997338 NUMVNNTUPLXCSF-VFHYMGCCSA-N 622.484 4.549 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC 409024813 HPOKFBLQIGCLCW-UHFFFAOYSA-N 565.692 4.909 0 40 KJAB CCOc1c(I)cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1OC 409059138 PRYRQAOYBIEOCB-BOPFTXTBSA-N 511.337 4.948 0 40 KJAB COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2Cl)cc1 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CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2)c1ccc(C)cc1 643584175 HTJHABHZZDEAKS-SSEXGKCCSA-N 515.698 4.897 0 40 KJAB CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCCOc2ccccc2)NC(=O)c2ccccc2OCCCCCCN(C)C(=O)[C@H](Cc2ccccc2)NC1=O 1615154403 FROMJKRYFRMYMZ-FSEITFBQSA-N 755.957 4.820 0 40 KJAB Cc1ccccc1N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 903745 SDNKWBOPXHMANS-IGKIAQTJSA-N 563.033 4.511 0 40 KJAB CCc1ccc(N(C(=O)c2cnccn2)[C@H](C(=O)NC2CCCCC2)c2ccc(OC)c(OC)c2)cc1 921515 ZRYNBBBDJDJGFR-MHZLTWQESA-N 502.615 4.893 0 40 KJAB COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 923389 GRTJMRFBVAMJFN-UHFFFAOYSA-N 534.634 4.624 0 40 KJAB COc1ccc(-n2c(=O)c3c4c(sc3n3c(SCc5ccc6c(c5)OCO6)nnc23)COC(C)(C)C4)cc1 1251378 XOAIJWFGRHIWRF-UHFFFAOYSA-N 548.646 4.976 0 40 KJAB Cc1c(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 2125042 LDIUZAWBGGMIGB-DEOSSOPVSA-N 515.493 4.714 0 40 KJAB biogenic 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CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 224118192 RPASTOSEUVFXJQ-GDLZYMKVSA-N 563.720 4.757 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 224128990 XYCBTVAXMCPOMM-HHHXNRCGSA-N 586.154 4.589 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)c1 224248917 BSZNURNMICDUSB-QFIPXVFZSA-N 602.153 4.742 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 224361259 QYNVNCROVVCAEG-GDLZYMKVSA-N 567.727 4.881 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 224436909 PMHIPDUGHRQKKD-NDEPHWFRSA-N 628.589 4.584 0 40 KJAB Cc1cccc(N(CC(=O)NCc2cccc(CN3CCCC3)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 224607109 VUUUABOSCOGVPZ-UHFFFAOYSA-N 512.075 4.756 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 224639416 WTJWAKWPRQWXLN-RUZDIDTESA-N 535.710 4.751 0 40 KJAB 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O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)c3ccc(F)cc3)N2C1=O)NCc1cccs1 2967478 QCYJYMYNIVHEFQ-OAQYLSRUSA-N 520.611 4.558 0 40 KJAB CC[C@H](Sc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccc2c(c1)OCO2)C(=O)Nc1cccc(OC)c1 2976276 OFNXTJWSVDBMAY-NDEPHWFRSA-N 588.686 4.528 0 40 KJAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N(C)c4ccccc4)ccc3Cl)cc2)c1C 3215649 PZLJDGQZESPEPU-UHFFFAOYSA-N 575.068 4.823 0 40 KJAB CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)scc12 11757952 SLRUKCKIEWPMRS-UHFFFAOYSA-N 601.106 4.704 0 40 KJAB COc1cc2c(c(OCC(=O)Nc3ccc4c(c3)OCCO4)c1)C(=O)O[C@@H](C)CCCC(=O)CCCCC2 12887417 PBHOUYWLCCQYKT-IBGZPJMESA-N 525.598 4.885 0 40 KJAB biogenic CC[C@H](c1nnnn1C1CCCC1)N(CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 13064401 DQSCPSGATZTVGO-RUZDIDTESA-N 514.630 4.597 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/C3=Cc4ccccc4O[C@H]3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 16736701 WOOMFTLXPWETSK-JVQTWPENSA-N 514.647 4.738 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3sccc3C)c2=O)=N1 22830065 UGGJYLRJTWAULL-XOYGFPHKSA-N 506.052 4.897 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C 33777921 QTKCTOLXKCWATQ-OAQYLSRUSA-N 502.040 4.818 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1Cl 60018425 VHTMOZGACSOMOZ-UHFFFAOYSA-N 561.056 4.985 0 40 KJAB COc1ccc(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2C(=O)O)cc1Cl 100008230 FJJADLPVCVLGLS-UHFFFAOYSA-N 522.602 4.699 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)C3)cc2)cc1 100090647 IDHLAGUGOCRKDW-IBGZPJMESA-N 612.557 4.983 0 40 KJAB COc1cc([C@@H](C(=O)NC2CCCCC2)N(CCc2cccc(C)c2)C(=O)c2cnccn2)cc(OC)c1OC 100305686 ZRAIYYHMYYJNSQ-NDEPHWFRSA-N 546.668 4.686 0 40 KJAB COc1ccc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCN(c4cc(Cl)ccc4C)CC3)c(=O)[nH]c2c1 100342405 LLOPHCXDFBFOPG-GDLZYMKVSA-N 570.097 4.639 0 40 KJAB COc1ccc(CCN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccc(OC)c2OC)cc1OC 100358056 DNJNCTHLIIPQLT-MHZLTWQESA-N 536.625 4.799 0 40 KJAB CC(C)[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 100387717 BQVPPRRGBVFFCP-NDEPHWFRSA-N 558.639 4.877 0 40 KJAB Cc1cc(C)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c1S(=O)(=O)c1ccc(Br)cc1 101309965 KHFLQSUIDIMXOT-UHFFFAOYSA-N 543.361 4.718 0 40 KJAB CC(C)[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 101506406 MBVXBBBUSFLOFU-IDCDSMMUSA-N 545.426 4.683 0 40 KJAB CCOC(=O)C1=C(COC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)NC(=O)N[C@H]1c1ccco1 102220574 AATBDAPHAHDJER-MJAMSPNLSA-N 538.560 4.560 0 40 KJAB O=C1C[C@H](Sc2ccc(F)cc2)C(=O)N1c1ccc(N2C(=O)C[C@@H](Sc3ccc(F)cc3)C2=O)cc1 102439259 FHXIJASABBKONU-SZPZYZBQSA-N 524.570 4.813 0 40 KJAB CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N12)C(=O)NCc1ccc(C)cc1 102737752 AMEKDLKSXSZFJV-NAKRPHOHSA-N 611.724 4.607 0 40 KJAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccccc1 102744417 GZQFZDNPGFECFD-VJGNERBWSA-N 526.570 4.505 0 40 KJAB CCCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(OCc5ccccc5)c(OCC)c4)N(C)O[C@H]3C2=O)cc1 102760418 OECCDGFCMGGDOV-UPRLRBBYSA-N 516.594 4.929 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC 105496803 ZKPGIWRVCFDSCJ-RISWYLRJSA-N 565.047 4.729 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(I)cc2C)S(=O)(=O)c2ccc(F)cc2)cc1 105525060 UKSUACJKPKQBIP-UHFFFAOYSA-N 568.408 4.971 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 222998628 FAHXKVDLDPARTL-HXUWFJFHSA-N 590.515 4.645 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCCSCc1cccc(Cl)c1 223023291 FFVBBOHZPWLJNF-UHFFFAOYSA-N 511.109 4.505 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 223206448 BADSLARPYYVGIE-VWLOTQADSA-N 546.064 4.536 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 223358803 WCKDYTMAPMHWEG-HHHXNRCGSA-N 592.108 4.941 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 223447930 WYCCAMNRBDKACY-JOCHJYFZSA-N 602.153 4.886 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 223478732 VUTNALARQLAMOH-RUZDIDTESA-N 565.736 4.841 0 40 KJAB CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)NC)S(=O)(=O)c2ccc(SC)cc2)cc1 223479265 KXIIABRFYPIODY-NDEPHWFRSA-N 583.776 4.598 0 40 KJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 223526028 PIAKHGGFGVKCTQ-VWLOTQADSA-N 565.736 4.575 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C)c(C)c2)c2ccc(C)c(Cl)c2)cc1 223607757 WEMNIBVGYHTIBD-UHFFFAOYSA-N 501.048 4.964 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 223739735 SKKGJXXNUZULNR-QFIPXVFZSA-N 567.683 4.506 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 223784752 OENXUDJCRKMEKD-KDYSTLNUSA-N 618.569 4.909 0 40 KJAB Cc1ccc(CN(C(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1 223813091 UMNIIKUTSRGRCM-NRFANRHFSA-N 534.122 4.671 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 223817679 WAFSEGJIGQFDCG-MRXNPFEDSA-N 560.931 4.889 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 224052731 RKFMGCVFTNUAIQ-VWLOTQADSA-N 577.747 4.983 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 224115943 URQKTVMZDYLBOA-FQEVSTJZSA-N 566.562 4.636 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)[C@@H](C)C(=O)NCC(C)C 224116749 GBGIWDOCKWEDGH-QHCPKHFHSA-N 539.673 4.519 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O 224170907 AAQAYYZCNVVGJW-NDEPHWFRSA-N 586.154 4.671 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 224231458 YVLUBCUOYGQDMP-RUZDIDTESA-N 572.127 4.796 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)c2ccccc2)cc1 224295063 CIKNFXLXKOVZLZ-QHCPKHFHSA-N 569.699 4.609 0 40 KJAB Cc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O 224328846 LLZUTNLHJDTVLG-KRWDZBQOSA-N 562.947 4.911 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 224534057 IVYMOPJMFSOYHM-MUUNZHRXSA-N 583.776 4.864 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 224677412 CBMYVFANKGNCMR-OAQYLSRUSA-N 555.647 4.636 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 224804410 AXKPUUVGGRFEKZ-QFIPXVFZSA-N 562.947 4.847 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 224821403 LSCZFBLRLVWETH-JOCHJYFZSA-N 572.127 4.796 0 40 KJAB COc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)o2)c(OC)c1 224936851 LHVHYJWRLBTGPA-UHFFFAOYSA-N 527.577 4.713 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 224950233 RPYPUHLKMFTZML-MUUNZHRXSA-N 567.727 4.952 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224987735 JCSOXPQBLOLEOD-LJQANCHMSA-N 554.540 4.668 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 225075042 OZPAURQIDPDINZ-VWLOTQADSA-N 542.101 4.869 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 225084915 BCXKELMDIYYBLF-RUZDIDTESA-N 552.112 4.810 0 40 KJAB COc1ccccc1N(CC(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C)S(=O)(=O)c1ccc(C)cc1 225143211 HRGKTVGBBZASNL-UHFFFAOYSA-N 525.652 4.795 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 225228754 JUTLEBOYAYHLJI-SANMLTNESA-N 602.153 4.886 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(OC)cc2)cc1C 225277238 HEAKVHMDPRKROF-WUFINQPMSA-N 527.650 4.951 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 225363351 JBODFOXYNDVQJF-FGZHOGPDSA-N 663.578 4.827 0 40 KJAB 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CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O 225356287 IFKGSSQYOTYWCZ-JOCHJYFZSA-N 518.441 4.703 0 40 KJAB CC[C@H](NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)c(C)c1 225403826 VHFLXXYWCPPCAT-DEOSSOPVSA-N 526.655 4.792 0 40 KJAB CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)cc1 225404716 VXNAKAUHVGSLOY-FTJBHMTQSA-N 533.679 4.820 0 40 KJAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)O)cc3)o2)ccc1NS(C)(=O)=O 225464999 JACYXUJBQNGFHW-LOSJGSFVSA-N 548.646 4.897 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225472951 KUKBAOKOTDOECB-HHHXNRCGSA-N 604.144 4.810 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 225476823 FVEZPQVKMYBMQR-IBGZPJMESA-N 592.943 4.770 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O 225497755 SBCJKYBAIMIJQL-GDLZYMKVSA-N 567.727 4.711 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 225508792 WVDUVFHKINIQCJ-NEKDWFFYSA-N 611.736 4.823 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 225545144 RROKBXIGQRDZHU-MUUNZHRXSA-N 570.155 4.889 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)c1 225654459 WHVRHQNKODFGBZ-QFIPXVFZSA-N 572.127 4.794 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 225701482 HGQZXFQUWOKLIB-NDEPHWFRSA-N 535.710 4.831 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN(C)S(=O)(=O)c1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 225758752 IJKAQSFPSUMKPL-PMERELPUSA-N 563.764 4.808 0 40 KJAB COc1ccc2nc(O)c([C@@H](c3nnnn3C3CCCCC3)N(Cc3cccnc3)C[C@H]3CCCO3)cc2c1 253499303 VFTHIAKMYQBBBM-SQHAQQRYSA-N 529.645 4.606 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 260971988 MOPVQQYUPGPFEB-DQEYMECFSA-N 565.736 4.573 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1 261001740 FJGLRVBGFXWSHW-OAQYLSRUSA-N 572.127 4.876 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 261005482 SJOJGYVXMJOPQH-DQEYMECFSA-N 595.762 4.848 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 261005640 SMUHOKXLEXRBRW-GOTSBHOMSA-N 569.699 4.670 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)cc1OC 261010248 SFOFTBPFJRHIBO-HSZRJFAPSA-N 611.736 4.904 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 261027784 JBTJIOJXSXVHAS-IRPSRAIASA-N 549.737 4.624 0 40 KJAB Cc1cc(Br)ccc1NC(=O)c1cc2cc(Cl)ccc2n1NC(=O)C(=O)NCc1ccc2c(c1)OCO2 408574632 CWZUVZJUODOEOP-UHFFFAOYSA-N 583.826 4.733 0 40 KJAB CC(C)NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2Cl)cc2cc(Br)ccc21 408578934 WZQACVPSVGYOQB-UHFFFAOYSA-N 512.191 4.558 0 40 KJAB C[C@@H](NC(=O)CCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1ccccc1 408646616 BAUVKDCLHDXGOT-CRNFNWSJSA-N 519.428 4.847 0 40 KJAB COc1cccc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408650618 FYNRAODDBIJPOZ-NZSGZAQMSA-N 521.400 4.615 0 40 KJAB O=C(COC(=O)CCCCCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)Nc1ccccc1 408679735 GZCACGDEHZZWOU-RAWLKHAVSA-N 522.601 4.621 0 40 KJAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OCc4ccccc4)c(OCC)c3)c2=O)=N[C@H]1c1ccccc1 408730761 IMLQRNSAEMFJKS-ZIRCPPMYSA-N 554.668 4.885 0 40 KJAB COC(=O)c1ccccc1NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 409083973 WWRIWGOAFNKBNO-UHFFFAOYSA-N 551.846 4.719 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)o3)c2=O)=N1 409095669 IBCMDPOKBSPTAY-MEVAHUFZSA-N 599.669 4.561 0 40 KJAB CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4OC)C3=O)cc2OC)cc1 409273210 JDUGPYWIKQIJSD-QQXSKIMKSA-N 575.643 4.959 0 40 KJAB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(C)c2)C(=O)Nc2ccccc2C(F)(F)F)c1 409383577 XCHJWEQQVRMKMT-VXKWHMMOSA-N 529.467 4.797 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc(Cl)cc1Cl 409410801 QFIJUDWKBGOUBQ-UHFFFAOYSA-N 562.884 4.852 0 40 KJAB CN(CCc1ccccc1)c1ncc(C(=O)NS(=O)(=O)c2ccccc2)c(COc2ccc(Cl)cc2)n1 585265205 BGHBMOQXCAWSNS-UHFFFAOYSA-N 537.041 4.507 0 40 KJAB COc1ccccc1CC(=O)N1CCCC[C@@H]2CN(c3ncc(C(=O)N(CCOc4ccccc4)CC(=O)O)c(CCc4ccccc4)n3)C[C@H]21 585268007 UEJWTQVRTYKFON-CYEXUTLASA-N 691.829 4.936 0 40 KJAB CCc1nccn1CCCOc1ccc(CN2CC[C@H](O)[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OC 585281315 IBCKFVMJACDAGP-FIBWVYCGSA-N 558.119 4.570 0 40 KJAB CC(C)CC(=O)N1CCCN(C)CCN(C(=O)c2ccc(Cl)c(N3CCOCC3)c2)Cc2ccccc21 643554667 NHGNMAZRYIFBFJ-UHFFFAOYSA-N 527.109 4.534 0 40 KJAB Cc1ccc(C(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OC[C@H](Cc3ccccc3)NC(=O)C2)cc1F 643559391 USLWKCCIUVTQMI-DEOSSOPVSA-N 552.046 4.560 0 40 KJAB COc1cccc(CNC(=O)c2ccc3c(c2)CN(C2CCOCC2)CCCCCCCN3C(C)=O)c1 643577132 GTLJQLZOFQEVOJ-UHFFFAOYSA-N 507.675 4.923 0 40 KJAB Cc1nc2ccc(NC(=O)CN3CCC4(CC=CCOc5ccc(Cl)cc5C(=O)N[C@@H](CC(C)C)C(=O)NC4)CC3)cc2[nH]1 2037884959 LVXDDXJVSJCQRN-NDEPHWFRSA-N 621.182 4.845 0 40 KJAB O=C(CN1CCO[C@]2(CC=CCc3ccccc3OCCNC2=O)C1)N1c2ccccc2Sc2ccccc21 2037949754 CJUHIFYTPHKIOG-WJOKGBTCSA-N 541.673 4.585 0 40 KJAB COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(Nc3ncc(Cl)cc3Cl)C2=S)cc1 719208 TZERONMLMXJDIE-LJQANCHMSA-N 516.410 4.755 0 40 KJAB O=C(Nc1ccc2c(c1)OCO2)[C@H](c1ccc(Cl)cc1)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21 1419059 VVYVMIWPYTXILM-NDEPHWFRSA-N 554.994 4.617 0 40 KJAB COc1ccc([C@@H](C(=O)Nc2ccc3c(c2)OCO3)N(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)cc1 1419165 ADUINEGXCJCLMA-PMERELPUSA-N 567.577 4.717 0 40 KJAB O=S(=O)(c1ccccc1)N(CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1 1795179 TYCFPXOEYVZEIZ-UHFFFAOYSA-N 520.676 4.769 0 40 KJAB Cc1c(CCC(=O)N[C@@H](Cc2c[nH]c3ccc(O)cc23)C(=O)O)c(=O)oc2cc3oc4c(c3cc12)CCCC4 2128642 GLMPJQOQSDJBLO-DEOSSOPVSA-N 528.561 4.658 0 40 KJAB biogenic CCOC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1sc2c(c1C(=O)OC)CCCC2)C(F)(F)F 2277286 JRIWVHXDYWPAIV-NRFANRHFSA-N 518.941 4.731 0 40 KJAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)Nc1ccc(SC(F)F)cc1 3289042 SFBGSLVFFGIUNW-UHFFFAOYSA-N 510.518 4.636 0 40 KJAB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc(Br)cc1 4109763 KRLQKAKKPUSZMD-UHFFFAOYSA-N 529.485 4.600 0 40 KJAB Cc1nc(-c2ccccc2Br)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNS(=O)(=O)Cc2ccccc2)n1 8623346 BYWPHRBVLKZFDH-XJUOHMSHSA-N 541.515 4.512 0 40 KJAB biogenic,in-vitro COc1ccc(NC(=O)[C@H](c2ccccc2)N(Cc2ccccc2C)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 8713342 OAIGEYOZPADYLP-PMERELPUSA-N 547.611 4.942 0 40 KJAB COC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc(C(=O)Nc2ccc(C)cc2C)c1C 8926540 BSTIKVODSGUDJA-UHFFFAOYSA-N 512.584 4.990 0 40 KJAB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(OC(C)C)cc2)c1 9907974 OQZIYFDRWFLABJ-UHFFFAOYSA-N 515.610 4.865 0 40 KJAB O=C(O)[C@H]1CCCC[C@H]1C(=O)N(CCN(C(=O)[C@@H]1CCCC[C@H]1C(=O)O)c1ccccc1)c1ccccc1 10272116 KDCQIZLSYMBHQG-POTDNYQPSA-N 520.626 4.835 0 40 KJAB CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2-c2ccc(Cl)c(Cl)c2)s1 11026225 AWAZKPUXGVSCHR-UHFFFAOYSA-N 570.509 4.791 0 40 KJAB COc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC(C)(C)C)c2ccc(C(C)C)cc2)cc1 12488279 UCHRFVAWIDAFAE-AREMUKBSSA-N 505.615 4.831 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1 13024533 MPJAJLWMMOGBQZ-HHHXNRCGSA-N 515.614 4.528 0 40 KJAB COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccccc2F)cc1 13028726 BTMRVRUVKKDXPC-MUUNZHRXSA-N 515.589 4.802 0 40 KJAB COc1ccc(Cl)cc1N1C(=O)/C(=C\c2sccc2C)N=C1SCC(=O)N1C[C@H](C)O[C@H](C)C1 13128369 CPNMCTBMOIBWRK-DYLQZCCESA-N 520.076 4.831 0 40 KJAB CC(C)(C)c1ccc(C(=O)NCCCN2CCN(CCCNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 19850946 WTTJSZMHLRCCHR-UHFFFAOYSA-N 520.762 4.839 0 40 KJAB C[C@@H](NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(Br)cc1 19937874 YKJOUKUFRNSHQW-QGZVFWFLSA-N 503.418 4.530 0 40 KJAB 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556.662 4.560 0 40 KJAB CCOc1cc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc(OCC)c1OCC 105023494 COOQHTUOIIIREB-UHFFFAOYSA-N 533.606 4.810 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(c2cc(Cl)ccc2C)CC1)Cc1ccccc1 108057594 OERHCWRSNITLPL-UHFFFAOYSA-N 542.101 4.505 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 108448584 BIWSMJPDNWRACZ-DEOSSOPVSA-N 553.700 4.608 0 40 KJAB biogenic CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(Cl)cc1Br 222668993 CEZJHJRPZBVLQG-LLVKDONJSA-N 508.627 4.951 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 222717996 ZMLZPMJUONNBGL-QHCPKHFHSA-N 581.735 4.540 0 40 KJAB CCOC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 222740207 GEOMZMHUYXMRLC-UHFFFAOYSA-N 517.003 4.572 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 222768130 ILQDYXZMMIFVTG-QFIPXVFZSA-N 542.529 4.708 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 222866628 RZSQFMNMDIXSGR-PMERELPUSA-N 666.196 4.947 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 222978157 USRHOPZGYDXLPN-OAHLLOKOSA-N 548.920 4.599 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 223355350 KCJDFNZZXPJMTR-NDEPHWFRSA-N 570.155 4.971 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 223441690 UXYFNURHISWHDM-QHCPKHFHSA-N 540.101 4.747 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 223516130 CMKKNAUXJFAMOA-QFIPXVFZSA-N 542.101 4.706 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 223600409 JGAUDIRSHNSILX-DEOSSOPVSA-N 522.111 4.610 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 223600701 FQXSRNGLZPYHFD-QFIPXVFZSA-N 542.101 4.706 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223653940 ZDPYUQFVIKYQPW-MHZLTWQESA-N 627.735 4.523 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 223916258 UKCRFDOGDCCSMX-IBGZPJMESA-N 586.980 4.901 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 223938531 KZDNLVJDOJPSHG-JOCHJYFZSA-N 616.578 4.987 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 224093738 WVQVIKWWAIBWRQ-INIZCTEOSA-N 548.920 4.602 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)c2ccc(F)cc2)cc1OC 224190983 BJARNKUAVMVLRE-UHFFFAOYSA-N 542.614 4.504 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 224372815 CLLPXLDTLWTKFZ-AREMUKBSSA-N 574.118 4.800 0 40 KJAB COc1cccc(CN(C(=O)CSCc2ccc(Br)cc2)[C@H](C)C(=O)NCC(C)C)c1 224425501 STNGUYJELFIRFY-GOSISDBHSA-N 507.494 4.880 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(Cl)cc3)Oc3ccc(C(C)(C)C)cc32)cc1 224521148 FEFYXCSTYFNSNM-SANMLTNESA-N 559.084 4.798 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 224680992 ILFWEZXMGKUNGL-JOCHJYFZSA-N 542.529 4.647 0 40 KJAB Cc1cc(C)cc(N(CCCC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 224701590 JJVQMXPADNWFNS-NRFANRHFSA-N 566.562 4.554 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 224824803 YKLZQINMJUQRGI-PMERELPUSA-N 561.748 4.768 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 224834539 FUEPNIGEYZDNLD-QHCPKHFHSA-N 600.565 4.500 0 40 KJAB CC[C@@H](C(=O)NCc1ccccc1CN1CCCCC1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 224845562 QDQCQLZVYUDVOZ-QHCPKHFHSA-N 512.503 4.840 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 225028496 CYEKPFWBHOOHOV-SANMLTNESA-N 527.731 4.832 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2cccc(OC)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 225134299 VUNRZOSWCPLGGT-HKBQPEDESA-N 593.790 4.969 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 225198551 OHBJRFPWJDYLPM-HHHXNRCGSA-N 545.721 4.971 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 225263258 QHCJMUCRAZRHIE-JKSUJKDBSA-N 640.371 4.696 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 225348163 KLCHFZVPVVRJBT-GDLZYMKVSA-N 565.736 4.725 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1OC 225399504 SZRHIBBPGQJXPN-LJAQVGFWSA-N 625.763 4.698 0 40 KJAB CC(C)Sc1nnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)s1 225453728 KLXGDVDDVLXRCW-GFCCVEGCSA-N 509.506 4.526 0 40 KJAB CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 225545489 LKRFZMJSLAPSJY-IZLXSDGUSA-N 510.667 4.890 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 225623809 SIQZWXIVOISSCG-PGRDOPGGSA-N 542.529 4.790 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 225742454 BXHBLQJSEVPXLY-SSEXGKCCSA-N 563.764 4.988 0 40 KJAB CCOC(=O)Cc1ccc(NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 226033930 PDQOLBIZYIBAMR-UHFFFAOYSA-N 559.482 4.693 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C)cc(Br)cc3C)C2)cc1C 226049781 VCYWBYBFBHUIJJ-GOSISDBHSA-N 509.466 4.812 0 40 KJAB CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(O)c4nnn(Cc5ccccc5Cl)c4n3)C2)cc1 227148125 ATRSQMHWQLJTNE-JOCHJYFZSA-N 674.249 4.540 0 40 KJAB C[C@@H]1C[C@H](C(=O)Oc2ccc([C@@H]3[C@@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C(=O)[C@@H]4ON3c3ccccc3)cc2)N(C)N1 247743947 PJAHPKZIAHIBAP-DKVZCVDGSA-N 581.456 4.547 0 40 KJAB O=C(C[C@@]1(COc2ccc(Cl)cc2)CCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1)N1CCOCC1 257225405 FGBHTNKVMUEIER-DEOSSOPVSA-N 561.915 4.746 0 40 KJAB O=C(C[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)COc2ccc(Cl)cc2)C1)N1CCCCC1 257233767 GQQHSWQLSOONIF-MHZLTWQESA-N 503.014 4.948 0 40 KJAB O=C(C[C@]1(COc2ccccc2)CCCN(C(=O)C2(c3ccccc3F)CCCC2)C1)N1CCOCC1 257236065 HAQMEYPIVAMCNG-GDLZYMKVSA-N 508.634 4.574 0 40 KJAB O=C(CC1(COc2ccc(F)cc2)CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1)N1CCOCC1 257330778 XPYMZYGVJXJTCV-UHFFFAOYSA-N 526.624 4.713 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1 260822062 XDGRCAVAMRDSRC-XMMPIXPASA-N 593.746 4.516 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 260827977 ZKXKOCJHYNOOKD-XMMPIXPASA-N 623.772 4.774 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](CC)C(=O)NC)S(=O)(=O)c2ccc(SC)cc2)cc1 260860678 QHLHWLUWJNMHGQ-MUUNZHRXSA-N 599.775 4.565 0 40 KJAB Cc1cccc(CN(C(=O)CCCN(c2ccccc2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 260915677 YYOQAYVSFQDNMA-GDLZYMKVSA-N 549.737 4.706 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 260970704 MKGDTZDTJABOBQ-MOPGFXCFSA-N 572.555 4.880 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 260981014 OCQFZWNMCMMYLT-JOCHJYFZSA-N 539.673 4.661 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 261053430 MMHMFMRGQYRBFF-DFHRPNOPSA-N 603.160 4.647 0 40 KJAB CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 408602926 DFFIGSUXZQOBDN-UHFFFAOYSA-N 514.047 4.964 0 40 KJAB COC(=O)c1cc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc(C(=O)OC)c1 408610471 QZPVPHBHOKCMEM-UHFFFAOYSA-N 584.956 4.766 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c2ccc(C)c(Cl)c2)cc1 408617865 DSOFMZZQEDNJCS-JOCHJYFZSA-N 556.084 4.700 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)cc1 408629958 LFQDUPCAKWBSSY-UHFFFAOYSA-N 521.639 4.545 0 40 KJAB COc1ccc(Cc2nnc(SCC(=O)Nc3cc(Br)ccc3Br)o2)cc1OC 408637221 HSJZIBLQIHSIIV-UHFFFAOYSA-N 543.237 4.933 0 40 KJAB O=C(CCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccc(F)cc1 408662454 ROJTUIFZMBJTPH-DDBVPJQNSA-N 509.364 4.748 0 40 KJAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccc(Br)cc4Cl)cc3)C(=O)[C@H]12 408688102 PXYCMROKRWVYEM-PNEUHGTJSA-N 543.801 4.600 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C(=O)OCC)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408817736 WEVCEBLWIKPJJA-JLKMOJGBSA-N 630.694 4.702 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(I)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408912989 MKLKGXLSGUJAAB-OLIAQGHGSA-N 636.511 4.939 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 408985435 KPZWWUFBNPFUIC-LMTOTAIGSA-N 561.059 4.606 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 408994523 GLJOGVDVOJMAMV-PDRCNJOPSA-N 569.683 4.528 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4ccccc4C)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 409006035 HCZDSUNPYSVOMP-SVXDAGRPSA-N 611.720 4.523 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3ccc(OCC(=O)O)c(Br)c3)c2=O)=N1 409023334 KHJYOYVAWJVDMZ-LWRBDHNKSA-N 694.398 4.576 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cn(C)c4ccccc34)c2=O)=N1 409035096 PCPUQTHQBFUCPM-KEQCBNTKSA-N 550.080 4.732 0 40 KJAB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)NCc1ccccc1 409078228 ICNKDWDJTWWNGO-UHFFFAOYSA-N 507.837 4.610 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(Cc4ccccc4)c4ccc(Br)cc43)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 409118266 ORWDHDQRBPSGQI-FFVRTPRESA-N 704.599 4.504 0 40 KJAB O=C(O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)C1=O 409136155 TUCXYIFNBNJOKJ-VIZOYTHASA-N 500.729 4.942 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OC(F)F)c(=O)n2[C@@H]1c1cccc(OC)c1 409163512 SOOQGNJZLUPVJM-CVMWMZFYSA-N 562.594 4.546 0 40 KJAB O=C(COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1Br)Nc1ccc(F)cc1 409236243 FMJKCEXVVZNEDN-FYJGNVAPSA-N 524.346 4.699 0 40 KJAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCC(=O)Nc4ccccc4)c(Br)c3)C2=O)c1 409237557 XKSAVGKFHPTNRA-HYARGMPZSA-N 520.383 4.868 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 409238585 AYJQUPGOZFRXPZ-LPYMAVHISA-N 641.450 4.544 0 40 KJAB CCOc1ccc(NC(=O)COc2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)cc2OC)cc1 409255382 JXLOINYEODCDMW-UHFFFAOYSA-N 519.667 4.605 0 40 KJAB CCOc1ccc(NC(=O)COc2c(Br)cc(C(=S)N3C[C@@H](C)O[C@H](C)C3)cc2OC)cc1 409268164 QVDSVFMXWPYNCR-HZPDHXFCSA-N 537.476 4.659 0 40 KJAB CCCOc1c(I)cc(C(=O)Nc2ccccc2I)cc1OC 409361228 BEAZIWTXMSALHR-UHFFFAOYSA-N 537.135 4.946 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)C1=O)N1CCc2ccccc2C1 409378144 MMYMCHDRVWESGK-GXHLCREISA-N 515.374 4.721 0 40 KJAB O=C1CN(C(=O)CCCc2ccncc2)CCOCCOc2ccccc2Oc2ccc(Cl)cc2N1 643565835 OZXBSFWKGOOJPJ-UHFFFAOYSA-N 509.990 4.726 0 40 KJAB CC(C)CC(=O)N1CCCN(CC(C)C)CCN(C(=O)Cn2ccc(C(F)(F)F)n2)Cc2ccccc21 2037912825 OIWCNBQZGKQWTH-UHFFFAOYSA-N 521.628 4.672 0 40 KJAB O=C(COc1ccc(N2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1)Nc1cc(C(F)(F)F)ccc1Cl 638988 MKYWOWUEXOHHNH-KRWDZBQOSA-N 589.954 4.774 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nnc(SCC(=O)N(c2ccccc2)C(C)C)n1-c1ccccc1 3249339 ZQQBKPDLWGTOIS-UHFFFAOYSA-N 591.759 4.797 0 40 KJAB CC[C@H](C)NS(=O)(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 6821331 PYNXRHWWDOEBTE-GTYOFVGBSA-N 602.761 4.732 0 40 KJAB COc1cc(NC(=O)OC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccccc3OC)nn2C)cc(OC)c1 8623252 YGGWLGCOYUZQOI-NRYAXDJKSA-N 506.603 4.539 0 40 KJAB biogenic,in-vitro O=C(N[C@@H](Cc1ccccc1)C(=O)O)/C(=C\C=C\c1ccccc1)NC(=O)c1cccc(Br)c1 8720982 GOMWXMHYXCEXEE-PNRNSSKJSA-N 519.395 4.588 0 40 KJAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c(C(=O)O)cnc4c(C(F)(F)F)cccc34)cc2)n1 9006231 GEHAUPWKEJUHOA-UHFFFAOYSA-N 517.489 4.903 0 40 KJAB CN(C)S(=O)(=O)N(Cc1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1)c1ccccc1F 9694828 KWNXEDJYCJYSIW-UHFFFAOYSA-N 522.067 4.814 0 40 KJAB Cc1c(CCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)c(=O)oc2cc3oc4c(c3cc12)CCCC4 11865670 LKXPEEWATMCNST-XMMPIXPASA-N 512.562 4.952 0 40 KJAB biogenic COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccc(Cl)cc2)c2ccc(C)cc2)cc1 12285478 ABFUSSUDILJPAK-UHFFFAOYSA-N 519.088 4.902 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2ccc(NC(=O)/C=C(\C)C(=O)O)cc2)sc2c1CCCC2 13579151 SDLGIYHUWISEAO-WYMLVPIESA-N 502.614 4.504 0 40 KJAB CCCCNC(=O)CC[C@@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3cccc(C)c3)N2C1=O 20642785 TYYDHBVQHASPBS-XZOQPEGZSA-N 519.671 4.801 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cccc(C(F)(F)F)c1 59884665 JENUYQWJLGDROI-UHFFFAOYSA-N 595.543 4.930 0 40 KJAB CCCCN(CCCC)CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(C(=O)OC)cc2)C1=O 70699850 SUQHXKMDSNDPML-IZEXYCQBSA-N 558.723 4.932 0 40 KJAB biogenic Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1C 97949063 DMBNLZNJUQVIFV-LGAXSRDJSA-N 637.324 4.935 0 40 KJAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N(CCN3C(=O)c4cccc5cccc(c45)C3=O)c3ccc(OC)cc3)CC2)cc1 97983817 QNAULTHFGHTZIL-UHFFFAOYSA-N 670.744 4.757 0 40 KJAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2Cc2ccc(OC)c(OC)c2)cc1 97996925 APZFRXBHSVABPX-JOCHJYFZSA-N 540.041 4.897 0 40 KJAB COc1ccc(N(C(=O)[C@@H]2COc3ccccc3O2)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1OC 100322449 GRTKGGFPIAYBJO-VMPREFPWSA-N 546.620 4.773 0 40 KJAB CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)cc3Br)[nH]c2=O)cc1 102606483 PJCOFDYOOMIFJV-UHFFFAOYSA-N 550.500 4.747 0 40 KJAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 105302872 NRBINAXLFFCHIZ-UHFFFAOYSA-N 547.464 4.919 0 40 KJAB O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 216224388 RGYNXJGEMIIBNF-UHFFFAOYSA-N 626.038 4.784 0 40 KJAB O=C(NCCc1ccccc1)[C@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)c2ccccc2O1 222544329 IIXOKMRYFHVVHJ-QFQXNSOFSA-N 602.540 4.547 0 40 KJAB COC(=O)c1cn(C(=O)[C@H](C)N(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c2ccccc12 222632645 UABBTJQXCKPJMW-LBPRGKRZSA-N 502.898 4.595 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3c4ccc(Br)cc4C[C@H]3C)cc2)cc1 222672866 RHAUKASRSZKHEG-QGZVFWFLSA-N 515.429 4.915 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 222969513 NQTKGPZWRCSJJQ-XMMPIXPASA-N 551.709 4.533 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 223021414 RBSBQYUAMLQXSV-RUZDIDTESA-N 542.101 4.706 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223028359 WTNWCBLEWWQVMR-KRWDZBQOSA-N 592.478 4.568 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 223055958 CIJHVWXXYVCNJT-QFIPXVFZSA-N 616.578 4.905 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 223164951 KLNZQEFYZIAAGY-MRXNPFEDSA-N 548.920 4.746 0 40 KJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cc2Cl)N1CCCN1CCOCC1 223175650 ALDIJGCZZLVBEA-DNQXCXABSA-N 516.498 4.874 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 223290015 OTAXKZRXIGZPMQ-DEOSSOPVSA-N 608.544 4.759 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223493315 YOFGVFBWHOYVON-LJAQVGFWSA-N 567.727 4.765 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223624096 AICMUQMPUXAIJW-AREMUKBSSA-N 545.746 4.580 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223670749 YHQJTHMXCOKHKX-AREMUKBSSA-N 634.582 4.697 0 40 KJAB CCOc1ccc(N(CC(=O)NCCOc2ccc(CC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 223736543 LLURHNYVSXECTH-UHFFFAOYSA-N 517.047 4.692 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 223759274 KCMGBQYHYRONNX-YTTGMZPUSA-N 633.742 4.814 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223838367 ASKSJPTWTDITPJ-IBGZPJMESA-N 542.529 4.792 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 223871884 PTEFIRNSOTXHMC-JOCHJYFZSA-N 588.554 4.500 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 223888424 UYJHWZOTKCLFPC-HXUWFJFHSA-N 537.657 4.744 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(Br)c(C)c1 223908209 AREWOADDIKWQQP-AWEZNQCLSA-N 502.236 4.997 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(I)cc1 223914872 ORCPHGBWKHKFGE-ZDUSSCGKSA-N 535.209 4.530 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 224237285 INOXHOQHBKCHGF-SANMLTNESA-N 576.546 4.780 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 224273882 KRERGPNPTHLTSQ-GDLZYMKVSA-N 599.197 4.736 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 224383362 XDAMZKBGBGFLOM-HHHXNRCGSA-N 600.579 4.690 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl 224437132 PKDXDBSRXJULTM-SANMLTNESA-N 604.144 4.809 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 224786519 NTBGSZYLKXOPES-JOCHJYFZSA-N 602.153 4.804 0 40 KJAB COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(NC(=O)COc2ccccc2)cc1 225068772 FPICYJBXZIPTRF-WUFINQPMSA-N 527.650 4.724 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 225286404 ZKXSRXIVSORONY-SSEXGKCCSA-N 579.763 4.798 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 225308686 NSNSIQNJZBKBDU-NDEPHWFRSA-N 557.757 4.841 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 225325499 SKTZPYBNBQGMDJ-IEBWSBKVSA-N 542.529 4.708 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 225461870 ZUVJTSBXQBVVAS-UFHPHHKVSA-N 535.710 4.912 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225485029 LMMQOMGVCCLXTA-HHHXNRCGSA-N 574.118 4.656 0 40 KJAB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C(=O)O)cc1)Nc1ccccc1 225534563 KOLMWLGVKNYNNC-UIOOFZCWSA-N 511.607 4.572 0 40 KJAB Cc1ccc2c(c1)O[C@@H](C(=O)Nc1nnc(-c3ccc(Cl)cc3)s1)CN2S(=O)(=O)c1ccccc1 225601080 CPKMDGLRSXRQGW-OAQYLSRUSA-N 527.027 4.762 0 40 KJAB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2cccnc2)c1 225626866 CEWGCWPHLFHDJW-WUFINQPMSA-N 510.667 4.945 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 225642797 BAOWDUTZNRWMCL-PMERELPUSA-N 579.763 4.634 0 40 KJAB C[C@H]1CCCN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCc3ccccc3)n2)C1 225928037 MRRHEEUWKDTRFC-QFIPXVFZSA-N 501.704 4.526 0 40 KJAB Cc1ccc(CN(CC(=O)NCc2cccc(C)c2)S(=O)(=O)c2ccc(Br)cc2)cc1 226033751 OHGKUHDBDHXNQV-UHFFFAOYSA-N 501.446 4.573 0 40 KJAB CC(C)c1nc(Cc2ccc(NC(=O)COc3ccc(S(=O)(=O)N4CCCCC4)cc3Cl)cc2)no1 226082703 UDAVENLRCOQKAR-UHFFFAOYSA-N 533.050 4.629 0 40 KJAB O=C(NC1CCC(CC2CCC(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)CC2)CC1)[C@H]1CCCC[C@H]1C(=O)O 247349766 CBLZIJWPVLXHDA-OBTSTFSQSA-N 518.695 4.509 0 40 KJAB COc1ccc(CNC(=S)Nc2nc(N3CCN(c4ccccc4)CC3)cc(N3CCCC[C@H]3C)n2)cc1 260717601 OLKGKGMTTNYUOE-JOCHJYFZSA-N 531.730 4.677 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](CC)C(=O)NC)S(=O)(=O)c1ccc(C)cc1 260853943 CIKHBRKJXQLHJJ-AREMUKBSSA-N 556.128 4.960 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccccc3C(C)C)Oc3ccc(Cl)cc32)cc1 260930935 LIHYCJVMWVPSMW-AREMUKBSSA-N 545.057 4.624 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c(OC)c1 260939505 OCNSJPNSZRWZOR-MUUNZHRXSA-N 616.180 4.536 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 261000454 FDRCQPYWCOSMNI-LXFBAYGMSA-N 611.736 4.655 0 40 KJAB COC(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 408547736 MCTQXLZAWXFBGT-UHFFFAOYSA-N 507.395 4.922 0 40 KJAB COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)sc2c1CCC2 408613174 VSTCRWLEFMWYRI-UHFFFAOYSA-N 519.044 4.819 0 40 KJAB CCOc1ccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 408613849 WLQOBGNAYPBKCE-QFIPXVFZSA-N 510.656 4.735 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2cc(Cl)ccc2OC)cc1OC 408613994 ZMOKJGBGGYAPSQ-IBGZPJMESA-N 547.073 4.699 0 40 KJAB Cc1c(Br)ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1C 408672318 VQRMJNOTRLRMOD-CYBMUJFWSA-N 514.203 4.908 0 40 KJAB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](c5ccccc5)C[C@H]4C3=O)cc2)cc1 408685256 LCCOBUPTVRWFFJ-XSBVVTFOSA-N 524.573 4.758 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(CC)c4ccccc34)c(=O)n2[C@H]1c1ccccc1Cl 408824367 GWVITJRRINTLLM-GJFKPFFXSA-N 520.054 4.735 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408835627 OPYDCYYHZXAVAK-FCKOQQNDSA-N 632.520 4.509 0 40 KJAB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2Cl)OCO3)C1=O 408864974 AJDYOWPYQUYZJX-ZWSORDCHSA-N 514.865 4.771 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@@H]1c1cccc2ccccc12 408918775 OZPWARUJYLPYOV-LAUBZIAYSA-N 578.646 4.998 0 40 KJAB O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 409054658 AXNRPIZXUOPVHH-UHFFFAOYSA-N 507.395 4.594 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC 409093090 XHKHKTOQUJHIDJ-UHFFFAOYSA-N 522.545 4.595 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c2=O)=N1 409114024 PINNYEVYXMRGCT-JRURIKFDSA-N 550.080 4.678 0 40 KJAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C4\C(=O)N(Cc5ccccc5)c5ccccc54)c(=O)n32)c1 409119234 RYSROIBOSRRHCS-XBVONDGYSA-N 612.711 4.800 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)S(=O)(=O)c1ccc(Cl)cc1 409173456 NNCGORSZOMRZKQ-UHFFFAOYSA-N 607.135 4.830 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409194633 PZESLESVFSHFIJ-OCEWKHMESA-N 574.680 4.567 0 40 KJAB COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)cc1OC 409207626 YZORQJKWGRZONH-UHFFFAOYSA-N 576.671 4.821 0 40 KJAB O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 409314225 QPANJJLIPKFJAX-UHFFFAOYSA-N 606.564 4.848 0 40 KJAB CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 409350273 RMLZESPYXPZYBO-ZDUSSCGKSA-N 501.037 4.783 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc(I)cc2)C1=O)N1CCCCC1 409379553 XRINRMNCVAHWSG-STZFKDTASA-N 562.429 4.919 0 40 KJAB Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)S(C)(=O)=O)c1 409412586 YCDVVRNGUPPTGZ-NRFANRHFSA-N 529.684 4.514 0 40 KJAB COc1ccc([C@H](CC(=O)Nc2cccc3c(O)cccc23)c2c(O)cc(C)oc2=O)c(OC)c1OC 524731477 ZLZWZCOENKPKKS-IBGZPJMESA-N 505.523 4.699 0 40 KJAB biogenic CCc1nccn1CCOc1cc(CN2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)ccc1OC 585272235 RIOYXBLHPJSKNX-MUUNZHRXSA-N 514.066 4.901 0 40 KJAB CC(C)c1ncc(C(=O)N2CCOc3ccc(-c4cccnc4)cc3Cc3cccc(c3)C(=O)N(C)CC2)cn1 643567399 FTGFUVPCHYXJSS-UHFFFAOYSA-N 535.648 4.860 0 40 KJAB CC(=O)N1CCCCCCCN(Cc2cccnc2)Cc2cc(C(=O)NCCc3ccc(S(=O)(=O)N(C)C)cc3)ccc21 643570841 MUUOJLYRNPHHQZ-UHFFFAOYSA-N 605.805 4.624 0 40 KJAB O=C(CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)NC12CC3CC(CC(C3)C1)C2 644163837 GOKNAFJRMIESED-FKDBDESZSA-N 502.611 4.844 0 40 KJAB Cc1ccc(N(C(=O)Cn2nnc(-c3ccccc3)n2)[C@H](C(=O)NC2CCCCC2)c2ccccn2)cc1C 905797 YKHVYZVSYQWPLJ-NDEPHWFRSA-N 523.641 4.575 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O 1374514 HHVZGVUSUGGAAA-NDEPHWFRSA-N 542.615 4.873 0 40 KJAB COc1ccc(CCNS(=O)(=O)c2ccc(F)c(C(=O)Nc3ccccc3C(F)(F)F)c2)cc1OC 3023995 XXRHIPQFVQIFAZ-UHFFFAOYSA-N 526.508 4.635 0 40 KJAB Cc1cc(C)c(-c2cc(NC(=O)COC(=O)[C@H](C)NC(=O)c3ccccc3)n(-c3ccccc3)n2)cc1C 3412698 JDKPZFVDRYMHSQ-QFIPXVFZSA-N 510.594 4.765 0 40 KJAB CC(C)(C)C(=O)Nc1ccc2c(c1)OCCOCCOc1cc(NC(=O)C(C)(C)C)ccc1OCCOCCO2 6074265 RFYKZGXMSLPLGA-UHFFFAOYSA-N 558.672 4.918 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 6146980 ZMKAXTOTDXRXOT-UHFFFAOYSA-N 590.477 4.574 0 40 KJAB CCOc1ccc(CN(Cc2ccccc2)[C@H](c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2CCOC)cc1 6196281 WAAASWOSPYCPJJ-GDLZYMKVSA-N 538.652 4.660 0 40 KJAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N(CCc3ccccc3)Cc3cccs3)cc2c1 6409183 ZQGUXUJMXRFJBL-RBJSKKJNSA-N 540.693 4.898 0 40 KJAB COc1ccc(CNC(=O)c2c(N)n(-c3ccc(Br)cc3)c3nc4ccccc4nc23)cc1 9339689 VHPLWDLPYZRLKP-UHFFFAOYSA-N 502.372 4.857 0 40 KJAB CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3ccccc3C)C2)cc1 9380856 CWOFVGVVJOZESM-XMMPIXPASA-N 518.060 4.950 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1OC)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 13024041 ZPYOELBMHHTKLV-MHZLTWQESA-N 529.641 4.523 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(OC)c1 13024741 OVVVOBZSOGUVGE-SANMLTNESA-N 503.578 4.658 0 40 KJAB O=C(OCC(=O)N(Cc1ccccc1)Cc1ccccc1)c1nn(-c2ccccc2C(F)(F)F)cc1O 13146076 VCHJXJOTJMAPTM-UHFFFAOYSA-N 509.484 4.983 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 13585217 LROUOFIDIUYBCY-UHFFFAOYSA-N 510.612 4.795 0 40 KJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 13679634 GWIGGBJQTYRUSF-UHFFFAOYSA-N 526.486 4.702 0 40 KJAB Cc1ccc(C)c(N(CCCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)c1 14397832 JHNSXHTXLUUIOS-QFIPXVFZSA-N 507.656 4.979 0 40 KJAB CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC 17155017 YHTDWHRTWSPILW-WQRHYEAKSA-N 505.390 4.840 0 40 KJAB CCCNC(=S)N1C[C@@]2(C)CN(P(=O)(Oc3ccccc3)Oc3ccccc3)C[C@@](C)(C1)C2=O 18067374 HSSLGWNMJNIHHA-PLQXJYEYSA-N 501.589 4.750 0 40 KJAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1Cl 57316338 BIVKFMPVEMPXDZ-UHFFFAOYSA-N 503.068 4.560 0 40 KJAB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(I)cc1 59952834 JNROVNHWSIIBOW-UHFFFAOYSA-N 526.783 4.779 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2)c2cc(Cl)ccc2OC)cc1OC 59953458 LFCUQDFCUMATRH-UHFFFAOYSA-N 616.861 4.804 0 40 KJAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(NS(=O)(=O)c4ccccc4)ccc3Cl)cc2)n1 60018534 SWOKNZKMDLCQRZ-UHFFFAOYSA-N 572.068 4.601 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)sc(C(C)=O)c1C 97981560 IAPKSDOMYFFLNE-UHFFFAOYSA-N 533.956 4.617 0 40 KJAB C[C@H](c1nc(N2CCCCC2)c2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 100036371 NRPXGKHWBNZBEO-LJQANCHMSA-N 533.620 4.706 0 40 KJAB Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(Cl)cc2)c1C 100290188 GIHGPSGDZWDONL-XMMPIXPASA-N 548.068 4.799 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3F)[C@H](C(=O)NCc3ccccc3)c3ccc(C)o3)n2)cc1 100290270 YNXYUIJSNBCFPB-LJAQVGFWSA-N 552.610 4.776 0 40 KJAB Cc1ccc(NC(=O)C[S@](=O)CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)[C@H](C)C(=O)NC2CCCC2)cc1 100330915 ZXUKJYMBDDLGJO-OUVNIVLFSA-N 572.049 4.835 0 40 KJAB CC(=O)c1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NCc2ccco2)c2ccc(C)cc2)cc1 100413543 VGWZXIZPOLIMSD-HHHXNRCGSA-N 529.618 4.673 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccc(C)cc2)c2cc(Cl)ccc2OC)cc1OC 106378823 LJDLIACCXVODEW-UHFFFAOYSA-N 579.140 4.919 0 40 KJAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 109151563 BXTXTPRXDJJSPK-OAHLLOKOSA-N 542.466 4.587 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1cccc(OC)c1 150394600 MQORDLTUXPICPG-NKYAOSOXSA-N 635.536 4.724 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 222489786 WBCGNDWFYMURTB-NBGIEHNGSA-N 566.164 4.925 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 222570822 RCSFXJOBKJXYBL-LJAQVGFWSA-N 577.653 4.546 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 222645602 OVJFYEUKFWWERM-HHHXNRCGSA-N 574.118 4.657 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 222687974 RURVPOLQBOBWIL-IBGZPJMESA-N 548.492 4.660 0 40 KJAB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 222754958 DTHBITDDNOCGQU-FQEVSTJZSA-N 562.519 4.969 0 40 KJAB COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)cc(OC)c1OC 222837310 SRUGJKUPFQZYRK-UHFFFAOYSA-N 569.463 4.857 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 223262386 KMHLHFKQUBQZQR-XMMPIXPASA-N 608.544 4.759 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1CC)S(C)(=O)=O 223299673 OJBJOHYNTGXOPT-SFHVURJKSA-N 542.529 4.655 0 40 KJAB O=C(NCCOc1cccc2ccccc12)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 223541315 QDPZVOLQXKJNDF-UHFFFAOYSA-N 521.466 4.884 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 223669604 KYYAIHPKPNCICL-RUZDIDTESA-N 545.746 4.580 0 40 KJAB COc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 223799984 XVGTXDQRGRNLNW-SFHVURJKSA-N 503.020 4.738 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 223852676 MPDTWGRQYBFNFY-QHCPKHFHSA-N 539.673 4.581 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 223971093 NFBDKVSEOSYCEM-MUUNZHRXSA-N 569.699 4.753 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 224055986 PKCGTMHMJFXOFQ-QFIPXVFZSA-N 539.673 4.661 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 224236718 TYBPGLNXBPUJHH-HHHXNRCGSA-N 539.673 4.581 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccc(F)cc2)[C@@H](CC)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 224403086 KKNQYAAOQRDCIF-MHZLTWQESA-N 561.720 4.637 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224463558 XDFHALGLOSSSJK-QHCPKHFHSA-N 540.513 4.626 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccccc1OCC)S(C)(=O)=O 224472592 XHQDFHSFRWCASF-JOCHJYFZSA-N 572.555 4.882 0 40 KJAB COc1ccc(CN(C(=O)COc2ccc(Br)cc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1 224474781 WDQUACGBLXZIBO-INIZCTEOSA-N 511.844 4.679 0 40 KJAB CCOc1ccc(N(CC(=O)NCc2cccc(CN3CCCC3)c2)S(=O)(=O)c2ccc(SC)cc2)cc1 224601686 CXXGKPVGUFINPS-UHFFFAOYSA-N 553.750 4.915 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)cc1OC 224650991 CNNOGUMWTBJORA-DEOSSOPVSA-N 593.746 4.765 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1)c1ccc(C(F)(F)F)cc1 224867763 MLDXLNUXHOWWPA-UHFFFAOYSA-N 510.509 4.620 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 224950046 RAZAJCIWLSBZCY-UHFFFAOYSA-N 553.681 4.927 0 40 KJAB O=C(NC[C@H]1COc2ccccc2O1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 225246547 KDCJYIKCBRPGHL-QHCPKHFHSA-N 514.603 4.652 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 225335463 MHAWYRSFLASQCX-RUZDIDTESA-N 564.148 4.679 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225376006 DPYDSAMMHCOUMS-LJAQVGFWSA-N 641.787 4.640 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 225424994 NVUQHOBPMZQFOM-LOSJGSFVSA-N 535.710 4.565 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(Cl)cc1 225466758 UVJMDSCMPWZJNL-QFIPXVFZSA-N 542.101 4.786 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 225509315 GRCFZOPAGAHRTH-LJAQVGFWSA-N 576.118 4.921 0 40 KJAB COc1cccc(Cn2c(SCC(=O)NCc3ccc(F)cc3)nc3c(-c4ccccc4)c[nH]c3c2=O)c1 225540959 IBITUNJIOATEIM-UHFFFAOYSA-N 528.609 4.996 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC)S(=O)(=O)c2ccccc2)cc1 225551128 JPZMDUSCQASRRD-YTTGMZPUSA-N 599.753 4.975 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 225703738 BGQILSYNLQQXDT-MUUNZHRXSA-N 535.710 4.831 0 40 KJAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)c1 225808913 YVFUZABXRXQGGQ-OAHLLOKOSA-N 519.044 4.821 0 40 KJAB C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=C(C[C@H](O)[C@]12C)[C@]1(C)C[C@H](OC(=O)C[C@](C)(O)CC(=O)O)[C@H](O)C(C)(C)[C@H]1CC3 253529982 SWRXIGFQDQTNKP-BKXAZQSRSA-N 636.867 4.753 0 40 KJAB endogenous,in-man COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)Oc3ccc(C)cc32)cc1 260746120 SODQMLHFSVIKKJ-JOCHJYFZSA-N 557.053 4.771 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 260807165 QZYSICXRTUFUPW-JOCHJYFZSA-N 567.683 4.506 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 260935268 ICJDHEBHRJLKLW-RPBOFIJWSA-N 565.736 4.839 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)c1 260941420 OOHLLBMQMFOTCH-JOCHJYFZSA-N 616.578 4.843 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 408562118 XXGHQHYTUXKGIV-UHFFFAOYSA-N 512.075 4.551 0 40 KJAB COc1ccc(Cl)cc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 408636640 SAKSXMLFORBNNP-UHFFFAOYSA-N 503.020 4.538 0 40 KJAB Cc1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408648109 CFCPTECSNYIGRL-SIQOOTDXSA-N 505.401 4.917 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1 408654820 QVLXCBRPVONPGX-BMHXQBNDSA-N 505.785 4.918 0 40 KJAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1 408660794 WWPRVGUHYZLYBK-YXVKNGOVSA-N 557.002 4.830 0 40 KJAB Cc1cc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)cc(C)c1Br 408683427 HYXPWUODZKYCAW-WOJBJXKFSA-N 513.388 4.541 0 40 KJAB CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)C1=O 409192814 BSXMRQSZUKFTNG-OVCLIPMQSA-N 500.574 4.967 0 40 KJAB O=C(COc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O)Nc1ccccc1 409344168 FYPOWVMRWZELGC-WSDLNYQXSA-N 523.517 4.657 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccccc3Cl)C(C)C)n2C)cc1 409348461 PKGRZNNJXMZDJK-OAQYLSRUSA-N 530.050 4.503 0 40 KJAB Cc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccc(Br)cc3F)n2C)C(C)C)cc1 409352943 XQDQPXAVRDPNNU-FQEVSTJZSA-N 534.455 4.883 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl 409353739 QONMMZSRLPGFGA-HXUWFJFHSA-N 530.050 4.898 0 40 KJAB Cc1cc(I)cc(C)c1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccc(Cl)cc2)n1C 409365546 YIPMJCZUXZBIPY-AWEZNQCLSA-N 583.883 4.912 0 40 KJAB O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)c1cccc(C(F)(F)F)c1 409385298 HKUHXGQAHLCPDE-NHCUHLMSSA-N 583.437 4.876 0 40 KJAB CCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2Cl)cc1 504397116 ABNIXBQXMYTWSJ-OFOQQJIRSA-N 551.057 4.885 0 40 KJAB Cc1cccc(NC(=O)CCC(=O)N2CCC3(CCCCc4ccccc4OC[C@@H]4CCCN4C3=O)CC2)n1 643557069 AIEKJNHOOOBFEA-VWLOTQADSA-N 532.685 4.514 0 40 KJAB CN1CCCCCCOc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(F)cc2)CCC(=O)N(C)[C@@H](Cc2ccccc2)C1=O 1615160877 ROYZMAGGPVOQNB-CONSDPRKSA-N 630.761 4.502 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(Cc3ccc(F)cc3)[C@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)cc1 906447 XWOWSFLIJKVVIU-LJAQVGFWSA-N 574.632 4.846 0 40 KJAB CCC[C@H](C(=O)O)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 938103 AOLHDSURMZTIFV-SCSAIBSYSA-N 562.834 4.586 0 40 KJAB COc1ccc(Cn2nnnc2CN(Cc2ccc(C)cc2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 1373367 JPMFBWDLSPAKKA-UHFFFAOYSA-N 508.626 4.699 0 40 KJAB Cc1c(CC(=O)N[C@H](Cc2c[nH]c3ccc(O)cc23)C(=O)O)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 2131227 YGVVVYBQGCZBQE-XMMPIXPASA-N 530.577 4.995 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(Br)cc1 2185158 KZLRKSVNZPYGRB-VZZQTLFRSA-N 568.276 4.573 0 40 KJAB CN(c1ccc(OCC(=O)n2nc3c4c(cccc42)C(=O)c2ccccc2-3)cc1)S(=O)(=O)c1ccccc1 3307012 VONRFWABGWXVMD-UHFFFAOYSA-N 523.570 4.792 0 40 KJAB CCCCNC(=O)c1c(NS(=O)(=O)c2ccccc2)n(Cc2ccco2)c2nc3ccccc3nc12 9308876 QDHPBVZDMIOSDC-UHFFFAOYSA-N 503.584 4.557 0 40 KJAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)C1 12469840 XNNQBEABABSEQB-LJQANCHMSA-N 511.109 4.894 0 40 KJAB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccccc1Cl 14277025 PRLPFTOALDQQAO-UHFFFAOYSA-N 503.411 4.676 0 40 KJAB CCOCCCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C 14414917 MATVZXHFAMLIPW-UHFFFAOYSA-N 501.476 4.652 0 40 KJAB CCCCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)c1 16741722 XDCFTZSGYMRMMM-MHZLTWQESA-N 504.627 4.856 0 40 KJAB COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cc(Cl)ccc4OC)CC3)cc2)c(OC)c1 21579744 XBFZEBVFQXNFLF-UHFFFAOYSA-N 509.990 4.581 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(Cl)cc2)cc1Cl 22269385 KYNUXIDHYWXGRL-JOCHJYFZSA-N 507.439 4.598 0 40 KJAB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(OC(C)C)c3)cc2)CC1 22841518 YHQQMAVLYWXHNV-UHFFFAOYSA-N 516.667 4.871 0 40 KJAB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cc(Br)ccc4OC)cc3)CC2)cc1 40717768 IHPYSNPKYIHSPA-UHFFFAOYSA-N 524.415 4.681 0 40 KJAB CSCC[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccc(C)cc1 70706576 NMKJUIHPJMMBRO-YCVJPRETSA-N 552.700 4.501 0 40 KJAB biogenic CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1 97951088 UZOVRAGKUIDBFP-XHPQRKPJSA-N 547.640 4.758 0 40 KJAB Cc1c(CC(=O)N2CCC(C(=O)NCCCC(=O)O)(c3ccccc3)CC2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 97957040 ZKRJSZADCOERCT-UHFFFAOYSA-N 584.669 4.810 0 40 KJAB COc1cc(OC)cc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)c(F)c2)c1 100364250 CLFOHGAPULOAIK-MHZLTWQESA-N 533.604 4.585 0 40 KJAB COc1ccc(OC)c([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2C)c1 100365289 VKVHIGQJDODWTE-PMERELPUSA-N 541.652 4.899 0 40 KJAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](CC(C)C)N[C@]32c3ccccc3-n3c2nc2ccccc2c3=O)c(Br)c1 101495251 UUJGVDLCRVCTAO-KXLMYSQUSA-N 583.486 4.837 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3nc4ccc(SC(F)F)cc4s3)c2c1 103050227 YYXDIBWSRXTKJR-UHFFFAOYSA-N 538.623 4.735 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3ccc4c(c3)OCO4)n2-c2ccccc2)c1 103124947 WMVGXYSTQIHICO-UHFFFAOYSA-N 550.662 4.669 0 40 KJAB CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 104821954 ODIIDJFISNHRAN-GUSUARRKSA-N 528.008 4.753 0 40 KJAB CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc2ccccc2c1 105538262 MAAZYHCEJQFWDG-GXDHUFHOSA-N 531.638 4.529 0 40 KJAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 109087064 PLIVNLCQNQTGJD-HNNXBMFYSA-N 586.917 4.697 0 40 KJAB O=C(OCC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1)[C@H]1CC(=O)N(CCc2ccccc2)C1 110495345 LWGNPPRVVJLIOB-IUZSTLDHSA-N 541.604 4.630 0 40 KJAB Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N2c3ccc(Br)cc3C[C@@H]2C)cc1 222683091 IVQRCZVQCUGBSV-KRWDZBQOSA-N 515.429 4.915 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCc1ccc2c(c1)OCCO2 222688263 PMWXVYWJUVZDNS-DEOSSOPVSA-N 537.454 4.539 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 223151912 CPQDTSNJSMDLLE-NRFANRHFSA-N 562.054 4.847 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1nnc(SC(C)C)s1)S(=O)(=O)c1ccc(Cl)cc1 223234210 QTINPTZVAIFLKZ-UHFFFAOYSA-N 527.093 4.925 0 40 KJAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 223544699 OSJOGBWSZFIPFS-JOCHJYFZSA-N 521.683 4.505 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 223723547 CHMPLLCFMITIMG-RUZDIDTESA-N 602.540 4.694 0 40 KJAB Cc1cc(Cl)ccc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 223843340 RSWXCDMDUWNCGR-SFHVURJKSA-N 540.513 4.544 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 223980294 XRCILXPLLVQYDY-FYBSXPHGSA-N 579.763 4.633 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 224080844 HXTBKHUFBVBFAC-MHZLTWQESA-N 556.128 4.581 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 224152936 SGUBVSLUGKCDAL-FQEVSTJZSA-N 596.588 4.726 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224486071 BOAYPXCDEYUSMM-GSLIJJQTSA-N 570.517 4.801 0 40 KJAB Cc1cccc(C)c1N(Cc1ccc(C(=O)NCc2cccc(CN3CCCC3)c2)cc1)S(C)(=O)=O 224634124 QOBSLZTYGLYZAB-UHFFFAOYSA-N 505.684 4.795 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 224639765 JUHZNLHXIZHCFH-JOCHJYFZSA-N 542.101 4.787 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 224673640 GAZOHDFOPUIEJY-QHCPKHFHSA-N 527.731 4.661 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 224761543 DQRIEMDTYBLJOC-XMMPIXPASA-N 554.128 4.913 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224815595 SMAPXLGAAHMCAM-OAQYLSRUSA-N 592.158 4.524 0 40 KJAB CCn1c(=O)sc2cc(NC(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)cc4Cl)C3)ccc21 225100139 XQWLXHYUAXSTGN-AWEZNQCLSA-N 528.483 4.570 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)N(C)C)c1 225193247 WYUNZSZARCMBRT-QFIPXVFZSA-N 607.615 4.545 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 225258753 XJYAFOBDLLVWSR-RTBURBONSA-N 542.529 4.708 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 225509516 OBFAWCAEEGQWQV-NDEPHWFRSA-N 543.639 4.758 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 225519133 VEZADYGNSQYONM-DEOSSOPVSA-N 535.710 4.695 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 225732079 ZUDBLXARIMYWNM-GDLZYMKVSA-N 565.736 4.672 0 40 KJAB O=C1[C@H]2[C@@H]3C=C[C@@H](C4=C(c5ccccc5)C[C@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]5[C@H]43)[C@H]2C(=O)N1Cc1ccccc1 229920277 MCHRPHYSAYLRFZ-TVKCEZFLSA-N 554.646 4.879 0 40 KJAB CN(Cc1ccccc1)C(=O)C[C@]1(COc2ccccc2)CCCN(S(=O)(=O)c2ccc(F)cc2)C1 257235015 GWADMVJIGXHFIG-MUUNZHRXSA-N 510.631 4.724 0 40 KJAB O=C(NS(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1ccccc1OCc1ccc(Br)cc1 257319298 VRTYPPKZCSTLDH-UHFFFAOYSA-N 587.492 4.889 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)c2cccc(Cl)c2)cc1 260720455 GVGBLIVTGQYQQG-OAQYLSRUSA-N 560.091 4.925 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 260761009 SJFLZPRPFXDEMR-OAQYLSRUSA-N 648.178 4.512 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](CC)C(=O)NC1CCCCC1)S(C)(=O)=O 260762361 PMZPWKCQSVVWNF-XMMPIXPASA-N 564.148 4.761 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)cc1 260794946 OGOUCFRXUYWBKA-XMMPIXPASA-N 563.720 4.675 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2c3ccc(Br)cc3C[C@H]2C)Cc2ccccc2)cc1 260823023 DVZGFKSBAISFAV-GOSISDBHSA-N 529.456 4.626 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 260844505 BUZKQUSMIDUOPE-MUUNZHRXSA-N 570.155 4.833 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 260926076 HEEZOTPTGOGAAQ-QUCCMNQESA-N 540.101 4.666 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 260988150 PJCBVIADGQYSPB-FTJBHMTQSA-N 579.763 4.882 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)c2ccc(C)cc2)cc1OC 260996169 DMZBYNDXPQIOOU-JOCHJYFZSA-N 599.725 4.679 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)cc1C 261003693 QMEYUACWJBPHSB-SSEXGKCCSA-N 579.738 4.907 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 261014105 UXHJXOQIZSBLQS-NLFFAJNJSA-N 566.164 4.925 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 261090191 SZTHRJMPMJMOQC-LXFBAYGMSA-N 628.191 4.822 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O 261101564 WCJJGRMHMFCTBH-IDISGSTGSA-N 574.118 4.800 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 261102399 WHHMAFAFOQDSII-AREMUKBSSA-N 586.154 4.669 0 40 KJAB CCCNS(O)(O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1 263584674 YWOATUWWNPWUJU-UHFFFAOYSA-N 590.298 4.909 0 40 KJAB COC(=O)c1cc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(C(=O)OC)c1 408565661 LQSNVSBSMQJTFF-UHFFFAOYSA-N 565.431 4.709 0 40 KJAB CCOc1ccccc1NC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1OC 408594282 PNEVSXQKUQSMKO-UHFFFAOYSA-N 519.019 4.898 0 40 KJAB COc1ccc(OCc2nnc(SCC(=O)Nc3cc(Br)ccc3Br)n2C)cc1 408594768 BBNWAAPGRLEMPK-UHFFFAOYSA-N 542.253 4.659 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccc2c(c1)OCO2 408605167 MUBXWTBRJQNPRU-UHFFFAOYSA-N 528.892 4.906 0 40 KJAB Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)cc1 408655869 SACORPQYBSIQHC-GOUQPXDXSA-N 569.013 4.915 0 40 KJAB CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)N4[C@H](C(=O)c5ccccc5)[C@H]4c4ccccc4)cc3C2=O)cc1 408681915 JSPQTAIBGQJZQS-NUDPUSABSA-N 529.552 4.894 0 40 KJAB Cc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)cc1 408686691 NPCHFNYYSDTMFQ-BOLGFTMLSA-N 508.574 4.720 0 40 KJAB CC(C)C[C@H](C(=O)OCC(=O)N[C@@H](C)c1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408686704 NQJXHKZHOVZLMH-JHZIMDKDSA-N 550.655 4.714 0 40 KJAB CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408687434 UVUMBHGRFHCNLY-UPKBKSEFSA-N 594.664 4.652 0 40 KJAB Cc1c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)ccc(Br)c1Cl 408688408 WQRYMLKCAGFGBM-LATRNWQMSA-N 545.817 4.742 0 40 KJAB COc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C(C)C)ccc3OC)C2)c(OC)cc1Cl 408701447 YCXXIFCCSARVBS-QGZVFWFLSA-N 511.040 4.529 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3OC)c(=O)n2[C@H]1c1ccc(C)cc1 408821141 CVZCQXRZOUAJCU-RZXXJPOTSA-N 561.885 4.531 0 40 KJAB CCOC(=O)COc1c(Br)cc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 408828557 MZUFVIMFUOZCTE-AOLPSBPOSA-N 708.425 4.664 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C)cc4)cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 408956217 ZEJUKMQWOFVFRU-UPWSPCOFSA-N 575.086 4.958 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)c2ccc(Cl)cc2)cc1 409024270 IYIZENFKGKCPEZ-UHFFFAOYSA-N 512.031 4.718 0 40 KJAB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=c1/sc2n(c1=O)[C@H](c1ccc(C(C)C)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 409024916 YVRFSQJTDICBRU-SBAFFJACSA-N 589.721 4.988 0 40 KJAB Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c1 409027007 PAOLNTLQESEJJF-UHFFFAOYSA-N 505.640 4.892 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)cc(Cl)c4O)c(=O)n32)cc1 409043056 ZEHWPBUXKBYBEE-JGZDWKDESA-N 591.911 4.707 0 40 KJAB CCOC(=O)COc1c(I)cc(I)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OC(C)C)c(OC)c1)C(C(=O)OCC)=C(C)N=2 409045899 JOFVSDHHNRXMQM-JEYMYLTASA-N 846.478 4.745 0 40 KJAB CCOc1cc(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=S)N2CC(=O)OC)c(Br)cc1OC 409059324 MJUADVVKHIIJDW-ODLFYWEKSA-N 533.444 4.566 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(Cc4ccccc4)c4ccccc43)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409121650 VHJSMXORSFZWJI-LWSPANAXSA-N 615.711 4.877 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(Cc4ccccc4)c4ccccc43)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409121651 VHJSMXORSFZWJI-XBVONDGYSA-N 615.711 4.877 0 40 KJAB O=C(Cn1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c2ccccc21)NC1CC1 409145575 QXIRSBHZPDQTIQ-NHDPSOOVSA-N 510.413 4.919 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)cc1 409148816 SCJWZHRSLWQRSR-UHFFFAOYSA-N 523.655 4.614 0 40 KJAB O=C(COc1ccc(N2C[C@H](C(=O)NCc3ccc(Cl)cc3)CC2=O)cc1)Nc1ccc(F)c(Cl)c1 409154598 BMGOZOBAGWYHDO-QGZVFWFLSA-N 530.383 4.819 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc(I)c1O 409155358 PNZSIUJAHOWSPG-LZYBPNLTSA-N 558.781 4.724 0 40 KJAB COC(=O)[C@@H]1NC(c2cccc(Cl)c2)(c2cccc(Cl)c2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 409191161 UBFPMKHFCARQBG-BHIFYINESA-N 529.807 4.841 0 40 KJAB CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc(Cn2cncn2)cc1 524729950 PDEYAGUWMWWLHD-VGASRGCDSA-N 654.768 4.968 0 40 KJAB biogenic COC(=O)C[C@@H]1[C@@]2(C)C3=C(C)[C@@H](c4ccoc4)C[C@@H]3O[C@H]2[C@H]2OC[C@@]3(C)[C@@H](O)C[C@@H](OC(=O)C=C(C)C)[C@]1(C)[C@H]23 1077996378 BGHFPZJLGAYVQC-KTCORRQESA-N 554.680 4.720 0 40 KJAB biogenic O=C(c1cnc(N2CCC[C@@H]2c2ccc(Br)cc2)nc1CCc1cccc(F)c1)N1CCN(CCN2CCOCC2)CC1 2037879010 BDISTLQRFFWIHN-WJOKGBTCSA-N 651.625 4.595 0 40 KJAB COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)CCC(=O)Nc1cnc2ccccc2c1 881713 IWNZDJIMERFBRG-UHFFFAOYSA-N 504.568 4.923 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 886397 XPTZISASUIPKPW-MUUNZHRXSA-N 560.630 4.608 0 40 KJAB C[C@@H](NC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)c1ccccc1 891411 IQUFIWKCSHFGPM-GOSISDBHSA-N 529.618 4.666 0 40 KJAB C[C@H](OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)NCc1ccc2c(c1)OCO2 3298300 CHTYPTXBIJUGLL-KSEUIEODSA-N 501.564 4.591 0 40 KJAB C[C@@H]1CCc2c(sc3nc(SCC(=O)c4ccc5c(c4)NC(=O)CO5)n(-c4ccccc4)c(=O)c23)C1 3378380 DEXCUBWZXXGUKB-OAHLLOKOSA-N 517.632 4.878 0 40 KJAB CSCCCNC(=O)c1csc(-c2csc(C(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)n2)n1 5839105 MUDZNBUIZOQPIT-UHFFFAOYSA-N 571.791 4.883 0 40 KJAB COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N(Cc1ccc(Cl)cc1)Cc1ccco1 6405642 ZGZHLFRKLCTLPG-AREMUKBSSA-N 533.032 4.816 0 40 KJAB C/C(=C\C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCN(c2ccc(Cl)cc2)CC1 12350127 ZSSIVMHVKQRJNY-SAPNQHFASA-N 528.406 4.782 0 40 KJAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 13098160 VLPJHHODBWPUCZ-NDENLUEZSA-N 508.489 4.638 0 40 KJAB CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2(C(=O)Nc3c2ccc(C)c3C)[C@]12C(=O)Nc1ccccc12 61954442 QEBRGKUXJSEWSI-GYOFENNSSA-N 521.617 4.717 0 40 KJAB O=C(O)c1ccccc1NS(=O)(=O)c1cccc(NS(=O)(=O)c2cc(Br)ccc2Br)c1 64622047 VTRZTJQFXGPULB-UHFFFAOYSA-N 590.271 4.511 0 40 KJAB C[C@]12C(=O)N(c3ccccc3C(=O)NC3CCN(Cc4ccccc4)CC3)C(=O)N1CCc1c2[nH]c2ccccc12 70687908 NPTAJGOLJKDSKV-XIFFEERXSA-N 547.659 4.802 0 40 KJAB biogenic CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(Cc3ccc(OC)cc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 70692157 WUHVFMXNNPAYGP-QNLPTKCRSA-N 539.632 4.816 0 40 KJAB biogenic CCC[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](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC 95612086 RQYGKZGKXDOUEO-LFZNUXCKSA-N 806.047 4.863 0 40 KJAB in-vitro CC1(C)C[C@@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2)C1 97983741 BCMWLZBJAAMAFI-SKCUWOTOSA-N 571.721 4.600 0 40 KJAB COc1cc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)cc(OC)c1OC 100334608 RROSJAQEPFWUNT-HHHXNRCGSA-N 550.608 4.914 0 40 KJAB COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)CNC(=O)c2cccs2)c2ccc(C(C)C)cc2)cc1OC 100414199 JPJUCGNWRXTVBK-PWUYWRBVSA-N 579.719 4.688 0 40 KJAB COc1ccc(OC)c(NC(=O)[C@H]2[C@H](C(=O)O)[C@]3(Cl)C(Cl)=C(Cl)[C@]2(Cl)C3(Cl)Cl)c1 100507876 AOUJGQLGEAZILY-DEQYAXRXSA-N 524.011 4.805 0 40 KJAB CSc1ccc(/C=c2/s/c(=C\C(=O)c3ccc(C(C)(C)C)cc3)n(CC(=O)N3CCC(C)CC3)c2=O)cc1 102902952 NBTOLXMTOHSKGS-IZGNVHGOSA-N 548.774 4.680 0 40 KJAB COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)Nc1cccc(S(N)(=O)=O)c1 103132269 DCPJAODXJAGJDN-UHFFFAOYSA-N 601.710 4.900 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 222975473 WUAZDKBBRWDCAN-QHCPKHFHSA-N 569.699 4.753 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCOc1ccc(OC)cc1 223235407 FNILZIZTNKYLFR-RBUKOAKNSA-N 505.453 4.949 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 223299192 CYFZSLHSJXUMAA-LJQANCHMSA-N 542.529 4.710 0 40 KJAB CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 223449035 IURCVIMPWMRSHI-GDLZYMKVSA-N 553.700 4.743 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223525156 IBRWONMVYKUSQX-FBCJSKMCSA-N 550.099 4.536 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 223566270 BZLHTUFLFLYGRN-MHZLTWQESA-N 600.579 4.608 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223857932 NVKRBXOKIZOYCK-SFHVURJKSA-N 626.534 4.898 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1cc(OC)cc(OC)c1 223998831 OSVKVVXFWBIANC-MNNSJKJDSA-N 534.653 4.646 0 40 KJAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 224054767 DHWIAQFRBFNVSM-NDEPHWFRSA-N 595.762 4.665 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O 224265462 JNBUYYRJSQWTQI-NDEPHWFRSA-N 570.155 4.835 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 224300593 NCGMDBPNDLPSIH-MHZLTWQESA-N 616.180 4.678 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 224534114 IVYMOPJMFSOYHM-NDEPHWFRSA-N 583.776 4.864 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 224540886 YGDGWAPVWBALOS-DEOSSOPVSA-N 536.138 4.774 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1)c1cccc(Br)c1 224676254 PNNXTFFGZCDPCH-UHFFFAOYSA-N 537.863 4.878 0 40 KJAB 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COc1ccc(CCNC(=O)C(=O)Nn2c(C(=O)Nc3cccc(C)c3C)cc3cc(Br)ccc32)cc1OC 408575984 LYRPUSOCOAEJNX-UHFFFAOYSA-N 593.478 4.719 0 40 KJAB CCOc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2ccccc2)cc2cc(Br)ccc21 408578073 SMTJYMQWGFGEAE-UHFFFAOYSA-N 521.371 4.764 0 40 KJAB O=C(NC1CCCCC1)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Br)ccc21 408579456 NPIITNIPYHQSNS-UHFFFAOYSA-N 517.811 4.829 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1 408584991 XLSKSHROZMERBY-FQEVSTJZSA-N 510.612 4.701 0 40 KJAB Cc1ccc(CN(CC(=O)N2CCN(c3cccc(C)c3C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408623270 RYPCIZYCJHXEGW-UHFFFAOYSA-N 526.102 4.805 0 40 KJAB COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)c1 408647744 VMDMDDTYUSNOPG-QMIHWGKISA-N 503.382 4.663 0 40 KJAB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@@H]4C3=O)cc2)c(OC)c1 408686759 SSUKDMAIVONONO-FBVYBBNNSA-N 588.616 4.896 0 40 KJAB CCOc1cc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)N=C3N=CNN32)ccc1OCc1ccccc1 408705220 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COc1cc(OC)cc(-c2noc(CSc3nc4ccccc4c(=O)n3Cc3ccccc3OC)n2)c1 585146589 CLDNHFXUDALKBH-UHFFFAOYSA-N 516.579 4.813 0 40 KJAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N[C@H](C)COc2ccccc2Oc2ccc(Cl)cc2)CC(=O)N[C@H](CC(C)C)C1=O 643550511 AWSPQBXSVZFLQY-OFQAEJFBSA-N 679.214 4.976 0 40 KJAB CCOc1ccc(CC(=O)N2CCCN(Cc3cccnc3)CCCN(C(C)=O)c3ccccc3C2)cc1 643580092 QHILIHNZHMFNRZ-UHFFFAOYSA-N 514.670 4.701 0 40 KJAB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc(C)cc(Nc3ncc(C)s3)n2)CC1 2037834976 NUECVTMFZRHODK-FOIQADDNSA-N 502.685 4.939 0 40 KJAB O=C(NC1CCCC1)[C@H](c1ccco1)N(C(=O)Cn1nnc(-c2cccs2)n1)c1ccccc1C(F)(F)F 887243 FECWMFBXYCNUEK-QFIPXVFZSA-N 544.559 4.847 0 40 KJAB COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(C)o2)cc1 901274 RLSLTWGUELJIOH-MHZLTWQESA-N 501.587 4.565 0 40 KJAB COC(=O)c1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2cnc3ccccc3c2)cc1 906079 UOAOFNKHKIDVTN-HKBQPEDESA-N 576.657 4.990 0 40 KJAB Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1CCNC(=O)c1ccc(Cl)cc1Cl 2248218 AEJDJGAAUHPDBH-UHFFFAOYSA-N 540.432 4.736 0 40 KJAB COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c2nc(CCc3c(C)n[nH]c3C)nn12 2969665 NMZYGAIFEHMZEP-UHFFFAOYSA-N 522.034 4.795 0 40 KJAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Cl 3297312 GLCODSWYDYXGNW-UHFFFAOYSA-N 527.348 4.838 0 40 KJAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)c1C 3365591 ZNCYNWCPLNUJBO-ACCUITESSA-N 555.587 4.871 0 40 KJAB CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)C(c3ccccc3)c3ccccc3)c2)CC1 12998538 MSUOVUHPKPAKSX-UHFFFAOYSA-N 512.075 4.528 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4OCC)CC3)ccc2C)cc1 13148325 WWSFSRNYZGLLAE-UHFFFAOYSA-N 523.655 4.556 0 40 KJAB COc1c(C)cc(Br)cc1C(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)C(C)C)CC1 14291132 UEFHNGROXAQVBY-UHFFFAOYSA-N 508.844 4.976 0 40 KJAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)C1 14360834 AJOJCCAVVXMFFI-OKILXGFUSA-N 510.987 4.826 0 40 KJAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 16476940 KFWVOWHWBSECFY-UHFFFAOYSA-N 513.015 4.763 0 40 KJAB C[C@@H](NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1cccc(Br)c1 19937882 NIKUBEMLSWWLRD-QGZVFWFLSA-N 503.418 4.530 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2Cl)c2ccccc2)cc1 20060744 BVMNOJHLKJNXAI-UHFFFAOYSA-N 519.088 4.984 0 40 KJAB COc1ccc(NC(=O)C[C@@H]2SC(N3N=C(c4ccccc4)C[C@H]3c3ccc(OC)cc3)=NC2=O)cc1 28066393 ZPYSEVNGMSQNMO-DQEYMECFSA-N 514.607 4.882 0 40 KJAB O=S(=O)(NCc1ccccc1)c1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccco2)cc1 33355670 KRAIUPRXDBGXEG-UHFFFAOYSA-N 531.055 4.803 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 59884418 ZBBBOMGDNNGNIU-UHFFFAOYSA-N 565.673 4.638 0 40 KJAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)NCCCCCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 70687541 AFULRSYXYZZCLS-JKFCTSDTSA-N 574.718 4.901 0 40 KJAB biogenic O=C(Nc1ccc(Br)c(Cl)c1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 102088252 UJIDMSFYPCYVDM-XHXJHSHESA-N 501.808 4.683 0 40 KJAB CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC 102764880 MFMQLAJBLUGMMX-TWJOJJKGSA-N 516.550 4.623 0 40 KJAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 103054672 DNLPPTMKZXETSS-PKOBYXMFSA-N 536.606 4.524 0 40 KJAB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2Cl)=N[C@H]1c1cc(OC)c(OC)c(OC)c1 103828972 HZULZAIZHSITSX-QFIPXVFZSA-N 534.034 4.575 0 40 KJAB COc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)/C=C/c4ccc(Cl)cc4)cc3)CC2)cc1 105352170 QQQSLCIDWWDISM-SYZQJQIISA-N 535.069 4.837 0 40 KJAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)O 106688401 PEMOXAJKEWQSQZ-PXNMLYILSA-N 559.765 4.653 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC)c2ccccc2)cc1 222565424 HDKATPVFNOULBT-HKBQPEDESA-N 603.716 4.806 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222757830 MRNBWUHYFNVTLB-QHCPKHFHSA-N 553.700 4.970 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 223035629 IVRRDMPMBHXRCY-MHZLTWQESA-N 535.710 4.669 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 223044875 WTCCOLOIYGAIDD-WOJBJXKFSA-N 522.111 4.561 0 40 KJAB COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 223246144 UPSIFSGKZWQYGI-HHHXNRCGSA-N 518.654 4.667 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C(=O)NCCCOCC)c2ccccc2)cc1 223383677 FBELCTYYPXRJMD-PMERELPUSA-N 600.181 4.884 0 40 KJAB COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](C(=O)NCc2ccccn2)c2ccccc2)cc1 223535367 LEQAMOUGILOZCZ-XIFFEERXSA-N 612.752 4.550 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 223721530 WWLYIHRPTFGROU-NRFANRHFSA-N 542.529 4.792 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 223790155 GYFVBEHSSMTCBO-WXVAWEFUSA-N 630.605 4.779 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 223808730 QUYPNISDOJIMMX-VWLOTQADSA-N 577.747 4.983 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Br)cc1 224027979 CZTZOLAFKQMLEB-NRFANRHFSA-N 632.577 4.605 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 224151199 CVGYOCMITFRGNQ-FQEVSTJZSA-N 566.562 4.636 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 224340858 LPAJTRZWJGLSNV-QFIPXVFZSA-N 570.539 4.634 0 40 KJAB CCc1ccc(OCCNC(=O)C2=C(C)c3cc(OC)c(OC)cc3N(Cc3ccccc3F)S2(=O)=O)cc1 224594428 RGSISOKFGVXDTO-UHFFFAOYSA-N 554.640 4.682 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 224619689 SFMIHWPVLZLVFY-SSEXGKCCSA-N 577.747 4.799 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)c2ccc(Cl)cc2)cc1 224657360 JCBBPLMRSGQHSC-FQEVSTJZSA-N 576.090 4.625 0 40 KJAB 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615.546 4.755 0 40 KJAB CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)c2ccccc12 409094146 CYVOAIIHSLPWLQ-JLHDDXNDSA-N 585.726 4.673 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2)C1=O)Nc1ccc(N2CCOCC2)cc1 409140651 LCJAXDHCRZSCJR-NLRVBDNBSA-N 529.618 4.777 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OC 409164820 OGTCJKGDYWHHGF-WOJGMQOQSA-N 552.390 4.682 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)ccc1OCc1cccc(C)c1 409246651 KFGIUVIEBHTSMN-HZHRSRAPSA-N 515.566 4.513 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCC(C)CC4)o3)c(=O)n2[C@@H]1c1ccccc1 409271705 LHDMZRPPBOJMTM-RKVROBFMSA-N 553.684 4.765 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C/c3ccc(Sc4nccc(C)n4)o3)c2=O)=N1 409272338 GFIBHULNNVWPMO-INJUALFYSA-N 571.709 4.778 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3cc(Br)c(Sc4nccc(C)n4)o3)c2=O)=N1 409272770 HBWWVMSJDPSLGJ-JGTYQCAFSA-N 669.579 4.912 0 40 KJAB 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CC(C)NC(=O)c1ccc(Cn2c(SCC(=O)NCc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 101916160 IGONEJRGRJNATN-UHFFFAOYSA-N 535.069 4.645 0 40 KJAB COc1ccc(Br)cc1CN(C)C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C 102269992 ALYKSQGEFGRXCS-UHFFFAOYSA-N 547.471 4.872 0 40 KJAB O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 103510749 JKBZMRPCRFBGNU-MYDTUXCISA-N 534.797 4.864 0 40 KJAB O=C(NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)c1cc(Br)ccc1Cl 105303738 LIHSNQULHQUFCX-UHFFFAOYSA-N 528.728 4.635 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)c(=O)cc1[C@@H](NC(C)=O)CC2 108448146 JXUCBKUMVAOMPL-QUZXVZDRSA-N 621.800 4.725 0 40 KJAB Cc1cc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)ccc1Br 140079415 RJRGDIBZXOFQAP-UHFFFAOYSA-N 530.282 4.701 0 40 KJAB CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)O)c1 150341763 MZHAFPWGEJLAIW-JTQLQIEISA-N 624.238 4.898 0 40 KJAB COc1ccc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2Cc2ccc(C(=O)N3CCN(c5ccccc5)CC3)cc2)OCO4)cc1 150445535 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0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 223233431 MASFAPNREBWAIA-WJOKGBTCSA-N 599.753 4.975 0 40 KJAB COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1I 223305696 ONIKTPMRPIEMPK-AWEZNQCLSA-N 503.402 4.780 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223372183 MYTSBVVOMHKDEE-IBGZPJMESA-N 600.565 4.644 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223429353 YMVRZXGVHZOAGT-SANMLTNESA-N 615.699 4.653 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223591652 WYEJDIQWYGWUDJ-XMMPIXPASA-N 552.137 4.619 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 223746820 NEWOCEBSOJNNGF-IBGZPJMESA-N 578.518 4.751 0 40 KJAB Cc1ccc(C)c(N(CCCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 223779263 XXVVVXJTNHMCPR-DEOSSOPVSA-N 527.731 4.634 0 40 KJAB 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260774582 XTMZKXMLZSHDMV-JOCHJYFZSA-N 542.101 4.786 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 260865650 AGLZYZILKRRFHO-HOFKKMOUSA-N 581.735 4.621 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)c2ccc(C)cc2)cc1OC 260899314 NXIAQNUFUKRZGC-RUZDIDTESA-N 595.762 4.705 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 260899719 UBXLEMNNABSOTM-SSEXGKCCSA-N 579.763 4.749 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 260987240 PGKNHQPWRCLGLY-VGSWGCGISA-N 562.054 4.847 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 261015163 VDMBIDJHMUIKEK-YADHBBJMSA-N 602.153 4.885 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 261022550 WDVXDASKXKRMPI-AVRDEDQJSA-N 542.529 4.790 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 261055803 MUAQALHFDJKGBH-GIGWZHCTSA-N 549.737 4.624 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 261107064 XFGDPYFAUXYCNK-YADHBBJMSA-N 580.589 4.944 0 40 KJAB COc1ccc(CCNC(=O)C(=O)Nn2c(C(=O)Nc3ccc(C)cc3C)cc3cc(Br)ccc32)cc1OC 408577715 QXMVESXFGAGADL-UHFFFAOYSA-N 593.478 4.719 0 40 KJAB COC(=O)c1c(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)sc2c1CCC2 408613236 VYDDBUWSQSZUOK-UHFFFAOYSA-N 512.653 4.859 0 40 KJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)ccc2C)cc1C 408616668 ZTPSFGRCGFOWGA-HSZRJFAPSA-N 521.639 4.574 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408669241 XCIZSNLYAYYIJQ-OJKWPBSESA-N 521.400 4.617 0 40 KJAB CC(C)OC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408670923 YNJNMRNPOHFSGH-HTYBUKABSA-N 563.437 4.784 0 40 KJAB Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)S(C)(=O)=O)cc1 408677318 CLJSVPRBDXUGQY-UHFFFAOYSA-N 550.102 4.943 0 40 KJAB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](c5ccccc5)CC[C@H]4C3=O)c2)cc1 408682067 FYPNHFTXMHDVMP-VANUSSGQSA-N 512.562 4.564 0 40 KJAB CCOc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](c5ccccc5)C[C@H]4C3=O)c2)cc1 408691438 ZWJODEZMJFQLKL-GCCWUPBUSA-N 526.589 4.954 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408751746 BBCCOMQYRIDUOA-BIWBSIMWSA-N 561.059 4.649 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C(=O)OCC)cc4)c(OC)c3)c(=O)n2[C@H]1c1cccs1 408765889 BRCBDOCAXWTNEP-ASZNLBCTSA-N 618.733 4.624 0 40 KJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)c(OCC(=O)O)c(Br)c3)S2)cc1 408791261 VHSXDSPIHIRIGB-SIBGDRKGSA-N 542.249 4.837 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408823936 FXRPMOWTORATJJ-IMEWXKHHSA-N 575.912 4.921 0 40 KJAB CCOC(=O)COc1c(Br)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 408836515 SBKWMCDVYNHINS-QDNAUZDWSA-N 663.974 4.555 0 40 KJAB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(I)cc(I)c4O)c(=O)n32)cc1 408919531 AQKUZIZSRGZYNR-LYFUXTGPSA-N 732.403 4.824 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408999862 XVTAXCLMYJONDO-OKGYKCPCSA-N 541.673 4.718 0 40 KJAB CS(=O)(=O)N(CC(=O)NCCSCc1c(Cl)cccc1Cl)c1cccc(C(F)(F)F)c1 409028545 ONLSPTLWNYLOHB-UHFFFAOYSA-N 515.406 4.828 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1OCC 409233350 VDGVKSJLSHYZQW-YBFXNURJSA-N 644.871 4.960 0 40 KJAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)C2=O)cc1 409236247 FOEWYSWDNPURTM-XDHOZWIPSA-N 506.565 4.991 0 40 KJAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3-c3ccc(I)cc3)C2=O)cc1 409242145 MTRNUAIFWLFBAD-DEDYPNTBSA-N 559.385 4.766 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)c(Br)cc1O 409344729 IDPVMVQCAIHORO-OCKHKDLRSA-N 505.390 4.962 0 40 KJAB O=C(COc1cccc(F)c1)N1CCO[C@@]2(CCCCc3ccccc3OCCN(Cc3ccccc3)C2=O)C1 643557839 XSMZPVKBVQAOEK-YTTGMZPUSA-N 546.639 4.636 0 40 KJAB O=C(NC1CCCCC1)[C@@H](c1ccco1)N(Cc1ccccc1Cl)C(=O)Cn1nnc2ccccc21 905965 XCMKSPRUBZNKMM-AREMUKBSSA-N 506.006 4.897 0 40 KJAB O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1)OCO3 919084 TYSMHVODRCNIDW-UHFFFAOYSA-N 516.497 4.667 0 40 KJAB CC(C)[C@H]1Cc2c(sc3nc(SCC(=O)NCc4ccco4)n(CCc4ccccc4)c(=O)c23)CO1 1296884 GDHBJOWLFAEIQR-OAQYLSRUSA-N 523.680 4.800 0 40 KJAB CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)c(Cl)c2)n2c1CS(=O)(=O)C2 1589099 ZJZCNAUBHSASRJ-UHFFFAOYSA-N 532.446 4.617 0 40 KJAB CCc1cc(=O)oc2c(C)c(OC(=O)[C@H](Cc3c[nH]c4ccccc34)NS(=O)(=O)c3ccc(C)cc3)ccc12 2148069 QETHGVXTRYZVFG-SANMLTNESA-N 544.629 4.949 0 40 KJAB biogenic Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2-[n+]2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 2364814 GVKQZSIBQYIFQJ-UHFFFAOYSA-O 531.017 4.921 0 40 KJAB COc1cc(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc(NC(=O)c2cccs2)c1OC 2653319 UBFBIBQAJMWVIN-OXJNMPFZSA-N 508.596 4.757 0 40 KJAB Cc1cccc(C)c1-n1c(SCC(=O)c2ccccc2F)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 3253833 RDGVIDPTHZOYCF-UHFFFAOYSA-N 524.643 4.916 0 40 KJAB O=C1C(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccc(F)cc2)c2ccccc21 8712912 FSGIJVQWZXMCLD-GDLZYMKVSA-N 583.547 4.632 0 40 KJAB O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCN(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)C2)CC1 8766619 AYFPMKUBNYOZDJ-NRFANRHFSA-N 545.039 4.643 0 40 KJAB CCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccco4)N4C=Cc5ccccc5[C@H]4[C@@H]3C2=O)cc1 9360971 HUFNATHZLQQDAQ-XPGKHFPBSA-N 510.546 4.635 0 40 KJAB CC(=O)Nc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(C(C)C)cc4)nnn3c3ccccc23)cc1 9969966 UZXXYWMTEDPXQI-UHFFFAOYSA-N 500.584 4.936 0 40 KJAB CCCCc1ccc(NC(=O)COC(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1 12623503 ZOFSTNWXDRZCKY-UHFFFAOYSA-N 508.546 4.990 0 40 KJAB O=C(Nc1ccccc1Br)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 13680749 YFKIENVIGLOBJK-UHFFFAOYSA-N 506.249 4.936 0 40 KJAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)cc1 14401676 OJTDBIREKUNRDV-UHFFFAOYSA-N 523.636 4.679 0 40 KJAB C/C=C(/C)C(=O)Oc1c(OC)c(OC)cc2c1-c1c(cc(OC)c(OC)c1OC)C[C@@](C)(O)[C@@H](C)C2 14692418 ZSAUXCVJDYCLRS-CTGKKMONSA-N 500.588 4.754 0 40 KJAB biogenic,in-vitro CCN(CC)CCCNc1nc(SC)nc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 20393739 KIDUMXRBMMBOSO-UHFFFAOYSA-N 530.764 4.793 0 40 KJAB Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2=O)cc1 49421558 KQIHMZKKTBVQHY-UHFFFAOYSA-N 512.937 4.917 0 40 KJAB Cc1ccc(OS(=O)(=O)c2cccc(S(=O)(=O)c3cccc(S(=O)(=O)Oc4ccc(C)cc4)c3)c2)cc1 59101050 ILIJGGUZOVTBKJ-UHFFFAOYSA-N 558.655 4.672 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2cccc(Br)c2)Cc2ccccc2)cc1C 59836315 ODDMTSOVZYKBBY-IBGZPJMESA-N 531.472 4.834 0 40 KJAB COc1ccccc1CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12 70704453 UKVKBVLIILAWNZ-NGCAANIMSA-N 584.676 4.690 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 97947496 WOTHAYKLHDWWBL-TVRVIFGSSA-N 694.766 4.602 0 40 KJAB C[C@@]1(C(=O)NCc2ccc(CNC(=O)[C@]3(C)CC3(Br)Br)cc2)CC1(Br)Br 98050479 WLXFCRMXFBWFGC-HOTGVXAUSA-N 615.986 4.711 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)O)o3)c(=O)n2[C@H]1c1ccc(Br)cc1 100306918 ZICKEIARFQYEAF-XPCGLTFESA-N 593.455 4.519 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)[C@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 100375506 ZYUKVATVZHGBCY-MUUNZHRXSA-N 539.640 4.519 0 40 KJAB O=C(c1cccs1)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1N(Cc1ccccc1)C(=O)c1cccs1 102908577 SMDGFZULGLDLJJ-ZEQRLZLVSA-N 550.727 4.960 0 40 KJAB C[C@H](C(=O)OCC(=O)c1ccc(OC(=O)c2ccco2)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 103930599 LRTMRFFXUURDFX-PDWSDUJXSA-N 575.573 4.505 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 104945150 QJUCYPNHHJEGMK-YOWYGEOISA-N 620.683 4.991 0 40 KJAB COc1ccc(CCNC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1OC 109302262 ZQRWDCLGUBXOQK-UHFFFAOYSA-N 545.101 4.832 0 40 KJAB Cn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 110509923 ZUEIIKCYTTWHOS-UHFFFAOYSA-N 529.247 4.545 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3O)c(=O)n2[C@@H]1c1ccc(SC)cc1 163701391 NTXIQLRAPRVCQT-JZVSFUAJSA-N 671.376 4.593 0 40 KJAB C[C@H](OC(=O)c1cccnc1S[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 195530226 VYFYCASABKWRPC-GUIPVNPYSA-N 517.736 4.989 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 222582607 RBDHESAWDZDIIY-FQEVSTJZSA-N 548.920 4.745 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 222917146 AAUZUDNHZMIQRC-HNNXBMFYSA-N 593.371 4.854 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 223071387 QRLMHEHORXFNAT-SANMLTNESA-N 542.101 4.706 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 223190277 VJROYSTXDXVHDV-LEWJYISDSA-N 566.562 4.636 0 40 KJAB 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CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 225384813 DNMXWLKNRVLEJK-JWQCQUIFSA-N 565.736 4.839 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 225392397 FKRZSMKLJSNBFO-LJAQVGFWSA-N 565.736 4.841 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 225551777 SZLOFGXHYQYZTN-HOFKKMOUSA-N 545.746 4.662 0 40 KJAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)nc1 225585726 XEYUZNKEAIDQHT-IZZNHLLZSA-N 500.603 4.716 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2nccs2)c1C 225661454 ZCNWWMJLBAZLFP-DQEYMECFSA-N 532.695 4.956 0 40 KJAB Cc1ccc(CN(CC(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)S(=O)(=O)c2ccccc2)cc1 226061118 UCDFYOAMGPEJFG-UHFFFAOYSA-N 518.639 4.922 0 40 KJAB CN(C)c1ccc([C@H]2c3sc(O)nc3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc1 250359105 RGZQBXLWGJSYLU-MVSFUWRLSA-N 503.649 4.593 0 40 KJAB 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CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 261038804 YJFATZNDGJXIBO-DQEYMECFSA-N 535.710 4.565 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 261107059 XFFTXNCDCOORCG-DFHRPNOPSA-N 616.180 4.678 0 40 KJAB COc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2Cl)c1 408589953 IJNPCOGPWAJSAN-UHFFFAOYSA-N 517.003 4.516 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)cc4F)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408603035 PTUWPSZJCAYKER-LMSRTUJASA-N 550.583 4.735 0 40 KJAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccccc1C(=O)N1CCCCCC1 408629585 DVVWJLJYKWYNSI-UHFFFAOYSA-N 509.603 4.676 0 40 KJAB CCCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1 408668702 VHXFNWFFAQHUQS-QGZVFWFLSA-N 521.397 4.875 0 40 KJAB Cc1c(Br)ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c1C 408675729 BYKHBTJTXWAFSZ-UHFFFAOYSA-N 521.367 4.658 0 40 KJAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](c5ccccc5)C[C@H]4C3=O)c2)cc1 408690609 WBJHACNMZVQFNF-GCCWUPBUSA-N 539.588 4.514 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 408703245 QDJFEEKYRWSYBN-UHFFFAOYSA-N 534.059 4.568 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c(I)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408836380 QRZWLAJWQOGANE-XXMKCSCWSA-N 632.520 4.589 0 40 KJAB CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OC 408941725 QICORLJOCLYBHU-IAOUMNOZSA-N 564.704 4.773 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C(=O)OC)ccc4C)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408944933 WBBHJAFLIHXYNN-NULZLWRNSA-N 600.693 4.941 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc5c(c4)OCO5)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408977332 WWBOYOYFHUMGFP-SJXDCSIJSA-N 598.677 4.505 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)cc1 409029022 XJQUTJBWHXIMPT-UHFFFAOYSA-N 521.639 4.592 0 40 KJAB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Br)cc3)C2=O)ccc1Cl 409161857 ZQJNIBGFTONPDU-LZYBPNLTSA-N 509.765 4.564 0 40 KJAB C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(Cl)c1)c1ccccc1 409389196 MXIRDCWBZMKXHK-LJQANCHMSA-N 548.492 4.761 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c2ccc(F)cc2)cc1 409408950 FHYSNGSRXLPOIS-UHFFFAOYSA-N 583.663 4.778 0 40 KJAB CC(=O)NC1CCN(C(=O)C[C@]2(COc3cc(C)c(Cl)c(C)c3)CN(Cc3ccc(C)c(C)c3)CCO2)CC1 585284421 FNCILLIZJQEVGZ-WJOKGBTCSA-N 556.147 4.741 0 40 KJAB COc1ccc([C@H](CC(=O)NC[C@@H](C)O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 1547212405 KFRMPUBDZGQYSF-RNHFSVANSA-N 553.652 4.607 0 40 KJAB biogenic CN1CCCCCCOc2ccccc2C(=O)N[C@H](C(=O)NCc2ccccc2Cl)CCC(=O)N[C@@H](Cc2ccccc2)C1=O 1615161388 VJLXYEJFPCUHDN-KYJUHHDHSA-N 633.189 4.674 0 40 KJAB O=C(Nc1ccccc1N1CCCC1)[C@H]1[C@@H](O)[C@H](c2cccc(F)c2)CN1C(=O)OCc1ccccc1 1848357633 BIBPSZUSZKQKTJ-RNJDCESWSA-N 503.574 4.530 0 40 KJAB COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c1 901448 VBBGQEKXRLLDAF-AREMUKBSSA-N 503.628 4.725 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1OC 906142 AUAMVAVVYKHYAI-PMERELPUSA-N 541.652 4.668 0 40 KJAB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1c(F)cc(F)cc1Br 2373403 AVAVFYWCURSHIR-UHFFFAOYSA-N 506.332 4.753 0 40 KJAB COc1ccc(CCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC 3146011 XJUBFNFOYSSTMX-UHFFFAOYSA-N 523.438 4.565 0 40 KJAB O=C(COc1ccccc1)NCc1nnc(SCC(=O)c2ccccc2)n1-c1cccc(C(F)(F)F)c1 11026220 CAAFRPNNBKGVQB-UHFFFAOYSA-N 526.540 4.956 0 40 KJAB Cc1c(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 11865585 HJFXGFFHWITKOZ-XMMPIXPASA-N 512.562 4.871 0 40 KJAB biogenic COc1cc(C(=O)C[C@]2(O)C(=O)N(Cc3cccc(C(F)(F)F)c3)c3ccccc32)cc(OC)c1OC 12418487 OGLZJNPPAOJMSN-AREMUKBSSA-N 515.484 4.739 0 40 KJAB CCCCCCn1nc(C(=O)OCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)c2ccccc2c1=O 12654506 GYVRYTHQAWPOOR-UHFFFAOYSA-N 513.616 4.627 0 40 KJAB COc1cccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2c(C)cccc2C)c1OC 13029346 VRCIMIVSMJBART-MHZLTWQESA-N 529.641 4.755 0 40 KJAB CC[C@@H](c1nnnn1C(C)(C)C)N(CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O 13494574 WGINAKFSBWCABO-DEOSSOPVSA-N 518.662 4.791 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 13495182 AQHFERYIAFMFMT-SANMLTNESA-N 512.614 4.935 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)c2ccc(Br)cc2)cc1 19930832 FKKRBOMHLRDGLZ-JPYJTQIMSA-N 501.446 4.525 0 40 KJAB COc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(SC)cc3)cc2)cc1OC 22523773 IFNOSFZCOTXKNX-QGZVFWFLSA-N 500.642 4.742 0 40 KJAB O=C(COc1ccc2ccccc2c1Br)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 30754632 ZSQVZRLNALCSEF-UHFFFAOYSA-N 512.385 4.816 0 40 KJAB O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)NCc1ccc(F)cc1 59836177 JPIUBFUVNGEYHM-UHFFFAOYSA-N 525.827 4.749 0 40 KJAB CC(C)Oc1ccc(C(=O)N[C@H](CN)Cc2ccc(-c3cn4cccc([C@H](C)O)c4n3)cc2)cc1Cl 85221415 PCYDNGGBZWDDLU-AVRDEDQJSA-N 507.034 4.795 0 40 KJAB COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2cc(Br)cc(C)c2OC)c1 97948374 VLUZFDSXVQULCC-UHFFFAOYSA-N 566.452 4.767 0 40 KJAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 97963926 GLUBDTZLVXASPG-UZUQRXQVSA-N 538.508 4.880 0 40 KJAB COC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccccc2F)c1 100363601 USPVBMZCWKIESO-MUUNZHRXSA-N 543.599 4.580 0 40 KJAB CC(C)C[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 101495869 GCSFJKUUFZLWCQ-MTBINSJKSA-N 569.459 4.529 0 40 KJAB COc1ccc(CNC(=O)CCCCCn2c(SCC(=O)Nc3ccc(OC)cc3)nc3cc4c(cc3c2=O)OCO4)cc1 102755770 CHZWLYAGYLNGNT-UHFFFAOYSA-N 618.712 4.750 0 40 KJAB CCOC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 102919243 VIIGEUFVJLBCHJ-UHFFFAOYSA-N 613.696 4.640 0 40 KJAB C[C@]12CC[C@H](NC(=O)[C@H](N)Cc3ccc(O)cc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NC(=O)[C@H](N)Cc3ccc(O)cc3)CC[C@@H]12 118922998 IYGSZRSGAFWJPO-BRGZKEDASA-N 616.847 4.550 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 222533060 WRCDMPYULUPGLX-WNCULLNHSA-N 545.746 4.580 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 222842243 WLDUMXLMRIYCIM-JGCGQSQUSA-N 599.753 4.893 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 222975791 IDKDZYYLVVACNA-QFIPXVFZSA-N 602.153 4.886 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223162342 XGTGSHYTFPDFBV-MRXNPFEDSA-N 548.920 4.746 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223289722 VLSMSBXXHWDAOC-RUZDIDTESA-N 592.545 4.544 0 40 KJAB CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 223384377 NRDFATMSOBNWPI-MUUNZHRXSA-N 554.112 4.573 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 223449977 MSUDENXFPVAONK-XMMPIXPASA-N 578.518 4.751 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 223557846 MUADFWYOZMLVHI-RUZDIDTESA-N 535.710 4.669 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 223627388 YPOMAIREOFFFAU-NFQMXDRXSA-N 592.108 4.939 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 223916422 DCXDARUQFMMTML-JOCHJYFZSA-N 588.554 4.500 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 224466430 DCAZCFFNEIBIBP-QFIPXVFZSA-N 558.503 4.765 0 40 KJAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 224603816 JGJCQQZBGBDLCP-HHHXNRCGSA-N 565.736 4.575 0 40 KJAB Cc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1CN1CCCC1)S(=O)(=O)c1ccccc1 224761174 FAMBJYSXWDFFDX-UHFFFAOYSA-N 512.075 4.756 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224802927 CKPIYOSVAWAQHU-MHZLTWQESA-N 556.128 4.579 0 40 KJAB CCc1ccc(OCCNC(=O)c2ccc(CN(c3cc(OC)c(Cl)cc3OC)S(C)(=O)=O)cc2)cc1 224919044 PEHXBPGQBQAWND-UHFFFAOYSA-N 547.073 4.695 0 40 KJAB 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Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cn2)ccc1NS(C)(=O)=O 225462912 UDMCDFBTHQAOLR-ZEQRLZLVSA-N 539.086 4.778 0 40 KJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3cccnc3)c2C)cc1NS(C)(=O)=O 225473400 JCQLZGCHPNJTJV-SXOMAYOGSA-N 562.721 4.500 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 225605931 GMYROGAPJRZRBC-NDEPHWFRSA-N 564.107 4.645 0 40 KJAB CCc1cc(Br)cc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 226049988 UYTBIBMFKDPBTO-MRXNPFEDSA-N 513.429 4.507 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCc3ccc(Cl)cc3)Oc3ccc(C(C)(C)C)cc32)cc1 260841594 AUBHNDGPMRKDLU-AREMUKBSSA-N 543.085 4.961 0 40 KJAB Cc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O 260865621 CLFZTELWDFGWAD-QGZVFWFLSA-N 562.947 4.911 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 260896280 DIBCEOUUFJOMSA-CVEARBPZSA-N 640.371 4.696 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 260898561 DLGNYRNPIBZXKT-FIPFOOKPSA-N 671.813 4.647 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 260931758 HVJDPZYIZXVMRV-DQEYMECFSA-N 565.736 4.839 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)N[C@@H](C)CC)c2ccccc2)cc1 260955468 KMUYGRPPQSCBMO-BJKOFHAPSA-N 581.735 4.621 0 40 KJAB CN(C)S(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccc(F)cc1 260958817 XZDOFGZHXYUJQG-SSEXGKCCSA-N 612.743 4.667 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 260989247 PQOBZZYLRNYSMT-SFTDATJTSA-N 522.111 4.527 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 261011307 UKZMRGNNFHACIT-GIGWZHCTSA-N 565.736 4.921 0 40 KJAB Cc1cccc(C)c1N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 261043670 ZQYGENSNLMOCPR-GDLZYMKVSA-N 561.748 4.768 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 261055801 MTWNDBIFIJSDCE-NHCUHLMSSA-N 580.589 4.890 0 40 KJAB Cc1c(Cl)cccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 408583293 GXGOSCGKEZTCNW-NRFANRHFSA-N 507.837 4.939 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C1=O)Nc1ccccc1N1CCOCC1 408601968 MLHMBTUVQKIYCZ-OEAKJJBVSA-N 525.533 4.736 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1 408639263 FKWWVHJPSQOTMP-DSJQIVRYSA-N 581.024 4.852 0 40 KJAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408683087 HISZBBVKQKVXKV-YJTVIJPYSA-N 564.638 4.678 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccccc3F)c(=O)n2[C@H]1c1cccs1 408779959 ORRONCLZDUKZKY-GJFKPFFXSA-N 534.634 4.578 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 408939235 IGCLKLJTSFBRKG-DNQIBQKISA-N 593.086 4.691 0 40 KJAB CCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OCC 408940950 OWAJXPKSHKKMIC-RYOBIWAXSA-N 564.704 4.773 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 409006946 LNCLFSHCJLBRGL-WGJPBTIMSA-N 641.746 4.532 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c2ccccc2)cc1 409029356 ZZZBMYSHARGKKM-UHFFFAOYSA-N 535.666 4.982 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409038547 PEQMBPQCNRUPST-ZSJKCPIUSA-N 601.121 4.655 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cc4c(cc3Br)OCO4)c2=O)=N1 409043269 YPQBFGZUPQWIER-OINADKTASA-N 619.921 4.732 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3Cl)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409079329 FLBRPZPCDJEPEL-DGKKPVBHSA-N 582.303 4.876 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409086917 BTJKURBNVRKWCU-YOKWNPFVSA-N 636.362 4.731 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(Cc4ccccc4)c4ccc(Br)cc43)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409117680 ONABZYWLEYGDFE-QMMFTLRZSA-N 701.643 4.800 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(Br)cc1OCc1cccc(F)c1 409146321 SCLZQKUWIDKHGK-QGMBQPNBSA-N 510.337 4.687 0 40 KJAB CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)C1=O 409190464 OBCNDXLZDSTQDU-OVCLIPMQSA-N 503.123 4.700 0 40 KJAB Cc1cc(I)cc(C)c1NC(=O)CSc1nnc(COc2c(C)cccc2C)n1C 409342926 HRMCRVWREHBLSP-UHFFFAOYSA-N 536.439 4.963 0 40 KJAB COc1cc(CN2CCC3(CC2)C[C@H](N(C)C(=O)OC(C)(C)C)[C@@](C)(O)CO3)ccc1OCCN1CCC(C)CC1 585274758 ZBUAZFIZANLINN-IZEXYCQBSA-N 575.791 4.547 0 40 KJAB CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)/C=C/c2ccc(F)cc2Cl)CCCCOC[C@@H](O)[C@H]1O 643551509 LWMXNLKCMAEYSO-KDTMILHUSA-N 623.137 4.564 0 40 KJAB CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)c2c(-c3ccccc3Cl)noc2C)CCCCOC[C@@H](O)[C@H]1O 643551580 VTPDNOJPCJVEQU-CGAVVAMDSA-N 660.183 4.989 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cc(-c4ccccc4F)[nH]n3)CCO2)C1=O 643556259 IJFKPIAGKMOPOA-HKBQPEDESA-N 548.659 4.861 0 40 KJAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCC4(CCCCCc5ccccc5OCCN(C)C4=O)CC3)ccc21 643562642 LJUPWFRPUXSHAY-UHFFFAOYSA-N 544.696 4.601 0 40 KJAB CC(=O)Nc1ccccc1OS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)Oc3ccccc3NC(C)=O)cc2)cc1 2087189603 CKXKUWLYWQKUKA-UHFFFAOYSA-N 596.639 4.931 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc(OC)cc2)c2ccc3c(c2)OCO3)cc1 1419117 OHCCSMPICGBQFZ-WJOKGBTCSA-N 579.613 4.586 0 40 KJAB C[C@H](OC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2)C(=O)Nc1nc(-c2ccccc2)cs1 2655204 DRCSEYMELGLGCA-INIZCTEOSA-N 562.629 4.849 0 40 KJAB C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 3412641 UOAWQWRVSQZGPW-MRXNPFEDSA-N 507.999 4.624 0 40 KJAB COc1ccccc1N1CCN(c2nc3c(S(=O)(=O)c4ccc(C)c(C)c4)nnn3c3ccc(Cl)cc23)CC1 8604593 CJPVCGKFHLRWHB-UHFFFAOYSA-N 563.083 4.716 0 40 KJAB aggregator Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCN(c4ccccc4F)CC2)c2cc(Cl)ccc23)cc1C 8604602 AGMXVSUUPCBRFP-UHFFFAOYSA-N 551.047 4.846 0 40 KJAB aggregator COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)CN3C[C@H](c4ccccc4)NC3=S)CCSCC2)c(OC)c1 8748426 ZSALFNLVOWIPCZ-HHHXNRCGSA-N 604.798 4.868 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@@H]1c1cccc(Cl)c1 16734547 UJFSXVJKVDPMIT-HZHYMEEXSA-N 515.034 4.897 0 40 KJAB CCOC(=O)[C@@H](Cc1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O 17307774 YHKZOHRPIVLBFT-MDABYVDSSA-N 587.632 4.867 0 40 KJAB aggregator COC(=O)c1cc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)ccc1Cl 19856584 RQYDPCLBZGMIDR-UHFFFAOYSA-N 501.004 4.886 0 40 KJAB O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)N(Cc1ccccc1)Cc1ccco1)OCO3 19973397 ZXCQWUVZVXPNJU-MHZLTWQESA-N 524.581 4.743 0 40 KJAB Cc1nc2sc([C@H](c3cccc(Br)c3)N3CCN(c4ccccc4F)CC3)c(O)n2n1 22627154 WWDJVCFQQJADDQ-IBGZPJMESA-N 502.413 4.618 0 40 KJAB COc1cc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)ccc1N1C(=O)c2ccccc2C1=O 22821685 HWPZMNDDDQCYEW-UHFFFAOYSA-N 500.363 4.929 0 40 KJAB COc1ccc(CN(C)C(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1OC 30847414 RFEUXELVBYDBRC-UHFFFAOYSA-N 503.020 4.520 0 40 KJAB CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCN(c3ccccn3)C[C@@H]12 33428995 JQFMYEZPWCCJHB-SHQCIBLASA-N 516.443 4.813 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2Cl)cc1 59852549 JRKCDVMHJJBSMC-UHFFFAOYSA-N 548.086 4.876 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c2ccccc2)cc1 59884048 RAOOWGKXPVMIJU-UHFFFAOYSA-N 535.647 4.630 0 40 KJAB O=C(O)c1ccccc1CN1CCN(Cc2ccccc2C(=O)O)CCN(Cc2ccccc2C(=O)O)CCN(Cc2ccccc2C(=O)O)CC1 95101055 ZWJRZGLOIBIWQH-UHFFFAOYSA-N 708.812 4.802 0 40 KJAB COCCn1c(SCCN2C(=O)c3ccccc3C2=O)nc2scc(-c3ccccc3Cl)c2c1=O 96021634 SEVKEPMMCRGPOV-UHFFFAOYSA-N 526.039 4.813 0 40 KJAB O=C1C[C@H](NCc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(N2C(=O)C[C@H](NCc3cccc(C(F)(F)F)c3)C2=O)cc1 101406214 PKHUESKAJFUHFK-ZEQRLZLVSA-N 618.534 4.568 0 40 KJAB COc1ccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2cccc(F)c2)S3(=O)=O)cc1 102451377 IWPIYKPRBFDSJK-UHFFFAOYSA-N 536.610 4.731 0 40 KJAB O=C(c1cccs1)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1N(Cc1ccccc1)C(=O)c1cccs1 102908576 SMDGFZULGLDLJJ-PSWAGMNNSA-N 550.727 4.960 0 40 KJAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 102910299 FBEJBQZQBWKLEH-UHFFFAOYSA-N 549.468 4.543 0 40 KJAB CCOc1ccc(NC(=O)c2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccc5ccccc5c4)C3=O)cc2)cc1 102995361 YBKLVPDXTNIAJW-WJOKGBTCSA-N 536.588 4.897 0 40 KJAB C[C@@H]1N[C@]2(C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 103017915 BSLNTCMTDKFTLK-WGTRGBAJSA-N 506.389 4.533 0 40 KJAB O=C(COc1ccc2c(=O)c(Oc3ccccc3F)coc2c1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 103053356 KGCHSYGHGOILJD-UHFFFAOYSA-N 552.580 4.917 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 108450239 KVALKUOKWPNZOQ-ODXYHCAUSA-N 640.781 4.521 0 40 KJAB biogenic COc1ccc(CNC(=O)[C@H](c2c[nH]c3ccccc23)N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)c2ccc3c(c2)OCCO3)cc1 150386096 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CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O 1374665 DSNMSGLOBGMIDH-HHHXNRCGSA-N 512.589 4.864 0 40 KJAB Cc1cc(C)nc(SCC(=O)N(Cc2ccccc2)[C@H](C(=O)Nc2ccc(N(C)C)cc2)C(C)C)n1 1407868 PRYWOPJJYVZDFC-SANMLTNESA-N 505.688 4.944 0 40 KJAB COc1cc(NC(=O)Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3cc(OC)c(OC)cc32)cc(OC)c1 2691666 MXJZDQWEFALNLG-UHFFFAOYSA-N 536.968 4.559 0 40 KJAB O=C1[C@@H](Cc2c[nH]c3ccccc23)N=C2c3ccccc3N=C(SCc3cc(=O)n4cc(Cl)ccc4n3)N12 2964272 JQACAUIXXINARN-HSZRJFAPSA-N 539.020 4.964 0 40 KJAB Cc1ccc(OCc2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)n2-c2ccccc2)cc1 6245559 XAQOHPGQHSQCJL-UHFFFAOYSA-N 533.679 4.925 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1 6973569 RBENFGSUXOJWRQ-GDLZYMKVSA-N 604.733 4.646 0 40 KJAB CCc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NCc2ccco2)c2ccccc2F)cc1 12487779 KDKLZTAOAKMTQM-AREMUKBSSA-N 519.598 4.863 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1)N(CCc1ccccc1)C(=O)CNC(=O)c1cccs1 12488351 OCMBYIFSCSDNES-SANMLTNESA-N 521.683 4.604 0 40 KJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)OCC(=O)N3CCC(Cc4ccccc4)CC3)ccc2C)c1 12582340 FAMVDPIJCIKOAV-UHFFFAOYSA-N 520.651 4.742 0 40 KJAB CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N1CCN(c2ccccc2F)CC1 13565035 OTTCLPGNWCSNND-UHFFFAOYSA-N 506.553 4.624 0 40 KJAB COc1ccc(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 20108951 QDRMHSYYQQIFSP-UHFFFAOYSA-N 517.047 4.956 0 40 KJAB COc1ccc(Cl)cc1NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22232224 MOMHZJWVFNKHQR-UHFFFAOYSA-N 509.411 4.986 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2Cl)cc1Cl 22269376 FJPRKQKRRSUSJU-QFIPXVFZSA-N 507.439 4.598 0 40 KJAB O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCc1ccc(Br)cc1F)N2Cc1ccc(Cl)cc1 32508724 XLKGQLLAPPHKCP-ZWKOTPCHSA-N 503.846 4.512 0 40 KJAB Cc1cc(C(=O)c2ccc(Br)cc2)c(NC(=O)CN2CCN(c3ccccc3F)CC2)s1 36350491 KUSYBMXEUUUAFD-UHFFFAOYSA-N 516.436 4.950 0 40 KJAB Cc1cc(-c2cc(NC(=O)COc3ccc(Cl)cc3)n([C@H]3CCS(=O)(=O)C3)n2)ccc1OC(C)C 41155873 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HLMNRGFKTLIQQU-UHFFFAOYSA-N 535.651 4.748 0 40 KJAB COC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 102899920 HZJPNHBSXHUMGE-CJAUYULYSA-N 554.441 4.555 0 40 KJAB COCCOC(=O)C1=C(Nc2ccccc2Cl)S[C@H](C(=O)Nc2ccc(Br)c(C)c2)C1=N 102925785 TZKDFVRCUJVYLD-IBGZPJMESA-N 538.851 4.998 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(N2C(=O)/C(=C/Nc3ccc(C)c(C)c3)c3ccccc3C2=O)c1 103005095 OBOSLPTZNMJQLP-NLRVBDNBSA-N 503.624 4.974 0 40 KJAB O=C(CSc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F)N1CCN(c2ccc(F)cc2)CC1 103123229 QQMCSYODZQYXIU-UHFFFAOYSA-N 544.986 4.897 0 40 KJAB COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)N3CCN(/C=C/c4ccccc4)CC3)c2c1 215699946 VGMMHAOVWQHDCR-RWNIHDCOSA-N 506.606 4.763 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 222494487 NBJSRQCYDZAJQK-OAQYLSRUSA-N 542.101 4.822 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1OC 222766027 URBQKEGQVKYPDU-QFIPXVFZSA-N 599.725 4.679 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 222960309 NWNKMGOMSYUXAT-QHCPKHFHSA-N 539.673 4.663 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 223151909 MIRLMOIMMZVVIM-JGCGQSQUSA-N 599.753 4.975 0 40 KJAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)cc1 223439319 JXDQMIACMNZLNM-RPBOFIJWSA-N 529.574 4.919 0 40 KJAB CCOCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)c(OC)c1 223532091 RBGGNCZUQYISKF-PMERELPUSA-N 534.653 4.568 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223633537 QOGPJMQSCPEQAK-HHHXNRCGSA-N 551.709 4.613 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 223647809 USEHVRXAFSVFHO-RUZDIDTESA-N 536.138 4.918 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223721008 NILKAYRBYOOAFV-AREMUKBSSA-N 576.546 4.699 0 40 KJAB 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CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224542841 LIYVYAWETKCAAO-XMMPIXPASA-N 570.539 4.634 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 224597477 FRHTZYLWGXSFJD-SANMLTNESA-N 564.148 4.761 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 224768769 GXQUCDUXMNBTOV-DEOSSOPVSA-N 540.101 4.605 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224804481 BMFXEBFZXQHYRI-NDEPHWFRSA-N 549.737 4.543 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 224923315 OMSNKTHUACJZLA-MHZLTWQESA-N 546.067 4.881 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 224992263 PRJPASXJHVYCKU-MHZLTWQESA-N 630.605 4.779 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 224996704 WOZINOSZPGCXLU-JOCHJYFZSA-N 572.127 4.796 0 40 KJAB 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C[C@]1(Cc2ccccc2)CCc2cc(C(=O)NS(=O)(=O)c3ccccc3Br)ccc2O1 257249748 JJPSOIKGPGKRBW-XMMPIXPASA-N 500.414 4.894 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)C)c1 260730718 KHOCHFSBKWIPBW-JOCHJYFZSA-N 572.127 4.794 0 40 KJAB Cc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 260795105 OUXOGTUXFHUENV-HSZRJFAPSA-N 553.700 4.704 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)c1 260821953 WXOYQCYEWPLQSB-OAQYLSRUSA-N 534.122 4.589 0 40 KJAB CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](CC)C(=O)NC)S(=O)(=O)c2ccc(SC)cc2)cc1 260858150 KXIIABRFYPIODY-MUUNZHRXSA-N 583.776 4.598 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)c2ccccc2F)cc1 260870648 DQPDUZJCSBZUTQ-XMMPIXPASA-N 553.700 4.827 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 260958460 WJXPRVUIXLIIOR-HSZRJFAPSA-N 553.700 4.773 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1 261014437 HJDRJTSAMKLOJF-JOCHJYFZSA-N 569.699 4.752 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 261113405 YDOUAFCHMPICAV-UXHICEINSA-N 540.101 4.666 0 40 KJAB Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCc3cccs3)CC2=O)cc1 408579138 MYAGHEYGQGPHAX-SFHVURJKSA-N 556.482 4.814 0 40 KJAB COC(=O)c1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc(C(=O)OC)c1 408615419 QDWZBGSVGXGRPP-UHFFFAOYSA-N 530.986 4.583 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)c2ccc(Cl)cc2)cc1OC 408629424 AYRUYGNIHXLSQA-UHFFFAOYSA-N 572.083 4.817 0 40 KJAB COc1ccc(Cl)cc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1C 408646032 NIJUCNMGKIFLIT-UHFFFAOYSA-N 518.191 4.974 0 40 KJAB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 408676513 DFIKWUAOMROKQA-UHFFFAOYSA-N 576.216 4.891 0 40 KJAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCSCc3ccc(Cl)c(Cl)c3)CC2)cc1 408678236 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PDHNOYPMJOHVAJ-XMMPIXPASA-N 536.633 4.629 0 40 KJAB c1ccc(CCn2nnnc2[C@H](c2ccccc2)N2CCN([C@H](c3ccccc3)c3nnnn3CCc3ccccc3)CC2)cc1 100435146 PSTLTHZPCQUALY-AQOUDTPCSA-N 610.770 4.642 0 40 KJAB O=C1NC(=O)[C@H]2[C@@H]1Sc1c(sc(=O)n1-c1ccccc1)[C@@H]2c1cn(Cc2ccccc2)c2ccccc12 100864186 NHKZNQOKWPYMRU-SMIHKQSGSA-N 523.639 4.781 0 40 KJAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)ccc1C 103012633 LFRDDZRRIOANRB-UHFFFAOYSA-N 578.112 4.885 0 40 KJAB O=C(NC(=S)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(F)cc3)sc2c1)c1ccc(F)cc1 105220586 VKIZPEVAOWFJTQ-UHFFFAOYSA-N 527.603 4.828 0 40 KJAB O=C(COC(=O)c1ccc(N2C(=O)C[C@H](SC(=S)N3CCN(Cc4ccccc4)CC3)C2=O)cc1)c1cccc(Cl)c1 113563635 AMDYJHKNWQKDAZ-MHZLTWQESA-N 622.168 4.848 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccccc3)CC2)cc1 113632826 NEXMLPCYOHEJOT-UHFFFAOYSA-N 589.739 4.537 0 40 KJAB COC(=O)c1ccc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2-c2ccc(OC(F)(F)F)cc2)o1 150508720 PPGCGAKWUKWDDS-UHFFFAOYSA-N 624.619 4.526 0 40 KJAB CC(=O)c1ccc(N2CCN(C(=S)S[C@@H]3CC(=O)N(c4cc(Cl)ccc4Cl)C3=O)CC2)cc1 215761195 ZQJFNFJOQSLPAI-HXUWFJFHSA-N 522.479 4.668 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 222403846 HXLMPNWZOAYJOB-XMMPIXPASA-N 522.111 4.527 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 222509270 ORLDQPWGQWXSLM-AJTFRIOCSA-N 569.699 4.752 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 222519698 UYAJWCJDCVKGLS-XMMPIXPASA-N 600.927 4.938 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 222597958 WVDSARMLPNHBBV-HSZRJFAPSA-N 522.111 4.527 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 222769071 IOGFSNNQNKKIOD-NRFANRHFSA-N 548.920 4.745 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 222899508 SIUDKUNSEWATIY-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@@H](C)C(=O)NCc2ccccc2)cc1 222940756 JVEADPOJLCQJIP-QHCPKHFHSA-N 605.688 4.748 0 40 KJAB CCc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC(C)(C)C)c(Br)c1 223048255 NPASNDSIBLQKNT-KRWDZBQOSA-N 505.453 4.731 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 223592187 SARAKMPKPUXIBQ-AREMUKBSSA-N 569.699 4.752 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 223637880 UYBBGRTULKTXQF-NDEPHWFRSA-N 593.746 4.685 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 223649101 QKQHDKZPXDDGOC-RUZDIDTESA-N 515.720 4.573 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1 223803815 QUNCZQNWNHVIKC-SFHVURJKSA-N 574.065 4.909 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 223852996 HHHGCAHZZJIBMV-ZDUSSCGKSA-N 555.311 4.620 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(Br)cc1 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KCLPLRWCRUVSFY-AREMUKBSSA-N 538.597 4.770 0 40 KJAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)C2CCN(Cc3ccccc3)CC2)cc1OC 39768886 UHMBDBNJZRXDJZ-UHFFFAOYSA-N 501.627 4.527 0 40 KJAB COc1ccc(CN(Cc2ccco2)[C@H](c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2C(C)(C)C)cc1 57608275 PCOZVPHDXKJTEQ-AREMUKBSSA-N 512.614 4.971 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(C(F)(F)F)c2)Cc2ccccc2)cc1OC 59834836 MSIVLTRJRXOJMD-UHFFFAOYSA-N 526.508 4.691 0 40 KJAB COc1cc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc(Br)c1OCc1ccccc1 66136415 GWLAUGWIGDBGQF-OAQYLSRUSA-N 531.472 4.902 0 40 KJAB COc1cc(CNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc(OC)c1OC 70664494 ZNQPELKAXXCDQN-QFIPXVFZSA-N 564.635 4.501 0 40 KJAB biogenic COc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3c2ccc(Cl)c3C)[C@@]12C(=O)Nc1ccccc12 70699782 NSGMPQZQRZASNL-SFYJVUIZSA-N 528.008 4.672 0 40 KJAB biogenic COc1cc2c(c(OC)c1OC)-c1ccc(N3CCN(c4cccc(Cl)c4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 70700671 NDJPKOGWGVGZTF-VWLOTQADSA-N 564.082 4.843 0 40 KJAB biogenic COc1ccc(/C=C/c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4ccccc4)c(=O)n3n2)cc1OC 97946791 WVPRPNXALTXSJP-KTJMJWFFSA-N 533.613 4.739 0 40 KJAB COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(Cc3ccc(OC)c(OC)c3)C2=S)cc1 97952103 OPIBTPKIWBDZRL-QFIPXVFZSA-N 540.041 4.897 0 40 KJAB CCCCNS(=O)(=O)c1ccc2c(c1)nc(C1CCN(S(=O)(=O)c3cccs3)CC1)n2CCCC 97982679 ABJNZTPODFKLNK-UHFFFAOYSA-N 538.761 4.545 0 40 KJAB Cc1cc(-c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c(C)c2)ccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 100058989 QGJQPPXXVHWOTP-HKNAVZORSA-N 504.586 4.593 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1 100185518 VVCKOSMGDDJGCV-PQRKSKNISA-N 533.653 4.801 0 40 KJAB COc1ccc(CCNC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 100237902 DQFKAMCRPLMJTD-UHFFFAOYSA-N 537.465 4.560 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(C(=O)Cn1nnc2ccccc21)c1cc(OC)cc(OC)c1 100356542 HTKOXCGGKPAYRG-MUUNZHRXSA-N 545.640 4.536 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 100746438 GMQYYJVHKORXFR-HZHYMEEXSA-N 531.033 4.598 0 40 KJAB CCOc1cc(C(c2c(C)nn(-c3ccc(C(=O)O)cc3)c2O)c2c(C)nn(-c3ccc(C(=O)O)cc3)c2O)ccc1O 100982636 MKXOVEAUBPKTNH-UHFFFAOYSA-N 584.585 4.767 0 40 KJAB COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(S(=O)(=O)Nc5nc(C)cc(C)n5)cc4)c3n2)cc1 101045700 CCKYVEJOLNFVQU-UHFFFAOYSA-N 579.589 4.802 0 40 KJAB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Br)c2OC)N3)C1 102079353 WQWDNMZBYLKMQD-MRXNPFEDSA-N 545.253 4.650 0 40 KJAB CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCCc3ccccc3)C(=O)N12)C(=O)NC1CCCCC1 102740393 DETWWIMQIQCUIJ-UIOOFZCWSA-N 559.736 4.745 0 40 KJAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccccc1 102744420 GZQFZDNPGFECFD-PVHODMMVSA-N 526.570 4.505 0 40 KJAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 102927742 CGLFNYRPRZPUDX-JOCHJYFZSA-N 576.096 4.633 0 40 KJAB COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c(Cl)cc2Cl)cc1Cl 102971893 SCCRIQJIOZXVPN-RYUDHWBXSA-N 537.849 4.714 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(N3CCCCC3)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 102972517 VVULOJDZCSJVJH-UHFFFAOYSA-N 536.075 4.941 0 40 KJAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 103000235 FDEWNBOTLZANKL-UHFFFAOYSA-N 534.421 4.708 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1 103082647 FLWFMMITGUJPKT-JOCHJYFZSA-N 590.171 4.991 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C\c3cn(C)c4ccccc34)c2=O)=N1 103755258 SUQMLMVFEHDUOO-RISWYLRJSA-N 594.531 4.841 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(C(=O)OC)c4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 105497392 NYZQSUWQBOWTHG-MFCBUNOESA-N 623.083 4.516 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 150396027 NUHIMRFANHNZDL-SFKHYTNKSA-N 665.562 4.733 0 40 KJAB COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2Cl)cc1OC 206591869 URDOAVKNWUDGTE-UHFFFAOYSA-N 502.017 4.908 0 40 KJAB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 215967075 VPSJQNMDNGWCBH-UHFFFAOYSA-N 571.080 4.754 0 40 KJAB CCN(c1ccc(OCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1)S(=O)(=O)c1ccc(C)cc1 216516955 BERVQKOMNKBAPE-UHFFFAOYSA-N 542.101 4.900 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 222418151 YPHDVAMVZSIZAS-NDEPHWFRSA-N 551.709 4.531 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 222435268 YABQSBXGMPBFIR-HHHXNRCGSA-N 565.736 4.839 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 222565149 GTYZYTBCIPRZRD-IBGZPJMESA-N 548.492 4.660 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1Cl 222628325 JVMAKNIWTIVNDT-QFIPXVFZSA-N 515.835 4.867 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 222970798 KLKIJKIBMMCHBK-DEOSSOPVSA-N 611.761 4.631 0 40 KJAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCc2ccc3c(c2)OCO3)cc1OC 223034728 KWHXWIFGXCRILL-MUUNZHRXSA-N 566.654 4.932 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 223069686 ADDBGDCRPXTZFC-DEOSSOPVSA-N 581.735 4.541 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223152880 RQRVKENFJPCHRD-FCHUYYIVSA-N 646.604 4.994 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O 223220156 CKWGBBKMHLYMHD-SSEXGKCCSA-N 563.764 4.880 0 40 KJAB COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 223237450 WAVVLBBLOUBXFW-JGCGQSQUSA-N 605.801 4.825 0 40 KJAB Cc1ccc(CNC(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 223297952 XIHMVUUJQQTONU-JGCGQSQUSA-N 569.727 4.843 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 223378076 SHEAALSAYBDEKX-RUZDIDTESA-N 606.970 4.645 0 40 KJAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 223470977 VJDDTZMWVNHKJQ-SANMLTNESA-N 575.653 4.805 0 40 KJAB CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 223517007 JNARNVHAGXEZGS-SSEXGKCCSA-N 565.736 4.612 0 40 KJAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 223518456 VGZBGOWEDWRNLY-RUZDIDTESA-N 535.710 4.566 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(OC)cc1 223964534 KEYFNEFWISSZDG-RBISFHTESA-N 504.627 4.637 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 224235295 MYTHMQDYVXQTJG-MUUNZHRXSA-N 535.710 4.635 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 224278693 PBXABHURYQEHFN-HHHXNRCGSA-N 572.127 4.796 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCCO2 224326341 HTTSWPGITRROHY-AREMUKBSSA-N 504.602 4.696 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 224338196 NALSORUUBNQPQK-DEOSSOPVSA-N 534.122 4.589 0 40 KJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2Cl)c(C)c1 224377692 HCQRHOBNMWNTJB-UHFFFAOYSA-N 606.166 4.741 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 224426384 DYUGPFJBAFWMHB-MUUNZHRXSA-N 614.606 4.998 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 224511888 GARSCHCKEBNIFM-RUZDIDTESA-N 582.550 4.828 0 40 KJAB O=c1sc2cc(S(=O)(=O)NCc3ccc(CN4CCCC4)cc3)ccc2n1Cc1ccc(Cl)cc1 224520977 MPXIQEXDWGJMPT-UHFFFAOYSA-N 528.099 4.839 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 224700651 RTVIBMMWZSHLED-SFHVURJKSA-N 572.953 4.591 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 224729580 CFXVANRXSTXXQG-NRFANRHFSA-N 608.599 4.870 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 224748659 PXDWQOYSRAVZOK-VWLOTQADSA-N 535.710 4.751 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 224843228 UXIVMEQWQGXREG-PMERELPUSA-N 579.763 4.715 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 224948322 XGSQQSWEQQQLIU-PMERELPUSA-N 579.738 4.853 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 225077007 MKSKHHXNCTWCPV-SANMLTNESA-N 527.731 4.634 0 40 KJAB CCOc1ccccc1N(Cc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3CC)cc1)S(C)(=O)=O 225119231 KEAZVHCAAQHPLI-UHFFFAOYSA-N 525.652 4.700 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 225161702 QDGPXYAWGKIADY-VQTJNVASSA-N 522.111 4.561 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 225198051 AHKOOCOPIFQSBR-MHZLTWQESA-N 572.127 4.878 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 225297598 KTWHGVVPLXMSTH-MUUNZHRXSA-N 570.155 4.971 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 225350292 OGWSDFHCHYUWEL-NRFANRHFSA-N 566.910 4.886 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 225375661 SKFJGSLMBFORPS-GDLZYMKVSA-N 565.736 4.787 0 40 KJAB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)ccc1NS(C)(=O)=O 225432626 YGGZNJNDPOQPRY-RPBOFIJWSA-N 525.700 4.946 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 225569650 FHUGAEPXVCAXDR-UFHPHHKVSA-N 595.762 4.930 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 225647124 DYJBZZABAPURJX-BKMJKUGQSA-N 569.699 4.752 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(-c3csc(NC)n3)ccc2OC)cc1Cl 226076211 JUGWWEXLAJFBSI-UHFFFAOYSA-N 539.079 4.562 0 40 KJAB COC(=O)C1=C(NC(=S)N2CCN(c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC)C[C@@H]2C)S[C@@H]2CCCCC[C@H]12 253387780 RWHJQRLURFQVQQ-SGXKBVARSA-N 644.791 4.648 0 40 KJAB O=C(C[C@]1(COc2ccc(Cl)cc2)CCCN(S(=O)(=O)c2ccccc2F)C1)N1CCCCC1 257327270 XASVLKAPXSJRGW-RUZDIDTESA-N 509.043 4.732 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](CC)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 260713423 DGNVKVUKRPGLAM-GDLZYMKVSA-N 565.736 4.921 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccccn1)c1ccccc1)Cc1ccccc1 260725297 ULGXOWKIUUTTDH-PMERELPUSA-N 591.133 4.583 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 260875004 BKPRDSRAFLOILO-GCJKJVERSA-N 542.529 4.790 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1C 260917983 SENPYPRNBGEKPA-LJQANCHMSA-N 542.529 4.566 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)c1ccc2c(c1)OCO2 260981160 LCZHFJKOAFHPQA-AREMUKBSSA-N 614.164 4.780 0 40 KJAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)S(C)(=O)=O)cc1C 408542860 AXRQBADTLCWCAN-LJQANCHMSA-N 550.102 4.859 0 40 KJAB CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 408545444 QGLKWZQMEJABFB-UHFFFAOYSA-N 500.020 4.622 0 40 KJAB O=C(NCc1ccc2c(c1)OCO2)C(=O)Nn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2cc(Cl)ccc21 408573544 BSVBFGPJKMNHPF-UHFFFAOYSA-N 559.793 4.969 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2 408618574 KDSFMIXSCXXGSM-UHFFFAOYSA-N 610.495 4.852 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2F)Cc2ccccc2)cc1 408635587 FKMRJNUNKNGUHY-UHFFFAOYSA-N 521.408 4.817 0 40 KJAB C[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408683358 MRCCEIZWXVOZMY-BLISBBOJSA-N 549.410 4.756 0 40 KJAB CCOc1cc(/C=C2/N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC(=O)c1ccc(C)cc1 408838042 BPBJRNXKPGGEOB-FYJGNVAPSA-N 517.534 4.983 0 40 KJAB COC(=O)c1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(SC)cc3)C(C(=O)OC(C)C)=C(C)N=4)o2)cc1 408927277 VSSDSCFGJJSPOZ-ZGOFBEGVSA-N 588.707 4.955 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5ccc(I)cc5)o4)c(=O)n32)cc1OCC 408942201 WQHRUBJIYJXESH-MLGNGQMDSA-N 656.498 4.680 0 40 KJAB CCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 409022633 DSJGABCLMSEOMF-AYTQJLEDSA-N 554.668 4.733 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)O)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409084863 QTFAYKHTEVEOTB-ZWTBYVTRSA-N 667.534 4.926 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)c(=O)n2[C@@H]1c1ccccc1OC 409105197 HKCRCFBFNFTOMA-QTTRZTASSA-N 606.100 4.724 0 40 KJAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4cccc(C(=O)O)c4)c(Br)c3)C2=O)c1 409106914 PXVSGPBJSQLHNQ-LPYMAVHISA-N 564.392 4.566 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c2=O)=N1 409152172 DOSFFYJNCWLHKZ-GOQPZEPVSA-N 620.775 4.999 0 40 KJAB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)c4ccccc34)C2=O)ccc1Cl 409153453 DAEHKJAYQXTMRA-SRZZPIQSSA-N 510.955 4.963 0 40 KJAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C1=O 409232272 NPPAZZDUEHJBPT-OEAKJJBVSA-N 514.969 4.883 0 40 KJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)c(O)c(Br)c3O)C2=O)cc1 409261577 DDBLPLQUGXEGEF-QPEQYQDCSA-N 542.205 4.606 0 40 KJAB CCN1CCN(C(=S)c2cc(Br)c(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)CC1 409264937 LVLBGSFNLKTUHT-UHFFFAOYSA-N 540.911 4.750 0 40 KJAB CCn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C 409357231 HVXJZMKQTGSIFT-HXUWFJFHSA-N 516.023 4.508 0 40 KJAB O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1F)c1ccccc1Cl 409381817 NUZWGTNBKZZXSF-PMACEKPBSA-N 520.296 4.607 0 40 KJAB COc1ccccc1CC(=O)N1CCCC[C@H]2CN(c3ncc(C(=O)O)c(CCC4CCCCC4)n3)C[C@H]21 585266186 VPFFHRWSXWBBLD-JYFHCDHNSA-N 520.674 4.756 0 40 KJAB COc1cccc(CCc2nc(N3CCc4ccccc4C3)ncc2C(=O)N(CC(=O)O)Cc2ccccc2)c1 585267432 MNHQICSWQWHULR-UHFFFAOYSA-N 536.632 4.560 0 40 KJAB CCOc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O 604404833 SOGHWCSKFCDMNE-REWPJTCUSA-N 532.593 4.964 0 40 KJAB biogenic CCCCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cnc4ccccc4c3)CCO2)C1=O 643557564 XVDQOMABCNYTAD-HKBQPEDESA-N 515.654 4.880 0 40 KJAB COCC(=O)N1CCCCCCCN(Cc2ccc(OCCN3CCOCC3)cc2)Cc2cc(-c3cncnc3)ccc21 643563348 SDTVVYNGECZQOJ-UHFFFAOYSA-N 587.765 4.800 0 40 KJAB COc1ccccc1N1CCN(C(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)CC1 655890 QXSSGUGKAWBWRO-UHFFFAOYSA-N 528.074 4.510 0 40 KJAB CCC(C)(C)n1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 926919 IIKJFKIKVPPFQC-UHFFFAOYSA-N 518.662 4.539 0 40 KJAB CC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccccc1OC)Cc1cc2c(C)ccc(C)c2[nH]c1=O 1375640 WGGBGVOTELGTCP-RUZDIDTESA-N 512.614 4.935 0 40 KJAB CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C\c3cccc4ccccc34)c(=O)n21 2162945 UUIWIGZVNBQVKI-WHNPURCTSA-N 542.657 4.749 0 40 KJAB CC1(C)Cc2c(sc3nc(SCCN4C(=O)c5ccccc5C4=O)n(-c4ccccc4)c(=O)c23)CO1 2234586 HLZBNSBNFMBOPD-UHFFFAOYSA-N 517.632 4.687 0 40 KJAB CC(C)(C)NC(=O)c1cc(N2C(=O)c3ccc(C(=O)NC(C)(C)C)cc3C2=O)cc(N2C(=O)c3ccc(C(=O)NC(C)(C)C)cc3C2=O)c1 4066135 PERIUSWMGOENRA-UHFFFAOYSA-N 665.747 4.873 0 40 KJAB CCc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(OC)cc3)c(=O)c3ccc(C(=O)NCc4ccc(C)cc4)cc32)cc1 8596078 STMXENGGQJTBAU-UHFFFAOYSA-N 576.653 4.601 0 40 KJAB CC(=O)O[C@@H](C(=O)/N=c1\sc2cc(C)ccc2n1C(=O)[C@H](OC(C)=O)c1ccccc1)c1ccccc1 9088415 QJVVMTWAUVLGRR-VFBDJFQSSA-N 516.575 4.688 0 40 KJAB COC(=O)c1ccc(NC(=O)CSc2[nH]c(-c3ccccc3)nc2S(=O)(=O)c2ccc(C)cc2)cc1 12252979 QJWATAMPYKDPSX-UHFFFAOYSA-N 521.620 4.735 0 40 KJAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)C[C@@H]1Sc2ccccc2NC1=O 12529565 DLUWNBXMTVUUAQ-FQEVSTJZSA-N 510.593 4.577 0 40 KJAB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC 12662434 GVFGORHLALSXTD-LBLHBGJRSA-N 511.615 4.638 0 40 KJAB biogenic CCOc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccc(F)cc2)c1 12713039 KEAJWPNVWKKXIF-NDEPHWFRSA-N 517.605 4.906 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)[C@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 13495684 PLELSWHGNGUWEI-AREMUKBSSA-N 516.577 4.847 0 40 KJAB CCC[C@H](c1nnnn1C(C)(C)C)N(CCc1cccc(C)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 13500760 NDCFAWPOOSXHQO-XMMPIXPASA-N 516.646 4.893 0 40 KJAB CCc1ccc(NC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)C(C)C)cc1 15954382 DFZANRHKEXJNNJ-DQEYMECFSA-N 544.737 4.506 0 40 KJAB biogenic COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1OC 15988982 LXAIVCHHSHJWRD-QEGGNFSNSA-N 514.965 4.756 0 40 KJAB Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(c4cccc(C)c4C)CC3)c(=O)[nH]c2c1 19941467 XEJBUBYNNHWMMB-MUUNZHRXSA-N 511.674 4.857 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)c2ccc(Br)cc2)cc1 22431009 XQMBRPQSQLFGTB-QGZVFWFLSA-N 505.409 4.969 0 40 KJAB COc1cc(Cl)c(C)cc1NC(=O)Cn1c(C)cc(C)c(S(=O)(=O)c2ccc(Cl)s2)c1=O 35396843 GPESWRZSWJJRSX-UHFFFAOYSA-N 515.440 4.622 0 40 KJAB CCc1ccccc1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1Cl 59671363 WTEZVVRRQIZTBC-IEBWSBKVSA-N 532.009 4.635 0 40 KJAB COC(=O)c1cc2cc(NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(OC)c(C)c3)ccc2s1 59836445 YNFIETPEOZJKLN-UHFFFAOYSA-N 552.674 4.877 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)c2)cc1 59923190 COZHHVJZSFVVKQ-UHFFFAOYSA-N 557.053 4.897 0 40 KJAB CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C(=O)Nc2ccc(C(C)C)cc2)C(C)C)CC1 70691644 WPORDPBAJSLOIF-LOSJGSFVSA-N 576.804 4.774 0 40 KJAB biogenic Cc1ccc(C)c(N(C(=O)/C=C/C(=O)Nc2cc(C)on2)[C@H](C(=O)NCCc2ccccc2)c2ccncc2)c1 100402836 AYNMFJUWVPTHFD-IWRMORTISA-N 537.620 4.623 0 40 KJAB O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(=O)[nH]c3c(C(=O)NC4CCCC4)sc(=S)n3c2c1 102742667 YENSNQJCQFHUSA-UHFFFAOYSA-N 625.220 4.840 0 40 KJAB COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4C)[C@@H](c4ccccc4)[C@@H]3C2=O)sc2c1CCCC2 102863206 SZKOLGDUOUMZTP-HJOGWXRNSA-N 502.592 4.773 0 40 KJAB 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0 40 KJAB COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCN(c5cccc(OC)c5)CC4)cc3N2)cc1 3011601 ZWVRUSYDEOICNV-GGAORHGYSA-N 515.536 4.523 0 40 KJAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCCCCNC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C 4804396 GFANDROCUWMWBP-HNRBIFIRSA-N 582.742 4.681 0 40 KJAB CCOc1ccc(NC(=O)C[S@](=O)CC(=O)N(c2ccc(OC)c(OC)c2)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)o2)cc1 6601172 LJLYBCAJLWXKLW-VTHZGGHBSA-N 639.771 4.915 0 40 KJAB CCS(=O)(=O)c1ncc(N(Cc2ccccc2)Cc2ccco2)c(C(=O)Nc2ccc(C)c(C)c2)n1 8654577 VUWUVWOAPFJHHW-UHFFFAOYSA-N 504.612 4.939 0 40 KJAB aggregator COc1ccc(NC(=O)C2(N(Cc3cccnc3)C(=O)CN3C[C@@H](c4ccccc4)NC3=S)CCCCC2)c(OC)c1 8695921 XGEJGKVZGQSWNI-MHZLTWQESA-N 587.746 4.700 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cc(OC)ccc1OC)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 13023963 KSRIKTNGEFFBAO-MUUNZHRXSA-N 529.641 4.523 0 40 KJAB c1ccc(-n2ncc3c(N4CCN(C5c6ccccc6-c6ccccc65)CC4)nc(N4CCOCC4)nc32)cc1 13549892 SKWVGLXGJNLTRO-UHFFFAOYSA-N 529.648 4.544 0 40 KJAB 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O=C(CCCC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1)Nc1ccccn1 100361238 IVFSDPTXLRUPFT-SSEXGKCCSA-N 560.626 4.887 0 40 KJAB COc1ccc([C@H]2NC(=O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)cc1I 102081367 WNIBNBNVCLEGMV-NRFANRHFSA-N 531.419 4.774 0 40 KJAB COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C[C@H]5c5ccccc5)[C@H]4C3=O)c2)cc1 102097236 NOJLYHLLLZUMDR-KAKVGEDNSA-N 509.558 4.664 0 40 KJAB O=C1[C@@H]2N=NN(CC(=O)N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc12 103085859 PVXDJLRZJUVMAK-CRXYYGHGSA-N 528.572 4.511 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4ccc(O)c(Br)c4)c(=O)n32)cc1 103865480 ZDFFDRPMCLGOBN-FQKMCRJQSA-N 604.526 4.967 0 40 KJAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 104150559 DRALDEYSNGRUOW-SBJIJDAESA-N 586.800 4.546 0 40 KJAB biogenic COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)cc2)cc1OC 105318548 ZKQJNYZYJWANDZ-UHFFFAOYSA-N 566.552 4.853 0 40 KJAB CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4cc(Br)ccc4Cl)c3)nn12 105351458 LYOPJQDESOONRM-UHFFFAOYSA-N 521.853 4.958 0 40 KJAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc1Br 105351813 MPEMKEUPWGNDPZ-UHFFFAOYSA-N 547.519 4.669 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1I 110163616 MLOSBRZBNXWJFB-UHFFFAOYSA-N 592.864 4.863 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 111465675 HFAKZFOBUCHUCX-CBPRFPNYSA-N 620.683 4.991 0 40 KJAB O=S(=O)(NCCNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)c1cc(Cl)c(Cl)cc1Cl 145889527 YSNFUXGGJAJSRB-UHFFFAOYSA-N 547.096 4.864 0 40 KJAB CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 150372322 NGNZQSPFQJCBJQ-LTLCPEALSA-N 785.983 4.724 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 214653607 KDKHUEHQZCFTCQ-UDWIEESQSA-N 581.872 4.585 0 40 KJAB 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CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 223736425 DPNKVQJFGPNOPG-NFQMXDRXSA-N 592.108 4.939 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 223752587 LQWSPONQCVSTTI-MGBGTMOVSA-N 629.779 4.984 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 223784101 VPPCVRANNURPHK-OAQYLSRUSA-N 560.091 4.845 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 223852805 FRAFKFCJLWMHLL-DEOSSOPVSA-N 553.700 4.890 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 223939211 UGIYLDQYUHTLQK-HXUWFJFHSA-N 590.515 4.727 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 223988486 RIRNFSWRVMUJAH-MRXNPFEDSA-N 560.931 4.889 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 224021207 XEEYGSLASPOFAP-VWLOTQADSA-N 577.747 4.983 0 40 KJAB 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CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 225553940 VUKIPMPRYHHXJK-JGCGQSQUSA-N 599.753 4.893 0 40 KJAB COC(=O)c1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccc(F)cc1 225603543 NKPJGYDMLSOAJO-SXOMAYOGSA-N 543.624 4.799 0 40 KJAB Cc1c(Cl)cccc1N(CCCC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O 225691722 XIILQTWTADJSEU-FQEVSTJZSA-N 540.101 4.523 0 40 KJAB O=C1[C@@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]2[C@@H]2[C@H](c3ccccc3O)c3sc(=O)[nH]c3S[C@H]12 245229058 MCQJXXZRIXGSNV-IYIKMHAFSA-N 544.576 4.839 0 40 KJAB O=C(Cc1ccc(C[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)cc1)NS(=O)(=O)c1ccccc1C(F)(F)F 257231351 GGHGFMUFDPEZJZ-DEOSSOPVSA-N 590.620 4.581 0 40 KJAB COc1cccc(S(=O)(=O)N2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCCCC3)C2)c1 257258102 KSKNPEVEUNOZJO-MHZLTWQESA-N 535.106 4.910 0 40 KJAB COc1cc(CN(C(=O)COc2c(OC)cccc2C(=O)O)[C@@H](C)c2ccccc2)cc(OC)c1OC 257266966 MFIUPCXAPGXIGM-SFHVURJKSA-N 509.555 4.588 0 40 KJAB COc1ccc(N(CC(=O)N2c3ccc(Br)cc3C[C@H]2C)S(=O)(=O)c2cc(C)ccc2OC)cc1 260731231 DQHMFQKXKKFXCZ-GOSISDBHSA-N 559.482 4.948 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccccc1 260747309 ABBCEARNIJXWAK-HSZRJFAPSA-N 581.710 4.896 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)c1 260761324 TXOMFERCQDHFBX-JOCHJYFZSA-N 572.127 4.794 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](CC)C(=O)NC)S(=O)(=O)c1ccc(C)cc1 260864213 ZGSNRZBTSRSDTO-RUZDIDTESA-N 572.127 4.796 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 260929194 VWASHWKNRJNAPP-RPWUZVMVSA-N 551.709 4.531 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 260962922 LJXUOJPCNVMJFF-HSZRJFAPSA-N 551.709 4.531 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 261006484 SNYJVFVCGBQIKI-PKTZIBPZSA-N 539.673 4.661 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 261017772 VQSAKJUIODOSID-NVQXNPDNSA-N 529.747 4.515 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 261104408 WUZRDCLZSJOVHB-SVEHJYQDSA-N 549.737 4.624 0 40 KJAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(N4CCOCC4)cc3)nnc2-c2ccccc2O)c(C)c1 408542969 MACPYBHGXIMBJP-UHFFFAOYSA-N 515.639 4.824 0 40 KJAB O=C(COc1ccc(N2C[C@H](C(=O)NCc3cccs3)CC2=O)cc1)Nc1cc(Cl)cc(Cl)c1 408577959 JQFRSXWMWGYVNQ-OAHLLOKOSA-N 518.422 4.742 0 40 KJAB O=C(Nc1ccccc1F)C(=O)Nn1c(C(=O)Nc2ccc(F)cc2)cc2cc(Br)ccc21 408578915 WTJRKFHNTIUMTB-UHFFFAOYSA-N 513.298 4.643 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3O[C@H](C)CC)c(=O)n2[C@@H]1c1ccccc1Cl 408603110 QDVWMFBENWJCNX-NARRUKHZSA-N 511.043 4.629 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1Cl 408618186 DEYIBLYWDWVFFC-UHFFFAOYSA-N 556.128 4.548 0 40 KJAB CCOC(=O)c1c(NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)sc2c1CCC2 408619842 NXNYLMXTGFJTLP-QGZVFWFLSA-N 528.652 4.999 0 40 KJAB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)cc2)c1 408638100 BVMMCLCUINPEPH-NPFIHWEYSA-N 611.050 4.861 0 40 KJAB COc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1OC 408694740 MBLUIXVTNFZSLM-UHFFFAOYSA-N 512.628 4.609 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 408703944 WPQFOWPOJCMCJM-UHFFFAOYSA-N 571.721 4.930 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 408711151 VYEFRUUQODMMEA-UHFFFAOYSA-N 580.128 4.951 0 40 KJAB COc1ccc(CCNC(=O)c2ccc(N(Cc3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)cc1OC 408712130 ALXXFCKTXGCPIF-UHFFFAOYSA-N 537.465 4.949 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C(=O)OCC)cc4)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408835038 WRAJFPCREYDJAT-ITNAUSPISA-N 626.731 4.953 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 408920668 MJGYKHMLCFWOKE-UHFFFAOYSA-N 572.492 4.516 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)cc(I)c4OC(C)C)c(=O)n32)cc1OCC 408945214 NFIPLWOYFMOXTC-RLMQVFMBSA-N 727.415 4.970 0 40 KJAB CCOC(=O)c1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccccc3OC)C(C(=O)N(CC)CC)=C(C)N=4)o2)cc1 409091528 UYMUQFCKEXSGLS-HSUOJCLFSA-N 599.709 4.549 0 40 KJAB COCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(I)cc3)c(OC)c2)C1=O 409133867 UQCCFCFRGOZLIN-XDHOZWIPSA-N 525.364 4.562 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Sc4nccc(C)n4)o3)c(=O)n2[C@H]1c1ccccc1OC 409275760 WODCZQVXQKYCGO-FCKOQQNDSA-N 654.612 4.717 0 40 KJAB CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(Br)cc1C(C)C 409343925 JHNNACPTOGYZHR-UHFFFAOYSA-N 560.518 4.782 0 40 KJAB Cc1ccc(NC(SCC(=O)Nc2ccc(Br)cc2C(F)(F)F)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 409375120 FVPAUMKIMHXPHW-UHFFFAOYSA-N 585.402 4.822 0 40 KJAB COc1cccc(C(=O)O[C@H](C(=O)Nc2ccc(Br)c(Cl)c2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1 409377670 KELUSGJXYMOCFA-FCHUYYIVSA-N 606.809 4.594 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 409382793 OYLHBLHQVVASCS-MYYYXRDXSA-N 683.524 4.939 0 40 KJAB COc1ccc(CN2CCOc3ccccc3CCCCC3(CCN(C(=O)c4cc[nH]n4)CC3)C2)cc1 643570436 FYSUMXNVJYTMEQ-UHFFFAOYSA-N 502.659 4.948 0 40 KJAB COC(=O)c1cccc(NC(=O)CC[C@@H](C)[C@H]2CC[C@@H]3[C@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@@H]4C[C@H](O)[C@@]32C)c1 1889191876 FBWZFXAYMSCOOH-ZELDAEPSSA-N 541.729 4.789 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)c2c(C(=O)Nc3ccccc3)sc3nc(C)cc(=O)n23)cc1 1907051 KKRQXXGIABYWHY-UHFFFAOYSA-N 504.568 4.526 0 40 KJAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)N[C@@H](CSCc3ccccc3)C(=O)O)ccc12 2123251 DSMDLKVMIKARRM-VWLOTQADSA-N 531.630 4.882 0 40 KJAB biogenic CCOc1c(Br)cc(C2C(C(=O)OC)=CN(Cc3ccc(F)cc3)C=C2C(=O)OC)cc1OC 2805637 FOFBLFWFQXZILI-UHFFFAOYSA-N 534.378 4.709 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)cc1C 3218071 YOSQUBIEDOUOGH-UHFFFAOYSA-N 502.011 4.859 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)[C@@H](C(=O)NC(C)(C)C)c2cccs2)cc1 6074687 JEXKRSNHGWUZAA-XMMPIXPASA-N 553.088 4.748 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@@H](C(=O)NC(C)(C)C)c3cccs3)n2)cc1OC 6074699 QSNAZNWAWFBWQS-RUZDIDTESA-N 583.114 4.757 0 40 KJAB O=c1oc2c(I)cc(I)cc2cc1-c1nc2ccccc2[nH]1 6446918 ISMRXXLDADHTLA-UHFFFAOYSA-N 514.060 4.546 0 40 KJAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CO/N=C1\C=C2CC[C@@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 8762142 SEORXHZLSXQMQN-ZNHJYWNGSA-N 522.686 4.583 0 40 KJAB biogenic CCOC(=O)c1ccccc1NC(=O)CSc1nc2c(oc3ccccc32)c(=O)n1Cc1ccco1 9319212 ODODJXIBUIDAGJ-UHFFFAOYSA-N 503.536 4.692 0 40 KJAB CC(C)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)cc1 12482549 ZZKKKDDCQIYGNH-AJTFRIOCSA-N 517.655 4.686 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(C)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCCO2 13024793 QOLMIZNJTLACDN-MUUNZHRXSA-N 527.625 4.590 0 40 KJAB CSCC[C@H](C(=O)Nc1ccc(C(C)=O)cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 13857867 HAENGIQPIGXXIV-SMJVQMQXSA-N 524.642 4.842 0 40 KJAB COc1ccccc1N1CCN([C@@H](c2cc3cc(C)c(C)cc3[nH]c2=O)c2nnnn2C2CCCCC2)CC1 19940775 USADXEYUUISEGZ-NDEPHWFRSA-N 527.673 4.557 0 40 KJAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 20005424 FWRQPZKDYRCCRM-HXUWFJFHSA-N 509.411 4.539 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)NCCSc1ccccc1)S(=O)(=O)c1ccc(C)cc1 20236194 BPRIEBIBWQSGIA-UHFFFAOYSA-N 505.061 4.761 0 40 KJAB CCOc1ccc([C@H](C)NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)cc1 30862137 WHDPRHFPAGEVIR-BXKMTCNYSA-N 501.004 4.572 0 40 KJAB CCOC(=O)c1sc(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@H]4[C@H](C[C@H](O)[C@@]32C)[C@@]2(C)CC[C@@H](O)C[C@H]2C[C@H]4O)nc1C 72326237 IWZLTRMMIRXTPE-OONSKFEJSA-N 576.800 4.944 0 40 KJAB biogenic CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(CCCCCC(=O)NCc2ccccc2Cl)c(=O)c2sccc21 97986781 CHWDZJBTGRAMTB-UHFFFAOYSA-N 581.138 4.804 0 40 KJAB Cc1ccc2[nH]c(-c3cc4cc(I)cc(I)c4oc3=O)nc2c1 100165070 IBHNNRBNZBGUCX-UHFFFAOYSA-N 528.087 4.854 0 40 KJAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(c6ccc(Cl)cc6)C(=O)[C@H]45)[C@@H]32)cc1OC 100843568 UPYYFINRDNCBPX-NDZSSZNTSA-N 555.077 4.785 0 40 KJAB Cc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4cccc5c(Br)cccc45)cc3)nn12 105304523 FRAXHFBAKGCBSO-UHFFFAOYSA-N 537.468 4.881 0 40 KJAB COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)Nc3ccc(Br)cc3C(C)C)n2C)cc1OC 106065035 AAMAQEOUZOKIPR-YRNVUSSQSA-N 588.528 4.779 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 222575559 FBWAVRQVXPEFML-XMMPIXPASA-N 530.090 4.591 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 222752661 KWXXCYUVRDGVFS-HXUWFJFHSA-N 622.571 4.986 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 222841863 RKKJNRXKWRQRJN-HKBQPEDESA-N 585.726 4.585 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 222933063 CIXOFGKGLLGPCT-VWLOTQADSA-N 542.101 4.706 0 40 KJAB 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CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 224037274 NXVVXPFZXJUTDF-GDLZYMKVSA-N 565.736 4.657 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 224103678 IWVAUELPQNOFEY-SANMLTNESA-N 586.552 4.896 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1 224192484 LBOVQJCZKIYIGY-VWLOTQADSA-N 565.736 4.530 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 224226867 SZUYCGPFJDZRFF-HSZRJFAPSA-N 586.154 4.875 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 224229833 MNUZKIGWCMKDAV-SANMLTNESA-N 542.101 4.787 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 224321628 JCGITEWILSNFIR-AREMUKBSSA-N 602.153 4.804 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 224338450 FLLAOWDGIPPMSN-VWLOTQADSA-N 534.122 4.589 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 224391475 HACTXQRTIKXDNY-MUUNZHRXSA-N 609.720 4.658 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 224425735 SNWSDYKTXRLAQA-HHHXNRCGSA-N 600.579 4.690 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 224654318 GDRKWFMWSHVTPW-SANMLTNESA-N 529.747 4.738 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 224744181 JRWFSHIJKQQXNE-HHHXNRCGSA-N 599.725 4.618 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)cc1OC 224823504 SOEJBMWMMXJFQI-QHCPKHFHSA-N 611.736 4.904 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 224854245 ZWQJIZRDKLRQRM-XMMPIXPASA-N 553.700 4.890 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 225013071 MWFYOJTXXOTOGK-NRFANRHFSA-N 591.652 4.853 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 225137865 OSXRSPSDORDOJH-HHHXNRCGSA-N 565.736 4.841 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 225226746 HLLCGDANUVOJNP-FTJBHMTQSA-N 528.590 4.802 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 225297281 VEYUWHIVWNGARR-PMERELPUSA-N 563.764 4.934 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 225316597 ILTXEYAARCVAJD-QFIPXVFZSA-N 542.529 4.710 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 225374909 OZBPULRWUYQFKQ-LJAQVGFWSA-N 625.788 4.858 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2cccc3cccc1c23 225416951 KUPOAKFTTUWJNM-VWLOTQADSA-N 501.627 4.922 0 40 KJAB O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 225551535 SRBPWAITTCDQRA-NRFANRHFSA-N 517.022 4.775 0 40 KJAB COc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc1 225781663 WZZIOQQUAQGONM-INIZCTEOSA-N 519.044 4.519 0 40 KJAB CC1=NS(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)N(S(=O)(=O)c3ccc(Cl)cc3)CC4)ccc2N1CC(C)C 225867409 GXKDGLRUSAUYHY-UHFFFAOYSA-N 587.123 4.927 0 40 KJAB COc1cccc(OC)c1CNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 226032576 GAJIZGOPBJBBMJ-UHFFFAOYSA-N 537.465 4.560 0 40 KJAB COc1ccc(-c2nn(-c3ccccc3)cc2C=c2sc3nc(-c4cccc(C)c4)nn3c2=O)cc1F 254315630 BLPFKMZSIOWWAP-UHFFFAOYSA-N 509.566 4.675 0 40 KJAB COc1ccccc1-c1nc2sc(=Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2n1 254349343 MMWIRYHLHBOLCP-UHFFFAOYSA-N 511.994 4.880 0 40 KJAB O=C(C[C@@]1(COc2cccc(Cl)c2)CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CCO1)N1CCCCC1 257210317 BUBRYYMYIVSOCK-DEOSSOPVSA-N 561.915 4.888 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](CC)C(=O)NC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 260708024 ZXNVLJWABUTQCF-GDLZYMKVSA-N 599.725 4.760 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(Cl)cc1 260857375 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521.639 4.871 0 40 KJAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 408596388 UTEDMRHIMLDYNO-UHFFFAOYSA-N 560.038 4.507 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)cc4F)o3)c(=O)n2[C@H]1c1ccccc1Cl 408600328 BOGCAQUFHUIIGH-MFUBYVTQSA-N 540.975 4.990 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)N1CCCCC1)S(=O)(=O)c1ccccc1 408609698 PXZHYFCDDGOVDQ-UHFFFAOYSA-N 542.057 4.809 0 40 KJAB Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408660328 PRKCMNJVJALZFV-JCRDHMOISA-N 505.401 4.915 0 40 KJAB CCOc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H](c6ccccc6)[C@@H](C5)[C@H]4C3=O)c2)cc1 408676783 ADSLNMFAIVDSSU-GXOSLODCSA-N 538.600 4.810 0 40 KJAB COc1ccccc1N1C(=O)c2ccc(C(=O)N3[C@@H](C(=O)c4ccccc4)[C@H]3c3ccccc3)cc2C1=O 408682642 KZRVTQBFGQTDII-OMKZWDOSSA-N 502.526 4.944 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408733406 IGACHMYXGLMTGH-VVOOWDFBSA-N 540.428 4.760 0 40 KJAB 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COc1ccc(Cl)cc1N(CC(=O)NCCCc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 10110675 YEWIZKYPDSKVFO-UHFFFAOYSA-N 501.048 4.910 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2C)cc1 13681121 MXSXBCXRFZBKSY-UHFFFAOYSA-N 527.668 4.531 0 40 KJAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(-n3nc(SC)sc3=S)cc2)ccc1C 14358545 MBBIYTPRONVGBC-UHFFFAOYSA-N 508.716 4.976 0 40 KJAB CCCCc1ccc(NC(=O)[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C(C)C)cc1 15987331 XUWXDTHCSDOMNL-AREMUKBSSA-N 513.704 4.518 0 40 KJAB CC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)c1ccc(CN2CCOCC2)o1 19825771 ZKZNRQYBTJNFGN-SANMLTNESA-N 507.606 4.549 0 40 KJAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2cc(OCC)cc(OCC)c2)cc1 22831789 FJYRQFCEDMSSCB-UHFFFAOYSA-N 507.612 4.777 0 40 KJAB COc1ccc([C@H](CNC(=O)[C@H](CCSC)NC(=O)c2ccccc2Cl)N2CCCCC2)cc1 32969127 PRMCCKSXJPSNDZ-ZEQRLZLVSA-N 504.096 4.544 0 40 KJAB COc1cc(-c2cc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3C)c3ccccc3n2)cc(OC)c1OC 38145696 LTWJMQDMVFVNEK-UHFFFAOYSA-N 577.659 4.509 0 40 KJAB 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587.689 4.892 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223347748 LTPMNDOBPUAQAZ-ABYGYWHVSA-N 607.773 4.825 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 223413380 NUMRXIOWOSWPQX-RUZDIDTESA-N 569.699 4.752 0 40 KJAB COc1ccc(N(CC(=O)NCCOc2cccc3ccccc23)S(=O)(=O)c2ccc(C)cc2)cc1 223516153 MBCOBLFFZMMCSE-UHFFFAOYSA-N 504.608 4.547 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223653539 BLWOFSGBRNEGER-HHHXNRCGSA-N 629.751 4.769 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 223731640 LLKGEXIYFJLENX-IBGZPJMESA-N 548.492 4.742 0 40 KJAB CC[C@H](C(=O)Nc1nnc(SCc2ccccc2)s1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 223760101 WSGMCQFWTCURPM-GOSISDBHSA-N 511.094 4.976 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223923814 OQQARFUKBNPHMO-QFIPXVFZSA-N 546.492 4.622 0 40 KJAB COC(=O)c1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N2CCOCC2)cc1 223956567 PALSTTOAHQANGF-IZLXSDGUSA-N 539.661 4.673 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224246650 WFWWHBZXQLZNIB-NDEPHWFRSA-N 611.761 4.550 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 224271870 DDWFOAVPCNCBQW-SANMLTNESA-N 542.101 4.787 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 224628195 XYKVWVHVOWQZRL-QFIPXVFZSA-N 572.127 4.794 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 225292403 GNMUHAVFJVSNKX-RBUKOAKNSA-N 542.529 4.708 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 225343143 ZHZNPRCFFRJAHB-QFIPXVFZSA-N 542.529 4.710 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 225376938 TZWSZIVXNFSNPG-PMERELPUSA-N 595.737 4.689 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 225380351 KURVACSMRBRRFA-MHZLTWQESA-N 616.180 4.680 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225380666 QUNJHSMKTFDGRA-QHCPKHFHSA-N 572.555 4.882 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 225403612 PFHDGYUMFCHVMY-AREMUKBSSA-N 662.205 4.903 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 225412392 YAPUZOXJTPGLBG-MUUNZHRXSA-N 616.180 4.680 0 40 KJAB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)ccc1NS(C)(=O)=O 225432665 YGGZNJNDPOQPRY-LOSJGSFVSA-N 525.700 4.946 0 40 KJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)cc1NS(C)(=O)=O 225486445 PJLDLQCTNPTOHK-JWQCQUIFSA-N 537.642 4.569 0 40 KJAB Cc1cc(C(=O)O)ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)o1 225516620 PYJWLHOAHCWZSD-IZZNHLLZSA-N 512.591 4.959 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 225646099 PLFNQBPCIHXHCV-RBISFHTESA-N 569.699 4.752 0 40 KJAB CCOc1ccc(CNC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)cc1OCC 225790049 XQGKHBZLMHBWHU-UHFFFAOYSA-N 510.656 4.997 0 40 KJAB Cc1cccc(CN(CC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)S(=O)(=O)c2ccc(Cl)cc2)c1 226019289 ASMIEYLQGFLCTL-HKBQPEDESA-N 618.155 4.992 0 40 KJAB COc1ccc(/C=C/c2nc3sc(=Cc4cn(-c5ccccc5)nc4-c4ccc(F)cc4)c(=O)n3n2)cc1OC 254566147 GPHQMFJNNUUELM-GHCBWACXSA-N 551.603 4.878 0 40 KJAB CN1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CCCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)C2)CC1 257281125 ONSZBZRFDXCNFS-VWLOTQADSA-N 574.958 4.661 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC)S(=O)(=O)c2ccc(SC)cc2)cc1 260759112 NPUDPOPKNYHMID-HXUWFJFHSA-N 634.618 4.928 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1 260902133 OKZPUNCDODEFNI-XMMPIXPASA-N 583.726 4.918 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1 260958176 KUSIJZFYXVFAMR-HSZRJFAPSA-N 551.709 4.885 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc(F)c(F)c1 260964541 HTSAMHZPCDKAIA-MUUNZHRXSA-N 587.664 4.569 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 260993655 QLKTVBMOEKXMFN-OZXSUGGESA-N 545.746 4.580 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 261032988 XMXIFAQDCOIIFI-RTWAWAEBSA-N 618.127 4.778 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1I 408545710 MUQLSYJJLYKLCO-UHFFFAOYSA-N 592.864 4.863 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(OC)c(Cl)cc2OC)c2ccccc2)cc1 408616937 DEYFUMPJFBSMSF-UHFFFAOYSA-N 504.992 4.590 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c2ccc(C)cc2)cc1Br 408620598 PQKYPVGYCAYKRS-NRFANRHFSA-N 616.534 4.509 0 40 KJAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3)CC2)cc1 408682591 ZRWKXHMMLQCFEP-UHFFFAOYSA-N 580.153 4.902 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1C(=O)N1CCCCCC1 408693551 ZQJOSPFUJBQXAS-UHFFFAOYSA-N 557.694 4.621 0 40 KJAB COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 408728397 LFOQPDQVQYROOH-ITYMFSOSSA-N 567.233 4.883 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)ccc4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408832785 JEHOLFJKDLSQNS-YNMQQHPQSA-N 542.657 4.747 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409115203 KJCOUMQGRSLMKA-VHBBHFJJSA-N 620.912 4.674 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)c2cc(C)ccc2C)cc1 409121502 XLWOPFBLDKCGBJ-UHFFFAOYSA-N 531.634 4.969 0 40 KJAB COc1ccccc1N1CCN(C(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)CC1 409207518 VTMIEZZHTYAUKZ-UHFFFAOYSA-N 592.943 4.651 0 40 KJAB COc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)ccc1OCC(=O)Nc1ccc(Br)cc1C 409256744 PLHJPNVODDMYSK-HZPDHXFCSA-N 507.450 4.568 0 40 KJAB COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(Br)c(Sc5nccc(C)n5)o4)c(=O)n32)c1 409276891 XRCHDYFQRNUHSQ-QCHPHUCNSA-N 641.569 4.801 0 40 KJAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)C2=O)o1 409384925 GLQLYFWMDQYBML-WSDLNYQXSA-N 523.519 4.589 0 40 KJAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OCc1ccc(Br)cc1 409400813 ULVLDYJEHCBEBE-NDENLUEZSA-N 555.381 4.899 0 40 KJAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)o1 905942 YSFXFJHLBOIPOT-MHZLTWQESA-N 503.578 4.691 0 40 KJAB COc1ccccc1NC(=O)CSc1nnc(CNc2ccc(C)c(Cl)c2)n1C[C@H]1CCCO1 915559 HDGABDMVVUTMFW-GOSISDBHSA-N 502.040 4.770 0 40 KJAB COc1ccc(Br)cc1C(=O)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 1312005 IGVOSERIYRMXPK-UHFFFAOYSA-N 500.418 4.734 0 40 KJAB CCC(C)(C)n1nnnc1[C@H](C(C)C)N(Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1334403 DBMCZKHNPYNSGW-MHZLTWQESA-N 546.672 4.839 0 40 KJAB CCc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)cc1 1372640 VLNVFQNUIVLJLH-PMERELPUSA-N 539.636 4.551 0 40 KJAB CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 1374917 GMXACRQBHGJWIC-JOCHJYFZSA-N 548.644 4.559 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc3c(c2)OCO3)c2cccs2)cc1 1412466 PCGUGPPQKKMKRJ-MUUNZHRXSA-N 555.616 4.639 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C\c3ccc(Br)cc3)c2=O)=N1 1813565 FFXZLVOUXUCYSW-FCKOQQNDSA-N 548.437 4.776 0 40 KJAB CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cs1 2656134 BZWFNGWZEFRDRJ-UHFFFAOYSA-N 528.439 4.742 0 40 KJAB COc1ccc(CNC(=O)C[C@@H]2c3nc(NC(=O)c4cccs4)sc3C[C@H]3[C@@]2(C)CC[C@@H](O)[C@@]3(C)CO)cc1 4222161 ZCQIRBMDXFFRTG-HVBWHJFDSA-N 569.749 4.588 0 40 KJAB biogenic,in-vitro COc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(C(C)C)cc4)nnn3c3ccccc23)cc1OC 9673583 QAEHDUPGCRLHAN-UHFFFAOYSA-N 503.584 4.995 0 40 KJAB COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 9955853 MSTVJMCHIDCSNY-MRXNPFEDSA-N 500.001 4.823 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)c(OC)c1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 13024130 HVYSLMGDIBYTDV-MUUNZHRXSA-N 529.641 4.523 0 40 KJAB CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 13064516 ZKQDIGLMEPMICQ-XMMPIXPASA-N 520.609 4.615 0 40 KJAB Cc1cccc(CSCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)c1 13680315 SLHZIJNCIULIMX-UHFFFAOYSA-N 515.528 4.893 0 40 KJAB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OC(C)C 15231363 OTWANJUNNDVUMD-LZYBPNLTSA-N 507.381 4.605 0 40 KJAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 20005438 RXGXVGMNFPKWIO-FQEVSTJZSA-N 509.411 4.539 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(Br)cc3)cc2)cc1 20019829 CGQDYOGTPYOBOR-KRWDZBQOSA-N 503.418 4.815 0 40 KJAB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)COc3ccc(C)cc3C)cc2)CC1 21579969 AJCBNCIXKQDOQU-UHFFFAOYSA-N 508.018 4.945 0 40 KJAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3O2)cc1 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COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(OCc3ccc(F)cc3)c(OC)c2)c1 98043504 VGZKZNHILRVRGG-HHHXNRCGSA-N 545.571 4.950 0 40 KJAB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1OC(F)F 98046209 CSXNKWBZPZCUSC-YJADQXIJSA-N 553.612 4.545 0 40 KJAB CC1CCN(CCCNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)CC1 100073436 MVCGWAWZRVBIKD-UHFFFAOYSA-N 532.028 4.792 0 40 KJAB COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2)c1OC 100363887 YCPYIGGBZCMQLC-GDLZYMKVSA-N 541.652 4.980 0 40 KJAB O=S(=O)(N[C@H]1c2cccc3cccc(c23)[C@H]1N1CCN(C(=S)Nc2ccccc2)CC1)c1ccccc1 100826603 KKHYPVVPTANLBR-WUFINQPMSA-N 528.703 4.929 0 40 KJAB Cc1cc(Br)c(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(Br)c1 103138943 ZVXGWLVBJKEMNA-UHFFFAOYSA-N 557.242 4.954 0 40 KJAB CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 103141595 UIXFCEQNLCPCIQ-UHFFFAOYSA-N 528.059 4.569 0 40 KJAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)N[C@@]4(C(=O)Nc5c(C)cc(Cl)cc54)[C@H]3C2=O)cc1 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CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 222769354 AQFFFECVXRJOLZ-NRFANRHFSA-N 593.371 4.854 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 222924794 SSOJLCUYZYANNW-NDEPHWFRSA-N 586.154 4.918 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 223125802 SNIYHDLDERQCIB-GDLZYMKVSA-N 549.737 4.626 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 223164813 ATARMWZWTFKLBN-MRXNPFEDSA-N 548.920 4.746 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 223342819 BQNGLHQKBXDLPL-AREMUKBSSA-N 620.997 4.953 0 40 KJAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1C(C)C 223346879 IEMGROBGQKEJJK-CJAUYULYSA-N 502.677 4.829 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 223361239 GYAFMXQBPBEJLI-NEKDWFFYSA-N 570.155 4.824 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 223370933 XNCVWKUARPUPNB-IBGZPJMESA-N 572.555 4.882 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223672985 ZYODGCRPCKJKJC-QHCPKHFHSA-N 541.636 4.504 0 40 KJAB CC(C)c1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 223821300 GVSJPVLIKLIVLQ-FQEVSTJZSA-N 534.122 4.706 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223934233 VRDYNGNZVRZASP-HSZRJFAPSA-N 542.529 4.646 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 223936216 FNKLWIWJSZBFEK-QFIPXVFZSA-N 586.552 4.896 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 224598568 HFPBMJQFSUNBIH-MUUNZHRXSA-N 557.757 4.724 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 224684845 QBEONXQZQQMMKV-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1 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CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 225685774 JPGZYKACSGFLOG-HTAPYJJXSA-N 586.538 4.600 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 225709615 REOWAXSRSMHHTC-MHZLTWQESA-N 535.710 4.831 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NCC(C)C)c2ccccc2)cc1OC 225719545 HMESCMOYEFHUFK-QFIPXVFZSA-N 646.604 4.851 0 40 KJAB Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)cc1 225805737 OKXOEYDJWJUQPG-QGZVFWFLSA-N 503.045 4.819 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 261059242 NMUHZUABMYZMRM-MSOLQXFVSA-N 572.953 4.509 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 261119210 YXUUWOFAFXUNDJ-CUBQBAPOSA-N 567.727 4.763 0 40 KJAB COc1cc(CN(C(C)=O)c2ccc(N3CCOCC3)c(C(=O)O)c2)ccc1OCc1ccc(C)cc1 408563449 AKJSVGZUTQOHLR-UHFFFAOYSA-N 504.583 4.671 0 40 KJAB COc1ccc(N(CC(=O)NC23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408620059 MRVATFAKUJOCGE-UHFFFAOYSA-N 503.064 4.937 0 40 KJAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1Cl)Nc1ccc(F)c(Cl)c1 408635576 FEQKKONUSYFWPV-UHFFFAOYSA-N 509.386 4.897 0 40 KJAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](c5ccccc5)CC[C@H]4C3=O)cc2)c1 408690782 WQWCNYGDGPLCQB-MVNQZMKCSA-N 524.573 4.758 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408825672 FKGBTERELCHYCI-FCVOFCDTSA-N 693.572 4.855 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)cc(OC)c4O)c(=O)n32)cc1 408853275 MUNASMWAMMDFLS-RISWYLRJSA-N 620.525 4.749 0 40 KJAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(F)cc3)c(OCC)c2)C1=O 409017989 GWVOORAYEYGTES-PVGUKEHMSA-N 595.443 4.992 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(C)c(OC)c3)c2=O)=N1 409049284 QCXZRYAROIRQEG-AQIZGWBQSA-N 541.069 4.558 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc(F)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409096392 KFPFJTQFWMJBBQ-NBQDTTAVSA-N 615.727 4.839 0 40 KJAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1 409099775 UBVJNAVYBQURHQ-BUVRLJJBSA-N 549.580 4.917 0 40 KJAB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccccc4OC(F)F)c(=O)n32)cc1 409154386 NYVGRCPBJMWTMW-WLJFKGHSSA-N 530.618 4.510 0 40 KJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(O)c(I)c3)C2=O)c1C 409258119 TXUYPFGSOUALBI-LZYBPNLTSA-N 634.233 4.893 0 40 KJAB COC(=O)[C@@H]1NC(c2ccc(F)cc2)(c2ccc(F)cc2)[C@H]2C(=O)N(C3CCC(C(C)(C)C)CC3)C(=O)[C@H]21 409286676 ZGUBYCBZQQWVPF-FPMUQLDFSA-N 524.608 4.559 0 40 KJAB CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1[C@H](C)NC(=O)c1ccccc1Cl 409343701 FDCHRLLHCIROBE-INIZCTEOSA-N 530.050 4.738 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1[C@H](C)Oc1ccccc1 409347644 QIYQJCDRCOEASJ-AWEZNQCLSA-N 508.385 4.773 0 40 KJAB Cn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc2ccccc2c1 409360589 QKEKHTIXDWREPT-UHFFFAOYSA-N 500.411 4.936 0 40 KJAB O=C(O)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1CC1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1 585269193 LCNXGGLXTFYLMX-UHFFFAOYSA-N 570.662 4.556 0 40 KJAB CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c([C@H]2COc3ccccc3O2)n1 604406082 ZYVFTVFIZKEGCD-MMARMILWSA-N 698.777 4.959 0 40 KJAB biogenic COc1ccc(CCNC(=S)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C2CCCCC2)cc1OC 891169 QEMUTYOZHFMAEW-UHFFFAOYSA-N 537.682 4.568 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(Cl)cc(Cl)c3O)c2=O)=N1 2086222 GLGODNVPKDMUGL-VZIOXZNFSA-N 536.440 4.886 0 40 KJAB COc1cccc(COc2ccc3c(C)c(CC(=O)N4CC[C@]5(O)CCCC[C@@H]5C4)c(=O)oc3c2C)c1 2108960 BSCVQOHXMYYUIK-YKGWIAGDSA-N 505.611 4.694 0 40 KJAB biogenic CCc1ccc(Nc2nnc(SCC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)s2)cc1 3309539 BVWMZOWLVJSAIE-UHFFFAOYSA-N 502.687 4.994 0 40 KJAB COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C(C)C)cc2)cc1 6190821 VWMDZDHLVIQVHI-SANMLTNESA-N 557.676 4.661 0 40 KJAB CCOC(=O)C1=C(Nc2ccc(Br)cc2)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccccc1 9761189 RJEOTYAVVAKHEY-JLRUASKGSA-N 502.405 4.796 0 40 KJAB CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccc(OC)cc1OC 9856016 GWCHKMUQJPPSMZ-UHFFFAOYSA-N 514.578 4.850 0 40 KJAB CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2-c2ccc(Br)cc2)s1 11852213 JWKLUKSPPLLDQF-UHFFFAOYSA-N 608.544 4.793 0 40 KJAB Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc(-c3ccccc3F)n2)c2ccc(Cl)cc2)o1 12478487 OEWHMCUXHRYLTH-HSZRJFAPSA-N 524.984 4.723 0 40 KJAB CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1 12528774 FMELIBYHIYNEDD-DEOSSOPVSA-N 502.489 4.604 0 40 KJAB COc1ccc(OC)c(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)c1 13026426 GBNOMJJDUXFAOF-SANMLTNESA-N 508.571 4.761 0 40 KJAB C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 13609991 GXKBESJCWFNWGM-LJQANCHMSA-N 504.533 4.772 0 40 KJAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 15880239 MCZWPXVLJTZXNA-QFIPXVFZSA-N 524.712 4.907 0 40 KJAB CC(C)C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)N1CCN(c2ccccc2)CC1 16035429 NVBKEDZFHVQPHU-HHHXNRCGSA-N 509.654 4.902 0 40 KJAB COc1cccc2cc(-c3csc(NC(=O)C4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)n3)oc12 17043796 DUFGKRGHKQADLP-UHFFFAOYSA-N 511.625 4.913 0 40 KJAB CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(OCC)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OC 18165964 YRKQSZPBURBSRY-VJGNERBWSA-N 502.567 4.934 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1ccc(CN2CCOCC2)o1)C1CCCC1 19332338 NHWFPQOEMJZDRE-MHZLTWQESA-N 511.638 4.826 0 40 KJAB Cc1cccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N(Cc3ccc(F)cc3)Cc3ccco3)c(=O)[nH]c12 20083052 CWAZEKMEYPCMIR-IGKIAQTJSA-N 528.588 4.526 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1C 22268439 NTFFKMIBDVCUHU-QFIPXVFZSA-N 506.546 4.941 0 40 KJAB CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NCCc5ccc(O)cc5)CC[C@@]4(C)[C@@H]3CC[C@@]21C 35805199 MXTMUXIRRMPEBU-JVEQCXONSA-N 522.686 4.706 0 40 KJAB O=C(NCCSc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 59852904 YZJFVNCPMPWTFI-UHFFFAOYSA-N 531.925 4.553 0 40 KJAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@@H](N3CCOCC3)C[C@@H](c3ccc(C(F)(F)F)cc3)N12 67879265 POZAFLGXKAOMTI-IODBPXAYSA-N 513.560 4.863 0 40 KJAB biogenic,in-vitro Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccc(C(C)(C)C)cc3)n2-c2ccc(F)cc2)s1 97957462 ROSZOJNNFJVJEP-UHFFFAOYSA-N 539.662 4.525 0 40 KJAB O=C(COc1ccc(Br)cc1)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 100366566 ZAHGKGSTBIQZKR-UHFFFAOYSA-N 539.499 4.663 0 40 KJAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc(Cl)cc4)N4c5ccccc5C=C[C@@H]4[C@@H]3C2=O)cc1 101592350 BJMFRNXDNKATSX-ZJSPYRCASA-N 512.949 4.538 0 40 KJAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)NCCCCCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 103520500 AFULRSYXYZZCLS-OOXUFLSTSA-N 574.718 4.901 0 40 KJAB biogenic CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1Br 105315917 ABOYCFQNLRFFSW-UHFFFAOYSA-N 567.509 4.937 0 40 KJAB CCC(=O)NC(=S)Nc1ccc(NC(=O)COc2c(C)cc(Br)cc2Br)cc1 109509833 JNQCUJRRINHEIK-UHFFFAOYSA-N 529.254 4.761 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(Br)c(OCC)c(OC)c3)c2=O)=N1 164179740 MZGUDBUQXAEVNA-RISWYLRJSA-N 645.572 4.766 0 40 KJAB COc1ccc(Cl)cc1NC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccc2c(c1)OCO2 206593558 WLYIQTBDFGWUGC-UHFFFAOYSA-N 516.000 4.628 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 222469998 PWNUOKLOKFKTPW-GDLZYMKVSA-N 565.736 4.839 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 222626401 OFCMWLCEQLOWSO-MUUNZHRXSA-N 614.606 4.998 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 222997240 UUFAMDSOFBZQIB-HNNXBMFYSA-N 548.920 4.745 0 40 KJAB CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 223236395 DTPWAFAEGKEIPS-WJOKGBTCSA-N 593.790 4.873 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 223297297 ORAQMTUAVPMDOM-HHHXNRCGSA-N 593.746 4.684 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223307888 KDNDCIOLQSBEBS-XMMPIXPASA-N 668.596 4.777 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 223430846 BYFLBLNNOOYPNM-AREMUKBSSA-N 557.663 4.882 0 40 KJAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 223526106 DOJSZGLRNYXIOQ-RUZDIDTESA-N 565.736 4.575 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 223657928 YIEJSVVCVRBMEZ-QHCPKHFHSA-N 583.776 4.864 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccccc1 223687602 ZAHCSHWBEVRPIQ-NRFANRHFSA-N 542.101 4.651 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2C(C)C)c2ccc(C)cc2)cc1OC 223759267 KRKQIHUUWWCWEC-UHFFFAOYSA-N 526.655 4.526 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223774117 XXWWUAIYOAKOJJ-GDLZYMKVSA-N 600.181 4.979 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 223914318 HVBALPBDFYLMOQ-MRXNPFEDSA-N 560.931 4.889 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 224126088 NCVHLZORSAZKSK-HHHXNRCGSA-N 556.128 4.581 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 224168942 WRRRJGQYYFGQBJ-MUUNZHRXSA-N 570.155 4.889 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 224212851 LIKQIYXWNQXBSN-HHHXNRCGSA-N 556.128 4.581 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 224285521 UWFRUELXLPETPZ-SANMLTNESA-N 558.100 4.842 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 224468323 UGGGVDCDAPWDPV-QFIPXVFZSA-N 663.578 4.685 0 40 KJAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 224571589 SCOHAVVOYVCOCG-UHFFFAOYSA-N 565.746 4.589 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 224636996 IABQKUSISNPKQB-NDEPHWFRSA-N 541.758 4.758 0 40 KJAB O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1cccc(CN2CCCCC2)c1 224666062 VASHMUPUTPVEGD-UHFFFAOYSA-N 530.065 4.977 0 40 KJAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 224736542 ORMCBGGZJKEFLH-UHFFFAOYSA-N 502.980 4.832 0 40 KJAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 224741895 OEEYFGRRXMLTOB-QGZVFWFLSA-N 522.545 4.795 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 224805338 KNSMMOLPWAEHAK-LJAQVGFWSA-N 583.701 4.738 0 40 KJAB COc1ccccc1OCCNC(=O)c1ccc(CN(c2ccc(Br)c(Cl)c2)S(C)(=O)=O)cc1 224870686 LTXGYVWNDRFNSB-UHFFFAOYSA-N 567.889 4.886 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 225063600 ZHOLHNXRJQZFSE-DNQXCXABSA-N 553.700 4.970 0 40 KJAB CCn1c(=O)sc2cc(NC(=O)CCCN(c3cc(Cl)ccc3Cl)S(C)(=O)=O)ccc21 225098487 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225277372 BCRDKMVTYYUQLO-RRPNLBNLSA-N 513.623 4.648 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC)S(=O)(=O)c1ccc(Cl)cc1 225395108 IEJNNBIJFIPCDN-IBGZPJMESA-N 578.518 4.751 0 40 KJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1NS(C)(=O)=O 225485478 STIMBZUGNMKDNZ-LOSJGSFVSA-N 525.700 4.946 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 225525775 PQEWCOYYCBSFEI-HHHXNRCGSA-N 618.569 4.911 0 40 KJAB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C(=O)O)cc1)Nc1ccccc1 225534528 KOLMWLGVKNYNNC-IZZNHLLZSA-N 511.607 4.572 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 225579543 YTJHAWZWMYLEJS-QHCPKHFHSA-N 553.700 4.834 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225725214 SBZCSWXJUNNLDN-LJQANCHMSA-N 586.980 4.838 0 40 KJAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)c4ccc5c(c4)S(=O)(=O)N=C(C)N5CC(C)C)cc32)cc1 225867387 AWEAEOXDSKNUOI-UHFFFAOYSA-N 546.649 4.734 0 40 KJAB COc1cccc(S(=O)(=O)N2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCCCC3)C2)c1 257258101 KSKNPEVEUNOZJO-HHHXNRCGSA-N 535.106 4.910 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 260878008 HSOGTBPUWXMCQX-LJQANCHMSA-N 572.555 4.738 0 40 KJAB CCc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)cc1 260893547 LYFPHPGIRXXMRK-AREMUKBSSA-N 563.764 4.985 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 260913778 FXTKTWCBRYZFCR-YKSBVNFPSA-N 522.111 4.608 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 260918143 SMDNTBXKMFZAJV-ZEQRLZLVSA-N 581.735 4.540 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 260955267 KJDHFGIMMLJFHD-YWEHKCAJSA-N 655.814 4.947 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 260979869 NXAAHOLZBVNMEK-MNNSJKJDSA-N 599.725 4.760 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 261050278 LVZBLZDWRNJPOF-DWACAAAGSA-N 586.154 4.669 0 40 KJAB Cc1ccc(-c2csc(NC(=O)CSc3nnc(CN4CCOCC4)n3-c3ccc(Cl)cc3)n2)cc1 408545015 MCMMVCCQOJBNKV-UHFFFAOYSA-N 541.102 4.916 0 40 KJAB O=C(CN1CCC(C(=O)O)(c2ccccc2)CC1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 408549534 ZQIITKISSDTSGS-UHFFFAOYSA-N 517.651 4.936 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1 408587032 AYWWUPKAFOUQCX-UHFFFAOYSA-N 566.482 4.994 0 40 KJAB COc1cc(NC(=O)COc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)c(OC)cc1Cl 408598105 ZVLYWHUIZQYAGY-UHFFFAOYSA-N 504.992 4.792 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2 408619171 MUQVKNCLTACHRM-UHFFFAOYSA-N 542.679 4.955 0 40 KJAB Cc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 408624778 UKFNAZFCTUPOHK-UHFFFAOYSA-N 549.052 4.807 0 40 KJAB Cc1ccc(N(CC(=O)N2CCN(c3cccc(C)c3C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408627481 MTSOKXGNFHWJBQ-UHFFFAOYSA-N 512.075 4.809 0 40 KJAB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccco4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408637770 BCPHJRDGMBZFQV-AGHHOFFYSA-N 548.979 4.814 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(Cl)cc1 408642194 MCWRQDJZIOXWHO-OPZHZCDLSA-N 529.807 4.940 0 40 KJAB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21 408642580 FBEFMTJZZVTSQC-RFVSGWPVSA-N 515.791 4.540 0 40 KJAB CC(C)C[C@H](C(=O)OCC(=O)N[C@H](C)c1ccccc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408686706 NQJXHKZHOVZLMH-VHKOQLKESA-N 550.655 4.714 0 40 KJAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408690278 URMUEVQXCRKRBZ-MTFBUDRBSA-N 594.664 4.652 0 40 KJAB COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)cc1 408748539 DTGOQQSQFOJQJA-UHFFFAOYSA-N 562.673 4.760 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccccc3)c(=O)n2[C@@H]1c1ccc(F)cc1 408800258 LFCMQXWRPLBQIQ-DBXPASCUSA-N 558.631 4.525 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)c(OCC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 408921217 MKFQCTKGCNRDQI-SJXDCSIJSA-N 602.684 4.924 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(-c4ccccc4)[nH]c4c(C)cccc34)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 409003158 YIKKDDSNUBVWBN-WFJXWAAWSA-N 577.662 4.984 0 40 KJAB CCCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC 409063164 HVSRHZKXDYTFSZ-OGRZUZBBSA-N 676.573 4.989 0 40 KJAB CC(=O)Nc1ccc(NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 409083612 VMLQQDJJRGXWFR-UHFFFAOYSA-N 530.444 4.546 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)S(=O)(=O)c2ccccc2)c1 409114751 IKVFBQATQARHKX-UHFFFAOYSA-N 512.075 4.809 0 40 KJAB Cc1ccc(C(C)C)c(OCC(=O)NCc2nnc(SCC(=O)Nc3cccc4ccccc34)n2C)c1 409152158 DNYNIIQEVTTWJM-UHFFFAOYSA-N 517.655 4.826 0 40 KJAB CCOc1ccccc1N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)S(=O)(=O)c1ccc(Cl)cc1 409175445 ZHRAHDKTAXUODM-UHFFFAOYSA-N 548.492 4.936 0 40 KJAB CC[C@@H](C)Oc1c(I)cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC 409236921 IBIYEVMTCUZAEK-SKCQWOFPSA-N 520.367 4.878 0 40 KJAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)C1=O 409246519 CGFMWQORUVJTEH-FYJGNVAPSA-N 554.372 4.707 0 40 KJAB CCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 409320008 OPEHTEREFPZAOL-UHFFFAOYSA-N 533.572 4.988 0 40 KJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cc(I)cc3C)n2C)cc1 409341619 FACGRAOVXVYTJT-UHFFFAOYSA-N 536.439 4.909 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl 409342633 GJKPQGZONNDZJV-CYBMUJFWSA-N 522.856 4.936 0 40 KJAB CN1CCOc2ccccc2CCCCC2(CCN(CC3(O)CCN(c4ccccc4F)CC3)CC2)C1=O 643568965 WHKFNEOVVADQKL-UHFFFAOYSA-N 523.693 4.503 0 40 KJAB COc1ccc(CN2CCC(O)(COc3cc(C)ccc3Cl)CC2)cc1OCCCn1ccnc1 2037928516 BQQXTKCAQSKJFN-UHFFFAOYSA-N 500.039 4.729 0 40 KJAB COc1ccccc1CCC(=O)N1Cc2ccccc2N(C(C)=O)CC[C@H]2CC[C@@H](C1)N2Cc1cccnc1 2037942950 RBQQVXQOQYDKNZ-WDYNHAJCSA-N 526.681 4.841 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)c1snc(C(=O)NC2CCCCC2)c1N 906610 OUIPATXCLAXTSR-NRFANRHFSA-N 546.137 4.921 0 40 KJAB COc1ccc2cc(CN(Cc3ccccc3)S(=O)(=O)c3ccccc3Br)c(=O)[nH]c2c1 915098 MHYFLLPARLKEIS-UHFFFAOYSA-N 513.413 4.690 0 40 KJAB CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCN(Cc5ccccc5)CC4)CC(=O)N32)cc1OC 1318674 PQGNYQDJJXBURB-ZBWWXOROSA-N 578.713 4.925 0 40 KJAB biogenic COc1ccc(Cn2nnnc2[C@@H](C(C)C)N(Cc2ccccc2)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 1334155 AWWPQZQDBLRTNE-GDLZYMKVSA-N 538.652 4.980 0 40 KJAB CSC[C@H](NC(=O)Cc1c(C)c2cc3c(-c4ccc(Br)cc4)coc3cc2oc1=O)C(=O)O 2128476 WWIHRFCFRMBMIG-IBGZPJMESA-N 530.396 4.752 0 40 KJAB biogenic CCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)ccc12 2148203 YJOGAXGIUQOHAY-VWLOTQADSA-N 519.619 4.858 0 40 KJAB biogenic COc1ccc(OC)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)cc2)c1 2272566 PBHBDGBULFUYPA-UHFFFAOYSA-N 515.389 4.954 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2-c2ccccc2)c1 3264909 HWDKHEMRINEOQS-UHFFFAOYSA-N 539.658 4.835 0 40 KJAB O=S(=O)(Nc1cccc(O)c1)c1ccc2oc3ccc(S(=O)(=O)Nc4cccc(O)c4)cc3c2c1 3640355 YCCPLBUJZHPUIB-UHFFFAOYSA-N 510.549 4.599 0 40 KJAB O=C(CCS(=O)(=O)c1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1)Nc1ccc(OC(F)(F)F)cc1 3655025 VQNVEJZJMHUZLA-UHFFFAOYSA-N 563.432 4.592 0 40 KJAB CCOc1ccc(CN(Cc2ccccc2)[C@@H](c2cc3cc(C)ccc3[nH]c2=O)c2nnnn2CCOC)cc1 6196268 MSAZONSYANZQTK-LJAQVGFWSA-N 538.652 4.660 0 40 KJAB CCOC(=O)c1ccc(N(C(=O)c2cnccn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(OC)c(OC)c2)cc1 6599836 XTGOVBZGCAPRJL-HHHXNRCGSA-N 546.624 4.508 0 40 KJAB Brc1ccc2c(c1)-c1cc(Br)ccc1OCCOCCOCCOCCOCCO2 8431717 BZECSMURPODRSO-UHFFFAOYSA-N 546.252 4.716 0 40 KJAB CCOC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(Br)cc1 8691491 HWJSXQRKMJTQQU-UWDQQESISA-N 502.405 4.796 0 40 KJAB Cc1ccccc1CN(C(=O)CN1C(=O)C(=O)c2ccccc21)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 8712920 LGLJSZFHMZSHSU-SSEXGKCCSA-N 579.584 4.801 0 40 KJAB 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0 40 KJAB O=C1[C@@H]2[C@H](C(=O)N1c1ccc3c(c1)OCO3)C1(Br)c3ccccc3C2(Br)c2ccccc21 2189916 MTZSAERXYJUZLO-JUJAOGAQSA-N 553.206 4.825 0 40 KJAB CC(=O)c1ccc(NC(=O)Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3c4c(sc32)COC(C)(C)C4)cc1 2381771 SJQVXAZDVYRVFJ-UHFFFAOYSA-N 538.025 4.560 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nnc(S[C@@H](C)C(=O)c2ccc(F)c(F)c2)n1-c1ccccc1 2618855 JITWEHCIUMSJQD-IBGZPJMESA-N 584.670 4.905 0 40 KJAB COC(=O)c1ccccc1NC(=S)N[C@H](NC(=O)c1ccccc1Br)C(Cl)(Cl)Cl 3388326 FBVAXGQOOBSWHR-INIZCTEOSA-N 539.666 4.648 0 40 KJAB C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 3412638 UOAWQWRVSQZGPW-INIZCTEOSA-N 507.999 4.624 0 40 KJAB Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCN(c4cc(Cl)ccc4C)CC3)c(=O)[nH]c2c1 6410130 CSBXKSSTSXMPHG-MUUNZHRXSA-N 540.071 4.745 0 40 KJAB Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc3ncccc3c2)c1 6442198 ISHRENMXHYHDFW-VWLOTQADSA-N 542.665 4.518 0 40 KJAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NCc2ccc(C)cc2)C(=O)[C@]31C 8918090 KGEMOMLPSQONDO-PMERELPUSA-N 508.578 4.655 0 40 KJAB biogenic O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 9499827 ORZJXFWSHDYGJN-LJRPLISKSA-N 502.570 4.763 0 40 KJAB CC(C)=C(/C(=C/CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 9614772 OWVPCZCFSPTKDR-MOHJPFBDSA-N 516.662 4.586 0 40 KJAB CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccccc2F)cc1 12713685 NUXLBMYAKHKOEL-SANMLTNESA-N 503.578 4.658 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(Cl)ccc2OC)cc1C 22268517 XACBPSYTKRPSQV-JOCHJYFZSA-N 503.020 4.584 0 40 KJAB O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 22429898 FCIOREDGMMNGJN-UHFFFAOYSA-N 518.422 4.954 0 40 KJAB Cc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1C 22872726 RNYHEOUSEFPOGD-CPBHLAHYSA-N 589.744 4.807 0 40 KJAB CC(C)(C)c1cc(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)n(-c2ccccc2)n1 32731768 HYJRGMGGMIPWPB-UHFFFAOYSA-N 529.563 4.982 0 40 KJAB CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccccc4F)n(-c4ccc(C)cc4)c(=O)c23)C1 35432061 FWTLCRVZZASJSN-UHFFFAOYSA-N 522.627 4.530 0 40 KJAB Cc1ccc(C)c(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)ccc2Cl)c1 59671416 HYAJTVLLEPMYKA-HKUYNNGSSA-N 532.009 4.689 0 40 KJAB O=C(OCC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1)[C@H]1CC(=O)N(CCc2ccccc2)C1 97980017 LWGNPPRVVJLIOB-PNHZXJLKSA-N 541.604 4.630 0 40 KJAB O=C(NC[C@@H]1CCCO1)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C2CCCCC2)cc1 100337112 XSPFUEFEGHUPNN-JTSJOTPCSA-N 552.679 4.944 0 40 KJAB O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Cl)c1Cl)[C@@H]1CCCN1[C@]21c2ccccc2-n2c1nc1ccccc1c2=O 101500750 GTHDBWXQSJWIKU-PIUHWARJSA-N 543.410 4.533 0 40 KJAB CC1(C)C[C@H](NC(=O)N2CCN(c3ccccc3)CC2)C[C@@](C)(CNC(=O)N2CCN(c3ccccc3)CC2)C1 103767821 DFOPGGAZMWMGDN-XYFQYJLHSA-N 546.760 4.635 0 40 KJAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 108868212 SVNLYOMQMYIGSK-HYFFOGBASA-N 506.521 4.821 0 40 KJAB Nc1nc(OCc2ccccc2)c2ncn([C@@H]3C[C@H](OCc4ccccc4)[C@H](COCc4ccccc4)[C@@H]3O)c2n1 204098778 SYPCZZWUNIHLBU-UMNYJUJISA-N 551.647 4.712 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 222686782 XHPNIFJSJCJKNP-MHZLTWQESA-N 574.118 4.657 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 222688546 FDDKRWJZANDSHL-HXUWFJFHSA-N 562.519 4.969 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C 222696884 TXRRMKOAPXGNCD-NRFANRHFSA-N 536.138 4.835 0 40 KJAB C[C@H](C(=O)NCc1ccccc1Cl)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 222888821 PFXHOPDKJRIFNH-HXUWFJFHSA-N 572.102 4.586 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(SCC(C)C)s2)c2ccccc2)cc1 223259746 WDZHZRSUWXHXPU-UHFFFAOYSA-N 506.675 4.519 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 223324480 PKQQCZMBKAXPRO-LJQANCHMSA-N 572.555 4.882 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 223427232 WOFVZFCVEFSHPY-DEOSSOPVSA-N 551.709 4.533 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 223647342 VWAFXYZSRKONIG-RUZDIDTESA-N 535.710 4.669 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1 223804585 ZNNUUSZJNDYOAM-SFHVURJKSA-N 540.513 4.544 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 223850881 PSOWXOPYNMDNOJ-HXUWFJFHSA-N 576.090 4.627 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2cc(Cl)ccc2Cl)cc1 223863865 YHUVWLOOMTXGLN-KRWDZBQOSA-N 555.505 4.778 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 223899436 MNRKYXGOAJIDCX-QFIPXVFZSA-N 616.578 4.905 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 224129266 HCVXRVFDTUODAM-MUUNZHRXSA-N 549.737 4.544 0 40 KJAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 224197914 JBINQFHPEXANGV-UHFFFAOYSA-N 505.061 4.691 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224320766 FWSWZWBCTLQDKD-XMMPIXPASA-N 552.112 4.892 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 224401861 LZJZZYFMUQQKAT-SANMLTNESA-N 618.569 4.909 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 224459512 KQZXXAACQHMMBF-QFIPXVFZSA-N 602.153 4.742 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 224516337 RKHDYFDBSYKOBD-HSZRJFAPSA-N 598.549 4.744 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 224568921 CJXDQQFSAGVARN-DEOSSOPVSA-N 602.540 4.693 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(CN3CCCC3)c2)c2ccc(C)cc2)cc1 224601737 JHSLDFDVQZFKCC-UHFFFAOYSA-N 521.683 4.501 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)c(C)c1 224771617 DXMPZKFUJZFIIX-PMERELPUSA-N 561.748 4.768 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 224992545 OAFRPHLVQDNTDE-JKSUJKDBSA-N 548.920 4.745 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cn2)cc1Cl 225235736 RLVHRZVETMPZTH-UIOOFZCWSA-N 533.057 4.991 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 225259336 DFVNQYHJUDLCGU-JKSUJKDBSA-N 548.920 4.745 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225286892 CPDPGOAECXYRLX-LJAQVGFWSA-N 607.773 4.560 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 225454693 FBXFGPUQHRXYIF-FQEVSTJZSA-N 604.592 4.838 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 225508888 LHXMBZCFPDCTIK-GBXCKJPGSA-N 566.562 4.554 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC)S(=O)(=O)c2ccc(F)cc2)cc1 225511780 WQVBFHFVQUXUQP-HKBQPEDESA-N 603.716 4.806 0 40 KJAB CCc1ccc2nc(O)c([C@@H](c3nnnn3C3CCCC3)N(Cc3ccco3)C[C@H]3CCCO3)cc2c1 253498909 GWIPDCZOYLZGEU-BVAGGSTKSA-N 502.619 4.968 0 40 KJAB Cc1ccccc1N(CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O 260717196 FMXBYEFSDXGWKA-LJQANCHMSA-N 542.529 4.790 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 260801839 QNSJPGOZPPFJIR-HSZRJFAPSA-N 551.709 4.531 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260891246 FRKIRQDAYARATF-SSEXGKCCSA-N 577.747 4.550 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 260992328 QDWSXRIUIOATPL-QZTJIDSGSA-N 542.529 4.654 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 261024560 WIDLHXUFMPNPOF-XMMPIXPASA-N 565.736 4.921 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 261045626 ZEIIOWFNNKYNRG-OALUTQOASA-N 542.529 4.708 0 40 KJAB Cc1c(Cl)cccc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 261119220 YYKAAEWOVUIASB-QGZVFWFLSA-N 572.953 4.509 0 40 KJAB CCOc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 408575159 JKHBWWCHLZMVRL-UHFFFAOYSA-N 609.477 4.501 0 40 KJAB O=C(Nc1cccc(F)c1)C(=O)Nn1c(C(=O)Nc2ccccc2F)cc2cc(Br)ccc21 408578488 VRFKSTOBILINTN-UHFFFAOYSA-N 513.298 4.643 0 40 KJAB COc1ccc(CNC(=O)C(=O)Nn2c(C(=O)Nc3ccc(Br)cc3)cc3cc(Br)ccc32)cc1 408580495 QYSHXCDCBCXLKC-UHFFFAOYSA-N 600.267 4.814 0 40 KJAB Cc1cccc(N(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)S(=O)(=O)c2ccccc2)c1C 408627503 NEEOFVWTKIGNGZ-UHFFFAOYSA-N 531.600 4.866 0 40 KJAB O=C(O)/C(=C/c1cc(Br)cc(I)c1O)Sc1nc2ccccc2[nH]1 408631965 BTSSOLPSIXKMJQ-MLPAPPSSSA-N 517.142 4.853 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)N1CCN(c2ccccc2F)CC1 408637101 XRLMCBWHXPILMD-UHFFFAOYSA-N 538.428 4.661 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 408693876 AHHKROZYLPMERL-UHFFFAOYSA-N 582.531 4.975 0 40 KJAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1 408701412 XLXKAXQXJKXOOP-UHFFFAOYSA-N 534.122 4.530 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5ccc(I)cc5)o4)c(=O)n32)cc1OCC 408942197 WQHRUBJIYJXESH-MJRUJHQZSA-N 656.498 4.680 0 40 KJAB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n21 408958348 VUVPJICUEFDPDO-VMOHIOPYSA-N 561.885 4.611 0 40 KJAB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCCOC)=C(C)N=3)ccc1OCC(=O)Nc1ccccc1 409015871 PEWWTSZGIOOMPH-ADUBFANXSA-N 685.799 4.628 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1Br 409016506 CVUFILORAARURP-KGENOOAVSA-N 667.376 4.539 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSC2CCCCC2)c2cc(Cl)ccc2OC)cc1OC 409025638 VJAWEEVKFGDUOD-UHFFFAOYSA-N 557.134 4.743 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(Br)c(OCC(F)(F)F)c(OC)c3)c2=O)=N1 409031943 IDOVLOWNMVSYJF-JCAJYURWSA-N 611.436 4.511 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3OC)c(=O)n2[C@@H]1c1ccccc1OC 409102209 VHIRLMDIDPDLJS-FJWZAKCXSA-N 649.405 4.646 0 40 KJAB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/C(=O)N(Cc5ccccc5)c5ccccc54)c(=O)n32)cc1 409117959 MGWPFAMDZPNIJK-TXTDGAROSA-N 595.746 4.826 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c2=O)=N1 409118420 ZPWOALNPUBGXGP-UGUGFTGJSA-N 561.450 4.503 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)CC1 409130695 XIHYYGKHLSJEIN-UHFFFAOYSA-N 512.075 4.809 0 40 KJAB CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1OC 409152965 CFZWIRXSDYUVGZ-MFKUBSTISA-N 579.606 4.926 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc(Br)c1OCC(=O)OC 409169118 PWGQXPQSRGUYFI-GRSHGNNSSA-N 595.493 4.797 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c2cc(C)cc(C)c2)cc1OC 409320464 BAHFJTJSIXMJJI-UHFFFAOYSA-N 615.774 4.719 0 40 KJAB Cn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1ccc(Br)cc1F 409360710 REBFUKRAKFTNRT-UHFFFAOYSA-N 547.237 4.684 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c(=O)cc1[C@@H](NC(C)=O)CC2 524729016 YTDDVWXBEALMNF-ZSZSCTNVSA-N 635.802 4.843 0 40 KJAB biogenic CCn1cnc2cc(C(=O)N3CCC4(CCCCCc5ccccc5OCCN(C)C4=O)CC3)ccc21 643562661 LNKAJIVIWKEBAI-UHFFFAOYSA-N 502.659 4.933 0 40 KJAB COc1cccc(OCC(=O)N2CCN(C(C)C)CCCN(C(=O)COc3ccccc3)c3c(C)cccc3C2)c1 643566660 GGSPCSBYEXOCOU-UHFFFAOYSA-N 559.707 4.937 0 40 KJAB Cc1nc2ccc(C(=O)N3CCC4(CCCCc5ccccc5OCCN(C(=O)c5cnccn5)C4)CC3)cc2[nH]1 643574069 AITBFPNASYJFCY-UHFFFAOYSA-N 552.679 4.832 0 40 KJAB COc1ccc(CN2CCOc3ccccc3CCCCC3(CCN(C(=O)CCC(=O)O)CC3)C2)cc1 643578689 GCYJPGLVYSJURG-UHFFFAOYSA-N 508.659 4.776 0 40 KJAB O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)Nc1nc(-c2ccccc2)cs1 3303168 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COc1cc(CN(C[C@H]2CCCO2)c2ncnc3c2cnn3-c2cc(C)ccc2C)cc(OC)c1OC 32620493 MJGAUSZGFCWSRD-OAQYLSRUSA-N 503.603 4.644 0 40 KJAB O=C(Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3Cl)c(=O)c21)NCCCc1ccccc1 35399906 MACKUMOOYNXDFZ-UHFFFAOYSA-N 502.977 4.941 0 40 KJAB CC(C)(C)c1ccc(OCC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 41024898 ARRYRQMQEOQAJM-HXUWFJFHSA-N 502.036 4.878 0 40 KJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1S(=O)(=O)Nc1cccc(C)c1C 59924190 FSJJWFVXMFYKBH-UHFFFAOYSA-N 550.662 4.861 0 40 KJAB COc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)Nc4ccc(C(=O)O)cc4)S3)[C@@H](c3ccccc3)C2)cc1 101155947 WTAOFKRLBUJZJI-RPWUZVMVSA-N 528.590 4.571 0 40 KJAB CC(C)[C@@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]12 101609281 YWZHRYBPRQRKJJ-RPWGJLQWSA-N 526.596 4.530 0 40 KJAB CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC 102758731 IFYYYSKSSMBLCP-ZONZVBGPSA-N 502.567 4.934 0 40 KJAB Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1 107899320 BMGVRZNIYTYNSL-SFHVURJKSA-N 536.075 4.551 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCc3ccccc3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 108450986 LNQMAHOWSZDXTP-QCDSWUKFSA-N 573.690 4.616 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 111462612 GORNZRNXZCDBCO-GJFKPFFXSA-N 579.472 4.829 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 222418896 FKMGQPDKOMPLTI-MHZLTWQESA-N 581.735 4.540 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 222616359 KWFOYYCLYTUZSV-MUUNZHRXSA-N 553.700 4.970 0 40 KJAB COc1ccccc1N(CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 222979161 KTFSKJZHRGVWRH-SFHVURJKSA-N 572.555 4.880 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223028866 JPMSDZYZUCRDBF-GOSISDBHSA-N 572.953 4.511 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223064207 AIFCSUSJDQPBIX-DEOSSOPVSA-N 565.736 4.839 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(Br)cc1Cl 223069683 LSAHKGURFCDVQB-CYBMUJFWSA-N 532.660 4.797 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](CC)C(=O)NC)S(=O)(=O)c2ccc(Br)cc2)cc1 223393852 MLMSSNBJAUWRCY-MHZLTWQESA-N 632.577 4.605 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 223446447 DURLWRUKJFACNX-MHZLTWQESA-N 574.118 4.802 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223455087 UHZZKKDWRKDIQM-IBGZPJMESA-N 572.555 4.882 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223652380 KLLSWQGZDCWLNG-SANMLTNESA-N 576.546 4.844 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 223735336 YCGWLRCHFZSARE-JOCHJYFZSA-N 542.101 4.706 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 223808243 PSDRLDPMGXNGNN-QHCPKHFHSA-N 552.137 4.619 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 224008004 ILUWAEOCIFOILL-FYBSXPHGSA-N 609.789 4.805 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 224103362 VXCWEAIJVGNFGK-AREMUKBSSA-N 542.101 4.787 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 224229170 RXVSCDDIEKOJOR-NDEPHWFRSA-N 535.710 4.751 0 40 KJAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1c(C)[nH]c(C)c1I 224556437 FZPWWNHLSYYWEB-UXHICEINSA-N 504.397 4.817 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 224606710 GOZHHDVESQOBPZ-SSEXGKCCSA-N 579.763 4.716 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 224727983 SZYBBYHOYBXDJU-NRFANRHFSA-N 578.573 4.780 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 224800898 FSBHAPFESKEKDG-SFHVURJKSA-N 584.964 4.735 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 224817346 LIUMXTSJMGLDCG-QFIPXVFZSA-N 572.127 4.878 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 224856797 LCWJRCIERWYZQU-NRFANRHFSA-N 562.947 4.992 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)cc1 224969002 CAXFKCZGNUWOFF-QFIPXVFZSA-N 557.757 4.625 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccccc2)[C@@H](CC)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 225031475 JYORHTWDRLVNAY-NDEPHWFRSA-N 557.757 4.888 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 225108861 OJZFWSSAQQSQSW-BJKOFHAPSA-N 553.700 4.970 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225119379 JUHAIUHJCXYLDT-HHHXNRCGSA-N 599.725 4.680 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(I)cc1 225202381 CBSGREZSVYWXPI-CVEARBPZSA-N 528.818 4.655 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 225243001 SODGENATULVUNG-INIZCTEOSA-N 593.371 4.856 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 225270283 HMOKESFVYHCTKC-NDEPHWFRSA-N 587.689 4.892 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225276384 BCUTURRQMQAQMC-HZPDHXFCSA-N 548.920 4.599 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 225343197 DXPZGZDJVQINHR-JOCHJYFZSA-N 542.529 4.710 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 225418504 GWIVJURRISZSTK-QFIPXVFZSA-N 539.673 4.616 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 225580236 ABBXRHQYMMMIMA-ZEQKJWHPSA-N 515.720 4.572 0 40 KJAB Cc1ccc(C)c(S(=O)(=O)N(CC(=O)N2CCc3cc(Br)ccc32)Cc2ccccc2)c1 225935350 NHBHPFGKHMNXPA-UHFFFAOYSA-N 513.457 4.846 0 40 KJAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCc2cc(Br)ccc21 226003053 ILJRVDZTDMFOTO-UHFFFAOYSA-N 533.875 4.925 0 40 KJAB CN(Cc1ccccc1)C(=O)C[C@]1(COc2ccccc2)CCCN(S(=O)(=O)c2ccc(F)cc2F)C1 257308736 TXXJVRIEUQEGHU-MUUNZHRXSA-N 528.621 4.863 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O)[C@H](C)C(=O)NC1CCCCC1 260800199 OTALVZYLDNKPSG-HSZRJFAPSA-N 527.731 4.751 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@H](C)c3cc(C)c(C)cc3C)Oc3cc(C)ccc32)cc1 260917468 DKZGXBCGWBTZAW-JIPXPUAJSA-N 508.640 4.763 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 260921955 GRAQFMIWJWZGFH-YADHBBJMSA-N 536.138 4.835 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 260956867 KOQJXTISZUSQSY-SVEHJYQDSA-N 549.737 4.955 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 261033094 XOUUSBANWXICBT-SFTDATJTSA-N 522.111 4.527 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 261110558 XUXARJHSACXCOQ-YADHBBJMSA-N 572.127 4.876 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 261116556 YPOMAIREOFFFAU-DCFHFQCYSA-N 592.108 4.939 0 40 KJAB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)c1 408642507 DYPKJCYHKZZFKW-DNQXCXABSA-N 573.001 4.759 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1 408649192 KUXBLTPPYOACJU-WOJBJXKFSA-N 567.381 4.997 0 40 KJAB CCOC(=O)COc1c(I)cc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 408824622 GZDIQOKUXPSJPQ-AOLPSBPOSA-N 755.425 4.506 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408834339 XTHBWQMHGJUJRJ-ZYSRDMNZSA-N 575.086 4.996 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)ccc4OC)c(=O)n32)c(OC)c1 408976407 FNTFJRGQQMLIHM-MFCBUNOESA-N 576.074 4.553 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(Br)o3)c2=O)=N1 409048012 VPUOHDLLEJOFRU-QFTJCQGQSA-N 565.873 4.596 0 40 KJAB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 409056796 NYJHLPLYYIVAQI-UHFFFAOYSA-N 551.846 4.703 0 40 KJAB CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1c(OC)ccc3ccccc13)C(C(=O)N(CC)CC)=C(C)N=2 409095980 CAZZYIKWPQDBOF-NLTKXKDSSA-N 555.700 4.664 0 40 KJAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)c1 409104981 LSOFZZBDSOSIKA-OEAKJJBVSA-N 520.383 4.868 0 40 KJAB Cc1ccc(N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)S(=O)(=O)c2ccccc2)cc1C 409109280 AXDQPYRFVPLNFD-UHFFFAOYSA-N 512.075 4.809 0 40 KJAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)Nc4c(C)cc(Br)cc4C)cc3)C2)cc1 409132951 PNTZVIHPKRKQNM-NRFANRHFSA-N 580.479 4.761 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409142763 DEXGNNUWTSZAOJ-CEUNXORHSA-N 630.723 4.923 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 409344506 JTNDVLXRGOOPBY-UHFFFAOYSA-N 613.689 4.786 0 40 KJAB CN(C)c1ccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409380156 JIXURZUFKXCKIQ-FCHUYYIVSA-N 545.375 4.534 0 40 KJAB COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 504068810 WULSXBKHHUWZIW-AAVCQDEJSA-N 522.601 4.965 0 40 KJAB biogenic Cc1cc(OC[C@]2(CC(=O)N3CCC(O)CC3)CCCN(C(=O)c3cc(F)cc(F)c3)C2)cc(C)c1Cl 585288130 XEPMSUXKFJVLBI-NDEPHWFRSA-N 535.031 4.910 0 40 KJAB COc1cccc(-n2nnc(C(=O)N3CCN(Cc4ccccc4)CCCNc4ccccc4C3)c2C)c1 643554663 XHTGXJQAYUDISY-UHFFFAOYSA-N 510.642 4.545 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3ccc4ccccc4n3)CCO2)C1=O 643557150 QHJFRWGTDADUOO-WJOKGBTCSA-N 515.654 4.880 0 40 KJAB CS(=O)(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)c2cnc3ccccc3c2)Cc2ccccc21 643566972 NGURSJCTWIJIGF-UHFFFAOYSA-N 528.678 4.549 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccccc1OC)Cc1cc2c(C)ccc(C)c2[nH]c1=O 1375639 WGGBGVOTELGTCP-VWLOTQADSA-N 512.614 4.935 0 40 KJAB Cc1ccc(-n2c(N)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3nc4ccccc4nc32)cc1 2335429 WGRQKYXOYJMLBW-UHFFFAOYSA-N 503.566 4.514 0 40 KJAB CCc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NCc4ccccc4)C(=O)N23)cc1 2967096 PHOFIYRUAVWDHK-RUZDIDTESA-N 539.661 4.676 0 40 KJAB COc1cccc(N2CCN(C(=O)c3cnn4c3N[C@@H](c3ccc(OC)c(OC)c3)C[C@@H]4C(F)(F)F)CC2)c1 3012443 CPLPBMWFUCZRRS-ZJSXRUAMSA-N 545.562 4.532 0 40 KJAB COc1ccc(NC(=O)c2sc3sc(C(=O)Nc4ccc(OC)c(OC)c4)c(N)c3c2N)cc1OC 3624168 VOHYDRJUCXGIOH-UHFFFAOYSA-N 528.612 4.666 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2c1 6135273 BAZWEPMGOLSPOF-XMMPIXPASA-N 539.606 4.762 0 40 KJAB Cc1cc(C)c2cc(C)c3nnc(SCC(=O)Nc4ccc(S(=O)(=O)NC5CCCC5)cc4)n3c2c1 6193874 UHACLHLPBUZRFJ-UHFFFAOYSA-N 523.684 4.759 0 40 KJAB COC(=O)c1ccc(Oc2nc(Oc3ccc(C(=O)OC)cc3)nc(Oc3ccc(C(=O)OC)cc3)n2)cc1 6879053 ZBGTVGICFFFLHQ-UHFFFAOYSA-N 531.477 4.608 0 40 KJAB biogenic COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cn(-c4ccccc4)nc3-c3cccs3)C2)cc1OC 9260662 HUHPZATYGUNOPY-NRFANRHFSA-N 508.625 4.729 0 40 KJAB C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)N1N=C(c3ccc4ccccc4c3)C[C@@H]1c1ccccc1)CS2 12542830 BBJIQLMAUFEMPQ-ITLAICGJSA-N 513.619 4.515 0 40 KJAB CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O 13495896 NQKIZLPDLVFNHU-AHKZPQOWSA-N 500.647 4.506 0 40 KJAB COc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n2C)C(C)C)cc1 33668296 AIBHBYIGWZSOBY-NRFANRHFSA-N 502.040 4.643 0 40 KJAB COc1ccc(CN(C[C@@H]2CCCO2)[C@@H](c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2C2CCCC2)cc1 33936811 HTWWGMTWKMRPHM-LSYYVWMOSA-N 528.657 4.717 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 59929635 RDIACHGTSVMTIC-SSEXGKCCSA-N 583.754 4.827 0 40 KJAB CCOc1ccc(N(CC(=O)NCc2ccccc2OCC)S(=O)(=O)c2ccc(Br)cc2)cc1 60028854 YXJZOFNLASBUTC-UHFFFAOYSA-N 547.471 4.758 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC 97959505 DNCGMYMVQFQPDV-UNDLXJOSSA-N 632.710 4.932 0 40 KJAB COc1ccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)NCCCN2CCCC2=O)cc1 97979053 ICVQJKCLBIQUEF-VWXXCCROSA-N 541.648 4.652 0 40 KJAB COc1cc(OC)cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(OC)c(OC)c2)c1 100292783 ZMNWUWAWZFJMAA-HKBQPEDESA-N 587.677 4.689 0 40 KJAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)CSc2nnc3c4c5c(sc4ncn23)CCCC5)cc1 100344575 KKKOFWJVTAWGRE-SFHVURJKSA-N 570.766 4.902 0 40 KJAB COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)CNC(=O)c2cccs2)c2cc(C)ccc2OC)cc1OC 100414535 ZUMOMQXROGOWIZ-AREMUKBSSA-N 553.681 4.501 0 40 KJAB C[C@H]1CCCC(=O)N(C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C1=O 101094742 GCSPSVYRCZWBHN-XJKSGUPXSA-N 522.237 4.856 0 40 KJAB COc1cc2nc(SCC(=O)Nc3cccc(Cl)c3)n3nc(CCn4nc(C)cc4C)nc3c2cc1OC 101308164 GPJMPQYWCVBXSP-UHFFFAOYSA-N 552.060 4.735 0 40 KJAB O=C(COc1ccc(-c2nc3ccccc3s2)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 102961560 DBVPLVYAQLAFTC-UHFFFAOYSA-N 544.054 4.655 0 40 KJAB CC(=O)OC1CCC(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(C)cc(C(C)(C)C)cc3C)cc2)CC1 105316122 MQKLQRDJLNGVMG-UHFFFAOYSA-N 536.716 4.554 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 222467712 FRMIMGXXFCPZOG-MUUNZHRXSA-N 535.710 4.831 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 222597471 KVTRFQUAECZIHW-WIOPSUGQSA-N 550.165 4.959 0 40 KJAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)N2c3ccc(Br)cc3C[C@H]2C)CC1 222613637 LREARAZJQGTLSP-QGZVFWFLSA-N 535.504 4.960 0 40 KJAB C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1)c1ccccc1 222647067 MJFAPWQUVGUODO-LJQANCHMSA-N 539.057 4.535 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 222679492 QVYJZBGWEIQFLG-DEOSSOPVSA-N 535.710 4.831 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 222815246 CZSHWCCTAWWZLE-IBGZPJMESA-N 578.518 4.669 0 40 KJAB O=C(NCc1ccccc1)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2Cl)c2ccccc2O1 222822032 GEBFITAEDGGJAM-PMERELPUSA-N 618.111 4.581 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 222828057 WDXKPJXFNIVEGB-NRFANRHFSA-N 578.946 4.753 0 40 KJAB CCOC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1 222839342 OODAUHGMIHNKCA-UHFFFAOYSA-N 537.421 4.917 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 222880551 KIFVFMYCMVIQPQ-HHHXNRCGSA-N 605.679 4.646 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1C 222961011 ZBTDZWKPMZCFRG-SFHVURJKSA-N 542.529 4.708 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223035335 XUXARJHSACXCOQ-FCHUYYIVSA-N 572.127 4.876 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 223038426 VRIVOERCOWPWBE-JOCHJYFZSA-N 586.552 4.815 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 223039743 SDEOKPBOPWVQEC-ZLDCORIASA-N 565.780 4.782 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 223347274 AVGIEEHUGGRUAG-QGZVFWFLSA-N 555.311 4.620 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 223435280 FLCMDGAMQUZSEF-VWLOTQADSA-N 595.762 4.931 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 223603026 RBDOCUHORJHBNW-VWLOTQADSA-N 535.710 4.669 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 223638707 WURHYMHANTWUQT-RBISFHTESA-N 603.160 4.647 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 223659521 TVEFJSXQRQHIRE-VWLOTQADSA-N 545.746 4.580 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223712964 MCOZWNBTTACERN-INIZCTEOSA-N 548.920 4.746 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c1 223728878 VZUJATQGGZKRSK-DEOSSOPVSA-N 593.746 4.684 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(I)cc1 223740874 ODDXMKNGEZCQSH-JOCHJYFZSA-N 522.427 4.702 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 223743320 PNMATAAWAMMWQZ-YTTGMZPUSA-N 659.805 4.992 0 40 KJAB COC(=O)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 223956960 LCIRUOYOKPVPPM-VSGBNLITSA-N 539.661 4.673 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 224527029 KCXGDGOOPSZKAD-MUUNZHRXSA-N 595.762 4.787 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 224666652 GDJUKLIMEZDNQR-NRFANRHFSA-N 534.122 4.671 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 224800952 FSBHAPFESKEKDG-GOSISDBHSA-N 584.964 4.735 0 40 KJAB CCc1ccc(OCCNC(=O)c2ccc(CN(c3ccc(OC(C)C)cc3)S(C)(=O)=O)cc2)cc1 224908439 FDJVJBHAPWCGLR-UHFFFAOYSA-N 510.656 4.811 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 224931227 BIMOVYKQZGKJCX-INIZCTEOSA-N 593.371 4.774 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 224941225 LHXOEFFGAFTVRL-SSEXGKCCSA-N 575.706 4.910 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224957578 GXUYCIIPQQLMRV-DEOSSOPVSA-N 563.720 4.757 0 40 KJAB COc1ccc(N(CCCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1Cl 224993897 LIRNIJRYUJEZPJ-QFIPXVFZSA-N 578.175 4.804 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 225013796 RHAYJSINVDEGTL-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C)c2cc(Cl)ccc2C)cc1 225027511 KLLZJFXKFULFAW-UHFFFAOYSA-N 516.044 4.704 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 225106637 RBWNXMTXCMHABX-MUUNZHRXSA-N 551.709 4.533 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 225198819 CWCULOVOKRZSRC-XMMPIXPASA-N 538.085 4.501 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 225256277 QCKFDOPVGDWSOA-MHZLTWQESA-N 553.700 4.971 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225345477 ABNKAUBXLYGFBO-OAQYLSRUSA-N 578.946 4.755 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 225374141 JQOAOBWRPNZTNM-MHZLTWQESA-N 527.731 4.532 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O 225380562 LBLMVLJWAGVGCO-HHHXNRCGSA-N 574.118 4.802 0 40 KJAB COC(=O)c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)o2)c1 225470247 VUGQUBWQAXPHPQ-UIOOFZCWSA-N 562.673 4.985 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC)S(=O)(=O)c2ccc(Cl)cc2)cc1 225482411 HJXRHBDSICCSPN-IBGZPJMESA-N 622.969 4.860 0 40 KJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)O)c3)o2)cc1NS(C)(=O)=O 225490961 LCNMGOXSCZCURE-DQEYMECFSA-N 564.645 4.597 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 225530178 VVDBBHHMEVCRRG-RBJSKKJNSA-N 535.710 4.912 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 225553975 VUKIPMPRYHHXJK-YTTGMZPUSA-N 599.753 4.893 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 225580381 WAUWVTKGXCIGCA-PXDATVDWSA-N 536.138 4.917 0 40 KJAB CC1CCN(c2cc(Sc3ncccn3)nc(NC(=S)NCC3(c4ccccc4)CCOCC3)n2)CC1 225993540 AYCPRTOHDDMDRQ-UHFFFAOYSA-N 535.743 4.689 0 40 KJAB CN(C)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(c6ccc(Cl)cc6)C(=O)[C@@H]54)[C@H]23)cc1 245229369 WBQKVTIXIWJOTC-AKQYMVAGSA-N 538.094 4.834 0 40 KJAB COC(=O)[C@@H]1O[C@H](Oc2ccc([C@@H]3[C@H](CC[C@H](OC(C)=O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 256109580 NZXOBPVQKQLFNG-WGJNWCCYSA-N 767.731 4.825 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC(C)C)c2ccccc2)cc1 260866451 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COc1cccc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)n(NC(=O)C(=O)NCc3ccccc3)c12 408602336 DALZFZXMHJSOOY-UHFFFAOYSA-N 511.365 4.596 0 40 KJAB COc1ccc(OCc2nnc(SCC(=O)Nc3cc(Br)ccc3Br)o2)cc1 408637186 GTGMOXVZXXTXET-UHFFFAOYSA-N 529.210 4.913 0 40 KJAB CCOC(=O)COc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC 408909801 HMLGXDCMVSUMHT-KROVIPFCSA-N 639.151 4.601 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OC(C)C)cc4C)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 409117443 RCYLFZHZOWGKII-UAMLYEQYSA-N 630.719 4.949 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)c2ccc(C)cc2)cc1 409121685 ZEKFXEFDHMWVBT-NRFANRHFSA-N 523.655 4.756 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c(Br)cc1O 409161457 XMGRUDWTESIWCW-IUXPMGMMSA-N 556.232 4.991 0 40 KJAB O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N1CCN(Cc2ccccc2)CC1 409203676 YLOUKXZMWDLKDD-UHFFFAOYSA-N 576.944 4.638 0 40 KJAB CC[C@@H](C)Oc1c(I)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1OC 409255167 YFNWIWYQVYDVJA-XWAFYUISSA-N 506.340 4.570 0 40 KJAB COc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 409265805 PHVCYSYBTUPYCN-HOTGVXAUSA-N 507.450 4.568 0 40 KJAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)cc1Br 409352703 YBUAFFSISSIEFC-NVMNQCDNSA-N 553.818 4.963 0 40 KJAB CCn1c(SCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl 409354586 IJZSEMWJMWCWGF-DEOSSOPVSA-N 599.157 4.672 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4cccc(F)c4)cc3Br)C2=O)o1 409400184 PXWBNPPKBWAIIW-OCKHKDLRSA-N 559.344 4.648 0 40 KJAB CC(C)CC(=O)N1CCCN(C(C)C)CCN(C(=O)CS(=O)(=O)Cc2ccccc2)Cc2ccc(Cl)cc21 643566302 WNTQZLZDOOIGOZ-UHFFFAOYSA-N 562.176 4.777 0 40 KJAB COc1cc(OC)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc3nsnc23)cc1Cl 2410628 HDLBOXMWSFOCQW-UHFFFAOYSA-N 529.003 4.850 0 40 KJAB CSc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1 2683751 DBULCEVCJKMZOZ-LJJBLSSYSA-N 510.706 4.631 0 40 KJAB Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc3)sc2c1 3266463 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O=C1[C@H]2ON(c3ccc(Br)cc3)[C@@H](c3cccnc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 18083943 QWVYWZXTRYISRT-UFYCRDLUSA-N 518.289 4.914 0 40 KJAB COc1ccccc1N1CCN(C(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 20235295 NXALDWCGYZAZLO-UHFFFAOYSA-N 521.683 4.671 0 40 KJAB COc1ccc(NC(=O)C[C@@H]2SC(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccccc3)=NC2=O)cc1 20491189 DZCRGIRXTSNKHK-RPBOFIJWSA-N 514.607 4.882 0 40 KJAB COc1cc(-c2nc(COC(=O)c3nnn(-c4cccc(SC)c4)c3C)c(C)o2)cc(OC)c1OC 45900451 FIXPJJZZMOWBEM-UHFFFAOYSA-N 510.572 4.644 0 40 KJAB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)Nc1cc(C)ccc1C)c1ccccc1 59490176 OLWRYMBOTQPATL-UHFFFAOYSA-N 503.418 4.909 0 40 KJAB CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]2CCCO2)cc1)c1nc2c(Cl)cccc2s1 60210028 IMADCLRDILVGLO-FQEVSTJZSA-N 565.161 4.738 0 40 KJAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NC[C@H]4CCCO4)C(=O)N32)cc1 70707376 WBZBYPBNSGROHX-WTILKEDBSA-N 550.615 4.568 0 40 KJAB biogenic 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KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 222698580 UDRRKIXXRSQJKE-MUUNZHRXSA-N 603.160 4.504 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 222843849 VBVFQJJRCRALOM-XMMPIXPASA-N 571.662 4.592 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 222961184 ALLLOYHTPOHFKE-SFHVURJKSA-N 566.482 4.881 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 222971699 LPUNZTZSEISHOV-DEOSSOPVSA-N 551.709 4.533 0 40 KJAB O=C(NCCCO)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl 223100398 AXRZGWGXLDLIAG-XMMPIXPASA-N 515.437 4.511 0 40 KJAB COc1cccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)c1 223103831 VMVGNYNXHZHQSO-DEOSSOPVSA-N 565.736 4.573 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 223159958 IZFANWOWVKHLTO-SANMLTNESA-N 539.673 4.743 0 40 KJAB 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0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224759266 XRWZYSFLYZCRJH-IBGZPJMESA-N 582.536 4.611 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 224831687 HPSLTQNCKVTZIC-LJAQVGFWSA-N 583.701 4.738 0 40 KJAB Cc1cc(I)ccc1N(CCCC(=O)Nc1ccc(Cc2ccncc2)cc1)S(C)(=O)=O 224835985 IGTBWOQEPOVBPK-UHFFFAOYSA-N 563.461 4.770 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 224993175 QAJCUHJNOBGYGI-VWLOTQADSA-N 605.757 4.562 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225006656 AOVPVOLRGJZESR-MUUNZHRXSA-N 672.642 4.931 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 225120834 HYNOHWPLSHISAX-NDEPHWFRSA-N 569.699 4.672 0 40 KJAB CC(C)n1c(=O)sc2cc(NC(=O)[C@H]3CN(S(=O)(=O)c4ccccc4)c4cc(Cl)ccc4O3)ccc21 225165322 SMVDOOPDJUPKRF-JOCHJYFZSA-N 544.054 4.892 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 225184514 DXTCOMCPTVWLCF-XMMPIXPASA-N 553.700 4.971 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 225214824 GWABFMANDBMNDM-BJKOFHAPSA-N 553.700 4.970 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 225219970 DLPLRSDFQJJDKT-QHCPKHFHSA-N 542.529 4.873 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 225301877 PSYAIIJSSHRKRQ-VQTJNVASSA-N 571.571 4.555 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC)S(=O)(=O)c2ccccc2)cc1 225499767 USUILCBOYKSIHT-HKBQPEDESA-N 585.726 4.667 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 225703599 SDUBWTMQEOJTRZ-HHHXNRCGSA-N 535.710 4.831 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1OC 225713409 RUGUJTGHVLYGFP-QFIPXVFZSA-N 646.604 4.851 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 225753220 MKGXHXVHNVXRNU-MUAVYFROSA-N 581.735 4.621 0 40 KJAB O=c1sc2cc(S(=O)(=O)NCc3nc(-c4cccc(Cl)c4)no3)ccc2n1Cc1ccc(Cl)cc1 225795221 WFNVPVNMQJYAML-UHFFFAOYSA-N 547.445 4.947 0 40 KJAB Cc1ccc(-c2nnc(NC(=O)[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)c4ccc(C)cc4O3)s2)cc1 225810644 PVHAAVDYORPXPU-HSZRJFAPSA-N 520.636 4.725 0 40 KJAB CCOc1ccc(-n2c(SCC(=O)NCc3ccco3)nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 252549462 RGJAERQMDMSHBR-UHFFFAOYSA-N 500.580 4.781 0 40 KJAB O=C(NCCc1ccccc1)[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c2ccccc2O1 260749215 UHTPLVKRZDLZSB-MGBGTMOVSA-N 609.748 4.914 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1C 260769476 HIPDYPBIMWCQLD-JOCHJYFZSA-N 548.149 4.979 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 260811087 UQAPMKZRLCBCLX-GOSISDBHSA-N 542.529 4.708 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(F)cc1)[C@H](CC)C(=O)NC1CCCC1)S(C)(=O)=O 260820104 VURQQAWJPGQROO-RUZDIDTESA-N 561.720 4.637 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 260961118 LCVGEZRAPRRMQA-GIGWZHCTSA-N 625.788 4.938 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 260988139 PIXIIYQMNUHDNK-RPBOFIJWSA-N 625.788 4.857 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 260992470 QFVKTCIKUPEVPS-BWKNWUBXSA-N 536.138 4.651 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 260997341 DPJRGBDWTCGBRH-CUNXSJBXSA-N 616.180 4.678 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 261001340 RTUDAGKLKIOGNN-RPWUZVMVSA-N 581.735 4.540 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 261016590 UTDMMUVANGRDOB-HHHXNRCGSA-N 586.154 4.669 0 40 KJAB 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C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 223952757 UQWHETGPGVGUJW-MRXNPFEDSA-N 605.382 4.998 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cc(C)cc(C)c2)c2cccc(Cl)c2C)cc1 224062168 AEPAQUBNXFMEMF-UHFFFAOYSA-N 501.048 4.964 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 224317402 KSXTZLBWHKMEMT-VWLOTQADSA-N 572.127 4.796 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224588022 PAYQPPWWXCPTSD-LJAQVGFWSA-N 581.710 4.896 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 224647616 OJPLKNYBBBITDQ-XMMPIXPASA-N 551.709 4.533 0 40 KJAB COc1ccc(CN(C(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)cc1 224974096 XIFUSYAFQPHICO-NRFANRHFSA-N 564.148 4.761 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 225219188 DKLXAXKVOPUWSU-IBGZPJMESA-N 548.492 4.660 0 40 KJAB 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566.164 4.925 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 260956823 KNTHFFFYEIXVDB-CUBQBAPOSA-N 595.762 4.930 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 260961139 LDFPJSBMHPQWOY-ZHRRBRCNSA-N 546.492 4.621 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c2ccccc2)cc1 260986142 BURJYHACVMPTQM-DHIUTWEWSA-N 569.699 4.752 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 260988221 PMYGSKVMKJGKTE-PMACEKPBSA-N 571.662 4.592 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 261092382 UHFHCTNOOZZWPL-SFTDATJTSA-N 566.562 4.636 0 40 KJAB Cc1cccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(F)cc3)cc3cc(Br)ccc32)c1 408574189 FSSNQMBYPRNPLZ-UHFFFAOYSA-N 509.335 4.812 0 40 KJAB COc1ccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2cc(C)ccc2OC)c(OC)c1 408591106 IUPJBXAVTUYCFH-UHFFFAOYSA-N 535.018 4.517 0 40 KJAB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccccc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21 408651709 NXAGUKRTURGPDI-KAZGAHJFSA-N 557.002 4.997 0 40 KJAB Cc1cc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)c2)cc(C)c1Br 408683037 HDTMTGFHLHRXDD-XMDBHEJHSA-N 527.415 4.787 0 40 KJAB O=C(C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 408694067 AIFPWWRPWXYTHJ-UHFFFAOYSA-N 552.140 4.816 0 40 KJAB O=C(Nc1nc(-c2ccccc2)cs1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 408986400 CDHAMQNWBWFYNM-NRFANRHFSA-N 589.480 4.943 0 40 KJAB CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)N(CC(=O)OC)C2=S)cc1 409052304 COAOENCBWJAIPO-YVLHZVERSA-N 554.260 4.627 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)Cc2ccc(Cl)cc2)cc1 409065787 UDVUNISAGVYXBA-UHFFFAOYSA-N 532.493 4.842 0 40 KJAB CC(C)CNC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 409117105 WNCQQXDPDSPLAQ-UHFFFAOYSA-N 500.020 4.560 0 40 KJAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)cn(Cc3c(F)cccc3Cl)c12 409145668 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KJAB COc1cccc(CN(C(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 224029008 MMSRJXQKYLRGPR-DEOSSOPVSA-N 593.746 4.684 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 224229780 MNUZKIGWCMKDAV-AREMUKBSSA-N 542.101 4.787 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 224324387 FULVPTWBSQFRQC-GDLZYMKVSA-N 567.727 4.847 0 40 KJAB CC[C@@H](C(=O)NCc1ccc(CN2CCCCC2)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224530218 SXOZLXGTFZLKCH-QFIPXVFZSA-N 512.503 4.840 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 224690999 UUDHMVVVCYKKHE-NRFANRHFSA-N 692.629 4.621 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1C 224724508 QQZYKVQJECVBQN-NRFANRHFSA-N 566.562 4.554 0 40 KJAB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1 224768598 PBKCNZHLOODCDQ-UHFFFAOYSA-N 512.075 4.832 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 224779931 ONRCIBXRFFLEDK-QFIPXVFZSA-N 542.101 4.787 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 225405992 SLSIOKMBECDAEP-HHHXNRCGSA-N 572.127 4.878 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 225696232 PMLZEKRBSBGRGC-NRFANRHFSA-N 604.542 4.973 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 225713628 HLGLMWSDTWFSTD-NRFANRHFSA-N 604.542 4.973 0 40 KJAB O=C(NCCc1ccccc1)[C@@H]1CN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c2ccccc2O1 226005611 RRBPDBINDMROQY-HKBQPEDESA-N 662.606 4.836 0 40 KJAB Cc1cc(OCC2(CC(=O)N3CCN(C)CC3)CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)ccc1Cl 257231108 GFGODEFWZYGAAI-UHFFFAOYSA-N 588.985 4.969 0 40 KJAB Cc1c(Cl)cccc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 260754932 CBCAFYRZZSQFBH-LJQANCHMSA-N 554.540 4.934 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)c1 260893633 MFJMOGWUKNCTKY-JOCHJYFZSA-N 572.127 4.733 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 260932014 XEFCIRFXXLNXKI-RPWUZVMVSA-N 551.709 4.531 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 260935366 IDTYDWDDGVJZNI-ZEQRLZLVSA-N 551.709 4.531 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 261010205 GTNIJRMQYLXWGW-GDLZYMKVSA-N 563.764 4.933 0 40 KJAB CCc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccccc2)cc1 261034429 XRFVEOAGWPTLFO-LOSJGSFVSA-N 549.737 4.819 0 40 KJAB Cc1cccc(CN(C(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 261041331 ZFXCIGIJVUQCBN-SSEXGKCCSA-N 619.784 4.969 0 40 KJAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2)c1 408554353 RRFYNBULDHWXGG-GFCCVEGCSA-N 507.823 4.703 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 408589676 FKARJCRGNMDBKK-RGVLZGJSSA-N 525.355 4.557 0 40 KJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408669043 WSZCNQDYWVPLAB-OIMQUIHCSA-N 563.437 4.784 0 40 KJAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)cc1)Nc1ccc(F)cc1 408690661 WHJYKEOAKRKOOZ-DTTIITEWSA-N 512.537 4.550 0 40 KJAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 408701596 ATLGFVUCNXQZBX-UHFFFAOYSA-N 578.112 4.822 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408854394 DTNPYUXPLHAAES-PRLWALMFSA-N 586.666 4.852 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4ccccc4C)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1Cl 409005965 GRSBZGXUNDXRSW-YLKQWKBVSA-N 632.138 4.786 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)ccc4C)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409036670 SCLKGSYAOPCTJO-CWPZDHDOSA-N 651.137 4.971 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cc(Br)cc(OC)c3O)c2=O)=N1 409038956 WFHVHOFAZQIXBD-YLVTVWEBSA-N 666.388 4.826 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3OCC)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409040816 YSTOAJKDLJFXJN-VZFFITARSA-N 738.451 4.673 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc(Br)c1OC 409159456 UFBWGDIURCMBDV-CXUHLZMHSA-N 556.232 4.904 0 40 KJAB CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1=S 409164697 MIFYUMWDCHQZJK-UHFFFAOYSA-N 506.657 4.743 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)c(C)c2)c2ccccc2)cc1OC 409173304 OSULVFGPAVSSGE-UHFFFAOYSA-N 519.417 4.609 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc1OC 409219790 UUBDVLPKFCCASE-VXLYETTFSA-N 660.280 4.923 0 40 KJAB COc1cc(C(=S)N2CCCC2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409264085 JOTXIUPBLOEUJL-UHFFFAOYSA-N 530.815 4.742 0 40 KJAB CCOc1cc(C(=S)N2CCN(C)CC2)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C 409271723 WGQHXGOJMPWDOO-UHFFFAOYSA-N 534.520 4.713 0 40 KJAB COc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)CC1 409411279 VUKCDXGWFPVJPQ-UHFFFAOYSA-N 514.047 4.729 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3c(F)cccc3F)CCO2)C1=O 643556899 QSFIHBRYSRHFTG-NDEPHWFRSA-N 500.586 4.610 0 40 KJAB CC(=O)N1CC[C@H]2CC[C@@H](CN(C(=O)C3CCN(c4nc(C)cc(C)n4)CC3)Cc3ccccc31)N2Cc1ccncc1 643567524 JROYQWXKZIWDJY-JSOSNVBQSA-N 581.765 4.523 0 40 KJAB CCC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)CC[C@@H]3CCCO3)Cc3ccccc31)N2Cc1ccncc1 643577603 BSMBEQMXBMNZRS-PKTNWEFCSA-N 518.702 4.939 0 40 KJAB CC(=O)N1CCCCCCCN(C2CCOCC2)Cc2cc(C(=O)NCc3cccc(CN4CCOCC4)c3)ccc21 643577917 JNUMMQFDMVHFGV-UHFFFAOYSA-N 576.782 4.747 0 40 KJAB Cc1oc2cc(OCC(=O)N[C@H](Cc3ccccc3)C(=O)O)ccc2c(=O)c1Oc1ccc(Br)cc1 627921 DVCINDFOAVNTED-JOCHJYFZSA-N 552.377 4.847 0 40 KJAB COc1cccc(C(=O)COC(=O)[C@H](C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1 991766 UHGIGHZNNUIKHT-QMMMGPOBSA-N 505.137 4.719 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccccc1 2058566 ULURVBLECAEXEY-ZPVURNRZSA-N 567.070 4.914 0 40 KJAB COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(Cl)cc4)CC(=O)N32)cc1OC 2103091 XLADEEJCSSRHCR-FIPFOOKPSA-N 515.997 4.724 0 40 KJAB biogenic Cc1cccc(-c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4ccc5c(c4)C[C@@H](C)O5)c(=O)n3n2)c1 2396524 CZWXAVFBQLBSIZ-NLULDLIBSA-N 517.614 4.850 0 40 KJAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)Nc1ccc(Cl)cc1Cl 2656316 DJAFQGPQSMPBPU-UHFFFAOYSA-N 519.406 4.930 0 40 KJAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)Nc3ccc(I)cc3)cc12 3235623 VMXFGSJMYDRUBT-UHFFFAOYSA-N 517.348 4.796 0 40 KJAB COc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1OC 3262768 REAJWUPWZZLLNF-UHFFFAOYSA-N 578.595 4.992 0 40 KJAB O=C(C[C@@H]1Sc2ccccc2NC1=O)OCc1nc2scc(-c3ccc(Br)cc3)c2c(=O)[nH]1 3427242 GGZWXWIUMHLMJM-KRWDZBQOSA-N 542.436 4.960 0 40 KJAB Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 8395846 HIBBLAAGNQBMTK-PMERELPUSA-N 621.806 4.990 0 40 KJAB O=C(NCCNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)Nc1ccc(Cl)cc1 8681090 VLGCXDPQEQYXJP-UHFFFAOYSA-N 513.822 4.774 0 40 KJAB COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(C)ccc4O)c3[C@@H]2c2ccc(OC)c(OC)c2)cc1OC 9184760 FJHICFMMMIKWLA-LJAQVGFWSA-N 529.593 4.913 0 40 KJAB COc1ccc(-c2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@H]4c2cccnc2)cc1OC 9451511 MQCQTFFQBGUTNG-XMMPIXPASA-N 517.549 4.984 0 40 KJAB CCc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCCC(=O)NCCc1ccccc1 9472947 LDXLCDXTHRTNBO-UHFFFAOYSA-N 528.678 4.829 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccc(F)cc2)cc1 9934133 MDGPPHYVZAETOL-XMMPIXPASA-N 503.530 4.677 0 40 KJAB CCOc1ccccc1C(=O)N[C@H](C(=O)OCc1csc(CC(=O)Nc2ccc(C)cc2)n1)C(C)C 12549145 ZWDVJQNYEYPQIM-VWLOTQADSA-N 509.628 4.529 0 40 KJAB C[C@H](NC(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21)C12CC3CC(CC(C3)C1)C2 12555659 UTXXLBUXPXFXNI-CPLFSFDISA-N 506.046 4.586 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2)cc1OC 13029247 XQHNXCJNYGSYKQ-NDEPHWFRSA-N 529.641 4.836 0 40 KJAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 15317966 QNDFKFUZJNLKFJ-UHFFFAOYSA-N 518.664 4.779 0 40 KJAB C[C@H](c1nc(NCc2ccccc2)c2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 22052624 GBWNNHRZEKRJCQ-HXUWFJFHSA-N 522.074 4.963 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1cccc(CN2CCOCC2)c1 22511290 LTRAIRPJRNZORB-UHFFFAOYSA-N 520.438 4.879 0 40 KJAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)c1 59331770 UQSHIMVXZCEDCN-UHFFFAOYSA-N 527.046 4.811 0 40 KJAB C[C@H](NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 59960860 XEIXCDGDBINKGL-INIZCTEOSA-N 575.030 4.835 0 40 KJAB CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2cc(OC)ccc2s1 60210153 WDEMENCOOUNRSI-UHFFFAOYSA-N 544.743 4.858 0 40 KJAB CCCCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC 97946156 HHJGMVDPOFJGQU-QKSFETHESA-N 540.707 4.826 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)N3CCCc4ccccc43)n2-c2cccc(Cl)c2)cc1 97961645 BHBNJTPBDXQIAI-UHFFFAOYSA-N 653.230 4.953 0 40 KJAB COc1ccc(CCNC(=O)COC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)cc1OC 97979458 DHTINTMXVPZQRI-FYWRMAATSA-N 579.609 4.578 0 40 KJAB Cc1ccsc1[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccccc1Cl)C(=O)Cn1nnc2ccccc21 100336062 SPVLDWBVDJQNKW-NLFFAJNJSA-N 538.073 4.520 0 40 KJAB CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(CCc1ccc(OC)c(OC)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 100388129 XPTKRQDAQBDANL-MUUNZHRXSA-N 576.698 4.848 0 40 KJAB CCN1/C(=c2/s/c(=C3/C(=O)N(c4ccccc4)C(=S)N3c3ccccc3)n(CC)c2=O)Sc2ccccc21 100500534 JEZLYQOSZHARRD-JTFGNLGHSA-N 556.738 4.574 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1 100884537 DPIILNZNFWKIJH-VPBXCIAMSA-N 529.390 4.730 0 40 KJAB CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N12)C(=O)Nc1cccc(OC)c1 101385655 UORHVRGGNZEKEG-FQLXRVMXSA-N 624.767 4.933 0 40 KJAB CCCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H]4C[C@@H](C3)Cn3c4cccc3=O)cc2)cc1 102621697 JCIDDKPFFUWEPV-UPVQGACJSA-N 549.693 4.868 0 40 KJAB CCC[C@H](CNC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc(Cl)cc1Cl 102985863 RMFLGPVEQHUTHB-GOSISDBHSA-N 553.464 4.922 0 40 KJAB COc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)N(Cc2cccnc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 103549974 QVDHWZSUQLCLBM-MUUNZHRXSA-N 569.017 4.682 0 40 KJAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)CC1 108090821 WVWHEYMAJWLEJB-UHFFFAOYSA-N 503.068 4.560 0 40 KJAB Cc1ccc(-c2csc(NC(=O)CSc3nnc([C@H](C)NC(=O)c4cccc(C)c4)n3C)n2)cc1 147114869 UYDBYFLDJDNHBK-KRWDZBQOSA-N 506.657 4.777 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 163544315 YZUXCTVMNUMHJD-HZHYMEEXSA-N 670.500 4.784 0 40 KJAB O=C(O)COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccc(I)cc2)C1=O 205771095 BCLUQXKNMPEUOR-LZYBPNLTSA-N 574.190 4.754 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 222615824 IGUOSYSYZSFKDC-MHZLTWQESA-N 539.673 4.661 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl 222733107 CSQSSHRFJMEGFV-FQEVSTJZSA-N 552.137 4.535 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 222850477 QVLGMSAPQDGJOZ-HHHXNRCGSA-N 618.569 4.767 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c2cc(Cl)ccc2OC)cc1OC 223172023 GNIREJDTPKXUFF-SFHVURJKSA-N 559.084 4.927 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1cc(OC)cc(OC)c1 223352763 MDAUHBIWRJYJLW-MUAVYFROSA-N 518.654 4.946 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223411575 AURAADVOSVJTHN-SSEXGKCCSA-N 573.690 4.797 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 223428688 CBMTYWNBZYJVHF-QFIPXVFZSA-N 572.127 4.878 0 40 KJAB CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223533100 IXCLRLJHFDRWRS-WJOKGBTCSA-N 577.747 4.755 0 40 KJAB 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CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 224685768 WJEXKGITLSQXSH-QFIPXVFZSA-N 542.101 4.787 0 40 KJAB CSc1cccc(N(Cc2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1 224805075 OPOYSLCTPKUVKF-UHFFFAOYSA-N 505.061 4.837 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 224840488 IDUTYSJSCKSPRN-DEOSSOPVSA-N 556.556 4.974 0 40 KJAB CC[C@H](C(=O)NCc1ccccc1CN1CCCCC1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 224845604 QDQCQLZVYUDVOZ-HSZRJFAPSA-N 512.503 4.840 0 40 KJAB COc1ccc(OCCNC(=O)CCCN(c2ccccc2Sc2ccccc2)S(C)(=O)=O)cc1 224876359 FYSHXRSVRKSMKO-UHFFFAOYSA-N 514.669 4.588 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 224981693 ZGANWRUPPNOIBO-OAQYLSRUSA-N 602.551 4.597 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 225027925 SZQBZGZTFDREFU-DNQXCXABSA-N 551.709 4.885 0 40 KJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1CCCN1CCOCC1 225040700 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CCSc1nnc2c(n1)O[C@H](c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(Br)cc1-2 684862 INZCSXFCMHPFFT-OAQYLSRUSA-N 517.405 4.874 0 40 KJAB CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)n21 883831 ITOJXMQNNBZEGS-UHFFFAOYSA-N 525.700 4.532 0 40 KJAB COc1ccc(NC(=O)CSc2nnc(CNc3ccc(C)c(Cl)c3)n2C[C@@H]2CCCO2)cc1 915553 POVZLARJGZIRKO-FQEVSTJZSA-N 502.040 4.770 0 40 KJAB CC[C@@]1(C)Cc2c(sc3nc(SC)n4c(SCC(=O)NCCc5ccccc5)nnc4c23)CO1 2210623 RFDVWUDXYAWRIX-DEOSSOPVSA-N 513.714 4.753 0 40 KJAB COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 2444671 GJIVXOZWJYHNBE-UHFFFAOYSA-N 517.611 4.853 0 40 KJAB CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)cc12 3280703 NTCHTBMTDMHTDG-IBGZPJMESA-N 510.546 4.765 0 40 KJAB COC(=O)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Br)cc1 3457067 AHZLUPHKQPSSNK-UHFFFAOYSA-N 503.422 4.969 0 40 KJAB CCOC(=O)c1sc(NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)c(C(=O)OCC)c1C 6547901 NEVQJHHHOFYKDP-UHFFFAOYSA-N 522.579 4.578 0 40 KJAB COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(Cc4cc(C)ccc4C)c3=O)cc2)cc1OC 8648280 MSFOGTGFPYAWSO-UHFFFAOYSA-N 577.681 4.866 0 40 KJAB biogenic Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c(C)c1 10314879 XAPKUHPPYIHVSX-NRFANRHFSA-N 529.684 4.514 0 40 KJAB COc1ccc(-c2cn3c(C(=O)Nc4ccc(S(=O)(=O)Nc5nccs5)cc4)csc3n2)cc1 11902251 ZKINKAJBRNWNLS-UHFFFAOYSA-N 511.610 4.581 0 40 KJAB CCS(=O)(=O)c1ncc(N(Cc2ccc(F)cc2)Cc2ccco2)c(C(=O)Nc2ccc(F)cc2)n1 11915183 ISQYNTYGVGNOCP-UHFFFAOYSA-N 512.538 4.601 0 40 KJAB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)c1cc(C)n(Cc2ccco2)c1C 12565001 ZNKIETCSBSRIMN-JOCHJYFZSA-N 503.020 4.677 0 40 KJAB C[C@H]1CCc2c(sc3ncnc(OCC(=O)Nc4cc(C(F)(F)F)ccc4N4CCOCC4)c23)C1 13147698 PSUKKHJCNXUVBQ-AWEZNQCLSA-N 506.550 4.689 0 40 KJAB Cc1cc(C(=O)COC(=O)c2cc(Br)c(Br)s2)c(C)n1C[C@@H]1CCCO1 14358889 BEQMFRDQPIHCSD-LBPRGKRZSA-N 505.228 4.910 0 40 KJAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N(Cc1ccccc1)Cc1ccco1 19973399 VXBBXMUVDRIUAV-AREMUKBSSA-N 526.597 4.773 0 40 KJAB Cc1ccccc1[C@H](NC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)c1ccccc1 20047168 DVEWBIGDZPJXRH-FQLXRVMXSA-N 512.631 4.998 0 40 KJAB CC(=O)Oc1ccc2c(C)c(CC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)oc2c1 20590726 GFYNAOQQAAWOGP-UHFFFAOYSA-N 510.590 4.503 0 40 KJAB O=C(c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=S)[nH]c2c1)N1CCN(Cc2ccccc2)CC1 20645618 VOQHGRYONNZIIM-UHFFFAOYSA-N 505.043 4.719 0 40 KJAB COc1ccc([C@H](C)NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 22232384 YRGUSMLVZDTFRB-SFHVURJKSA-N 503.020 4.571 0 40 KJAB CC(C)(C)NC[C@@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 49774752 WMBNVWVJUNVWED-CQSZACIVSA-N 548.206 4.753 0 40 KJAB COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCCN4Cc4cc(OC)c(OC)c(OC)c4)n3)cn2)cc1 67879656 RIPJGMSTFXKJEO-QFIPXVFZSA-N 545.596 4.755 0 40 KJAB biogenic,in-vitro COc1ccc(OC)c([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)c1 100363784 BAASIIVPQLWOEA-PMERELPUSA-N 541.652 4.668 0 40 KJAB CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)[C@@H](NC(=O)Cc1cccc2ccccc12)C(C)C 102778056 DJEXABVZLZALMN-SANMLTNESA-N 536.650 4.821 0 40 KJAB O=C(Nc1ccccc1C(=O)O)C(=O)[C@H](C(=O)c1ccccc1-c1ccccc1)[C@H]1OC(=O)c2ccccc21 103010060 LAHGJCLPEBQCAA-LSYYVWMOSA-N 519.509 4.970 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc4ccccc34)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 109347929 UFEHTQRMBZRWLA-RGFRMHDHSA-N 542.657 4.747 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222718447 OCQFZWNMCMMYLT-QFIPXVFZSA-N 539.673 4.661 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 222854682 WFARSGFVFMBMJX-LJAQVGFWSA-N 565.736 4.839 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 222997299 RLCYKMFSRSWIPD-NRFANRHFSA-N 602.551 4.515 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 223099802 PJLJHVHYBPJMAM-RUZDIDTESA-N 565.736 4.923 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223248118 SRNKIZADDWTTBU-AREMUKBSSA-N 576.546 4.844 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 223262207 AULICBDAQQYPBU-NRFANRHFSA-N 651.542 4.959 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223496405 QTGIUTCEOXWHNO-QFIPXVFZSA-N 632.179 4.895 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(CC)cc1Br 223502616 PHNDWOBDFXLUGO-SFHVURJKSA-N 505.453 4.733 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 223553587 NSJVCXZRMZYPSG-OAQYLSRUSA-N 572.525 4.506 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 223661653 BUKWTUOGKRXTBQ-VWLOTQADSA-N 592.545 4.544 0 40 KJAB COc1ccc(CCCNC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)cc1OC 223733891 QXISPIWYXBEZNV-UHFFFAOYSA-N 510.656 4.649 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 224200991 HHPIPOUZEACTJJ-LJAQVGFWSA-N 565.736 4.841 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 224228746 ZHHRSJWCWGEGOO-MHZLTWQESA-N 535.710 4.751 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 224374961 YCEULIHXJJUOCF-AREMUKBSSA-N 576.090 4.627 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 224431411 CTBPKDVTSNLECX-HSZRJFAPSA-N 542.529 4.792 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)[C@@H](C)C(=O)NCC(C)C)cc1 224466629 CQSUVCLOTCHFKY-VWLOTQADSA-N 625.788 4.714 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 224539257 ICJNUDOTMFJKSZ-MUUNZHRXSA-N 569.699 4.609 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 224616258 JUBNQFOXOPXKFM-QFIPXVFZSA-N 542.101 4.786 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 224648291 QPQSQWHWHFBRCP-HXUWFJFHSA-N 590.515 4.725 0 40 KJAB CCCc1ccc(OCCNC(=O)c2ccc(CN(c3ccccc3OCC)S(C)(=O)=O)cc2)cc1 224701753 OZWKSGPGHQYEEY-UHFFFAOYSA-N 510.656 4.813 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224828871 SPYTWDVTYJNAOG-LJAQVGFWSA-N 549.737 4.543 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 224972259 HHUGUEMJYCAZJR-LJQANCHMSA-N 542.529 4.792 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 225017283 NJZNCMKMYNTQET-JOCHJYFZSA-N 602.153 4.804 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 225150564 XMDNBENDGKBPFA-FGZHOGPDSA-N 602.153 4.885 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](CC)C(=O)NC1CCCCC1)S(C)(=O)=O 225169604 PMZPWKCQSVVWNF-DEOSSOPVSA-N 564.148 4.761 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225201556 OWTVQGRZTUVBEF-RTBURBONSA-N 542.529 4.872 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 225292282 XYLXCXOASIXNCE-HXUWFJFHSA-N 578.946 4.755 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 225474744 KLLAJPMIVWVGIJ-WNCULLNHSA-N 641.787 4.638 0 40 KJAB CSc1nnc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)s1 225604448 KHDAODOIZQHMSO-UHFFFAOYSA-N 503.458 4.709 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 225755905 UJVPSKATXMYGBG-FUFSCUOVSA-N 625.788 4.938 0 40 KJAB Cc1ccccc1OC[C@H](C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1 225792344 ROWHCHMJNOWFBJ-KRWDZBQOSA-N 503.045 4.819 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@@H]3C=Cc4ccccc4N32)cc1Br 229611024 DENQBTIWMONPDN-QVQNZMNRSA-N 547.380 4.870 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)c2ccc(F)cc2)cc1 260771685 WZGOKQFMCZHCGN-HSZRJFAPSA-N 569.699 4.670 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260778723 IPBMHAOTTGCQRA-LJQANCHMSA-N 554.540 4.934 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 260787297 LBVXDYHWVVUMNC-GOSISDBHSA-N 600.565 4.643 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 260795584 NLYJSNGYGQSDMO-JOCHJYFZSA-N 597.709 4.514 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)C)c2ccccc2OC)cc1 260860089 HNWWGFSMLLULCO-OAQYLSRUSA-N 632.577 4.604 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 260866023 AKYGNUDVYAHPHP-CPJSRVTESA-N 536.138 4.952 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 260875017 BKUVUBICBBMERH-CUBQBAPOSA-N 595.762 4.664 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 261091301 UBZBFKGBMYEROH-YADHBBJMSA-N 557.663 4.801 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2 408630177 OUHGGJHMATVGIU-UHFFFAOYSA-N 558.678 4.573 0 40 KJAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCSCc3ccc(Cl)c(Cl)c3)CC2)c1 408695656 SPTPWUIDZLTEKH-UHFFFAOYSA-N 515.528 4.893 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3OC)c(=O)n2[C@@H]1c1ccccc1Cl 408835114 MLNSVKHQXJLEKS-JZVSFUAJSA-N 629.303 4.718 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 408915175 PLSXTFXDRHUSAP-HVUZKSCUSA-N 567.088 4.668 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 408928248 YKVFRVHODMWQKV-ASZNLBCTSA-N 558.631 4.525 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409096145 JOIBVSDIXCHGLM-WZLQQZPBSA-N 580.504 4.621 0 40 KJAB O=C(Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S)Nc1ccc(I)cc1 409175533 SFLPQDIBTYNEAJ-UHFFFAOYSA-N 521.380 4.907 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)OC 409177530 GTTVSRJUFDAQNQ-DJKKODMXSA-N 644.871 4.879 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2F)C1=O)Nc1ccccc1N1CCOCC1 409205411 QEBYSUWSFGJFPS-YZSQISJMSA-N 547.608 4.916 0 40 KJAB CCCN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)C1=O 409238802 LJCPZYLRSSNAOF-LDADJPATSA-N 505.390 4.922 0 40 KJAB O=C(O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1I 409240581 GZMLDPJYUORJSO-VIZOYTHASA-N 698.660 4.688 0 40 KJAB Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(Cc3ccc(OCCn4c(=O)n(C)c5ccccc54)cc3)C2)c1 585271585 ASAKXWMNYSGSST-SSEXGKCCSA-N 536.072 4.787 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3cc4ccccc4[nH]3)CCO2)C1=O 643556749 PNAJUNPWFDHZSQ-SSEXGKCCSA-N 503.643 4.813 0 40 KJAB Cc1nc(N2CCC(C)CC2)ncc1C(=O)N1CCC2(CCCCc3ccccc3OC[C@H](C)NC2=O)CC1 643562868 SXXPYIKTURXYHC-QHCPKHFHSA-N 533.717 4.554 0 40 KJAB Cc1cc(NC(=O)c2cccc(NC(=O)C=CCN(C)C)c2)ccc1Nc1nccc(-c2cccnc2)n1 1857741842 GJFCSAPFHAXMSF-UHFFFAOYSA-N 507.598 4.899 0 40 KJAB O=C(CN1CC[C@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3)Nc1nc2ccc(Cl)cc2s1 2037879343 PXMUAPBSEUUMFW-VXQMPNGUSA-N 636.218 4.569 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)c(C)c3)cc2)cc1 674598 VLWZOZCUOQNEIW-UHFFFAOYSA-N 519.417 4.975 0 40 KJAB COc1ccc(NC(=O)[C@@H]([C@@H]2CC=CCC2)N(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)c(OC)c1 1419145 WMQPPUMZHPAZMF-IIMAJNMQSA-N 557.626 4.980 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3NS(=O)(=O)c3cccs3)cc2)cc1 3292903 BRWJGTMUCXFWKW-UHFFFAOYSA-N 527.649 4.910 0 40 KJAB CCOc1ccc(-n2c(SCC(=O)NCC(F)(F)F)nnc2-c2ccc(Br)cc2)cc1 3332343 ILGICBRMALCGJW-UHFFFAOYSA-N 515.355 4.866 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(Br)c(Br)s1 6088993 ZXYCRJZOGLQPDL-UHFFFAOYSA-N 523.253 4.783 0 40 KJAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN(c4cc(Cl)ccc4C)CC3)cc2c1 6280610 HMWRZTBBVAINPA-SANMLTNESA-N 534.064 4.512 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4ccccc4I)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 8401292 CNJPJXNXILQYMS-ASZNLBCTSA-N 710.546 4.639 0 40 KJAB CC(=O)Oc1cccc2c1N1[C@@H](C=C2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]1C(=O)c1ccccc1 8997228 TXWBUKOFJYRADF-GEMTWJNPSA-N 512.949 4.538 0 40 KJAB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)cc1 13752287 DXICENRIOINOKU-UQQQWYQISA-N 505.603 4.926 0 40 KJAB Cc1cccc2c(=O)n(CCCC(=O)Nc3nc(-c4cc(C)n(C[C@H]5CCCO5)c4C)cs3)cnc12 14115568 YAQYEBUQPGIHTB-HXUWFJFHSA-N 505.644 4.845 0 40 KJAB Cc1ccc(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2C(=O)O)c(Cl)c1 16285079 ULJUGIZHPAEOBZ-UHFFFAOYSA-N 506.603 4.998 0 40 KJAB COc1ccc(CNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 20234769 FCGJGBPOQJIWNA-UHFFFAOYSA-N 512.937 4.879 0 40 KJAB Cc1ccccc1CN1c2ccccc2-c2nc(SCC(=O)Nc3ccccc3)ncc2S1(=O)=O 20582633 JOJMDPIJHFHLDE-UHFFFAOYSA-N 502.621 4.892 0 40 KJAB COc1ccc(C)cc1N(CC(=O)Nc1ccccc1Br)S(=O)(=O)c1ccc(C)cc1 22277387 RTBDYOAIVGDXJL-UHFFFAOYSA-N 503.418 4.909 0 40 KJAB O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(-n2ccnc2)cc1 22429974 IFQKYROKHMNVGH-UHFFFAOYSA-N 515.422 4.691 0 40 KJAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 32966555 WTESAGMOVONOBN-UHFFFAOYSA-N 516.347 4.962 0 40 KJAB Cc1cccc(N(Cc2ccc(C(=O)NCc3ccc(CN4CCCCC4)cc3)cc2)S(C)(=O)=O)c1 44874556 VJGXTVJOELFVCE-UHFFFAOYSA-N 505.684 4.877 0 40 KJAB CSCC[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)NCCC1=CCCCC1 70705136 NKLVWGGNNGESFC-HPUNYJORSA-N 556.732 4.882 0 40 KJAB biogenic CSCC[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccccc1Cl 70706011 SRQHKBSGKWWBPE-NSVAZKTRSA-N 573.118 4.846 0 40 KJAB biogenic CCOc1ccc2[nH]c(SCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC)cc3)nc2c1 98007984 JNDJOJUUJRBQDB-MHZLTWQESA-N 566.705 4.603 0 40 KJAB CCCOc1c(I)cc(/C=C2\N=C(c3ccc4c(c3)OCO4)OC2=O)cc1OCC 100936072 NYGSDAWXMIHMCU-SXGWCWSVSA-N 521.307 4.552 0 40 KJAB CCCCOc1ccc(N2C(=O)C[C@H](N(Cc3cn(C)nc3C)C(=S)Nc3ccc(N(C)C)cc3)C2=O)cc1 101531609 IUYGOHBLNFIADE-SANMLTNESA-N 548.713 4.505 0 40 KJAB O=C(CCCn1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O)NCc1cccc(Cl)c1 102749560 DRDFKDQJTWDMCT-UHFFFAOYSA-N 535.069 4.555 0 40 KJAB COc1ccc([C@]2(C)C(=O)N(Cc3cnn(-c4ccccc4)c3)C(=O)N2Cc2cnn(-c3ccccc3)c2)cc1 103003787 VXFKZWBVFRLMMC-WJOKGBTCSA-N 532.604 4.946 0 40 KJAB CCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1 108948999 UDCOHMNHVJKERF-KDSDTBODSA-N 504.652 4.711 0 40 KJAB Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)S(=O)(=O)N(C)C)c1 113490462 PFMLNFAFERNNDV-UHFFFAOYSA-N 585.535 4.663 0 40 KJAB Fc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN([C@H](c3ccc(F)cc3)c3nnnn3CCc3ccccc3)CC2)cc1 150385811 CMJIBJZMPHBLDP-KKLWWLSJSA-N 646.750 4.920 0 40 KJAB COc1cc(OC)cc(OCC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 222538193 SNCSBRXCCYZUDU-GDLZYMKVSA-N 518.654 4.803 0 40 KJAB CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(Cl)cc2)cc1 222672383 YYCSPHUXNQTFRY-SFHVURJKSA-N 531.030 4.583 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 222805121 JECASMYMGOPZDC-SANMLTNESA-N 576.546 4.762 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 222809033 RTUQSIXGZRQLRP-AREMUKBSSA-N 602.153 4.885 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](Cc2ccccc2)C(=O)NC)S(=O)(=O)c2ccccc2)cc1 222861241 QTIMCDIKTDBCGA-YTTGMZPUSA-N 599.753 4.839 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 223062897 LCSRUGUFMFBHDF-FQEVSTJZSA-N 620.541 4.736 0 40 KJAB O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NCCOc1ccccc1 223536804 BFPIRNRNWSRWRS-UHFFFAOYSA-N 512.937 4.749 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 223560246 MIUAMFLVXNCJIY-SKCUWOTOSA-N 616.180 4.678 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223565443 GFEOVZZIDFNLKO-VWLOTQADSA-N 636.996 4.653 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223938102 PJDBQAUWBQTFCD-CYBMUJFWSA-N 555.311 4.620 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 223967933 UMGIKDCRSYRWSL-KRWDZBQOSA-N 530.452 4.846 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 224031589 QZSYDYJSEVULSL-HNNXBMFYSA-N 548.920 4.745 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224274613 ZSTYZTMPWDBZND-DEOSSOPVSA-N 546.064 4.618 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(C)(=O)=O 224421840 SGCLQTKDSZNJDU-QHCPKHFHSA-N 540.513 4.626 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224668532 WLVMRIPQRSKTIM-IBGZPJMESA-N 538.085 4.501 0 40 KJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2c(C)[nH]c(C)c2I)c(OC)c1 224796542 FEJXADIGWJVYJA-SFTDATJTSA-N 534.423 4.825 0 40 KJAB C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccccc1 224825671 WTZOJXSSJKMBDN-OAHLLOKOSA-N 542.042 4.736 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 224840530 IDUTYSJSCKSPRN-XMMPIXPASA-N 556.556 4.974 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc2c(c1)OCCO2 224931644 WPZHHTACNBUFML-LJAQVGFWSA-N 640.202 4.966 0 40 KJAB CCn1c(=O)sc2cc(NS(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccc(Cl)cc3)ccc21 225128728 UOJSSSJHBJNRNS-UHFFFAOYSA-N 532.068 4.962 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O 225336987 UANQEVKRVGLNCT-IAGOWNOFSA-N 518.441 4.702 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 225347895 UJZSCOCPSGQIDK-OAQYLSRUSA-N 640.371 4.698 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 225733337 FCKMXJRUVGSZEK-KSFYIVLOSA-N 546.492 4.621 0 40 KJAB CC(C)c1nc(Cc2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc5ccccc5c4)C3)cc2)no1 226089214 UAWUOLPWMOYBCL-HSZRJFAPSA-N 518.639 4.976 0 40 KJAB Cc1cc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)ccc1Br 260717226 FPFXSZIYKCTHTG-MRXNPFEDSA-N 593.371 4.772 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c2ccccc2)cc1 260813951 UFPBLPYDSNLBAX-RUZDIDTESA-N 577.747 4.799 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 260860244 HVGXAKZNPFXGMI-JOCHJYFZSA-N 586.552 4.895 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c1ccccc1 260878665 BUIFCHOUGTUYAT-RPWUZVMVSA-N 581.735 4.621 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O 260908852 PXFXSPSZSBNTIX-GOSISDBHSA-N 542.529 4.511 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 260988826 CFQZKEHABIMJIL-NGQVCNFZSA-N 597.753 4.935 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 260999058 RGNFMPKYNROOLB-PKTZIBPZSA-N 539.673 4.661 0 40 KJAB O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl)NCc1ccccc1Cl 408563666 WHMFVOUBGJXYTJ-UHFFFAOYSA-N 505.423 4.830 0 40 KJAB COc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1NC(=O)c1ccc(Cl)cc1 408597231 UGUIDUDZAXCMFM-UHFFFAOYSA-N 514.047 4.729 0 40 KJAB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)Nc1ccc(Oc2ccccc2)cc1 408675687 BOIBQHQKXVMADK-IHKGIWLBSA-N 510.546 4.810 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408768116 BXBAKJNEIBBNNO-WNOSOOIWSA-N 752.343 4.990 0 40 KJAB COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C(C)C)c(OC)cc4C)c(=O)n32)c1 409017237 LRXCLVMOSISWLQ-YRSDHNRQSA-N 564.704 4.644 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409048321 WETASLUHOSBTPL-KGMZJGMTSA-N 708.425 4.582 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc(Br)c1O 409152485 BFNOZHQPYBCTEX-RQZCQDPDSA-N 523.430 4.950 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)OC 409158771 YXNGLYCWQXYQPQ-ZDLGFXPLSA-N 583.844 4.728 0 40 KJAB CCCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2N2CCOCC2)C1=O 409204586 ARKCWJJLZJKUBZ-PXLXIMEGSA-N 560.470 4.750 0 40 KJAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)c(Cl)c2)C1=O 409238736 LSYCQHWCTQVBDO-OEAKJJBVSA-N 533.968 4.711 0 40 KJAB COc1cc(Br)c(Br)c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1O 409256334 NTQDHPMSGSWFJQ-CHHVJCJISA-N 556.232 4.909 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(C(=O)OC)c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 409333596 IAZZWXDPIZBMOL-FUFNRSNVSA-N 637.110 4.906 0 40 KJAB O=C(COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1Br)N1CCOCC1 409378325 NWZRFYIWJMUCQF-NDENLUEZSA-N 551.846 4.577 0 40 KJAB Cc1cc(OC[C@@]2(CC(=O)N3CCCCC3)CN(C(=O)CCOc3ccc(F)cc3)CCO2)ccc1Cl 585287624 ZROOSRWMBKPAMK-MUUNZHRXSA-N 533.040 4.636 0 40 KJAB COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C[C@@H]1C[C@H]3OC(C)=O 2038184415 GVIZCQOBODPSLY-RCKMVRKESA-N 504.664 4.887 0 40 KJAB 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CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 225079461 LRSVIAMYQLYLOS-AREMUKBSSA-N 548.149 4.979 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 225148455 KXDAQSIBVQFKPW-FCHUYYIVSA-N 572.127 4.876 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 225156215 DEFDWFHMFTZSID-QFIPXVFZSA-N 600.137 4.640 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225182328 HAGWVYQMOBBGRC-QHCPKHFHSA-N 599.725 4.680 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225267312 DRRSAEWDBQVREF-NDEPHWFRSA-N 629.751 4.771 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O 225273433 VTUDFISYWFMZRM-DLBZAZTESA-N 518.441 4.702 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 225323426 OXSHSVDCIGJMSN-JKSUJKDBSA-N 593.371 4.854 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 225521152 GXGLYBMYVVUGIO-SHQCIBLASA-N 529.747 4.880 0 40 KJAB COc1ccc(CSCC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NCC(C)C)cc1 225711891 WRCSHSWVPZLWII-GOSISDBHSA-N 507.494 4.880 0 40 KJAB C[C@H](OC(=O)c1cccnc1S[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 245285128 VYFYCASABKWRPC-JNXQPBJVSA-N 517.736 4.989 0 40 KJAB O=C(NS(=O)(=O)c1ccccc1Br)c1cccc(Br)c1OCc1ccccc1 257203369 APRWEKZUTYJESK-UHFFFAOYSA-N 525.218 4.909 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)Oc3ccc(C)cc32)cc1 260894835 FXOUIIYREBAPJQ-JOCHJYFZSA-N 506.502 4.797 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c(OC)c1 260907852 XEVKYOKQAHZOFU-HHHXNRCGSA-N 636.598 4.941 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 260936444 YRFLYZRUTUGUSK-LJQANCHMSA-N 542.529 4.566 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccccc1 408623051 XPLGHQPZGFMGAV-UHFFFAOYSA-N 504.992 4.590 0 40 KJAB C[C@@H](c1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(Br)cc3)cc2C1=O 408689556 SEZGJGPQNCHHOL-HNNXBMFYSA-N 507.340 4.602 0 40 KJAB COC(=O)c1cc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cc(C(=O)OC)c1 408702330 BJWYOOWXYLZTAA-VWLOTQADSA-N 539.009 4.940 0 40 KJAB O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408714412 QDCFUKFOILOPRG-GOSISDBHSA-N 564.457 4.903 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(F)cc1 408807324 HCHLJINHXLBKPE-WQGOWEKJSA-N 510.590 4.740 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2cc3c(cc2Br)OCO3)C1=O)Nc1cccc(C(F)(F)F)c1 408869682 SYFDAXVZTBKUFX-BNCCVWRVSA-N 529.290 4.872 0 40 KJAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(OCC)c(OCC(=O)Nc3ccccc3)cc2Br)C1=O 409011109 MCGWODQQQCAYAR-NGZBARDMSA-N 577.453 4.853 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(I)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409026835 ZJEOEBUGFHILRV-UHFFFAOYSA-N 596.443 4.541 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4Cl)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409050680 YMGGTJUDWSGQRS-VKSQQWFDSA-N 677.175 4.981 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)Cc2ccc(Cl)cc2Cl)cc1 409064964 RHUXPEUICHMPLW-UHFFFAOYSA-N 590.529 4.566 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)sc2c1CCCC2 409115449 MHUJPJXRGPBSLX-UHFFFAOYSA-N 538.997 4.881 0 40 KJAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cn(CC(=O)NCc2ccco2)c2ccc(Br)cc12 409123320 GDZIAMNSCYIZIV-FMCGGJTJSA-N 549.450 4.918 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c2ccccc2F)cc1 409142998 YKZAEALYVMEWPJ-UHFFFAOYSA-N 545.636 4.941 0 40 KJAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 409250446 LWMHWNOOSHTGNZ-UHFFFAOYSA-N 556.128 4.587 0 40 KJAB Cn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1c(F)cc(F)cc1Br 409354178 ZPYJLRCEZMBPCR-UHFFFAOYSA-N 565.227 4.823 0 40 KJAB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2cccc3ccccc23)cc1 409381375 FSRALHMKKPPVBE-FTJBHMTQSA-N 511.530 4.931 0 40 KJAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)c1OCc1ccccc1F 409398852 DVUVAQOVJJFSML-JAIQZWGSSA-N 528.920 4.929 0 40 KJAB Cc1ccc(-c2csc(NC(=O)CN3CC[C@@H]4NC(=O)[C@@H](Cc5ccccc5)NC(=O)C5(CC=CC[C@H]4C3)CCOCC5)n2)cc1 1615125237 FGUAAIWISDINDC-OIFRRMEBSA-N 641.838 4.738 0 40 KJAB CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc3c(c2)OCO3)cc1 933623 DHWHRYILUOCQEW-UHFFFAOYSA-N 574.696 4.899 0 40 KJAB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)Nc1cc(C(F)(F)F)ccc1Cl 941764 GXCGPOQKAZWYDT-NRFANRHFSA-N 530.886 4.748 0 40 KJAB COc1ccc(-n2c(N)c(C(=O)Nc3cc(C)nn3-c3ccccc3)c3nc4ccccc4nc32)cc1OC 2352224 VWFOHEDPNNNFRE-UHFFFAOYSA-N 519.565 4.920 0 40 KJAB CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)N(Cc1ccccc1)C(C)(C)C 3289194 OWLHOWJIFBIXDJ-UHFFFAOYSA-N 528.605 4.866 0 40 KJAB COc1ccc(-c2cc(-c3nnc(COC(=O)[C@H]4COc5ccccc5O4)o3)c3ccccc3n2)cc1OC 3307759 WZJRKODHXFQSCN-AREMUKBSSA-N 525.517 4.852 0 40 KJAB CC[C@@H](C)NS(=O)(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 6631954 PYNXRHWWDOEBTE-IPBJYNAHSA-N 602.761 4.732 0 40 KJAB CCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)NCc4cccs4)C(=O)N23)cc1 8608396 KPRPYHHQOFETCC-QHCPKHFHSA-N 561.689 4.574 0 40 KJAB CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc23)c1 8693991 PEHVQDUOAIDAOO-UHFFFAOYSA-N 568.449 4.710 0 40 KJAB Cc1ccc(NC(=O)CSc2nnc(CCNC(=O)c3ccc(Cl)c(Cl)c3)n2C)cc1Cl 9261893 IQKAGHDDGCKTNT-UHFFFAOYSA-N 512.850 4.787 0 40 KJAB Cc1cccc(CCCNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1 10110657 VTQYTVISUWHTRQ-UHFFFAOYSA-N 501.446 4.702 0 40 KJAB CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(=O)c3ccc(Br)cc3)scc12 11757986 QUAOJUFPPZCXQR-UHFFFAOYSA-N 528.384 4.647 0 40 KJAB COc1ccccc1-c1nnc(SCC(=O)NC[C@H](c2ccccc2)N(C)C)n1CCc1ccccc1 12530931 XWPRTJOBAZQMMA-RUZDIDTESA-N 515.683 4.708 0 40 KJAB COc1ccc(OC)c([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)c1 13029879 IUMGFXBBCPBTDR-LJAQVGFWSA-N 527.625 4.590 0 40 KJAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@H]3C2=O)c1 13512382 OOMMYEXRWKFMJF-VSKRKVRLSA-N 517.994 4.912 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(C(=O)CCC(=O)Nc1cc(C)on1)C(C)(C)CC 13561507 HETDXUFGEFQGKC-XMMPIXPASA-N 530.666 4.782 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)c1C 13612162 YEYZSQFQZJVTLZ-UHFFFAOYSA-N 504.967 4.798 0 40 KJAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 20014293 MHJQKBQAABPLMQ-SFHVURJKSA-N 503.020 4.738 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2Cl)c2ccccc2)cc1 20239328 YYXLRZRUGOHABQ-UHFFFAOYSA-N 505.061 4.594 0 40 KJAB COc1ccc(CN2CCN([C@H](c3cc4cc(C)c(C)cc4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)cc1 22870234 PMBWLZLTWYOWKD-GDLZYMKVSA-N 541.700 4.552 0 40 KJAB COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1 35780844 OZMFPBQOYXWXSU-MTTNDXRRSA-N 511.615 4.638 0 40 KJAB biogenic O=C(NCCCc1ccccc1Cl)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 44903137 FYLYUTIWHCLPIU-UHFFFAOYSA-N 503.879 4.938 0 40 KJAB COc1ccc(-c2noc(-c3c(SC)nn(CC(=O)Nc4ccc(C(C)C)cc4)c3N)n2)cc1OC 46914784 PIDYKURXAOHEEJ-UHFFFAOYSA-N 508.604 4.684 0 40 KJAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 59833914 NAMUYUIDBXPARV-MHZLTWQESA-N 546.645 4.811 0 40 KJAB CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3cccc(C)c3)C2)c1 79112284 MYZDDZKTKAMLOK-XMMPIXPASA-N 518.060 4.950 0 40 KJAB COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 96114562 HNNWFYXKKDGTBC-QGZVFWFLSA-N 506.507 4.592 0 40 KJAB biogenic COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(F)(F)F)o3)c(=O)n2[C@@H]1c1ccccc1 97961853 RWZNHJCHDXVELP-XOYGFPHKSA-N 524.520 4.687 0 40 KJAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 97963928 HTPPZAFZGKCFFW-HXOBKFHXSA-N 538.508 4.880 0 40 KJAB COc1ccccc1NC(=O)[C@]12C(=O)Oc3ccccc3[C@@H]1[C@@]2(C)C(=O)c1ccc(Br)cc1 100167531 LBNPGPOZWDHUNJ-NYMACZPPSA-N 506.352 4.988 0 40 KJAB COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(NC(=O)CSc2nc3ccccc3[nH]c2=O)cc1OC 100241184 CZFMOYHCYVIURH-UHFFFAOYSA-N 572.643 4.827 0 40 KJAB CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 100331682 YZXHZUHSJNGNKH-UHFFFAOYSA-N 548.617 4.674 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)c(OC)c1)N(CCc1ccccc1C)C(=O)Cn1nnc2ccccc21 100356013 ZTDSQACVAHIJML-SSEXGKCCSA-N 557.695 4.874 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2F)c(OC)c1 100363716 YJPLAZRADBRTMB-LJAQVGFWSA-N 545.615 4.811 0 40 KJAB CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)CC1 102284766 NXHSZSXCFDZULX-UHFFFAOYSA-N 545.492 4.749 0 40 KJAB CCCCn1c(S)nc(=O)c([C@@H](c2ccc(OC)c(CN3CCCCC3)c2)c2c(O)nc(S)n(CCCC)c2=O)c1O 102860333 NXFRCAJYYFRYSL-QFIPXVFZSA-N 615.822 4.564 0 40 KJAB CCN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)C[C@@H](C)C2)[C@H]1CCS(=O)(=O)C1 103135530 VICSLHRZPJOTPX-WHGHPFQDSA-N 562.688 4.559 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3c(C)n(C)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 103787133 TXMZNMAEMYAONS-WLJFKGHSSA-N 559.997 4.794 0 40 KJAB COc1ccc(OC)c(N(CC(=O)NCCSc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 106006686 DXWVOLNYPKKTSM-UHFFFAOYSA-N 535.087 4.769 0 40 KJAB COc1ccccc1C(=O)COC(=O)c1cccnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 215728101 KXEHOLBNZXJPFY-UHFFFAOYSA-N 520.485 4.759 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 222509815 STPLKCLWNOLXDU-RBJSKKJNSA-N 595.762 4.930 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 222634838 CXJIOYSJAWGJMK-MHZLTWQESA-N 600.579 4.690 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)cc1 222803569 PAPJGQYELPIWBT-NDEPHWFRSA-N 614.606 4.936 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 222924370 DMKIBNNZSBHCQE-MHZLTWQESA-N 647.579 4.861 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 223023916 FBKJOSHOZXPCMV-MUUNZHRXSA-N 535.710 4.669 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 223024182 IJUUSYMUUWHMSP-HSZRJFAPSA-N 539.673 4.663 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 223099974 AMALLVQGOSFRCF-XZOQPEGZSA-N 599.725 4.679 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1OCC)S(C)(=O)=O 223233046 YTOJJAWYQFCRKQ-NRFANRHFSA-N 552.137 4.619 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 223389674 GKCSPAGGYBTBHU-NEKDWFFYSA-N 570.155 4.969 0 40 KJAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2c(C)[nH]c(C)c2I)cc1 223410710 GOCHDDMKMQVNJB-RTWAWAEBSA-N 518.424 4.812 0 40 KJAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 223482210 KLSUPQXSQLRJFQ-HHHXNRCGSA-N 556.128 4.748 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 223629115 QNDFCYBAJJFGLB-SANMLTNESA-N 609.551 4.522 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 223737406 RVXRVYMAOVJNAV-JGCGQSQUSA-N 645.778 4.684 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223754119 GYVLJTFYUBUZRK-AREMUKBSSA-N 592.545 4.544 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223761487 WZPYTZSMZDAZBD-MUUNZHRXSA-N 616.180 4.680 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 223782112 AADMXTWSDXUEDK-FQEVSTJZSA-N 590.515 4.645 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 223852331 LSKXNNBYACFGBD-HSZRJFAPSA-N 539.673 4.581 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 224006732 CYOAHSQYLXNGHG-GDLZYMKVSA-N 563.764 4.916 0 40 KJAB 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O=C(NC1CCCCC1)C(=O)Nn1c(C(=O)Nc2cccc(Cl)c2)cc2cc(Br)ccc21 408574800 DHTVRKCDIWKPBG-UHFFFAOYSA-N 517.811 4.829 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1cccc(C(F)(F)F)c1 408590495 HNQSYZABSSHYCP-UHFFFAOYSA-N 536.528 4.628 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)c2cc(C)cc(C)c2)cc1 408603813 GCZWJLWFLUVBIT-UHFFFAOYSA-N 542.661 4.771 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2 408628107 UDPLZHOMKBSKMN-UHFFFAOYSA-N 519.044 4.901 0 40 KJAB CCn1c(S/C(=C\c2cccc(I)c2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408633550 NTEYAORTJOKODM-NVMNQCDNSA-N 537.379 4.805 0 40 KJAB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 408665832 ZNBFKMPRMJFUAA-PNSPBAIISA-N 515.393 4.662 0 40 KJAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)S(C)(=O)=O)cc1Cl 408712327 MZXBCLUIZAZTHW-GOSISDBHSA-N 566.101 4.559 0 40 KJAB CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1 408712399 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Cc1csc(NC(=O)CSc2nnc(-c3cc(Br)ccc3O)n2-c2ccccc2)n1 409412505 QLWDJSRZXFBGTE-UHFFFAOYSA-N 502.419 4.898 0 40 KJAB Cc1ncsc1C(=O)N(C)CCC[C@H]1C(=O)N(C)CCCCN(C(=O)OC(C)(C)C)CCCOc2ccccc2C(=O)N1C 643560862 JRDBTPLNTVHESE-VWLOTQADSA-N 629.824 4.703 0 40 KJAB Cc1nn(C)c(C)c1CNC(=O)c1nn2c(c1Br)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 647316 ROGHPDNSMNRDTA-OCCSQVGLSA-N 517.375 4.648 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(OC)cc3)N3CCCc4ccccc43)cc2c1 908721 NASVSAUWSCWEKW-MUUNZHRXSA-N 506.610 4.676 0 40 KJAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2Cl)C2CC2)cc1 934060 JEINLNHINJGZKE-UHFFFAOYSA-N 519.088 4.904 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C3(Br)c3ccccc32)cc1 2068331 OUXHXCKXHFCOBZ-FPAXGFGJSA-N 502.364 4.767 0 40 KJAB O=C(CC[C@H]1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O)NCCc1ccccc1 2967406 HZAAOTZLKGVHPG-XMMPIXPASA-N 500.599 4.857 0 40 KJAB COc1ccc(NS(=O)(=O)c2cc(C(=O)O[C@H](C)c3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C)C5)ccc2F)cc1 6144264 ZXFNBCXGGTWUHP-HUUCEWRRSA-N 571.652 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514.673 4.711 0 40 KJAB CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)cc1OCC 20107048 HAUATEXTLODBDL-UHFFFAOYSA-N 529.486 4.649 0 40 KJAB COC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCN(Cc1ccccc1)C3 20479490 GEJNEQBIMHWUDN-SFHVURJKSA-N 505.665 4.968 0 40 KJAB COc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)Nc4ccc5c(c4)OCO5)S3)[C@H](c3ccc(OC)cc3)C2)cc1 33357685 AJCIZVUTOWLZPX-JYFHCDHNSA-N 558.616 4.610 0 40 KJAB Cc1cc(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@@]32C)n([C@H]2CCS(=O)(=O)C2)n1 72325094 DKKONEQPPGSGEQ-PBAYUXNISA-N 589.843 4.897 0 40 KJAB biogenic COc1cc(O)c(COc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4ccnc(c24)C3=O)cc1OC 86038721 LHTZHKQWUHDJDX-UHFFFAOYSA-N 533.533 4.782 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 97946054 SMPKBDMCYXZAQB-FQKMCRJQSA-N 593.057 4.646 0 40 KJAB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1OCC(=O)Nc1ccc(F)cc1 97960122 QPDSRHFFBXSSQT-LPYMAVHISA-N 553.543 4.666 0 40 KJAB O=C(O)c1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3)ccc2Br)cc1 97994462 FFUMBLPEPQMOCM-UHFFFAOYSA-N 554.216 4.963 0 40 KJAB O=C(NCc1ccccc1)[C@@H](c1cccs1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1F 100290344 GDDKMNPJTXAVIR-AREMUKBSSA-N 544.587 4.771 0 40 KJAB Cc1cccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3sc(=O)n(-c4ccccc4)c3Cl)C2=O)c1 102728463 OOMMYEXRWKFMJF-BHDDXSALSA-N 517.994 4.912 0 40 KJAB CCCNC1=C(C(=O)Nc2ccccc2OCC)C(=N)[C@H](C(=O)Nc2c(F)c(F)c(F)c(F)c2F)S1 102729479 WPPUQXVXBHCKDA-HXUWFJFHSA-N 528.503 4.704 0 40 KJAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 104533146 XHWSOXLWWMPWDS-SNTCSEMISA-N 545.396 4.758 0 40 KJAB CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1cccc2ccccc12 106717923 WELMNAQCEDHSKB-UHFFFAOYSA-N 524.444 4.875 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c2cccc(Cl)c2Cl)cc1 107655847 UHJCIIFTPGFQHS-UHFFFAOYSA-N 562.475 4.608 0 40 KJAB COC(=O)c1c(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@@H](C)C(=O)OCC(=O)Nc2sc4c(c2C(=O)OC)CC[C@@H](C)C4)C3=O)sc2c1CC[C@@H](C)C2 150392060 SMSMLBQQSKZXRH-QRVBRYPASA-N 793.873 4.594 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Br)cc1 222477769 HLSHLOQKVUBGDL-HSZRJFAPSA-N 515.835 4.867 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 222536464 HKYCTHISWUGOGO-DEOSSOPVSA-N 536.138 4.736 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 222786675 VJNXDJXSDDHFHT-FQEVSTJZSA-N 576.090 4.992 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 222862796 OJXDGFMCKWLZBO-MHZLTWQESA-N 640.600 4.786 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 222997778 UBPGXQVDVSYNNX-OAHLLOKOSA-N 593.371 4.854 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 223003125 BMQPWQRANUZHFB-QHCPKHFHSA-N 539.673 4.663 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223099502 HCKHQSJRZOFLBZ-XMMPIXPASA-N 551.709 4.533 0 40 KJAB Cc1cccc(N(CCCC(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)S(C)(=O)=O)c1C 223116248 DUIPBNFVXHODBM-UHFFFAOYSA-N 512.676 4.856 0 40 KJAB COc1ccc(N(CC(=O)Nc2nnc(SCc3ccccc3)s2)S(=O)(=O)c2ccccc2)cc1OC 223275180 IABLEJBHMVOTAX-UHFFFAOYSA-N 556.691 4.682 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 223466810 LZBYUEWCIXCSKQ-NRFANRHFSA-N 546.492 4.621 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 223478490 OYURMRAQIHMYPT-DEOSSOPVSA-N 551.709 4.533 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223482282 FGPCPXKWJIFZDZ-MUUNZHRXSA-N 567.727 4.665 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc(F)cc1 223543865 UEEAGHNWLZCIDO-XMMPIXPASA-N 513.407 4.743 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 223919147 TZSRERCXQJWCBQ-INIZCTEOSA-N 652.382 4.840 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(SC(C)C)s2)c2ccc(C)cc2)cc1Br 223934043 LOOFKVFPCAZVBH-UHFFFAOYSA-N 571.544 4.952 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 224392556 BKYQBRJWSJCHLP-MHZLTWQESA-N 545.721 4.855 0 40 KJAB CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1 224488700 SDWCWNLNCGLBAY-VWLOTQADSA-N 565.736 4.513 0 40 KJAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 224611492 KBXRGGVCKWEWRR-GDLZYMKVSA-N 565.736 4.575 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224648196 BUOINNJHOOSMFK-JOCHJYFZSA-N 542.529 4.647 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 224762108 YCKAFVNFWQROAJ-PMERELPUSA-N 557.716 4.625 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1Cl 224777413 GEFZFCLUPWAAMW-MHZLTWQESA-N 586.154 4.588 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 225013893 WYDQCZLZFSEQRC-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 225198318 GOHICBIMOLYGGI-SANMLTNESA-N 602.153 4.886 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 225225238 JDRHOEMWTZCATA-BJKOFHAPSA-N 613.752 4.987 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 225341255 HRHQADDTFAKBJE-RBUKOAKNSA-N 572.555 4.880 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 225474836 UMEPLBRWLLDZDF-WXVAWEFUSA-N 597.709 4.514 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225608808 QJBKJOPSZXCGML-LJAQVGFWSA-N 636.170 4.939 0 40 KJAB Cc1cc(C)cc(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 225725808 FDPPJXZMXKWWGU-QFIPXVFZSA-N 580.589 4.802 0 40 KJAB CCc1cc(Br)cc(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1 226047425 FOEPDTBUDWSELF-UHFFFAOYSA-N 509.466 4.676 0 40 KJAB Cn1c(CCC(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCCC3)CC2)nc2cc(Cl)ccc21 257285103 PFRAWEFLIIPEIO-ZEZDXWPOSA-N 509.094 4.613 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)Oc3ccc(C(C)(C)C)cc32)cc1 260832673 LGSDYUDNAOQDFP-WHLCRQNOSA-N 566.676 4.598 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(C)cc1)[C@H](CC)C(=O)N[C@@H](C)CC)S(C)(=O)=O 260916060 GFCXPCQZYLNASJ-UKILVPOCSA-N 545.746 4.662 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 260925824 HBADSZGNSPUBAY-HOFKKMOUSA-N 545.746 4.580 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 260957039 GFQXTAOWWKRHQX-WJOKGBTCSA-N 591.774 4.723 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 261016939 VMOYCRBKKOJNAQ-OUTSHDOLSA-N 565.736 4.921 0 40 KJAB C[C@H](NS(=O)(=O)c1ccc(OCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(Cl)c1)c1ccccc1 408590091 GYRQYPPWQWVXSK-HDFUYHJRSA-N 554.112 4.616 0 40 KJAB COC(=O)c1cc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(C(=O)OC)c1 408619189 MXYNEHULNWSRNH-UHFFFAOYSA-N 565.431 4.709 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2C)cc1 408629667 FWWITMFDMJRXJF-UHFFFAOYSA-N 531.600 4.866 0 40 KJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 408656252 IPOFPRIXLXOYHJ-LBPRGKRZSA-N 500.176 4.599 0 40 KJAB Cc1c(Br)ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)cc2)c1C 408688842 RFTUUNQTDYRHMS-KPOBHBOGSA-N 527.415 4.787 0 40 KJAB Cc1c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)ccc(Br)c1Cl 408689175 RMQSBXQCOPUKSW-IRXDYDNUSA-N 533.806 4.886 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)c2=O)=N1 408831717 PBCXNYWHZXEMHR-UPWSPCOFSA-N 600.649 4.574 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 408862373 IZZWGIBPTFPEKM-XIHDXPBISA-N 723.598 4.864 0 40 KJAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)C1=O 409018086 XHVYISHJTZGNKE-PVGUKEHMSA-N 625.437 4.955 0 40 KJAB COc1cccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 409024384 KOTJOJGHNQROAO-UHFFFAOYSA-N 543.645 4.768 0 40 KJAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)cc(I)c3O)C2=O)cc1 409106769 OXTMNBYQSIXKDA-LZYBPNLTSA-N 650.232 4.675 0 40 KJAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc(C(=O)O)cc4)cc3)C2=O)cc1 409250709 RTUBBRVPYRJLKV-OEAKJJBVSA-N 518.547 4.647 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 409333173 ICGWKWOQGBWRNH-VVNKCDPRSA-N 593.455 4.550 0 40 KJAB CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl 409343705 FDCHRLLHCIROBE-MRXNPFEDSA-N 530.050 4.738 0 40 KJAB CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 409347040 NGAIRPNOQAIYOF-UHFFFAOYSA-N 513.048 4.736 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(Cl)c(Cl)c3)n2C)sc2c1CCCC2 409352294 YBSISFZVTSGLLI-UHFFFAOYSA-N 582.535 4.900 0 40 KJAB COc1ccc(CCc2nc(N3CC[C@@H]4[C@@H](C3)[C@H](c3ccc(F)cc3)CN4C(=O)C(C)C)ncc2C(=O)O)cc1 409412949 SZGDJNDECWZYOM-UNCTUWKVSA-N 546.643 4.585 0 40 KJAB CCCc1cc(=O)n2c(C(=O)Nc3cc(OC)ccc3OC)c(C(=O)Nc3cccc(C)c3C)sc2n1 1320818 FWDQMZQROMVITP-UHFFFAOYSA-N 520.611 4.847 0 40 KJAB COc1ccc(CN(Cc2cccnc2)[C@@H](c2cc3cc(OC)ccc3[nH]c2=O)c2nnnn2CCc2ccccc2)cc1 1382193 FFFPWXRZYHAIBK-YTTGMZPUSA-N 587.684 4.961 0 40 KJAB O=C(N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 1470948 PEWMLEYZHQTPLS-MIWMXLOXSA-N 506.908 4.907 0 40 KJAB O=C(COc1ccccc1)Oc1c(Br)cc(Br)cc1CN1C(=O)C(=O)c2ccccc21 2068753 YSTMDDBOPOSYOY-UHFFFAOYSA-N 545.183 4.926 0 40 KJAB O=C(O[C@@H]1OC[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 4565991 YHLULIUXPPJCPL-NPJKBUODSA-N 566.562 4.877 0 40 KJAB Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N(Cc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c2c1 6410044 QUCIRPDWFFFXQB-LITSAYRRSA-N 538.627 4.933 0 40 KJAB COc1ccc(CN(C(=O)CN2C(=O)C(=O)c3ccccc32)[C@@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)cc1 8713454 OQXBEIXTSKUBPM-SSEXGKCCSA-N 563.610 4.642 0 40 KJAB CCOC(=O)C1=C(Nc2ccc(Br)cc2)C[C@@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccccc1 9761190 RJEOTYAVVAKHEY-QFZWGZQFSA-N 502.405 4.796 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)cc1OC 12478773 RFOHKAHFDVNTQP-MHZLTWQESA-N 520.582 4.905 0 40 KJAB COc1ccc(C(=O)CSc2nnc(-c3ccc(NS(=O)(=O)c4ccc(OC)cc4)cc3)o2)cc1 12485268 PWLUNLDELPNQCL-UHFFFAOYSA-N 511.581 4.530 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 13024064 POOWWTPMNGRUQQ-AREMUKBSSA-N 515.614 4.528 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(SC)c2)cc1Cl 22269679 MVUFXTIPCVVQQG-QFIPXVFZSA-N 505.061 4.989 0 40 KJAB Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1C 22872774 RNYHEOUSEFPOGD-CYTLCNBWSA-N 589.744 4.807 0 40 KJAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1 40476183 DBRVYNJAJPZAKI-UHFFFAOYSA-N 533.694 4.936 0 40 KJAB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(OC)c(Br)c2)c1 97948373 UPVIVCSHYIYLHF-UHFFFAOYSA-N 566.452 4.849 0 40 KJAB CN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(C(C)(C)C)cc1)CC2)[C@@H]1CCS(=O)(=O)C1 97979816 MRTNIRUUKBEXOQ-ZGZCKBCJSA-N 546.689 4.821 0 40 KJAB COc1ccc(C)cc1N(C(=O)Cn1nnc(-c2ccccc2F)n1)[C@@H](C(=O)NC1CCCC1)c1cccs1 100289319 ZSQBPWZUVRYDAP-AREMUKBSSA-N 548.644 4.691 0 40 KJAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 103090289 DMNKADFZVNHXKE-UHFFFAOYSA-N 555.632 4.728 0 40 KJAB CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCc1nc2ccccc2[nH]1 108448059 OHQVNBUMDOWCMM-DMOZSWNESA-N 627.742 4.882 0 40 KJAB biogenic COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccccc1 108946482 ZTXJTOKIWRBKHZ-GTWFGUSFSA-N 531.033 4.641 0 40 KJAB CN(C)S(=O)(=O)N(Cc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)c1ccccc1F 113516200 UNGJOSMZTSILCG-UHFFFAOYSA-N 564.605 4.620 0 40 KJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@](O)(CC(=O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]4(C)C[C@@H](O)[C@@]32O)C1 123274730 BCCTYEHUEJTHPG-OJVXAZDDSA-N 506.724 4.665 0 40 KJAB CCOC(=O)c1sc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)c(C(=O)OC)c1C 150441444 ASKBTZIWPQXAHJ-VJGNERBWSA-N 676.725 4.839 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C)cc1 222861969 DEIFRLOQISLTOG-IBGZPJMESA-N 578.518 4.669 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 223003725 QLHWHNLYXZZHEK-LJAQVGFWSA-N 600.181 4.835 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCCc2ccccc2)cc1 223020162 JLOMQJGBZWUQRZ-MGBGTMOVSA-N 597.781 4.916 0 40 KJAB CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 223021935 OUTRDXLNBGLHDW-SSEXGKCCSA-N 563.764 4.864 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCc1ccc(OCC)c(OCC)c1 223024754 KBTJGHFGXCFFAN-SFHVURJKSA-N 505.453 4.733 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223039482 RLVZBGYWUVFNKJ-QFIPXVFZSA-N 536.138 4.837 0 40 KJAB O=C(NCc1ccc2c(c1)OCO2)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223039597 YQLKLPBFKGIWBI-YTTGMZPUSA-N 639.774 4.745 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223071245 NBWCPMLCNLVJAA-XMMPIXPASA-N 641.787 4.558 0 40 KJAB Cc1cccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 223098170 SCWLZVGHZZIJAC-DEOSSOPVSA-N 535.710 4.565 0 40 KJAB COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1OC 223177499 IVIDIEBKWMKNPC-MHZLTWQESA-N 530.596 4.935 0 40 KJAB COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1OC 223177556 IVIDIEBKWMKNPC-HHHXNRCGSA-N 530.596 4.935 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 223198688 NRJLZXGKCQMPBU-VWLOTQADSA-N 576.546 4.844 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 223245597 SXMZOWGLPPNLCJ-QHCPKHFHSA-N 569.699 4.672 0 40 KJAB O=C(NCCOc1cccc2ccccc12)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 223542668 TXOLHJZLWWOGDH-SANMLTNESA-N 523.010 4.645 0 40 KJAB CSc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2Cl)c2ccc(C)cc2)cc1 223731022 GGXDWNNVRSYOEP-UHFFFAOYSA-N 505.061 4.761 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 223759210 KCMGBQYHYRONNX-JGCGQSQUSA-N 633.742 4.814 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 223814095 NXUNHYFHTSQBHQ-NRFANRHFSA-N 546.492 4.622 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223858064 JIHIWFSQLABUIP-IBGZPJMESA-N 608.544 4.759 0 40 KJAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2c(C)[nH]c(C)c2I)cc1 223962040 IKSMYINMMUMNMR-NHCUHLMSSA-N 531.423 4.767 0 40 KJAB Cc1[nH]c(C)c([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1I 224002419 RFEKGTYJKAGEQM-PMACEKPBSA-N 518.380 4.537 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 224387527 VPWKTBPXAWTEDP-MUUNZHRXSA-N 611.736 4.904 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224410443 KXCKBQWHDTULSN-HXUWFJFHSA-N 568.445 4.722 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 224502392 RMXFYFUQHLOINT-DEOSSOPVSA-N 554.540 4.934 0 40 KJAB CCOc1ccc(N(CC(=O)NCc2cccc(CN3CCCC3)c2)S(=O)(=O)c2ccc(C)cc2)cc1 224597072 FKBSAIPTOKHALA-UHFFFAOYSA-N 521.683 4.501 0 40 KJAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-n3cnnc3)c2C)ccc1Br 224922406 AYBTXFWXDIYQRR-YADHBBJMSA-N 508.449 4.651 0 40 KJAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 225044020 LFWJMZUQOGUMIM-JOCHJYFZSA-N 575.653 4.887 0 40 KJAB CCn1c(=O)sc2cc(NC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)ccc21 225079386 PLTVWAZZSHOALE-UHFFFAOYSA-N 535.569 4.936 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 225082590 VZLBXTFEVXFWOZ-RUZDIDTESA-N 625.573 4.622 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)c2ccc(F)cc2)cc1 225203292 JXLNMLZSGFWSFZ-UHFFFAOYSA-N 526.615 4.885 0 40 KJAB Cc1cccc(CN(C(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 225285418 HMYIORKMCIXDGQ-DYIKCSJPSA-N 555.719 4.725 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 225323262 XXSXRAMCVZNZES-NDEPHWFRSA-N 570.155 4.971 0 40 KJAB O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 225863517 VONCQFUXNPKMCH-UHFFFAOYSA-N 538.069 4.899 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1C 226053521 TWLQJBKUCCTEDB-UHFFFAOYSA-N 567.111 4.667 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@]3(CCCN(CC(=O)Nc4ccc(C)c(F)c4)C3)OC[C@@H]2Cc2ccccc2)cc1 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COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1Br 408908159 UKHPNZFLJDBZIO-UHFFFAOYSA-N 525.446 4.676 0 40 KJAB O=C(COc1ccccc1/C=C1/NC(=O)N(Cc2ccc(Br)cc2)C1=O)Nc1ccccc1 408928888 FRQNVORGIFBTIQ-KGENOOAVSA-N 506.356 4.560 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(I)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408978956 BCPDCTKVPXMZPO-WWFXOLRUSA-N 652.510 4.557 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3OC(C)C)c(=O)n2[C@H]1c1ccccc1 408986846 POWPWALGCAJKIN-LMKKRCETSA-N 524.642 4.723 0 40 KJAB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 408993916 XMCIPGIBHAEVLI-HSZRJFAPSA-N 548.061 4.884 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4ccccc4C)cc3)c(=O)n2[C@@H]1c1ccccc1Cl 409007355 OBIBCVKQVYUCGY-RGDUZTMSSA-N 602.112 4.778 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc(I)c1O 409051685 MNSCWMQKOXURIN-BOPFTXTBSA-N 529.327 4.650 0 40 KJAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3ccccc3F)c(OC)c2)C1=O 409065355 KWIUYGNNCIPBQV-SGEFVQMOSA-N 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COc1cc(CN2CCOCCOc3ccccc3Oc3ccc(Cl)cc3NC(=O)C2)cc2c1OCCO2 643569823 SPDWUKGERUYKFQ-UHFFFAOYSA-N 541.000 4.762 0 40 KJAB Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@@H](c3ccc(N(C)C)cc3)c3c[nH]c4ccccc34)CCOCC2)o1 1547139236 PXCCNKVSRRGPFR-DEOSSOPVSA-N 529.637 4.588 0 40 KJAB biogenic CC(C)Oc1ccccc1CN1CCCCCc2cccc(C(=O)N(C)C3CCC3)c2OC[C@@H](O)[C@@H](O)CC1 1615120138 KTDPONWZSCNJBX-URLMMPGGSA-N 538.729 4.818 0 40 KJAB O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1)N1CCc2ccccc2C1 702374 YEVIXWCISHCVEF-UHFFFAOYSA-N 544.698 4.848 0 40 KJAB CC(=O)c1ccc(N(C(=O)[C@H]2COc3ccccc3O2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1 930911 VDKBIYSXYDHGDR-FQLXRVMXSA-N 528.605 4.958 0 40 KJAB CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1374829 NKEXTTSGFKDINO-HHHXNRCGSA-N 536.636 4.796 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc(OC)cc2)c2cccs2)cc1 1412451 UMYLHAIEMKGAGK-NDEPHWFRSA-N 541.633 4.919 0 40 KJAB CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)Nc1ccc(I)cc1 6075220 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Cc1ccc(OCc2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)n2Cc2ccccc2)cc1 100256222 QSULNDMWJVWVRB-UHFFFAOYSA-N 547.706 4.984 0 40 KJAB CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2cccc(OC)c2OC)cc1 100364700 PUAXKLQHQHOOPL-HHHXNRCGSA-N 545.640 4.536 0 40 KJAB CC[C@H](c1nnnn1C[C@H]1CCCO1)N(CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 100377409 IXSARQQLUNNFIU-CLJLJLNGSA-N 560.699 4.524 0 40 KJAB CC1(C)O[C@H]2[C@H](O1)[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)O[C@H]2n1cnc2c(=O)[nH]cnc21 100821288 KCWRKFVKIDINBP-JVYBIVSJSA-N 550.615 4.546 0 40 KJAB Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(C)c(Br)cc3C)[C@H](C)C2)c(C)cc1Br 101454735 BRCVEYFQFTYHJU-QGZVFWFLSA-N 594.391 4.529 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 104945147 QJUCYPNHHJEGMK-CYGYJLBOSA-N 620.683 4.991 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OCC)c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 105498168 JFXBLZUBHWZMDX-SJJVXOANSA-N 577.058 4.888 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)C1=O)N1CCOCC1 106709998 APHMUKYGVZCUSS-UUYOSTAYSA-N 530.433 4.892 0 40 KJAB Cc1ccc(-c2nc(NC(=O)CSC(=S)N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)sc2C)cc1 113480541 WAXLFBDHLNRNPT-HKUYNNGSSA-N 510.710 4.665 0 40 KJAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(CN(c3ccccc3F)S(=O)(=O)N(C)C)cc2)cc1OCC 113491193 YNQNSFMTKZGNHD-HXUWFJFHSA-N 543.661 4.927 0 40 KJAB O=C(OCC(=O)c1ccccc1Cl)c1ccc(N2C(=O)C[C@H](SC(=S)N3CCN(Cc4ccccc4)CC3)C2=O)cc1 113562764 LJMQFUKXIFZEIC-MHZLTWQESA-N 622.168 4.848 0 40 KJAB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)Nc2cc(C)c(Br)cc2C)CC1=O 138704590 WUGLKDVIZKRBGQ-IBGZPJMESA-N 501.421 4.726 0 40 KJAB Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3cnc4c(S)nc(N)nc43)[C@@H](OC(=O)c3ccc(C)cc3)[C@@H]2OC(=O)c2ccc(C)cc2)cc1 150367548 SOUITANOVOYJTH-JVYBIVSJSA-N 653.717 4.828 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 150636583 WJYZTOZBBKJZGN-LWUPDDLQSA-N 626.472 4.672 0 40 KJAB CCS(=O)(=O)N(CC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc2c(c1)OCCO2 216411258 LPWZJGCARRPIGR-UHFFFAOYSA-N 551.665 4.802 0 40 KJAB COc1ccc(CN(C)C(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 216456410 JXBITIOZHBYUKH-UHFFFAOYSA-N 510.656 4.990 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 222516975 XKDWMSOATMSCSN-IBGZPJMESA-N 548.492 4.660 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 222805968 YLAIKISXDUXXKQ-MHZLTWQESA-N 618.569 4.767 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 223020083 BOLKETNFTCJSFU-RUZDIDTESA-N 561.626 4.763 0 40 KJAB O=C(NCc1cccnc1)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223183158 BXDGDIOCOOLOLU-YTTGMZPUSA-N 614.743 4.551 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 223242178 QFGQXLZFOVRZIG-HSZRJFAPSA-N 539.673 4.663 0 40 KJAB 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512.960 4.547 0 40 KJAB O=C(COC(=O)c1cccc(N2C(=O)c3ccc(C(=O)Oc4ccccc4)cc3C2=O)c1)c1ccccc1 677185 FFRLVCXZTVNAEG-UHFFFAOYSA-N 505.482 4.746 0 40 KJAB CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(C)o2)c1 901308 AJVQDNPLRFFPSA-NDEPHWFRSA-N 513.598 4.759 0 40 KJAB COc1cccc(OCc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2CCc2ccccc2)c1 929240 SUTLHMRIEXJDDT-UHFFFAOYSA-N 532.622 4.610 0 40 KJAB COc1ccc(C(=O)COC(=O)[C@H](C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 991764 PLPULROCYHELES-QMMMGPOBSA-N 505.137 4.719 0 40 KJAB CCOc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(OCC)cc2)CCN(C)C4)cc1 1279668 MWQAGTRGFBDWCY-UHFFFAOYSA-N 550.706 4.963 0 40 KJAB CCCc1cc(=O)n2c(C(=O)Nc3ccccc3CC)c(C(=O)Nc3ccc(C(=O)OC)cc3)sc2n1 1906813 NQONKWURVZDCLK-UHFFFAOYSA-N 518.595 4.562 0 40 KJAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 3181627 AEGNBZSXEGICKD-UHFFFAOYSA-N 505.518 4.595 0 40 KJAB CCOc1ccccc1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1cccc(C)c1 3240854 OEJXPJMFBAWKTP-UHFFFAOYSA-N 551.694 4.623 0 40 KJAB CSc1ccccc1NC(=O)c1cc(S(=O)(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1Cl 3250734 QQMGAIWWWFQZRW-UHFFFAOYSA-N 557.097 4.937 0 40 KJAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)c1C 3406011 PYUNKSYIZXKXOZ-UHFFFAOYSA-N 513.333 4.981 0 40 KJAB COc1ccc(NC(=O)[C@@H](c2cccs2)N(Cc2ccc(F)cc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 3773508 XQLNBRFHYQUVPA-HHHXNRCGSA-N 557.603 4.834 0 40 KJAB COc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2Cc2nccc3cc(OC)c(OC)cc23)cc1OC 6058804 JUCKAIQRYPDEEF-UHFFFAOYSA-N 554.621 4.678 0 40 KJAB CCc1c(C)sc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2sc(C)c(CC)c2C(=O)OC)c1C(=O)OC 8398005 MTEYODVPRWFTPA-UHFFFAOYSA-N 552.568 4.972 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 8425882 SNQMSCAVYZRKAF-KMBIYUNPSA-N 607.482 4.746 0 40 KJAB C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NCCc5ccc(O)cc5)CC[C@]4(C)[C@@H]3CC[C@@]21C 8917899 NJGWSWKGLBTOIW-MCWCXMHISA-N 504.671 4.751 0 40 KJAB biogenic 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CCOc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC)S(C)(=O)=O 261096965 VDTONMKHOPEGHZ-LXFBAYGMSA-N 583.726 4.545 0 40 KJAB CCOc1ccc(N(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 408623581 YDKDWGHWRPLDQW-UHFFFAOYSA-N 565.589 4.787 0 40 KJAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 408629384 ADQGOPXXXUULNE-UHFFFAOYSA-N 518.975 4.505 0 40 KJAB CS(=O)(=O)N(CCCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 408680219 PWJOSGQMJYJNNV-UHFFFAOYSA-N 526.102 4.820 0 40 KJAB O=C(Nc1ccccc1C(=O)N1CCCCC1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 408714562 FEKHREWILRWCLA-RUZDIDTESA-N 540.041 4.561 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cccs2)n2c(s/c(=C\c3cc(Cl)cc(Br)c3O)c2=O)=N1 408923502 FMMVMHDJBXJWBV-DDYRAIOVSA-N 567.914 4.762 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2ccc(I)cc2C)c2ccccc2)cc1 408983037 ZXVYYSYEWIBCPP-QFIPXVFZSA-N 534.419 4.956 0 40 KJAB COc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 409004205 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541.696 4.713 0 40 KJAB CCN1CCOc2ccccc2CCCCC2(CCN(C(=O)CCN(C)c3cccc(OC)c3)CC2)C1=O 2037884802 FSQCGMIHYKALET-UHFFFAOYSA-N 521.702 4.784 0 40 KJAB COC1(COc2ccc(Cl)c(Cl)c2)CCN(Cc2ccc(OCCCN3C(=O)CN(C)C3=O)cc2)CC1 2037940796 ZEDYKNLLEOCYLR-UHFFFAOYSA-N 550.483 4.716 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(SCC(=O)N4[C@H](C)CCC[C@H]4C)o3)cc2)cc1 897130 HKGDUTDDQUZZDT-QZTJIDSGSA-N 500.646 4.727 0 40 KJAB Cc1sc2ncnc(Sc3ccccc3C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2c1C 2645481 HQILPDDSNRMFOR-UHFFFAOYSA-N 524.693 4.606 0 40 KJAB COc1ccc(CN(C(=O)CN2C(=O)C(=O)c3ccccc32)[C@@H](C(=O)Nc2ccc(OC)cc2)c2cccs2)cc1 3773511 LSTMQPQFHODSGT-MUUNZHRXSA-N 569.639 4.703 0 40 KJAB COC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(N)=O 5575080 YURHRNOBWQYDIT-IHLOFXLRSA-N 625.747 4.540 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3cnc4ccccc4c3)[C@@H](CC(C)C)C(=O)NC(C)(C)C)n2)cc1 6279878 VXLIVYNAVMJQHD-VWLOTQADSA-N 513.646 4.559 0 40 KJAB COc1ccc(-c2nnc(SCC(=O)NCCc3ccc(OC)c(OC)c3)nc2-c2ccc(OC)cc2)cc1 8589906 GSHOBVAWVXXCJH-UHFFFAOYSA-N 546.649 4.691 0 40 KJAB biogenic O=C(Nc1ccc(Br)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 10691636 HLUVTMSWLSRJAG-UHFFFAOYSA-N 506.249 4.936 0 40 KJAB COC(=O)c1ccc(Cl)c(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)c1 10691992 AOCPJAKJCLHZMF-UHFFFAOYSA-N 519.834 4.614 0 40 KJAB CC(C)(C)OC(=O)NCC(=O)Oc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C(F)(F)F)oc2c1 11866719 HRJGUOSMMVQUJW-UHFFFAOYSA-N 521.444 4.680 0 40 KJAB CCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 14411950 JHFRIOAKLAYBLG-UHFFFAOYSA-N 514.047 4.931 0 40 KJAB COc1ccccc1N1CCN(C(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)CC1 20236405 DCLRAYAMLUHCDS-UHFFFAOYSA-N 528.074 4.510 0 40 KJAB CCCCOc1cccc(C(=O)NC(=S)Nc2cc(Cl)ccc2N2CCN(C(=O)CC)CC2)c1 33786583 SVKKKAZUDKZDMN-UHFFFAOYSA-N 503.068 4.704 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)NCCSCc1ccc(C)cc1)S(=O)(=O)c1ccccc1 44792496 MWWWZSVHGMFSEB-UHFFFAOYSA-N 519.088 4.902 0 40 KJAB CCOC(=O)C(=O)n1cnc2ccc(C(=O)Nc3cc(OCC)c(NC(=O)c4ccccc4F)cc3OCC)cc21 59531194 WJRPWYPNPRZYRC-UHFFFAOYSA-N 562.554 4.681 0 40 KJAB COc1ccc(N(CC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 60016731 AZIOOEXJVXTQBX-GOSISDBHSA-N 533.046 4.747 0 40 KJAB CSCC[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccc(C)cc1 70706573 NMKJUIHPJMMBRO-HPUNYJORSA-N 552.700 4.501 0 40 KJAB biogenic O=S(=O)(c1cc(F)cc(F)c1)c1cnc2ccc(F)cc2c1N1CCCC[C@@H]1CCN1CCOCC1 71775284 UOCDISNBYWGUCX-OAQYLSRUSA-N 519.589 4.566 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@@H]1c1ccccc1 97962798 YZPYHQRYIGWRMP-YPKVGQCMSA-N 592.458 4.540 0 40 KJAB Cc1c(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)s2)c(=O)n(-c2ccccc2)n1C 98008033 MEUOGAQNYAZWEN-UHFFFAOYSA-N 536.466 4.953 0 40 KJAB CCOc1cccc(N(C(=O)CCC(=O)Nc2cc(C)on2)[C@H](C(=O)NC(C)(C)C)c2cccc(OC)c2OC)c1 100416564 SRJXLXJWQZSLRG-MHZLTWQESA-N 566.655 4.807 0 40 KJAB CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3Cc3cccnc3)c2)CC1 101066312 BXERQLDIQIDHKT-YCNYHXFESA-N 562.717 4.856 0 40 KJAB CC(C)Cn1c(=O)c2ccccc2n2c(CCC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)nnc12 101533214 CJDNPIDAVRHSBX-UHFFFAOYSA-N 548.691 4.567 0 40 KJAB COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1 102730756 YSHCDVHRSBXTKW-DNVJHFABSA-N 509.356 4.517 0 40 KJAB Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccccc3Cl)c2)c1 103050011 HZSCSVKYNOUWPO-UHFFFAOYSA-N 530.046 4.612 0 40 KJAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 103112127 VEODEBXJORXMGS-UHFFFAOYSA-N 532.593 4.740 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(C(C)C)cc3)c2=O)=N1 103827237 OMAXOOQKPWWBKY-BIWBSIMWSA-N 534.678 4.719 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 108448682 NKQWJACPTYVNIQ-XGKLTRBMSA-N 589.733 4.628 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 111470346 VOWWSPLUOWUFLM-YMSBRDKKSA-N 567.436 4.960 0 40 KJAB COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(=O)nc(NC(=O)COc5ccccc5)[nH]c43)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 150344092 RGMDCYXYFWPCBM-VDCPHJTRSA-N 703.752 4.811 0 40 KJAB CC(=O)NC(=S)Nc1ccc(NC(=O)c2cc(I)cc(I)c2Br)cc1 150472316 NLGSEBVXFVQLIA-UHFFFAOYSA-N 644.070 4.744 0 40 KJAB O=C(O)COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccccc2Br)C1=O 215102904 XFRWHWVEVMCTEY-LZYBPNLTSA-N 527.190 4.912 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 215954729 VWIOWPJOQCXBNA-UHFFFAOYSA-N 601.106 4.769 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 222423944 CGNKJHLTKWGZAX-LJAQVGFWSA-N 565.736 4.839 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 222432160 MVCJVBCXAAXXSB-MUUNZHRXSA-N 595.762 4.848 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 222547967 QTVUUMWIMXSHDJ-CJFMBICVSA-N 552.137 4.617 0 40 KJAB COc1ccccc1CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 222713413 BGXQVWSGQPBERQ-QHCPKHFHSA-N 605.688 4.748 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 222761714 VGVPVAYXDJWWLI-XMMPIXPASA-N 627.388 4.908 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 222856159 NFMVWXKFRMWTKT-HHHXNRCGSA-N 616.578 4.985 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 222911156 UMLMILFDSZOJJP-OAQYLSRUSA-N 618.152 4.505 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223076304 FLJUYVRZPNOKCC-NRFANRHFSA-N 602.153 4.885 0 40 KJAB O=C(NCc1ccccc1Cl)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223150824 RLEQGGSAHCAEHI-XIFFEERXSA-N 680.198 4.835 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 223251904 DQBVPVPZEMVOKZ-MHZLTWQESA-N 593.746 4.684 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C(=O)NCc2ccco2)c2ccccc2)cc1 223308575 LWBFORDDDKGAMM-SSEXGKCCSA-N 559.688 4.597 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 223586625 SKLPPIFQUQIWDA-MHZLTWQESA-N 630.605 4.780 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Br)c(C)c1 223616448 JLMGIOFAFMVURZ-QFIPXVFZSA-N 505.453 4.867 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c2ccccc2F)cc1 223729133 SMOWOBMMWANXRN-QHCPKHFHSA-N 551.684 4.806 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223740476 FDRCQPYWCOSMNI-QDPGVEIFSA-N 611.736 4.655 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cc3ccncc3)cc2)c2ccc(F)cc2)cc1 223904519 QYAFYOXCRUXONC-UHFFFAOYSA-N 505.571 4.654 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224272155 FWKHAXUPQUFUNR-HHHXNRCGSA-N 614.164 4.781 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 224318941 ROLGZTKBWAUTJC-HHHXNRCGSA-N 556.128 4.980 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 224338121 UTUHVQGKRDVCSG-QFIPXVFZSA-N 528.074 4.726 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 224537469 DBNLQSKYXRDNEW-DEOSSOPVSA-N 602.540 4.693 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 224697249 PMILZAGPUGODTR-IBGZPJMESA-N 538.085 4.501 0 40 KJAB CC(C)c1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 224712643 PAHHRCFHFOLSAY-FQEVSTJZSA-N 578.573 4.815 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224735506 DBLDVHJVWYFJQZ-HSZRJFAPSA-N 540.101 4.605 0 40 KJAB CC[C@@H](C(=O)NCc1ccccc1CN1CCCCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224845335 GKIGMLXYHQRKFK-QFIPXVFZSA-N 512.503 4.840 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 224926004 GKIFJVZUPSMONR-MUUNZHRXSA-N 595.762 4.787 0 40 KJAB COc1ccccc1OCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 224964873 XZZRVAMWHZVDMO-SANMLTNESA-N 504.602 4.912 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 224980071 MFEHPMDLAHBYIW-LJAQVGFWSA-N 583.726 4.545 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 225139289 PRWXMNKKQJZQJS-FCHUYYIVSA-N 572.127 4.876 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 225258834 ULACBCUYCCWMBZ-QFIPXVFZSA-N 580.589 4.946 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 225354277 ABMVFWFHDUDMJW-LJAQVGFWSA-N 563.764 4.934 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 225395844 YPPAANFKDLFVGO-NDEPHWFRSA-N 551.709 4.533 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 225511400 QZCGHRWMJRFIHO-ATIYNZHBSA-N 529.747 4.781 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 225526559 WNFNYQJGARYYMT-HKBQPEDESA-N 585.726 4.585 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 225529620 ZTTLGRIIHYIRQS-YTTGMZPUSA-N 629.779 4.902 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 225581985 MVYJWDJULBUVHB-CJFMBICVSA-N 537.673 4.542 0 40 KJAB O=C(Nc1nnc(SCc2ccccc2)s1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 225602803 OVAXFWZRVNIFFE-JOCHJYFZSA-N 538.676 4.567 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)c1 225654497 REEWVTOTGWCXAK-QFIPXVFZSA-N 616.578 4.903 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c2cc(C)ccc2C)cc1 225685729 HZOYNYTVCRZUHQ-SANMLTNESA-N 549.737 4.792 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 225703710 BGQILSYNLQQXDT-NDEPHWFRSA-N 535.710 4.831 0 40 KJAB CC[C@@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)c2ccc(C)cc2O1)c1ccc(OC)c(C)c1 260805304 APZBRFJOBASNMC-YIXXDRMTSA-N 524.639 4.544 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 260884826 JTOURWPONTZGKQ-RUZDIDTESA-N 565.736 4.779 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 260908845 PXDFGEYJGONESQ-RPBOFIJWSA-N 535.710 4.831 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC)S(C)(=O)=O 260998796 DTGCXGNYWIVYPM-MUAVYFROSA-N 567.727 4.709 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 261017903 VSXJDXPITLBTHK-RXVVDRJESA-N 542.529 4.790 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 261022607 VNYNYSVTCKEFCQ-GDLZYMKVSA-N 598.165 4.814 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 261067006 OVQHCSMEADIXNQ-DWACAAAGSA-N 603.160 4.647 0 40 KJAB Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)C1 408582115 VNDVFLIPJRYQFJ-OAQYLSRUSA-N 506.002 4.644 0 40 KJAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1 408621515 LLDFRNUUFYFGDT-UHFFFAOYSA-N 501.004 4.585 0 40 KJAB COc1ccc(N(CC(=O)NC(c2ccccc2)c2ccccc2)S(=O)(=O)c2ccccc2)cc1OC 408630984 YTWOMAHLXZPPIL-UHFFFAOYSA-N 516.619 4.805 0 40 KJAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408675234 ASUCHTFKPBFLED-DPGOXZFLSA-N 536.628 4.574 0 40 KJAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408676323 NBYFDJOCIWIZPN-UHFFFAOYSA-N 551.562 4.681 0 40 KJAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccccc1 408704267 ZMWFVOFWJWAVFG-GOSISDBHSA-N 512.031 4.868 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C)cc4)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 408834227 LEPSNOXUSJTKLO-NNAGEYCMSA-N 538.669 4.994 0 40 KJAB COc1c(I)cc(I)cc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 408865702 DNWCDIASEWKGIX-CHHVJCJISA-N 638.196 4.719 0 40 KJAB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(O)c(Br)c2)C1=O 408866483 GWXMVSDWGFLIIC-APSNUPSMSA-N 531.306 4.857 0 40 KJAB CCOc1cc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)ccc1OS(=O)(=O)c1ccccc1 408957758 VRPWBJYTORXENO-MOSHPQCFSA-N 528.380 4.960 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(I)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409030607 GMRMFONDUWJTGY-FLGOMVIPSA-N 798.652 4.941 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(F)cccc2F)Cc2ccc(Br)cc2)cc1 409079990 HHMZSDQZUBUWTG-UHFFFAOYSA-N 509.372 4.865 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(C)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 409099129 QNNSFSUUCAZWLI-MKWGYRPRSA-N 533.097 4.557 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3\C(=O)N(Cc4ccccc4)c4ccccc43)c(=O)n2[C@H]1c1ccc(F)cc1 409121864 YNVQZAHHRMSLAO-IRIOVGCYSA-N 615.686 4.992 0 40 KJAB COCCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)C1=O 409122760 BLZOKLGJJQPSAF-LICLKQGHSA-N 665.243 4.856 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C1=O)Nc1ccc(N2CCOCC2)cc1 409147031 VYWBWDIBMDVELC-UCQKPKSFSA-N 568.007 4.810 0 40 KJAB CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)cc1OC 409179063 MUUBXAGEBDJVNN-XDHOZWIPSA-N 566.417 4.936 0 40 KJAB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OC)c(OCC(=O)OCC)c3)C2=O)ccc1Cl 409198660 JEVVKYTZPRXCHJ-QRVIBDJDSA-N 605.065 4.922 0 40 KJAB Cc1ccccc1C(=O)N[C@H](C)c1nnc(SCC(=O)Nc2c(C)cc(I)cc2C)n1C 409341549 FEIPCSSGEBEXNK-MRXNPFEDSA-N 563.465 4.567 0 40 KJAB COc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(Br)cc2Cl)c1 409388242 VBGYVLFZOAVCBQ-YADHBBJMSA-N 606.809 4.594 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)Cc1ccccc1 409389129 MGFLPBYFJSCJOB-UHFFFAOYSA-N 507.439 4.818 0 40 KJAB O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(Cc1ccccc1OC(F)(F)F)CC2=O)NCCN1CCCC1 514287328 HHSIRLWBYCWRJL-AFXSQNOISA-N 614.709 4.603 0 40 KJAB COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O 524729735 HLJMUMPCBGWJML-KCWXNJEJSA-N 521.566 4.811 0 40 KJAB biogenic Cc1ccc2[nH]c(CN3CCC4(CCCCc5ccccc5OCCNC(=O)[C@H](C)NC4=O)CC3)c(C)c2c1 618018023 SEXOKXNCWRVSTF-DEOSSOPVSA-N 530.713 4.793 0 40 KJAB CC(=O)N1CC[C@@H]2CC[C@H](CN(C(=O)CCN(C)c3ccc(F)cc3)Cc3ccccc31)N2Cc1ccccn1 643567634 MWXOTCBJBVLLNO-XZWHSSHBSA-N 543.687 4.866 0 40 KJAB O=C(C1CN(C(=O)C2CCCC2)C1)N1CCC2(CCCCc3ccccc3OCCN(Cc3ccccn3)C2)CC1 643569114 LTMUYRDLOFSRHC-UHFFFAOYSA-N 558.767 4.946 0 40 KJAB CC(C)(C)OC(=O)c1ccc(OCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)O)C(=O)OC(C)(C)C)cc1 2056121252 JESYGQFTTZGKKT-DHUJRADRSA-N 854.048 4.522 0 40 KJAB Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCCC4)c4ccccc34)C(O)=NC2=S)cc1Cl 634775 KGBQVDCOJKSZEU-UDWIEESQSA-N 507.015 4.897 0 40 KJAB Cc1cccc(CCN(Cc2cc3cc(C)ccc3[nH]c2=O)S(=O)(=O)c2cccc3nsnc23)c1 924955 BBLUISCWKFKJGD-UHFFFAOYSA-N 504.637 4.583 0 40 KJAB Cc1ccc2nsnc2c1S(=O)(=O)N(Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 925498 UQPHQVMBSUASHK-UHFFFAOYSA-N 504.637 4.849 0 40 KJAB COc1ccc(NC(=O)[C@H]([C@H]2CC=CCC2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1 1418970 OHUBFXXLXWVZAE-ZTOMLWHTSA-N 527.600 4.971 0 40 KJAB Cc1sc(NC(=O)CN2CCc3ccccc3C2)nc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 6173207 NKLRIWBLQWSJGP-UHFFFAOYSA-N 544.702 4.867 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3ccc(C(C)C)cc3)[C@H](C(=O)NC3CCCC3)c3ccncc3)n2)o1 6281271 QGXADWHCURZHOZ-MHZLTWQESA-N 527.629 4.593 0 40 KJAB CCOc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)Cc2ccc(OCC)c(OCC)c2)cc1OCC 8400088 XYCYOQOQDKVBDL-DNQXCXABSA-N 526.674 4.610 0 40 KJAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(OCc4c(C)noc4C)c3)ccc2OC)cc1 8686898 XKEAEPFHGBHIRR-UHFFFAOYSA-N 537.594 4.941 0 40 KJAB Cc1cccc(-n2c(SCC(=O)Nc3ccc(S(C)(=O)=O)cc3)nnc2-c2c[nH]c3ccccc23)c1 12532766 PJLDFRXFDLDIBQ-UHFFFAOYSA-N 517.636 4.858 0 40 KJAB CCN(CC)CCCN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 12709103 MPDHQNNMGXGYOT-UHFFFAOYSA-N 501.027 4.965 0 40 KJAB CCc1cccc(CC)c1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC(C)(C)CC)c1cccn1C 13561442 SRFGGOCOZQNALX-MUUNZHRXSA-N 514.674 4.974 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)c2ccc(Cl)cc2)cc1OC 13646464 BRDWCWGJBHPRKV-KRWDZBQOSA-N 501.004 4.530 0 40 KJAB Cc1ccc(SCCNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1 13680723 JJXSDNFKSHJWFP-QGZVFWFLSA-N 501.501 4.752 0 40 KJAB CCc1nnc(NS(=O)(=O)c2ccc(-n3c(C45CC6CC(CC(C6)C4)C5)n[nH]c3=S)cc2)s1 15021579 IRIKHPXYFDGJSX-UHFFFAOYSA-N 502.691 4.612 0 40 KJAB Cc1cccc(-c2noc(-c3cn(CC(=O)NCCc4ccc(Cl)cc4)c4nc(C)ccc4c3=O)n2)c1 21655407 ZADLEQRVKMETBZ-UHFFFAOYSA-N 513.985 4.743 0 40 KJAB CCOC(=O)c1c(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)sc2c1CCCC2 26116452 JLYRTBRVUHSLJN-UHFFFAOYSA-N 522.714 4.952 0 40 KJAB COc1cc(/C=C/C(=O)OC[C@@H]2[C@@H](c3cc(OC)c(O)c(OC)c3)OC[C@@H]2Cc2cc(OC)c(O)c(OC)c2)ccc1O 29042359 NTYDMYPTASSNQW-XMFFLOPHSA-N 596.629 4.649 0 40 KJAB biogenic O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 59331777 WRMRMBGZRRDCKP-UHFFFAOYSA-N 517.438 4.605 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3cc(C)n(C)c3C)c2=O)=N1 59437481 BVRUCKVCGSWZCM-XQNWCSQWSA-N 524.690 4.953 0 40 KJAB C[C@H](NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 59444554 NTYJGDFHZGRSIE-IBGZPJMESA-N 501.446 4.560 0 40 KJAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)cc2)n1 59853421 UVZKOSLCUYABCG-UHFFFAOYSA-N 579.704 4.543 0 40 KJAB CCOC(=O)c1cc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1Cl 60060783 IKKZDAWIMQJXBU-UHFFFAOYSA-N 547.029 4.676 0 40 KJAB CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2cc3c(cc2s1)OCO3 60210035 ADWMAUJHNZPWOR-UHFFFAOYSA-N 558.726 4.578 0 40 KJAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccc(F)cc1 70704400 MVTBSMKATUIRGG-XHAZDJPGSA-N 538.623 4.624 0 40 KJAB biogenic Cc1ccc(CNC(=O)CCCCCN2CCN(CCCCCC(=O)NCc3ccc(C)cc3)CC2)cc1 91302241 LKOYHGGYKKJWOZ-UHFFFAOYSA-N 520.762 4.974 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)S(=O)(=O)c2ccccc2)cc1OC 98044814 ANRYTODBXMXSCM-UHFFFAOYSA-N 609.726 4.955 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(c3ccc(F)c(Cl)c3)[C@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)cc1OC 100287433 OZHCEGWCCVVFBP-VWLOTQADSA-N 585.036 4.740 0 40 KJAB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4cccc(Br)c4)cc3)CC2)cc1 100357675 IVQSPVFKCCBVBO-UHFFFAOYSA-N 537.483 4.847 0 40 KJAB COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2cccc(C)c2C)c1OC 100365455 NQMBUQYOPLXPKN-LJAQVGFWSA-N 541.652 4.899 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(C(=O)CCC(=O)Nc1cc(C)on1)c1cc(OC)ccc1OC 100415920 FOYRAAUKAICZMV-MUUNZHRXSA-N 596.681 4.815 0 40 KJAB CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CCN(c3ncccn3)C[C@@H]12 101391699 IXMFCGISHNRPLY-RCZVLFRGSA-N 526.950 4.809 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(F)cc4)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC 101505740 DNCGMYMVQFQPDV-JLHDDXNDSA-N 632.710 4.932 0 40 KJAB COc1c(O)cc2oc(-c3cc(CC[C@@H](C)COC=O)c4c(c3)CCC(C)(C)O4)c(OC)c(=O)c2c1O 102165650 BMIYNOPDDLPHPG-OAHLLOKOSA-N 512.555 4.734 0 40 KJAB biogenic O=C(CSc1ncc2c(n1)-c1ccccc1N(Cc1ccc(Cl)cc1)S2(=O)=O)NCc1ccccc1 102452029 KMAFRHANWRWNAD-UHFFFAOYSA-N 537.066 4.914 0 40 KJAB CCOC(=O)c1sc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4Cl)[C@H]3C2=O)c(C(=O)OC)c1C 102481967 GSQZDYYGRHMAIA-NJYVYQBISA-N 555.008 4.724 0 40 KJAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1ccccc1 102746139 MNBFKRRRPRIYNW-PVHODMMVSA-N 526.570 4.505 0 40 KJAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)ccc2C)cc1 103013176 BMFLEWGIXOVSOK-UHFFFAOYSA-N 540.601 4.756 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3sccc3c(=O)n2-c2ccccc2)c1 103064468 SNEHSTCKOQNJEP-UHFFFAOYSA-N 563.126 4.862 0 40 KJAB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4cccc(Br)c4)cc3)CC2)c1 104146926 PARHNNNAOACSRW-UHFFFAOYSA-N 583.508 4.556 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4ccc(OC)cc4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 105499290 NUMXZUQDGHCHBC-FHMSYZJOSA-N 600.718 4.748 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 105500241 DUDUNBXKWQVPOE-ZDZYTSRMSA-N 623.525 4.740 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC 106706489 MTPOTVNOFUYTOU-ODLFYWEKSA-N 520.401 4.945 0 40 KJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 107175575 JLXVOHCEACNGOK-YCAMKHIRSA-N 521.470 4.999 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(Br)c(Cl)c2)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 109795741 GLHFDLLOGDKILS-AWEZNQCLSA-N 566.909 4.873 0 40 KJAB O=C(NCc1ccc(CN2CCCCC2)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 139889528 OGQRYMPAPWSZHU-MHZLTWQESA-N 540.085 4.599 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 222814599 AZQAXRUHIROFLD-MUUNZHRXSA-N 611.761 4.548 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 222830434 SLBVWAFIQGHFSH-SANMLTNESA-N 576.546 4.780 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 222831254 TVIYOEUHXOYLHA-AREMUKBSSA-N 606.572 4.934 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 222928444 QSRSHNISGSXIKU-HSZRJFAPSA-N 548.492 4.742 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 222943823 FZSUKHSUBURJHA-SANMLTNESA-N 542.101 4.706 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 222975725 IDKDZYYLVVACNA-JOCHJYFZSA-N 602.153 4.886 0 40 KJAB CCOc1ccccc1N(CC(=O)NCC1(c2ccccc2)CCOCC1)S(=O)(=O)c1ccc(SC)cc1 223017616 HSJRHTYMEYECPA-UHFFFAOYSA-N 554.734 4.867 0 40 KJAB COc1ccc(CN(C(=O)CCCN2C(=O)c3cccc4cccc2c34)[C@@H](C)C(=O)NC(C)(C)C)cc1 223087168 XDMRLFVEVNXMRZ-FQEVSTJZSA-N 501.627 4.921 0 40 KJAB 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CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCc2ccccc2F)cc1 12628179 BCWRJOZCJGYLHV-DEOSSOPVSA-N 509.578 4.937 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 13669864 PCCFATOAUJUDOT-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB O=C(C[C@H]1C(=O)N(CCc2ccccc2)C(=S)N1CCc1ccc(Cl)cc1)NCCc1ccccc1 13898731 PGDFCWFRXQXXRW-SANMLTNESA-N 520.098 4.672 0 40 KJAB O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 13987269 PYGUSLXXHWDCPK-UHFFFAOYSA-N 517.529 4.995 0 40 KJAB COc1cc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)c3ccc(C)cc3)CC2)cc(OC)c1OC 14291237 UQVRCCQYNVTQAI-UHFFFAOYSA-N 524.017 4.889 0 40 KJAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 20006273 CGLLAOCKJUMEFD-FQEVSTJZSA-N 512.937 4.896 0 40 KJAB CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCc3cccs3)C2=S)cc1 22118549 PWPHWLGMIPDSPH-HSZRJFAPSA-N 509.653 4.729 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2)c2cccc(C)c2)cc1 22275273 IDVREBMQMHUTDI-UHFFFAOYSA-N 520.392 4.742 0 40 KJAB Cc1ccc(Nc2nc(C(=O)N3CCC(C(=O)N4CCN(Cc5ccccc5)CC4)CC3)cs2)cc1C 23157096 LXCPCFFTNNFUMQ-UHFFFAOYSA-N 517.699 4.700 0 40 KJAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1 25693771 KEMRZRCRVZRAFL-AIGMYPEUSA-N 518.610 4.504 0 40 KJAB O=S(=O)(c1ccccc1Br)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 33012146 JANWKJGVGTVPBU-UHFFFAOYSA-N 515.458 4.632 0 40 KJAB COc1ccc(CN(C)C(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1OC 44884187 WFSOUMNYEZSJIX-UHFFFAOYSA-N 503.020 4.520 0 40 KJAB CCOC(=O)c1oc2ccc(Br)cc2c1CN1C(=O)N[C@](CC)(c2ccc(F)cc2)C1=O 48325336 IGSCBMGYOKVJCI-HSZRJFAPSA-N 503.324 4.868 0 40 KJAB C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@H](c1ccccc1OCC(=O)O)CC(=O)O3 79193934 WGDQYZNWTBNEKJ-DDPZGAOPSA-N 522.550 4.778 0 40 KJAB COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 96114493 QNIJAOJFIQFZNC-KRWDZBQOSA-N 506.507 4.592 0 40 KJAB biogenic CCOC(=O)C1=C(COC(=O)/C=C/c2c(C)nn(Cc3ccc(C)cc3)c2Cl)NC(=O)N[C@@H]1c1ccccc1 97980012 KUADKSVGYZHGOF-ZUSJUXBOSA-N 549.027 4.629 0 40 KJAB CCCC(=O)OC(OC(=O)CCC)OC(=O)C1=C(C)NC(C)=C(C(=O)O)[C@H]1c1cccc(Cl)c1Cl 100021571 MJLGXTKOWRZXIB-HXUWFJFHSA-N 528.385 4.826 0 40 KJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100281601 FCGAJNUNYXGWCN-BVWJVYMTSA-N 514.931 4.962 0 40 KJAB Cc1sc2nc(Cc3ccccc3)n3c(SCC(=O)N4CCN(c5ccccc5)CC4)nnc3c2c1C 100427678 NJKOTSPMTQYFKQ-UHFFFAOYSA-N 528.707 4.988 0 40 KJAB CCOCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CC)Cc3ccccc3)cc2)sc2cc(C)ccc21 100873290 XTPLNRLFKIDWAE-ZIADKAODSA-N 537.707 5.000 0 40 KJAB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Br)c1OCCOc1cccc(C)c1 101025142 OEIWYCUNVBORPY-HAHDFKILSA-N 537.435 4.994 0 40 KJAB COc1ccc([C@@H]2CC(c3cccc4ccccc34)=NN2C(=O)CN2N=N[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]32)cc1 102831399 NRKYFGFNINKMPH-GNSPLJBXSA-N 576.588 4.659 0 40 KJAB CCCn1cc(C(=O)N(Cc2ccccc2)C(C)C)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 102920286 SAKFPIGQDAUYKW-UHFFFAOYSA-N 544.121 4.508 0 40 KJAB NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(CSc3nc4ccccc4s3)n2Cc2ccccc2)c1 102987581 RYNDKLULJDGGDF-UHFFFAOYSA-N 582.758 4.607 0 40 KJAB COc1cc(C(=O)N[C@@H](CCSC)C(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc(OC)c1OC 103060036 GFRGEMCLDVUHIF-QFIPXVFZSA-N 557.665 4.846 0 40 KJAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)cc1 103101522 XPEWCPODIDHNRE-JGCGQSQUSA-N 609.704 4.977 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC 163983361 FDOCPDOBDAUVKO-RGFRMHDHSA-N 696.563 4.999 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1OCC(=O)OC 214923173 XNQSEFVACRGARL-YBFXNURJSA-N 506.374 4.636 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1nnc(SCc2ccccc2)s1)c1ccc(Cl)c(Cl)c1 222672157 GQMBRBIOPNTIGH-UHFFFAOYSA-N 503.458 4.542 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 222729039 KSFCPOKLSFMNSA-DEOSSOPVSA-N 565.736 4.839 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 222803216 DVLQBTKTLXYMJU-HHHXNRCGSA-N 600.579 4.627 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 222833464 YRQXATLIIZVCRJ-GOSISDBHSA-N 598.043 4.726 0 40 KJAB O=C(NC[C@H]1CCCO1)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl 223029424 GXTXLTVDGQYVGH-RSXGOPAZSA-N 507.030 4.654 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 223245255 MSGHBYPYPMYKOY-YTTGMZPUSA-N 599.753 4.975 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1cccc(C)c1)[C@@H](CC)C(=O)NC(C)(C)C)S(C)(=O)=O 223264500 YLDNVKVLDCBRBN-DEOSSOPVSA-N 545.746 4.662 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223264746 BJDMLKMRFYRZNA-QHCPKHFHSA-N 569.699 4.504 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223288304 LNYBMCJYZAUMIT-RUZDIDTESA-N 596.071 4.901 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223429420 YMVRZXGVHZOAGT-AREMUKBSSA-N 615.699 4.653 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)NCc2ccccn2)c2ccccc2)cc1 223451404 DFKLHHTUWSZXPA-HKBQPEDESA-N 588.705 4.538 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C)c(C)c2)c2ccc(C)cc2)cc1Br 223734502 ZEPGSBVYNLYTLE-UHFFFAOYSA-N 561.498 4.773 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 223983702 OUWBSUZDBHMGLG-VAVYLYDRSA-N 579.763 4.633 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cc(C)ccc2C)c2ccc(Cl)cc2C)cc1 223989117 RZTKMFFLDFKZEZ-UHFFFAOYSA-N 501.048 4.964 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)(C)C)cc1Br 223996505 XMEYSCPKELJIQY-QGZVFWFLSA-N 505.453 4.687 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C(C)(C)C)cc1Br 224038263 FRGIMXQQJKOAFX-KRWDZBQOSA-N 505.453 4.687 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 224079783 OAPBABKPLFVWPL-JOCHJYFZSA-N 542.101 4.725 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 224671183 QQWSZPFKYLFZDU-VWLOTQADSA-N 535.710 4.751 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 224916394 GBDGBRBRWJLONN-LJAQVGFWSA-N 565.736 4.779 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 224992842 QNDXLTIZQNJUTC-AREMUKBSSA-N 604.542 4.519 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c(C)c1 225183695 UGMHHJVSMXNPRD-NRFANRHFSA-N 578.573 4.698 0 40 KJAB Cc1cc(C)cc(N(CCCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)c1 225376615 JBKNTDSRFPSUTI-QFIPXVFZSA-N 507.656 4.979 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 225394908 DDNFOILFSMFIKG-HHHXNRCGSA-N 602.153 4.886 0 40 KJAB COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)cc1 225461569 KRXSYXWZIJHXFM-FTJBHMTQSA-N 533.679 4.738 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 225503562 UGHMTWILKHMLMH-SSEXGKCCSA-N 573.690 4.716 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225633675 ORGJCWFVTVKQQA-AREMUKBSSA-N 606.572 4.934 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCCNc2ccnc3cc(Cl)ccc23)cc1OC 226012027 XYRYAGOWVYKLDO-UHFFFAOYSA-N 597.137 4.757 0 40 KJAB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C[C@H]1C[C@H]3OC(C)=O 253505302 GVIZCQOBODPSLY-KEDHBCPCSA-N 504.664 4.887 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)c2cc(C)cc(C)c2)cc1OC 260740847 MYGLQVIJVOZMCH-RUZDIDTESA-N 595.762 4.766 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)c2ccc(Cl)cc2)cc1 260751084 PNBCQKPNDOSTON-JOCHJYFZSA-N 572.127 4.794 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 260771459 WJGZBPLAEBITQJ-XMMPIXPASA-N 551.709 4.531 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3nnc(SCc4ccccc4)s3)Oc3cc(C)ccc32)cc1 260808202 GTDLMXOXVXSUOZ-HSZRJFAPSA-N 568.702 4.742 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1 260875638 GTLGOTHLPYOPLG-RUZDIDTESA-N 565.736 4.779 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)c2ccccc2C)cc1 260893566 LZGBLKDGTNAZMF-AREMUKBSSA-N 549.737 4.731 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 260894441 GLTYJBUMIKKPSR-SSEXGKCCSA-N 591.774 4.859 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 260982040 OGNXUZHIWAUCBG-DQEYMECFSA-N 565.736 4.839 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 408545117 PIUVPBZQTVNGLR-UHFFFAOYSA-N 529.684 4.695 0 40 KJAB CC(C)NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2cc(Br)ccc21 408574212 FXRHACOIKQHMPY-UHFFFAOYSA-N 512.191 4.558 0 40 KJAB COCCCNC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 408604555 HBHHBOUZAKRDLI-UHFFFAOYSA-N 544.073 4.557 0 40 KJAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(Cl)c1 408636381 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257310753 UGKFHMBBFGBBQS-GDLZYMKVSA-N 528.141 4.785 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@H](CC)C(=O)NC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 260705108 HOXKKTBTGJJPOR-GDLZYMKVSA-N 641.787 4.638 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC)S(C)(=O)=O)cc1 260769245 XHWXEJWWBCXGLD-MUUNZHRXSA-N 586.154 4.671 0 40 KJAB CCc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 260789865 LJCRVEMBPKREQM-RUZDIDTESA-N 561.748 4.963 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)cc1 260804213 RDAFKYJFJRVBEZ-RUZDIDTESA-N 577.747 4.983 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(=O)NCC(C)C)S(C)(=O)=O)cc1 260868289 DDZRHACBJJARSM-HHHXNRCGSA-N 529.747 4.683 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 260939110 RNFBKZJIRWWMHB-SSEXGKCCSA-N 613.727 4.828 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)[C@H](C)C(=O)NC(C)(C)C 260951072 JXFCSZDDBYNWKX-JOCHJYFZSA-N 539.673 4.661 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)c1 260956619 WGKFZJQBJRUXJE-XMMPIXPASA-N 553.700 4.827 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 261078443 QTKWZJULJLZNNG-JOMNFKBKSA-N 592.806 4.779 0 40 KJAB O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl 408545152 ZGFHVWXUTWTYIA-UHFFFAOYSA-N 512.850 4.791 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Br)c1O[C@@H](C)CC 408550413 HAWDXILUUJHNMX-QCUKBLKESA-N 511.438 4.684 0 40 KJAB Cc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(F)cc2)cc2cc(Br)ccc21 408577642 QFVLGAHWYVDTSH-UHFFFAOYSA-N 509.335 4.812 0 40 KJAB CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)S(C)(=O)=O)cc1 408602935 DGNQWONWXQAFAT-KRWDZBQOSA-N 501.004 4.763 0 40 KJAB COc1cccc(NC(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1 408680503 HWJLVPCEOXGPSJ-BYVQZYKMSA-N 558.590 4.887 0 40 KJAB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Cl)ccc5O)c(=O)n42)c2ccccc2CC3)c1 408783677 PYUZHHWCXWWSTB-GVMLUORFSA-N 501.007 4.686 0 40 KJAB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Br)c1OCC(=O)Nc1ccccc1 408901791 CGQXXJBUDKYYKH-HMAPJEAMSA-N 550.434 4.636 0 40 KJAB CC[C@H](C)Oc1c(I)cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 409019498 ZKIRPDOERGFBII-SGPNVBEDSA-N 524.330 4.709 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(OC)cc3C)c2=O)=N1 409035314 SBEDIRQZNPCNDU-ZDGAQAAHSA-N 585.520 4.667 0 40 KJAB O=[N+]([O-])/C=C\c1cc(I)c(OCc2ccccc2F)c(I)c1 409087377 YOIZBURJPJAYMD-WAYWQWQTSA-N 525.055 4.861 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409093691 BCRQQODKYTVVAS-PRWBYUBPSA-N 639.797 4.988 0 40 KJAB O=C(Cn1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c2cc(Br)ccc21)NC[C@H]1CCCO1 409129831 VBHJUKUKLOEJSI-XMHNKCIGSA-N 554.466 4.936 0 40 KJAB O=C(O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc(I)cc3)c(I)c2)C1=O 409136442 RHFNVHVOMFSWNZ-LZYBPNLTSA-N 621.190 4.596 0 40 KJAB O=C(Cn1cc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc21)NC[C@@H]1CCCO1 409148758 RGSYQBVXNOYIFT-QMFCMINHSA-N 538.025 4.509 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)c(Br)cc1O 409157561 PRJSBXQWNMZZDD-IDUWFGFVSA-N 509.403 4.560 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)c(Br)cc1OCc1ccc(Br)cc1 409190123 KWWWZXWFLBOHHX-LZYBPNLTSA-N 510.182 4.712 0 40 KJAB COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409220887 HIPZOCMTJUMCFC-WSDLNYQXSA-N 615.399 4.858 0 40 KJAB CCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 409309218 DABUQPPXXZSPQF-UHFFFAOYSA-N 544.471 4.731 0 40 KJAB COc1cccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)c1 409335168 KCJPVABYRBKETH-UHFFFAOYSA-N 562.673 4.760 0 40 KJAB CC(C)[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1C 409340636 AENYLJJSYULPBL-HSZRJFAPSA-N 561.539 4.690 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(Cc4ccccc4Cl)c4ccccc43)c(=O)n2[C@@H]1c1ccccc1OC 409388992 OIMNBSDJPFGTLV-PBAWISNSSA-N 627.166 4.683 0 40 KJAB CC(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)c2cn(C)nc2C)Cc2cc(-c3cccnc3)ccc21 643566014 OIMBGQSNAGBYFV-UHFFFAOYSA-N 536.680 4.692 0 40 KJAB Cc1nn(C)cc1C(=O)N1CCC2(CCCCc3ccccc3OCCN(Cc3ccncc3)C2)CC1 643568815 LJBADCAWPIRREJ-UHFFFAOYSA-N 501.675 4.654 0 40 KJAB CC(C)CN1CCOCCOc2ccc(C(=O)NCc3cccc(CN4CCOCC4)c3)cc2Cc2cccc(c2)C1 643580812 VOYHPWXTOHUPCX-UHFFFAOYSA-N 571.762 4.907 0 40 KJAB COC(=O)c1sc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)c(C(=O)OC)c1C 670852 PDYQVOOFGNUOHL-UHFFFAOYSA-N 504.520 4.826 0 40 KJAB COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2cccs2)c1 901443 VBBGQEKXRLLDAF-SANMLTNESA-N 503.628 4.725 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(COc4cc(C)cc(C)c4)c3)c(=O)n2[C@@H]1c1ccccc1 2108803 JZPYJQONVDCMCM-NULZLWRNSA-N 554.668 4.613 0 40 KJAB CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C2=C(N=3)c3ccccc3CC2)cc1 2156834 RIBSFNYSIVNNTB-NULZLWRNSA-N 524.642 4.735 0 40 KJAB CCCCNC(=O)c1c(NS(=O)(=O)c2ccccc2)n(Cc2ccccc2)c2nc3ccccc3nc12 2307662 PURMICVUBUVLRJ-UHFFFAOYSA-N 513.623 4.964 0 40 KJAB CCOC(=O)c1c(NC(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)sc(Cc2ccc3c(c2)OCO3)c1C 3294875 SAIHQIYVDLWBHJ-QFIPXVFZSA-N 528.410 4.618 0 40 KJAB COc1ccc(OC)c(Nc2nc(Nc3ccc(C(=O)O)cc3)nc(Nc3cc(OC)ccc3OC)n2)c1 4643047 LJUDVBFWJGAKFZ-UHFFFAOYSA-N 518.530 4.835 0 40 KJAB CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1Cl 8400678 HJIMCYYQNDJRQS-ZDLGFXPLSA-N 523.394 4.919 0 40 KJAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1 9459752 DSYJFDZCOCFESX-HAHDFKILSA-N 511.994 4.880 0 40 KJAB COc1cccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(=O)(=O)c2cc(C)ccc2OC)c1 10300006 GZWMPNHIVKEVCE-UHFFFAOYSA-N 508.518 4.865 0 40 KJAB COc1ccc(-c2nnc(S[C@@H](CC(=O)NCc3ccco3)c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1 12080497 KFAHETRECBZBIC-QFIPXVFZSA-N 524.599 4.639 0 40 KJAB COc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1S(=O)(=O)Nc1ccc(Br)cc1 12546622 HYRWXKCKKSCIHA-UHFFFAOYSA-N 520.405 4.658 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)c(OC)c1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C 13024141 KNEZMKBTUGOWBI-MUUNZHRXSA-N 529.641 4.836 0 40 KJAB COc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2)cc1OC 13030564 OEHVHIVUNYKZIC-GDLZYMKVSA-N 529.641 4.694 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 13494482 QYMRFGNLLGZBQP-QHCPKHFHSA-N 518.618 4.551 0 40 KJAB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4OC)[C@@H]3C2=O)cc1 13768493 USMLGOCMAVDZAG-QKDODKLFSA-N 518.566 4.552 0 40 KJAB CCOC(=O)c1sc(NC(=O)CSc2nnc(CSc3nc4ccccc4s3)o2)nc1C 17146868 IEKUEVWIRIUZEU-UHFFFAOYSA-N 507.644 4.644 0 40 KJAB CCS(=O)(=O)c1ncc(N(Cc2ccc(F)cc2)Cc2ccco2)c(C(=O)Nc2ccccc2C)n1 27795020 ZBAZPJNSJMEVIC-UHFFFAOYSA-N 508.575 4.770 0 40 KJAB COc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](CN4CCN(c5ncccn5)CC4)C=C3C)o2)cc1 30883294 IRLADLDBNAPGGE-GNKBHMEESA-N 502.663 4.755 0 40 KJAB biogenic,in-vitro O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cccc(I)c1 34933245 PDEVIYSSYXKBDT-UHFFFAOYSA-N 502.695 4.998 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 66113975 LVQGHDXZJDFTQN-CBPRFPNYSA-N 620.683 4.991 0 40 KJAB COc1ccc(CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H]3c4ccccc4C(=O)N23)cc1 70701541 WTKPXYVYKIXQDQ-GSBZAIBZSA-N 564.686 4.536 0 40 KJAB biogenic CCOCOc1cc(OCOCC)c(C(=O)[C@H]2O[C@@H]2c2ccc(OCOCC)c(OCOCC)c2)c(OCOCC)c1 72130478 WRWKJNHZPLBAPY-LOYHVIPDSA-N 594.654 4.873 0 40 KJAB in-vitro O=C(C[C@H](C1=Cc2ccccc2OC1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12)N1CCOCC1 96114640 UEMDYFFUZCEBSB-JOCHJYFZSA-N 525.557 4.680 0 40 KJAB biogenic Cc1cc(OCC(=O)N[C@H]2CCCC[C@@H]2NC(=O)COc2ccc(Br)c(C)c2)ccc1Br 97940344 AINVNEXFQBHMIQ-VXKWHMMOSA-N 568.306 4.830 0 40 KJAB O=C(c1ccccn1)C1[C@](O)(c2ccccn2)CC(c2ccc(Br)cc2)C[C@]1(O)c1ccccn1 100224669 WCMYMURTCHSGSY-VTUOMVMHSA-N 530.422 4.786 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)C1=O)Nc1ccc(F)cc1 100353533 PTQLJESPUJWXNS-OPEKNORGSA-N 572.574 4.823 0 40 KJAB COc1ccc(CCNC(=O)[C@H](c2ccc(F)cc2)N(Cc2ccco2)C(=O)c2ccc3c(c2)OCCO3)cc1OC 100394413 UETMDBODGMDEFZ-PMERELPUSA-N 574.605 4.950 0 40 KJAB COc1cc(-c2cc(C)c3c(OC)ccc(OC)c3n2)cc2c1OCCN(C(=O)C[C@@H]1NC(=O)c3ccccc31)C2 101847071 GCUPMUMAROZWHJ-DEOSSOPVSA-N 553.615 4.832 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 102416004 VKLCEJOPLCFTLH-UHFFFAOYSA-N 545.864 4.737 0 40 KJAB O=C(Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 102957503 VFCLQEXIJOROBS-UHFFFAOYSA-N 553.017 4.770 0 40 KJAB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)ccc1O 104656623 WYNZPODULBJPOB-LMSRTUJASA-N 545.458 4.795 0 40 KJAB Cn1ccc2cc(NC(=O)C3(N(Cc4cccnc4)C(=O)CN4C(=O)c5ccccc5C4=O)CCCCC3)ccc21 106150418 RYIGVLHPGUXVFX-UHFFFAOYSA-N 549.631 4.540 0 40 KJAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2cc(Cl)c(OC)c(Cl)c2)CC1 106201829 AGQHRBWSLUIEBU-UHFFFAOYSA-N 529.877 4.841 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)cc2)cc1 107861146 ASEIFYJVCNMDKH-UHFFFAOYSA-N 583.663 4.859 0 40 KJAB CCOc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)cc1OCC 139672361 UJVSEYKMGRPEIB-GOSISDBHSA-N 553.519 4.666 0 40 KJAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccccc4C)c3)cc2)n1 215967362 MFBXJDVIHWHMPO-UHFFFAOYSA-N 586.095 4.909 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1OC 222694220 QSMLPMDTSQEOEN-JOCHJYFZSA-N 501.410 4.767 0 40 KJAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@@H](C)C(=O)NCCc2ccccc2)cc1 222941502 IQVNKGILNMIMLH-DEOSSOPVSA-N 619.715 4.790 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCCc2ccccc2)cc1 223020097 JLOMQJGBZWUQRZ-XIFFEERXSA-N 597.781 4.916 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 223163453 XQVYRYKJCNJBLW-DEOSSOPVSA-N 546.064 4.536 0 40 KJAB O=C(NCc1ccncc1)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 223169807 SCOWVDBRYZHDJD-XIFFEERXSA-N 628.770 4.894 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223201504 KBRDAXPPIXSRQD-NRFANRHFSA-N 542.529 4.790 0 40 KJAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)cc1 223230907 WMLMKYQUNMFCBW-CWTKIQHKSA-N 675.779 4.949 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1cc(OC)cc(OC)c1 223352816 MDAUHBIWRJYJLW-BTYSJIOQSA-N 518.654 4.946 0 40 KJAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 223479460 VGFJHWUUOOJWSC-HHHXNRCGSA-N 553.750 4.508 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 223560110 XFFTXNCDCOORCG-SKCUWOTOSA-N 616.180 4.678 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223607005 DHHIRMCNTDHMDC-SANMLTNESA-N 576.546 4.844 0 40 KJAB Cc1cccc(CN(C(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1 223806627 IVHZKKQOCWQWQV-DEOSSOPVSA-N 527.731 4.634 0 40 KJAB 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CCc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 224915044 XDUUKHHCBZZHLX-NDEPHWFRSA-N 570.155 4.833 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1 224991374 CIPOCNLJMCVVMX-NDEPHWFRSA-N 614.606 4.997 0 40 KJAB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 225068825 PZKQNXUJCLZCBS-SANMLTNESA-N 614.551 4.837 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 225080650 DBXOKHPZBNXENT-XMMPIXPASA-N 578.573 4.780 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 225219353 DQLIRLGZECIIJA-DHIUTWEWSA-N 569.699 4.670 0 40 KJAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)CN(C4CCCCC4)S(=O)(=O)c4ccc(F)cc4)cc32)cc1 226008479 SAAKTAPHKZUFTO-UHFFFAOYSA-N 565.667 4.999 0 40 KJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@@](COc2ccc(F)cc2)(CC(=O)N2CCN(C)CC2)C1 257317334 VJIUGGKCMCVZKS-SSEXGKCCSA-N 569.077 4.908 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)cc1 260757864 COTHBIMLRWMHPU-GOSISDBHSA-N 570.539 4.634 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1 260914762 FVSLOTIRFPTHDH-JOCHJYFZSA-N 557.663 4.658 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)c2ccccc2OC)cc1 260929179 KBARSZALVPBHAX-JOCHJYFZSA-N 602.153 4.742 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 260991786 CWVVMVFKQBTDAK-DFHRPNOPSA-N 616.180 4.678 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl 261037193 YDXHBSMIIZNIHB-GOSISDBHSA-N 572.555 4.880 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(OCc2ccccc2)cc1 408548510 SVHBJPGWDWYJEB-UHFFFAOYSA-N 543.645 4.600 0 40 KJAB C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1)c1ccccc1 408598258 YMXXXMUHMNDEOZ-FPVCCHAOSA-N 517.695 4.516 0 40 KJAB COC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2 408602880 DCBJLJARYJFOKF-UHFFFAOYSA-N 505.017 4.511 0 40 KJAB O=C(Nc1ccc2c(c1)OCO2)C(=O)Nn1c(C(=O)Nc2cccc(Cl)c2)cc2cc(Cl)ccc21 408606342 LOVNJCFCLMNRBC-UHFFFAOYSA-N 511.321 4.638 0 40 KJAB Cc1cccc(N2CCN(C(=O)[C@H](C)N(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)CC2)c1C 408617173 IGLPQXGHDVSDCT-QHCPKHFHSA-N 507.656 4.599 0 40 KJAB COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(I)c(O)c(I)c3)C(=O)O)o2)c1 408635090 YRMAIGMFUGYXJU-WCSRMQSCSA-N 652.204 4.886 0 40 KJAB O=C(Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408646098 VLVCOTCNJVJWED-ADTNQPTRSA-N 537.399 4.509 0 40 KJAB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)c(C)c2C)CC1=O 408671677 TXHRPGOEIBAPNX-LJQANCHMSA-N 501.421 4.726 0 40 KJAB COc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1S(=O)(=O)NCc1ccccc1 408675796 KPIYRWHYRPRKRF-UHFFFAOYSA-N 555.700 4.721 0 40 KJAB CCOc1ccc(NC(=O)COC(=O)CCN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 408690940 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4.962 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 2124350 DQKBCZVGRQVGOG-VVNKCDPRSA-N 593.455 4.550 0 40 KJAB COc1ccccc1-c1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1-c1ccc(Cl)cc1 2664852 FISYASFTNAULDD-UHFFFAOYSA-N 505.987 4.674 0 40 KJAB O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)NCCc1ccccc1 2968748 VFGRWEMKKVATEO-QHCPKHFHSA-N 503.027 4.981 0 40 KJAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1ccccc1Br)c1cccs1 3291959 VWMLHVLUAYNELM-FQEVSTJZSA-N 511.397 4.759 0 40 KJAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(c4cccc(C)c4C)CC3)cc2c1 6134106 IECUHDKEWZXJDP-GDLZYMKVSA-N 541.700 4.947 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(O)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 8425450 IYYKIQYEEPQKFF-KECXRQEKSA-N 562.647 4.803 0 40 KJAB CCOc1ccc(/C=C(/NC(=O)c2ccc(OC)cc2)C(=O)Nc2ccc(C(=O)O)cc2)cc1OCC 8766838 GKTNTFHEQOGNTP-XQNSMLJCSA-N 504.539 4.600 0 40 KJAB biogenic COc1cc(/C=C2\N=C(c3cc(Cl)ccc3OC)OC2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 10042259 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WNROIDVUCLHESC-UHFFFAOYSA-N 533.046 4.528 0 40 KJAB CC(C)C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)NCCc1ccccc1 70701560 VIJOYHLRAUAJBH-TWLDFKIOSA-N 534.660 4.528 0 40 KJAB biogenic O=C(NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2 97980399 JPYZPWLNDZLJON-RHANQZHGSA-N 592.677 4.988 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@H](C(=O)NC3CCCCC3)c3ccco3)n2)cc1OC 100276916 YGAKONRZXMEKKO-NDEPHWFRSA-N 593.084 4.823 0 40 KJAB CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(CCc2ccc(OC)c(OC)c2)C(=O)Cn2nnc3ccccc32)cc1 100353472 XIGBXJNZWLNOJE-SSEXGKCCSA-N 573.694 4.575 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2cc(OC)cc(OC)c2)cc1 100353563 QGUGWTBNEKUCEW-NDEPHWFRSA-N 545.640 4.536 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1OC)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 100355786 BAOWQTAUXJZBOD-MHZLTWQESA-N 547.631 4.663 0 40 KJAB COc1ccc(NC(=O)CSc2nc3cc(OC)c(OC)cc3c3nc(CCn4nc(C)cc4C)nn23)cc1Cl 101308156 UCVICXCVJSLOHY-UHFFFAOYSA-N 582.086 4.744 0 40 KJAB Cc1cc(I)c2c(c1)C(=O)C(CN1CCC[C@H](C)C1)(CN1CCC[C@@H](C)C1)CO2 102667610 BNTHIZBZHTVGFG-QLCVBSLISA-N 510.460 4.625 0 40 KJAB ClC1=C(Cl)[C@]2(Cl)[C@]3(Cl)C(Cl)=C(Cl)[C@](Cl)(C34OCCO4)[C@@]2(Cl)C12OCCO2 103924671 FKRKMPMWKHWQSJ-SBFPOUOMSA-N 523.838 4.802 0 40 KJAB O=C(CSc1nc2ccccc2c(=O)n1CCn1c(SCC(=O)NCCc2ccccc2)nc2ccccc2c1=O)NCCc1ccccc1 150441344 KCJFCEXAZWOGRT-UHFFFAOYSA-N 704.878 4.709 0 40 KJAB O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 198273593 WUOXTSCRFKEOPJ-UHFFFAOYSA-N 631.003 4.939 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O 222730722 NPYXPQJSMDXWBA-RUZDIDTESA-N 552.458 4.756 0 40 KJAB C[C@H](NS(=O)(=O)c1ccc(CCC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1)c1ccccc1 222858246 QFFJTFVEJPGUGA-ZOYWYXQUSA-N 597.737 4.812 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 222930529 CLULISMHLGOTQG-XMMPIXPASA-N 521.683 4.503 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 223018555 KMVMGJOGYBCYEV-MUUNZHRXSA-N 535.710 4.867 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)c(Br)c(C)c1 223456165 CCYRGEZSODNSHY-LJQANCHMSA-N 505.453 4.787 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1Br 223502405 GYARUBFBPJQZMC-MRXNPFEDSA-N 511.844 4.824 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223589244 PFABSQBLFBLZEB-MHZLTWQESA-N 551.709 4.613 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 223690757 VHIBQNQZFVJROO-LJQANCHMSA-N 578.518 4.751 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 223729220 ZLUQHALJFHIHKT-QHCPKHFHSA-N 551.684 4.806 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 223780001 ZEUXBGSNBQYXGW-GOSISDBHSA-N 566.482 4.881 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(SC)cc1 223797270 SRRMLCVYIGMYSD-NRFANRHFSA-N 587.739 4.695 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 223807592 UAVSHGDLDCAAAX-XMMPIXPASA-N 536.138 4.953 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224171558 DGTHKXAXNILXRU-XMMPIXPASA-N 553.647 4.646 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)Oc3ccc(C(C)(C)C)cc32)cc1 224401419 BQGHULRCCASFRJ-HKBQPEDESA-N 655.839 4.619 0 40 KJAB COc1cccc(CN(C(=O)CCCN2C(=O)c3cccc4cccc2c34)[C@H](C)C(=O)NCC(C)C)c1 224447628 NCWABNXHDDMLFA-OAQYLSRUSA-N 501.627 4.778 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 224577285 IGDPPPMICVHWNG-GDLZYMKVSA-N 583.726 4.918 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224586615 RLJYSUQJTNCXGM-GDLZYMKVSA-N 623.772 4.774 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224626154 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Cc1cc(OCC2(O)CCN(Cc3cccc(OCCCN4CCCC4=O)c3)CC2)cc(C)c1Cl 585270040 AZQSEFKUSLNKME-UHFFFAOYSA-N 501.067 4.754 0 40 KJAB CCOc1ccccc1CN1CCC2(CCCCNC(=O)c3ccccc3OC[C@H](C(C)C)NC2=O)CC1 643588845 KIWAITOZGZBNBI-AREMUKBSSA-N 521.702 4.801 0 40 KJAB COC(=O)c1ccc(NC(=O)CC[C@@H](C)[C@H]2CC[C@@H]3[C@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@@H]4C[C@H](O)[C@@]32C)cc1 1889191870 BMJUCCRDGCHIRL-ZELDAEPSSA-N 541.729 4.789 0 40 KJAB O=C(NCc1ccc(F)cc1)[C@@H](c1cccs1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 888089 GKHJYMCPZKKBBO-HHHXNRCGSA-N 576.604 4.905 0 40 KJAB CC[C@@H](C)N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 1329373 IXXGIGDYFIRJCO-LJQANCHMSA-N 507.077 4.808 0 40 KJAB COc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCc1ccccc1)c1ccccc1F 1372511 MWJYCNLKGGZMTI-LJAQVGFWSA-N 523.568 4.670 0 40 KJAB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5c[nH]c6ccccc56)c(=O)n42)c2ccccc2CC3)cc1OC 2064100 QIWRZGPHQSWPRW-YVBHXKDBSA-N 519.626 4.817 0 40 KJAB O=C(NCc1ccccc1)C(=Cc1cc(Br)c(O)c(Br)c1)C(=O)NCc1ccccc1 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0 40 KJAB COc1ccc(NC(=O)C[C@H]2SC(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccccc3)=NC2=O)cc1 20491195 DZCRGIRXTSNKHK-LOSJGSFVSA-N 514.607 4.882 0 40 KJAB CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 33430211 UHDDTAVMYJGSQC-SFHVURJKSA-N 503.628 4.611 0 40 KJAB CC(C)N(C(=O)CO[C@@H]1[C@H]([C@@H]2COC3(CCCCC3)O2)O[C@H]2OC3(CCCCC3)O[C@@H]21)c1ccccc1 35229222 DAHHAWNSAVMYJT-KFRGZICISA-N 515.647 4.690 0 40 KJAB Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N(Cc3ccccc3)Cc3ccco3)cc2c1 57608515 XPNXGXIVMSDYIV-LBNVMWSVSA-N 524.625 4.695 0 40 KJAB COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC2CCC(C(=O)NCc3ccco3)CC2)c1 98049465 HHSOFAZRZZDQQX-UHFFFAOYSA-N 560.676 4.852 0 40 KJAB COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)[C@H](c3ccc(F)cc3)C2)cc1 100821347 ILGHLVZREIGHAZ-VWLOTQADSA-N 554.607 4.727 0 40 KJAB O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccccc1)Nc1cccc(C(F)(F)F)c1 103139044 TXMPRFSRGALJFL-UHFFFAOYSA-N 617.675 4.764 0 40 KJAB 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4.899 0 40 KJAB CCOC(=O)c1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC(C)(C)CC)c2cccc(OC)c2)cc1 100413841 CMWOWMCVNLBYCR-SANMLTNESA-N 565.692 4.743 0 40 KJAB O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(=O)n(-c3ccccc3)c(=O)n(Cc3ccc(Cl)cc3)c2c1 101432396 OSOGAMZVKYXDCX-UHFFFAOYSA-N 539.975 4.513 0 40 KJAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3ccccc3n2CCc2ccccc2)c1 102950054 WLUCIAZZWHEBTC-UHFFFAOYSA-N 529.087 4.914 0 40 KJAB COc1ccc([C@H]2[C@@H](C(=O)OC(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)OC2(CCCCC2)OC3=O)cc1OC 103543051 VTNNDIVEQRISJU-KKUQBAQOSA-N 576.646 4.649 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N(C)Cc3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 108450694 GTTLKBPHPXRUNE-SANMLTNESA-N 573.690 4.714 0 40 KJAB biogenic COc1cc(CN(C(=S)NC(=O)c2cc(Cl)cc(Cl)c2OC)C2CCCCC2)ccc1OCC(N)=O 112239894 VPPXHUZODXNJOF-UHFFFAOYSA-N 554.496 4.724 0 40 KJAB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)ccc1NS(=O)(=O)c1ccccc1 113619522 ZUVZDYOPQZOWCB-UHFFFAOYSA-N 539.610 4.988 0 40 KJAB 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CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](CC)C(=O)NC(C)C)c2ccc(C)cc2)cc1 222871999 XJQGNWHNNBHFMX-PMERELPUSA-N 595.762 4.930 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 223003347 DHZFJCDCELRHRX-NDEPHWFRSA-N 616.180 4.536 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 223110750 SEFWMMXRNBYGDC-VWLOTQADSA-N 562.519 4.536 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223300074 CTCQIYLYERRYKD-IBGZPJMESA-N 555.311 4.620 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 223417257 ZXBRFCRFDOHBFL-FREGXXQWSA-N 563.764 4.951 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 223450559 SQRDLJLNDLXQDX-HSZRJFAPSA-N 599.725 4.762 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 223559110 IRVASFKYKOOBOG-JOCHJYFZSA-N 586.552 4.815 0 40 KJAB 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224187542 ROIKOLTZOYSEDB-QFIPXVFZSA-N 538.676 4.734 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 224215590 MLJZNWWNDQBDBE-XMMPIXPASA-N 534.122 4.589 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 224317127 VOJAHJWJPDPEFC-VWLOTQADSA-N 546.064 4.618 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 224465863 WGIGACHVYAPRCR-HSZRJFAPSA-N 600.565 4.643 0 40 KJAB Cc1cccc(CN(C(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)c1 224726748 ASNOPBAGGZHJTI-DEOSSOPVSA-N 527.731 4.716 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 224785909 QJVVGSUMZNZRAT-HSZRJFAPSA-N 542.529 4.647 0 40 KJAB COc1ccc(C)cc1N(CC(=O)Nc1nnc(SCC(C)C)s1)S(=O)(=O)c1ccc(C)cc1 224871141 CRNSDDWURDLNBI-UHFFFAOYSA-N 520.702 4.746 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)cc1 224964268 WLIXNHAWUPDVQN-SFHVURJKSA-N 604.091 5.000 0 40 KJAB 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CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 225256078 VJLOXXXRBKLSJR-HHHXNRCGSA-N 539.673 4.663 0 40 KJAB CC[C@@H](NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)c(C)c1 225403778 VHFLXXYWCPPCAT-XMMPIXPASA-N 526.655 4.792 0 40 KJAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)ccc1NS(C)(=O)=O 225460890 NRIWGKJXMIHUCO-DQEYMECFSA-N 521.643 4.868 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)[C@@H](C)C(=O)NC(C)C 225486361 VKGKMQWTXGAFGU-QFIPXVFZSA-N 633.552 4.737 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 225609943 PDQMPHUJVRTIPG-GDLZYMKVSA-N 634.154 4.693 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 225651683 SREIELHWBKOSIQ-OPAMFIHVSA-N 580.044 4.986 0 40 KJAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1)c1ccc(OC)c(C)c1 225711271 ZTCBOOWIKPFBLT-QFIPXVFZSA-N 523.493 4.575 0 40 KJAB COc1ccc(CNC(=S)Nc2nc(N3CCN(c4ccccc4)CC3)cc(N3CCC[C@@H](C)C3)n2)cc1 225931326 WVYGFBHSQAGYJT-JOCHJYFZSA-N 531.730 4.535 0 40 KJAB Cc1cccc(CN(C(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1 260778883 JYDMDXNURFWOQT-JOCHJYFZSA-N 533.694 4.913 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 260817923 WQWXOMZAZWDABE-GOSISDBHSA-N 542.529 4.708 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1 408547449 JOOZIXWUHCAPFZ-UHFFFAOYSA-N 611.698 4.591 0 40 KJAB COc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2c(C)cccc2C)cc2cc(Br)ccc21 408574329 HBMAAAXHGHRJJQ-UHFFFAOYSA-N 535.398 4.990 0 40 KJAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1OC 408635497 CHWRNKPRFSLYKL-UHFFFAOYSA-N 511.383 4.829 0 40 KJAB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)c2ccc(OC(=O)c3cccc(OC)c3)cc2)CC1=O 408640354 AULXLFGTUCCVGD-DEOSSOPVSA-N 529.589 4.818 0 40 KJAB CC(C)[C@@H](C(=O)Nc1cccc(C(=O)O)c1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 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CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OC)c(I)c3)c(=O)n2[C@H]1c1cccs1 408911221 JLRCCJFNHYIZGE-VOZFUJEASA-N 628.513 4.610 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OC)c4OCC)c(=O)n32)cc1 408939041 AUDSOSHHQAQGTE-RBRLEXCSSA-N 569.683 4.680 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C2CCCCC2)cc1OC 409004727 QIJBYMPKDDNDIV-UHFFFAOYSA-N 514.688 4.509 0 40 KJAB CCOC(=O)COc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@H](c1ccc(OC(C)C)c(OC)c1)C(C(=O)OCC)=C(C)N=2 409038284 OYZSZPAAICVFSP-PQNXSAFSSA-N 644.746 4.689 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 409069233 WTCSVLRBBLJGKG-FPQGOQEYSA-N 577.453 4.772 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(C)c(Br)c4)c(=O)n32)cc1 409082706 QUMQBTYFERWCSN-MKWGYRPRSA-N 574.500 4.953 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409091958 WJVKRTGEJOUTAX-ZVHZXABRSA-N 668.488 4.856 0 40 KJAB 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COC(=O)c1ccccc1NC(=S)N(Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 920261 PKKDEKQWAFVBLW-UHFFFAOYSA-N 529.618 4.794 0 40 KJAB Cc1ccc(S(=O)(=O)NCC(=O)Oc2ccc3c(=O)c(Oc4ccccc4)c(C(F)(F)F)oc3c2)cc1 2275140 IQSONQFXBGQNNC-UHFFFAOYSA-N 533.480 4.796 0 40 KJAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3ccc4c(c3)S(=O)(=O)c3ccccc3C4=O)ccc21 3313118 XOSAZHWVPCHDCE-UHFFFAOYSA-N 538.581 4.987 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 6489117 WLPUDZUOBHGPBO-GVMLUORFSA-N 565.047 4.729 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccccc3Br)o2)sc(C(C)=O)c1C 6599458 ZIJLWMQCXKWHGF-UHFFFAOYSA-N 524.418 4.979 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cc2cccs2)c2ccc(-n3cnnn3)c(OC)c2)cc1 8686353 QYULQFSIEUYLLA-LJAQVGFWSA-N 574.707 4.897 0 40 KJAB COc1ccc(-n2nc(C(=O)N3CCCCC3)/c(=N/C(=O)c3nnn(-c4ccc(F)cc4)c3-c3ccccc3)s2)cc1 8770745 ZSXJBPGBHPIGMM-OVXWJCGASA-N 583.649 4.696 0 40 KJAB Cc1c(NC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@H](c5ccccc5)[C@@H](C4)[C@@H]3C2=O)ccc(Br)c1Cl 9590710 ISGFSWBIYHMBLB-PSROTBAVSA-N 501.808 4.774 0 40 KJAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)COc3ccc(Br)cc3)ccc2C)cc1 13109740 MMGDREJYCVAOAZ-UHFFFAOYSA-N 505.390 4.584 0 40 KJAB Cc1ccc(NC(=O)c2sc3nc(COC(=O)C4C[C@@H]5CCC[C@H](C4)C5=O)[nH]c(=O)c3c2C)c(C)c1 13109903 KPZAUVWJJWZRNG-JWTNVVGKSA-N 507.612 4.601 0 40 KJAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cc5ccccc5oc4=O)cs3)cc2)C1 17244719 VIDOMFLPIPDZTQ-CALCHBBNSA-N 523.636 4.835 0 40 KJAB Cc1ccccc1[C@@H](NC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)c1ccccc1 20047165 DVEWBIGDZPJXRH-WDYNHAJCSA-N 512.631 4.998 0 40 KJAB CCOc1ccccc1CNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 20105516 OCOAUENTYBCQHA-UHFFFAOYSA-N 517.445 4.668 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)S(C)(=O)=O)c(OC)c1 20237120 WLTDBYWNFXNKDX-UHFFFAOYSA-N 511.625 4.694 0 40 KJAB Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3cccs3)=NN2C(=O)CN2CCOCC2)cc1 22089459 HTXBJSVXMYBDTL-AREMUKBSSA-N 511.651 4.919 0 40 KJAB Cc1nn2c(ncc3c(=O)n(NC(=O)COc4ccc5ccccc5c4)ccc32)c1-c1ccc(Cl)cc1 40397687 ZTPAGZPYPAYGEI-UHFFFAOYSA-N 509.953 4.975 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3Cl)cc2)cc1Cl 59853487 BOHLYKZZFOYFNW-UHFFFAOYSA-N 528.439 4.726 0 40 KJAB CO[C@H]1C[C@H](C)[C@@H](OC)c2cc(O)cc(c2O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](OC(N)=O)/C(C)=C\[C@@H](C)[C@H]1OC 66138790 SVSFCSOFEPJFSF-RLHYILTGSA-N 560.688 4.979 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@]23C(=O)Nc2ccccc23)cc1 70699198 VLJHPKVUKWDOLM-BAAZAXTHSA-N 528.008 4.672 0 40 KJAB biogenic CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3cccc(C)c3)C2)cc1 97228249 OQATUUCEWUBJMY-DEOSSOPVSA-N 518.060 4.950 0 40 KJAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OCC)c(OCC)c(OCC)c3)o2)cc1 97963826 AOFWEOXFYLMRHQ-UHFFFAOYSA-N 546.646 4.606 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 100355754 DTIIRLVVAGUEBF-RUZDIDTESA-N 535.670 4.585 0 40 KJAB COC(=O)c1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cc(OC)c(OC)c(OC)c2)c1 100358303 WFIZENXJGICZEU-VWLOTQADSA-N 536.581 4.539 0 40 KJAB COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c2)cc1Cl 101490176 SIWPVOWUGLWIRD-XLSPSMHOSA-N 507.052 4.737 0 40 KJAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1)c1ccc(OCc2ccccc2)cc1 102076001 HFALMJXTOYRLED-WOMNCXHOSA-N 533.580 4.863 0 40 KJAB COC(=O)CN[C@H](c1ccccc1)c1cc(Br)ccc1NC(=O)[C@H](C)NC(=O)OCc1ccccc1 102899914 HZJPNHBSXHUMGE-AVRWGWEMSA-N 554.441 4.555 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1Br 103533623 DENQBTIWMONPDN-VGCGRUFVSA-N 547.380 4.870 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(C[C@H]4CCCO4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1OC 104923399 DBBXXMBNWWLJOX-METWRMKNSA-N 627.763 4.550 0 40 KJAB COc1ccc(CN(C)C(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 140083700 ALWSVABEAZJYAQ-UHFFFAOYSA-N 536.572 4.885 0 40 KJAB 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COC(=O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)c1 223997309 LSWCTYXIUGKVDC-CLJLJLNGSA-N 511.607 4.794 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224099765 GWVPHJNQSZCSMS-OAHLLOKOSA-N 593.371 4.854 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 224470599 DPMMOLIGIDEMBZ-HSZRJFAPSA-N 542.529 4.792 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 224522949 HQUPDGBFIBSVNU-MHZLTWQESA-N 572.127 4.796 0 40 KJAB C[C@H](CNC(=O)c1ccc(CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1)c1ccccc1 224680872 KEUGHPONWUBPRB-GOSISDBHSA-N 501.446 4.949 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)cc1 224741753 OJKCMRBGPRYNEG-IBGZPJMESA-N 554.540 4.934 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 224984941 NUDZHBGJDQYJOU-VWLOTQADSA-N 565.736 4.759 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 225078039 QEDDURBWDMVHOV-MUUNZHRXSA-N 535.710 4.832 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 225214785 GWABFMANDBMNDM-DNQXCXABSA-N 553.700 4.970 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 225221698 IFUSSGYAVWLLJH-QFIPXVFZSA-N 580.589 4.946 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225278289 WCSDILQCLNDPFR-QHCPKHFHSA-N 559.626 4.724 0 40 KJAB CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)cc1 225434994 UIYCPTIQQOHCFW-KAYWLYCHSA-N 563.705 4.828 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 225458996 JRKPTYVLJRJTRP-DEOSSOPVSA-N 551.709 4.531 0 40 KJAB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1)Nc1ccccc1 225537037 ZYMGRUINCSSBSX-IZZNHLLZSA-N 556.600 4.739 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 225549850 CCNMTHRYABAAHB-WJOKGBTCSA-N 569.727 4.885 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225608782 QJBKJOPSZXCGML-GDLZYMKVSA-N 636.170 4.939 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O 225648513 RFOVOUFSRMLZHR-IBGZPJMESA-N 572.555 4.880 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(I)cc1 225663176 SQPLPNOTCPQIEH-IERDGZPVSA-N 526.390 4.531 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3csc(C)n3)c2)C1 226049761 MQSHIHAGUGMHKB-QGZVFWFLSA-N 506.049 4.820 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 260790120 NEDDUSOKXKZCOS-JOCHJYFZSA-N 569.699 4.670 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 260923868 GWABFMANDBMNDM-ZEQRLZLVSA-N 553.700 4.970 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 260960788 YMHAMZHLELCEAB-SSEXGKCCSA-N 579.738 4.989 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 260979878 NXAGFIRYDASYIF-ZEQRLZLVSA-N 581.735 4.540 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 260999877 RLNJLNLSPOTRMD-VGSWGCGISA-N 586.538 4.600 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 261011392 GVHFZTGEEFINJD-GOTSBHOMSA-N 539.673 4.661 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 261087858 SNNJCOPORSIASV-ROUUACIJSA-N 617.404 4.618 0 40 KJAB CCc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 408542828 AVQRBZXHCYXWCH-UHFFFAOYSA-N 531.634 4.914 0 40 KJAB COc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(Cl)c(Cl)c3)cc3cccc(OC)c32)cc1 408606541 MHTAHIQPIZNPON-UHFFFAOYSA-N 527.364 4.926 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N(CC)CC)c2ccc(F)cc2)cc1 408630974 YQTRDKPNGVENHW-UHFFFAOYSA-N 527.618 4.540 0 40 KJAB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccco4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]12 408645749 IAYUSTOIQWINLS-SEIFXHLTSA-N 546.963 4.590 0 40 KJAB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(I)cc(I)c4O)c(=O)n32)cc1 408919530 AQKUZIZSRGZYNR-BYHQVZLYSA-N 732.403 4.824 0 40 KJAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCC(=O)Nc4ccccc4)c(Br)c3)C2=O)cc1 409239724 DNDDVGCCYNDSFQ-HYARGMPZSA-N 520.383 4.868 0 40 KJAB CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(Cl)c(Cl)c3)n2C)c1 409340828 AZPXMNDZDBJTTF-UHFFFAOYSA-N 536.441 4.599 0 40 KJAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2nc3ccccc3s2)n1C 409355765 KXZXYPOCVIHCQV-LJQANCHMSA-N 515.064 4.936 0 40 KJAB CCn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1[C@@H](C)NC(=O)c1ccccc1C 409363358 VQSGYTWSASMNPJ-CYBMUJFWSA-N 538.418 4.869 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)C2=O)o1 409400077 OKLNXDMVXBGWMT-ODLFYWEKSA-N 541.354 4.509 0 40 KJAB CCCc1nc(N2CCC(Cc3ccccc3)CC2)ncc1C(=O)NS(=O)(=O)c1cccc(Br)c1 585265797 UOWZWVZMWUCQGH-UHFFFAOYSA-N 557.514 4.769 0 40 KJAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(Cc3ccccc3)CCCN(C(=O)C3CC3)c3cc(Cl)ccc3C2)cc1 643550935 KSFBOABTXAARAD-UHFFFAOYSA-N 623.219 4.858 0 40 KJAB COc1ccc(C(=O)N2CCCCCCN(C)C(=O)c3ccccc3OC[C@@H]2Cc2ccccc2)cn1 643583338 PZCYSKBCGRPSQJ-VWLOTQADSA-N 501.627 4.869 0 40 KJAB Cc1cnccc1C(=O)N1CCN(C(C)C)CCCN(C(=O)COc2ccccc2)c2c(C)cccc2C1 643588154 BIEHAKITZXPGFT-UHFFFAOYSA-N 514.670 4.867 0 40 KJAB COc1ccc(CCN2C[C@H](O)C(C)(C)COCCC[C@H]3CN(Cc4nc5ccccc5n4C)CC[C@H]3CC2=O)cc1 1534612083 GDHWMUFRUCXJNS-HEWUYBSCSA-N 576.782 4.679 0 40 KJAB COc1ccc(CN(Cc2cc3ccc(OC)cc3[nH]c2=O)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 923350 VPQXMOIIYJVNGO-UHFFFAOYSA-N 506.624 4.862 0 40 KJAB Cc1ccc2cc(CN(CCc3ccccc3)S(=O)(=O)c3c(C)ccc4nsnc34)c(=O)[nH]c2c1 925024 QWIJFUBVVPYXCO-UHFFFAOYSA-N 504.637 4.583 0 40 KJAB CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 1375448 HKTFNVRXOKKZER-AREMUKBSSA-N 512.614 4.935 0 40 KJAB Cc1cc(C)c(-c2cc(NC(=O)COC(=O)c3ccc(=O)n(Cc4ccccc4)n3)n(-c3ccccc3)n2)cc1C 3306371 AEQXXJMWHMVPAX-UHFFFAOYSA-N 547.615 4.865 0 40 KJAB CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)c1 3340157 FBGLILDOFRRWGY-UHFFFAOYSA-N 529.348 4.892 0 40 KJAB CC(C)c1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)cc1 6190848 BOERVNFGYMJCCB-RUZDIDTESA-N 545.640 4.791 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 6227233 NZFGUEJJLZNQLN-DIXABZHVSA-N 519.022 4.614 0 40 KJAB COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N(Cc1ccccc1)Cc1ccc(OC)cc1 6301044 MLULSLZSOPAEDZ-GDLZYMKVSA-N 538.652 4.578 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(C(=O)c1snc(C(=O)NC2CCCCC2)c1N)c1cc(C)ccc1OC 6631812 CCVSOFMEICEVBR-NRFANRHFSA-N 555.745 4.979 0 40 KJAB C[C@@H](OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)cc2)cc1)C(=O)c1ccccc1 8451510 VZTKADFSOREHFI-GOSISDBHSA-N 521.953 4.913 0 40 KJAB CC(=O)[C@@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 8964784 ZGUNVYSSRMGHBO-YIPGRGJBSA-N 512.949 4.631 0 40 KJAB biogenic CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c(NC(=O)c3ccccc3Br)scc12 11757913 GFISFXKJFYQMRA-UHFFFAOYSA-N 516.348 4.778 0 40 KJAB NS(=O)(=O)c1ccc(Cn2c(-c3ccc(Br)cc3)cs/c2=N\c2ccccc2)cc1 12375829 TUOLBXSIWYKVMT-LVWGJNHUSA-N 500.443 4.907 0 40 KJAB CC(C)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2F)cc1 12481803 XRLHDQAWMMAAPU-MUAVYFROSA-N 529.616 4.764 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(CCc1ccccc1)C(=O)CNC(=O)c1cccs1 12488357 OCMBYIFSCSDNES-AREMUKBSSA-N 521.683 4.604 0 40 KJAB CCOc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3)cc2)cc1 12565626 LOLIXYNOHPQQSA-RUZDIDTESA-N 507.612 4.520 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(Oc3ccccc3)c2)c1 12583590 QRQQNLUFXMTPHA-UHFFFAOYSA-N 509.628 4.598 0 40 KJAB Cc1ccc([C@@H](C(=O)NCCC(C)C)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1 12712452 OXWODKKMTDFBIJ-NDEPHWFRSA-N 501.606 4.811 0 40 KJAB CC(=O)Oc1cccc2c1N1[C@H](C(=O)c3ccccc3)[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@H]1C=C2 15974821 TXWBUKOFJYRADF-DJOPODEESA-N 512.949 4.538 0 40 KJAB COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 15996897 REQIYZZZVKWZGF-LIONHTAISA-N 517.944 4.642 0 40 KJAB Cc1ccc2c(=O)c(-c3nc(-c4ccccc4C)no3)cn(CC(=O)NCCc3ccc(Cl)cc3)c2n1 21655040 XNFOBJWDEPWGAT-UHFFFAOYSA-N 513.985 4.743 0 40 KJAB COc1ccccc1-c1n[nH]c(=S)n1NCc1cc(Br)cc(Br)c1OC 22111285 ZGIKCUXYVMVNBV-UHFFFAOYSA-N 500.216 4.894 0 40 KJAB COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc(Br)c2)c1 57222814 MBMVUOCSVGYEJV-UHFFFAOYSA-N 508.416 4.810 0 40 KJAB Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N(Cc3ccco3)C[C@@H]3CCCO3)cc12 57608646 IQIIGLNQAAAEHJ-BKMJKUGQSA-N 502.619 4.610 0 40 KJAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)N[C@H](C)c1cccc(Br)c1 59837096 CEKDVSFHDGGJAH-GOSISDBHSA-N 529.456 4.765 0 40 KJAB COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)S(=O)(=O)c2ccccc2)c1 59886232 ORRBFVUJALKUFF-UHFFFAOYSA-N 579.700 4.947 0 40 KJAB CC(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1 59887435 DGYYERORRYTDLT-UHFFFAOYSA-N 580.526 4.778 0 40 KJAB CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(C)cccc43)[C@@]23C(=O)Nc2ccccc23)c1 70701206 MUMNJMRRHCKHIQ-BANVDVKSSA-N 521.617 4.798 0 40 KJAB biogenic CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2Cc2ccc(N3CCCC3=O)cc2)cc1 98005201 QKMPNXLHQZHNLR-HHHXNRCGSA-N 584.698 4.517 0 40 KJAB COc1ccc(/C=c2/sc3n(c2=O)[C@@H]2c4ccccc4O[C@](C)(N=3)[C@@H]2C(C)=O)cc1COc1cccc(C(F)(F)F)c1 98045980 GRAMEUXBIZAQCM-OZLOQJKYSA-N 594.611 4.881 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 100190098 XWODEFKPOSFQIL-VVNKCDPRSA-N 585.520 4.701 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1OC 100276387 JYBAAUOABGDINO-LJAQVGFWSA-N 607.086 4.979 0 40 KJAB CC[C@@H](C(=O)NCCc1ccccc1)N(C(=O)Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(F)c1 100458758 MLNCSDWKYKUKRA-DEOSSOPVSA-N 554.548 4.669 0 40 KJAB CCCCN1C(=O)[C@](O)(CC(=O)c2ccc(I)cc2)c2cc(Br)ccc21 101789360 NRTKBXXHCXIJEY-FQEVSTJZSA-N 528.184 4.661 0 40 KJAB O=C(CSc1nnc(-c2cc3ccccc3[nH]2)n1-c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 102911000 LZLQZJJAAFPACK-UHFFFAOYSA-N 558.689 4.931 0 40 KJAB CC(=O)N1CCN(c2ccc(NC(=O)c3cc(I)ccc3Cl)cc2Cl)CC1 105321813 UAJUOLHJXKMCKZ-UHFFFAOYSA-N 518.182 4.519 0 40 KJAB CCc1ccccc1NC(=O)CSc1nnc([C@@H](CCSC)NC(=O)c2ccc(OC)cc2)n1CC 108273269 ZVNHGWKSURTQEA-JOCHJYFZSA-N 527.716 4.824 0 40 KJAB COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2N=N[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)cc1 109014345 MNJMXAATCRDCLC-GNSPLJBXSA-N 558.598 4.520 0 40 KJAB O=C(NCc1ccc(CN2CCCCC2)cc1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 139884592 DXSGPDAMOFAGGT-UHFFFAOYSA-N 538.541 4.838 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 222638524 ROXOTGKEZQBZDD-IBGZPJMESA-N 548.492 4.660 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222754163 DLYCVIDMTFBGAJ-QFIPXVFZSA-N 539.673 4.661 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 222951194 MOWKGADYJUYZJJ-DEOSSOPVSA-N 521.683 4.524 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 222996774 LGTUTELEVWQZOZ-SFHVURJKSA-N 542.529 4.708 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 223091008 LKGDVYMKJKRXEL-MUUNZHRXSA-N 570.155 4.737 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223228779 VWBOVXPMZDBGAO-HKBQPEDESA-N 569.727 4.967 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 223301506 ZMGPWQVWJSXSGC-LJQANCHMSA-N 588.863 4.985 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 223540859 UQFWSEHRJGXDFU-NDEPHWFRSA-N 630.605 4.780 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 223790905 ZESONIKLALLZJT-OAQYLSRUSA-N 560.091 4.926 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223819546 IVCXOMPEVKKGSG-HXUWFJFHSA-N 548.149 4.880 0 40 KJAB COc1ccccc1OCCNC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 224064967 RILQFAGQSCOUOQ-UHFFFAOYSA-N 523.438 4.777 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 224141057 FTCJLYISEWOVKU-HNNXBMFYSA-N 593.371 4.854 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 224359224 REEVCWNOAZLCER-XMMPIXPASA-N 576.090 4.627 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 224445233 XSCPURDZSGRPDF-MHZLTWQESA-N 600.579 4.544 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224580239 QDYLRDSALKUPQL-DEOSSOPVSA-N 570.539 4.634 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 224658846 YBUYVXMVDDVCNE-HXUWFJFHSA-N 637.515 4.568 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 224661871 GWHXNNRMNKFPOR-LJQANCHMSA-N 564.054 4.755 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 224898210 BKAXWRAQYKPZKJ-MUUNZHRXSA-N 570.155 4.905 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224966694 VSFHZJVTIBFKOD-AREMUKBSSA-N 593.643 4.775 0 40 KJAB CC(C)n1c(=O)sc2cc(NC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)ccc21 225140361 MJRLBKMCKGJJSM-UHFFFAOYSA-N 511.625 4.841 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)cc1 225227389 GYJRKPURSISXFS-FTJBHMTQSA-N 572.599 4.500 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)O)cc3)o2)ccc1OC 225306402 XOOQRAZBESNTSH-RRPNLBNLSA-N 558.616 4.810 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 225317275 ZZUOZXHDVMAWQW-NRFANRHFSA-N 548.920 4.746 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 225351365 IOCOFWNFZBNJIC-GDLZYMKVSA-N 549.737 4.626 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)c(OC)c1 225377132 OPCFNDXROCETDV-PMERELPUSA-N 625.763 4.698 0 40 KJAB CC(C)CSc1nnc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)s1 225702314 HOTGDGJRUNXZJG-UHFFFAOYSA-N 523.533 4.774 0 40 KJAB CCCc1ccc(CN2CCO[C@@](COc3cc(C)c(Cl)c(C)c3)(CC(=O)N3CCC(O)CC3)C2)o1 257262502 LLRBNSUCHBCJBA-NDEPHWFRSA-N 519.082 4.526 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC)S(C)(=O)=O)cc1 260749159 CLPXVBCFWMXAFO-MUUNZHRXSA-N 586.154 4.671 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC2CCCC2)c2ccccc2)cc1 260797970 OJDJTMHQVTXFGI-XMMPIXPASA-N 593.746 4.765 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)Oc3ccc(C)cc32)cc1 260894887 GFGIFUQUXFIMLD-XMMPIXPASA-N 537.663 4.856 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 260949703 FGJIIOMRHFRPHZ-MUUNZHRXSA-N 598.165 4.814 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 261044991 ZYOANKONVGPYBH-JOCHJYFZSA-N 657.761 4.532 0 40 KJAB Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 408549524 ZKHNFIZJBZFTTG-GOSISDBHSA-N 569.627 4.916 0 40 KJAB O=C(Nc1ccc(Br)cc1F)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 408556474 CWYGKDJMQICCPL-HXUWFJFHSA-N 511.800 4.770 0 40 KJAB COC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)sc2c1CCN(C)C2 408564332 WIHXHGKQVUOXPG-UHFFFAOYSA-N 568.504 4.663 0 40 KJAB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)ccc1N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408638775 DLDYWQRGPQLYJM-ZYSHUDEJSA-N 513.377 4.716 0 40 KJAB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(=O)OCC(C)C)c2)c(C)cc1Br 408668648 VGVOSFKDQHCDIA-UHFFFAOYSA-N 533.419 4.779 0 40 KJAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCCCCN2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408689857 ZKKVRLZKTWCBAL-LYBMHKGZSA-N 594.664 4.798 0 40 KJAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 408700512 HFBRXRVSZXYCFC-NRFANRHFSA-N 553.647 4.587 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(c2cc(Cl)ccc2C)CC1)c1cccc(C)c1 408711064 UNAZZZIUZDJAFU-UHFFFAOYSA-N 542.101 4.818 0 40 KJAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN(c3ccccn3)S(=O)(=O)c3ccccc3)cc2)cc1 408720630 AQDMWVFXPPUYES-UHFFFAOYSA-N 515.591 4.906 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(F)c4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OCC 408737347 CCPRPSAUWANHQZ-UNDLXJOSSA-N 602.684 4.924 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 408813085 DXMUMJVEDOVKRN-YVLHZVERSA-N 539.347 4.633 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408835939 ZTSSWQDRTQNSIO-GJFKPFFXSA-N 585.520 4.747 0 40 KJAB CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 408850357 MACXFGVKPFYFBO-RBRLEXCSSA-N 539.657 4.671 0 40 KJAB CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC 408924428 IUPOWOBKTGWZLG-FCYPAOMHSA-N 545.686 4.733 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccc6c(c5)OCO6)c(I)c4)c(=O)n32)cc1OCC 408933071 HFYYNPQETWOYBL-HMSHAAMUSA-N 740.572 4.728 0 40 KJAB O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2 408941379 WKPHUVVCTSFJRX-UHFFFAOYSA-N 507.395 4.594 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)ccc3Br)c(=O)n2[C@H]1c1cccc(OC)c1 408997404 OILUELBKFCAOFV-VEOZPNHKSA-N 605.510 4.715 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c2=O)=N1 409021800 ZARDUNVUFXQEDC-BJZLOQQDSA-N 570.715 4.693 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C/c3ccc(OCC(C)C)cc3)c2=O)=N1 409024763 WAUFGKLTXMSHKP-RYOBIWAXSA-N 523.658 4.909 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409047237 LXZIOGDGSMGBHM-CWJUKMOQSA-N 728.561 4.613 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O[C@H](C)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409050042 SFHCHHYEEGEAJF-OJZPQGCTSA-N 564.704 4.771 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 409085284 YUPNHBAJGFFLED-UHFFFAOYSA-N 545.455 4.764 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Br)OCO4)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409096736 LBKUXBXNMXZYGR-KWXRMHBDSA-N 634.552 4.757 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(=O)(=O)c2ccccc2)c(OC)c1 409126039 NORXOAPLZZIUFX-UHFFFAOYSA-N 573.671 4.510 0 40 KJAB Cc1ccc(SCCNC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 409171959 FMRLIZIFWZKMGL-UHFFFAOYSA-N 566.486 4.703 0 40 KJAB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)c1OC 409193073 BDCGYUTWCBABJJ-LZYBPNLTSA-N 511.781 4.795 0 40 KJAB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2cccc3ccccc23)cc1 409381384 FSRALHMKKPPVBE-UIOOFZCWSA-N 511.530 4.931 0 40 KJAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Br)c1OC(C)C 409399505 JJJFZJUPOFFNAN-ZSOIEALJSA-N 586.233 4.870 0 40 KJAB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccnc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N23)c1 504316747 GCUHDKILARNGKJ-YGGCMVMVSA-N 527.580 4.946 0 40 KJAB biogenic Cc1nn(C)c(C)c1CCC(=O)N1CCN(c2ccccn2)CCCN(C(=O)CC(C)C)c2ccccc2C1 643555281 YHKIKKSPOSRUIA-UHFFFAOYSA-N 530.717 4.683 0 40 KJAB CC(=O)N1CC[C@@H]2CC[C@H](CN(C(=O)c3cc(CC(C)C)no3)Cc3ccccc31)N2Cc1ccccn1 643567266 AXCDJJRDAGWXOD-RRPNLBNLSA-N 515.658 4.700 0 40 KJAB Cc1sc(NC(=O)CN2CC[C@@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@@H]3C2)CCOCC4)nc1-c1ccc(F)cc1 1615126340 PQXMJTVWYOQVOE-GGCFSWKVSA-N 659.828 4.877 0 40 KJAB CCOC(=O)[C@@]12C(=O)Oc3ccc(Br)cc3[C@@H]1[C@@]2(C)C(=O)c1ccc(Br)cc1 1078219 DGPVGDSSBVTFIC-TYCQWZJGSA-N 508.162 4.667 0 40 KJAB Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccccc2)c2ccccc2F)cc1 1372515 LFXJRIAOPGRPBP-LJAQVGFWSA-N 507.569 4.970 0 40 KJAB CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1374884 QBGZYZOZILQKHQ-MHZLTWQESA-N 554.626 4.821 0 40 KJAB CS[C@@H]([C@@H]1c2ccccc2N(c2ccc(C)cc2)c2[nH]c(=O)n(C)c(=O)c21)S(=O)(=O)c1ccc(C)cc1 1628609 QUQVVTLEZDGOOY-YIXXDRMTSA-N 533.675 4.769 0 40 KJAB CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)CC(=O)N21 2112119 WQLAMORNKLPGTD-JTSJOTPCSA-N 518.617 4.976 0 40 KJAB biogenic COC(=O)c1cc(OC)c(OC)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1 2214913 LSNOWIUKXMTTGM-UHFFFAOYSA-N 528.974 4.631 0 40 KJAB COc1ccc(NC(=O)CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CC(C)(C)OC4)c(OC)c1 2595750 PHXSVZQZKDDWOA-UHFFFAOYSA-N 581.720 4.675 0 40 KJAB COC(=O)c1ccc(CNC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)cc1 3264410 KMOHMLLKEULYCS-UHFFFAOYSA-N 504.970 4.946 0 40 KJAB Cc1ccc(Cn2nc(C)c3cc(C(=O)NCCN4C(=O)S/C(=C\c5cccnc5)C4=O)sc32)cc1 3369334 KTPPDCAUUKOEPL-UUYOSTAYSA-N 517.636 4.624 0 40 KJAB Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc3ncccc3c2)cc1 6245094 XCPPXOZVOJCGQQ-VWLOTQADSA-N 542.665 4.518 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 8424789 IUMLTFUAASWFOK-WNRWPCNTSA-N 610.473 4.565 0 40 KJAB CN(C)c1ccc(NC(=O)[C@@H]([C@H]2CC=CCC2)N(Cc2ccccc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 8695749 KAUYMMQZMUEFHY-QABMSTFYSA-N 550.659 4.674 0 40 KJAB COc1ccc(CN(C(=O)CN2C(=O)C(=O)c3ccccc32)[C@H](C(=O)Nc2ccc(OC)cc2)c2ccc(F)cc2)cc1 8712782 MAUIQRJJISVXBX-PMERELPUSA-N 581.600 4.781 0 40 KJAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1cc2ccccc2oc1=O 8920998 BGRZDDMYJAAULU-AREMUKBSSA-N 504.336 4.563 0 40 KJAB CC(=O)Oc1ccc2c(C)c(CC(=O)NCCC(c3ccccc3)c3ccccc3)c(=O)oc2c1OC(C)=O 9304229 YJWBIFZKVRKTNF-UHFFFAOYSA-N 527.573 4.833 0 40 KJAB Cc1ccc(C(=O)[C@H](C)OC(=O)CCC(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)c3ccccc3)cc2)cc1 9445910 UBNAVKLILJCRQV-LEWJYISDSA-N 515.562 4.957 0 40 KJAB COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(c3nc4ccccc4s3)CC2)c(OC)c1 13496376 WOXMZEATNQVBAZ-RUZDIDTESA-N 519.675 4.717 0 40 KJAB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3O)nc2c1 14275073 DGDAPGOMTMWTJD-UHFFFAOYSA-N 507.568 4.915 0 40 KJAB Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCN(c4cc(Cl)ccc4C)CC3)cc2c1 19973145 VOTJAABFEFLSJW-RUZDIDTESA-N 520.081 4.760 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 22430250 OIMNHRWWZAAVET-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB O=C1C[C@@]2(CSc3[nH]c(=O)sc3[C@@H]2c2cc(Br)cc(Br)c2O)C(=O)N1Cc1ccccc1 59690771 XVNWQZGRIQEPTN-AOMKIAJQSA-N 596.322 4.850 0 40 KJAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Br)cc2)cc1Cl 59834028 LOJNQYCTPJSPNN-FQEVSTJZSA-N 523.836 4.639 0 40 KJAB CCOc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 60060544 NRBMLWFBNSCQMA-UHFFFAOYSA-N 539.057 4.745 0 40 KJAB CCC1=C(C)[C@H](Cc2[nH]c(/C=C3\N=C(C[C@H]4NC(=O)C(C)=C4CC)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O 85977505 UNKYOXKQMHLGPW-CIVNSQQOSA-N 590.721 4.700 0 40 KJAB O=C(CSc1nnc(CNC(=O)c2ccccc2F)n1-c1cccc(C(F)(F)F)c1)Nc1nccs1 97961524 NRQLHZZXVWROHY-UHFFFAOYSA-N 536.536 4.543 0 40 KJAB Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)c2)cs1 97982532 QDOHDMSHSWLEGJ-UHFFFAOYSA-N 593.683 4.952 0 40 KJAB NC(=O)c1nsc(C(=O)N(c2cccc3ccccc23)[C@H](C(=O)NC2CCCCC2)c2cccs2)c1N 100290046 BXXMEAIBCFJPSS-QHCPKHFHSA-N 533.679 4.876 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(CCc1ccc(OC)c(OC)c1)C(=O)Cn1nnc2ccccc21 100356911 ATZKZEIEOPBFPW-LJAQVGFWSA-N 543.668 4.566 0 40 KJAB O=C(Nc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCOCC1)c1cc(=O)c2ccccc2o1 102977413 SLPQSYWYHRFJOB-UHFFFAOYSA-N 574.442 4.990 0 40 KJAB COc1cc(NC(=O)COC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc(OC)c1 103078479 DAYBUSBWPIWAPR-UHFFFAOYSA-N 532.471 4.536 0 40 KJAB Cc1ccc(Cn2c(=O)c3ccccc3n3c(SCc4nc(N)nc(Nc5ccccc5C)n4)nnc23)cc1 103132556 ZPNQOHNMILVYGU-UHFFFAOYSA-N 535.637 4.512 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3Cl)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 103787011 XXMCXCUARCIASE-JPFXZVHCSA-N 547.460 4.512 0 40 KJAB CCOC(=O)c1sc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(Br)c(O)c(OCC)c4)[C@@H]3C2=O)c(C(=O)OC)c1C 150441563 AAYYNCIIYJVLAB-FUDKSRODSA-N 659.511 4.938 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1 150443330 DJVOIDKBFVAJST-OXWVMCNISA-N 653.178 4.927 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 163644357 TWUUDIFIGGQSBZ-RISWYLRJSA-N 656.498 4.680 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](CC)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 222464344 HEMMKHZERSUYGN-LJAQVGFWSA-N 565.736 4.921 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 222479126 UTDHSZBGAMSNBO-MUUNZHRXSA-N 551.709 4.531 0 40 KJAB Cc1cccc(CN(C(=O)CCCN(c2ccccc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 222541166 QMQWWOHTJMJNKI-PMERELPUSA-N 563.764 4.954 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC)S(=O)(=O)c2ccccc2)cc1 222690088 QMJXBKCVNHKIOY-IBGZPJMESA-N 578.518 4.751 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 222761403 ZKLVBSNDZDBIAJ-RUZDIDTESA-N 576.546 4.762 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 222850268 VNJHVZTYAWDMIB-JGCGQSQUSA-N 645.778 4.602 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 223009089 YPEKLMUXPOLDJC-DEOSSOPVSA-N 553.700 4.971 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCc1ccc(OCC)c(OCC)c1 223024691 KBTJGHFGXCFFAN-GOSISDBHSA-N 505.453 4.733 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 223095117 BCESPLPOCHXQPY-DHIUTWEWSA-N 569.699 4.670 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223172165 XAQQDLBPBWQXFF-PMERELPUSA-N 563.764 4.934 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 223369925 ZBEXEQYDVRQZGC-LJQANCHMSA-N 542.529 4.728 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 223396452 DWDVXAVQGLYKAS-QCDSWUKFSA-N 563.764 4.878 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 223427752 YAKKKUITSWNFPZ-RUZDIDTESA-N 565.736 4.841 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 223511506 OPQDTRFKOAMUQY-IBGZPJMESA-N 548.492 4.742 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 223581455 DGKIOJMNBSKNLP-MUUNZHRXSA-N 551.709 4.969 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 223617477 MXEPTYFMPOAVQG-QDPGVEIFSA-N 600.181 4.978 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 223637817 UYBBGRTULKTXQF-MUUNZHRXSA-N 593.746 4.685 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 223670266 JLXAXBCANKHLQN-PWUYWRBVSA-N 567.727 4.763 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 223797471 YNERTMPQGYFSMT-HXUWFJFHSA-N 546.064 4.536 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 223864139 UOPKJSHPZBJLTM-HXUWFJFHSA-N 576.090 4.627 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 224008195 KZWRYNXESPCKAT-LJAQVGFWSA-N 581.735 4.623 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 224081112 QVJDKZSCSHNXAE-MHZLTWQESA-N 556.128 4.581 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224107967 LESYGHSKFDXKPO-NRFANRHFSA-N 567.674 4.770 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 224258716 KOQPSGOQZIEEFN-SANMLTNESA-N 576.546 4.926 0 40 KJAB CCc1ccc([C@H](C)NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 224289083 GOTXFQMMQNMKNY-SFHVURJKSA-N 548.446 4.926 0 40 KJAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1SCc1ccccc1 224383630 FEMMGULCZQWKDX-UHFFFAOYSA-N 510.681 4.962 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224557457 XBBNGNACUCDFGC-RUZDIDTESA-N 620.555 4.654 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 224714735 WTHIZJKAUFQXNW-RUZDIDTESA-N 565.736 4.759 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 224772638 YNFKCASBEOIPQB-PMERELPUSA-N 577.747 4.550 0 40 KJAB O=C(Nc1nnc(S(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)s1)c1ccccc1Cl 224835882 WIAFGDFEELVIMD-UHFFFAOYSA-N 533.006 4.640 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(I)cc1 224843967 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COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(I)c1OCc1ccc(Br)cc1 409130818 NNKZYULSCQKRKZ-UDWIEESQSA-N 673.323 4.536 0 40 KJAB CC(=O)N1CCCN(Cc2ccccn2)CCCN(C(=O)CCN(C)c2ccc(F)cc2)Cc2ccccc21 643581543 SRQCLBSOXBKNAR-UHFFFAOYSA-N 531.676 4.725 0 40 KJAB Cc1cc(OC(=O)[C@H](C)OC(=O)COCCOCCOCC(=O)O[C@H](C)C(=O)Oc2cc(C)c(Cl)c(C)c2)cc(C)c1Cl 2060993584 DOBSKSZGXYEYEW-SZPZYZBQSA-N 643.513 4.651 0 40 KJAB CCOc1ccc(-c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4ccc(OC)c(OC)c4)c(=O)n3n2)cc1 1806434 DEDSBIWNRDEDRQ-ONUIUJJFSA-N 551.628 4.634 0 40 KJAB CCOC(=O)c1c(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)sc2c1CCCC2 3229064 QLPRBQTZRFBTPI-LJQANCHMSA-N 530.693 4.619 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)N3CCN(c4nc5ccccc5s4)CC3)cc2c1 6198180 UMQQIDPKSKZJCH-RUZDIDTESA-N 542.713 4.743 0 40 KJAB Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN(c4nc5ccccc5s4)CC3)cc2c1 6300975 QGQXOOIMJIKHON-AREMUKBSSA-N 540.697 4.768 0 40 KJAB CNC(=O)c1cccc(N(C[C@H](O)Cn2c3ccccc3c3ccccc32)S(=O)(=O)c2ccc(C)cc2)c1 8754315 KYBUWDBEKCCLFA-XMMPIXPASA-N 527.646 4.719 0 40 KJAB COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 9111195 WDKOIKGDAKLJBU-LCUIVBHPSA-N 508.574 4.656 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)c3cccc(C(F)(F)F)c3)s2)cc1 9364508 OYAPDQNVROVUIX-UHFFFAOYSA-N 510.519 4.717 0 40 KJAB COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 9764303 SGZRLCCDKRAZKT-SANMLTNESA-N 515.562 4.924 0 40 KJAB Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(Cl)cc2)c(C)c1 12479770 LKYNTQUNNPXTGF-QFIPXVFZSA-N 528.078 4.645 0 40 KJAB Cc1ccc(Nc2nnc(SCC(=O)NCC(=O)Nc3ccc(Br)cc3C)s2)cc1C 12569711 JIIFGLYTKAXJLZ-UHFFFAOYSA-N 520.478 4.816 0 40 KJAB Cc1ccc([C@H](O)CNC(=O)CCC(=O)O[C@@H]2CC[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)cn1 12660463 ZVCSWJZDRZUPCV-ISONSBRLSA-N 522.686 4.764 0 40 KJAB biogenic CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2cccc(OC)c2)cc1 12714338 LIVSMVZFTRQYGW-MHZLTWQESA-N 515.614 4.528 0 40 KJAB CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2cccs2)cc1 13031703 SSZZYMDUKMOGKE-SANMLTNESA-N 503.628 4.632 0 40 KJAB Nn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1-c1ccc(Cl)cc1Cl 16755764 PPIOQYDDPALIPB-UHFFFAOYSA-N 509.163 4.737 0 40 KJAB Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N(Cc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 20082752 VTKUWRFBDIKBEH-HOFKKMOUSA-N 526.666 4.855 0 40 KJAB COc1ccc(NC(=O)C[C@H]2SC(N3N=C(c4ccccc4)C[C@H]3c3ccc(OC)cc3)=NC2=O)cc1 28066398 ZPYSEVNGMSQNMO-LOSJGSFVSA-N 514.607 4.882 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCc2ccc(OC)cc2)cc1 33358333 JCMIEDKJVJGNFY-VWLOTQADSA-N 549.624 4.585 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 33769425 WVMSCMMYIWTITG-CYBMUJFWSA-N 508.431 4.835 0 40 KJAB COc1ccccc1[C@H]1CN2C(=O)CN(C3CCN(Cc4ccccc4)CC3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 70698477 QOSAGSFGFPELJQ-YJNPBZNESA-N 548.687 4.873 0 40 KJAB biogenic CCn1nc(C)c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)c1C 97947916 UEJHXCMDAKQMTQ-GVMLUORFSA-N 546.096 4.669 0 40 KJAB CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3ccccc3F)C2)cc1 97963906 YFQDSPKLSRBEOP-HSZRJFAPSA-N 522.023 4.781 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC(C)C)cc4)c(=O)n32)cc1 97971095 PZSRONGWRZQYSR-OXWVMCNISA-N 539.657 4.670 0 40 KJAB COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(S(=O)(=O)Nc5nccs5)cc4)c3n2)cc1 98042716 ONYAWRXODWGXOL-UHFFFAOYSA-N 556.576 4.852 0 40 KJAB COc1ccc(N(C(=O)[C@H]2COc3ccccc3O2)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1OC 100322457 GRTKGGFPIAYBJO-WDYNHAJCSA-N 546.620 4.773 0 40 KJAB O=C(NCC(=O)N(c1ccccc1C(F)(F)F)[C@@H](C(=O)NCc1ccco1)c1ccccc1)c1ccco1 100413357 MDOPNIWUPDOQSN-XMMPIXPASA-N 525.483 4.712 0 40 KJAB O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN21 100893619 LPFGFCDEZCYTHW-KAOXLYBCSA-N 534.797 4.864 0 40 KJAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3n(n2)[C@H](c2ccc(Cl)cc2)C=C(c2ccccc2)N3)cc1 101018345 CZYLEUZRSLZSRS-QHCPKHFHSA-N 521.002 4.747 0 40 KJAB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3)CC2)c1 104146500 MUJVCAIDNDCLGZ-UHFFFAOYSA-N 535.469 4.614 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)c(C)c3)S(C)(=O)=O)cc2)cc1Cl 105275198 PAYTZDWDCZMYJX-UHFFFAOYSA-N 600.944 4.925 0 40 KJAB CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCc1ccc2c(c1)OCO2 108447804 GCBQHTISMHPLHR-RNUBLEDQSA-N 631.726 4.735 0 40 KJAB biogenic Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccc(Br)cc2)cc1 108881372 CYANYOKDADMNDY-UHFFFAOYSA-N 606.564 4.766 0 40 KJAB CSc1ccc([C@@H](C)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1 216072569 SCDMITPZMMKHQZ-HXOBKFHXSA-N 533.513 4.938 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 222395304 VTKQPTUHZBVCNY-XMMPIXPASA-N 521.683 4.769 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 222499791 JEUXRGIIMHLWFC-DEOSSOPVSA-N 555.663 4.892 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 222538273 AZEMWMBYYGKDCV-DEOSSOPVSA-N 536.138 4.835 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc(Cl)cc1 222592366 WDLPMFPEEACACD-HSZRJFAPSA-N 515.835 4.867 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 222631359 SADGOKCCZZOARL-DEOSSOPVSA-N 535.710 4.831 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 222684195 RNFBTIHFOSRUSU-HHHXNRCGSA-N 600.579 4.690 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 222714122 QYARDHTUMDNXER-XMMPIXPASA-N 627.388 4.908 0 40 KJAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc4c(c3)N(S(=O)(=O)c3ccc(Cl)cc3)CC4)cc2)c1 222736179 QRDDRXPCMDQJTK-UHFFFAOYSA-N 628.128 4.918 0 40 KJAB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 222741210 LEMAYGKMMQJKOQ-FQEVSTJZSA-N 562.519 4.969 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 222741887 DMZIUOGYBIKMFA-QFIPXVFZSA-N 518.441 4.702 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222755677 UPYWXQIVISPGOC-DEOSSOPVSA-N 535.710 4.831 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 222789611 KQLLDGRECCJFIF-NRFANRHFSA-N 572.127 4.876 0 40 KJAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl 222804088 ONDPQFZVXYKQAG-KRWDZBQOSA-N 515.393 4.835 0 40 KJAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 222909413 SJGMIOCESRRVDH-HXUWFJFHSA-N 562.519 4.703 0 40 KJAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C(=O)NCCC2=CCCCC2)c2ccccc2)cc1 223506577 XULOQHBAVPVECI-PGUFJCEWSA-N 661.821 4.872 0 40 KJAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 223521760 NAJLDOSQQPRUHR-HSZRJFAPSA-N 586.154 4.920 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223565387 GFEOVZZIDFNLKO-RUZDIDTESA-N 636.996 4.653 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223576189 GOWQMWVVBKKSQE-NEKDWFFYSA-N 628.191 4.822 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 223808289 IUHXSNNFXLBGMR-RUZDIDTESA-N 552.137 4.619 0 40 KJAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 223902770 BOCOCFOVJHDROO-UHFFFAOYSA-N 561.056 4.742 0 40 KJAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 224043581 RXIGQSRJFBWGLU-LJAQVGFWSA-N 609.789 4.974 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(C)c(Cl)c3)Oc3ccc(Cl)cc32)cc1 224166914 LCHPJLPAXIPJFD-DEOSSOPVSA-N 535.449 4.762 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1C 224362085 NUEZBDZEHXCTKX-IBGZPJMESA-N 542.529 4.566 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1C)S(C)(=O)=O 224502320 VVGWRDMOXNMCBU-HSZRJFAPSA-N 554.540 4.934 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 224678088 JNCGAHMZLKPKLA-QFIPXVFZSA-N 586.552 4.895 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2cccc3cccc1c23 224690147 KASYIAJXZVZFSU-KRWDZBQOSA-N 508.416 4.504 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)cc1 224823089 FGNANQAKTIKLRD-QHCPKHFHSA-N 581.710 4.896 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O 224870711 HDRKGMVWXXTBNJ-HSZRJFAPSA-N 532.468 4.949 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 225124988 ZIVNWHXUVDAXNI-HHHXNRCGSA-N 527.731 4.652 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)CCc1ccc2c(c1)OCO2 225224563 LWGPQQGRMAEPJV-GOSISDBHSA-N 515.448 4.977 0 40 KJAB COC(=O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)o1 225444055 ITXHORSUQQFKMN-IZZNHLLZSA-N 578.672 4.685 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1CC)S(C)(=O)=O 225470844 GKDOGKDCCGCJTB-GDLZYMKVSA-N 567.727 4.711 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 225648919 SXSPBFKWXJQJIA-MRXNPFEDSA-N 564.482 4.760 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 225678279 WJXPRVUIXLIIOR-QHCPKHFHSA-N 553.700 4.773 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2c3ccc(Br)cc3C[C@@H]2C)Cc2ccccc2)cc1 226009023 DVZGFKSBAISFAV-SFHVURJKSA-N 529.456 4.626 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@H](CC)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 260705169 LWRSTNLLIFSKEY-MUUNZHRXSA-N 595.762 4.930 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)cc1 260744174 NVTMLBCUVCYHMZ-JOCHJYFZSA-N 572.127 4.794 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 260747614 ONPCNJVMGYUCKT-XMMPIXPASA-N 535.710 4.695 0 40 KJAB 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Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)N(C)C)c1 261104350 WSRMXTCEWVYLMO-SSEXGKCCSA-N 592.806 4.779 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 261116531 YOQMMWZEUXJGIW-PMACEKPBSA-N 574.541 4.700 0 40 KJAB COc1ccc(CN2CCO[C@@]3(CN(Cc4ccc(OC(C)C)cc4)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cc1 306136351 PQXNQKSUMRQFQB-GRKNLSHJSA-N 532.685 4.657 0 40 KJAB CC(C)[C@@H](C(=O)Nc1cccc(C(=O)O)c1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408651631 GYXDVDMOZMPYMI-FRDYXSHMSA-N 563.437 4.941 0 40 KJAB CCCC[C@H](C(=O)OCC(=O)Nc1ccccc1OC)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408690001 SZCAIGMRAVOHOM-ZLKNMDHISA-N 552.627 4.628 0 40 KJAB CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC 408851119 INMXBPNWQDKCGH-PLNPHXOGSA-N 641.746 4.613 0 40 KJAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1I 408874162 ZOARGBFUVRZLRA-YVLHZVERSA-N 526.327 4.504 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@@H]1c1cccc2ccccc12 408876470 LMAHMWOTCVCONZ-LAUBZIAYSA-N 578.646 4.998 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccccc4OCc4ccc(F)cc4)c(=O)n32)cc1OCC 408953362 WBPOKJDAEVJOSR-FHGOPSEHSA-N 588.657 4.534 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 409023570 YYQLPKOSHRCLFE-CBYYHRJHSA-N 716.575 4.750 0 40 KJAB CC(=O)c1cccc(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)c1 409027021 QRGJNPRKWSHPDD-UHFFFAOYSA-N 501.402 4.794 0 40 KJAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(Cl)c(OCc4ccc5c(c4)OCO5)c(OC)c3)c2=O)=N1 409037841 UGZXHFJCEIEUAH-UPWSPCOFSA-N 619.095 4.768 0 40 KJAB CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)ccc1OCc1cccc(F)c1 409047735 MXRJGIULXVAPBP-HDFSHUSISA-N 572.658 4.915 0 40 KJAB Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCc4ccc(Cl)cc4)CC3=O)cc2)cc1Cl 409157671 RKMACYJTLKSSOC-LJQANCHMSA-N 526.420 4.989 0 40 KJAB COC(=O)c1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(N5CCOCC5)cc4)C3=O)o2)ccc1Cl 409161271 LYSCLAWPNGHPBG-BUVRLJJBSA-N 582.034 4.898 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409176821 YSXOOQPGZQGVOU-UHFFFAOYSA-N 669.778 4.973 0 40 KJAB CCCOc1c(I)cc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1OC 409367156 HMMBCJWRCBJUAO-UHFFFAOYSA-N 533.156 4.891 0 40 KJAB O=C1C[C@H](c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)N2NC=NC2=N1 409384234 BMSJMDBWBHTKOX-OAHLLOKOSA-N 512.589 4.620 0 40 KJAB COc1ccc(NC(=O)C2(N(CCc3c[nH]c4ccccc34)C(=O)CN3C(=O)c4ccccc4C3=O)CCCC2)c(OC)c1 575443931 YFBUKWCRTWRCSB-UHFFFAOYSA-N 594.668 4.804 0 40 KJAB COc1ccc(Cc2nc(N3CCC(Cc4ccccc4)CC3)ncc2C(=O)N(CC(=O)O)CC(C)C)cc1 585268327 ZJYXPZYHJQOBKW-UHFFFAOYSA-N 530.669 4.718 0 40 KJAB CO[C@]1(COc2cccc(Cl)c2)COCCN(Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C1 585280354 NDEBFYKFCRNBKT-LJAQVGFWSA-N 527.061 4.576 0 40 KJAB COc1cc(CN2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCCN1CCCC1=O 585281507 KOUVFKYRHHDHTQ-UHFFFAOYSA-N 537.484 4.799 0 40 KJAB Cc1nc(C)n(CC(=O)N2CCC(N3CCCCCCOc4ccccc4Oc4ncccc4C3)CC2)n1 643578028 LTSGLQRTTVSTRS-UHFFFAOYSA-N 518.662 4.528 0 40 KJAB CC1(C)Cc2c(c(N3CCOCC3)nc3sc(C(=O)c4ccc(Br)cc4)c(N)c23)CO1 820785 ASEBBNXZJBBYOJ-UHFFFAOYSA-N 502.434 4.560 0 40 KJAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccccc1 923607 GUWMMFMCRPQJMG-UHFFFAOYSA-N 577.732 4.557 0 40 KJAB CCOC(=O)c1c(NC(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2Br)sc2c1CC[C@@H](C)C2 954972 KMNMNUZFBZFEAS-GFCCVEGCSA-N 570.458 4.633 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cccnc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 1375281 NDYZLQVBDGYXKK-NDEPHWFRSA-N 523.641 4.737 0 40 KJAB COc1ccc([C@@H](C(=O)Nc2ccc3c(c2)OCO3)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1OC 1418935 XOICXKABRSFISL-HKBQPEDESA-N 597.603 4.725 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(CC)c4ccccc34)c(=O)n2[C@@H]1c1cccc(OC)c1 2049632 AQXJYMLJJXCVHW-ZHGFHMGHSA-N 563.679 4.919 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c(Br)cc1OCC(=O)O 2144023 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O=C(N/C(=C\c1c[nH]c2ccccc12)C(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1)c1ccccc1 13579623 NSWFRSBMSPLKDU-RIPCIUMVSA-N 504.634 4.641 0 40 KJAB Cc1c(CC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(=O)oc2cc(O)ccc12 13592611 UAYDXQGAYOBHAF-UHFFFAOYSA-N 504.533 4.562 0 40 KJAB COc1cc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc(OC)c1OC 14276167 SPALDZVQRGSAPC-UHFFFAOYSA-N 505.552 4.838 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)Cc2ccc(Cl)cc2)c(C)c1 14414662 KYJFBOGCQPREHS-UHFFFAOYSA-N 515.031 4.501 0 40 KJAB CCOc1ccc2ccccc2c1C(=O)Oc1coc(CSc2nnc(NC(=O)CC)s2)cc1=O 16047790 YFQYCYJVHQNNJX-UHFFFAOYSA-N 511.581 4.903 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2ccnc2C)c2ccc(C)cc2C)cc1 20046065 SIYDCDDSAOSVKI-UHFFFAOYSA-N 502.640 4.618 0 40 KJAB Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N4CCC[C@@H]4C(=O)O)C(=O)N32)cc1 38139986 ZXKWIJYSLSNFLY-PBWSGDRGSA-N 548.599 4.648 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\C3=Cc4ccccc4O[C@H]3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 38204337 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CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223170198 MHVGXFDWNIAWSM-QFIPXVFZSA-N 602.153 4.886 0 40 KJAB COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)[C@@H](Cc2ccccc2)C(=O)NCc2ccc3c(c2)OCO3)cc1 223248999 SKQVZPIFGOWTMW-LJAQVGFWSA-N 596.680 4.940 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 223401975 SWIGIEICOFQUJS-RBISFHTESA-N 571.690 4.594 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 223448749 XNCWXQGXFMDNSS-GDLZYMKVSA-N 567.727 4.765 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 223703049 IOSPQHNJZYXFJJ-SANMLTNESA-N 606.572 4.853 0 40 KJAB CCCc1ccc(OCCNC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 223831955 YQCVEJKECXXVFZ-UHFFFAOYSA-N 578.472 4.634 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223873706 YLNGWVFKMMJXTO-KRWDZBQOSA-N 546.492 4.622 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O 224170855 AAQAYYZCNVVGJW-MUUNZHRXSA-N 586.154 4.671 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 224329542 FJUOSZBJJVJOEX-MRXNPFEDSA-N 593.371 4.711 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 224470030 IKRYAUHKKREZLV-SANMLTNESA-N 636.598 4.943 0 40 KJAB CN1c2ccc(Cl)cc2C(c2ccccc2)=C(C(=O)NCCOc2ccc(Cl)cc2)S1(=O)=O 224573631 CACOLTZRTQKGSR-UHFFFAOYSA-N 503.407 4.728 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 224885064 FKPMQBMALCKBSD-MHZLTWQESA-N 586.154 4.588 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 224954604 GTFNRXQLBIZFDU-MUUNZHRXSA-N 589.680 4.815 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 225093943 JWYIWOWXOSNKOV-HHHXNRCGSA-N 527.731 4.652 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 225102864 MHQBNPDLAYFNER-JWQCQUIFSA-N 565.736 4.839 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 225149427 YMHUAPJYHBNNQP-RUZDIDTESA-N 592.158 4.524 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 225170674 RCSBEVHICWHOKV-HSZRJFAPSA-N 539.673 4.663 0 40 KJAB O=C(Nc1nnc(-c2ccccc2)s1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 225198002 QUGKTQIVFPWHDP-HNNXBMFYSA-N 511.456 4.692 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccncc3)c2C)cc1 225207489 SZAHKMQTHQAKAG-NSOVKSMOSA-N 526.666 4.705 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 225214447 SRVANIJMZHFWJH-SANMLTNESA-N 545.721 4.937 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccc2c(c1)OCO2 225241162 VRWYKGMWDSWLCT-LJAQVGFWSA-N 605.757 4.660 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 225259622 JCQQWCQGHCAVKN-HHHXNRCGSA-N 553.700 4.971 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 225473402 SZAANJGMYOXTLX-LJAQVGFWSA-N 567.727 4.765 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225601829 YJQIUQAATBVWOL-OAHLLOKOSA-N 568.445 4.720 0 40 KJAB CCOC(=O)Cc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OCC)c(Cl)c2)cc1 226068328 NUKGYZWQTVJDCT-UHFFFAOYSA-N 545.057 4.674 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@]3(CCCN(CC(=O)Nc4ccc5c(c4)CCCC5)C3)OC[C@@H]2CC(C)C)cc1 257240984 HWBLDDJLMKVVDR-IZEXYCQBSA-N 553.769 4.783 0 40 KJAB CC1(C)CC2(CCN(CC(=O)Nc3ccc(Br)cc3)CC2)CN1S(=O)(=O)c1cccc(Cl)c1 257245005 INSLABPTVREZJH-UHFFFAOYSA-N 554.938 4.996 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)cc1 260800190 OTABHKISDUYISD-XMMPIXPASA-N 577.747 4.929 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260804858 QGSBXQBIODGMRH-OAQYLSRUSA-N 564.148 4.761 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1 260884694 JIOMVUZFXPSPQG-RUZDIDTESA-N 549.737 4.942 0 40 KJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 408549315 XFAHSAMYAGOATN-GFCCVEGCSA-N 506.839 4.580 0 40 KJAB COc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCc4ccc(C(C)C)cc4)CC3=O)cc2)c1 408574154 CPXBFGYMFQXENR-QHCPKHFHSA-N 515.610 4.505 0 40 KJAB Cc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 408577621 PZFSZSLZESTNGN-QGZVFWFLSA-N 519.399 4.912 0 40 KJAB COc1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408654071 JMXNMZONVBIOHP-SIQOOTDXSA-N 521.400 4.617 0 40 KJAB Cc1cccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)S(C)(=O)=O)c1 408681920 WBRJXBFYWPTAQL-UHFFFAOYSA-N 529.684 4.598 0 40 KJAB COc1cc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)cc(Br)c1OCC(=O)O 408808481 PVLAELVDKDDRMB-UHFFFAOYSA-N 512.789 4.646 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 408833085 ZFDZXRSBVVPLIK-ASZNLBCTSA-N 600.718 4.797 0 40 KJAB Cc1cccc(COc2ccc(/C=C3/SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)cc2)c1 409017395 WGZSGTLVZHTBJL-ZXVVBBHZSA-N 527.646 4.959 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc5c(c4)OCO5)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409029968 BBVJYBDXAIHJTJ-SFTGCVBVSA-N 751.210 4.719 0 40 KJAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 409055930 FODJXDLCEBSTFE-UCQKPKSFSA-N 536.581 4.570 0 40 KJAB COC(=O)c1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc5c(c4)OCCO5)C3=O)o2)ccc1Cl 409207454 XGVOEIVXAFLUCC-WSDLNYQXSA-N 554.964 4.833 0 40 KJAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(Br)cc1OCc1ccccc1F 409214822 UTAORQBYKBTCMA-UFFVCSGVSA-N 572.362 4.846 0 40 KJAB CN1C(=O)C(=C(Nc2ccc(Cl)cc2)SCC(=O)Nc2ccc(Cl)cc2Cl)C(=O)N(C)C1=O 409381705 IRWRJTDJIFLSLV-UHFFFAOYSA-N 527.817 4.693 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 409384918 GGWFZXYCQMYASJ-YDZHTSKRSA-N 537.546 4.979 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1 409412390 VWNCQQBCABZQNB-UHFFFAOYSA-N 529.684 4.695 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)cc1O 906206 USRHWGIHZSOSPG-PMERELPUSA-N 555.635 4.572 0 40 KJAB COc1ccc(OC)c([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N([C@@H](C)CCc4ccccc4)CC(=O)N32)c1 2106320 HTICUIIIGGXXGV-WGXALEHPSA-N 523.633 4.891 0 40 KJAB biogenic COc1cccc(NC(=O)CSc2nc3nc4c(cc3c(=O)n2-c2ccc(C)cc2)COC(C)(C)C4)c1 2326582 PXFMLXIPTGEAMJ-UHFFFAOYSA-N 516.623 4.680 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@@H]1c1ccccc1OC 2355020 SYWWWGJCECIWMC-LWUPDDLQSA-N 535.021 4.720 0 40 KJAB C[C@@]12CC[C@@H](OC(=O)Nc3ccc(Oc4ccccc4)cc3)[C@@](C)(CO)[C@@H]1CC[C@@H](O)[C@H]2CC(=O)N1CC[C@@H](O)C1 4236755 VUAJFRJWJWFNLE-KDPOLCLOSA-N 566.695 4.565 0 40 KJAB biogenic,in-vitro 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CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 409135532 YYJPSWVHCCKRRS-UHFFFAOYSA-N 557.672 4.892 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(I)cc2C)nnc1-c1ccc(OC)cc1 409151196 HACKYUURWQXZCF-UHFFFAOYSA-N 508.385 4.617 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cc(I)c(O)c(I)c2)C1=O)Nc1ccc(Cl)cc1 409159190 QHANIEOTYRFHPR-VGOFMYFVSA-N 640.624 4.930 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccccn1 409168885 NKBRGUBLYHTLQV-LSHDLFTRSA-N 598.431 4.835 0 40 KJAB CCC(=O)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2cc(OC)c(OC)c(OC)c2)OC1=O 409192723 ZRSBVKJQHQZZRD-CHHVJCJISA-N 569.202 4.897 0 40 KJAB CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCC(=O)Nc2ccc(C(=O)O)cc2)n1C 409359706 NEHATPNGKATLPY-IBGZPJMESA-N 536.441 4.678 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1OCC(=O)N1CCCC1 409366237 ZIKAMEGALMZJJL-HMAPJEAMSA-N 588.480 4.524 0 40 KJAB O=C(O)c1cccc(COc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)cc2Cl)c1 409383321 UHFPUJKRBWBJEJ-BKUYFWCQSA-N 514.987 4.666 0 40 KJAB 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409410826 QRNHHXJNJGISLT-UHFFFAOYSA-N 532.493 4.693 0 40 KJAB CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc(OC)c(C(=O)N2CCOCC2)c1 604405088 PVRYGSNOKQXYDP-FMPQITIBSA-N 716.832 4.809 0 40 KJAB biogenic CCCC(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)CCCn2cncn2)Cc2ccc(Cl)cc21 643560877 FURKJVRHHXHXJC-UHFFFAOYSA-N 537.108 4.780 0 40 KJAB CC(=O)N1CC[C@H]2CC[C@@H](CN(C(=O)Cc3ccc(F)cc3)Cc3ccccc31)N2Cc1ccncc1 643577588 VZHKQWDWHMIOBM-IZLXSDGUSA-N 500.618 4.582 0 40 KJAB CCCc1cc(=O)n2c(C(=O)Nc3ccc(I)cc3)c(C(=O)Nc3ccccc3)sc2n1 1320911 ASMDMFPHHHAOOM-UHFFFAOYSA-N 558.401 4.818 0 40 KJAB Cc1cccc(NC(=O)Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3c4c(sc32)COC(C)(C)C4)c1 2223869 NOVZZBRCZFSWEP-UHFFFAOYSA-N 510.015 4.666 0 40 KJAB COc1ccc(C(=O)O[C@H](C)C(=O)c2ccc(C)c(C)c2)cc1S(=O)(=O)N1CCCc2ccccc21 2646247 QXQJQGRJEVGHGJ-HXUWFJFHSA-N 507.608 4.882 0 40 KJAB COc1ccc(CCNC(=O)CCCCCn2c(=S)[nH]c3ccc(Br)cc3c2=O)cc1OC 2973902 VCFDASSDFPSLKE-UHFFFAOYSA-N 534.476 4.758 0 40 KJAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)/N=c2\c3cnn(-c4ccccc4)c3nc3n2CCCCC3)cc1 3254071 BAGIVJLADONXDF-RIHQVDFKSA-N 582.686 4.523 0 40 KJAB Cc1cc(C(=O)CSc2nnc3n(-c4ccccc4)c(=O)c4ccccc4n23)c(C)n1C[C@H]1CCCO1 3326970 REJNSJGBNLWPBU-OAQYLSRUSA-N 513.623 4.606 0 40 KJAB CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 3348816 LHKCOGLRIQWHIL-SGTLLEGYSA-N 507.823 4.520 0 40 KJAB CC(=O)c1cccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc(F)cc2)[C@H](C(=O)NC2CCCCC2)c2ccc(C)o2)c1 8686532 QBVGIFXCNZBNKM-MIKJVJEASA-N 595.693 4.840 0 40 KJAB CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OCC)C(=O)[C@H]3ON2C)ccc1OCc1ccccc1 9232620 LQWKXNWJTASVRH-VJGNERBWSA-N 502.567 4.539 0 40 KJAB CN(C)S(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1)c1ccccc1F 9694823 HWZNEBHUWQHIOM-UHFFFAOYSA-N 506.397 4.654 0 40 KJAB COc1ccc(CCNC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 9720758 XJEQHLJXUOKDTM-UHFFFAOYSA-N 507.439 4.552 0 40 KJAB COc1ccc(OC)c(-c2csc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)n2)c1 10337524 PLMLYPRSSORULQ-UHFFFAOYSA-N 522.048 4.520 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3ccc(Cl)cc3)[C@H](C(=O)NC(C)(C)C)c3cccs3)n2)o1 12478853 LVDUUHTZJGWWQR-NRFANRHFSA-N 513.023 4.646 0 40 KJAB O=C(CSc1nnc(COc2ccccc2F)n1-c1ccccc1)Nc1ccc(N2CCOCC2)cc1 12538231 XJJQAVCVOKWWEC-UHFFFAOYSA-N 519.602 4.553 0 40 KJAB COc1cccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C(C)=O)c1 13030427 IWJMKUIKDUDKOJ-LJAQVGFWSA-N 527.625 4.579 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCN(c4cc(C)ccc4C)CC3)cc2c1 19941429 JUKOJCPEVFYDAJ-SSEXGKCCSA-N 533.680 4.654 0 40 KJAB CCOC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC)c(CN3CCN(c4ccccc4OC)CC3)c2)N1 59677272 BUPGXESRUZFQJH-DLFZDVPBSA-N 554.691 4.674 0 40 KJAB biogenic,in-vitro O=C(C[C@H](c1ccnc2ccccc12)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12)N1CCOCC1 96115912 QNFNJDGCJLAEQS-JOCHJYFZSA-N 522.557 4.800 0 40 KJAB biogenic CN1CCN(C(=O)C[C@H](c2ccc3ncccc3c2)c2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)CC1 97972001 HUZUYCCBHFNGKF-HSZRJFAPSA-N 535.600 4.715 0 40 KJAB biogenic COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)ccc2C)cc1 97982887 SYOXOSUQGSZOMB-UHFFFAOYSA-N 569.636 4.997 0 40 KJAB COc1cccc(N(C(=O)CSCC(=O)Nc2cc(C)on2)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)o2)c1 100285833 IWOATBSEYPZFON-HHHXNRCGSA-N 554.669 4.788 0 40 KJAB COc1ccc(OCC(=O)NC(=S)Nc2c(OC(=O)COc3ccc(OC)cc3)ccc3ccccc23)cc1 100313834 UAVPYGBLOHDDJM-UHFFFAOYSA-N 546.601 4.733 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(C(=O)CNC(=O)c1cccs1)c1cc(C)ccc1OC 100413843 MEJZRVCJUJHSJX-AREMUKBSSA-N 537.682 4.883 0 40 KJAB CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccccc3OC)C(=O)N12)C(=O)NC1CCCCC1 102740962 BRHCXIOUFQPIMA-AZGAKELHSA-N 575.735 4.711 0 40 KJAB COc1ccc2c(Cl)c(C(=O)OCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)sc2c1Cl 103003711 LQFKRLCNHGYEDM-UHFFFAOYSA-N 531.439 4.571 0 40 KJAB COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)c(OC)c1 104165044 OROBGEJBNMQCSH-UIHHKEIPSA-N 505.996 4.655 0 40 KJAB CO[C@H]1C(O)=C2C(=O)O[C@](C)(O)/C=C\C=C/C=C\C=C/[C@@H](c3ccccc3)NC(=O)/C=C\C=C/C=C/C=C/[C@@]2(C)[C@H]1O 104183923 HVEDUANUPUFIBT-OAJRACSZSA-N 571.670 4.767 0 40 KJAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@H](N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 104745177 KUHHFYZRWGDWMX-KWLVTAJXSA-N 527.707 4.671 0 40 KJAB COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 105318824 KGNRBCMFGKQSFU-UHFFFAOYSA-N 576.742 4.752 0 40 KJAB CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4cc(Br)cc(C)c4OC)c3)nn12 105352558 WDPUYKQDQPHMOY-UHFFFAOYSA-N 531.461 4.622 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 105498571 YQPYTDITTDCKSV-QUNTYYFUSA-N 619.095 4.768 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NCCc3ccc(O)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2 108449625 MQBVYFCSPCMTHD-YTMVLYRLSA-N 617.743 4.754 0 40 KJAB biogenic CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 111470837 LSEVBHAAKSZDHH-UXAZKMGBSA-N 542.682 4.666 0 40 KJAB Cc1nccn1-c1ccccc1CNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 215942160 ZWGLRMKOHBEPEV-UHFFFAOYSA-N 528.556 4.711 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 222548834 LHFFIDIFEIWESH-LJAQVGFWSA-N 577.653 4.546 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 223114257 XITXAELOZZWCNV-XMMPIXPASA-N 578.518 4.751 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 223139665 CNCMFKVGGPVMFN-AREMUKBSSA-N 581.735 4.621 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 223171007 YXYHUEGDUVJZAL-MRXNPFEDSA-N 548.920 4.746 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](CC)C(=O)NC)S(=O)(=O)c1ccc(SC)cc1 223399008 CSXKPLDOLXSDSB-SANMLTNESA-N 599.775 4.565 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 223896318 AHCVBFAKALXYAS-NRFANRHFSA-N 602.551 4.597 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 224145848 WPWWFSLZFYZRGR-MUUNZHRXSA-N 535.710 4.751 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1 224187649 REVGWLFDAWAAMA-SFHVURJKSA-N 562.054 4.623 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 224522545 RPYZAPSUTGEJST-AREMUKBSSA-N 572.127 4.796 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 224598631 ZILVVEBYFKSQMZ-NDEPHWFRSA-N 595.762 4.787 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224598871 VCXPPNPAVKXZEN-MHZLTWQESA-N 553.700 4.909 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 224672110 ORRUDTBQGAYNCZ-OAQYLSRUSA-N 534.122 4.752 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224702093 JDHPRVARJYCIGY-SFHVURJKSA-N 606.505 4.956 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224747208 TWCDOJBBFDYORZ-INIZCTEOSA-N 605.382 4.998 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1 224756960 INCPIXCVUZIQDU-VWLOTQADSA-N 509.444 4.993 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 225220866 YAVAEQPFKLTKIW-DEOSSOPVSA-N 535.710 4.785 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)O)c3)o2)cc1 225226584 UPXGZPGBYQWPNO-FTJBHMTQSA-N 528.590 4.802 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccccc1F 225235098 REGYLZSTZRMSAS-LJAQVGFWSA-N 565.711 4.681 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 225365080 VIOSTFNDWAQHMQ-NDEPHWFRSA-N 551.709 4.533 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C)cc1 225435188 IIIBJCSQZZNYQF-GOSISDBHSA-N 566.482 4.800 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 225542947 SDJXICDIICUYRE-HNNXBMFYSA-N 568.445 4.720 0 40 KJAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)[C@H]4CCCN(S(=O)(=O)c5cc(C)ccc5C)C4)cc32)cc1 225920255 SLBMSCQSUMUILK-DEOSSOPVSA-N 547.677 4.554 0 40 KJAB COc1ccc(CNC(=S)Nc2nc(N3CCc4ccccc4C3)cc(N3CCC[C@@H](C)C3)n2)cc1 225931351 WKTYTFKBVGPIJC-HXUWFJFHSA-N 502.688 4.771 0 40 KJAB COc1ccc(C(=O)[C@H]2[C@]3(C(=O)Nc4c(Cl)cc(C)cc43)N3CCC[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC 229615815 XEXABDNAKDLJKS-FKVXNAHKSA-N 558.034 4.680 0 40 KJAB CN1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CCCN(C(=O)c3ccccc3C(F)(F)F)C2)CC1 257232403 GKSQQAUQDDWSOY-AREMUKBSSA-N 538.010 4.824 0 40 KJAB CC1(C)CCC2(CCN(CC(=O)Nc3ccc(Br)cc3)CC2)CN1S(=O)(=O)c1ccccc1 257282603 OULPKIDIJZADJC-UHFFFAOYSA-N 534.520 4.733 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 260738360 ALTZUMVSUPQJEL-HSZRJFAPSA-N 551.684 4.806 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)cc1Cl 260950226 SCJYIINSARPNMK-MUUNZHRXSA-N 588.145 4.966 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl 261044583 ZDPMQYJFQHXDEB-HXUWFJFHSA-N 552.137 4.535 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 261093526 UQKBFVNTSPVWAR-RNAHPLFWSA-N 579.763 4.715 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 261104475 WXECECDVLZWSKA-RPWUZVMVSA-N 553.700 4.970 0 40 KJAB COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc(OC)c1OC 408575619 NQBBLRIOGUFABA-UHFFFAOYSA-N 510.490 4.784 0 40 KJAB CCOC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 408589804 FPJVBANWPVQEDX-OAQYLSRUSA-N 521.422 4.698 0 40 KJAB O=C(CCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCC(=O)c1ccc(F)cc1 408647297 BOWTVLGYGKPQSS-UXRGOTNFSA-N 552.385 4.535 0 40 KJAB Cc1c(Br)ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)c1C 408683041 HDUQXESRGAWOAW-OALUTQOASA-N 513.388 4.541 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3sccc3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 408927608 QPHBKYDYLBTWCE-DUBROFONSA-N 558.603 4.872 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(CC)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1 408981811 CCTRKFZDZHMBBO-CLNXTWJPSA-N 563.679 4.919 0 40 KJAB O=C(c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 409026547 RWEPGDIQJJNXGZ-UHFFFAOYSA-N 569.683 4.769 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3ccc(-c4ccc(Br)cc4)o3)c2=O)=N1 409030698 HLWBYMJWFVBXKE-NLZIUFDSSA-N 549.446 4.821 0 40 KJAB COc1ccc(CCNC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409069324 MMIHLADXRANWSD-UHFFFAOYSA-N 551.890 4.661 0 40 KJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 409118434 ZTCHXHAPERDPJS-SFHVURJKSA-N 530.046 4.711 0 40 KJAB CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1c(C)cc(I)cc1C 409159637 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542.529 4.790 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 261116597 YQVPHFCMZURULQ-CUNXSJBXSA-N 586.154 4.669 0 40 KJAB CC(C)OCCCNC(=O)C(=O)Nn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2cc(Cl)ccc21 408579982 PIGKYFCLDABISS-UHFFFAOYSA-N 525.820 4.855 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(I)cc1 408617731 IXWCPRSQMVOJQU-UHFFFAOYSA-N 568.820 4.580 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(OC)c(Cl)cc2OC)c2ccc(C)cc2)cc1 408629851 JAWGHGBEYQYRCU-UHFFFAOYSA-N 504.992 4.508 0 40 KJAB CCn1c(S/C(=C\c2ccc(OC)c(I)c2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408634937 YDXCZAJNGKFVHW-OCKHKDLRSA-N 567.405 4.813 0 40 KJAB COc1cc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)c(OC)cc1Cl 408635574 FCWZNWUUBPMMER-UHFFFAOYSA-N 533.046 4.546 0 40 KJAB O=C(Nc1ccccc1C(=O)N1CCCCC1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 408714940 YXGLHLZEXJKXFN-UHFFFAOYSA-N 538.497 4.800 0 40 KJAB COCc1cccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4cccc(COC)c4)C5=O)cc3C2=O)c1 408723795 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S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Br)cc3)o2)N1CCCN1CCOCC1 223200276 SNKSRAXJGRSNDL-RPWUZVMVSA-N 527.488 4.799 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 223286637 YAMQMHWKZRGXQL-RUZDIDTESA-N 562.519 4.536 0 40 KJAB CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 223310048 FNZSEOILQAYOQU-PMERELPUSA-N 549.737 4.994 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 223427964 ZQROSGAHSDNMSW-WJOKGBTCSA-N 603.716 4.806 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 223513021 DKPHIENUGVEMRZ-PZGXJGMVSA-N 598.165 4.863 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(OC)cc1 223583639 UXNVBIJGVFJMRY-RUZDIDTESA-N 509.444 4.776 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223589003 FGPXHIKSEWOYAL-GDLZYMKVSA-N 565.736 4.755 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 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RXHJSGIMVZAJSL-UHFFFAOYSA-N 520.392 4.742 0 40 KJAB COc1ccc(CCNC(=S)N(Cc2ccco2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC 878444 CYMHERKYKZBEAU-UHFFFAOYSA-N 505.640 4.875 0 40 KJAB COc1cccc([C@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)c1OC 1372629 LPFJHZQFRDBKMM-GDLZYMKVSA-N 535.604 4.539 0 40 KJAB CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cccnc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 1375092 RIVQYWOBGARPIP-MUUNZHRXSA-N 523.641 4.737 0 40 KJAB CC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 1375156 KUPALBOGUCRSSX-HHHXNRCGSA-N 512.614 4.935 0 40 KJAB COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(NS(=O)(=O)Cc2ccccc2)cc1OC 2099588 LKDDZHYUGZNMGN-UHFFFAOYSA-N 508.596 4.802 0 40 KJAB biogenic CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Oc3ccc(Br)cc3)cc2)cc1 3327631 MVPSVCHLLVSFFY-UHFFFAOYSA-N 520.401 4.657 0 40 KJAB C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1Cl)C(=O)NCc1ccc2c(c1)OCO2 3362931 FEBATVJFFHOEFA-INIZCTEOSA-N 507.999 4.624 0 40 KJAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4cccc(Cl)c4)CC3)cc2c1 6162896 QTZQUKXTULUJQE-SANMLTNESA-N 534.064 4.593 0 40 KJAB CCOc1ccc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2Cc2ccco2)cc1 6601155 CQRIZOJPINDMEM-UHFFFAOYSA-N 510.645 4.748 0 40 KJAB COc1cc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCc2ccc(OC)c(OC)c2)ccc1O 8845729 NXGFJMKYPSNROM-NDEPHWFRSA-N 515.566 4.610 0 40 KJAB COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(C)ccc4O)c3[C@H]2c2ccc(OC)c(OC)c2)cc1OC 9184759 FJHICFMMMIKWLA-GDLZYMKVSA-N 529.593 4.913 0 40 KJAB Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)c3ccccc3)cc2)cc1C 9445926 IYJICNVWGJHPBW-NRFANRHFSA-N 515.562 4.876 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)c(Cl)c1 13023486 UMIYWBBCRZELDQ-XMMPIXPASA-N 508.985 4.698 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC(C)(C)CC)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1 13024436 YCJTWZFOFVNBSW-SANMLTNESA-N 519.671 4.966 0 40 KJAB COc1ccc(CNC(=O)[C@H](c2ccco2)N(Cc2cccc(OC)c2)C(=O)Cc2cccs2)cc1 13505923 AQOCBKRNJVYWSH-MHZLTWQESA-N 504.608 4.987 0 40 KJAB CC(C)c1ccc(OCC(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)cc1 16575933 UEEGOQBRFVELMB-UHFFFAOYSA-N 522.696 4.726 0 40 KJAB COc1ccc([C@@H](C)NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 20011621 RJYGWIQSOVGTIR-GOSISDBHSA-N 517.445 4.526 0 40 KJAB COc1ccc(Cl)cc1NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 20233826 XUDPASQKTHZWHE-UHFFFAOYSA-N 509.809 4.945 0 40 KJAB COc1cccc(CNC(=O)Cn2c3ccc(C)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)c1 35400140 RCVCKBFEAYPIRO-UHFFFAOYSA-N 500.986 4.686 0 40 KJAB CCOc1ccc(N(CC(=O)NCc2ccccc2OCC)S(=O)(=O)c2ccc(SC)cc2)cc1 44903549 PUGMNVLUIORCSL-UHFFFAOYSA-N 514.669 4.718 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c2ccc(Cl)cc2C)cc1 60061092 DWKDYWXRBOHQKE-UHFFFAOYSA-N 614.149 4.998 0 40 KJAB COc1cc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)O)ccc1OCc1ccc(Br)cc1 62715760 QTUYYCXPYCNYCF-GWECRGSCSA-N 510.384 4.862 0 40 KJAB CO[C@H]1C[C@@H](C)[C@@H](OC)c2cc(O)cc(c2O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](OC(N)=O)/C(C)=C\[C@@H](C)[C@H]1OC 66138787 SVSFCSOFEPJFSF-MKAZPVBUSA-N 560.688 4.979 0 40 KJAB COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](CC(C)C)C(=O)O)C(=O)N32)c1 70704937 AAQMEKVMBSHQSI-WBJKNQCFSA-N 580.641 4.889 0 40 KJAB biogenic C[C@H](N[C@H](C)CCc1ccccc1)[C@H](O)c1cc(I)c(O)c(I)c1 72266816 RFIXURDMUINBMD-VBHSOAQHSA-N 551.206 4.634 0 40 KJAB in-man CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)scc12 97957539 IBHSIXFJDFKWAJ-UHFFFAOYSA-N 622.647 4.926 0 40 KJAB CC(C)(C)C(=O)/C=c1\s/c(=C/c2ccc(Cl)c(Cl)c2)c(=O)n1CC(=O)NC1CCCCCCC1 97993937 LXOVDYRDOMUNII-MOQMDXHLSA-N 523.526 4.670 0 40 KJAB O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1 100285722 MPHOBYLVBVTELL-GDLZYMKVSA-N 606.774 4.501 0 40 KJAB Cc1c(Br)cc2c(c1Br)OC[C@@](CN1CCOCC1)(Sc1ccccc1)C2=O 100972298 RULPNKKFKXDSDL-OAQYLSRUSA-N 527.278 4.958 0 40 KJAB CCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccco2)N2c4ccccc4C=C[C@H]32)cc1 101042774 MRUBJMBPPSEFIT-RCOXAODPSA-N 510.546 4.509 0 40 KJAB COc1ccc(-n2c(SCC(=O)Nc3ccc(N4CCOCC4)cc3)nnc2-c2ccccc2)cc1OC 101218457 DYKJFWOZVJYAMF-UHFFFAOYSA-N 531.638 4.519 0 40 KJAB C[C@@H](OC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 103018258 LYHFDQOIUUUASI-LJQANCHMSA-N 571.552 4.744 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)c1 103133681 RLPJQUSYJVGHJL-UHFFFAOYSA-N 593.731 4.792 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OC)cc4C)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 103584203 YXTUTJARTNEALX-KMBIYUNPSA-N 577.058 4.807 0 40 KJAB CCC(=O)N1CCN(c2ccccc2NC(=O)c2cc(Br)cc(Br)c2OC)CC1 105321800 CCBYAKSYOBASDD-UHFFFAOYSA-N 525.241 4.531 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(OC)ccc3OC)S(=O)(=O)c3ccc(C)cc3)cc2)c1 198317105 BFVNJBQIKQZBRR-UHFFFAOYSA-N 655.751 4.664 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 222514595 GXHCKCFCMDAFOU-SSEXGKCCSA-N 591.680 4.855 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 222543912 UAMDBWPSENGTEG-IBGZPJMESA-N 548.492 4.660 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 222594551 WOUMYRRGZGDRJL-MUAVYFROSA-N 583.726 4.794 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 222675033 ACJPVAQENPKZLS-MHZLTWQESA-N 614.606 4.899 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)Cc2ccccc2)c2ccc(Cl)cc2)cc1OC 223202509 HZHMBFPECKLXJQ-UHFFFAOYSA-N 517.047 4.690 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223248653 QXWNOJRNGUVFBH-FCHUYYIVSA-N 580.589 4.944 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 223400250 RLFFOIOJQBWENZ-QHCPKHFHSA-N 558.091 4.887 0 40 KJAB CCCc1ccc(OCCNC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 223580188 NDQXXPXEARRZCJ-UHFFFAOYSA-N 510.656 4.737 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1cccc(C)c1 223589411 STEVTHNOUXPIEV-RUZDIDTESA-N 509.444 4.913 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 223619888 GNCTYRDMXCALLA-JOCHJYFZSA-N 542.101 4.706 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 223899249 ZBQGONIFRUMENE-JOCHJYFZSA-N 616.578 4.905 0 40 KJAB COc1ccc(-c2nnc(NC(=O)[C@H]3CCCN(S(=O)(=O)Cc4c(Cl)cccc4Cl)C3)s2)cc1 223959360 UXUZWCUIOXWKDR-HNNXBMFYSA-N 541.482 4.701 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1 224115020 BAJNFQHSOWQJCW-VWLOTQADSA-N 535.710 4.688 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 224364561 UAXJYXAIUYWSMG-MUUNZHRXSA-N 583.726 4.547 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 224434663 RDNCOXKFFBXFBI-NDEPHWFRSA-N 567.727 4.763 0 40 KJAB COc1ccccc1[C@H](C)NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 224577723 BMBFAOSIILMYBC-SFHVURJKSA-N 517.445 4.839 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224580287 QDYLRDSALKUPQL-XMMPIXPASA-N 570.539 4.634 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 224639580 AIJLCZMBYXTGNP-DEOSSOPVSA-N 535.710 4.696 0 40 KJAB Cc1ccc(CN(C(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)cc1 224755576 BNCUSQBWIIJQHN-NRFANRHFSA-N 549.684 4.686 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 224853961 WSNDFIHYEGJHEY-HSZRJFAPSA-N 539.673 4.581 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 224868021 XLPQUQKGRZFSGP-HSZRJFAPSA-N 600.565 4.500 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC1CCCCC1)c1ccc2c(c1)OCCO2 224921661 ULQKDSWDNHNVHD-IBGZPJMESA-N 612.576 4.787 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 224966085 NBUZLQHTHGLOBV-SANMLTNESA-N 604.542 4.519 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 224977771 ZORXNKUJLGYPLI-NDEPHWFRSA-N 553.700 4.537 0 40 KJAB CCn1c(=O)sc2cc(NC(=O)CN(c3cccc(C)c3C)S(=O)(=O)c3ccc(C)cc3)ccc21 225086821 KGCBJZHHVCUOSF-UHFFFAOYSA-N 509.653 4.842 0 40 KJAB COc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 225103559 LPBQHLDDZUCPJF-LJAQVGFWSA-N 516.638 4.782 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 225160733 WJWDHOXAACRJQJ-OAQYLSRUSA-N 539.673 4.611 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 225182948 WQDSFHFHVREPKB-XMMPIXPASA-N 536.138 4.837 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 225237364 FWQHIXXSCQRDGM-MHZLTWQESA-N 572.127 4.878 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 225315531 LFWLFAIPKWDJPM-PMERELPUSA-N 635.783 4.918 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 225385432 MTEDQJFLYQSGQA-FCHUYYIVSA-N 572.127 4.876 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 225529661 HGWINBLVMABXHW-HKBQPEDESA-N 629.779 4.902 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 225728397 KQXGFGKGULSSFT-QFIPXVFZSA-N 562.054 4.765 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 252527798 DJLNTCRLEVPJJT-ANHUGMMASA-N 642.797 4.644 0 40 KJAB C/C=C/[C@H]1O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@@H]2OC)C[C@@H](O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H]1C 255280658 XKYYLWWOGLVPOR-GKJVGUBMSA-N 823.074 4.881 0 40 KJAB in-vitro COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1Cl 260710512 CQYCKXYLHSKMFX-HXUWFJFHSA-N 576.090 4.625 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1 260815170 VQGLKNBUPCLROG-GOSISDBHSA-N 540.513 4.544 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 260826228 YPRYZRRZAVARJO-JOCHJYFZSA-N 531.694 4.547 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)c1 260874294 LLGFLJCLORYGID-JOCHJYFZSA-N 646.604 4.912 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c1C 260939468 OABRMZMJHCDBJF-GDLZYMKVSA-N 567.727 4.621 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccc2c(c1)OCCO2 260952239 VOPHZSSWDBGGEM-SSEXGKCCSA-N 619.784 4.703 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 260979916 NYSCEJCGKSUFOM-SFTDATJTSA-N 522.111 4.527 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 260999149 RIRKSQVWBWTMBD-MOPGFXCFSA-N 542.529 4.872 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 261040285 YOLNMVZMTHKWAK-NLFFAJNJSA-N 537.673 4.542 0 40 KJAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 408546197 CSALUEUOBRXCDI-MRXNPFEDSA-N 556.493 4.896 0 40 KJAB CC[C@@H](C)NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(C)cc2Br)cc2cc(Br)ccc21 408572874 AIBWNWYXOHXZGL-CYBMUJFWSA-N 550.251 4.712 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)c2cc(C)ccc2C)cc1 408616811 CFPSSFDYJXDLML-UHFFFAOYSA-N 507.656 4.974 0 40 KJAB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1 408653419 PTXCQWURVAWWNY-XQOBHTRLSA-N 607.084 4.687 0 40 KJAB CC(=O)c1cccc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408660339 PRQVRPBPILPFGG-PLBSAUALSA-N 533.411 4.809 0 40 KJAB Cc1c(Br)ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c1C 408681985 JXQRRKFMNQMOJV-ILJHRIKUSA-N 587.470 4.828 0 40 KJAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)c1)Nc1ccc(F)cc1 408684065 JJOKHVXQXLOPIK-DTTIITEWSA-N 512.537 4.550 0 40 KJAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1Cl 408712547 KCAALSZJZRSUND-OAHLLOKOSA-N 572.492 4.596 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C(C)C)c(OC)cc3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408852116 CHDMTUJZFOCOGY-CBYYHRJHSA-N 525.070 4.892 0 40 KJAB COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(I)cc3)o2)cc1 409011578 GKXBJDPREOIRFM-UHFFFAOYSA-N 509.369 4.589 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409038184 OULJVXWFORBXIA-PNQAETMRSA-N 672.756 4.880 0 40 KJAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)C1=O 409049148 VBNZANLWZXHNDB-RQZCQDPDSA-N 510.351 4.870 0 40 KJAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCC(=O)OC)c(Br)c3)C2=O)cc1 409097898 NVTXOPKLYJCHHR-VCHYOVAHSA-N 583.844 4.728 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)S(=O)(=O)c1ccc(C)cc1 409137175 VNBWFKBOQJCHGL-UHFFFAOYSA-N 547.633 4.751 0 40 KJAB O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 409259815 FYZBNVSIVYEGMG-UHFFFAOYSA-N 568.504 4.612 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1C 409347082 NYXFOKXMKHSPEP-OAHLLOKOSA-N 502.438 4.591 0 40 KJAB C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCC(=O)Nc2nc3ccccc3s2)n1C 409355725 KJQGRCWXFOANGY-LLVKDONJSA-N 521.455 4.953 0 40 KJAB CCCCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc24)C(C(=O)N(CC)CC)=C(C)N=3)c2ccccc21 409391475 ZSDIRHPQEXEBMB-QPNXRCJGSA-N 608.764 4.782 0 40 KJAB Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cccc1-c1ccc(OC(F)(F)F)cc1 643551861 LTITUCQTAQBHIX-UHFFFAOYSA-N 533.572 4.749 0 40 KJAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 922772 MLKRWLZVGMVLLU-UHFFFAOYSA-N 512.697 4.541 0 40 KJAB COc1ccc([C@H](NC(=O)/C=C/c2ccco2)c2cc(OC)c(OC)cc2Br)cc1OC 1211441 OSDFSCCKYKKYHA-DRBUTMMVSA-N 502.361 4.996 0 40 KJAB CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccccc1 2301015 SNHQIJQFYOORRA-YLXJWSIRSA-N 521.411 4.511 0 40 KJAB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC(C)C)cc3)cc2)CC1 4122826 IERAVPFHKRDBNN-UHFFFAOYSA-N 516.667 4.871 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(F)cc4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC 8452331 RGDPLCSTVRYOJS-PQRKSKNISA-N 602.684 4.924 0 40 KJAB COC(=O)c1sccc1NC(=O)CSc1ccccc1NS(=O)(=O)c1ccc(Br)cc1 8654404 NUTCULFNOONNRU-UHFFFAOYSA-N 541.470 4.829 0 40 KJAB aggregator COc1ccc([C@H](C(=O)Nc2ccc3c(c2)OCO3)N(Cc2ccccc2C)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1OC 8712854 XBMOVJSNTMLHSM-JGCGQSQUSA-N 621.646 4.679 0 40 KJAB Cc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N1CCOCC1 8774556 SAUNADIRYAWBHM-UHFFFAOYSA-N 504.530 4.954 0 40 KJAB COc1cccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccccc2Cl)C(=O)Cn2nnc3ccccc32)c1 12714194 CGOVDLRCECECCI-SANMLTNESA-N 520.033 4.778 0 40 KJAB Cc1ccc(OCC(=O)N(CCCN(C)C)c2nc(CC(=O)Nc3ccc(Cl)cc3)cs2)cc1 12833640 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O=C(O)COc1ccc(Br)cc1/C=C1\SC(=O)N(Cc2ccc(F)cc2Cl)C1=O 34106904 KUPDMOXEXZHXFC-SOFYXZRVSA-N 500.729 4.942 0 40 KJAB O=C(N/C(=C\c1ccccc1)C(=O)N1CCN(C(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)CC1)c1ccccc1 34556443 LBYIEKZCITVZMY-WVMMTVHUSA-N 584.676 4.599 0 40 KJAB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(Br)c(C)c1 39751290 ZWKKEXQBMCBUHY-UHFFFAOYSA-N 505.438 4.708 0 40 KJAB COc1ccc(Br)cc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 59331672 IUZPVQYTIYSAFC-LLVKDONJSA-N 524.506 4.896 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1Cl 59930275 MGIMPQAOZOYGTL-WZONZLPQSA-N 547.073 4.523 0 40 KJAB CCC1=C[C@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 85536956 GBABOYUKABKIAF-JKVZWNDSSA-N 778.947 4.754 0 40 KJAB world COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)c3c(C)n(C)c4cc(C)ccc34)co1)CC2 96222443 XWFPONOOLJGEGY-UHFFFAOYSA-N 516.594 4.586 0 40 KJAB biogenic Cc1ccc(-c2nnc(Nc3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)c3ccccc23)cc1S(N)(=O)=O 97967028 AICLULIOZKFABD-UHFFFAOYSA-N 608.724 4.724 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 100095434 PYMHSNJZPLEGCN-UHFFFAOYSA-N 582.531 4.975 0 40 KJAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1Br 100881973 LRPQLIFIQYMTRH-WSOYEBOPSA-N 547.380 4.995 0 40 KJAB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccncc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N23)cc1 101590337 GSMRCWXPZWMLMS-WFPUBZAHSA-N 555.590 4.863 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CC23C[C@@H]4C[C@H](CC(Br)(C4)C2)C3)c1 104932963 LXTGZSWUAOESLM-PQJGELLGSA-N 513.498 4.788 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c(Cl)c2)cc1 215911599 CAPHRLSCMGRNIV-UHFFFAOYSA-N 563.082 4.959 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 222410895 UEBOXAWSVKBXRF-JOCHJYFZSA-N 542.101 4.624 0 40 KJAB 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4.612 0 40 KJAB COc1ccc(CN(Cc2ccccc2)C(=O)COc2c(OC)cc(Br)cc2C(=O)O)c(OC)c1 257304094 SKASBGNXLNEVKX-UHFFFAOYSA-N 544.398 4.781 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(SC)cc1 260764745 VBFSUXAAQUIAMC-HSZRJFAPSA-N 613.802 4.953 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 260797253 PBUFVUHFKSIKMS-HSZRJFAPSA-N 611.761 4.548 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 260868388 DIKXJHLHNQANIF-HSZRJFAPSA-N 599.725 4.618 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2cccc(OC)c2)[C@@H](CC)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 260904859 FEWXACHPVXPJQW-AMGIVPHBSA-N 545.746 4.526 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)c1C 260921348 UAWKKJFANYOMTA-XMMPIXPASA-N 553.700 4.827 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 260958540 WNYRHDWHOKVWOQ-SSEXGKCCSA-N 563.764 4.790 0 40 KJAB 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COc1c(I)cc(I)cc1[C@@H]1Nc2ccccc2-c2nnc(SC)nc2O1 8443750 RWDKFEYWLSFLQX-MRXNPFEDSA-N 604.211 4.981 0 40 KJAB CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c2n(c1-c1ccc(Cl)c(Cl)c1)CC[S@@]2=O 8655675 AOIXCHKKIQMPFK-MGBGTMOVSA-N 516.447 4.852 0 40 KJAB COc1cccc(N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)[C@@H](C(=O)NC(C)(C)C)c2c[nH]c3ccccc23)c1 8666990 ADWRBJOJHVJCPG-MUUNZHRXSA-N 551.651 4.828 0 40 KJAB CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cccc(I)c2)CC1 8904344 ODLOGYGQYZZHNC-UHFFFAOYSA-N 511.791 4.502 0 40 KJAB COc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc12 10187684 OLVNBYVZOSWUJV-UHFFFAOYSA-N 522.652 4.640 0 40 KJAB C[C@H]1Cc2nc(SCC(=O)Nc3ccc(Br)cc3)n(Cc3ccccc3)c(=O)c2S1 11726577 BFPGTSOSGWQYET-AWEZNQCLSA-N 502.459 4.822 0 40 KJAB Cc1ccc([C@@H](C(=O)NCc2ccco2)N(CCc2ccccc2)C(=O)CNC(=O)c2cccs2)cc1 12485538 ZBBLDBIGMYZEHE-MHZLTWQESA-N 515.635 4.508 0 40 KJAB C[C@H](c1ccccc1)n1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nc2ccccc2c1=O 12546818 OUOHILYAMGHQNE-HXUWFJFHSA-N 500.624 4.573 0 40 KJAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc(SCC(=O)N[C@H](C)CCc2ccccc2)s1 12564935 UKSAEZYEDUPGLM-BGYRXZFFSA-N 528.769 4.997 0 40 KJAB COc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1S(=O)(=O)N1CCCC[C@@H]1C 13145810 RJWYAJZFUMHXRX-SFHVURJKSA-N 513.685 4.888 0 40 KJAB CCOC(=O)c1sc(NC(=O)CSc2nc(C)c3c(n2)CCC3)c(C(=O)Nc2ccccc2)c1C 14137279 LIJFJTMRUJFMME-UHFFFAOYSA-N 510.641 4.803 0 40 KJAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N(Cc1ccc(OC)cc1)C[C@@H]1CCCO1 20082974 RVWKGOBBIFMAAT-RPLLCQBOSA-N 530.673 4.747 0 40 KJAB COc1cc2nc(S)n3nc(C4CCN(C(=O)c5cc(F)c(Cl)cc5F)CC4)nc3c2cc1OC 20216165 KDCFHZRUGRFWDN-UHFFFAOYSA-N 519.961 4.535 0 40 KJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1 30758992 IAKXHJYLRNOXQI-NRFANRHFSA-N 504.992 4.954 0 40 KJAB COc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)cc3)CC2)cc1 57316241 DRIQFGOXTYKAKY-UHFFFAOYSA-N 523.058 4.746 0 40 KJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4OS(=O)(=O)c4ccccc4)[C@@H]3C2=O)cc1 97954553 PZOAVUVOTVTTCY-IARZGTGTSA-N 540.597 4.814 0 40 KJAB COc1ccc(CNc2nc(NCc3ccc(OC)c(OC)c3)n(C(=O)c3ccc(Cl)cc3)n2)cc1OC 97995296 WAPKISVTGIFZSQ-UHFFFAOYSA-N 538.004 4.879 0 40 KJAB COc1cc([C@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccc(Cl)cc2)c(OC)c2c1OCO2 100256080 ZUQMTUJYBATFSI-CYFREDJKSA-N 521.909 4.724 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1ccc(O)cc1)N(Cc1cccs1)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 100289883 JBGVHVITFFOZMP-SANMLTNESA-N 565.099 4.980 0 40 KJAB COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 101359682 VVNDTHVSNPMBLA-XPGKHFPBSA-N 513.981 4.811 0 40 KJAB COc1ccc([C@@H]2C=C3c4cc(OC)c(OC)cc4CCN3C(N)=C2S(=O)(=O)c2cccc(Cl)c2)cc1 101373888 SCSBZEYROPRAQR-QHCPKHFHSA-N 539.053 4.964 0 40 KJAB CC(C)C[C@@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]12 101503858 GAXRLZJQFGZOJI-CCPXWOOUSA-N 542.998 4.559 0 40 KJAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3sc4ccccc4c3Cl)cc2)s1 101538928 VTMHWAOTHQPAKL-UHFFFAOYSA-N 538.101 4.896 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OCC)c(OCC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 103789044 TWUXCWRKZFXNOB-PZHBDVNGSA-N 581.012 4.792 0 40 KJAB O=C(NC(=S)NN(C(=S)NC(=O)c1ccccc1Br)c1nc2ccccc2[nH]1)c1ccccc1Br 150482521 JAXWIQBYENTSPH-UHFFFAOYSA-N 632.363 4.829 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4ccc5ccccc5c4)c(OC)c3)c(=O)n2[C@H]1c1cc(Cl)c(O)c(OC)c1 150524392 QISIXNRMNRPPOL-VYVQNISGSA-N 700.169 4.955 0 40 KJAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)CC1 216489011 LBRPNCYHMVXHIC-UHFFFAOYSA-N 510.631 4.571 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 222506298 DGXOTNQTORTVNY-PMERELPUSA-N 591.680 4.855 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 222522921 LCVGEZRAPRRMQA-PWUYWRBVSA-N 625.788 4.938 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 222572567 ZAXUNZUGAJAIOA-QDPGVEIFSA-N 553.700 4.786 0 40 KJAB CCOCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 222789915 RVPJYAYJINBUEE-OAQYLSRUSA-N 606.116 4.619 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 222821007 QRAZKDMYLSPNMJ-VJGNERBWSA-N 594.550 4.503 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 223001962 ZWTKZTCRESVNBA-NDEPHWFRSA-N 586.154 4.527 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 223057120 AYWAMBWXGWYDHR-NRFANRHFSA-N 586.552 4.760 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c2ccccc2C)cc1 223102519 IOTFFSRVSMNGPF-VWLOTQADSA-N 549.737 4.873 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223114029 GTBLAIIZJKTUHF-HHHXNRCGSA-N 586.154 4.671 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1 223164759 SNPSHKINBQDYLX-PMERELPUSA-N 591.705 4.606 0 40 KJAB CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 223299720 VYYPXQAVXORNII-LJAQVGFWSA-N 535.710 4.525 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 223306697 AYOWDBQVLBTDHV-INIZCTEOSA-N 640.371 4.698 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O 223569734 INRKDQBUZLHQOS-MHZLTWQESA-N 600.579 4.554 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 223603754 CANJQBKDKLPZEP-NDEPHWFRSA-N 581.735 4.976 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 223701438 YBQFBGDUJGCNPD-AREMUKBSSA-N 592.545 4.544 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 223796993 ARBVNIFWOQVEFW-OAQYLSRUSA-N 558.100 4.842 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 224049664 SLRURROTDQQHHR-DEOSSOPVSA-N 563.720 4.675 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 224102865 LHEZHZDGQDIIMB-MHZLTWQESA-N 535.710 4.696 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 224361156 BCWHCYKCGFIFHS-DEOSSOPVSA-N 564.148 4.761 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224721083 UCZFZECWMFEWRP-VWLOTQADSA-N 595.762 4.768 0 40 KJAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(=O)O)c2)c1 224848940 MRJUCAMXANOSGC-JWQCQUIFSA-N 500.580 4.765 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 225012374 AXZLUYOEPOCLMO-OAQYLSRUSA-N 602.551 4.597 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225119478 IYFJZSJEVQVUEA-HHHXNRCGSA-N 581.735 4.541 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 225134114 MRCKLQWAZHSNFJ-SFHVURJKSA-N 540.513 4.626 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 225195619 ONARGHZQXQQWRR-IBGZPJMESA-N 554.485 4.692 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 225335601 QRCVVXHKFVULRY-VWLOTQADSA-N 564.148 4.679 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 225405291 SVSJDYJIGPEEKV-LJAQVGFWSA-N 581.735 4.623 0 40 KJAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 225436917 GUWXDCRFQGAXPS-GDLZYMKVSA-N 609.789 4.892 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 225471713 LJCYVPADMRKLMI-QDPGVEIFSA-N 551.709 4.613 0 40 KJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C)c2)cc1NS(C)(=O)=O 225475738 YVRPSWXGOMDCEA-UIOOFZCWSA-N 533.679 4.738 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC)S(C)(=O)=O)cc1 225639952 REOREEUWMJEYHA-NDEPHWFRSA-N 586.154 4.671 0 40 KJAB C[C@@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)NCC2(c3ccccc3)CCCCC2)n1 225982757 WWSJZJYYAMGXQS-JOCHJYFZSA-N 508.736 4.881 0 40 KJAB Fc1ccc(C2(CNC(=S)Nc3nc(Cl)cc(N4CCN(c5ccccc5)CC4)n3)CCOCC2)cc1 226002438 UCRPZNHQDOPFPO-UHFFFAOYSA-N 541.096 4.631 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCNc2ccnc3cc(Cl)ccc23)Cc2cccc(C)c2)cc1 226031716 GYAQIEAISLBTQK-UHFFFAOYSA-N 537.085 4.924 0 40 KJAB CC1(C)CCC2(CCN(CC(=O)Nc3nc4ccc(F)cc4s3)CC2)CN1S(=O)(=O)c1cccc(F)c1 257311444 UJMGPNLQNXWUIB-UHFFFAOYSA-N 548.681 4.859 0 40 KJAB Cc1cc(CN2CCO[C@@](COc3cc(C)c(Cl)c(C)c3)(CC(=O)N3CCC(O)CC3)C2)c(C)s1 257341052 ZIQUHJADIBCINA-MHZLTWQESA-N 521.123 4.659 0 40 KJAB C[C@H]1CC[C@H]2[C@H](O1)c1cc(OCc3ccccc3)c(C(=O)NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc1OC2(C)C 257344388 ZXADBMWXXFLCEX-VRKFOXNMSA-N 599.727 4.815 0 40 KJAB CC[C@@H]1C[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 257375780 AGKYIOIIEPFTEV-IBSHYZQTSA-N 794.990 4.876 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC)S(C)(=O)=O)cc1 260765744 RLXHERFQGLLTOC-AREMUKBSSA-N 592.545 4.544 0 40 KJAB COc1ccc(CN(C(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1 260815173 VQIGUPZSFJBVHI-HXUWFJFHSA-N 552.137 4.535 0 40 KJAB CN(C)S(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccccc1F 260916702 LMIZVWZAWANBHV-SSEXGKCCSA-N 612.743 4.667 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 261042893 YXZQZHLLYLGSJX-YADHBBJMSA-N 602.153 4.885 0 40 KJAB Cc1c(Cl)cccc1NC(=O)c1cc2cc(Br)ccc2n1NC(=O)C(=O)NCc1ccc2c(c1)OCO2 408579122 MWDPKNPPTKTBHD-UHFFFAOYSA-N 583.826 4.733 0 40 KJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)ccc1C 408612099 UFXQARMJAOYWSI-UHFFFAOYSA-N 514.607 4.682 0 40 KJAB COc1cc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cc(C)ccc2OC)c(OC)cc1Cl 408622416 OIOJYJVRLGPODX-UHFFFAOYSA-N 522.982 4.647 0 40 KJAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)Nc1ccc(I)cc1 408627202 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COc1cc(C(=S)N2C[C@H](C)O[C@H](C)C2)ccc1OCC(=O)Nc1ccc(Br)cc1C 409256745 PLHJPNVODDMYSK-IYBDPMFKSA-N 507.450 4.568 0 40 KJAB CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 409353202 ZBLXSWGMWZXLOE-UHFFFAOYSA-N 632.812 4.767 0 40 KJAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1c(F)cc(F)cc1Br 409362033 RPONZJRSLYTKEZ-UHFFFAOYSA-N 524.391 4.559 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)C1=O)Nc1ccc2c(c1)OCO2 409380966 CLYGVIMWUNDQRW-YPEHOIGNSA-N 519.318 4.504 0 40 KJAB O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(C(F)(F)F)c1 409381006 CREQVEYSKQQCTK-KIXCERJESA-N 587.469 4.865 0 40 KJAB O=C(Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c2ccccc21)Nc1ccccc1 409381269 FCBOLKWTHFPQEI-YUMHPJSZSA-N 550.640 4.901 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1Cl 409408205 JHVZOZCRIURATC-UHFFFAOYSA-N 531.837 4.713 0 40 KJAB CC(=O)NC1CCN(C(=O)C[C@]2(COc3cc(C)c(Cl)c(C)c3)CN(Cc3ccccc3Cl)CCO2)CC1 585283708 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CCOC(=O)CSc1nnc2n(Cc3ccccc3)c(=O)c3c(n12)-c1ccccc1CC31CCCC1 2296266 MQZFLZPMFZPKAW-UHFFFAOYSA-N 500.624 4.629 0 40 KJAB biogenic CC(=O)n1cc(/C=C2\N=C(c3cc(I)ccc3Cl)OC2=O)c(-c2ccccc2)n1 2305317 OZQFTDTXACBXGT-NVMNQCDNSA-N 517.710 4.813 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OCC)cc4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 2997122 LBCQVFZACUECNJ-OCEWKHMESA-N 577.058 4.888 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)cc1 3187838 RHEIUHGCIFVYIO-UHFFFAOYSA-N 525.656 4.513 0 40 KJAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 3273450 AYMPWSYGZUMVIG-UHFFFAOYSA-N 535.405 4.549 0 40 KJAB CCN(CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)Nc1cccc(Cl)c1 6193017 RBXQZXBJTNRZRR-UHFFFAOYSA-N 501.052 4.841 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)C(C)(C)C)cc1 6601315 MGMIZLALQRYJOG-MHZLTWQESA-N 532.689 4.865 0 40 KJAB O=C(COc1ccc(Br)cc1Br)N1CCN(C(=O)COc2ccc(Br)cc2Br)CC1 8399604 QIJXHHZRNJXGIQ-UHFFFAOYSA-N 669.990 4.865 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C\c3ccc(OCC(=O)OCC)cc3)c2=O)=N1 8452514 GWZGRLBEFVSHMF-CUJRCQHQSA-N 614.720 4.682 0 40 KJAB COC(=O)[C@H](C)N1C(=S)N(c2ccc(Cl)cc2)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C 8951173 UYQMQANBWUDVBO-DJJJIMSYSA-N 511.431 4.990 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)c1C 10442501 RBHLBSWJYRAARS-UHFFFAOYSA-N 517.003 4.668 0 40 KJAB Cc1ccc(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1 12563172 KRCRWPNJVQEBEW-UHFFFAOYSA-N 506.624 4.556 0 40 KJAB CC(=O)c1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCC1)c1ccccc1C 13029517 JIKOZOUZMNBFCI-GDLZYMKVSA-N 509.610 4.776 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(N2C(=O)/C(=C\Nc3ccc(C)c(C)c3)c3ccccc3C2=O)c1 15979274 OBOSLPTZNMJQLP-ITYLOYPMSA-N 503.624 4.974 0 40 KJAB COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1OC 20021067 HBXLIJSWNSYVMJ-QGZVFWFLSA-N 519.019 4.723 0 40 KJAB CCOC(=O)C1=C(C)Nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2[C@@H]1c1cc(OC)c2c(c1)OCO2 35326311 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570.520 4.668 0 40 KJAB CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccc5c(c4)OCO5)c(OC)c3)C(=O)O2)cc1OCC 104138809 WSQHNXLXGYUPRN-NDENLUEZSA-N 531.517 4.785 0 40 KJAB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4ccc(I)cc4)ccc32)cc1 104406508 SZGQQJBFVQMHSO-UHFFFAOYSA-N 532.403 4.993 0 40 KJAB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4ccc(I)cc4)cc3)CC2)cc1 105317322 PHUWJVWJTRYHIS-UHFFFAOYSA-N 584.483 4.689 0 40 KJAB COc1ccc(N(CC(=O)NCCSCc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 105777093 YBJKXVGMEAADBD-UHFFFAOYSA-N 549.114 4.911 0 40 KJAB CC(C)(C)COC(=S)S[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 195751150 RIKVTIZLQNLEBA-UHFFFAOYSA-M 513.316 4.734 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 222619300 JMKBEEKMOZXOMI-AREMUKBSSA-N 557.663 4.801 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C 222689233 ORWWVAZJGDSZIN-KRWDZBQOSA-N 562.054 4.765 0 40 KJAB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 222744807 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4.605 0 40 KJAB CC(C)c1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 224742760 BJQPIXZDFRTFAT-FQEVSTJZSA-N 578.573 4.815 0 40 KJAB COc1ccc(OCCNC(=O)c2ccc(CN(c3ccc(Cl)c(Cl)c3)S(C)(=O)=O)cc2)cc1 224899487 UQFXXDOYWFTHFM-UHFFFAOYSA-N 523.438 4.777 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc(F)c(F)c1 224954193 HTSAMHZPCDKAIA-NDEPHWFRSA-N 587.664 4.569 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 224971255 CHSFSRRLTNOACU-SANMLTNESA-N 578.081 4.549 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 225136973 XSUOXOFWKADYBG-NDEPHWFRSA-N 551.709 4.533 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 225154794 AMGIJFLVBRTITG-VQTJNVASSA-N 536.138 4.736 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 225166033 WMLYZMXVTJWDNT-MHZLTWQESA-N 535.710 4.832 0 40 KJAB 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CCOC(=O)c1cccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2cc3cccc(C)c3[nH]c2=O)c1 913545 FXFNLUXZISHNLJ-UHFFFAOYSA-N 508.571 4.543 0 40 KJAB CCOC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OCC)C1c1cc(Br)c(O)c(OC)c1 2796952 WUGVLSQSQVKIPZ-UHFFFAOYSA-N 546.414 4.665 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3ccc(Br)cc3)o2)c1 3221808 GKGZSKFEVCMAOM-UHFFFAOYSA-N 510.435 4.505 0 40 KJAB COc1ccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc(F)cc2)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1 6973695 SWOSVWPUPRRNBB-KJKFISAKSA-N 585.723 4.806 0 40 KJAB O=C(NCCCCCCNC(=O)NCCOc1ccccc1Cl)NCCOc1ccccc1Cl 8767902 DNHJKMDJQXONMP-UHFFFAOYSA-N 511.450 4.610 0 40 KJAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)c1 10444956 GTMYYXCHKUWISZ-UHFFFAOYSA-N 517.003 4.668 0 40 KJAB C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)N1N=C(c3ccc4ccccc4c3)C[C@@H]1c1ccccc1)CS2 12542835 BBJIQLMAUFEMPQ-AHPZMPFVSA-N 513.619 4.515 0 40 KJAB CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(CCc2ccccc2C)C(=O)Cn2nnc3ccccc32)cc1 12713814 KXYCHFWICLMKKK-GDLZYMKVSA-N 527.669 4.866 0 40 KJAB 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537.707 4.906 0 40 KJAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Br)c(Br)s3)cc2)nc(C)n1 98046995 VFAQOJKXCXQJQC-UHFFFAOYSA-N 546.266 4.733 0 40 KJAB Cc1cc(NC(=O)[C@H]2[C@H]3C(=O)N(c4ccc(C5CCCCC5)cc4)[C@H](C(=O)NC(C)(C)C)[C@@]34C=C[C@]2(C)O4)no1 100431692 YQVPVMDKMYDRSY-ZVWKHFFDSA-N 546.668 4.629 0 40 KJAB Cc1c(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nc4ccccc4s3)c2)c(=O)n(-c2ccccc2)n1C 103015956 QNQIDCKUIBRFSV-UHFFFAOYSA-N 568.080 4.825 0 40 KJAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(I)cc4C)c3)C(=O)[C@H]2C1 111992356 GHPHWHUYCVAHAP-MOPGFXCFSA-N 500.336 4.698 0 40 KJAB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc(I)c1O 167531904 YTRLWIWEOZYOAC-FJWZAKCXSA-N 598.487 4.699 0 40 KJAB COc1ccc(/C=C(\C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n2ccccc2=O)cc1 199404357 QBEOARNGXRVLRK-RMLRFSFXSA-N 505.618 4.789 0 40 KJAB O=C(CSc1nnc(-c2ccc(Br)cc2)[nH]1)Nc1ccc(I)cc1 216029411 OESMESWKBSGUGD-UHFFFAOYSA-N 515.174 4.570 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N3C[C@H](C(=O)NCc4ccccc4)Oc4ccccc43)cc2)c1 222688093 VVZKJQDZRIESCW-SSEXGKCCSA-N 585.682 4.594 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 223093606 QORWXAGCSFJWAE-HKBQPEDESA-N 569.727 4.967 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 223228270 BQUAFAYIWMMPPW-HKBQPEDESA-N 619.715 4.790 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223253731 BVDGGMVMNKCPTC-VWLOTQADSA-N 529.747 4.781 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223433099 IQWFNAXQGUWHGM-HSZRJFAPSA-N 570.127 4.756 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 223674828 PFHFINNTEYMMMJ-RNWIMVQKSA-N 567.727 4.763 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223745473 CAIRLDIOFMQITG-LJQANCHMSA-N 638.570 4.768 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 223823715 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CCOc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 224096489 JTEFMJCMDFUICJ-DEOSSOPVSA-N 595.737 4.938 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 224119185 IOYYZYNEAIFBID-MUUNZHRXSA-N 551.684 4.887 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 224215664 DGEXPSMTBNVOCA-VWLOTQADSA-N 534.122 4.589 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 224670901 DDRHQVDGRLNYOM-RUZDIDTESA-N 535.710 4.751 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 225016413 ZIZJPJLNVRBGIR-DEOSSOPVSA-N 534.122 4.671 0 40 KJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 225044559 WRGXRNYZURUGQS-QFIPXVFZSA-N 572.127 4.530 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 225063542 KPKZBOOWZMBFQT-MUUNZHRXSA-N 557.757 4.806 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 225297144 NXDSPTCNLPDRGY-LJAQVGFWSA-N 549.737 4.626 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225310114 ZLTXJIVBMVUTPU-NDEPHWFRSA-N 570.155 4.825 0 40 KJAB COC(=O)c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)o1 225414650 NFRXBAYFTULDDL-DQEYMECFSA-N 548.646 4.677 0 40 KJAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Br)s2)ccc1NS(C)(=O)=O 225445223 GXKFALPVEJRLCT-RBUKOAKNSA-N 523.503 4.763 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225505614 QVFZDNCMRMKESK-QFIPXVFZSA-N 633.552 4.737 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c1 260761873 DSXMTIKZJXSWPX-XMMPIXPASA-N 623.772 4.774 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1 260797325 PGGOFLQLYVUZHJ-JOCHJYFZSA-N 527.731 4.535 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1 260860212 HSPSAWMAWRMOKM-MUUNZHRXSA-N 570.155 4.888 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 260905835 PJEYTYYZEOVHGG-VXKWHMMOSA-N 572.127 4.876 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)Oc3ccc(C)cc32)cc1 260912228 AOXKUYLPTVQTED-WTYVLRPYSA-N 520.651 4.716 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1OC 260943778 DJOQDWOGFVHVBB-AREMUKBSSA-N 660.631 4.787 0 40 KJAB COc1cccc(N(CCCC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 261020747 IFBVASKYPUFZLE-GDLZYMKVSA-N 579.763 4.796 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 261040266 YNUXZQJKUMTECP-JXFKEZNVSA-N 546.492 4.621 0 40 KJAB CC[C@H](C)NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)cc2C)cc2cc(Br)ccc21 408578678 LLGDOZFAOOANDW-ZDUSSCGKSA-N 550.251 4.712 0 40 KJAB 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224493046 RKIVTFOEJXUTPN-HXUWFJFHSA-N 548.920 4.665 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 224509909 NRBBXDPNDCABDY-AREMUKBSSA-N 636.598 4.943 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 224538824 DEFMFCVQDTZDJU-GDLZYMKVSA-N 565.736 4.611 0 40 KJAB CCOc1ccccc1N(CC(=O)NCc1cccc(CN2CCCC2)c1)S(=O)(=O)c1ccc(SC)cc1 224606915 QFOTZMZREAEKFB-UHFFFAOYSA-N 553.750 4.915 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 224695235 ILPMTBZKDOEVMM-DEOSSOPVSA-N 536.138 4.809 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224721234 CDFDBCLZXHBQQO-OAQYLSRUSA-N 562.947 4.992 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 224820952 BHTAAKDFEIXTJK-QFIPXVFZSA-N 542.529 4.647 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224831373 PPCOKFPTSOJRAZ-HXUWFJFHSA-N 606.116 4.635 0 40 KJAB COC(=O)c1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(OC)ccc1OC 224856996 QXPOHUPYTUPUKW-FTJBHMTQSA-N 514.607 4.853 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)cc1 224964631 AHRPPKPWVYOEOR-SFHVURJKSA-N 604.091 5.000 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 225057477 OGXWFQYMPUAEGH-BJKOFHAPSA-N 521.683 4.522 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 225181372 LZOWVTYUPYADAF-HHHXNRCGSA-N 539.673 4.663 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 225271840 ZEEDAVMIHRONLG-HSZRJFAPSA-N 525.646 4.601 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225273473 LYQCLXXMTAZTGG-HHHXNRCGSA-N 586.154 4.671 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(CC)cc1Br 225381473 UOKQGRFBVNISRB-JOCHJYFZSA-N 505.453 4.733 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 225397882 XMJLRBKKXRMSFC-NDEPHWFRSA-N 611.761 4.550 0 40 KJAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 225425627 IDZZOETXCBEYBP-MHZLTWQESA-N 535.710 4.566 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 225474710 XBVVKPVAHPDOCN-LJQANCHMSA-N 592.943 4.770 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225508585 ANWZTDJJSUVZIN-UFHPHHKVSA-N 595.762 4.930 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 225723004 MRXRUGPTLBXBEK-AREMUKBSSA-N 539.673 4.661 0 40 KJAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)[C@@H]4CCCN(S(=O)(=O)c5ccc(Cl)cc5)C4)cc32)cc1 226077649 HUOKATNFUJMUHE-OAQYLSRUSA-N 554.068 4.591 0 40 KJAB CN1CCN(C(=O)CC2(COc3ccc(F)cc3)CCN(C(=O)C3(c4ccccc4F)CCCC3)CC2)CC1 257282458 OTVJMUCHDPGRAF-UHFFFAOYSA-N 539.667 4.629 0 40 KJAB Cc1cccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(Cl)cc2)c1 260717359 GALJYTLKJHCPBO-HSZRJFAPSA-N 556.128 4.828 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccccc2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 260948325 USLZTQVATRGMOT-SSEXGKCCSA-N 561.748 4.850 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 260973375 MVYJWDJULBUVHB-CPJSRVTESA-N 537.673 4.542 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 261009294 TYUVHESNZFXHTC-VXKWHMMOSA-N 572.127 4.876 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 261049531 ZWIATFBDUPDCJY-SFTDATJTSA-N 552.137 4.535 0 40 KJAB Cc1cc(Br)ccc1NC(=O)CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1 408545105 YQQKDBCHHHSYTP-UHFFFAOYSA-N 536.883 4.555 0 40 KJAB Cc1cc(Br)ccc1NC(=O)c1cc2cc(Cl)ccc2n1NC(=O)C(=O)NCCC(C)C 408607726 NWPXOYINXIBLKS-UHFFFAOYSA-N 519.827 4.850 0 40 KJAB CCCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)cc1 408672035 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CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cc(Cl)c(O)c(OC)c3)c2=O)=N1 409036935 CADPVHXYNJFBIM-YOKWNPFVSA-N 577.486 4.608 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3OC(C)C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409039224 QXSXPPTXFUIVLN-JEYMYLTASA-N 663.576 4.843 0 40 KJAB COc1ccccc1NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 409077279 DACGORGGABRWJU-UHFFFAOYSA-N 523.836 4.941 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)O)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409078652 JAZPGZCLCJNGOJ-ZDGAQAAHSA-N 623.481 4.528 0 40 KJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 409118892 QPOBUVREXKZROH-GOSISDBHSA-N 544.471 4.811 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3ccccc3OC(F)F)c2=O)=N1 409155303 IGDXXBNEQRQKQP-QCHPHUCNSA-N 607.473 4.951 0 40 KJAB CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(Cl)c(C(=O)OC)c2)C1=O 409158673 SADROXURQCNAPX-GIJQJNRQSA-N 509.367 4.854 0 40 KJAB O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)NCCc1ccccc1 409207449 XDMDQPWSCILSJR-UHFFFAOYSA-N 521.864 4.652 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccc(Br)cc2)cc1 409257230 RNFWKEFJZOTDTR-UHFFFAOYSA-N 525.371 4.960 0 40 KJAB Cc1cc(Br)ccc1NC(=O)CSc1nnc(CNC(=O)/C=C/c2ccccc2Cl)n1C 409353213 ZDKHADYRLUYSDV-JXMROGBWSA-N 534.867 4.600 0 40 KJAB CN1C(=O)C(=C(Nc2ccc(F)cc2)SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(=O)N(C)C1=O 409376291 WTDUWTFDXYIKTE-UHFFFAOYSA-N 544.914 4.544 0 40 KJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1S(=O)(=O)Nc1ccccc1 409412175 SOLOHJBFKUPXAY-UHFFFAOYSA-N 521.620 4.849 0 40 KJAB Cc1ccccc1C(=O)N1CCC[C@](COc2cc(C)c(Cl)c(C)c2)(CC(=O)N2CCC(O)CC2)C1 585287520 NPRQCJBWHDYIFP-LJAQVGFWSA-N 513.078 4.940 0 40 KJAB CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2c(c1)nc(CN1CCN(C)CC1)n2C 604404511 IBNHXRKBRQRAPN-BUQILHSASA-N 739.918 4.962 0 40 KJAB biogenic CC[C@H](C)[C@H](NC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O)c1nc2ccccc2[nH]1 604405375 ZRCNYEUVBYMRCT-ZCWUUALQSA-N 505.571 4.670 0 40 KJAB biogenic CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 1372868 BPWWXGWQARZXNE-UHFFFAOYSA-N 500.553 4.606 0 40 KJAB CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O 1374779 VJYRTGCJWHVVHI-LJAQVGFWSA-N 538.652 4.928 0 40 KJAB CCCCc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 2092642 PCAZNNXKBHZKGO-OBDYRVMHSA-N 512.654 4.570 0 40 KJAB biogenic CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C(C)C)cc2)cc1 6601257 MDBVORNGETZVHT-QHCPKHFHSA-N 537.686 4.649 0 40 KJAB COc1ccc(NC(=O)C2(N(Cc3ccc(F)cc3)C(=O)CN3C(=O)C(=O)c4ccccc43)CCCCC2)cc1 8712802 BJWCDLMAOQWBMV-UHFFFAOYSA-N 543.595 4.734 0 40 KJAB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc(Br)c4)cc3)CC2)c1 8903367 HLASOMYWXDXVKU-UHFFFAOYSA-N 524.415 4.681 0 40 KJAB CCOc1ccccc1[C@H](C(=O)NCc1ccccc1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 13028464 BLBWYZQYYBKFPO-GDLZYMKVSA-N 523.593 4.510 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(C)=O)cc1 13032127 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JRFVJVGBGUYZKD-UHFFFAOYSA-N 561.626 4.644 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1 408639266 FKWWVHJPSQOTMP-QWQRAZBHSA-N 581.024 4.852 0 40 KJAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)CC2)cc1 408693238 UVPBEKKDVUBQAY-QFIPXVFZSA-N 519.667 4.667 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408827420 JIBIIEYSBHZBMZ-RPTCSZHISA-N 730.964 4.666 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OC)c(=O)n2[C@H]1c1ccc(OCC)cc1 408907549 BIYSDRDDKIMODP-QPWQWLJXSA-N 575.086 4.996 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O[C@H](C)c4ccccc4)cc3)c(=O)n2[C@H]1c1ccccc1 408970635 JMXWRHDLYUNMAJ-ZLYIPEAKSA-N 524.642 4.938 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)o1 408981015 HFJQGGJYJSQOSW-PIXWUVMMSA-N 555.631 4.842 0 40 KJAB COc1ccc(OC)c(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 409060745 XKNXNQLRWIWWCR-UHFFFAOYSA-N 553.862 4.949 0 40 KJAB COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2\N=C(c3ccc(OC(C)=O)c(OC)c3)OC2=O)cc1 409191073 ZIUONFHIYGLYRR-BKUYFWCQSA-N 566.360 4.955 0 40 KJAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)C1=O 409246679 AGEJRHALVUZIHE-LPYMAVHISA-N 627.435 4.727 0 40 KJAB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 409324188 RLZQMMHDKYFKSW-UHFFFAOYSA-N 562.113 4.739 0 40 KJAB CCc1nccn1CCCOc1cccc(CN2CCOC[C@](COc3cccc(Cl)c3)(OC)C2)c1 585275176 ZAFJLOCXYOVXQM-MUUNZHRXSA-N 514.066 4.864 0 40 KJAB CC(C)[C@@H]1COc2ccc(Cl)cc2C(=O)NCCOc2ccccc2C(=O)N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CCC(=O)N1 643570247 UKEMFKCGKJQKIS-CONSDPRKSA-N 723.242 4.564 0 40 KJAB C[C@@H]1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)[C@H](c1ccccc1OCC(=O)O)CC(=O)O3 1614471090 WGDQYZNWTBNEKJ-UTKZUKDTSA-N 522.550 4.778 0 40 KJAB biogenic CN1CCN(C(=O)CC2(COc3ccccc3)CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)CC1 2037905461 LFXWGGGFANGZPP-UHFFFAOYSA-N 519.617 4.551 0 40 KJAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1C[C@H]1CCCO1 899916 UUMPUPRDYAHISU-GOSISDBHSA-N 506.003 4.601 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(OC)cc2)C(=O)c2cnccn2)cc1 921399 MUSPPWLOTPXRLB-MHZLTWQESA-N 502.615 4.717 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccco1)N(CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O 1376001 YVCYXZKJOILMOT-VWLOTQADSA-N 542.640 4.678 0 40 KJAB CCn1c2ccccc2c2cc(NC(=O)[C@H](CCSC)NC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)ccc21 2095684 YMXFPSAOPVBHIN-CZSZKKDXSA-N 557.720 4.865 0 40 KJAB biogenic O=c1c2cc3c(=O)n(-c4ccc(Cl)cc4Cl)c(=O)c3cc2c(=O)n1-c1ccc(Cl)cc1Cl 3196970 TWYDKNIHZGSQRU-UHFFFAOYSA-N 506.128 4.504 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCN(c4cccc(Cl)c4)CC3)cc2c1 6135259 PMEHRIOMAHGPGN-NDEPHWFRSA-N 540.071 4.690 0 40 KJAB Cc1sc(NC(=O)CN2CCCCCC2)nc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 6173204 YJVSEZMJDBMOBO-UHFFFAOYSA-N 510.685 4.684 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN(c4nc5ccccc5s4)CC3)cc2c1 6198218 SSNKGUJHZHJLBX-AREMUKBSSA-N 540.697 4.713 0 40 KJAB O=C1/C(=C\Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc2C(=O)N1c1ccc(Cl)cn1 6251824 JMGPXUVYDPDGBE-QJOMJCCJSA-N 523.014 4.550 0 40 KJAB COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(=S)Nc3cc(C)cc(C)c3)n(C)n2)cc1OC 8635527 CTGXYBGBBHEYEH-ZTCOLXNVSA-N 519.715 4.886 0 40 KJAB biogenic,in-vitro O=C(CSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1)Nc1ccc(F)cc1 8685170 VMLPLWHFCNSDTF-UHFFFAOYSA-N 519.646 4.970 0 40 KJAB O=C(COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 9601368 LLCIAPUZVAAACO-OAQYLSRUSA-N 500.776 4.870 0 40 KJAB CSc1nnc(-c2ccccc2NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)o1 10434377 OBICJYSZXJQDAX-UHFFFAOYSA-N 507.037 4.929 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3C)[C@H](C(=O)NC(C)(C)C)c3ccc(Cl)cc3)n2)o1 12477246 OAVNNOJXXMEYNG-DEOSSOPVSA-N 521.021 4.893 0 40 KJAB COc1ccc(-c2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)n2C2CCCCC2)cc1OC 14137829 QVGUFZXNOJMQJY-UHFFFAOYSA-N 510.616 4.605 0 40 KJAB CCc1oc2cc(S(=O)(=O)N(C)C)ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 14881085 FEYGJZKVMASWJB-UHFFFAOYSA-N 531.222 4.707 0 40 KJAB in-vivo CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c(Cl)c1 20456322 OSHKYCMSKXJYLY-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1 32125313 CUOLTDGSTANBLJ-UHFFFAOYSA-N 502.640 4.563 0 40 KJAB CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)sc2c1CC[C@@H](C)C2 34701472 JRKJWPDRIXYPKN-SQNIBIBYSA-N 518.701 4.969 0 40 KJAB COc1ccccc1N1CCN(C[C@@H]2C=C(C)[C@H](Cc3nnc(-c4cncn4C)o3)C[C@H]2C(C)C)CC1 35442732 DDZNXRGNJHQXQV-HJOGWXRNSA-N 504.679 4.698 0 40 KJAB biogenic,in-vitro COc1ccc(Br)cc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 59331673 IUZPVQYTIYSAFC-NSHDSACASA-N 524.506 4.896 0 40 KJAB CS(=O)(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4cccc(Cl)c4Cl)o3)cc2)CC1 59331954 QSIZYXBDVGVUKX-ZRDIBKRKSA-N 520.438 4.987 0 40 KJAB Cc1nccn1-c1ccccc1CNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 59852797 IOKYAUQHOMPCHL-UHFFFAOYSA-N 529.449 4.999 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c2ccc(F)cc2)cc1 59882306 QIESZEQIFPUAPY-UHFFFAOYSA-N 553.637 4.769 0 40 KJAB CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)C2)c1 97963910 GBICQJFPHUGOMT-HSZRJFAPSA-N 522.023 4.781 0 40 KJAB O=S(=O)(c1ccc(Cl)c(NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1)N1CCOCC1 97981348 SPTPEGCPZZIHPO-UHFFFAOYSA-N 528.059 4.713 0 40 KJAB O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)Cn1nnc(-c2ccccc2F)n1)c1ccc(F)cc1 100288881 DBKPWXYCQMLTKI-AREMUKBSSA-N 534.542 4.591 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(=O)c4ccccc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 100303295 UNTGIIXZBWUNOZ-XQNWCSQWSA-N 619.095 4.688 0 40 KJAB CCOc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NCc2ccco2)c2ccc(C)cc2)cc1 100413599 SDNXBABNVJMQAJ-MHZLTWQESA-N 531.634 4.869 0 40 KJAB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccc(-c2ccccc2)cc1 100664209 KHJSDOPIQBKNKV-YMKIRKFDSA-N 503.554 4.951 0 40 KJAB O=C(COC(=O)COc1ccc(I)cc1)Nc1cc(C(F)(F)F)ccc1Cl 101355068 AFNVJDBOPFNYAA-UHFFFAOYSA-N 513.637 4.524 0 40 KJAB Cc1ccc(CNC(=O)CCNC(=O)c2nc(SCc3ccccc3Cl)ncc2Br)cc1 101429478 ZEVOZCRZOBSQJY-UHFFFAOYSA-N 533.879 4.930 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCC)c(=O)n2[C@H]1c1ccccc1 105500631 YEULGHGAOWYRFO-JCAJYURWSA-N 606.336 4.722 0 40 KJAB CCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1 108997018 ITHATOTUVIPAAE-FCKOQQNDSA-N 511.043 4.629 0 40 KJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)ccc1C 109261735 BBCWOQPWWXMJNX-UHFFFAOYSA-N 541.695 4.921 0 40 KJAB COc1cccc(N(CCCC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c1 222785923 WVJLQQQXYYUHLS-PMERELPUSA-N 597.753 4.793 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 223002927 CCYINXKJBMEVRW-HSZRJFAPSA-N 539.673 4.663 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223054748 CEWRZANPRSAOMP-FCHUYYIVSA-N 602.153 4.885 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223065895 BXOZYPNZCJIJHS-NRFANRHFSA-N 602.153 4.885 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 223172682 JHGJVNPDXSVDTJ-DEOSSOPVSA-N 548.492 4.742 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCOc1ccc(OC)cc1 223179092 JKLVVZPJMDMEFS-OALUTQOASA-N 505.453 4.949 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223261638 QBKSUROQHANADH-SFHVURJKSA-N 555.311 4.620 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(Cl)cc2)c2ccc(Br)cc2)cc1 223569496 WISIQYBRBYVKKP-UHFFFAOYSA-N 521.864 4.965 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 223692427 ZCBIDCRKEDKSTQ-JOCHJYFZSA-N 542.101 4.706 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc4c5c(cccc35)CC4)Oc3ccc(C)cc32)cc1 224518318 MGQMYXVGLWWCQE-MHZLTWQESA-N 514.603 4.850 0 40 KJAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 224712522 QCRGURUDUSZMMF-HXUWFJFHSA-N 505.489 4.596 0 40 KJAB Cc1c(Cl)cccc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 224770471 SSFXOHAYEQMDPU-IBGZPJMESA-N 554.540 4.934 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc(I)cc1 224775431 NCMZDRGANHZBIX-NDEPHWFRSA-N 659.590 4.756 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 224799105 GFSRMWOAXZQOGR-SFHVURJKSA-N 584.964 4.735 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 224948862 WISYQMYUMYTJIU-LJAQVGFWSA-N 595.737 4.689 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225028611 KQKBTADWCGQWED-JWQCQUIFSA-N 595.762 4.848 0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C)S(=O)(=O)c2ccc(Cl)cc2)cc1C 225033258 UBZHAAKVCCCALY-UHFFFAOYSA-N 516.044 4.704 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 225135449 DXKSSAGVBWLRER-HHHXNRCGSA-N 521.683 4.524 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3nccs3)c2C)cc1 225207746 FTEQGVHUGNEMCD-BJKOFHAPSA-N 518.668 4.708 0 40 KJAB CC(=O)c1cccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 225238680 BJLNYXGJHQTLHO-HKBQPEDESA-N 589.758 4.744 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)cc1C 225277304 BCRDKMVTYYUQLO-SVBPBHIXSA-N 513.623 4.648 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 225378994 MKNREUKPNVTSRP-NDEPHWFRSA-N 570.155 4.971 0 40 KJAB CCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1 225509992 HAWWACJIABEAJX-SFHVURJKSA-N 503.020 4.820 0 40 KJAB Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2c(C)[nH]c(C)c2I)cc1 225564847 VRTGYFKIDRESBH-DHIUTWEWSA-N 559.477 4.941 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 225583233 DZUQYOUHSXCCCO-QFIPXVFZSA-N 539.673 4.525 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](CC)C(=O)N[C@@H](C)CC)S(C)(=O)=O 225677328 WVHBRXZCLGGVIK-AVRDEDQJSA-N 572.555 4.880 0 40 KJAB COc1ccc(C)cc1N(CC(=O)NCc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 225688074 FMTHRJQXJUPSGU-UHFFFAOYSA-N 506.546 4.843 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 225744559 IKJXBAABSCKXIB-MHZLTWQESA-N 500.639 4.803 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 226012825 SIJPVALYMWQFJW-UHFFFAOYSA-N 580.663 4.644 0 40 KJAB O=C1[C@@H]2[C@@H](N=NN2CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)C(=O)N1c1cccc(F)c1 230135150 KWTNRJJQQQYHRL-MKYKQAKUSA-N 546.562 4.650 0 40 KJAB O=C(O)CN(Cc1ccc(F)c(Cl)c1)C(=O)[C@H]1OCC(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccccc1 257294871 QWASOHJEKOVEAA-FTJBHMTQSA-N 545.394 4.715 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)c2ccc(Cl)cc2)cc1OC 260779720 ZYDSXFKDTCGYPV-JOCHJYFZSA-N 602.153 4.803 0 40 KJAB Cc1cc(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)ccc1Br 260846940 CHIAMDZRMNRNJM-HHHXNRCGSA-N 618.569 4.827 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 260849650 DAWXZMJFBXWTOX-JOCHJYFZSA-N 586.552 4.895 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1 260881563 NZLYFFGZUOQQHC-MUUNZHRXSA-N 614.606 4.997 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 260900686 DTGSVRSMLRCYQA-JPYJTQIMSA-N 542.529 4.790 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 261031575 XIDMNSMBOATFDO-RTWAWAEBSA-N 522.111 4.527 0 40 KJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccc1Cl 408616685 HLBAIHNHCSGIAZ-YRNVUSSQSA-N 510.059 4.920 0 40 KJAB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccco4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21 408645747 IAYUSTOIQWINLS-MCCOCYNGSA-N 546.963 4.590 0 40 KJAB Cc1c(Br)ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1C 408661249 BOIIJWGOOYUSCK-UHFFFAOYSA-N 533.419 4.922 0 40 KJAB Cc1c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)ccc(Br)c1Cl 408686458 NDVOREFLFQGUPF-PBFVBANWSA-N 543.801 4.518 0 40 KJAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)S(C)(=O)=O)cc1Cl 408712328 MZXBCLUIZAZTHW-SFHVURJKSA-N 566.101 4.559 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C\c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)c2=O)=N1 408831777 WRNDXYBRTCFRDW-IMUCPKNRSA-N 642.730 4.873 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408869426 DJDKRTFFRYIRRO-IPAKXIGBSA-N 693.572 4.855 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCCC4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409093957 BXAYOVFHTAPQNP-GRVBVBMHSA-N 553.128 4.730 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 409129374 GGLVWNUGPSALIW-HNNXBMFYSA-N 502.438 4.591 0 40 KJAB 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CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 223289737 NVZSGODMWHVJAR-NDEPHWFRSA-N 565.736 4.921 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 223334804 LZHISJBMMZXQPG-QHCPKHFHSA-N 566.482 4.881 0 40 KJAB CCOCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223466455 QIPJASPMLYQVRW-HKBQPEDESA-N 595.737 4.512 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 223892052 LJBSKHKEHHAVBD-QFIPXVFZSA-N 586.552 4.896 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 223896387 MFDVBHOOENJSPU-ZDUSSCGKSA-N 555.311 4.620 0 40 KJAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 224293066 CCBQMJFNMPGHLH-UHFFFAOYSA-N 619.765 4.675 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 224338381 RYDHFPJTBPSLQH-XMMPIXPASA-N 534.122 4.589 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O 224427936 GWNMUFBKVFTTSB-NDEPHWFRSA-N 630.605 4.780 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 224437450 JKHWUIBWHUVEHY-QHCPKHFHSA-N 598.549 4.744 0 40 KJAB CN(C)S(=O)(=O)N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)c1ccc(F)cc1 224510714 PIKKHOQIRANSBA-MHZLTWQESA-N 647.611 4.756 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 224526285 HCBSKSUEDMBZBC-GDLZYMKVSA-N 581.735 4.541 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(CN3CCCC3)c2)c2ccccc2Cl)cc1 224596516 BKDHFGXHLYLPSH-UHFFFAOYSA-N 512.075 4.756 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC(C)C)c2ccccc2)cc1OC 224690929 ZYETULAJSCITNS-NRFANRHFSA-N 632.577 4.604 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 224763356 JTQFUHPLRUGSBB-NRFANRHFSA-N 560.091 4.926 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)cc1C 224771835 VBHPGFBSOZBVKY-PMERELPUSA-N 561.748 4.768 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)c1C 224774036 NGZNHJWWPDPQLC-PMERELPUSA-N 561.748 4.768 0 40 KJAB Cc1cc(N(Cc2ccc(C(=O)NCCc3ccc(F)cc3)cc2)S(C)(=O)=O)ccc1Br 224789736 HOQQCZMTLQUYMR-UHFFFAOYSA-N 519.436 4.835 0 40 KJAB COc1cccc(OCCNC(=O)c2ccc(CN(c3ccc(Br)c(C)c3)S(C)(=O)=O)cc2)c1 224790179 IZQKSENYPYEQCB-UHFFFAOYSA-N 547.471 4.541 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 225072027 NAVGHRSINIMLLE-BJKOFHAPSA-N 641.787 4.557 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 225122177 RDJDSWVGFKSXNS-XMMPIXPASA-N 536.138 4.837 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(Br)cc1 225253224 SCFBZGZYVKOYLX-INIZCTEOSA-N 526.269 4.924 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 225322379 CTAZJRSPPNSQKL-LJAQVGFWSA-N 549.737 4.626 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 225396385 NOHLMNJEPMDOGS-FCHUYYIVSA-N 602.153 4.885 0 40 KJAB CCc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c1ccccc1 225425552 HJIAAULRUNYEDZ-DQEYMECFSA-N 549.737 4.819 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 225447895 KQJWGGRZRLBSAH-QFIPXVFZSA-N 586.552 4.733 0 40 KJAB Cc1ccc(Nc2nn(CC(=O)Nc3ccc(C)c(C)c3)c(N)c2S(=O)(=O)c2ccc(C)cc2)cc1 225528863 AQZVPBZVVZPYDJ-UHFFFAOYSA-N 503.628 4.914 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)c2ccc(F)cc2)cc1 225559858 GYEHZJPJYABQLZ-NRFANRHFSA-N 560.091 4.925 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 225633745 BUGNRPDPVFLOPA-MUUNZHRXSA-N 570.155 4.889 0 40 KJAB COc1ccc(-c2noc(CCC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1OC 225826279 JRZROMAPTVXTGX-UHFFFAOYSA-N 512.610 4.620 0 40 KJAB CCc1cc(Br)cc(CC)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(OC)ccc2OC)C1 226050370 ITAINXFROJFUJJ-SFHVURJKSA-N 539.492 4.631 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)C2CCCCC2)c(C)c1 226070905 AYQGLXYHGZLGDR-UHFFFAOYSA-N 522.671 4.633 0 40 KJAB CNc1nc(-c2ccc(OC)c(NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)c2)cs1 226078825 WRSQRTGPMTWLIX-UHFFFAOYSA-N 536.679 4.733 0 40 KJAB Cc1c(NC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@@H]3C2=O)ccc(Br)c1Cl 226405284 ISGFSWBIYHMBLB-XRSMLWNUSA-N 501.808 4.774 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 260720236 GMGZZYOZHLDFRA-JOCHJYFZSA-N 572.127 4.794 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 260860200 HRUWGDBABVKRDR-HHHXNRCGSA-N 630.605 4.697 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)[C@H](Cc1ccccc1)C(=O)NC(C)C 260895145 SKOCNWDSZIKEAY-GDLZYMKVSA-N 549.737 4.543 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1OC 260929263 VYNTXWVMARXTIT-HSZRJFAPSA-N 599.725 4.536 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 261008405 TUDGLPQOLGPWTJ-VXKWHMMOSA-N 536.138 4.835 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 261016028 VDTKKZQTKJFSJH-RPWUZVMVSA-N 581.735 4.540 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 261075672 QIVHZFLSTGJONC-LXFBAYGMSA-N 600.181 4.978 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)Cc2ccccc2)cc1 408617058 BHZQPJZOUXLDJM-UHFFFAOYSA-N 531.600 4.554 0 40 KJAB CC1=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@H]4CC(=O)N(c5ccc(Br)cc5)C4)cc3C)C(=O)[C@@H]2C1 408639316 FQJLCQZILDBACV-BULFRSBZSA-N 537.410 4.562 0 40 KJAB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccco4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408640760 IRNSKZZNWLRNQY-RBBKRZOGSA-N 546.963 4.734 0 40 KJAB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)ccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408649005 ZBLNZVKDGFRFJZ-ISAJOVNSSA-N 525.388 4.572 0 40 KJAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H](C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1 408683442 IBLGSWZVPMPEMB-QMMMGPOBSA-N 532.163 4.669 0 40 KJAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCC(=O)Nc4cc(Cl)c(Br)cc4C)cc3)C(=O)[C@H]12 408687625 PEWDXQNKDFNJTO-JOXUJNMQSA-N 557.828 4.908 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408735838 YISICNGDHJFUJU-SXDQJOKOSA-N 672.756 4.912 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 408786856 OQEJPAZGQWQRCO-ZBXXMNEPSA-N 560.632 4.558 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)c(O)c(Br)c4)c(=O)n32)cc1 409030811 IAJKJBIETUCLNF-FNUHDPNESA-N 636.362 4.816 0 40 KJAB COCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)c(I)c2)C1=O 409138404 BGLGCYKCCYMJPL-WOJGMQOQSA-N 513.328 4.692 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)o3)c2=O)=N1 409143345 DPFQJRFFZFMIJS-CINCIDGWSA-N 590.727 4.738 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3\C(=O)N(C(C)C)c4ccccc43)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 409146285 SDVDOCKQZXNXNU-WPRNYWBVSA-N 614.123 4.723 0 40 KJAB CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2CC)cc1 409153397 HWUQUHDFFUUANB-QGZVFWFLSA-N 516.067 4.637 0 40 KJAB COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 409190692 PWVMGNDAOUYUPY-NDENLUEZSA-N 503.507 4.593 0 40 KJAB COC(C)(C)C(=O)N1CCCCOc2ccc(Cl)cc2C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)CCCC1 643559034 JEDDMLPWKVVPRA-SANMLTNESA-N 572.146 4.688 0 40 KJAB COc1cccc(-c2cc(C(=O)N3CCC4(CCCCc5ccccc5OC[C@H](C)NC4=O)CC3)no2)c1 643562793 QIGYGNXLLLXRAR-NRFANRHFSA-N 517.626 4.883 0 40 KJAB COc1ccccc1CCC(=O)N1C[C@H]2OCCCCCCCCN(C)C(=O)c3ccccc3O[C@@H]2C1 643582195 OAYHCXXAEHEVJT-VSGBNLITSA-N 508.659 4.729 0 40 KJAB Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c(Br)c1 673710 MNQACAPAZLSLBQ-UHFFFAOYSA-N 501.402 4.526 0 40 KJAB Cc1cc(OCC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)O)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 2119951 TWOWGBQVULIYBL-HSZRJFAPSA-N 519.981 4.845 0 40 KJAB biogenic Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccccc3Br)nc(C)n2)cc1 8623156 IXPIQDLWSLPGRG-MZKRTTBSSA-N 541.515 4.679 0 40 KJAB biogenic,in-vitro O=C(O)[C@H]1CCCC[C@H]1C(=O)N(CCN(C(=O)[C@H]1CCCC[C@H]1C(=O)O)c1ccccc1)c1ccccc1 8874010 KDCQIZLSYMBHQG-FATVKVNYSA-N 520.626 4.835 0 40 KJAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(-c4nc5ccccc5s4)s3)c2C(N)=O)C1 9383355 FGHRLGUFMGHJKV-UHFFFAOYSA-N 512.638 4.952 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)c(Cl)c1 13023766 LXZICUICFWQNMD-XMMPIXPASA-N 508.985 4.698 0 40 KJAB Cc1ccc(C)c(-n2c(SCC(=O)N3C[C@H](C)O[C@H](C)C3)nc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 15978344 XQPWSQVYVUDCBN-QRQLOZEOSA-N 511.713 4.917 0 40 KJAB Cc1cc(Br)cc2c1NC(=O)/C2=C\NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 16282046 IHLRDMMIAVJLLB-KBAIHJINSA-N 502.368 4.638 0 40 KJAB COc1ccc([C@H](CC(=O)Nc2ccccc2Br)N(C)S(=O)(=O)c2ccccc2)cc1 19935951 LXPUANCHAZDQQY-QFIPXVFZSA-N 503.418 4.848 0 40 KJAB Cc1ccc(C)c(N2CCN([C@@H](c3cc4ccc(C)cc4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)c1 19941475 CJQWESGUTMOWPN-NDEPHWFRSA-N 511.674 4.857 0 40 KJAB Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc12 20079474 AIEYMIYYUBVRGL-HHHXNRCGSA-N 503.695 4.676 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN(Cc4ccc(Cl)cc4)CC3)cc2c1 20082520 RAKXRMNRHHHBGB-HHHXNRCGSA-N 532.092 4.753 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4ccccc4s3)[C@H]2c2ccccc2)cc1 20368241 BFXXCKVBNORCNS-XMMPIXPASA-N 509.678 4.929 0 40 KJAB CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc(Br)cc(Br)c2OC)cc1 22839632 PODSOZDPIHUFIK-UHFFFAOYSA-N 515.227 4.696 0 40 KJAB COc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4cccc5ccccc45)cc3)CC2)cc1 40717949 GOIOQYRWJLBWNT-UHFFFAOYSA-N 524.646 4.938 0 40 KJAB COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 59331960 CGQYSVAMXJQFRB-UHFFFAOYSA-N 517.649 4.878 0 40 KJAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)c2cccc(Br)c2)cc1C 59834363 RMNCKPQCCIIFAH-FDDCHVKYSA-N 531.472 4.533 0 40 KJAB Cc1ccc(CNC(=O)C2CCN(c3nc4ccsc4c(=O)n3Cc3ccc(F)cc3)CC2)cc1C 65532189 QLLWKWGDANFWBN-UHFFFAOYSA-N 504.631 4.795 0 40 KJAB CCOC(=O)c1ccc(NC(=O)COc2c(Br)cc([C@H]3NC(=O)NC(C)=C3C(=O)OC(C)(C)C)cc2OC)cc1 97959919 DQSGBJXVPNNMFV-HSZRJFAPSA-N 618.481 4.622 0 40 KJAB COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)sc2c1CC(C)(C)NC2(C)C 97963583 NFQAEJZPHGZELT-IRXDYDNUSA-N 547.743 4.613 0 40 KJAB C[C@@H]1CCc2c(sc3ncn4c(SCC(=O)Nc5ccc(S(=O)(=O)NCc6ccccc6)cc5)nnc4c23)C1 100344599 PGBFICMWWJCMOC-QGZVFWFLSA-N 578.745 4.673 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(Br)cc2)cc1 101333648 UAOHUPLDQJJOKX-JOCHJYFZSA-N 536.382 4.622 0 40 KJAB CCS(=O)(=O)Nc1ccccc1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](c2ccc(F)cc2)C1 101491088 XVPSLXVKAHYOEU-QHCPKHFHSA-N 522.023 4.781 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(OC)cc4)c4sc(=S)[nH]c4S[C@H]3C2=O)cc1 102404718 PWMUKQAOIMUUIX-ZHALLVOQSA-N 512.634 4.787 0 40 KJAB COc1ccc(CCNC(=O)CCCn2c(SCc3ccc(F)cc3)nc3cc4c(cc3c2=O)OCO4)cc1OC 102755651 GCCUDGDKNSAPGA-UHFFFAOYSA-N 579.650 4.713 0 40 KJAB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(Br)ccc3Cl)cc2)CC1 105351451 KMODFVHZEIYSSV-UHFFFAOYSA-N 537.911 4.924 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCSc3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 108450342 RLMIIATXHHPFFJ-DFBJGRDBSA-N 591.730 4.572 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 150452247 ZUJYXMGTKONGMF-MFCBUNOESA-N 637.508 4.755 0 40 KJAB COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 216001224 CAECEMGRAOXDOB-RUZDIDTESA-N 586.707 4.829 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 222438368 JTVYJXIWFSDBKP-LJAQVGFWSA-N 565.736 4.672 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](CC)C(=O)NC(C)C)S(C)(=O)=O)cc1 222599265 GDQTWQITUQUQIU-VWLOTQADSA-N 536.138 4.781 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1cc(C)ccc1C 222630216 DHNQQBRUBIXNQM-DEOSSOPVSA-N 509.444 4.831 0 40 KJAB CCc1ccc(OCC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NC)cc1 222680102 IOFVYRDGBZFGJY-VWLOTQADSA-N 509.444 4.776 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c1 222724699 DITGOEKONLCNKA-LJAQVGFWSA-N 567.727 4.621 0 40 KJAB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 222755108 COUGREKNOVRHKH-IBGZPJMESA-N 578.518 4.669 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 222826358 CKKTVLLYCYLLDN-MHZLTWQESA-N 663.578 4.827 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 222972241 HGOOGBHEGSYMKK-JOCHJYFZSA-N 633.552 4.820 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 223108229 XABQUQSQZYCKKV-DNQXCXABSA-N 613.752 4.987 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 223214662 NTFKNBFJKJYRFF-DEOSSOPVSA-N 515.720 4.607 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O 223742390 MIXDFEAGXJTQGM-HHHXNRCGSA-N 529.747 4.827 0 40 KJAB Cc1ccc(OCCNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 223833941 QTDPTDQKLOEGIZ-UHFFFAOYSA-N 501.048 4.964 0 40 KJAB Cc1cc(C)cc(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 224273952 DPWRCGIRVGTVJJ-QFIPXVFZSA-N 536.138 4.693 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 224357569 YXWKWEJMWMAZCQ-RUZDIDTESA-N 590.515 4.727 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 224441963 ADOVVYKCKVJOSE-MHZLTWQESA-N 658.615 4.543 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 224598150 HIXGVSSUPBNMOG-LJAQVGFWSA-N 565.736 4.779 0 40 KJAB Cc1cc(N(Cc2ccc(C(=O)NCCOCc3ccccc3)cc2)S(C)(=O)=O)ccc1Br 224790031 AFQKEFGREAGXJF-UHFFFAOYSA-N 531.472 4.670 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccccc1C)S(C)(=O)=O)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 224798379 WPZUKCPNUDHIRU-PMERELPUSA-N 561.748 4.768 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 224859064 RQZONSYLAZQIDW-IBGZPJMESA-N 584.566 4.943 0 40 KJAB CCn1c(=O)sc2cc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)CC3)ccc21 225100025 CNBUWRQLIDNMCF-UHFFFAOYSA-N 528.483 4.570 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 225202640 NYSCEJCGKSUFOM-NHCUHLMSSA-N 522.111 4.527 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 225323476 YYIAYVICTBKEJW-HZPDHXFCSA-N 593.371 4.854 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225405905 GUDCJXLJYIMWGU-GDLZYMKVSA-N 641.787 4.640 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 225580337 OOROHEGUMUXBNE-JYFHCDHNSA-N 515.720 4.572 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 225647636 QRRTVRRHEKFDBO-IBGZPJMESA-N 542.529 4.790 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 225673241 MVKJWWRLIHNLAS-IBGZPJMESA-N 542.529 4.729 0 40 KJAB Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1 226403115 OWCWMOYRZUFRIP-BLMBAYPTSA-N 509.389 4.595 0 40 KJAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCC(COc2cccc(Cl)c2)(CC(=O)N2CCCCC2)CC1 257265113 LXJNLHIOJAHATN-UHFFFAOYSA-N 526.987 4.646 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)c1 260761396 UAWZNRPXWNFVAW-RUZDIDTESA-N 535.710 4.749 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)C)c1 260774453 XJEHYKZTABYIBF-JOCHJYFZSA-N 586.552 4.895 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1Cl 260895172 SLSQPDKRUQEIGR-AREMUKBSSA-N 606.572 4.933 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)cc1 260902234 OOZXJIILMNOJOO-HSZRJFAPSA-N 569.699 4.528 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@H](CC)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1 260926804 VHMAUEDEQMNOSQ-SSEXGKCCSA-N 595.762 4.869 0 40 KJAB Cc1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 260943961 DOLCROFWXNQGCJ-SSEXGKCCSA-N 561.748 4.623 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 260958028 KSFCPOKLSFMNSA-XMMPIXPASA-N 565.736 4.839 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 260971978 MOJAXRZXVAHGRW-BVAGGSTKSA-N 515.720 4.572 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 261007360 SXQQRLSMQDBXIP-NLFFAJNJSA-N 544.117 4.981 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 261012156 UOSYCZOHAZAOIS-WNCULLNHSA-N 529.747 4.826 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 261090283 TYSRBCNZLHUPMO-CVEARBPZSA-N 566.017 4.596 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3O)n2)sc(C)c1C 408544315 GDKLSLVHKJLEPH-UHFFFAOYSA-N 511.423 4.526 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1NC(=O)c1cccc(Cl)c1 408562398 ZLLKFHCPWHUEMF-UHFFFAOYSA-N 530.046 4.511 0 40 KJAB CCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2Cl)cc2cc(Br)ccc21 408574185 FSGATPUEXRCXPD-UHFFFAOYSA-N 512.191 4.559 0 40 KJAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1S(=O)(=O)Nc1cccc(C)c1C 408617432 GLWMUCNTSPGNER-JOCHJYFZSA-N 521.639 4.574 0 40 KJAB COc1cc(OC)cc(-c2nc(S/C(=C\c3cc(Cl)cc(I)c3O)C(=O)O)n[nH]2)c1 408633727 OVARSXQVJXCLCO-UUASQNMZSA-N 559.769 4.670 0 40 KJAB CC(C)OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2)cc1 408665644 VFLWIZHHGGUJJX-UHFFFAOYSA-N 525.783 4.568 0 40 KJAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3)CC2)c1 408681800 ZJIPSHROZGMMCK-UHFFFAOYSA-N 555.722 4.593 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(OC)c(C(=O)N4CCC(C)CC4)c3)cc2)cc1 408705977 RVNYXCPCTLWBAY-UHFFFAOYSA-N 587.720 4.568 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 408729933 LATBCKHLJMEAEB-RISWYLRJSA-N 609.498 4.838 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5ccc(Cl)cc5)o4)c(=O)n32)cc1OCC 408933422 JMERUDQVGTVZKJ-MLGNGQMDSA-N 565.047 4.729 0 40 KJAB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3c(C)[nH]c4ccccc34)c(=O)n21 408956445 RMAIZIACKRGKSO-PLQXQRLBSA-N 580.504 4.748 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 409023387 TXVJEGAVZJIORX-UHFFFAOYSA-N 543.645 4.768 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccc(Br)cc23)C1=O)c1ccc(Cl)cc1 409147916 WNYQZCYBPQLXAP-KSEXSDGBSA-N 602.894 4.835 0 40 KJAB CC(C)c1ccc(OCC(=O)NCc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)n2C)cc1 409154336 NPGMEHFQHJIJEM-UHFFFAOYSA-N 522.458 4.671 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C/c3ccc(N4CCC(C)CC4)o3)c2=O)=N1 409274330 VYMXJLWJELUDGU-CVMWMZFYSA-N 544.702 4.765 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(Cl)c(Cl)c3)n2C)cc1 409348269 OLFFDBAWAIIYOY-ZDUSSCGKSA-N 536.441 4.520 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 2174147 LYLQXTBUDQXKAG-VFHYMGCCSA-N 579.049 4.745 0 40 KJAB O=C(NC(=S)Nc1ccc(I)cn1)c1cccc2c(Br)cccc12 2251279 CPDGPWRBSBCMIY-UHFFFAOYSA-N 512.170 4.729 0 40 KJAB COC(=O)c1ccc(-c2sc3nc(N4CCOCC4)c4c(c3c2NC(=O)c2ccco2)CC(C)(C)OC4)o1 2265994 OBQIMHQHQBLEIC-UHFFFAOYSA-N 537.594 4.876 0 40 KJAB COc1ccc(CNC(=O)CCCn2c(SCc3cccc(F)c3)nc3cc4c(cc3c2=O)OCO4)cc1 2975605 YYKWMMQBGDYONY-UHFFFAOYSA-N 535.597 4.662 0 40 KJAB COc1ccc(OC)c(NC(=O)c2cnn3c2N[C@H](c2ccc(OC)c(OC)c2)C[C@H]3C(F)(F)F)c1 3012545 VYVPTQQBYBPDFM-KKSFZXQISA-N 506.481 4.830 0 40 KJAB COc1ccc(NCc2nnc(SCC(=O)Nc3cccc(C(C)=O)c3)n2-c2ccc(OC)cc2)cc1 6074246 LKEDZPGAGITZIR-UHFFFAOYSA-N 517.611 4.830 0 40 KJAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CO/N=C1\C=C2CC[C@@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 8762140 SEORXHZLSXQMQN-IVMHMKJVSA-N 522.686 4.583 0 40 KJAB biogenic CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2Cc2ccc(F)cc2)cc1 8970537 USANELVXOZISRY-DEOSSOPVSA-N 519.598 4.529 0 40 KJAB COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2-c2cccc(Cl)c2)cc1 9368993 HLWCDHVGZRHDRQ-UHFFFAOYSA-N 522.030 4.899 0 40 KJAB CCOc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)N(CC)Cc3ccccc3)c2=O)CCCCC4)cc1 9615565 IIAMGOOXTWRBEA-UHFFFAOYSA-N 531.678 4.930 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(C)cc1)N(C(=O)CNC(=O)c1cccs1)c1ccc(OC)cc1 12488997 NBLMWOQKBOQHOK-VWLOTQADSA-N 507.656 4.874 0 40 KJAB Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c1 12702433 NPQGUNPDNDNRQK-JOCHJYFZSA-N 526.062 4.541 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)c(C)c1 13649542 SGGIVLQMYMYIML-UHFFFAOYSA-N 517.003 4.668 0 40 KJAB COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1 20020878 DISGOASOVHBBCZ-INIZCTEOSA-N 519.417 4.515 0 40 KJAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2cccc(OC(C)C)c2)CC1 21577541 LVXKEKMPPCUKMQ-UHFFFAOYSA-N 503.068 4.703 0 40 KJAB COc1cc([C@H]2CC(=O)N(CC(=O)Nc3ccc(NC(C)=O)cc3)c3ccccc3S2)cc(OC)c1OC 60180227 JJRIRGYCTDOLCF-RUZDIDTESA-N 535.622 4.880 0 40 KJAB O=C(NCc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1cccc(Cl)c1)c1cccc(F)c1 97961527 PBKPSNOZGSNCDY-UHFFFAOYSA-N 522.005 4.671 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 97962662 FVFXFYWENWGMCU-MFUBYVTQSA-N 566.994 4.549 0 40 KJAB O=C(COc1ccccc1)Nc1ccc(-c2ccc(NC(=O)COc3ccccc3)c(C(=O)O)c2)cc1C(=O)O 98045549 DGGGSPQAFMVZAF-UHFFFAOYSA-N 540.528 4.785 0 40 KJAB CCOc1ccccc1[C@@H](C(=O)NCc1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(OC)c1 100363252 PHRCLTVSSOBOPQ-HKBQPEDESA-N 549.631 4.930 0 40 KJAB CCc1cc(I)ccc1NC(=S)NC(=O)c1ccc(OC)c(Br)c1 100379620 GFLGEGATSDKIOG-UHFFFAOYSA-N 519.202 4.752 0 40 KJAB O=C(NC(=S)Nc1ccc2oc(-c3cccc(I)c3)nc2c1)c1ccc2c(c1)OCO2 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CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 224323002 NRBPWCIKQKRBGA-GDLZYMKVSA-N 567.727 4.847 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 224478471 BUZKRMNLSQWYIX-HSZRJFAPSA-N 598.549 4.744 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 224525100 NFZNPALVHFYUNZ-MUUNZHRXSA-N 565.736 4.705 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 224699455 ZPJJGAPFPLTFNM-XMMPIXPASA-N 558.091 4.744 0 40 KJAB COC(=O)c1cc2cc(NC(=O)c3ccc(OC)c(CN(C)S(=O)(=O)c4ccccc4)c3)ccc2s1 224775635 HYBLWMZDZBTSQC-UHFFFAOYSA-N 524.620 4.770 0 40 KJAB CCCc1ccc(OCCNC(=O)c2ccc(CN(c3ccc(F)cc3F)S(C)(=O)=O)cc2)cc1 224815022 XVWVFCFOBXAYAZ-UHFFFAOYSA-N 502.583 4.692 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224992557 LHNWBFWMKVYZIH-DEOSSOPVSA-N 565.711 4.930 0 40 KJAB 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CCOc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 225499270 QSVKRXROBBYVEX-DEOSSOPVSA-N 551.709 4.531 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 225527012 CSJUPTTWUAIJKN-PMERELPUSA-N 573.690 4.716 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 225542561 GZKXNBMIGBRGLO-HNNXBMFYSA-N 568.445 4.720 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NC(C)C)c2ccc(C)cc2)cc1 225673234 KUYFAHGKLUZUKN-DEOSSOPVSA-N 581.735 4.540 0 40 KJAB CCOc1ccc([C@@H]2[C@H](C(=O)OCc3ccccc3)C(=O)C[C@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1 253571795 PKGQHCDCUTXKAE-WIXZECKYSA-N 516.590 4.612 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC(C)(C)C)c2cccc(Cl)c2)cc1 260755871 DPTSBEOEBZVMNH-OAQYLSRUSA-N 602.153 4.885 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1 260797812 NWOSUXGFQOMKRH-QGZVFWFLSA-N 590.064 4.610 0 40 KJAB 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CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC(C)=O)c(Br)c4)c(=O)n32)cc1 408855244 DUFNNJZIUKUFNK-ASZNLBCTSA-N 632.536 4.960 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1OCc1ccc(C(=O)O)cc1 408966419 MRBOJOGLJYBAMD-OYKKKHCWSA-N 532.574 4.956 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 409022648 FFIZMYZNLVDREX-VFDXUGBFSA-N 620.731 4.713 0 40 KJAB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)NCc4ccco4)c4ccc(Br)cc34)NC2=S)cc1 409142835 BONDYRSHDGUVGQ-FMCGGJTJSA-N 579.476 4.974 0 40 KJAB CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccc(Br)c(C)c3)n2CC)cc1 409164478 JCWVNDOPUPHCKJ-KRWDZBQOSA-N 560.518 4.746 0 40 KJAB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N1CCC(Cc2ccccc2)CC1 409171752 GNFBOQXEHJZDFN-UHFFFAOYSA-N 574.484 4.968 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3cn(CC(=O)N4CCCC4)c4ccccc34)c2=O)=N1 409174171 SPODRVBHFVIGQU-PSAPEEBNSA-N 691.648 4.927 0 40 KJAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 409174233 UDKIALBSYKENQI-UHFFFAOYSA-N 632.091 4.885 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2)C1=O)Nc1ccccc1N1CCOCC1 409203978 AMQFKHHOOBVBPA-NLRVBDNBSA-N 529.618 4.777 0 40 KJAB COc1cc([C@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4c3c2cn4CCC(C)C)cc2c1OCCO2 524731172 MJQQHUVVJUXRME-RUZDIDTESA-N 501.583 4.667 0 40 KJAB biogenic Cc1ccc(Cl)c(OCC2(O)CCN(Cc3ccc(OCCCN4CCCCC4=O)cc3)CC2)c1 585281271 YAALHJWTXWCKJA-UHFFFAOYSA-N 501.067 4.836 0 40 KJAB COc1cccc(-n2nnc(C(=O)N3CCN(Cc4ccccc4)CCCN(C(C)=O)c4cc(F)c(F)cc4C3)c2C)c1 643554119 LMDIYQABCYIBJJ-UHFFFAOYSA-N 588.659 4.764 0 40 KJAB CN1CCCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643562505 XTNQXQKVFKVRQE-GGAORHGYSA-N 510.578 4.952 0 40 KJAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)cc3Br)cc2)c1C 729771 OAFNRFKOIYTYCH-UHFFFAOYSA-N 559.236 4.635 0 40 KJAB COCCCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2sc(-c3ccccc3)cc2c1=O 2656515 KEQVZDIOAFLOAQ-UHFFFAOYSA-N 523.636 4.679 0 40 KJAB CC[C@@H](Sc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1OC 2976274 CBDRMXNFPOTYAO-MUUNZHRXSA-N 588.686 4.528 0 40 KJAB O=C(O)/C=C/C(=O)Nc1ccc(-c2cc(-c3ccc(NC(=O)/C=C/C(=O)O)cc3)nc(-c3ccccc3)n2)cc1 3142765 WFNZHDWWGUDTLB-YXLFCKQPSA-N 534.528 4.636 0 40 KJAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1 3372647 HPKWMIMVSAVQQP-SANMLTNESA-N 534.590 4.612 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N(Cc3ccco3)Cc3ccccc3Cl)cc2c1 6198003 VAGNXQMBHCRFLK-SANMLTNESA-N 533.032 4.762 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC3CCCCC3)c3cccs3)n2)cc1 7060929 XUGOOULYMLPEEG-VWLOTQADSA-N 550.710 4.691 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cc3c(cc2C(C)=O)OCO3)cc1 13026589 SYIPJAUHDDFHJR-SANMLTNESA-N 504.539 4.666 0 40 KJAB COc1ccc(OC)c([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)c1 13029876 IUMGFXBBCPBTDR-GDLZYMKVSA-N 527.625 4.590 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(F)(F)F)c1 13031861 ZGEQDEBPTRLAEA-DEOSSOPVSA-N 526.563 4.868 0 40 KJAB Cc1ccc(C(=O)CSc2nnc3n(CC(C)C)c(=O)c4ccc(C(=O)NC5CCCC5)cc4n23)cc1 32986182 ZARMRJPPWKHHGA-UHFFFAOYSA-N 517.655 4.656 0 40 KJAB COc1ccccc1Oc1c(O)nc(-c2ncccn2)nc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 60297810 REEANFGHAAWSIZ-UHFFFAOYSA-N 507.572 4.538 0 40 KJAB COc1ccc(CN(C2=NS(=O)(=O)c3ccccc32)c2ccc(OC(=O)COc3ccccc3)cc2)cc1 97971306 LBFHUBGOGBHYBA-UHFFFAOYSA-N 528.586 4.835 0 40 KJAB CCCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2NC(=O)c2cccc(OC)c2)cc1 97995811 GPCCPVPSRAHYKI-XMMPIXPASA-N 595.077 4.591 0 40 KJAB CC(C)c1ccc(C(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)O)cc1 100007744 IDNUAJBBVWWNBA-UHFFFAOYSA-N 594.212 4.844 0 40 KJAB COc1ccc(-c2nn([C@H]3CCS(=O)(=O)C3)c3c2[C@@H](c2ccccc2)N(CCc2ccc(OC)c(OC)c2)C3=O)cc1 101421307 ZEJSEHRRHMPIBB-QABMSTFYSA-N 587.698 4.723 0 40 KJAB Cc1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)c(-n2nc3ccccc3n2)c1 102139445 YXMCEQJRWOGRGS-PYMIQOSHSA-N 516.557 4.506 0 40 KJAB C[C@@H]1C[C@@H](C(=O)Oc2ccc([C@@H]3[C@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C(=O)[C@H]4ON3c3ccccc3)cc2)N(C)N1 102754626 PJAHPKZIAHIBAP-UUYWAIKUSA-N 581.456 4.547 0 40 KJAB COc1ccc(-c2cc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)c3ccccc3n2)cc1 103013723 BWWUOZKCQNMUHH-UHFFFAOYSA-N 538.025 4.837 0 40 KJAB CCc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)N4N=C(c5ccc(Br)cc5)C[C@@H]4c4ccccc4)[C@@H]3C2=O)cc1 103152322 ZVDPUOPDUMAJCJ-STXQHDJLSA-N 585.462 4.683 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(COc4ccc(F)c(Cl)c4)o3)c(=O)n2[C@H]1c1ccccc1 103253409 BMPBANDWKJQNPC-ZDGAQAAHSA-N 553.011 4.763 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4c(C)cc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)c(OC)c1 103528762 RGOIEQIXJJUYKS-JHPWSJGBSA-N 558.034 4.680 0 40 KJAB COCCn1ccc2c(NC(=O)[C@H](C)Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)cccc21 108450094 JBAMTORBTMIFCH-DCFHFQCYSA-N 628.726 4.903 0 40 KJAB biogenic Cc1ccc(C(=O)COC(=O)c2cccnc2SCC(=O)Nc2ccc(C(F)(F)F)cn2)c(C)c1 215713784 PCZWTXWMNOEBTP-UHFFFAOYSA-N 503.502 4.883 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 222546322 UDXGKIPBQTVSSE-QFIPXVFZSA-N 542.101 4.624 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 222564803 ZRPGJZVAPPRZNF-LJAQVGFWSA-N 563.764 4.790 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1cc(C)cc(C)c1 222675597 XLCAZZVSNILRRC-RUZDIDTESA-N 509.444 4.831 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 222738853 MFBRWMTUNTTWMV-LJQANCHMSA-N 578.518 4.669 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 222857105 VDVKIMTVZWEGPZ-NDEPHWFRSA-N 647.611 4.613 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 223101663 HBUGFSXJKDVKPB-RUZDIDTESA-N 565.736 4.841 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 223257279 KMFXJACLERICIQ-QFIPXVFZSA-N 555.672 4.718 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 223394975 HGKBHOGBESFMPO-RUZDIDTESA-N 578.518 4.751 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 223473695 COFIFKHIQHXYAQ-RUZDIDTESA-N 565.736 4.841 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 223647886 MRFUDPLTVHAPPD-NDEPHWFRSA-N 581.735 4.976 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1C 223777957 BEOHTYAXBJUUIB-DEOSSOPVSA-N 527.731 4.634 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223781615 OOVKPCNPIUGMOB-WXVAWEFUSA-N 600.579 4.770 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 224014943 HOMVAKXJJXMSFW-LJAQVGFWSA-N 549.737 4.708 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1OC 224225723 NOOKIDPJYCIBCY-NRFANRHFSA-N 620.143 4.881 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 224272860 UIPJZRLDSLJSLL-IBGZPJMESA-N 542.529 4.729 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224649793 WNTBBNWBJZDNJZ-MUUNZHRXSA-N 595.762 4.787 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 224722713 MDFIEQTXFGZCTG-IBGZPJMESA-N 582.536 4.611 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1C 224732810 LEMZQNUZLJKKJA-NRFANRHFSA-N 566.562 4.554 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 224817958 MITFRWKGFLNZEJ-HXUWFJFHSA-N 546.064 4.618 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 224830166 ATPZAHNQDJSQHF-JOCHJYFZSA-N 572.127 4.796 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 224864853 TVPNSNCGQXJFCC-INIZCTEOSA-N 576.493 4.904 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(N4CCCCC4)cc3)Oc3cc(C)ccc32)cc1 224968378 WKBLLIGSGWWCBR-MHZLTWQESA-N 521.639 4.589 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 225028544 CYEKPFWBHOOHOV-AREMUKBSSA-N 527.731 4.832 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 225110422 PSWUSAOVCATDEN-GDLZYMKVSA-N 565.736 4.841 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 225274013 OVCOIHPJGOLFPX-GDLZYMKVSA-N 549.737 4.626 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 225302346 WZVBELTWDISGKP-QHCPKHFHSA-N 542.529 4.873 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 225335729 UYBORPMAZLMUMG-AREMUKBSSA-N 564.148 4.679 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O 225337089 UANQEVKRVGLNCT-IRXDYDNUSA-N 518.441 4.702 0 40 KJAB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cc2)ccc1NS(C)(=O)=O 225433217 VNRHHRZFSBROAQ-CLJLJLNGSA-N 533.679 4.738 0 40 KJAB COc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3CCc3ccccc3)n2)c(OC)c1 225532069 KQVUWEFPPBLDGA-UHFFFAOYSA-N 500.580 4.999 0 40 KJAB COc1ccc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 225555303 KHGWLMKHIVSHOB-UHFFFAOYSA-N 522.545 4.543 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 225625208 WMYUZMSIYHWNOD-KRWDZBQOSA-N 546.492 4.621 0 40 KJAB O=C(C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2)CC[C@@H]1Oc1cccc(Cl)c1)N1CCCCC1 257251426 JQSCXZKFFBODNJ-MBSDFSHPSA-N 511.471 4.854 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 260896436 DKESVTULNPMVEI-BWKNWUBXSA-N 536.138 4.917 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc(N4CCCCC4)cc3)Oc3ccc(C)cc32)cc1 260897260 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Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)Nc4cccc(Cl)c4Cl)cc3)C2)cc1 409160641 VIBCKOVMJSUACW-IBGZPJMESA-N 526.420 4.989 0 40 KJAB O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 409189048 HXEKJDJHGCUTPH-UHFFFAOYSA-N 526.920 4.964 0 40 KJAB O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccc2c(c1)OCO2 409258461 UDRSGABOSXHTAD-UHFFFAOYSA-N 526.920 4.599 0 40 KJAB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OC(C)=O)c(OC)c3)C2=O)ccc1Cl 409269243 AAQAPWNWIGBMSO-UUYOSTAYSA-N 561.012 4.906 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 409355160 JKWPANUZBUUEDS-LBPRGKRZSA-N 522.414 4.525 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(Cc4ccccc4Cl)c4ccccc43)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409388536 MFJLAHZCHHSXES-QPNXRCJGSA-N 657.192 4.691 0 40 KJAB CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CCO2)C1=O 643555732 BCCUSONWNZJWKG-MUUNZHRXSA-N 510.034 4.686 0 40 KJAB CC[C@@H](C(=O)NCc1ccccc1)N(C(=O)Cn1nnc(-c2cccs2)n1)c1ccccc1C(F)(F)F 887516 HPYBMEJRKTYPPR-IBGZPJMESA-N 528.560 4.549 0 40 KJAB COc1ccc(CN(C(=O)[C@H]2COc3ccccc3O2)[C@H](C(=O)NC2CCCCC2)c2ccco2)cc1 931068 APPHFDUWRNSKFH-SXOMAYOGSA-N 504.583 4.647 0 40 KJAB COc1cc(OC)cc(N(C(=O)[C@H]2COc3ccccc3O2)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)o2)c1 931085 IJMFFOFWQHXGAR-VSGBNLITSA-N 534.609 4.968 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2cccc(NC(=O)c3ccc(OC)cc3)c2)c1 1059856 UHGITOVSLHTVOV-UHFFFAOYSA-N 517.003 4.851 0 40 KJAB CCCc1cc(=O)n2c(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)c(C(=O)Nc3ccccc3)sc2n1 1320828 UAQQWTHUAKQNCS-UHFFFAOYSA-N 518.595 4.778 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc(N(C)C)cc2)c2cccs2)cc1 1412459 NOTBDWHNDMNTRH-GDLZYMKVSA-N 554.676 4.976 0 40 KJAB COc1ccc(NC(=O)[C@H](c2ccccc2)N(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)c(OC)c1 1419101 TVSQLPSYVYBZMS-PMERELPUSA-N 553.594 4.996 0 40 KJAB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(N6CCCCC6)o5)c(=O)n42)c2ccccc2CC3)cc1OC 1868826 MZNIQJORWNYDBX-CLNXTWJPSA-N 553.684 4.919 0 40 KJAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)/C=C/c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3Cl)ccc21 3373917 ORNCEFZZMZRVCU-JARZOMNASA-N 555.056 4.527 0 40 KJAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCCc4ccccc43)cc2c1 6134194 QMXTVOPCSHGPQA-HHHXNRCGSA-N 510.573 4.643 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@@H]1c1ccc(OC)cc1 8399736 PMXWILRXOXRDEL-NAENUDGNSA-N 581.513 4.768 0 40 KJAB COc1ccc(C(C2C(=O)CC(c3ccccc3)CC2=O)C2C(=O)CC(c3ccccc3)CC2=O)cc1CO 8742437 KERHKBMTHWVWBB-UHFFFAOYSA-N 524.613 4.935 0 40 KJAB Fc1ccc(Cn2nnnc2[C@H](c2ccc(F)cc2)N2CCN(c3nc4ccccc4s3)CC2)cc1 13496315 FXUXKYVUBLGXLG-DEOSSOPVSA-N 503.582 4.521 0 40 KJAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2ccccc2)CC1 16043556 LPXSBVYTIRCAPY-UHFFFAOYSA-N 519.648 4.634 0 40 KJAB CCCOc1cccc([C@@H]2C(S(=O)(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)c1 19897776 WJTVCNXDEZIWHW-JOCHJYFZSA-N 507.052 4.597 0 40 KJAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 20482857 NTUWKDRGLISBQE-UHFFFAOYSA-N 509.031 4.730 0 40 KJAB CCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(Cc1ccccc1)C3 20814674 RBJCGCGXEWFMDO-UHFFFAOYSA-N 505.665 4.720 0 40 KJAB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 22428580 APLNHPMRXWICTF-GOSISDBHSA-N 517.445 4.921 0 40 KJAB CCOc1cc([C@H]2C(C(=O)N3CCN(Cc4ccccc4)CC3)=C(C)Nc3nc4ccccc4n32)ccc1O 22847887 UUVOYFGAYQBLGI-LJAQVGFWSA-N 523.637 4.774 0 40 KJAB Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1C 22872716 RNYHEOUSEFPOGD-ZQAZVOLISA-N 589.744 4.807 0 40 KJAB CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4ccccc4N4CCN(Cc5ccccc5)C[C@@H]43)C2=O)cc1 25184968 JBJYBMJNDUNNLP-GRKNLSHJSA-N 508.622 4.519 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C/c3ccc(C(F)(F)F)cc3)c2=O)=N1 28627746 HPJUDSXBNUKWFK-GOOXQAOHSA-N 519.548 4.893 0 40 KJAB COc1ccc(-n2c(SCC(=O)Nc3ccc(NC(C)=O)cc3)nc3c([nH]c4ccccc43)c2=O)cc1OC 38139073 JTWXDSXODKJDQC-UHFFFAOYSA-N 543.605 4.573 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)CCC(=O)Nc1cc(C)on1)c1ccccc1OC 38145994 ZYSAESLXMJZVIU-HHHXNRCGSA-N 536.629 4.798 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1Br 59834397 YSZWJBJRAHDWJG-IBGZPJMESA-N 523.836 4.639 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 59881786 IYARWKBCAVWIDT-UHFFFAOYSA-N 583.663 4.778 0 40 KJAB COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2cc(OC)c(OC)cc2OC)cc1 85879165 AKYLNLHWZLXLBU-QGZVFWFLSA-N 504.491 4.641 0 40 KJAB biogenic CC[C@]1(C(=O)c2ccc(Br)cc2)[C@H]2c3cc(Br)ccc3OC(=O)[C@@]21C(=O)OC 100129552 RWTSRXYOMIUXBG-HBGVWJBISA-N 508.162 4.667 0 40 KJAB CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccc(S(=O)(=O)O)cc3C2(C)C)CCCO)C(C)(C)c2cc(S(=O)(=O)O)ccc21 100265789 WEWYZXDKAYRHFP-UHFFFAOYSA-O 601.767 4.753 0 40 KJAB COCCN(C(=O)c1snc(-c2ccc(OC)cc2)c1N)[C@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 100342771 UTTTYFFNPKUDEZ-SANMLTNESA-N 552.697 4.688 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCCOc4cccc(C)c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 100592199 VRRTXWYOXGIVLW-OUXZYKPHSA-N 628.747 4.972 0 40 KJAB CCOc1ccc(C(=O)CSc2nc3cc(C(=O)NC[C@H]4CCCO4)ccc3c(=O)n2Cc2ccccc2)cc1 102177223 WROCZQBWWAZDJW-RUZDIDTESA-N 557.672 4.727 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)cc2)cc1 103000431 KAYREROUWZVWGJ-UHFFFAOYSA-N 564.085 4.576 0 40 KJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc(Br)o2)c1 103112096 DGZPVEPCCQPNND-UHFFFAOYSA-N 541.807 4.706 0 40 KJAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1C 105251173 NYKDNCFSUAHPJO-SFHVURJKSA-N 536.075 4.551 0 40 KJAB O=C1S/C(=C\c2cc(Br)c(O)c(Br)c2O)C(=O)N1Cc1ccccc1F 106697623 KOALMJGULFHBRV-SDQBBNPISA-N 503.143 4.998 0 40 KJAB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Br)cc(OC)c5O)c(=O)n42)c2ccccc2CC3)cc1 139627116 HUJIZJOMKIBSNM-ZSJKCPIUSA-N 575.484 4.804 0 40 KJAB CCCC[C@@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@H]1C/C=C\CCCCC(=O)NCCCCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]21 150339736 SMXHHOPMXGFCLA-FIVPSEIYSA-N 676.965 4.685 0 40 KJAB in-vitro CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)c1 150438544 QBXVPHYVAABWSK-UHFFFAOYSA-N 685.869 4.606 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)cc3OC)S(=O)(=O)c3ccc(C)cc3)cc2)c1 198320748 QXSSWTUPWFBIJN-UHFFFAOYSA-N 655.751 4.664 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 222600471 GWJHBLSVGUQNSN-AOYPEHQESA-N 529.747 4.614 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222699945 JXNZZNZBAXEQHF-QHCPKHFHSA-N 600.565 4.643 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 222735790 GKHDXANYYZZANT-HXUWFJFHSA-N 562.519 4.969 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3C[C@@H](C(=O)NCc4ccccc4)Oc4ccccc43)c(C)c2)cc1 222808061 MQQXIZWONYLVDM-HKBQPEDESA-N 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COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 20107629 ACBQQPWNRPIOMG-RUZDIDTESA-N 526.655 4.811 0 40 KJAB O=C(NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cccc(I)c1 20151789 MFUDYPZELITNMA-UHFFFAOYSA-N 512.756 4.824 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)CCc2ccccc2)cc1Cl 22248246 UPJVSOXTDMORPN-CPJSRVTESA-N 515.075 4.766 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)c2cc(Cl)ccc2C)cc1 22431874 KPWYJGCHAMQNMV-UHFFFAOYSA-N 512.031 4.918 0 40 KJAB NC[C@@H]1CCC[C@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 26273247 DAMXHAMKVXERLM-QEGDFHJFSA-N 539.724 4.731 0 40 KJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@]32C(=O)Nc3ccc(Br)cc32)cc1OC 40487512 STRYJZHDJLNWCH-NBGIEHNGSA-N 506.356 4.815 0 40 KJAB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3)CC2)cc1 40717372 IJYXKAKPDAYSCN-UHFFFAOYSA-N 514.409 4.982 0 40 KJAB COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CC(C)C)C(=O)O)C(=O)N32)cc1 70707148 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564.733 4.793 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(F)cc1 103753768 UIFKTEWUGLYRRD-LKWZWFHSSA-N 623.500 4.854 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 106756741 LUEQNBCTLITZPN-JCMHNJIXSA-N 558.056 4.805 0 40 KJAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(OCC(C)C)cc3)c2=O)=N1 107667694 ZXRZVBNKGJGGBN-ZDGAQAAHSA-N 525.070 4.875 0 40 KJAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 113624393 WVJPDVVQMNSGMA-UHFFFAOYSA-N 531.428 4.768 0 40 KJAB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccc(CN2CCCC2)cc1 139848749 BGOZRFUVQCTOII-UHFFFAOYSA-N 531.600 4.813 0 40 KJAB CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 150425988 INTGPRUFDBUSNR-UHFFFAOYSA-N 635.672 4.782 0 40 KJAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 216369626 IGKQFUSYNVDTQK-UHFFFAOYSA-N 600.546 4.907 0 40 KJAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2 222628287 YMRCYOVOWWEROS-UHFFFAOYSA-N 604.150 4.720 0 40 KJAB Cc1cccc(CN(C(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1 222743521 KLUCXKNBGGTNFV-NRFANRHFSA-N 536.138 4.835 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 222765412 HTTJAZBRGMDEIN-MHZLTWQESA-N 618.569 4.767 0 40 KJAB Cc1cc(C)cc(N(CCCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 222818058 OWAPIIXEKQSAOO-NRFANRHFSA-N 536.138 4.835 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 222827609 MCTMJZHXYUQHHD-AREMUKBSSA-N 576.546 4.926 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 222859777 ROFDERYYUDIPNZ-PMERELPUSA-N 696.222 4.956 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(Br)cc1Cl 223069741 LSAHKGURFCDVQB-ZDUSSCGKSA-N 532.660 4.797 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 223104701 KCAPVFWGBVEUJZ-HKBQPEDESA-N 585.726 4.667 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 223232289 FWUZAABWNGQYPZ-OAQYLSRUSA-N 522.111 4.528 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 223287063 MKCJGCYLAHCKSX-RUZDIDTESA-N 606.970 4.645 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223434420 IWMSCECKWURCIW-YTTGMZPUSA-N 617.743 4.947 0 40 KJAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C(=O)NCCC2=CCCCC2)c2ccccc2)cc1 223506632 XULOQHBAVPVECI-DHUJRADRSA-N 661.821 4.872 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 223607961 RBAUKDODIJHUFF-MHZLTWQESA-N 611.761 4.630 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 224058003 ARUVZWYEAUVAEW-GDLZYMKVSA-N 583.726 4.796 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 224145770 VCSAPDROTWIGOJ-NDEPHWFRSA-N 535.710 4.751 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 224423919 PGVPAJXSUPSJKG-XMMPIXPASA-N 570.539 4.634 0 40 KJAB O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccc(CN2CCOCC2)cc1 224544492 HNYTXDSLVPCFNW-UHFFFAOYSA-N 582.044 4.703 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 224672370 WTROPVNXKBIIBN-XMMPIXPASA-N 551.709 4.533 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 225028739 IDTYDWDDGVJZNI-BJKOFHAPSA-N 551.709 4.531 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1OC 225137598 HAHKXRWHIXEDFS-UHFFFAOYSA-N 555.678 4.804 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(I)cc1 225257846 QTPZWGRPSNVISE-MRXNPFEDSA-N 573.269 4.766 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 225290554 QOUMGNCTCSAABQ-JOCHJYFZSA-N 542.529 4.710 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 225322511 VDCYDXBUMCCLFA-GDLZYMKVSA-N 549.737 4.626 0 40 KJAB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)ccc1NS(C)(=O)=O 225434025 CFFLDQIXWKWZBO-RPBOFIJWSA-N 537.642 4.569 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 225723211 PDMDQVKLKJTRDZ-HHHXNRCGSA-N 565.736 4.839 0 40 KJAB Cc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccccc3Cl)n2)cc1 225808093 WCVVLDGJFVPCAB-UHFFFAOYSA-N 541.054 4.944 0 40 KJAB C[C@@H]1CCCN(c2cc(N3CCc4ccccc4C3)nc(NC(=S)NCc3ccc4c(c3)OCCO4)n2)C1 226014996 HKZHDBRASCHEDZ-HXUWFJFHSA-N 530.698 4.533 0 40 KJAB O=C(NCCCNc1ccnc2cc(Cl)ccc12)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 226083577 CIZFCJCIYFQSOU-QGZVFWFLSA-N 565.921 4.670 0 40 KJAB COc1ccc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl 260736951 JMKWQMJZIYPDLV-GOSISDBHSA-N 515.031 4.839 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 260752472 CZHTYZFJTHKVQZ-XMMPIXPASA-N 653.798 4.701 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 260779119 KAGKFOAERAQYCL-OAQYLSRUSA-N 662.205 4.902 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 260869530 ATMIXPJNXUCOLM-RPWUZVMVSA-N 611.761 4.548 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(OC)cc1)[C@H](CC)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 260905767 PFPCELOKHUYMNO-MUUNZHRXSA-N 595.762 4.869 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 260973296 MTEDQJFLYQSGQA-YADHBBJMSA-N 572.127 4.876 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 260980191 AZIYZZKCFURQPY-ZBLYBZFDSA-N 618.569 4.909 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](Cc2ccccc2)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 261087909 SOQGHWUTQSXVSJ-AYWVHJORSA-N 579.763 4.578 0 40 KJAB Cc1ccc(N(CC(=O)N2CCN(c3cccc(C)c3C)CC2)S(=O)(=O)c2ccccc2)cc1Cl 408625199 ILCSNLMUYIIHLZ-UHFFFAOYSA-N 512.075 4.809 0 40 KJAB C[C@H](C(=O)OCc1ccccc1F)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408654200 KCOUQUHPIDOSQI-MAYCUEEMSA-N 524.375 4.851 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC(C)C)c(I)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408800711 ORUGFJSAHWAFHF-ZRELAVNMSA-N 732.353 4.934 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(SC)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 408994419 HLMMGKBVILAJGY-ZEKHAJRLSA-N 542.682 4.666 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Cl)C2CCCCC2)cc1OC 409004105 OCPWAPWXQPVYNI-UHFFFAOYSA-N 501.432 4.973 0 40 KJAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3)cc2Br)C1=O 409068478 STGHNMZUDWWTAU-BUESGFEBSA-N 506.374 4.635 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)o3)c(=O)n2[C@@H]1c1cccs1 409099655 SPDZTMSXHLQDCD-JIPFHLNWSA-N 602.719 4.545 0 40 KJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409147663 VQDOSNCPPGDBHS-VQTJNVASSA-N 509.628 4.800 0 40 KJAB O=C1N/C(=C/c2ccc(OCc3ccccc3)c(I)c2)C(=O)N1Cc1ccccc1 409234739 XWUYTYUPLOSPGS-KGENOOAVSA-N 510.331 4.963 0 40 KJAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 409332152 QFKOQAFCVDKFEN-UHFFFAOYSA-N 535.647 4.873 0 40 KJAB N[C@@H](Cc1cccc(F)c1)C(=O)N1CCN(Cc2ccccc2)CCCNc2ccc(Br)cc2C1 643587846 PKCXDZULIQJKNA-SANMLTNESA-N 539.493 4.805 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O 1374277 PPPYWZLVDKLJCM-SANMLTNESA-N 540.599 4.893 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3N3CCOCC3)c2)cc1C 3215391 AVOQSWPWXVXWOQ-UHFFFAOYSA-N 500.020 4.847 0 40 KJAB CCCC(=O)Nc1c(I)cc(I)c(C[C@H](CC)C(=O)O)c1I 3831595 YMOXVLQZFAUUKI-QMMMGPOBSA-N 641.025 4.892 0 40 KJAB world CCOC(=O)C(=Cc1ccc(OCCCOc2ccc(C=C(C(=O)OCC)C(=O)OCC)cc2)cc1)C(=O)OCC 6544820 PILLVSUZCPOKIZ-UHFFFAOYSA-N 568.619 4.554 0 40 KJAB O=C(COc1ccc(Br)cc1Cl)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 8400526 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CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 261043010 KTUUDWWPLNECSF-CUNXSJBXSA-N 647.579 4.612 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 261083338 RQRVKENFJPCHRD-VXKWHMMOSA-N 646.604 4.994 0 40 KJAB Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 408599438 HFOLGPQMGHNNMR-UHFFFAOYSA-N 542.876 4.922 0 40 KJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408690232 UKWQVGLJLAFMAQ-DFOTYWCWSA-N 573.871 4.535 0 40 KJAB Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 408731572 LVFQQAYVGDFTGA-KDIYZHFBSA-N 513.933 4.899 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3OCC)c(=O)n2[C@H]1c1ccccc1Cl 408825213 JIAXFNGKUHSNGK-AFHVAHMMSA-N 591.911 4.622 0 40 KJAB CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 408978709 ARORZKAOFKXBCL-IZZVBFKTSA-N 603.096 4.531 0 40 KJAB CC(C)c1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc1 408993977 XTZYKWDUOSAEKJ-QHCPKHFHSA-N 548.446 4.943 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)Cc2c(Cl)cccc2Cl)cc1 409007613 YGSXELDGXSYFRU-UHFFFAOYSA-N 507.395 4.860 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2cccc(Cl)c2)c2ccccc2OC)cc1 409027443 CKJRQGVYWNZGHB-UHFFFAOYSA-N 535.087 4.602 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 409128794 SMFLHSMYCBXHBV-XDHOZWIPSA-N 583.400 4.650 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccc(OCC(=O)N4CCCC4)c(OCC)c3)c2=O)=N1 409158300 KVNMMROMMWXFQT-CTHKJOMYSA-N 668.212 4.640 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1OCc1ccc(F)cc1 409204437 HKDPITZFULZIDW-IMRQLAEWSA-N 561.635 4.798 0 40 KJAB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2cccc(Br)c2)cc1 409381323 FYSHTRBDUONCBV-VXKWHMMOSA-N 540.366 4.540 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc(OC)c3OCc3ccccc3F)C2=O)o1 409400962 WNAHWFHGFHMBJQ-VXLYETTFSA-N 559.344 4.648 0 40 KJAB Cc1ccc(Cn2c(=O)c3ccc(C(=O)NC(C)C)cc3n3c(SCc4cccc(F)c4)nnc23)cc1 575616005 NFIRGUPIZLLUEP-UHFFFAOYSA-N 515.614 4.971 0 40 KJAB Cc1ncsc1C(=O)N1CCCCC2(COc3cccnc3)CCN(CC2)C(=O)c2ccccc2OCC1 643580319 BTQCQVMGPDQCFW-UHFFFAOYSA-N 534.682 4.853 0 40 KJAB O=C(CN1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3)Nc1nc(-c2ccc(F)cc2)cs1 1615125981 OMTVFNZLSYGQQV-XNFLFYSQSA-N 645.801 4.569 0 40 KJAB CN1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)CCCN(C(=O)c3ccc(-c4ccccc4F)o3)C2)CC1 2037905410 AWJAWXQVCJMAPC-SSEXGKCCSA-N 537.607 4.690 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@H](C(=O)NC3CCCC3)c3ccc(C)o3)n2)o1 886189 IDZUXOPVSSYRFD-VWLOTQADSA-N 537.020 4.625 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(C3CCCCC3)[C@@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)cc1OC 886367 CUWAEVGAEQATRH-GDLZYMKVSA-N 578.689 4.848 0 40 KJAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(Cc1ccccc1F)C(=O)Cn1nnc(-c2cccs2)n1 887443 KCSYCSJODUTJBK-XMMPIXPASA-N 538.674 4.821 0 40 KJAB COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(OC)c(OC)c2)cc1 906106 XJCXMEJEUVZWNL-SSEXGKCCSA-N 557.651 4.681 0 40 KJAB CCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 933679 LATVWCORGDMQGO-UHFFFAOYSA-N 558.722 4.660 0 40 KJAB COc1ccccc1-n1c(=O)c2c3c(sc2n2c(SCC(=O)Nc4ccc(C)cc4)nnc12)CCC3 986142 KBXATOPMYQSTAR-UHFFFAOYSA-N 517.636 4.631 0 40 KJAB CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O 1374675 WUBPHZABLOJCPW-RUZDIDTESA-N 500.628 4.787 0 40 KJAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)cc1F 2264520 BLPFKMZSIOWWAP-IWIPYMOSSA-N 509.566 4.675 0 40 KJAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nc(O)c3cnn(-c4ccc(F)cc4)c3n2)sc2c1CCC2 2718012 VJZGSACCXOVONU-LBPRGKRZSA-N 527.603 4.506 0 40 KJAB CCOc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 3245162 RCOPXFCKYOCUKF-NDEPHWFRSA-N 519.667 4.830 0 40 KJAB C[C@H](C(=O)N1CCSCC1)[C@@H]1CC[C@@]2(C)Cc3sc(NC(=O)CC(C)(C)C)nc3[C@@H](C)[C@@H]2[C@H]1O 3840744 WVJGHTUGBZLBAW-ZQFPJLCMSA-N 507.766 4.782 0 40 KJAB biogenic,in-vitro COc1cccc([C@@H]2CN3C(=O)CN(CCc4cccc(F)c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)c1OC 8789887 KAGTZIXLSKXVEJ-FWUCURJTSA-N 527.596 4.598 0 40 KJAB biogenic CCOc1ccccc1CCCNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 10110904 FQLOZEMIIXMINH-UHFFFAOYSA-N 501.048 4.991 0 40 KJAB COc1ccccc1CNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 12601886 ZEYSUZPLVTUJIL-KZQOYIJHSA-N 507.638 4.648 0 40 KJAB biogenic,in-vitro Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)S(=O)(=O)c2ccccc2)c1C 12629546 UFTSJJYDHTXSSX-UHFFFAOYSA-N 517.607 4.660 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccc(F)cc2)cc1 12712889 CLHKRFLDLAOUJP-NDEPHWFRSA-N 517.605 4.511 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O 13495236 AFAITWUGRAULDF-SANMLTNESA-N 522.609 4.754 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(OC)cc2)Cc2ccccc2)cc1Cl 20015867 MXIZDLULPZBQEU-IBGZPJMESA-N 517.047 4.816 0 40 KJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1 20458813 LXVOBYGLBOASFE-OAQYLSRUSA-N 504.992 4.954 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=O)COc3cc(C)cc(C)c3)CC2)cc1 21576706 YLLNFGVFGBSZEK-UHFFFAOYSA-N 528.074 4.794 0 40 KJAB COc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1 22278809 QNSLMBJQOLTMCK-UHFFFAOYSA-N 519.417 4.609 0 40 KJAB CCOc1ccc([C@H](CNC(=O)C[C@H](NC(N)=O)c2cccc(C)c2)c2c[nH]c3ccccc23)cc1OC 32796190 POQUHUDEROFIPQ-OZXSUGGESA-N 514.626 4.931 0 40 KJAB COc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)N2CCCC2)cc1 33023412 BZVJZFXUSUWMAO-MHZLTWQESA-N 507.656 4.680 0 40 KJAB COc1cccc(CSc2nnc3n(Cc4ccccc4)c(=O)c4ccc(C(=O)NC(C)C)cc4n23)c1 33256724 OEJYYEGITVCYLG-UHFFFAOYSA-N 513.623 4.532 0 40 KJAB CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 33649684 SSGFSNNZHOFQBK-AWEZNQCLSA-N 507.538 4.547 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 59651325 OLPIZELZQCKCQW-UHFFFAOYSA-N 520.938 4.969 0 40 KJAB CC(C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccc(Cl)cc1 70701427 MLVDUYSTMFMLEP-UNCTUWKVSA-N 541.051 4.748 0 40 KJAB biogenic COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Br)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)cc1 98046211 LYTMLWAEYCNXCD-OCEWKHMESA-N 574.500 4.953 0 40 KJAB COc1ccc(CNC(=O)[C@@H](c2ccc(OC)cc2)N(CCc2ccccc2)C(=O)[C@@H]2COc3ccccc3O2)cc1 100330517 WLSMNOQNIYBHGX-AJQTZOPKSA-N 566.654 4.973 0 40 KJAB CC[C@H](c1nnnn1C[C@H]1CCCO1)N(CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 100372406 ZLODHJLLMFQGME-AOYPEHQESA-N 560.699 4.524 0 40 KJAB COc1c(Br)cc(Br)cc1C(=O)Nc1ncc(I)cc1C 100372648 OWITZGBBEWVWEN-UHFFFAOYSA-N 525.966 4.781 0 40 KJAB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 102759650 YQHMCXNPSUVVDG-OHSXHVKISA-N 518.566 4.552 0 40 KJAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)C1c2ccccc2Oc2ccccc21 102968541 UBADCWWOTOIEMB-UHFFFAOYSA-N 533.650 4.574 0 40 KJAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 104745170 KUHHFYZRWGDWMX-JSKGELSMSA-N 527.707 4.671 0 40 KJAB Cc1cccc(N2CCN(CCCNC(=O)CCc3nnc4n(Cc5ccccc5Cl)c(=O)c5ccccc5n34)C[C@H]2C)c1 104775809 PUJQNZAQBDMSJW-RUZDIDTESA-N 612.178 4.704 0 40 KJAB COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4c(F)c(F)c(OC)c(F)c4F)cc3n2)cc1Cl 105309363 QFHCHGNQVHFGDF-UHFFFAOYSA-N 539.898 4.774 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3nc4c(s3)CCC4)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 108448783 KGBLWQMWSLTQDY-KMRXNPHXSA-N 606.745 4.883 0 40 KJAB biogenic CC(C)Oc1ccc(CNC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 140363158 LMSQRKZSRBRTSS-UHFFFAOYSA-N 564.445 4.590 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC)c(S(=O)(=O)NCc4ccccn4)c3)cc2)cc1Br 150453654 OIFCMGFOHLXSHB-UHFFFAOYSA-N 675.583 4.783 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 222431628 OCOBXVMLIZJWNQ-NRFANRHFSA-N 562.054 4.765 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c1C 222728533 OABRMZMJHCDBJF-LJAQVGFWSA-N 567.727 4.621 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 222871656 HYMDNMLMNSAXBX-NDEPHWFRSA-N 569.699 4.670 0 40 KJAB C[C@H](C(=O)NCc1ccc(Cl)cc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 222888982 JPFWKNKQODMERI-HXUWFJFHSA-N 572.102 4.586 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 222904974 QPFNGSNJXTZLHU-MHZLTWQESA-N 556.128 4.910 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 223116747 YDOUAFCHMPICAV-WOJBJXKFSA-N 540.101 4.666 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 223423956 HJLSWOBRSGJRIO-FQEVSTJZSA-N 580.044 4.986 0 40 KJAB CCOc1ccccc1N(CC(=O)NCCOc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 223491085 BJYDFKRUZPCFIZ-UHFFFAOYSA-N 510.656 4.773 0 40 KJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 223535267 WRQRFXBXDBVARB-SANMLTNESA-N 609.789 4.892 0 40 KJAB COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1 223535658 ZDCXNLBSIXPYPB-PGUFJCEWSA-N 655.773 4.884 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 223835725 KRAMEBCYAKEFSN-DEOSSOPVSA-N 570.539 4.686 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 223848248 YEZJEZOUJBRQAP-JOCHJYFZSA-N 562.947 4.991 0 40 KJAB C[C@H](NC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 223851541 LWGPOEFRAHVOCF-INIZCTEOSA-N 555.505 4.854 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 224142488 FBRWJKKLLIRYCU-NDEPHWFRSA-N 551.709 4.533 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O 224170784 DXNGCCOPSIJFAT-MHZLTWQESA-N 586.154 4.671 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 224577103 XUIPKJKXAAGETE-ULWXPFJOSA-N 595.806 4.873 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 224671807 OGJRFDIPVGPZCR-JOCHJYFZSA-N 586.552 4.896 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 224727384 AEPRTAHJTGCNDD-OAQYLSRUSA-N 560.091 4.926 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 225021356 YZOSZWJZSNLQQT-DEOSSOPVSA-N 538.085 4.501 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 225125525 GVAWACIWYWWYLT-SANMLTNESA-N 557.757 4.806 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 225337824 YZFSAPIHUAPJBS-SSEXGKCCSA-N 563.764 4.952 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 225375692 SKFJGSLMBFORPS-LJAQVGFWSA-N 565.736 4.787 0 40 KJAB 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CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 260982005 OFCZQGUWDWNHHI-BWKNWUBXSA-N 536.138 4.917 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 261023130 IPTFCTLZVIQHQP-GDLZYMKVSA-N 563.764 4.933 0 40 KJAB COc1cc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2Cl)c(OC)cc1Cl 408590078 GXLBUBRSFDZURB-UHFFFAOYSA-N 529.373 4.968 0 40 KJAB COc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)Nc4ccc(C)c(Cl)c4)CC3=O)cc2)cc1 408650098 ANGUKFSNWWNXMS-GOSISDBHSA-N 508.958 4.984 0 40 KJAB CCCC[C@H](C(=O)OCC(=O)Nc1ccc(C(=O)OCC)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408687921 PPSZLYZPKNKONY-YJTVIJPYSA-N 594.664 4.796 0 40 KJAB CC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](c5ccccc5)CC[C@H]4C3=O)c2)cc1 408691089 YDTUWTHOEIBYNE-FDJWOJMMSA-N 524.573 4.758 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(C)=O)cc4)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408825069 RGKZDKZGAOSDKF-YNMQQHPQSA-N 556.640 4.660 0 40 KJAB COc1cc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC 408845117 ONNKOFKFAZGORL-UHFFFAOYSA-N 515.349 4.920 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc(Cl)c1OCC(=O)O 408873969 XWYKCIVDDNMCGU-APSNUPSMSA-N 544.891 4.506 0 40 KJAB CCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 408978938 AZTMUCLUEAUHQD-HRLSHZPLSA-N 554.668 4.733 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 409022999 CFVMVOWGYDRMAB-UHFFFAOYSA-N 530.046 4.629 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC(=O)OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409032971 CYCTZUKMCXYOEK-FVTDTAELSA-N 785.451 4.513 0 40 KJAB CCOc1c(I)cc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)OC)=C(CC)N=2 409049343 QKYOJANWJJKPDY-SRKIZSPNSA-N 653.336 4.564 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C1=O)Nc1ccc(N2CCOCC2)cc1 409144622 MDOPNDQYUOFEGQ-ONUIUJJFSA-N 547.608 4.916 0 40 KJAB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OC)c3)C2=O)ccc1Cl 409161120 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CC1=CC(C)(C)N(C)c2cc3oc(=O)c(-c4cc(O)nc(N5CCN(c6ccccc6)CC5)n4)cc3cc21 575473065 BZJDCXKFONZOTE-UHFFFAOYSA-N 509.610 4.914 0 40 KJAB CCc1nccn1CCCOc1ccc(CN2CCOC[C@@](COc3cccc(Cl)c3)(OC)C2)cc1OC 585272867 OYUOHHVEMYLUIH-LJAQVGFWSA-N 544.092 4.873 0 40 KJAB Cc1noc(-c2ccccc2OCC(=O)N2CCC3(CCCCc4ccccc4OCCCC(=O)NC3)CC2)n1 643561892 JXLJCIFZYAQRIY-UHFFFAOYSA-N 546.668 4.734 0 40 KJAB CCCN1CCCCN(S(=O)(=O)c2ccc(F)cc2F)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643562328 PHECZHHXIAOIAZ-VWNXMTODSA-N 506.615 4.992 0 40 KJAB COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CSc2nnc(-c3ccncc3)n2-c2cccc(OC)c2)c1 643912871 CICGFAWSSYKZQR-GWPDCMAISA-N 790.984 4.676 0 40 KJAB COc1cc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)C2=O)c(OC)cc1Cl 1197857 NDWNLZAHOHUNKC-WQRHYEAKSA-N 522.941 4.611 0 40 KJAB CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1326034 LERDCQVCHYQURE-AREMUKBSSA-N 540.599 4.627 0 40 KJAB COc1ccc(-n2c(SCC(=O)Nc3ccc(NC(C)=O)cc3)nnc2-c2cccc(OC)c2)cc1 2444578 QLZGSKDVODPHRN-UHFFFAOYSA-N 503.584 4.641 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)cc(C)c2)cc1 6601331 ZYOWWYZZYKXKLH-VWLOTQADSA-N 549.697 4.677 0 40 KJAB COc1ccc(CCNC(=O)c2cc(C(=O)c3cc(Cl)ccc3O)cn(CCc3ccc(OC)cc3)c2=O)cc1 8693936 VOSDCXIGZXJJMU-UHFFFAOYSA-N 561.034 4.671 0 40 KJAB aggregator COC(=O)/C=c1\sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C1=C(N=2)/C(=C/c2ccc(Cl)cc2)CCC1 9158783 LUXCGCFDSCNLIF-ZVUCYYGPSA-N 511.430 4.914 0 40 KJAB Cc1cc(C(=O)COC(=O)/C=C/c2ccc(Br)o2)c(C)n1C[C@H]1COc2ccccc2O1 13522065 VCLCASLMLNMQOB-LNENJAERSA-N 500.345 4.740 0 40 KJAB COC(=O)c1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)ccc1Cl 13678874 WUJIGHVXHKMVDM-AWEZNQCLSA-N 519.834 4.614 0 40 KJAB COc1ccc(CCN(C(=O)c2cccc(F)c2)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 13775131 FLERXDQYZDLKSS-JOCHJYFZSA-N 510.949 4.513 0 40 KJAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 14154447 FVYXBUMYPOHLCX-UHFFFAOYSA-N 500.020 4.947 0 40 KJAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1cccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1 16044357 YLDSXLOGZQOVQM-UHFFFAOYSA-N 516.619 4.851 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Br)c1OC 17155030 WTYNZDDFFPADRM-WQRHYEAKSA-N 505.390 4.840 0 40 KJAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 18178741 QAOSIWDRNAYBOL-QUMGSSFMSA-N 512.949 4.664 0 40 KJAB COc1ccccc1[C@@H](C)NC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(C)cc1 20012203 LSDZLLFFWGVZHX-GOSISDBHSA-N 505.011 4.864 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)Cc2ccccc2)cc1Cl 20015888 HAYUCWDKZDQFCL-UHFFFAOYSA-N 512.937 4.986 0 40 KJAB Cc1ccc(C)c(N2CCN([C@@H](c3cc4c(C)ccc(C)c4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)c1 20079583 IAINEMWICMVVFF-PMERELPUSA-N 533.680 4.708 0 40 KJAB COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)Nc4ccc(CN5CCOCC5)cc4)ccc23)cc1 20591817 LTSZSMRSIQOODD-UHFFFAOYSA-N 514.578 4.627 0 40 KJAB biogenic CC[C@H](C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 37021559 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Cc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)N3[C@H]4C(=O)N(c5ccccc5C)C(=O)[C@@H]4[C@H](c4ccccc4)N3[C@@H]2C1=O 98043651 MXMUZKZWMUCQNP-JQUHQKEMSA-N 582.660 4.748 0 40 KJAB COc1ccccc1N1CCN(C(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)CC1 100274465 GKQWZFVENGSTPN-UHFFFAOYSA-N 562.519 4.850 0 40 KJAB Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(=O)NC3CCCCC3)c2N)c2ccccc2)o1 100293785 CTNYFBISBZHDAY-QHCPKHFHSA-N 537.686 4.992 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(F)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 100305404 KUASZFUIQRVREA-JLHDDXNDSA-N 602.684 4.924 0 40 KJAB Cc1c(Cl)ccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCCN21 101213239 DOBHVABSGZTJFD-DDOIHHOZSA-N 524.326 4.752 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(C(=O)O)cc5)o4)c(=O)n32)cc1 101494547 PBCHHQKOLMNRHV-PQRKSKNISA-N 591.645 4.841 0 40 KJAB CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccccc3OC)C(=O)N12)C(=O)Nc1cccc(OC)c1 102745590 MQORJXKORTVVKC-BDYUSTAISA-N 599.713 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260797925 OGPQEZHVLIQYQY-HSZRJFAPSA-N 611.736 4.904 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 260973379 MWAGBDKMWDSTJJ-RPBOFIJWSA-N 565.736 4.839 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 260994613 DFUGWGFZRAALMK-GIGWZHCTSA-N 597.753 4.935 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 260998278 OZHOGYMKIUPYQN-GDLZYMKVSA-N 565.711 4.599 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 261119218 YYJBBDVMSQNEQD-FIPFOOKPSA-N 570.155 4.969 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3O)n2C)cc1 408545315 XSTFBKTUGAJULU-UHFFFAOYSA-N 519.421 4.638 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(OC)c(Cl)cc2OC)c2cccc(Cl)c2)cc1 408615991 DRJOTDRRVOATQU-UHFFFAOYSA-N 525.410 4.853 0 40 KJAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccc(Br)cc3)cc2)CC1=O 408652100 OIGLVCQXDHEEHA-HXUWFJFHSA-N 566.404 4.846 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(C)C)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408824689 JAXRWOFQKOPGKT-XQNWCSQWSA-N 564.704 4.631 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cccs2)n2c(s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)c2=O)=N1 408833099 ZGXBXCQJAZMSBM-GJFKPFFXSA-N 562.669 4.907 0 40 KJAB COc1cc(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)c1O 408874822 DGRNRIXXCQVVNF-UUASQNMZSA-N 531.306 4.857 0 40 KJAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4ccc(I)cc4)cc3)C2=O)cc1 409022473 PJQSLYFPVNDVAL-OEAKJJBVSA-N 567.383 4.710 0 40 KJAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)C2=O)c1 409104716 FEFGHLSWIRVZEP-LPYMAVHISA-N 564.392 4.566 0 40 KJAB Cc1cc(I)cc(C)c1NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 409180738 UYVAQJQWOAIBMY-UHFFFAOYSA-N 503.292 4.776 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2)c2ccc(F)cc2)cc1 409384073 ZHUFBUBDHVSCAX-UHFFFAOYSA-N 554.381 4.663 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(Cc4ccc(Cl)cc4)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 409386695 FSSAFEGELNRRIC-MIOXIQPJSA-N 644.149 4.776 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)cc1 409387031 NCJGXODOIHIWNA-UHFFFAOYSA-N 571.699 4.809 0 40 KJAB CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)CNCCCCCCCN2C(=O)COC)c1ccc(C)cc1 643585098 ZREYTFADNLCRIF-GDLZYMKVSA-N 522.734 4.841 0 40 KJAB COc1cc(CN2CCOC[C@](COc3cccc(Cl)c3)(OC)C2)ccc1OCCCn1cc(C)cn1 2037940776 LCLKGSSNYUMMFD-MUUNZHRXSA-N 530.065 4.619 0 40 KJAB COc1ccc(NC(=O)C(C)(C)N(Cc2ccccc2)C(=O)CSc2nc(C)cc(C)n2)c(OC)c1 1407232 WMIOCXBXFOUTON-UHFFFAOYSA-N 508.644 4.649 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 2064188 CINZKNIIBHFHFP-GJFKPFFXSA-N 535.021 4.720 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)c(=O)n2[C@@H]1c1ccccc1 2148366 RSLXEBSZKRVEOS-KDSDTBODSA-N 559.043 4.671 0 40 KJAB CCc1cccc(CC)c1NC(=O)COC(=O)C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1cccs1 3275459 KVNPOYZXZVSYGF-HSZRJFAPSA-N 526.680 4.733 0 40 KJAB O=C(CN1C[C@@H](c2ccccc2)NC1=S)N(Cc1ccccc1)C1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCSCC1 8695951 JYZNWIXESSJPTD-PMERELPUSA-N 629.852 4.688 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2CCOC)sc2c1CCCC2 8830481 FASDUZIORUDZMP-UHFFFAOYSA-N 539.683 4.921 0 40 KJAB C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NCCc5ccc(O)cc5)CC[C@]4(C)[C@@H]3CC[C@@]21C 8917898 NJGWSWKGLBTOIW-RLRKROCYSA-N 504.671 4.751 0 40 KJAB biogenic COc1ccc(CCNC(=O)c2ccccc2NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1OC 9063542 XQUBFNOOLHQEIY-UHFFFAOYSA-N 519.617 4.666 0 40 KJAB CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(=O)c3c(F)cccc3Cl)scc12 9381683 HACMPRRNUHRTOB-UHFFFAOYSA-N 501.923 4.677 0 40 KJAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 10186896 IHQQYRUYPZBYKJ-UHFFFAOYSA-N 501.033 4.984 0 40 KJAB COc1ccc(S(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1C(=O)N1CCCCCC1 10543792 SKXRHEOFPPLXQA-UHFFFAOYSA-N 526.630 4.908 0 40 KJAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c2ccccc2C)o1 12703940 VFOFRBAJQWUKFY-SANMLTNESA-N 516.577 4.522 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2OCC)cc1 12714005 QVOGJIGCISSIGH-NDEPHWFRSA-N 529.641 4.918 0 40 KJAB O=C(Nc1ccc2c(c1)OCO2)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 36057164 VKFRNMOSKRJNHH-LJAQVGFWSA-N 519.561 4.569 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C(F)(F)F)c3)S(C)(=O)=O)cc2)c1 59885257 XRWHKQQFQNVGCD-UHFFFAOYSA-N 555.600 4.528 0 40 KJAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)c(C(=O)O)c1 98045201 ZRKGWNNJFXYJSS-UHFFFAOYSA-N 532.607 4.599 0 40 KJAB CCCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 98046730 NEYXMJATAXDYRF-DEOSSOPVSA-N 541.442 4.612 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 100091416 QDKJMOYMTMXSQR-SFHVURJKSA-N 582.531 4.975 0 40 KJAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3Br)cc2)n1 100187969 FAQFSSOXFVENBA-UHFFFAOYSA-N 547.475 4.972 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(C(=O)CCC(=O)Nc1cc(C)on1)c1ccc(OC)cc1 100415891 OGQWMALZPNQWKP-HHHXNRCGSA-N 566.655 4.807 0 40 KJAB CCOc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)c(OC)cc3OC)c2)CC1 102976168 JUUMOCAQCFZNMO-UHFFFAOYSA-N 560.072 4.519 0 40 KJAB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Br)c1OCc1cccc(F)c1 105793524 CIKPCRTZGDAMJH-MTJSOVHGSA-N 511.372 4.946 0 40 KJAB CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(Br)c(C)c1C 107924270 MEKYTDSXMQFBMK-XYOKQWHBSA-N 588.528 4.755 0 40 KJAB O=C(O)c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1C(=O)O 150398962 BGRUZZDYDPVPRJ-UHFFFAOYSA-N 626.833 4.934 0 40 KJAB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Sc3ccc(NC(=O)c4ccc(S(=O)(=O)N(CCOC)CCOC)cc4)cc3)cc2)cc1 150440397 GSYPFUKKVJRDMH-UHFFFAOYSA-N 815.005 4.909 0 40 KJAB CC(C)(C)OC(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O 150447212 SBLVFOLUIRWCFR-NZYKERBTSA-N 993.172 4.997 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c2ccc(C)c(Cl)c2)cc1 215942024 PUMIMOHGYZTNEI-UHFFFAOYSA-N 600.122 4.690 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 222654485 JUIIYETVEDDFMJ-HHHXNRCGSA-N 592.108 4.797 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 222720023 QHQXXKJCIISNKY-JOCHJYFZSA-N 542.529 4.708 0 40 KJAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)NCCSc1nc(-c2ccccc2)n[nH]1 222800619 RDAYTGVUOSKRSD-UHFFFAOYSA-N 558.085 4.522 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 222972745 ALABMVUCCDHMNX-QFIPXVFZSA-N 572.127 4.878 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2cccc3cccc1c23 223227737 WYEBXZRYOPMGAE-MSOLQXFVSA-N 522.443 4.895 0 40 KJAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 223470257 OCGGOAHMYDNLMQ-SANMLTNESA-N 586.552 4.549 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223529937 MOWTZYNMGSCCQB-QFIPXVFZSA-N 542.529 4.644 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223698897 TUZICFXZBGSJEZ-MHZLTWQESA-N 655.814 4.681 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 223738426 XUOQTGZGRQXLCE-FQEVSTJZSA-N 546.064 4.536 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c1 223800607 QQVJNLLOUPPVJZ-VWLOTQADSA-N 607.773 4.992 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 223810447 AUVKQKJUKMLRLP-HHHXNRCGSA-N 557.663 4.884 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 223814896 KUXRIEZNJCVZBY-XMMPIXPASA-N 539.673 4.992 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223821912 ZPDUWKLGLJJPRP-UQBPGWFLSA-N 602.540 4.693 0 40 KJAB 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CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 223689920 JSKGXQWJWZRFJW-LJQANCHMSA-N 578.518 4.751 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223757194 GBKLQGZNXPZQAS-WJOKGBTCSA-N 645.778 4.684 0 40 KJAB COc1ccccc1OCCNC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 223762204 DSHTVSAFDCUMNS-UHFFFAOYSA-N 516.619 4.900 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1 223796660 OJZRODCFHVFNOW-DEOSSOPVSA-N 563.720 4.675 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)c2ccccc2)cc1 223810327 COPUMIQKFGUTLM-DEOSSOPVSA-N 563.720 4.675 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 223814791 BBGGYSYTTZQYGL-AREMUKBSSA-N 533.710 4.712 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 223884159 UIOSRYSLMSNYGH-GOSISDBHSA-N 566.482 4.881 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(Cl)cc1 224116127 JVNKZXWYBUIJRA-VWLOTQADSA-N 572.127 4.878 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 224559945 ZDBUZZHQYHTEFG-AREMUKBSSA-N 564.148 4.761 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224566636 PMCSFOOXVNRMIZ-MHZLTWQESA-N 602.153 4.804 0 40 KJAB Cc1c(Cl)cccc1N(CCCC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 224699685 BTRMNXKDUROCNH-FQEVSTJZSA-N 552.112 4.810 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 224792150 DLPIHQFSZARFNX-OAHLLOKOSA-N 568.445 4.722 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 224991957 WZYBSGAMTSLZKV-DEOSSOPVSA-N 581.735 4.541 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc2c(c1)OCCO2 225023466 YJEFAZPHOSYPSV-NDEPHWFRSA-N 670.626 4.685 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 225097865 VIJVUMXXPBOSHQ-JWQCQUIFSA-N 535.710 4.831 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 225162987 PXXVGYYRVQUICY-NRFANRHFSA-N 522.111 4.528 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 225305332 QMJCZAOQRHVPQU-MUUNZHRXSA-N 571.690 4.596 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)c(Br)c(C)c1 225405239 ZOCXLCRXGINYII-OALUTQOASA-N 505.453 4.785 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 225475890 YOGLASFXONDJPG-RBISFHTESA-N 569.699 4.752 0 40 KJAB COC(=O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c1 225582816 HRWISISSKJCSII-VSGBNLITSA-N 539.661 4.969 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 225585559 ATLYEWZAOIKKHL-HKBQPEDESA-N 675.804 4.611 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c2ccccc2Cl)cc1 225685889 NELMXAGZNDADDG-QHCPKHFHSA-N 556.128 4.828 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 260818270 VCQHUODBTCVDHW-RUZDIDTESA-N 577.747 4.983 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1 260866394 IXRSXZADZQHONU-HHHXNRCGSA-N 556.128 4.579 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C 260952254 JZSRDIORCHDULF-HSZRJFAPSA-N 551.709 4.885 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccccc1C)[C@@H](CC)C(=O)N[C@H](C)CC)S(C)(=O)=O 260973306 MTVFZKYDIAUJOI-NOZRDPDXSA-N 545.746 4.662 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 261119222 YYOJVLHDCIFBQN-IDISGSTGSA-N 618.569 4.909 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccccc4F)S(C)(=O)=O)cc3)cc2)c1 408711247 LWSDLJPEPLGZOO-UHFFFAOYSA-N 613.689 4.862 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3O)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408735760 XCXFPSBHCFMMPM-JUTHHCEFSA-N 713.388 4.668 0 40 KJAB O=C(N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)NC1CCCCC1)OCc1ccccc1 408736916 JRDZBBACJXXTDO-FQEVSTJZSA-N 648.279 4.888 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(SC)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408824834 AYNJIFPODYUZRR-LYPXWFNGSA-N 539.000 4.716 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OC(C)C)c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408927129 OOMLOLXJVCJNID-IGSWSUAKSA-N 573.136 4.969 0 40 KJAB O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1 409058637 UKALJPSYPATGCR-UHFFFAOYSA-N 536.456 4.672 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c(OCC)c3)c(=O)n2[C@H]1c1cccc2ccccc12 409150049 ZBDOUZPIGOOGHP-MKWGYRPRSA-N 654.526 4.963 0 40 KJAB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(Cl)c(O)c(OC)c3)C2=O)ccc1Cl 409166768 FPYRQKKVTCJNFQ-IUXPMGMMSA-N 525.366 4.559 0 40 KJAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)C2=O)cc1 409237519 XEWXFQLQFCVGGO-ZVHZXABRSA-N 548.573 4.656 0 40 KJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)cc(I)c3O)C2=O)cc1 409265907 WUFWVFPBNIFVKD-CHHVJCJISA-N 573.206 4.743 0 40 KJAB Cn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1-c1ccc(Br)cc1 409351073 WAZASZFCZNJMCC-UHFFFAOYSA-N 500.191 4.877 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)O)cc4)c(Br)c3)C2=O)o1 409400771 QUOXFVPKZHFKTP-GRSHGNNSSA-N 589.782 4.852 0 40 KJAB COc1ccccc1CC(=O)N1CCCC[C@@H]2CN(c3ncc(C(=O)O)c(CCc4cccc(Br)c4)n3)C[C@@H]21 585266121 LPMIVLLMZHUJPE-GJZUVCINSA-N 593.522 4.791 0 40 KJAB Cc1nn(CCNC(=O)CN2CCCCCCOc3ccccc3Oc3ncccc3C2)c(C)c1Cl 643576663 BRMHQDKQCDFTSQ-UHFFFAOYSA-N 512.054 4.912 0 40 KJAB COc1ccc(C)cc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCCC1)c1ccc(O)cc1 921237 CGTSJOSMMFQUKR-GDLZYMKVSA-N 527.625 4.677 0 40 KJAB CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O 1374525 CAVGZRROZXLMGZ-RUZDIDTESA-N 518.618 4.926 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 1764986 SFCAMCBREFPCDJ-ZHGFHMGHSA-N 576.678 4.660 0 40 KJAB CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCN(Cc4ccccc4)CC3)CC(=O)N21 2108999 SEQYUZRVTACMGK-ZQAZVOLISA-N 548.687 4.916 0 40 KJAB biogenic O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 2576643 VLVZYXSSBCJYOL-UHFFFAOYSA-N 530.856 4.886 0 40 KJAB COc1ccc([C@@H]2[C@@H](C(=O)OCC(=O)Nc3ccc(C)cc3)CCC(=O)N2c2ccc(OC)cc2)cc1 8686749 PUUSERNCIDZBSW-LBNVMWSVSA-N 502.567 4.678 0 40 KJAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc(I)cc1 8835279 WPTACDFMGMZSDI-UHFFFAOYSA-N 514.348 4.930 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NC(=O)c3ccc(Cl)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2 8876444 PNXIWYSSBIOTTI-NRFANRHFSA-N 522.985 4.769 0 40 KJAB biogenic COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 9063511 CAIWUIUECKILJY-UHFFFAOYSA-N 511.619 4.794 0 40 KJAB COC(=O)c1cc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)ccc1Cl 10370863 OGFZCEJJONNGMV-UHFFFAOYSA-N 507.395 4.999 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C(C)=O 13024634 KHQMKPUAVSDAII-NDEPHWFRSA-N 527.625 4.722 0 40 KJAB CCc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)[C@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 13498481 DINHMJZPGIBFOJ-IAPPQJPRSA-N 514.674 4.698 0 40 KJAB Cc1ccc(CSCCNC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 13680157 SPANQORDHMJSOR-UHFFFAOYSA-N 515.528 4.893 0 40 KJAB CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCN(c2cc(C)ccc2C)CC1 20079745 RSJXAXCCVIATMV-MHZLTWQESA-N 513.690 4.805 0 40 KJAB Cc1ccc(N2C(=O)C[C@@H](N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)c(Br)c1 22790069 HJDHUGAQFNZGOY-RUZDIDTESA-N 518.455 4.797 0 40 KJAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1Cl 59490216 XCHAIUQZSJURQU-UHFFFAOYSA-N 511.358 4.738 0 40 KJAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 59852900 CDZMZVYNROLJHT-UHFFFAOYSA-N 566.101 4.705 0 40 KJAB COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1cc(=O)n2c(C)cccc2n1 89689066 DXSRQIKXWQWVEO-UHFFFAOYSA-N 513.623 4.779 0 40 KJAB O=C(O)[C@H]1CCCC[C@H]1C(=O)N(CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[C@H]1C(=O)O)Cc1ccccc1 97940335 AMLKSPVGNFTLOD-KXSOJQAOSA-N 548.680 4.826 0 40 KJAB CCc1ccc(-n2cc/c(=N/c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)c(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)n2)cc1 97947437 AHAMYCRDNBNHOB-GSCTVASFSA-N 748.928 4.515 0 40 KJAB CC/C(=C(/CC)c1ccc(Oc2nc(N3CC3)nc(N3CC3)n2)cc1)c1ccc(Oc2nc(N3CC3)nc(N3CC3)n2)cc1 100266917 ZNFGRIJDBIWCPD-OCEACIFDSA-N 590.692 4.652 0 40 KJAB Fc1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CCN([C@H](c3ccccc3)c3nnnn3Cc3ccc(F)cc3)CC2)cc1 100435202 JWVIJUNGGXCZLL-MEKGRNQZSA-N 618.696 4.531 0 40 KJAB CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3cccc(OC)c3)C2)c1 101694430 SEVQSSCSEMAEKM-DEOSSOPVSA-N 534.059 4.650 0 40 KJAB Cc1cc(C)nc(-n2nc(C)c(C(c3ccc(C(F)(F)F)cc3)c3c(C)nn(-c4nc(C)cc(C)n4)c3N)c2N)n1 102138500 SMJQUSJBAXFDPH-UHFFFAOYSA-N 562.604 4.852 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(C(=O)OC)c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 105497851 NEGHKHXGCAZGOX-SUAMDDGLSA-N 623.083 4.516 0 40 KJAB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2Cl)Cc2ccccc2)c1 108179451 DKTRPPZCYSVDBU-UHFFFAOYSA-N 509.411 4.840 0 40 KJAB COc1ccc(OC)c(NC(=O)CCCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)c1 108450488 LRNYMPWSLXCQRT-DEOSSOPVSA-N 605.688 4.711 0 40 KJAB biogenic O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 109924111 PTJNADHJCAEJJD-HHHXNRCGSA-N 539.679 4.871 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 215943236 XUALNCOEINUEBM-UHFFFAOYSA-N 594.759 4.755 0 40 KJAB O=C(NCc1ccccc1)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c2ccccc2O1 222701754 COPPADGNCXBMIM-NDEPHWFRSA-N 592.073 4.630 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 222964360 JGQXRKMXVCYIBL-DJVZTSSTSA-N 569.743 4.613 0 40 KJAB COc1ccc(CN(C(=O)CCCN2C(=O)c3cccc4cccc2c34)[C@H](C)C(=O)NC(C)(C)C)cc1 223087229 XDMRLFVEVNXMRZ-HXUWFJFHSA-N 501.627 4.921 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 223230914 ICBFKDKFCALXFG-NRFANRHFSA-N 522.111 4.528 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 223389121 NKRPAJUTLRFJLR-PDDLMNHVSA-N 563.764 4.933 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223582515 RAFPGILZQGQUOA-NDEPHWFRSA-N 595.762 4.931 0 40 KJAB Cc1cc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)ccc1Br 223848793 PHWROYWSBQENED-SFHVURJKSA-N 584.964 4.653 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl 224038342 FVALBPFQMSYNEN-SFHVURJKSA-N 572.555 4.880 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1 224180266 WWAMSVWIQJKHNN-VWLOTQADSA-N 565.736 4.779 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 224185551 KEYMJUFECQJQQX-LJAQVGFWSA-N 599.197 4.736 0 40 KJAB CCOc1ccc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(F)cc2)cc1 224202963 UHZFBHFUTWYUJN-UHFFFAOYSA-N 510.509 4.755 0 40 KJAB COc1cc(OC)cc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224279602 VFZJGTFNUUKMEZ-MUUNZHRXSA-N 518.654 4.946 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224572069 HCHLKTXPMOCKJY-VWLOTQADSA-N 648.178 4.513 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3cccc(CN4CCCC4)c3)Oc3ccc(Cl)cc32)cc1 224625963 CQSFBZXEZOKRAJ-MHZLTWQESA-N 540.085 4.517 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 224762231 GNXMJALPCDRXBF-XMMPIXPASA-N 539.673 4.847 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc2c(c1)OCO2 224859293 MOOBFOFNBOPVOF-LJAQVGFWSA-N 605.757 4.579 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(SC)cc1 225027126 ONTXGPXOZYCHKA-QHCPKHFHSA-N 613.802 4.955 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 225046250 IAAXZTASJSAHKX-DEOSSOPVSA-N 534.122 4.671 0 40 KJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-n1cnnc1 225066485 VICFRYZJJMVZJA-FQLXRVMXSA-N 564.675 4.597 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 225154284 LFMMQOUIMCCQOU-NRFANRHFSA-N 618.127 4.779 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225210938 DBGJAIBVZAIAGC-AREMUKBSSA-N 602.153 4.886 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 225277956 PMKGWSIOININBC-HHHXNRCGSA-N 574.118 4.802 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 225351565 RAMBEVFNDKRPSF-JWQCQUIFSA-N 565.736 4.839 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 225581742 ZHAYBJQPNFBFOJ-JYFHCDHNSA-N 529.747 4.880 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225638948 FRXOBEWCJNABDV-AREMUKBSSA-N 576.546 4.926 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(Br)cs1 225659973 KWVOHJKNOHKLDZ-LEWJYISDSA-N 517.474 4.916 0 40 KJAB CCN(c1ccc2sc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)cc2c1)S(=O)(=O)c1ccc(OC)cc1 225856517 XBNCZIPKNAPXSO-UHFFFAOYSA-N 587.745 4.936 0 40 KJAB COc1ccc(-c2nn(-c3ccccc3)cc2C=c2sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1[N+](=O)[O-] 254710988 RQVORRUDUBLHTO-VNGZERMVSA-N 548.584 4.639 0 40 KJAB Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CCCN(Cc3ccc4[nH]ccc4c3)C2)ccc1Cl 257327330 XAYPPCJMQALOJW-GDLZYMKVSA-N 509.094 4.955 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 260733753 KTCYJNDXNVIVPG-JOCHJYFZSA-N 572.127 4.794 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 260775787 IBMDVJLWUKRWHG-XMMPIXPASA-N 593.746 4.684 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 260799721 QGHNMVSWVVVDJN-GOSISDBHSA-N 572.555 4.880 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 260891907 CXSWFBKUJQFJEG-YWEHKCAJSA-N 595.762 4.930 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 260993563 QKFABLCQHMXGQK-DHLKQENFSA-N 515.720 4.607 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 261074443 QFBYRBCVHLRJJB-LXFBAYGMSA-N 570.155 4.969 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2 408606646 LEVQXDLGSFLNNA-UHFFFAOYSA-N 558.678 4.573 0 40 KJAB CCOC(=O)COc1ccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)O)cc1OC 408631273 CWJVQZGNIFJRPW-GRSHGNNSSA-N 520.947 4.567 0 40 KJAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1)Nc1ccccc1 408686346 SGFNMKHUKDHLSU-QYVRTBTHSA-N 528.564 4.879 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccccc3F)c(=O)n2[C@H]1c1ccc(F)cc1 408806629 FXRXHMZCPFBGIH-BIWBSIMWSA-N 576.621 4.664 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408831497 OBJYXMOLXJPPNA-LJJBLSSYSA-N 529.083 4.572 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(OCc5ccc6c(c5)OCO6)cc4Br)c(=O)n32)cc1OCC 408948359 RHNRMHQIMXNXGY-CHTWILNTSA-N 723.598 4.894 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@@H]1c1ccc(SC)cc1 409121449 VFOZIMOKJTWNRM-KZYHYKASSA-N 646.588 4.767 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)c2ccccc2)cc1OC 409168389 QXDAZEXUZSEMRA-UHFFFAOYSA-N 609.726 4.955 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3c(F)cccc3Cl)c(OC)c2)N2NC=NC2=N1 409176327 KQPDXVQSRVGLII-QHCPKHFHSA-N 500.958 4.943 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(-c4ccccc4C(=O)OC)o3)c2=O)=N1 409191602 IXHSZGPMSGTEHV-RYOBIWAXSA-N 586.666 4.634 0 40 KJAB O=C(CN1C(=O)N/C(=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)C1=O)Nc1ccccc1F 409208245 BJQKTLJGGOPWRL-CIAFOILYSA-N 542.336 4.838 0 40 KJAB Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@H]2C(=O)N(c3cc(C)ccc3C)C(=O)[C@H]12 409333640 KZQCPQAXGXMWHA-ONUFWSPISA-N 507.542 4.862 0 40 KJAB CCOc1cc([C@H]2CC(=O)N=C3N=CNN32)cc(I)c1OCc1ccc(Cl)cc1Cl 409385853 KMIQMRKMCJUSBD-MRXNPFEDSA-N 559.191 4.752 0 40 KJAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)cc1OCc1ccc2c(c1)OCO2 409398228 CAXNBRCRDRZTPA-OCKHKDLRSA-N 599.390 4.628 0 40 KJAB COc1ccc(CCNC(=O)[C@H](Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)C(C)C)cc1 504564932 DCYSXYQLGOWCTF-QVWWMRLHSA-N 617.743 4.667 0 40 KJAB biogenic Cc1ccc(Cn2c(=O)c3ccc(C(=O)NC(C)C)cc3n3c(SCc4ccc(F)cc4)nnc23)cc1 575615323 GWJBWQXHXFHFKA-UHFFFAOYSA-N 515.614 4.971 0 40 KJAB COC(=O)c1ccc(NC(=O)CC[C@@H](C)[C@H]2CC[C@@H]3[C@@H]4[C@H](C[C@H](O)[C@@]32C)[C@@]2(C)CC[C@@H](O)C[C@H]2C[C@H]4O)cc1 1889191868 BMJUCCRDGCHIRL-HUVSIIQXSA-N 541.729 4.789 0 40 KJAB COc1ccc(-c2coc3cc(OC(=O)COCCOC(=O)COCCOCCOCC(=O)OCCOCC(=O)Oc4cc5occ(-c6ccc(OC)cc6)c(=O)c5cc4OC)c(OC)cc3c2=O)cc1 2061000668 IEZZQPBEGTTYEN-UHFFFAOYSA-N 986.929 4.948 0 40 KJAB COc1ccc2cc(CN(Cc3ccc(F)cc3)C(=S)NCCc3ccc(OC)c(OC)c3)c(=O)[nH]c2c1 879815 HZKJRXXVCUGFIY-UHFFFAOYSA-N 535.641 4.812 0 40 KJAB COc1ccc(CCNC(=S)N(Cc2ccccc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1OC 1224254 ARIAKHZLUSCPGB-UHFFFAOYSA-N 501.652 4.973 0 40 KJAB COC(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCCC4)cc1 1465553 XIDXPPVTTSRHOK-UHFFFAOYSA-N 519.648 4.903 0 40 KJAB COc1ccc(CN2C(=S)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccc(Br)cc2)cc1 2234818 KSTWYQSXXBIEAP-JOCHJYFZSA-N 524.440 4.989 0 40 KJAB CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 4122789 XASHHDABOKCGTG-UHFFFAOYSA-N 523.058 4.828 0 40 KJAB O=c1nc(C2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)[nH]c2c1nnn2Cc1c(Cl)cccc1Cl 6161814 WWTWHHZLISPXGD-UHFFFAOYSA-N 569.474 4.591 0 40 KJAB COc1ccc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2-c2ccccc2)c(OC)c1 6194627 LXLDYNIVLWQHRG-UHFFFAOYSA-N 522.656 4.714 0 40 KJAB O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)N(Cc1ccc(F)cc1)Cc1ccco1)OCO3 6445868 SQVHCNDHZGFANS-HHHXNRCGSA-N 542.571 4.882 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 8451445 YJNYGSOTJMFOTR-SUAMDDGLSA-N 623.083 4.817 0 40 KJAB CCCCOc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C(=O)c3ccccc3)CC2)c1 9933665 FYDOWQSAJPXUFT-UHFFFAOYSA-N 515.610 4.867 0 40 KJAB O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2cccc(Cl)c2)[C@H]2CSCN2[C@]12C(=O)Nc1ccccc12 16010119 PDGHWJAKXKHZBB-WFRMBSLRSA-N 504.995 4.888 0 40 KJAB CCCCNC(=O)c1ccccc1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 19856786 MORVSPWXHVQDTL-UHFFFAOYSA-N 507.656 4.976 0 40 KJAB CCOc1ccccc1-n1c(SCC(=O)c2ccc(C)cc2)nc(O)c([C@H]2NCCc3ccccc32)c1=O 20289793 SNQWHZVVKFZGKW-MHZLTWQESA-N 527.646 4.855 0 40 KJAB O=C(Nc1ccc(Cl)cc1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccccc3CN3CCOCC3)c(=O)n1C2 20503626 KEOATFFITLNUAL-RBBKRZOGSA-N 519.045 4.652 0 40 KJAB biogenic,in-vitro COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 21123643 DPOWRDQAFRABIY-FARCUNLSSA-N 502.320 4.865 0 40 KJAB CN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2-c2nc3ccccc3s2)C1 23153845 BRICWRQVWZTVNC-UHFFFAOYSA-N 512.682 4.515 0 40 KJAB O=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 23989403 MJCDMRIREYMBQU-UHFFFAOYSA-N 525.674 4.713 0 40 KJAB O=C1N[C@@H](c2ccc(-c3ccc(Br)cc3)o2)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 27025613 YQNFHGNEPXUQMR-LVCYWYKZSA-N 509.278 4.813 0 40 KJAB O=S(=O)(c1ccc(Br)cc1)N1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1 33010837 PZZBYZXHZLTRQW-UHFFFAOYSA-N 509.429 4.570 0 40 KJAB O=C1C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2c(nc(Nc3cccc(C(F)(F)F)c3)[nH]c2=O)N1 40400278 FGUKFORHLACCRJ-AWEZNQCLSA-N 512.275 4.904 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCC[C@@H](C)C4)cc3)cc2)c(OC)c1 44845711 FKJCJAIXOHEARQ-HXUWFJFHSA-N 523.655 4.989 0 40 KJAB CC(C)COc1cccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)c1 57316699 VJHKQQMRQVKRJS-UHFFFAOYSA-N 503.949 4.768 0 40 KJAB CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1)c1nc2ccc(OC)cc2s1 60209687 NSCCSILAAIBZHX-SFTDATJTSA-N 558.770 4.960 0 40 KJAB COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cn(-c4ccccc4)nc3-c3ccsc3)C2)cc1OC 69375004 VQWJQFHJKGUSNS-JOCHJYFZSA-N 508.625 4.729 0 40 KJAB O=C(Nc1ccccc1O)c1ccc2c(c1)C(=O)N(c1cccc(N3C(=O)c4ccc(C(=O)Nc5ccccc5O)cc4C3=O)n1)C2=O 97994444 ZCCQVUKKOCBSEW-UHFFFAOYSA-N 639.580 4.599 0 40 KJAB COc1ccccc1CNc1nc([C@@H](C)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2ccccc12 100035669 CQROMDJEIQUVAN-HXUWFJFHSA-N 552.100 4.971 0 40 KJAB COc1ccc(NC(=O)CN2C(=O)C[C@@H](c3cc(OC)c(OC)c(OC)c3)Sc3ccccc32)cc1OC 100833568 JLILRYWWYIYIER-VWLOTQADSA-N 538.622 4.938 0 40 KJAB CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3c2ccc(C)c3C)[C@@]12C(=O)Nc1ccccc12 102669545 QEBRGKUXJSEWSI-IHAJHMTMSA-N 521.617 4.717 0 40 KJAB O=C1[C@H]2[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)N(c3ccccc3)O[C@H]2C(=O)N1Cc1ccccc1 102746978 QEPGGZRGNWTYNB-UPRLRBBYSA-N 540.597 4.501 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(Cn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)cc2)CC1 102755361 AUPKVARISWYUEV-UHFFFAOYSA-N 549.052 4.760 0 40 KJAB CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc(Br)c1O 102766613 KNNPXRVDEKMFOZ-FUPPJEDESA-N 527.346 4.744 0 40 KJAB COc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)cc1 102910317 FGOAUIHOYDBLAU-UHFFFAOYSA-N 556.541 4.760 0 40 KJAB O=C(COC(=O)CSc1ccc2ccccc2c1Br)Nc1cc(Cl)ccc1S(=O)(=O)N1CCOCC1 102931257 PJIKTZZWNKLIHF-UHFFFAOYSA-N 613.939 4.551 0 40 KJAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)ccc1N1CCOCC1 103011791 OGTHXIAITHYMQQ-UHFFFAOYSA-N 590.658 4.739 0 40 KJAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(OCc3ccccc3F)c(OC)c2)c1 103559994 QSPGKGVPJBDQFK-MHZLTWQESA-N 545.571 4.950 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)ccc3Br)c(=O)n2[C@@H]1c1ccccc1 103862971 VOQNZFKFROUQFF-LMTOTAIGSA-N 575.484 4.707 0 40 KJAB COc1ccc(NC(=O)[C@@H](Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)C(C)C)c(OC)c1 108449857 YRLJJVQXUILOLF-DLLPINGYSA-N 619.715 4.955 0 40 KJAB biogenic COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Cl)cc4)c(=O)n32)c1 111468508 OOZUDIFJQACEAO-LWUPDDLQSA-N 516.022 4.536 0 40 KJAB O=C(O)c1ccccc1C(=O)Nc1ccc(S[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 112234309 SEDUOIRTUVMPSR-FQEVSTJZSA-N 525.380 4.824 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 214236496 YOIBSSOYINHGLW-VCHYOVAHSA-N 571.364 4.617 0 40 KJAB COc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C(=O)N1CCOCC1 216484836 VDCLLRLEZHCXAQ-UHFFFAOYSA-N 551.665 4.518 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O 222602846 KKQDSCKKZPMHLM-MHZLTWQESA-N 574.118 4.657 0 40 KJAB C[C@@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 222710627 NDKLVBSAIACCDO-QHCPKHFHSA-N 575.662 4.739 0 40 KJAB Cc1cccc(CN(C(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1 222733016 HRGWUJFXGFWYIU-NRFANRHFSA-N 536.138 4.835 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223039420 RLVZBGYWUVFNKJ-JOCHJYFZSA-N 536.138 4.837 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 223099024 HHRHWBNGMSYHDQ-JOCHJYFZSA-N 556.128 4.910 0 40 KJAB O=C(NCc1ccc(Cl)cc1)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223294294 PAUKJDRPKOISAC-XIFFEERXSA-N 648.181 4.826 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 223507924 XQZOXDGVWNNGCI-QHCPKHFHSA-N 521.683 4.559 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 223695222 ACDFOFAQYAWHKR-HXUWFJFHSA-N 546.064 4.536 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 223951331 XMJWKCZWSKQUQS-LJQANCHMSA-N 542.529 4.710 0 40 KJAB Cc1ccc(C)c(OCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)c1 224053623 CRFNWQQYXJDAPJ-UHFFFAOYSA-N 503.045 4.739 0 40 KJAB CCc1ccc(OCCNC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(C(C)(C)C)ccc3O2)cc1 224522238 BFFRPCKKBVXTLK-NDEPHWFRSA-N 552.693 4.707 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 224525732 KSVWAYVIUUIWHL-MHZLTWQESA-N 616.578 4.905 0 40 KJAB Cc1cc(I)ccc1N(CCCC(=O)NCCOc1ccc(C(C)(C)C)cc1)S(C)(=O)=O 224836130 BCDQWPNYUGFUJS-UHFFFAOYSA-N 572.509 4.639 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 224886245 PIWBSPNFNLFRCZ-SSEXGKCCSA-N 595.762 4.787 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(I)cc1 224953501 JEGUAXXBFPVPFN-VWLOTQADSA-N 574.434 4.974 0 40 KJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)ccc2Cl)c1C 224994460 VTFMFFXYFXYHKZ-UHFFFAOYSA-N 500.020 4.847 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 225108216 MUZJTQTYNVGNNA-AREMUKBSSA-N 551.709 4.533 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 225110883 VRRAGUSAFUDHFQ-HKBQPEDESA-N 591.774 4.723 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225122273 MCORAESQNPNIDK-XMMPIXPASA-N 552.137 4.537 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 225125234 PQEOXOQNFXOMNY-MHZLTWQESA-N 606.572 4.933 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 225141252 WTSYVAFIKSZISF-JOCHJYFZSA-N 572.127 4.878 0 40 KJAB COc1ccccc1OCC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC1CCCCC1 225176423 AZRWVICZTHCQGJ-GOSISDBHSA-N 503.437 4.703 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 225188247 VBLBTOKCTQPOKX-FQEVSTJZSA-N 578.573 4.644 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)cc1 225221999 KRPXOWYEVNLJFR-UIOOFZCWSA-N 501.587 4.773 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 225260851 JMWMEUSGXJVXBP-MUUNZHRXSA-N 569.699 4.672 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 225271306 MOSLBKYEABENRP-QHCPKHFHSA-N 540.101 4.667 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 225363646 IOCYBEWEZXTIGY-FCHUYYIVSA-N 602.153 4.885 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 225425704 GMWHKSYEIRWGOJ-DHIUTWEWSA-N 556.128 4.910 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 225463233 NKCSMYDFJAFMEV-QFIPXVFZSA-N 572.127 4.876 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 225465489 DKZWGIVQYBREMO-KYWVCFRISA-N 565.780 4.862 0 40 KJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccco3)c2C)cc1NS(C)(=O)=O 225475027 PNYHAAVDAOVQDF-CLJLJLNGSA-N 551.694 4.698 0 40 KJAB Cc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O 225602273 JRPXKOTZFYUABM-INIZCTEOSA-N 548.920 4.663 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1cccnc1 225663488 VREJYPMQSXRHCO-SXOMAYOGSA-N 512.639 4.586 0 40 KJAB Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(CCCN2CCOCC2)c1C 225683964 XTOOLGTTXYPZNV-KYJUHHDHSA-N 560.768 4.532 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)cc1 260899241 NTSLZADRWHIJPO-RUZDIDTESA-N 565.736 4.779 0 40 KJAB CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 260984929 OTLCSIWIXKSCMO-LOSJGSFVSA-N 625.788 4.672 0 40 KJAB 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CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408983961 LMFNZQWDXKLSQV-VEOZPNHKSA-N 591.085 4.615 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4F)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408986162 LZCCLCKRVLBGHG-OIUASMPBSA-N 632.710 4.932 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409001661 QBTZGLNTUDPVJY-HZHYMEEXSA-N 684.577 4.976 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 409002166 YLIFFMRMBOFOFH-CLNXTWJPSA-N 566.679 4.830 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccccc4)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409031761 AYMVUUKILYLYTA-FABFSAKGSA-N 628.703 4.541 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)c(Br)o4)c(=O)n32)cc1 409035674 PYCNVBDIKBVECN-BUDOKORBSA-N 610.324 4.704 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(C)c4ccccc34)c(=O)n2[C@H]1c1cccc2ccccc12 409044024 ALPYLOHFBYVSJV-RGFRMHDHSA-N 521.642 4.752 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Sc4ncccn4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 409100367 VKKTZLFDVYPEGQ-XOYGFPHKSA-N 657.568 4.502 0 40 KJAB COc1c(I)cc(/C=C2\Sc3ccccc3NC2=O)cc1I 409102323 YULIZZMCZGOJGD-ZSOIEALJSA-N 535.144 4.990 0 40 KJAB CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Cl)cc1 409257371 OFVNYEVLYKRJJQ-UHFFFAOYSA-N 530.046 4.713 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C 409350987 VEDZZVVORVPVHV-HXUWFJFHSA-N 516.023 4.508 0 40 KJAB CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(Cl)cc3Cl)n2C)c1 409357359 QBRSOFVZFNFVIK-CQSZACIVSA-N 550.468 4.909 0 40 KJAB O=C(NS(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)c1cc2ccccc2n1CCOc1ccccc1 585270441 WWGOMDRBSTYJOK-VWLOTQADSA-N 575.687 4.829 0 40 KJAB CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc(-c2nnn(C)n2)cc1 604404769 KJVGHWFOWURGGX-JSXXVDJESA-N 655.756 4.519 0 40 KJAB biogenic O=C1CCCOc2ccccc2CCCCC2(CCN(C(=O)c3ccccc3Cn3ccnc3)CC2)CN1 643562674 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O=C(Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccccn2)C3=O)cc1)c1ccc2c(c1)C(=O)N(c1ccccn1)C2=O 6475572 OLSGMQWEVHYHCT-UHFFFAOYSA-N 610.538 4.516 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 8400198 CIJDNBGAOIGRMH-CCVBWGSMSA-N 667.534 4.625 0 40 KJAB COc1ccc(NC(=O)C2(N(Cc3cccnc3)C(=O)CN3C[C@@H](c4ccccc4)NC3=S)CCCCC2)cc1 8695919 XZZUGMFNLIASLY-MHZLTWQESA-N 557.720 4.692 0 40 KJAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c2)N3)C1 8928028 KXUJQXAURFLQAG-DEOSSOPVSA-N 523.611 4.800 0 40 KJAB COCCCN(CC(=O)Nc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 12631786 XJQPMRXWYOKYNN-UHFFFAOYSA-N 514.475 4.650 0 40 KJAB COc1ccc(N(C(=O)CCC(=O)Nc2nccs2)[C@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 13501788 HLUMAROPDKTNCE-QHCPKHFHSA-N 512.607 4.699 0 40 KJAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 14225006 HZSIAQYERRZJLC-UHFFFAOYSA-N 514.412 4.553 0 40 KJAB O=S(=O)(Nc1ccc(Cl)cc1)c1cc(NC(=S)NC[C@@H]2CCCO2)ccc1N1CCCCC1 14360397 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KJAB COc1ccc(N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl 35146245 OHECITYKZXYUSQ-UHFFFAOYSA-N 507.052 4.868 0 40 KJAB COC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCCC2 59651481 FTMSWULXHATBHY-UHFFFAOYSA-N 558.678 4.573 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(Br)cc1 59834254 PBTPVAGPNMRWFX-PGRDOPGGSA-N 531.472 4.533 0 40 KJAB CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)c1nc2c(OC)ccc(OC)c2s1 60210338 QMHJYLZZGSHLCF-FQEVSTJZSA-N 574.769 4.865 0 40 KJAB CC1(C)[C@@H](C(=O)N[C@@H](N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(Cl)(Cl)Cl)[C@@H]1C=C(Cl)Cl 72332831 KUHHFYZRWGDWMX-CJOZWWGPSA-N 527.707 4.671 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(Cc3ccc(N4CCCC4=O)cc3)C2=S)cc1 97995412 PNFJNAOJTQCPLQ-SANMLTNESA-N 570.671 4.521 0 40 KJAB CCOc1ccc(N(CC(=O)NCCCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 100078914 NETQJTFCKWNRIX-UHFFFAOYSA-N 531.472 4.792 0 40 KJAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2c1 100354875 FAUBXPJKRZBEGW-NDEPHWFRSA-N 589.622 4.696 0 40 KJAB CCOc1ccccc1[C@H](C(=O)NC(C)(C)CC)N(CCc1ccc(OC)c(OC)c1)C(=O)Cn1nnc2ccccc21 100356304 FYFDLWIYQBLGLI-WJOKGBTCSA-N 587.721 4.965 0 40 KJAB COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)CNC(=O)c2cccs2)c2cccc3ccccc23)cc1OC 100414087 KYDXJUIMICVUKU-JHOBJCJYSA-N 587.698 4.718 0 40 KJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@H]3C2=O)cc1 100919354 SLFHHAKBDIOKSZ-FSSWDIPSSA-N 517.994 4.912 0 40 KJAB C[C@@H](C(=O)Nc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1ccsc1NC=O 101279274 AZUQAISBQMWHKJ-CQSZACIVSA-N 605.462 4.825 0 40 KJAB COc1cccc([C@H](CNC(=O)C[C@@H](NC(N)=O)c2ccc(Br)cc2)c2c[nH]c3ccccc23)c1OC 102812002 LHQIKJPPJRFIAL-LADGPHEKSA-N 565.468 4.995 0 40 KJAB COc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CC(=O)O)C(=O)[C@H]45)[C@H]23)ccc1OCc1ccc(Cl)cc1Cl 150485800 NBCFFWVYBFDYMF-VUZMMVIESA-N 647.558 4.889 0 40 KJAB CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)O 169722875 FTDLWHRKZBSRBL-UIOOFZCWSA-N 565.667 4.664 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 197942144 SHYFSZCUODBZMK-UHFFFAOYSA-N 632.082 4.986 0 40 KJAB CCOc1ccc(N(CC(=O)NCc2ccccc2-n2ccnc2C)S(=O)(=O)c2ccc(Br)cc2)cc1 216452568 YRKUQBBOLWDAPE-UHFFFAOYSA-N 583.508 4.854 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 222418209 YPHDVAMVZSIZAS-MUUNZHRXSA-N 551.709 4.531 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 222456873 SAELQVIGUSNAFX-JOCHJYFZSA-N 542.101 4.624 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 222624512 JDKDZFWBUSWBCS-NDEPHWFRSA-N 614.606 4.998 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 222930886 IXLMEDISYSAESZ-RUZDIDTESA-N 572.525 4.506 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223023951 NKIQPKFXKAHZHN-VWLOTQADSA-N 565.736 4.674 0 40 KJAB 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4.996 0 40 KJAB Cc1ccc(-c2nnc(Nc3ccc4c(c3)OCO4)c3ccccc23)cc1S(=O)(=O)NC[C@H]1CCCO1 16945903 ZSASFHBLTAYLFZ-HXUWFJFHSA-N 518.595 4.535 0 40 KJAB COC(=O)c1cccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1C 19856770 CVDBABAHZFDXSH-UHFFFAOYSA-N 507.395 4.922 0 40 KJAB O=C(c1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1)N1CCN(c2ccc(Cl)cc2)CC1 20494678 KWFNTWWMMYWZHT-UHFFFAOYSA-N 523.464 4.918 0 40 KJAB O=C(COc1ccccc1)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 21796489 SKTOUGIMWZPDBO-UHFFFAOYSA-N 507.569 4.954 0 40 KJAB COc1ccc(CNC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@H]4[C@H](C[C@H](O)[C@@]32C)[C@@]2(C)CC[C@@H](O)C[C@H]2C[C@H]4O)cc1OC 72326132 YGAIPXBEAHZWNC-NWQYTEARSA-N 557.772 4.698 0 40 KJAB biogenic O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(Cl)cc1 97995461 HWACPDHNOMJPTH-XMMPIXPASA-N 533.053 4.998 0 40 KJAB CCOc1cc(/C=C2\N=C(c3ccc(I)cc3)OC2=O)cc(I)c1OC(C)=O 100044571 XKLHMAMBQZNFOZ-SXGWCWSVSA-N 603.150 4.564 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3ccc(F)c(Cl)c3)[C@@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)cc1 100288965 DCRABTAAETZZAG-HHHXNRCGSA-N 563.033 4.980 0 40 KJAB CCOC(=O)C(=O)n1cnc2ccc(C(=O)Nc3cc(OCC)c(NC(=O)c4ccc(F)cc4)cc3OCC)cc21 100355322 DCQJINZVBJGMKX-UHFFFAOYSA-N 562.554 4.681 0 40 KJAB COc1cc(OC)cc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2cc(C)ccc2C)c1 100364983 XGFJJUOJPOBRGY-PMERELPUSA-N 541.652 4.899 0 40 KJAB Cc1ncc(CO)c2cc(-c3nc(-c4ccc(Cl)cc4)cs3)/c(=N/c3ccc(S(N)(=O)=O)cc3)oc12 101148297 JJQSKOZVEVYOTD-OLFWJLLRSA-N 539.038 4.952 0 40 KJAB CC(C)CCNC(=O)c1ccc(Cn2c(SCC(=O)NCc3ccc(F)cc3)nc3ccccc3c2=O)cc1 101832115 MVLKFVSSZUKJEI-UHFFFAOYSA-N 546.668 4.768 0 40 KJAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1)c1ccc(OCc2ccccc2)cc1 102085861 XKEYAQVDDHOFAE-LRJNUVTISA-N 533.580 4.863 0 40 KJAB O=C(c1cccs1)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1N(Cc1ccccc1)C(=O)c1cccs1 102908579 SMDGFZULGLDLJJ-DNQXCXABSA-N 550.727 4.960 0 40 KJAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)c1 103017030 NKBKLLAQZKJPHW-UHFFFAOYSA-N 581.672 4.582 0 40 KJAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(OC)cc2)sc2c1CCN(Cc1ccccc1)C2 103077977 LUFAHTMWBASCQQ-GOSISDBHSA-N 578.720 4.587 0 40 KJAB CC1(C)[C@@H](C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)C[C@@H]1CC(=O)NC(=S)NC1C2CC3CC(C2)CC1C3 104799644 OPAMCRVRTGSHGC-YDOZYNPDSA-N 570.869 4.814 0 40 KJAB Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)c1 105666009 LCMCVNQSUHLCAJ-GOSISDBHSA-N 536.075 4.551 0 40 KJAB COc1ccccc1CNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C 108450659 GMGYXPXTMOCFDD-FKAPRUDGSA-N 603.716 4.625 0 40 KJAB biogenic CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 112246874 CCLGWEMSSJYGPH-UHFFFAOYSA-N 580.128 4.522 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(COc4ccc(I)cc4)c3)c(=O)n2[C@@H]1c1ccccc1 150632513 XUEHQLHLUREWJI-QTTRZTASSA-N 652.510 4.600 0 40 KJAB O=C1[C@H]2N=NN(CC(=O)N3N=C(c4ccc5ccccc5c4)C[C@@H]3c3ccccc3)[C@@H]2C(=O)N1c1ccccc1 200200100 OYFMNMRXCUEVHE-FGUUHEIUSA-N 528.572 4.511 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 222615501 QZZQXPRPXAQLME-SHQCIBLASA-N 529.747 4.614 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 222624674 MCQNYUKZGFUTTP-MHZLTWQESA-N 614.606 4.899 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O 222730781 NPYXPQJSMDXWBA-VWLOTQADSA-N 552.458 4.756 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222762677 ATEPOTDVLWBAHJ-QHCPKHFHSA-N 553.700 4.970 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 222845288 XWWHXBNCNHFONT-HHHXNRCGSA-N 618.569 4.767 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223026882 SSCISOPVIYKSOF-OAQYLSRUSA-N 552.137 4.537 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(Cl)cc1Br 223068330 AZPXVYHXCCZIBQ-CYBMUJFWSA-N 532.660 4.797 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223149455 KTSPHCDDOOEOHF-QFIPXVFZSA-N 572.127 4.878 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 223251115 WDKNPRHYEUWYDE-QFIPXVFZSA-N 557.663 4.802 0 40 KJAB COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1 223286341 BVDVNCBDGUYRPI-NSOVKSMOSA-N 521.057 4.826 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 223558188 WSWBRQQTUUIPJI-OAQYLSRUSA-N 546.492 4.621 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 223564500 NTJGDBKSQZZWFI-RUZDIDTESA-N 636.996 4.653 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 223633603 CYHZORQEYIDWMU-MHZLTWQESA-N 565.736 4.921 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223837290 HZGWTVVPODKRHC-IBGZPJMESA-N 548.492 4.742 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O 223916278 UEQKZQZRMTVRKL-GOSISDBHSA-N 542.529 4.655 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 223988435 RIRNFSWRVMUJAH-INIZCTEOSA-N 560.931 4.889 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224222026 UCNWPJQVNSORLW-LJAQVGFWSA-N 621.800 4.867 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 224271998 SMOQRVFJKHINKH-SANMLTNESA-N 542.101 4.787 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 224300187 RXVNIYDYESUDDN-MHZLTWQESA-N 586.154 4.669 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 224324671 VMZFIJVVQUSRIS-MUUNZHRXSA-N 583.726 4.547 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1)c1cccc(Cl)c1Cl 224561580 LPOKSDONZFYRBR-UHFFFAOYSA-N 562.519 4.722 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224808027 DVYLUYARYWOWPG-MHZLTWQESA-N 574.118 4.718 0 40 KJAB O=C(NCc1ccccc1CN1CCCCC1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 224826807 FGXRQLZYORGVDH-UHFFFAOYSA-N 504.096 4.821 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc(F)c1 224904715 AJZUOJTUACLQCX-NDEPHWFRSA-N 586.129 4.944 0 40 KJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 225047658 IMNLNGIISLGPTK-VWLOTQADSA-N 565.736 4.575 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 225216575 HBPAOQUJYYBJLF-DHIUTWEWSA-N 569.699 4.670 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 225233840 LXCQMGAGXPEFNC-PMERELPUSA-N 561.748 4.850 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 225244820 QYKTYZTURJKAMJ-JOCHJYFZSA-N 616.578 4.987 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 225335425 JDJCNOLYXLQQOH-LJAQVGFWSA-N 539.676 4.928 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 225343288 GPPUOXZAVVWSFH-HSZRJFAPSA-N 542.529 4.710 0 40 KJAB CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)cc1 225435035 UIYCPTIQQOHCFW-SXOMAYOGSA-N 563.705 4.828 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 225507078 CLUCDKQHMQLZQJ-DEOSSOPVSA-N 582.044 4.511 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 225573470 ILCSVTMCNNOHDG-SHQCIBLASA-N 529.747 4.880 0 40 KJAB CS(=O)(=O)N(CCCC(=O)NCCSCc1c(Cl)cccc1Cl)c1ccc(F)c(F)c1 225625633 XNGNYNWRMWVLHS-UHFFFAOYSA-N 511.443 4.867 0 40 KJAB Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)O)cc2)c1 225653399 MIPRKUMAGISDTM-RRPNLBNLSA-N 525.634 4.880 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 225672790 MDRAGRYGUGTAPN-SVBPBHIXSA-N 513.623 4.588 0 40 KJAB O=C(NCc1ccccc1)[C@@H]1CN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c2ccccc2O1 226005596 DCIHSXRGWFCYKK-PMERELPUSA-N 648.579 4.793 0 40 KJAB CNc1nc(-c2ccc(OC)c(NC(=O)COc3ccc(S(=O)(=O)N[C@H](C)c4ccccc4)cc3)c2)cs1 226087357 WBHINWUZLPQNHT-GOSISDBHSA-N 552.678 4.917 0 40 KJAB O=C(O)c1ccc(-c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2Br)o1 226352961 KDYPTKPRTVIZIG-UHFFFAOYSA-N 501.152 4.971 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)c2ccc(Cl)cc2)cc1OC 260710271 CDVYHEUXMIJWCS-HXUWFJFHSA-N 606.116 4.634 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 260755867 DPQZNXIPRBLDGN-XMMPIXPASA-N 565.736 4.839 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC2CCCCC2)c2ccccc2)cc1 260772236 GVGANOYLAFWCMV-XMMPIXPASA-N 593.746 4.765 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)[C@H](C)C(=O)NC1CCCC1 260819715 XIGWHWSNSCGVFU-HSZRJFAPSA-N 551.684 4.806 0 40 KJAB Cc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 260871904 KWASGZPHLDELHL-HHHXNRCGSA-N 574.118 4.718 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O)[C@H](Cc1ccccc1)C(=O)NC(C)C 260889481 QUDCGGWKCHHKQD-MUUNZHRXSA-N 570.155 4.888 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1Cl 260895141 SKOBUXMAMLNOHW-HXUWFJFHSA-N 576.090 4.625 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 260955247 KIKRWRJNCDNQHC-VXKWHMMOSA-N 616.578 4.985 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 261041737 YTYCPTBYYNUFNJ-RPWUZVMVSA-N 611.761 4.548 0 40 KJAB Cc1ccc(CN(c2ccc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)S(C)(=O)=O)cc1 408626855 XVWGTBBELBTPPU-UHFFFAOYSA-N 531.600 4.942 0 40 KJAB CCOc1ccccc1N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc(SC)cc1 408629747 HFMOBEJQQIVKLS-FMIVXFBMSA-N 565.761 4.860 0 40 KJAB COc1c(I)cc(I)cc1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)O 408632647 GHMBNFZURBTRQI-AUWJEWJLSA-N 578.169 4.999 0 40 KJAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)c(C)c2)CC1=O 408668739 QZDMONZLOWHHFR-RGTQVDHISA-N 538.644 4.636 0 40 KJAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408686374 SHJWLLKOQLNQTM-LYBMHKGZSA-N 585.616 4.837 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(F)c4)cc3)c(=O)n2[C@@H]1c1ccccc1OCC 408739320 VLEXRQSQHIFIDZ-LAUBZIAYSA-N 572.658 4.915 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 408861036 LIIHXYIJYTWCHI-IPAKXIGBSA-N 679.147 4.755 0 40 KJAB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Br)s4)c(=O)n32)c1 408863908 VIXKLCIXQMENIV-YSSBIZNGSA-N 566.502 4.707 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)cc(I)c1O 409176556 RCZUIDKQWCSLOR-WOJGMQOQSA-N 552.390 4.633 0 40 KJAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(Br)cc1C 409365889 ZJRBYPSCVTXEOY-UHFFFAOYSA-N 502.438 4.589 0 40 KJAB Cc1nc(C2CC2)ncc1C(=O)N1CCN(C(C)C)CCCN(C(=O)c2ccncc2)c2ccc(F)cc2C1 643567311 YLLRSPJKYWQIDY-UHFFFAOYSA-N 530.648 4.600 0 40 KJAB COc1ccc(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)c2ccc(OC)c(Br)c2)cc1Br 673662 BNZAIEBXPAQRIX-ROUUACIJSA-N 540.252 4.700 0 40 KJAB CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)o2)cc1 901287 ONFOICRNHONAJZ-MUUNZHRXSA-N 515.614 4.955 0 40 KJAB CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1334402 DBMCZKHNPYNSGW-HHHXNRCGSA-N 546.672 4.839 0 40 KJAB Cc1cc(C)nc(SC2=C(Nc3ccc(I)cc3)C(=O)N(Cc3ccccc3)C2=O)n1 1785678 BJFOXJMLHDOPGF-UHFFFAOYSA-N 542.402 4.683 0 40 KJAB CCN(CC)S(=O)(=O)c1cc(-c2nnc(Nc3ccc(OCC(=O)NC)cc3)c3ccccc23)ccc1C 2291980 ADFMIQHLVOWTRV-UHFFFAOYSA-N 533.654 4.504 0 40 KJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(I)c2)cc1 2652663 WJWXUWBSPCXGCK-UHFFFAOYSA-N 506.365 4.759 0 40 KJAB COc1ccc(OC)c(NC(=O)c2cnn3c2N[C@@H](c2ccc(OC)c(OC)c2)C[C@H]3C(F)(F)F)c1 3012542 VYVPTQQBYBPDFM-IERDGZPVSA-N 506.481 4.830 0 40 KJAB CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1c(C)cc(C)cc1C 3104112 MPACNLYNSLJEEJ-QHCPKHFHSA-N 507.612 4.555 0 40 KJAB COc1cc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)ccc1O 3656203 YQJTWCIDKIWXMI-QHCPKHFHSA-N 536.334 4.744 0 40 KJAB COc1cc(-c2cc(OC)c(I)cc2OC)c(OC)cc1I 4802488 JLLLZLFAVOHUCZ-UHFFFAOYSA-N 526.108 4.597 0 40 KJAB S=C(Nc1ccccc1)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccc(-c5ccccc5)cc4)n3)CO[C@H]12 5399592 SVJZYDFKTGZBBH-GWMMUDDPSA-N 509.635 4.744 0 40 KJAB biogenic,in-vitro COc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccc(C)cc2C)cc1 8614164 FHFLLXUYHAONLM-UHFFFAOYSA-N 520.611 4.558 0 40 KJAB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccccc1F 12843102 ZDRQDQDWMRGSNX-UHFFFAOYSA-N 503.024 4.630 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(F)(F)F)c1 13023748 GDGUKJQFFNZOHR-XMMPIXPASA-N 524.547 4.924 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(CCc1ccccc1C)C(=O)Cn1nnc2ccccc21 13024683 HEDRNFVJVIFVPG-MUUNZHRXSA-N 515.633 4.996 0 40 KJAB COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3)n2)c(OC)c1 17244751 ILXFEWHMNWPZGD-CALCHBBNSA-N 515.657 4.746 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(F)c(C(F)(F)F)c1)Cc1ccccc1 20013799 YFMOMWCOMRSYFC-UHFFFAOYSA-N 510.509 4.991 0 40 KJAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 22232909 SPQPYNKAWKVTDH-UHFFFAOYSA-N 514.472 4.967 0 40 KJAB COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)cc1Br 59331943 JLBXJJRSAJCACD-UHFFFAOYSA-N 518.795 4.919 0 40 KJAB COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NC[C@@H]4CCCO4)C(=O)N32)c1 70707072 KTUQHZGGWLWRQB-SSKOMTKWSA-N 550.615 4.568 0 40 KJAB biogenic CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccccc2F)cc1 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COc1cccc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2CCCCCC(=O)NCCc2ccc(OC)c(OC)c2)OCO4)c1 150443905 CIQHSPMMUCRHOE-UHFFFAOYSA-N 662.765 4.801 0 40 KJAB COC(=O)c1cn(C(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c2ccccc12 222588973 WCCISUHWVQBOAD-UHFFFAOYSA-N 574.396 4.568 0 40 KJAB COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1OC 222711847 HWFOTJNEXCJYSY-XMMPIXPASA-N 649.741 4.799 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 222765356 HTTJAZBRGMDEIN-HHHXNRCGSA-N 618.569 4.767 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](CC)C(=O)NC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 223128223 ZTSRTFUFSFGHIU-SANMLTNESA-N 618.152 4.505 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 223204378 XZRHCVVDFJGGOV-HSZRJFAPSA-N 566.482 4.881 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223232422 KEGVVZOJWSAHKX-JOCHJYFZSA-N 536.138 4.837 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223263514 ZIAPBQUYSXZGMI-DEOSSOPVSA-N 626.534 4.898 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223307976 IRGAOEGFXBWLKM-DEOSSOPVSA-N 624.518 4.652 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 223390550 YFDVQYGOKBCFBL-QCDSWUKFSA-N 579.763 4.715 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 223644822 GYOLJXOUDQEFNM-JOCHJYFZSA-N 542.101 4.706 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCC1 223776188 CMNVUGLWCPZIIG-QHCPKHFHSA-N 551.684 4.806 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 223917098 ILGPQBKWPVABCO-IBGZPJMESA-N 572.525 4.835 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 224038185 LIOHSLZBDDNIMS-MHZLTWQESA-N 600.579 4.690 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224183737 RVAJXAIQMVXKCP-HHHXNRCGSA-N 614.164 4.781 0 40 KJAB CCCc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 224201965 OOWCJMWELWYFNX-UHFFFAOYSA-N 513.487 4.683 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 224237040 TWHAZZWXPNJSPU-MHZLTWQESA-N 565.736 4.759 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)c1 224282805 DWZZRENDXPVWQT-DEOSSOPVSA-N 553.700 4.827 0 40 KJAB O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224283871 NJGCHNRTLYYQCJ-UHFFFAOYSA-N 646.109 4.534 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 224333738 UTDMMUVANGRDOB-MHZLTWQESA-N 586.154 4.669 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 224366063 GHEWVFGVGLGKKE-MHZLTWQESA-N 570.155 4.969 0 40 KJAB 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CN(CCc1ccccc1)c1ncc(C(=O)NS(=O)(=O)c2ccccc2Cl)c(CC2CCCC2)n1 257312059 UMGXNHNWTJMQHP-UHFFFAOYSA-N 513.063 4.660 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@]3(CCCN(CC(=O)Nc4ccc(C(F)(F)F)cc4)C3)OC[C@@H]2CC(C)C)cc1 257319190 VREGLNJLQKYGKV-RPLLCQBOSA-N 567.674 4.923 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c2cc(Cl)ccc2OC)cc1OC 260801724 QKKMXWRRMGZNGI-JOCHJYFZSA-N 646.206 4.936 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 261016509 UPCAABHVEHMZSK-MUUNZHRXSA-N 600.181 4.978 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 261048592 LPLGRFZQARIOIZ-LXFBAYGMSA-N 570.155 4.824 0 40 KJAB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc(C(=O)O)o4)c4ccccc34)C2=O)cc1 408544757 XDKCCPWCQHERSE-FMCGGJTJSA-N 531.546 4.664 0 40 KJAB COc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 408578926 WWPCDFNMULHBRR-UHFFFAOYSA-N 535.398 4.990 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(Br)cc1 408618043 CGKIGAVTGNRAGU-UHFFFAOYSA-N 517.445 4.638 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)S(=O)(=O)c2ccc(Cl)cc2)cc1 408630085 NIZKNERMNXOAMQ-UHFFFAOYSA-N 549.070 4.910 0 40 KJAB COc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)c5ccc(Br)cc5C4=O)c(C)c3)CC2=O)cc1 408651901 COYPGHIURSSYSM-MRXNPFEDSA-N 549.377 4.525 0 40 KJAB COc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)cc2)c1 408688487 WXAIXXWMNPZUNQ-UDPYREPESA-N 558.590 4.887 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1I 408769479 MSUVAOCJCCIVQL-PKMGBCQMSA-N 897.320 4.729 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(SC)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408824833 AYNJIFPODYUZRR-GTVARFKMSA-N 539.000 4.716 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3cc(Br)c(N4CCCCC4)o3)c2=O)=N1 408861703 FYTMFKVZMSWNMV-XSZPGNIMSA-N 628.545 4.653 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c4ccccc34)c(=O)n2[C@@H]1c1cccc(OC)c1OCC 408911760 OHFKIYFDNOMLRJ-RYOBIWAXSA-N 572.683 4.758 0 40 KJAB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 408923186 APICNOKUNXOCMX-UHFFFAOYSA-N 590.605 4.735 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(Cl)cc2Cl)cc1 409066833 WYLAHJGCATVMCF-UHFFFAOYSA-N 507.439 4.552 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)Cc2ccc(Cl)cc2Cl)cc1 409075177 XAZMWNGHNICGAB-UHFFFAOYSA-N 507.395 4.860 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409101146 VWYSRRRIXULEBW-YDZHTSKRSA-N 563.994 4.856 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(I)c1OCc1ccc(I)cc1 409133635 NMVGBJWSBOAGPF-FYJGNVAPSA-N 734.350 4.769 0 40 KJAB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 409181759 DKDITJRSIXPLDY-UHFFFAOYSA-N 516.333 4.976 0 40 KJAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(=O)Nc3ccccc3)C2=O)cc1 409340483 XXHVKQDUQGCSNS-LFVJCYFKSA-N 515.591 4.942 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(Br)c1OC(C)C 409377352 GUXOWGPLHFPIHI-MTJSOVHGSA-N 545.455 4.866 0 40 KJAB CC(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)Cc2cc(F)c(F)cc21 643554149 MASBMGILCDJJHM-UHFFFAOYSA-N 544.606 4.651 0 40 KJAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N[C@H](C)COc2ccc(F)cc2Oc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C1=O 643578970 LYTHHNARQRVLDI-WHODAWOQSA-N 696.776 4.659 0 40 KJAB COCCN1CCCCCCN(C(=O)CCCn2cccn2)[C@@H](Cc2ccccc2)COc2ccccc2C1=O 643583421 SZOGNMMPIAJBMF-NDEPHWFRSA-N 546.712 4.845 0 40 KJAB COC(=O)c1cccc(NC(=O)CC[C@@H](C)[C@H]2CC[C@@H]3[C@H]4[C@H](O)C[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4C[C@H](O)[C@@]32C)c1 1889191873 FBWZFXAYMSCOOH-GETSQATNSA-N 541.729 4.789 0 40 KJAB COc1ccc(C(=O)O[C@H](COc2cccc3ccccc23)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1 707714 RTJCUHXXQHVHOC-QHCPKHFHSA-N 530.602 4.534 0 40 KJAB O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 829264 UNGZKRNHESAYRK-UHFFFAOYSA-N 504.439 4.538 0 40 KJAB COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1OC 906150 IWJONNURXOJHTL-SSEXGKCCSA-N 559.642 4.807 0 40 KJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 982936 NBQFLSLYSXJCKD-QFIPXVFZSA-N 507.656 4.974 0 40 KJAB Cc1c(NC(=O)c2c(N)n(-c3ccc(Br)cc3)c3nc4ccccc4nc23)c(=O)n(-c2ccccc2)n1C 1253152 IPQSMLANFNNZBV-UHFFFAOYSA-N 568.435 4.969 0 40 KJAB CCn1c2ccccc2c2cc(NC(=O)[C@H]3CCC(=O)N3[C@@H]3OC(=O)c4c3ccc(OC)c4OC)ccc21 2149199 JMGMSZDOGDGSIK-SKCUWOTOSA-N 513.550 4.630 0 40 KJAB biogenic CCOC(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)cc1 2357216 IEIGIUUYTLEGQD-UHFFFAOYSA-N 505.621 4.843 0 40 KJAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnnn2-c2ccccc2)sc2c1CCN(Cc1ccccc1)C2 3303883 NAQGWORPMXPDGL-GOSISDBHSA-N 548.694 4.578 0 40 KJAB O=C(CN1C[C@@H](c2ccccc2)NC1=S)N(Cc1ccccc1)C1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCCC1 8695887 OQQCREZHFQWHSK-PMERELPUSA-N 597.785 4.735 0 40 KJAB COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1 8952599 OZMFPBQOYXWXSU-IXXIRNOKSA-N 511.615 4.638 0 40 KJAB biogenic Cc1ccc([C@H](C(=O)NCc2ccco2)N(Cc2cccs2)C(=O)CNC(=O)c2cccs2)cc1 12487831 CRUFFIXPCNSHHP-XMMPIXPASA-N 507.637 4.527 0 40 KJAB Cc1ccc2cccc(OC(=O)c3ccc(Br)c(S(=O)(=O)N4CCC(C)CC4)c3)c2n1 12587168 FRQRBFJGUWFTMI-UHFFFAOYSA-N 503.418 4.946 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(C)=O)cc1 13024721 AHOBTYLIKWETNJ-MHZLTWQESA-N 515.589 4.852 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 13500513 UEWNZHBXTFNTJH-MUUNZHRXSA-N 526.641 4.997 0 40 KJAB COC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1C 19856629 AVEGGGSQHUYKNB-UHFFFAOYSA-N 507.395 4.922 0 40 KJAB Cc1ccc(CN(C)C(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1 20451022 XPVHQZHHYHIRAA-UHFFFAOYSA-N 501.446 4.920 0 40 KJAB CCn1cc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)n(CCc3ccccc3)c(=O)c2n1 20848480 SFTIHKLOUDUEAN-UHFFFAOYSA-N 501.534 4.605 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)cc2C)cc1 59923644 PJRSCLBDGLTEKF-UHFFFAOYSA-N 536.635 4.552 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccc(C)c(Cl)c2)cc1 60018234 URXODSKDKNFJBD-UHFFFAOYSA-N 585.107 4.987 0 40 KJAB CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)NCCc1ccccc1 70700695 NOYDNWGZLGUIRX-LQYFPWRPSA-N 534.660 4.528 0 40 KJAB biogenic COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCN(c3ccccc3F)CC2)c1 96901148 SEZCSDOMDIVYRX-JOCHJYFZSA-N 505.575 4.816 0 40 KJAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCc2ccc(OC)c(OC)c2)cc1 97951302 UYMURQWPKQSSJI-XMMPIXPASA-N 533.650 4.594 0 40 KJAB Cc1cc(Br)c(S(=O)(=O)N2CCCN(S(=O)(=O)c3cc(C)c(C)cc3Br)CC2)cc1C 97977091 DCMCZHVDEURWMG-UHFFFAOYSA-N 594.391 4.531 0 40 KJAB CCN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)C[C@H](C)C2)[C@@H]1CCS(=O)(=O)C1 97979059 VICSLHRZPJOTPX-PXMVSJGTSA-N 562.688 4.559 0 40 KJAB COc1cc(OC)cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccc(F)cc2)c1 100353239 XZFOSPWCAQAOBB-MUUNZHRXSA-N 533.604 4.524 0 40 KJAB COc1ccc(CCNC(=O)CSc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)cc1OC 103754168 VGLWHNSABLIGEW-UHFFFAOYSA-N 533.631 4.565 0 40 KJAB COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 106535311 QOGNHDGKUZYEBQ-VEAWFHDZSA-N 528.992 4.919 0 40 KJAB COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O 111882392 KFSPOEKBJHWOHO-LLVKDONJSA-N 505.276 4.556 0 40 KJAB Nc1c(I)cc(I)c(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1I 150395850 NHJCGCZZDSSFLJ-UHFFFAOYSA-N 829.620 4.706 0 40 KJAB COc1ccc(CNc2nc(NCc3ccc(OC)c(OC)c3)n(C(=O)c3cccc(Cl)c3)n2)cc1OC 199432014 FUUWEHRIAOYYIX-UHFFFAOYSA-N 538.004 4.879 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 222561057 UZWCFJQVZWRZLO-MHZLTWQESA-N 572.127 4.876 0 40 KJAB COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(OC)cc2)C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 222941685 UCIHYKVBSBBUKJ-DEOSSOPVSA-N 649.741 4.799 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 223037891 PXCVBUQEEUMWHX-FCHUYYIVSA-N 572.127 4.876 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 223159966 LTTKBMZQAXSUNU-HXUWFJFHSA-N 522.111 4.563 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 223172848 SNNJCOPORSIASV-ZWKOTPCHSA-N 617.404 4.618 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223207934 BGCVTHVLEVXCAD-VWLOTQADSA-N 529.747 4.781 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 223243614 DGRCXUOCYQYRPX-WOJBJXKFSA-N 566.562 4.671 0 40 KJAB CC(C)OCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223328401 UTPMYIRWEPKECV-JGCGQSQUSA-N 591.774 4.761 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 223354399 PCDUUMROAIOYSP-QFIPXVFZSA-N 552.137 4.617 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 223356156 VLZIHPJXFLUBJJ-GDLZYMKVSA-N 578.134 4.890 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 223384777 MPUQZYPMLULJPP-NRFANRHFSA-N 546.492 4.621 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 223476435 BYKJNBMLGQJYKD-WJOKGBTCSA-N 633.742 4.814 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN1C(=O)c2ccccc2C1=O 223694551 DIMPTDYWWNHABH-DFHRPNOPSA-N 543.639 4.757 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 223784411 FVGBZEKLQZUZLD-HXUWFJFHSA-N 576.090 4.545 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 223791447 NZJOLKMZMMSJBD-FQEVSTJZSA-N 620.541 4.654 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 223963209 SYMKEDFTTWHKEI-QHCPKHFHSA-N 592.080 4.857 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 223980963 UNJOXPNYDMFCIK-RBISFHTESA-N 586.154 4.669 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224388878 RDIRZDJWIOXSDX-NDEPHWFRSA-N 671.788 4.922 0 40 KJAB COc1ccc(CN(C(=O)COc2ccc(Br)cc2Cl)[C@H](C)C(=O)NCC(C)C)cc1 224474824 WDQUACGBLXZIBO-MRXNPFEDSA-N 511.844 4.679 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)COc1ccc(I)cc1 224636693 QHVYWAXXZMPJNE-HSZRJFAPSA-N 534.438 4.579 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224684098 YMWBIAYQKGNZJF-VWLOTQADSA-N 595.762 4.768 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 224828622 LPWXGYGKZBVZNC-JOCHJYFZSA-N 572.127 4.796 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 224851823 CEEZFKQETUMECU-PMERELPUSA-N 591.774 4.859 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 224864086 DWTDEKGLEOGHSD-DEOSSOPVSA-N 570.539 4.542 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)c(OC)c1 224996046 ZBBUHBUXDMYJGA-LJAQVGFWSA-N 672.642 4.931 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 225019053 FZPJPNKMHCXLAV-AREMUKBSSA-N 604.542 4.519 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 225166096 MGDPGWBPPICCMI-MUUNZHRXSA-N 535.710 4.832 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 225359172 YAWHVWAGUDGFER-XMMPIXPASA-N 572.555 4.882 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 225365241 UKXCCVHPIHOHCU-NDEPHWFRSA-N 565.736 4.841 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 225573767 IYJNBGHAZWJGBY-PMERELPUSA-N 555.700 4.576 0 40 KJAB 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COc1cccc(CN(C(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 260934054 XPUVVDNPQUVMAB-JOCHJYFZSA-N 602.153 4.742 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 260944350 JDGJNHXAYHBJRC-AOMKIAJQSA-N 546.492 4.621 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)c2ccccc2)cc1OC 260958590 WSOMWXTTXORJIK-JOCHJYFZSA-N 602.153 4.742 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 261089041 SRJPAEYUAGQPAC-MSOLQXFVSA-N 572.953 4.509 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC)S(C)(=O)=O 261123375 ZQZQGLMYLBCNEN-FYBSXPHGSA-N 563.764 4.878 0 40 KJAB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408639818 GDIUQESQDHUECX-PKOBYXMFSA-N 515.791 4.684 0 40 KJAB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccco4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408640758 IRNSKZZNWLRNQY-IFMALSPDSA-N 546.963 4.734 0 40 KJAB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccco4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408641412 KMCWBBXMIKXORN-NLSFWIRASA-N 548.979 4.814 0 40 KJAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)cc3Cl)CC2=O)cc1Cl 408644788 IBJVFBOWNRAWKP-GFCCVEGCSA-N 500.176 4.599 0 40 KJAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Oc4ccc(C)c(C)c4)cc3)C2)c(OC)c1 408658616 LIIOKFVFVAKFGQ-FQEVSTJZSA-N 518.566 4.648 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCCC4)ccc3OC)cc2)cc1 408701790 FUGZXGDDDACDCU-UHFFFAOYSA-N 587.720 4.712 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OCC 408738898 PUHIBYFURUBFES-FHMSYZJOSA-N 542.657 4.749 0 40 KJAB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 408903583 TUEXCQILBLUULG-CFRMEGHHSA-N 564.461 4.944 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4F)cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 408946665 PJXJLBRYLYFXSE-IYVASWNSSA-N 579.049 4.788 0 40 KJAB CCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 408986334 PBLQAIXTIOBFNC-CLNXTWJPSA-N 584.694 4.742 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409035950 KQJGXBUHCUGVQA-KEQCBNTKSA-N 645.572 4.764 0 40 KJAB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409048668 UGIWXJRPEJUORZ-ZBVBGGFBSA-N 507.542 4.826 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c(OCC)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409082525 STRWLPHCGQXWMD-XGLZOBASSA-N 645.572 4.766 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 409099187 JZVXDMAUXPCAMM-SRZZPIQSSA-N 577.453 4.853 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(I)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409103817 WXGMSZJUHDOPDP-QEYQTOMISA-N 637.543 4.870 0 40 KJAB Cn1c(O)c(C(c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S 409109129 YDWSNDSGNHOTOJ-UHFFFAOYSA-N 625.531 4.836 0 40 KJAB 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CCC(=O)N1CCCN(C)CCCN(C(=O)CCCOc2ccccc2F)Cc2cc(F)c(F)cc21 643581293 JGZXHXYWLFCKHX-UHFFFAOYSA-N 505.581 4.760 0 40 KJAB COc1ccc([C@@H](CC(=O)NC[C@@H](C)O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 1547212404 KFRMPUBDZGQYSF-OHUGHZGNSA-N 553.652 4.607 0 40 KJAB Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc(-c3cccs3)n2)c2cccc(C(F)(F)F)c2)cc1 887692 YRAWXSNWTMDRSP-DHLKQENFSA-N 584.624 4.799 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1326032 LERDCQVCHYQURE-SANMLTNESA-N 540.599 4.627 0 40 KJAB COc1ccc(NC(=O)[C@H]([C@H]2CC=CCC2)N(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)c(OC)c1 1419148 WMQPPUMZHPAZMF-JRPXNJEYSA-N 557.626 4.980 0 40 KJAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)OCCN2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 1515530 UVQDBPUPFWRAKN-RAWLKHAVSA-N 586.710 4.546 0 40 KJAB O=C(Nc1nc(-c2ccc(I)cc2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1516379 CTAGTDVMDRRGGR-UHFFFAOYSA-N 553.447 4.842 0 40 KJAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CSc1nnnn1-c1ccccc1 3272731 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CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 13495265 AQSNCMNTZGSBQG-XMMPIXPASA-N 532.645 4.941 0 40 KJAB Cc1ccc(C)c(N(CCCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)c1 14397830 JHNSXHTXLUUIOS-JOCHJYFZSA-N 507.656 4.979 0 40 KJAB CCOc1ccc(N2C(=O)[C@H](C)S[C@@]23C(=O)N(CN2CCN(c4ccccc4)CC2)c2ccccc23)cc1 19818398 ZYCQCVSNFXTPKG-CHJDUVSTSA-N 528.678 4.533 0 40 KJAB Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(Cc4ccccc4)CC3)cc2c1 19940295 VWYZDPZONIYHSI-MUUNZHRXSA-N 511.674 4.544 0 40 KJAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1OC 20494475 DTILXORQXUFQFG-SFHVURJKSA-N 503.020 4.738 0 40 KJAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 36370273 YGOKCQWUEUNOHN-JPYJTQIMSA-N 520.518 4.741 0 40 KJAB CCOC(=O)c1cc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)ccc1Cl 59852411 IWHJGHLHFFXDRZ-UHFFFAOYSA-N 533.002 4.611 0 40 KJAB COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)C[C@H]4c2ccc(OC)c(OC)c2OC)cc1 85877752 NEVJBBPYEUSPRQ-SFHVURJKSA-N 518.518 4.944 0 40 KJAB biogenic Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 96022562 FNEWIILRBMLUGX-UHFFFAOYSA-N 537.667 4.657 0 40 KJAB COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C(N)=O)CC[C@H](C)C5)cc3n2)cc1 98042909 MHTCKZJBIVIQBI-LBPRGKRZSA-N 529.544 4.961 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 100092542 NLIDDAUFMUXMJX-SFHVURJKSA-N 582.531 4.975 0 40 KJAB COc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1 100289912 KMUQZUAMVDLORS-GDLZYMKVSA-N 554.651 4.586 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCCOc4ccccc4C)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 100592206 PEYWZYDMYPSGBJ-OUXZYKPHSA-N 628.747 4.972 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 100683862 LWTLTXRMYCHYCO-ZGOFBEGVSA-N 534.678 4.719 0 40 KJAB COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 101359783 AOIFYMIRSFXXIU-XDZXDJIYSA-N 541.991 4.705 0 40 KJAB COc1ccc(NC(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 101387593 OQTYEJNTIVGDRW-HKBQPEDESA-N 595.656 4.875 0 40 KJAB CCOc1ccccc1N1CCN(Cn2c(=S)oc3ccc(S(=O)(=O)Nc4ccccc4OC)cc32)CC1 102991833 GVCIONZLIXWVAT-UHFFFAOYSA-N 554.694 4.952 0 40 KJAB COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1S(=O)(=O)N1CCCCC1 139711866 VAWHYMMJIYWDLY-UHFFFAOYSA-N 578.112 4.885 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 222631212 FZBYSMAMXXTYPA-AREMUKBSSA-N 569.699 4.670 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 222673464 ROZXTMIEZHIMEJ-GDLZYMKVSA-N 678.605 4.802 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCCCNc1ccnc2cc(Cl)ccc12 222679055 QINFIDXNQXXUIV-UHFFFAOYSA-N 525.030 4.686 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223294328 CKWSRCIUYMAJBU-MHZLTWQESA-N 595.762 4.930 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 223346314 MNFDBBMNBAYFJL-LJQANCHMSA-N 588.863 4.985 0 40 KJAB COCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl 223389142 OXHIJUIJCLCXMY-RUZDIDTESA-N 501.410 4.905 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 223678614 PIGVVUIKSJQLSR-MUUNZHRXSA-N 549.737 4.955 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 223784982 CDNAXXJYMAHNIB-DEOSSOPVSA-N 522.111 4.610 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 223859606 MLBNBKYXKQMSTM-GOSISDBHSA-N 566.482 4.881 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 223884210 UIOSRYSLMSNYGH-SFHVURJKSA-N 566.482 4.881 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1OC 223964768 RSHNLNZNUBGMMQ-BKMJKUGQSA-N 504.627 4.637 0 40 KJAB CCOc1ccc(N(CC(=O)NCCOc2cc(C)ccc2C)S(=O)(=O)c2ccc(Br)cc2)cc1 223995250 VZTFQCZUSHEXDA-UHFFFAOYSA-N 561.498 4.855 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 224142347 XMPQCGVIFATARD-SANMLTNESA-N 551.709 4.533 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1 224160611 OKZPUNCDODEFNI-DEOSSOPVSA-N 583.726 4.918 0 40 KJAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 224600410 NPZUEGJTZKNICZ-SANMLTNESA-N 556.128 4.830 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 224617734 IBUQCHZKAPKPJO-QFIPXVFZSA-N 572.127 4.876 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 224700653 JNWSBRRURWGVJK-DEOSSOPVSA-N 557.757 4.806 0 40 KJAB COc1cc(N(Cc2ccc(C(=O)NCCOc3ccc(C)cc3C)cc2)S(C)(=O)=O)c(OC)cc1Cl 224919120 QUJPUNONTCEMDG-UHFFFAOYSA-N 547.073 4.749 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 225046599 YDXNLDCRRWYKFH-RUZDIDTESA-N 578.573 4.780 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 225184407 CQDQLGCJSJLGDM-SFHVURJKSA-N 629.415 4.844 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 225273686 JNTHZHWABSBXQS-NDEPHWFRSA-N 549.737 4.626 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccc2c(c1)OCCO2 225340431 OIPBZODSIREZPH-LJAQVGFWSA-N 640.202 4.966 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 225529693 WLILWMPSTUNTFD-HHHXNRCGSA-N 618.569 4.911 0 40 KJAB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C[C@@H]2CCCO2)c1 225627244 YQGIFWFPJZBADA-KWTBFXGESA-N 503.672 4.680 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)c1 225654234 VSWSCAZNTSRWLH-VWLOTQADSA-N 565.736 4.758 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)[C@@H](C)C(=O)NC(C)C)cc1 225675162 SUWSZHKAYRVKDZ-NRFANRHFSA-N 618.152 4.503 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225687710 KZWBPVXHLSBTCC-SFHVURJKSA-N 560.519 4.868 0 40 KJAB COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 225756675 HPRQRKXVDIBSCG-GDLZYMKVSA-N 518.654 4.803 0 40 KJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 245238379 MLASZEUJFPJEAY-KYMCINELSA-N 506.687 4.986 0 40 KJAB biogenic CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC2(CC1)CO[C@@]1(C)CC[C@H]3OC(C)(C)[C@H](O)CC[C@]3(C)O[C@@H]1C2 257200798 AEYVWMVSFMUGOM-TZBNILGWSA-N 600.797 4.981 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)c2ccccc2C)cc1 260733599 KKMLPHVSOOLLKN-HSZRJFAPSA-N 539.673 4.580 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)c1 260747656 AOVBUVBTTSPCCP-HSZRJFAPSA-N 541.758 4.925 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 260782162 KPZRUBOIONAEGB-GOSISDBHSA-N 570.539 4.634 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@H](C)c2ccccc2)c2ccc(Br)cc2)cc1 260793049 IYMWIZRJVLEHMI-IBGZPJMESA-N 501.446 4.873 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc(Cc4ccncc4)cc3)Oc3ccc(C)cc32)cc1 260853474 YULWTQQPGICLLQ-MUUNZHRXSA-N 529.618 4.584 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 260871870 KRVVQQJASYJMKG-WJOKGBTCSA-N 587.742 4.779 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 260887062 QDFYGXKCXZQDQO-HHHXNRCGSA-N 600.579 4.688 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 260986162 OZZYNLPWBVCVSA-SFTDATJTSA-N 522.111 4.527 0 40 KJAB Cn1c(=O)n(C)c2cc(NC(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccccc3)ccc21 408613759 XXKGFFHFGRRMQT-UHFFFAOYSA-N 526.618 4.525 0 40 KJAB Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)CCC3=O)cc2)cc1 408641645 KUCAVEKVHQXZPD-UHFFFAOYSA-N 539.371 4.910 0 40 KJAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)c1)Nc1ccc(F)cc1 408684067 JJOKHVXQXLOPIK-WZCPEYNJSA-N 512.537 4.550 0 40 KJAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCC(=O)Nc4cc(C)c(Br)c(C)c4)cc3)C(=O)[C@@H]21 408684693 KHQYHDOWQWVMBJ-HQAQVQPGSA-N 537.410 4.563 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 408701249 UZYHLWFGTYGDLQ-UHFFFAOYSA-N 545.658 4.752 0 40 KJAB COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)N4CCN(c5ccccc5)CC4)cc3c2)cc1OC 408713568 GVXAZPNHBORLBS-UHFFFAOYSA-N 551.690 4.706 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 408762616 FICQOWKQCFTAJR-FBRKSOCZSA-N 663.546 4.641 0 40 KJAB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(O)c(I)c4)c(=O)n32)c1 408770429 XKOGXGJBZBDQDQ-MFUBYVTQSA-N 749.368 4.797 0 40 KJAB CCOc1c(I)cc(/C=C2/S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1OC 408778198 QSVGRLVNNFPEHF-QFTJCQGQSA-N 510.397 4.861 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408835626 OPYDCYYHZXAVAK-DLBLZJNESA-N 632.520 4.509 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccccc3)c(=O)n2[C@H]1c1ccc(C)cc1 408835703 XUAKZHRZHYXUCJ-OXWVMCNISA-N 554.668 4.694 0 40 KJAB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(Cl)cc(I)c4O)c(=O)n32)cc1 408922157 NRGOPHDDCGMPNA-LYFUXTGPSA-N 640.952 4.872 0 40 KJAB CCOC(=O)COc1c(Cl)cc(Cl)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OC(C)C)c(OC)c1)C(C(=O)OCC)=C(C)N=2 409032762 DBIRBRCMJBIXHU-JEYMYLTASA-N 663.576 4.843 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc5c(c4)OCO5)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409034038 MZQYVQFYIGWWBG-QXVWQORNSA-N 842.661 4.670 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cn(C)c4ccccc34)c2=O)=N1 409038019 OIGXOECPHYEZBW-JAYSWQADSA-N 594.531 4.841 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccccc4)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409099143 QPCKXJKVFQNNAA-ASUJOLEISA-N 597.737 4.700 0 40 KJAB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(O)c(I)c3)C2=O)c1 409151598 HYAACDOCULTBMY-VIZOYTHASA-N 652.273 4.998 0 40 KJAB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3c(OC)ccc4ccccc34)C2=O)ccc1Cl 409164744 NFUMVBBLJPXLCZ-CIAFOILYSA-N 510.955 4.963 0 40 KJAB CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccc(Cl)cc3)C(C)C)n2C)c1 409344124 GQXBECKVTGGBRX-QFIPXVFZSA-N 544.077 4.892 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@H](C)NC(=O)c1ccccc1C 409347081 NYXFOKXMKHSPEP-HNNXBMFYSA-N 502.438 4.591 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3n[nH]c(-c4c[nH]c5ccccc45)n3)c(=O)cc1[C@@H](NC(C)=O)CC2 604404692 QTGMVOMVUHPMDM-SANMLTNESA-N 651.724 4.960 0 40 KJAB biogenic CC(C)c1nccn1CC(=O)N1CCOc2ccc(-c3cccnc3)cc2Cc2cccc(c2)C(=O)N(C)CC1 643567726 SQZXHIOVZAAPEU-UHFFFAOYSA-N 537.664 4.653 0 40 KJAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N[C@H](C)COc2ccc(F)cc2Oc2ccc(C)cc2)CC(=O)N[C@@H](Cc2ccccc2)C1=O 643578654 DMUGYYLCUIIXMR-LGBXHZPNSA-N 710.803 4.967 0 40 KJAB CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 1375892 YMKFXONULMGDNC-XMMPIXPASA-N 528.638 4.701 0 40 KJAB C[C@H](OC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 2616168 IGCXEMOZMLGIFZ-LBPRGKRZSA-N 517.394 4.856 0 40 KJAB O=C(COC(=O)CCc1nc2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O)Nc1cccc(F)c1 3252137 DUIVKAPRQYCDKU-UHFFFAOYSA-N 527.474 4.717 0 40 KJAB CCOC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)sc2c1CCCC2 3356273 DVQSGBRRMZJUEF-UHFFFAOYSA-N 524.664 4.803 0 40 KJAB Cc1cccc(CCN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)S(=O)(=O)c2cccc3nsnc23)c1 6442673 WHURYRXEVGLYBC-UHFFFAOYSA-N 518.664 4.892 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 8773784 WLGALOYJMDUCRG-VWLOTQADSA-N 559.619 4.598 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCCCCC2)c2cc(Cl)cc(Cl)c2)cc1 10111152 FFJGIHWQPOEDOS-UHFFFAOYSA-N 512.503 4.879 0 40 KJAB CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c(NC(=O)c3ccc4c(c3)OCO4)scc12 11757962 LTYZDNRARCYCIK-UHFFFAOYSA-N 531.468 4.624 0 40 KJAB C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 19931013 LBXAYQAOARNEBK-OPAMFIHVSA-N 521.864 4.870 0 40 KJAB COc1ccccc1N1CCN([C@H](c2cc3c(C)cc(C)cc3[nH]c2=O)c2nnnn2C2CCCCC2)CC1 19940942 LKSBZBBJIKIIKB-MUUNZHRXSA-N 527.673 4.557 0 40 KJAB COc1cccc(NC(=O)c2cc(OC)c(OC)cc2N(Cc2ccc(Cl)cc2)S(C)(=O)=O)c1 22254063 VSDYYLRLJIPDLH-UHFFFAOYSA-N 504.992 4.584 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccc(C(C)C)cc2)cc1 22319688 PZPSWGNWMVUBLC-OAQYLSRUSA-N 528.696 4.595 0 40 KJAB CCOc1ccc([C@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 30757758 ARVLVTXWZBOVMM-NRFANRHFSA-N 526.655 4.792 0 40 KJAB COc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)N2CCCC2)cc1 33023409 BZVJZFXUSUWMAO-HHHXNRCGSA-N 507.656 4.680 0 40 KJAB O=C(CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl)Nc1cccc(Cl)c1 59671377 LAHLHASHTDRICY-WBVHZDCISA-N 538.400 4.726 0 40 KJAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1 59836486 HZETVBSTEKMRDS-SFHVURJKSA-N 533.046 4.747 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cccc(Br)c3)cc2)cc1 59836941 NKGMDZQNJSNCNT-QGZVFWFLSA-N 533.444 4.905 0 40 KJAB COc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2Cc2cc(F)c(F)c(F)c2F)cc1 97952118 AURTXVQGTHORPQ-FQEVSTJZSA-N 531.531 4.778 0 40 KJAB C=CC1=C(C)/C(=C\C2=C(C)[C@@H](CCC(=O)O)C(CC3=NC(/C=C4/NC(=O)C(C)=C4C=C)=C(C)[C@H]3CCC(=O)O)=N2)NC1=O 100019106 KRAPUBRHQOHVHM-QRMBJJJISA-N 584.673 4.828 0 40 KJAB in-vitro COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1 100168665 DGJNTJCOXZBHGC-UHFFFAOYSA-N 529.087 4.808 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 100190109 CBRCHVIXIQGQKV-LJJBLSSYSA-N 525.468 4.684 0 40 KJAB COc1ccc(-n2c(/C=C/c3ccc4c(c3)OCO4)nc3ccc(I)cc3c2=O)cc1 100885273 MVFWKJNSFQIHBD-QDEBKDIKSA-N 524.314 4.898 0 40 KJAB CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)cc1 101502891 GYPRMQYUNZYARE-UIHHKEIPSA-N 502.996 4.596 0 40 KJAB CCCCn1nc(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c2ccccc2c1=O 103048985 YQWUNYMBLAPYPP-UHFFFAOYSA-N 596.109 4.740 0 40 KJAB NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C2CCCCC2)c1 103068570 UKGGXJDWHXJOCW-UHFFFAOYSA-N 550.504 4.591 0 40 KJAB CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)sc2c1CC[C@H](C)C2 103090923 WWDLJQJWFYKTHE-ROUUACIJSA-N 628.725 4.806 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C 106701924 BKHGLHOHBOAPMK-IWIPYMOSSA-N 531.590 4.696 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCc3ccco3)c(=O)cc1[C@@H](NC(C)=O)CC2 108448836 PHYRYLLDPYGJIY-VWLOTQADSA-N 577.678 4.745 0 40 KJAB biogenic Cc1cc(N(CC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)ccc1Br 109134263 MBJHUJKRXFHRSA-GOSISDBHSA-N 544.471 4.653 0 40 KJAB O=c1/c(=C/c2ccc(I)cc2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 139631158 PMMXLTYFYJZUIB-QKSFETHESA-N 546.433 4.923 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(I)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 150365774 VVDAFYCBJWWZOX-PSXBWXLBSA-N 679.330 4.920 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)cc4Cl)C3)cc2)c1 150421550 HROQFMAULMKZEJ-SFHVURJKSA-N 642.583 4.992 0 40 KJAB CC[C@H](Sc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1)OCO3)C(=O)NCc1cccnc1 150444856 CSQLANKFTUJNDL-XIFFEERXSA-N 695.798 4.745 0 40 KJAB CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(C(=O)OC)c(C)s1 150653431 RCLUOYOPFSGFIM-AIPAAETGSA-N 652.770 4.880 0 40 KJAB biogenic CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 222610402 QVHNFIMQOHNUOB-HHHXNRCGSA-N 553.700 4.970 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 222612789 AEEULDIFLRUTOT-VWLOTQADSA-N 606.970 4.563 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2cccc3cccc1c23 222618357 PJCSHTGQHFPPBJ-SANMLTNESA-N 556.460 4.949 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 222630979 BRLLEURRQZARSF-QHCPKHFHSA-N 521.683 4.522 0 40 KJAB COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccc(Cl)cc2)C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC 222798868 ZVZUTLZQSSLRMT-XMMPIXPASA-N 642.218 4.851 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Br)cc1Cl 222836916 YMIXSLBUFISRCA-FQEVSTJZSA-N 511.844 4.822 0 40 KJAB CCOC(=O)C1(c2ccc(NC(=O)CCc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3)cc2)CC1 222876926 HXVJWYXLDPDMPB-UHFFFAOYSA-N 506.624 4.962 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222980197 POXASADDFWBTGH-SFHVURJKSA-N 600.565 4.643 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 223034726 SRGWDPQHMCCTDY-MHZLTWQESA-N 553.750 4.774 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 223051284 SXFDLUXEKMLISL-VWLOTQADSA-N 565.736 4.923 0 40 KJAB O=C(NCc1ccccn1)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223183003 YTTDPYXIQZHOSV-YTTGMZPUSA-N 614.743 4.551 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 223244916 HVGPXVZZDRDTME-AREMUKBSSA-N 576.546 4.844 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 223321138 HYGJBVWRDADKBN-OAQYLSRUSA-N 548.920 4.746 0 40 KJAB O=C(NCCN1CCOCC1)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 223380392 SCQSSEXXFPXKGJ-UUWRZZSWSA-N 695.213 4.877 0 40 KJAB CCCc1ccc(OCCNC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 223521166 CDJXAFXMEAKVNW-UHFFFAOYSA-N 517.047 4.692 0 40 KJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 223544756 OSJOGBWSZFIPFS-QFIPXVFZSA-N 521.683 4.505 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 223552865 WBCWSJRFNPRCQO-XMMPIXPASA-N 535.710 4.867 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O 223650399 YRESDQWUNJASSY-HHHXNRCGSA-N 529.747 4.827 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223680530 HBUZKNCCQJKALL-MUUNZHRXSA-N 565.736 4.655 0 40 KJAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224038405 CAVOUCORNNYJPR-MHZLTWQESA-N 553.700 4.787 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 224060139 FBDPVNBPBGUIBF-GDLZYMKVSA-N 549.737 4.562 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224082545 RTMWRWRUBCMSDF-QHCPKHFHSA-N 551.684 4.540 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1 224160383 DRRNRTNDEZWKQU-QHCPKHFHSA-N 569.699 4.528 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224256107 JPDVKTKCQUOQND-INIZCTEOSA-N 548.920 4.602 0 40 KJAB CSc1ccc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1C(=O)N1CCC(C)CC1 224326389 XIEDJMFOOFQDSZ-UHFFFAOYSA-N 504.718 4.935 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](CC)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1 224521913 FEUMPYWTNMYYDF-LJAQVGFWSA-N 565.736 4.860 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc(CN4CCCCC4)cc3)Oc3ccc(Cl)cc32)cc1 224524991 WDMXBZXWOMSSGR-NDEPHWFRSA-N 554.112 4.907 0 40 KJAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 224719277 KCNOQCKAUHUEJX-JSZIULHXSA-N 510.612 4.821 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccccc1 224850745 LUPKOPFXKADJPR-QFIPXVFZSA-N 539.673 4.527 0 40 KJAB CC(C)(C)c1ccc(OCCNC(=O)CCCN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 224865772 ZLFAZMLETAYNFQ-UHFFFAOYSA-N 500.583 4.744 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c(C)c1 224883215 PPUMXDMWUYTQCU-NDEPHWFRSA-N 570.155 4.888 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccccc1 225155518 VXRUWFZCZICWMZ-QHCPKHFHSA-N 581.710 4.896 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O 225323842 ZAZXGSMISQZOSU-SSEXGKCCSA-N 579.763 4.716 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 225473364 SZAANJGMYOXTLX-GDLZYMKVSA-N 567.727 4.765 0 40 KJAB COC(=O)c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)o1 225495975 RESWEAGJSZTTBG-UIOOFZCWSA-N 578.672 4.685 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225627363 WGQSHXBXWAQGRJ-DEOSSOPVSA-N 582.044 4.511 0 40 KJAB S=C(NCc1ccc2c(c1)OCO2)Nc1nc(N2CCc3ccccc3C2)cc(N2CCc3ccccc3C2)n1 226013058 DNSPYOREEUAIOE-UHFFFAOYSA-N 550.688 4.817 0 40 KJAB O=C1N[C@H](c2ccc(-c3ccc(Br)cc3)o2)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 226260093 ZLHGPYDCTXLOSU-FCEWJHQRSA-N 515.307 4.875 0 40 KJAB O=C1[C@@H]2[C@@H](N=NN2CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)C(=O)N1c1ccccc1 227002329 OYFMNMRXCUEVHE-CMYDWJSCSA-N 528.572 4.511 0 40 KJAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CC(=O)O)C(=O)[C@H]54)[C@H]23)ccc1COc1ccc(Cl)cc1Cl 245241966 VDVKNAYTGPJFMC-OFBOWXIISA-N 647.558 4.889 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 260995778 QVASDURJQONKLX-RPWUZVMVSA-N 611.761 4.548 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1OC 261014966 UCPILMISODYNNT-AREMUKBSSA-N 660.631 4.787 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 261084480 RVABDEKCWPONIS-RNAHPLFWSA-N 596.769 4.610 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 261089185 SVMIYFSRMFCMDW-HXUWFJFHSA-N 573.662 4.501 0 40 KJAB COC(=O)c1cccc(Cn2cc(/C=C3\NC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)c3ccccc32)c1 408541200 BZSBGXNRDBGAOO-OYKKKHCWSA-N 587.430 4.770 0 40 KJAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1OC 408616613 ZPPLVADWOPHQLO-UHFFFAOYSA-N 605.688 4.958 0 40 KJAB COc1ccc(C(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408664553 SUBIIYOOJGMJMY-TUTDUJMCSA-N 578.448 4.791 0 40 KJAB Cc1cc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)c(C)cc1Br 408690765 WPPAVNQOUJENIE-LEDSTXDGSA-N 525.399 4.563 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C(C)C)ccc3OC)C2)cc1 408700516 HGQUOYVJPYRMTK-JOCHJYFZSA-N 516.660 4.815 0 40 KJAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3)c2=O)=N[C@H]1c1ccc(OCc2ccccc2)c(OCC)c1 408732472 VKWBECSIOZFCBS-HDFSHUSISA-N 554.668 4.885 0 40 KJAB CCOc1cc(/C=C2/NC(=S)NC2=O)c(Br)cc1OCc1ccc(Br)cc1 408848819 VZVJBNGJYBJBNA-VIZOYTHASA-N 512.223 4.535 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Cl)cc(Cl)c4OCC)c(=O)n32)cc1OCC 408934076 CNEVMMIXOYJCHK-GSFLASDGSA-N 577.486 4.521 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(C)cc1 409003399 ZZAWKQOAAPRKFU-PNZYDNNZSA-N 563.031 4.718 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OC(C)C)c(OCC)c4)c(=O)n32)cc1 409035721 QCPBZBFGOWHBOZ-XQNWCSQWSA-N 564.704 4.771 0 40 KJAB CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 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CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 409357601 JLVIDVSNEJPJLN-UHFFFAOYSA-N 531.038 4.875 0 40 KJAB Cc1ccc(NC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409381816 JWBMAFSROMMVPU-RTWAWAEBSA-N 516.333 4.776 0 40 KJAB COc1ccc(CN2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCn1cc(C)cn1 585271849 OYDGZIABJBWHAP-UHFFFAOYSA-N 520.457 4.992 0 40 KJAB CC(=O)NC1CCN(C(=O)C[C@@]2(COc3cc(C)c(Cl)c(C)c3)CN(Cc3ccc(C)cc3C)CCO2)CC1 585283771 CKBQRWCORXPMMC-HKBQPEDESA-N 556.147 4.741 0 40 KJAB C[C@H](COc1c(F)cccc1Oc1ccc(Cl)cc1)NC(=O)[C@@H]1CC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1 643550708 GKGSWWFIEFFRSI-XGJRVREISA-N 717.194 4.922 0 40 KJAB CC(=O)N1CCCCCCCN(C(=O)Cc2ccc(F)cc2C)Cc2ccc(CN3CCOCC3)cc21 643557629 YSJSKJCIWYPMDT-UHFFFAOYSA-N 509.666 4.855 0 40 KJAB CN1CCCCCCCCO[C@@H]2CN(C(=O)CCn3ncc4ccccc43)C[C@H]2Oc2ccccc2C1=O 643582123 LPWORRGZQSERMQ-VSGBNLITSA-N 518.658 4.528 0 40 KJAB Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)ccc1Br 674580 ACIUOWRJEHNCJO-UHFFFAOYSA-N 501.402 4.526 0 40 KJAB CCOc1ccc(Br)cc1[C@H]1Nc2ccc(I)cc2C(=O)N1NC(=O)c1ccncc1 2746646 VHEOGXNVSBRTQM-FQEVSTJZSA-N 593.219 4.759 0 40 KJAB CCN(C(=O)COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1cccc2ccccc12 3282866 UPQXMVKZEBFCDK-UHFFFAOYSA-N 546.601 4.622 0 40 KJAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(N3C(=O)c4cccc5cccc(c45)C3=O)cc2)c1 3417014 UFEPDGJUVGZLJH-UHFFFAOYSA-N 533.993 4.796 0 40 KJAB COc1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 6973476 QTKQLOZKSZZWPF-UHFFFAOYSA-N 546.686 4.790 0 40 KJAB CC(C)CN1C(=O)N(CC(C)C)C(=O)C2(Cc3c(Cl)cccc3N3CCN(c4ccccc4)C[C@@H]32)C1=O 9433978 ORBFNKAWXFNZIM-RUZDIDTESA-N 523.077 4.681 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1C 10443210 CDQSHQUQZSEUFP-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB COc1ccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1S(=O)(=O)N1CCCC[C@H]1C 12640913 VMJWMCJLPZXPHD-CQSZACIVSA-N 507.584 4.912 0 40 KJAB CC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O 13495259 BSCCJDIWJMHSNK-XMMPIXPASA-N 526.597 4.655 0 40 KJAB Cc1c(C(c2ccc(O)c(Cl)c2)c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C 15015479 RFRHTDXFSYWMHL-UHFFFAOYSA-N 515.013 4.821 0 40 KJAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(Br)cccc4s3)cc2)C1 17244860 VNUPBZXYYAGKSY-OKILXGFUSA-N 508.463 4.978 0 40 KJAB COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N(Cc1ccccc1)Cc1ccc(Cl)cc1 19973086 SVNODZJZTKFDTK-HHHXNRCGSA-N 529.044 4.915 0 40 KJAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)N[C@@H](C)c1ccc(Br)cc1 20022433 XWJYGKDFKGPZDK-INIZCTEOSA-N 521.408 4.954 0 40 KJAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1Br 20152992 IAOXUJLIZJXLIM-UHFFFAOYSA-N 505.390 4.736 0 40 KJAB O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1Br 22833711 YRGZDBSRFUBTFP-UHFFFAOYSA-N 509.473 4.898 0 40 KJAB COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCc2ccc(OC)c(OC)c2)cc1 33355564 UCONGVVDJPRSMF-QHCPKHFHSA-N 582.078 4.717 0 40 KJAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 33579420 QNVCWMBQXHXMDI-UHFFFAOYSA-N 503.852 4.553 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(Cc1ccc(OC)cc1)C(=O)CCC(=O)Nc1cc(C)on1 38146003 RYZQWZSAELCRPR-NDEPHWFRSA-N 550.656 4.794 0 40 KJAB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OCc4ccccc4)cc3)cc2Cl)CC1 59331740 RYFCXFUNPAJTIO-UHFFFAOYSA-N 523.058 4.714 0 40 KJAB COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@H]3c3cccc(Br)c3)C2=O)cc1OC 70699484 YGELOVQYWCYWHC-PWUYWRBVSA-N 574.475 4.875 0 40 KJAB biogenic Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@@H]3C2=O)c1 95483635 OOMMYEXRWKFMJF-FKBYEOEOSA-N 517.994 4.912 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(COc4ccc(I)cc4)c3)c(=O)n2[C@H]1c1ccccc1 97959871 XUEHQLHLUREWJI-BIWBSIMWSA-N 652.510 4.600 0 40 KJAB O=C(NC1CCCCC1)[C@@H](c1ccc(O)cc1)N(Cc1cccs1)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 100289885 JBGVHVITFFOZMP-AREMUKBSSA-N 565.099 4.980 0 40 KJAB COc1cccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2cccc(F)c2)c1OC 100367157 HWFOYOXJLFFKDF-HHHXNRCGSA-N 533.604 4.524 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 100879336 LMXPBMXPXODLRG-IWIPYMOSSA-N 602.090 4.640 0 40 KJAB CC(C)[C@@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 101505260 BGPSQIYEIAYDFE-CHCBTGSZSA-N 545.426 4.683 0 40 KJAB Cc1ccc(S(=O)(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)c2ccc(C(=O)N3CCOCC3)cc2)cc1 102416360 FAYURUQYGIJFAZ-HHHXNRCGSA-N 583.710 4.832 0 40 KJAB CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1cccc(C(F)(F)F)c1 102618226 DZEUVSDMGDQQKE-NRFANRHFSA-N 533.528 4.649 0 40 KJAB COc1ccc(N(CC(=O)NCCSc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 106019854 KLOUTXBCJOKIBM-UHFFFAOYSA-N 535.087 4.769 0 40 KJAB COc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3cccc4ccccc34)n2C)C(C)C)cc1 108250215 MCFUIKAEZVLOON-DEOSSOPVSA-N 503.628 4.835 0 40 KJAB 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CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc(I)cc1 223171751 ITLLQBFZNWHOJH-VWLOTQADSA-N 556.444 4.755 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 223223397 YOQMMWZEUXJGIW-VQTJNVASSA-N 574.541 4.700 0 40 KJAB COc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 223305969 PCCLQPFUOZALMW-SFHVURJKSA-N 503.020 4.738 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223307763 FQDSDOMNTGOIQI-XMMPIXPASA-N 608.544 4.759 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 223369978 ZBEXEQYDVRQZGC-IBGZPJMESA-N 542.529 4.728 0 40 KJAB CCOc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@@H](CC)C(=O)NC)S(=O)(=O)c1ccc(SC)cc1 223485168 CCGPDEBTFIVRFR-SANMLTNESA-N 583.776 4.598 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 223509643 HCURFUQXZVSWMA-LJQANCHMSA-N 548.492 4.742 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 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CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 224883621 CFTINEZMJODDPR-AREMUKBSSA-N 576.546 4.924 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224987161 UROAGLIPSRZMTN-JOCHJYFZSA-N 602.153 4.804 0 40 KJAB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-n3cnnc3)c2C)ccc1NC(=O)C(C)(C)C 225095670 SIKKDIXINUDDAS-LOSJGSFVSA-N 544.685 4.573 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225146168 YOUKHIZLEBBWMT-NDEPHWFRSA-N 595.762 4.850 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 225183718 MBSQPCNHTJJQMT-QHCPKHFHSA-N 553.700 4.917 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 225237191 XZTDXHTWHXZMHZ-JOCHJYFZSA-N 616.578 4.987 0 40 KJAB COc1ccc(CNC(=S)Nc2nc(N3CCN(c4ccccc4)CC3)cc(N3CCN(c4ccccc4)CC3)n2)cc1 225931691 YAZPVFHLDIMVTE-UHFFFAOYSA-N 594.789 4.625 0 40 KJAB 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223916170 GBVMXJKGAKLZHI-SFHVURJKSA-N 570.539 4.553 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223945886 KBBWBXSOAZPFHH-GOSISDBHSA-N 624.518 4.652 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 224126481 JWZBTKPVCUGRJB-HHHXNRCGSA-N 600.579 4.690 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 224276579 IYXXPJTXFKNNIC-HHHXNRCGSA-N 527.731 4.716 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 224635458 JLBOHRZYUCLSII-MUUNZHRXSA-N 595.762 4.787 0 40 KJAB CCOc1ccccc1N(CC(=O)NCc1cccc(CN2CCCCC2)c1)S(=O)(=O)c1ccccc1 224648980 ICYVDYMBCCMZGR-UHFFFAOYSA-N 521.683 4.583 0 40 KJAB COc1ccc(N(CC(=O)NCc2cccc(CN3CCCCC3)c2)S(=O)(=O)c2ccc(C)cc2)cc1 224651560 LZTNWLZWMJTEMD-UHFFFAOYSA-N 521.683 4.501 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 224770196 LBSHNYBYMOGEFS-SFHVURJKSA-N 570.539 4.634 0 40 KJAB CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 224771633 AAMDVUCWHKDTDY-UHFFFAOYSA-N 535.754 4.833 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 224798886 NTJUFTBTGQMFJJ-SFHVURJKSA-N 540.513 4.626 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 224822124 NAZAVCNJLMEOCQ-QFIPXVFZSA-N 562.947 4.992 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 224925559 QOOGIXYTKXQOLK-SANMLTNESA-N 576.546 4.779 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 224954653 YGNDARYAEDKZKT-GDLZYMKVSA-N 565.736 4.867 0 40 KJAB COc1ccc(-c2nnc(NC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccc(OC)c(OC)c3)s2)cc1 225020275 VWBSSWQFHNIELJ-UHFFFAOYSA-N 605.094 4.727 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 225028976 PZSGJZNGZCDDFG-HHHXNRCGSA-N 590.518 4.990 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 225187977 XMLXQMZGFRNMHV-GOSISDBHSA-N 568.017 4.717 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1OCC)S(C)(=O)=O 225250277 LUBLSDVUCOJTKB-HSZRJFAPSA-N 552.137 4.619 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 225296394 QDWSXRIUIOATPL-ROUUACIJSA-N 542.529 4.654 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c1ccccc1 225385819 XUAQWHKBPJEFMC-ZEQRLZLVSA-N 581.735 4.621 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225474572 HIDRAVOLJFMFBS-WXVAWEFUSA-N 599.725 4.760 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)C)c2ccc(C)cc2)cc1 225543582 ANAYUDZAKGAROA-QFIPXVFZSA-N 572.127 4.794 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c2ccc(C)cc2C)cc1 225685690 NZLFAAOAEDPQEF-SANMLTNESA-N 549.737 4.792 0 40 KJAB COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC 260820208 WCYDRCSKZHRECN-RUZDIDTESA-N 607.773 4.726 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1OC 260828096 ZQVLJUNAXGDTSF-GOSISDBHSA-N 600.565 4.643 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC)S(=O)(=O)c2ccccc2)cc1 260860686 QMJXBKCVNHKIOY-LJQANCHMSA-N 578.518 4.751 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 260881946 CBOMXSOJPIKTNM-RPBOFIJWSA-N 565.736 4.573 0 40 KJAB CC(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NCc1cccc(CN3CCCC3)c1)O2 260892440 YVVXGIBJLLMREF-GDLZYMKVSA-N 547.721 4.853 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1 260909031 QGVOQPROQSPVKV-RUZDIDTESA-N 535.710 4.688 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 260930034 HOKLZFSRMLWVSY-RPBOFIJWSA-N 565.736 4.839 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 261075671 QIVHZFLSTGJONC-FIPFOOKPSA-N 600.181 4.978 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(OC(C)C)c2)c2cc(C)cc(C)c2)cc1OC 408616442 GJVSBKUITHOVJA-UHFFFAOYSA-N 512.628 4.942 0 40 KJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CCS(=O)(=O)c1ccc2ccccc2c1 408647547 USMKGHVLUBRFSO-UHFFFAOYSA-N 524.820 4.910 0 40 KJAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Oc4ccc(C)c(C)c4)cc3)C2)cc1 408652252 CBWDUJAECAUZJW-NRFANRHFSA-N 515.566 4.589 0 40 KJAB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)c2ccc(OC(=O)c3cccs3)cc2)CC1=O 408659610 WCABENXVITTWIP-NRFANRHFSA-N 505.592 4.871 0 40 KJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 408703627 UYLYAILELLJVFW-HNNXBMFYSA-N 500.448 4.707 0 40 KJAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 408711146 UDSQRBAEOOZSHV-UHFFFAOYSA-N 528.439 4.726 0 40 KJAB CN(c1ccc2sc(C(=O)N3CCN(c4ccccc4F)CC3)cc2c1)S(=O)(=O)c1ccc(F)cc1 408713661 ZPOVFYVDNBLLNS-UHFFFAOYSA-N 527.618 4.967 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(C)=O)cc4)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408825068 RGKZDKZGAOSDKF-ASZNLBCTSA-N 556.640 4.660 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 409019754 XSLWRRNOKXUVEJ-MMEDEBMTSA-N 627.122 4.588 0 40 KJAB Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)S(=O)(=O)c2ccccc2)c1 409029131 WPBNWISCOSOELO-UHFFFAOYSA-N 513.619 4.759 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(C)c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409038233 OWHPSHSHJNBUMM-PMYQURGISA-N 686.783 4.645 0 40 KJAB CCCCN1C(=O)S/C(=C\c2cc(I)cc(I)c2OC)C1=O 409056404 DMIZBXJJIFMFQZ-GHXNOFRVSA-N 543.164 4.741 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)Cc2ccccc2)cc1OC 409079114 KGFXVCYUCKTYFT-UHFFFAOYSA-N 508.518 4.552 0 40 KJAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)Nc1ccc(Cl)c(C(F)(F)F)c1 409134081 RSZGBDPJNKIKRI-NSHDSACASA-N 519.701 4.656 0 40 KJAB CCc1cccc2c(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cn(CC(=O)N3CCOCC3)c12 409144699 GCOSQDIWROTMCM-UCQKPKSFSA-N 524.042 4.952 0 40 KJAB Cc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccc(Br)cc3F)n2C)C(C)C)cc1 409352947 XQDQPXAVRDPNNU-HXUWFJFHSA-N 534.455 4.883 0 40 KJAB Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccc(Br)cc2C(C)C)n1C 409363046 UGDOIOYHZSNCRK-UHFFFAOYSA-N 516.465 4.670 0 40 KJAB Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)N[C@H](CC(=O)O)Cc3cc(F)c(F)cc3F)cc2)c1C 585120692 BUEAHBGCWVOYLC-QFIPXVFZSA-N 562.610 4.632 0 40 KJAB CO[C@]1(COc2cccc(Cl)c2)COCCN(Cc2cccc(OCCn3nc(C)cc3C)c2)C1 585272424 MYRYPYKATFZMSF-MHZLTWQESA-N 500.039 4.529 0 40 KJAB COc1ccccc1CCC(=O)N1CCC[C@](COc2cc(C)c(Cl)c(C)c2)(CC(=O)N2CCC(O)CC2)C1 585286059 HDZJEHJUZPSYFJ-HKBQPEDESA-N 557.131 4.959 0 40 KJAB CS(=O)(=O)c1ccc2nc(NC(=O)c3c(O)nnc(-c4ccccc4)c3-c3ccccc3)sc2c1 1792158 XCQDFMRMUMLHBA-UHFFFAOYSA-N 502.577 4.782 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@@H](C(=O)NC(C)(C)C)c3cccs3)n2)cc1 6074700 LTYKDTATHGZZGF-XMMPIXPASA-N 553.088 4.748 0 40 KJAB CC(C)c1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 6190803 CEDPBIHYECSHKI-QHCPKHFHSA-N 523.634 4.534 0 40 KJAB CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1c[nH]c2ccccc12 6860653 NWGDBMDOTCWAQH-RUZDIDTESA-N 544.681 4.705 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Br)s4)c(=O)n32)cc1 8399345 ZMFASKWWFYNXIW-POEBIKTISA-N 566.502 4.707 0 40 KJAB CCC(=O)N1c2c(C)cc(C)cc2C2=C(SC(C(=O)OC)=C(C(=O)OC)C23SC(C(=O)OC)=C(C(=O)OC)S3)C1(C)C 8425767 YJTQDBZXEJEEJL-UHFFFAOYSA-N 633.766 4.631 0 40 KJAB COc1cc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc([C@H](C)O)cc4)c3N2)cc(OC)c1OC 8444749 TWHFVTXZZJWQBI-WMHILYHISA-N 520.508 4.875 0 40 KJAB O=C(NC[C@@H]1CCCO1)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C1=O 8790127 KNFHTQBFBWLJMB-IYKJZBSOSA-N 520.589 4.560 0 40 KJAB biogenic CCOc1cc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@](=O)C3)cc(OCC)c1OCC 9414014 XRPOWSPRCIIGKO-UMSFTDKQSA-N 504.008 4.736 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OCC)cc2)c(C)c1 10447051 YGXGZAYDMMDZRS-UHFFFAOYSA-N 514.575 4.544 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(Cc1ccccc1)C(=O)CCC(=O)Nc1cc(C)on1 12491218 XSPJCLBYQMEXKI-MHZLTWQESA-N 520.630 4.785 0 40 KJAB COc1ccc(CCNC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 14153317 AHFFTWTVEJBXGF-UHFFFAOYSA-N 507.439 4.865 0 40 KJAB CCc1ccccc1N(CC(=O)Nc1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccc(C)cc1 14410840 WJSCNYCUCLLOIL-UHFFFAOYSA-N 501.004 4.831 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2cccnc2)Cc2ccc(Cl)c(Cl)c2)c(C)c1 14414818 NGRVOJAFLOPGQM-UHFFFAOYSA-N 506.455 4.821 0 40 KJAB O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1 20028447 NIRZAMJEZUQDQF-UHFFFAOYSA-N 518.466 4.533 0 40 KJAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN(c4cccc(C)c4C)CC3)cc2c1 20080483 RYLHWSORQOOZLB-NDEPHWFRSA-N 527.673 4.557 0 40 KJAB COc1ccc(NC(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2)S(C)(=O)=O)cc1Cl 22253549 FYRWJFVJYPYPEE-UHFFFAOYSA-N 504.992 4.584 0 40 KJAB COc1ccc([C@H](C)NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 22428540 VAXDXHNRBVHLNK-KRWDZBQOSA-N 503.418 4.530 0 40 KJAB CCOc1ccc([C@@H](C)NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 22428548 DEIRPMKHPDZQAF-GOSISDBHSA-N 517.445 4.921 0 40 KJAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCc5ccccc54)cc3)cc2)n1 30871467 VTTCTUSHGLPBTE-UHFFFAOYSA-N 513.623 4.709 0 40 KJAB O=C(CSc1ncn(-c2ccccc2)n1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 32124884 CJEJDWAECDCPHU-UHFFFAOYSA-N 503.653 4.868 0 40 KJAB CCCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)nc21 33354922 OQAJKVYYEDMXOD-UHFFFAOYSA-N 551.654 4.526 0 40 KJAB Cc1cc(-c2nnc(SCC(=O)c3ccc4c(c3)OCCO4)n2C)c2c(C)nn(-c3ccccc3)c2n1 36612109 YBWRYWKNPXINGP-UHFFFAOYSA-N 512.595 4.579 0 40 KJAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OC 59833938 VEJXUFBIVMUSAQ-HXUWFJFHSA-N 542.963 4.904 0 40 KJAB COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc12 96114420 FFYXULWMBMUDSM-LJQANCHMSA-N 506.507 4.592 0 40 KJAB biogenic COc1ccc(C)cc1N(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)[C@@H](C(=O)NC(C)(C)C)c1ccc(C)cc1 100286943 YGUBGTNQBOMSPA-MUUNZHRXSA-N 540.668 4.963 0 40 KJAB COc1ccc(NC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 100351641 JIQWIAUOMQBKPC-UHFFFAOYSA-N 531.565 4.559 0 40 KJAB CCCCOc1ccc([C@]2(C(=O)N[C@@H]3C(=O)N4[C@@H](C(=O)O)C(C)(C)S[C@H]34)CCC[C@H]2Cc2ccccc2)cc1 100758368 IANGZIANUPJCHX-UGNMGFQRSA-N 550.721 4.778 0 40 KJAB biogenic O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1)c1ccccc1 101133412 JJNKLCHCGHCRMY-FCEKVYKBSA-N 504.542 4.953 0 40 KJAB O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21)c1ccc(I)cc1 101790495 OKONPMQEFXBOOL-XMMPIXPASA-N 531.777 4.995 0 40 KJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 103033434 TXNURRQLNRLLFX-UHFFFAOYSA-N 578.112 4.601 0 40 KJAB Cc1ccc(N2C(=O)CS[C@@]23C(=O)N(CN2CCN(Cc4ccccc4)CC2)c2ccccc23)cc1Cl 103691547 SBXKWCJSCBMNHI-LJAQVGFWSA-N 533.097 4.703 0 40 KJAB COc1ccc(C)cc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 103900510 FASWXKKDBDHHDH-UHFFFAOYSA-N 535.018 4.517 0 40 KJAB COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(I)cc1 105305408 BJANDXIWDIJVHW-UHFFFAOYSA-N 570.044 4.952 0 40 KJAB CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1[C@H](CCSC)NC(=O)c1ccc(OC)cc1 106026751 RFDOWQMOIPMMNU-FQEVSTJZSA-N 534.107 4.915 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 111470428 GTGRMQZXJCSBEW-DBXPASCUSA-N 528.605 4.516 0 40 KJAB CC(=O)O[C@@H]1C(=C(Br)Br)[C@@H](COC(=O)c2ccccc2)O[C@@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21 150422435 YUWLLZMGRZVIOZ-OFUUFJSKSA-N 671.302 4.766 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OC)c(I)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 163295087 ZUHQTULFOFZFOA-STEKTNRRSA-N 682.536 4.566 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4ccc(I)o4)c(=O)n32)cc1 164565914 WDUFKRPGEWGAHY-MLJBDGAYSA-N 625.488 4.697 0 40 KJAB COC(=O)COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cc1Br 215096492 UKKBFJQVZLZPEF-RQZCQDPDSA-N 541.217 5.000 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 222548035 SSNGHUGOXBGESZ-VWLOTQADSA-N 536.138 4.835 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)N(C(=O)c3ccc(OC)cc3)CC4)C2)cc1C 222589792 FIWOARIOTPQFMO-XMMPIXPASA-N 577.703 4.645 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 222878937 GBQSRURORGMHEX-MHZLTWQESA-N 632.179 4.893 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 223082761 ZRHRDKUAOMQKGR-MUUNZHRXSA-N 570.155 4.658 0 40 KJAB Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)o2)c(Br)c1 223160301 VBUXNHOKDDHEKD-DNQXCXABSA-N 527.488 4.717 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223260782 BELPDUXVMRTORG-HSZRJFAPSA-N 629.751 4.771 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223289778 VLSMSBXXHWDAOC-VWLOTQADSA-N 592.545 4.544 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 223299539 YSBIACVIVAVTDX-IBGZPJMESA-N 542.529 4.710 0 40 KJAB COCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 223385468 WLEIBLVSYAHLGH-PMERELPUSA-N 598.165 4.590 0 40 KJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 223535114 BQCIWCVDHIMXPR-DEOSSOPVSA-N 553.700 4.706 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 223779598 ISERKTHNURZTBF-DEOSSOPVSA-N 540.101 4.749 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Br)cc1 223791988 CPMGWCAKVMINKG-HXUWFJFHSA-N 620.541 4.736 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 223805681 CSMKOHVEFZWEEB-QHCPKHFHSA-N 586.980 4.901 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223938268 GIUPIJYNQPJIGW-OAQYLSRUSA-N 602.551 4.597 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223972928 KGLOUPPOQPYBRB-IBGZPJMESA-N 586.980 4.901 0 40 KJAB O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)Nc1ccc2c3c(cccc13)CC2 223988667 XKQMYYRLMDRQEJ-UHFFFAOYSA-N 500.576 4.544 0 40 KJAB Cc1ccc(C)c(OCCNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3cc(C(C)(C)C)ccc3O2)c1 224026555 IQDGGOOOQRQNPG-MHZLTWQESA-N 522.667 4.752 0 40 KJAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 224072545 XBQSUJVSSJAGEH-HSZRJFAPSA-N 556.128 4.748 0 40 KJAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224603138 RDFONVIVLQSAOP-MHZLTWQESA-N 556.128 4.830 0 40 KJAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 224604811 URWVDTOERBFGRT-SANMLTNESA-N 586.154 4.838 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 224633372 XFBHCSCKUDPMPK-NDEPHWFRSA-N 535.710 4.770 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)c2cccc(C)c2C)cc1 224657641 PJTJVAZAGVIOGR-DEOSSOPVSA-N 553.700 4.888 0 40 KJAB COc1ccccc1N(CCCC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 224953771 YDQBEMUBIQQUEJ-NDEPHWFRSA-N 583.726 4.545 0 40 KJAB COc1cccc(CN(C(=O)CCCN(C)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 225122319 KXHLTJNHCPGBTP-HKBQPEDESA-N 591.774 4.795 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1C 225133863 INTROTQUGNZMFY-NRFANRHFSA-N 534.122 4.589 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 225153625 XDUODTIIAVVXJN-FCHUYYIVSA-N 600.137 4.639 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 225165919 NUWUDDIIRFTNLP-HHHXNRCGSA-N 521.683 4.524 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 225205652 DRAKZJSQAHZFCV-OAQYLSRUSA-N 548.920 4.746 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 225214739 FFVGNCGIXWZVPN-MHZLTWQESA-N 561.720 4.637 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1C 225721210 YBOGQTPWVSBQNI-QFIPXVFZSA-N 580.589 4.802 0 40 KJAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccc(Cl)cc3)n2)cc1 225795104 CWZCBBWFSPCPBN-UHFFFAOYSA-N 557.053 4.644 0 40 KJAB COc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)cc1 225795955 DCPQPVULNGLTEJ-INIZCTEOSA-N 519.044 4.519 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 260938935 ZKXAMNHMHIFIMN-RPWUZVMVSA-N 581.735 4.540 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1 260948064 RBUOMYWBFAMWAJ-JOCHJYFZSA-N 587.689 4.748 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 260999990 RPFYACDXWXUSOJ-HOTGVXAUSA-N 593.371 4.854 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 261036494 YGGWATCJBGWHFC-HHHXNRCGSA-N 660.631 4.787 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 261057014 MZFYJGHKWQCINB-HXUWFJFHSA-N 566.562 4.636 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 261118002 YWLLPIUDPDTHAW-FUFSCUOVSA-N 549.737 4.570 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)C1=O)Nc1ccc(F)cc1 408543651 RWYKINHKYUHIKZ-JJFYIABZSA-N 519.510 4.795 0 40 KJAB COc1cc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)cc1Cl 408627443 MMWGWHPWLBXPHD-UHFFFAOYSA-N 535.018 4.517 0 40 KJAB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)cc2)c1 408638103 BVMMCLCUINPEPH-PQFBZJLDSA-N 611.050 4.861 0 40 KJAB CC1=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@H]4CC(=O)N(c5cccc(Cl)c5C)C4)cc3C)C(=O)[C@@H]2C1 408655315 GYBRYLLAVCJYJQ-SESVDKBCSA-N 506.986 4.761 0 40 KJAB CCN(c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1)S(=O)(=O)c1ccc(SC)cc1 408701968 IIEBNUAQBQXAAT-UHFFFAOYSA-N 509.697 4.582 0 40 KJAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1Cl 408712282 HECSJPAQKAJQQD-OAHLLOKOSA-N 572.492 4.596 0 40 KJAB COC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)sc2c1CCCC2 408714663 UKZUFMDRTJLCNX-UHFFFAOYSA-N 545.510 4.901 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408823104 CNULQPBNCIBIRO-UQDCTOEPSA-N 694.547 4.989 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 408845312 VVWMVOKFKPQWOP-FUFNRSNVSA-N 663.546 4.847 0 40 KJAB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 408898102 UOFZDNNHINSRBV-HMAPJEAMSA-N 527.023 4.585 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3sccc3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408915966 SMCGQNDFAVIGKI-LMTOTAIGSA-N 530.671 4.704 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)o3)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br 409094527 DNQICSYTBIXXQG-YXFINDDBSA-N 657.568 4.502 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(Br)c(Sc4nc(C)cc(O)n4)o3)c2=O)=N1 409105257 KGNNYSAEVJJPSP-WDONWYDGSA-N 701.621 4.906 0 40 KJAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cn(CC(=O)N3CCCC3)c12 409131750 YTYVLZVYLHLZND-UCQKPKSFSA-N 534.613 4.640 0 40 KJAB CCCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(OC)cc2)C1=O 409156414 NQRXKBUQWFPGNK-XDHOZWIPSA-N 505.390 4.922 0 40 KJAB Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)n1C 409164972 QKRBSHXSDJRFBQ-UHFFFAOYSA-N 557.499 4.670 0 40 KJAB COc1cc(C(=S)N2C[C@H](C)O[C@H](C)C2)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 409264073 JNJNAJYWPJFTLN-CALCHBBNSA-N 521.477 4.877 0 40 KJAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)n2C)cc1 409358475 UTZAJFMXLAUXDI-UHFFFAOYSA-N 513.048 4.812 0 40 KJAB Cn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 409366890 WHWKYVUGRUXLMB-UHFFFAOYSA-N 518.348 4.802 0 40 KJAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CCO2)C1=O 643557233 RDOYSDPZXJPDSY-PMERELPUSA-N 520.601 4.951 0 40 KJAB O=C(O)CCC(=O)N1CCCN(Cc2ccc(Cl)cc2)CCCN(C(=O)C2CC2)c2ccccc2C1 643572909 OOAWSXBZQQJSBZ-UHFFFAOYSA-N 512.050 4.572 0 40 KJAB Cc1ccccc1CC(=O)N1CCOc2ccc(-c3cncnc3)cc2Cc2cccc(c2)C(=O)N(C)CC1 643581852 DLKCWYFCNHAJRQ-UHFFFAOYSA-N 520.633 4.579 0 40 KJAB O=C(CN1CC[C@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3)Nc1nc(-c2ccc(F)cc2)cs1 2037879331 OMTVFNZLSYGQQV-MKYKQAKUSA-N 645.801 4.569 0 40 KJAB COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(Nc3ncc(Cl)cc3Cl)C2=S)cc1 719209 TZERONMLMXJDIE-IBGZPJMESA-N 516.410 4.755 0 40 KJAB CCOC(=O)c1c(NC(=O)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)sc2c1CC[C@@H](C)C2 2087816 SGOHYFVMHGQJMR-ZIAGYGMSSA-N 532.684 4.990 0 40 KJAB O=C(O[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3251552 IJESMZUDHLBUFH-HSZRJFAPSA-N 582.984 4.917 0 40 KJAB O=C(COC(=O)c1ccc(I)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 3288129 SWRHJULDWOIWKS-UHFFFAOYSA-N 519.722 4.971 0 40 KJAB COc1ccc(CN(Cc2ccco2)[C@@H](c2cccc(F)c2)c2nnnn2CS(=O)(=O)c2ccc(C)cc2)cc1 6198782 JMKPPCCHYAXTME-NDEPHWFRSA-N 561.639 4.945 0 40 KJAB O=c1[nH]c2cc3c(cc2cc1CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)OCO3 6445590 BKCHJSFEIUBGGT-UHFFFAOYSA-N 519.417 4.543 0 40 KJAB O=C1C(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)Nc2ccc3c(c2)OCO3)c2c[nH]c3ccccc23)c2ccccc21 8712550 QTNIWKNBAFJTMB-HKBQPEDESA-N 604.594 4.974 0 40 KJAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC)cc2)N1C(=O)Nc1ccc(OC)cc1OC 9033948 PJIPYDGONPUTNF-SQHAQQRYSA-N 515.566 4.915 0 40 KJAB biogenic O=C(CSc1nnc(CNC(=O)c2cccc3ccccc23)n1-c1ccccc1)Nc1nccs1 9404205 PVJNLLCHQBUPMJ-UHFFFAOYSA-N 500.609 4.538 0 40 KJAB COc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(sc21)CCCC3 9615600 WWMCEBMATUUMMY-UHFFFAOYSA-N 524.042 4.647 0 40 KJAB O=C(NCC(=O)N(c1cccc2ccccc12)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1)c1cccs1 12489352 QHGVCWIDQBKASD-LXFBAYGMSA-N 527.646 4.701 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)c2cc(Cl)cc(Cl)c2)cc1 19856628 WEILDUVCDMSOEW-UHFFFAOYSA-N 507.395 4.542 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)/C=C/c2ccc(Cl)cc2)cc1 19927926 WEAQYOLGXXAIOZ-OMHSXHNCSA-N 517.969 4.913 0 40 KJAB COc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 20235851 XPQFXWSRZUGHJW-UHFFFAOYSA-N 522.667 4.689 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C 33777922 QTKCTOLXKCWATQ-NRFANRHFSA-N 502.040 4.818 0 40 KJAB Cc1c(CCC(=O)NCCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 70706906 DPOVBFXREPDLHD-MHZLTWQESA-N 566.610 4.766 0 40 KJAB biogenic O=C(CCc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)NCCCN(Cc1ccco1)C1CCCC1 97986875 IVVJLSQOOSODEH-UHFFFAOYSA-N 552.679 4.569 0 40 KJAB CC[C@H](C(=O)c1ccc(Br)cc1)[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)OC)C(=O)N1CCOCC1 98007054 YWXVLGOBRNGOOM-BDTNDASRSA-N 536.850 4.743 0 40 KJAB C[C@H]1N[C@]2(C(=O)N(Cc3ccc(F)cc3)c3ccccc32)[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 100164771 SIZOWOMSYOWCDN-SPBCFDDISA-N 505.549 4.519 0 40 KJAB Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2c[nH]c3ccccc23)cc1C 100325729 MLEISIJBNWJQAV-VWLOTQADSA-N 544.681 4.759 0 40 KJAB Cc1ccc(S[C@@]2(CN3CCOCC3)COc3c(Br)cc(Br)cc3[C@@H]2O)cc1 100954833 HSCDDZQBOFWQRM-SFTDATJTSA-N 529.294 4.809 0 40 KJAB CCN(CC)c1cc(C)nc(Nc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)n1 100957834 ROLHHOHQAOIQRW-UHFFFAOYSA-N 537.427 4.780 0 40 KJAB COc1cccc(NC(=O)[C@@H](OC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c2ccccc2)c1 103102119 APCWFXSDPSDRJI-NDEPHWFRSA-N 542.613 4.983 0 40 KJAB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cccc(I)c3)cc2Cl)CC1 103933445 HHMSUZRZBIKSHW-UHFFFAOYSA-N 525.818 4.892 0 40 KJAB COc1cc(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1NC(=O)c1ccccc1Cl 105314957 UMDMILMFJJNRKH-UHFFFAOYSA-N 530.002 4.754 0 40 KJAB O=C(NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1)c1cc(I)ccc1Cl 105355773 YDSYSAKWAUEQPM-UHFFFAOYSA-N 548.793 4.952 0 40 KJAB COc1ccccc1Oc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 138971058 AJCVETZZXYVWSX-SFHVURJKSA-N 508.958 4.984 0 40 KJAB O=C([C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 139721999 HILDQXWWUGIERO-PMERELPUSA-N 545.749 4.595 0 40 KJAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)OCC(=O)Nc1c(I)cc(I)cc1I 150494488 NEGDPGBIRWFKFM-KRWDZBQOSA-N 750.084 4.576 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(OC(=O)c4ccc(OC)cc4)cc3)c2=O)=N1 164193889 XBIMGLXOIHTJOP-HVDVVURSSA-N 642.730 4.824 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)S(=O)(=O)c1ccc(Cl)cc1 197861302 CYRSLVKPYISPOZ-UHFFFAOYSA-N 630.148 4.780 0 40 KJAB Cc1cc(I)ccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 216485839 BXJABBNKYZHXDN-UHFFFAOYSA-N 577.282 4.543 0 40 KJAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCCCNc2ccnc3cc(Cl)ccc23)CC1 222584698 ZOIHEMZDBDFUKL-UHFFFAOYSA-N 565.523 4.959 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 222689819 HTRCDHXYYHXEFL-QHCPKHFHSA-N 571.571 4.555 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 222693444 SDJMFMGODLZECS-IBGZPJMESA-N 548.492 4.660 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 222811632 XPKLELBUAJVNOW-GDLZYMKVSA-N 565.736 4.839 0 40 KJAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2 222828269 QXNFCQUXHZGWEH-UHFFFAOYSA-N 624.568 4.983 0 40 KJAB CCOc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@@H](CC)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 222911617 AJNPFQRHAYUVED-NDEPHWFRSA-N 579.763 4.964 0 40 KJAB CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 222911717 SCMMIQOPMORBIW-PMERELPUSA-N 579.763 4.964 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 223029903 DVMAFOUINCLDGV-NRFANRHFSA-N 616.578 4.985 0 40 KJAB COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)N(Cc2ccc(Cl)cc2)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 223080150 ABIIJXGEOZUQAZ-DHUJRADRSA-N 706.261 4.747 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 223384522 JSPMZNPYAHFMKQ-JOCHJYFZSA-N 586.980 4.899 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223459287 KNWKBAAYTHQBOF-WJOKGBTCSA-N 603.716 4.806 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cccc3ccccc23)c2cc(C)cc(C)c2)cc1OC 223521553 CHAYCQRUIDSBJP-UHFFFAOYSA-N 548.661 4.864 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1cc(OC)cc(OC)c1 223580148 FSHQEZOGMAUBLP-AREMUKBSSA-N 555.469 4.621 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223614219 PFTFLGCDZLGEQV-GDLZYMKVSA-N 565.736 4.923 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccccc1OCC)S(C)(=O)=O 223741878 LQUMLRPVCVBPTJ-VWLOTQADSA-N 545.746 4.664 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)NCCOc1ccccc1C(C)C)S(=O)(=O)c1ccccc1 223751724 CSBXFXZBFPMACM-UHFFFAOYSA-N 517.047 4.863 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223808985 HNQNZLKMQVMPSR-VWLOTQADSA-N 547.721 4.975 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223810083 JNSOIQLBONCAPN-WXVAWEFUSA-N 658.615 4.541 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 223857607 GZEHSOFSSKSHOS-UHFFFAOYSA-N 562.644 4.807 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 223955811 QGLMOQCUCLMWJI-OAQYLSRUSA-N 632.577 4.605 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 224050843 XYHRCIAFMMVWSU-OAQYLSRUSA-N 542.529 4.526 0 40 KJAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224056142 JIWXWTVVIKWOTQ-NDEPHWFRSA-N 595.762 4.665 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 224191274 OSCRBACWHOPSKT-MHZLTWQESA-N 527.731 4.716 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 224341261 SIKZLWNCEZPVJJ-QHCPKHFHSA-N 554.540 4.934 0 40 KJAB COc1cccc(N(Cc2ccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)cc2)S(C)(=O)=O)c1 224693600 XJFVNXLDJHHQKQ-UHFFFAOYSA-N 501.608 4.900 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 224745089 HWBAPRCJAPFSPF-JOCHJYFZSA-N 542.101 4.787 0 40 KJAB Cc1cc(I)ccc1N(Cc1ccc(C(=O)NCC2=CCCCC2)cc1)S(C)(=O)=O 224836630 SFGPLCGYGKABGW-UHFFFAOYSA-N 538.451 4.796 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)cc1 224964694 TZQAFZIOWHARFR-SFHVURJKSA-N 570.539 4.634 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 224989767 XEFCIRFXXLNXKI-BJKOFHAPSA-N 551.709 4.531 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 224991842 RGIYATJLBPDHSQ-HSZRJFAPSA-N 613.802 4.955 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 225021359 JAOZWJKSDWUVJQ-AREMUKBSSA-N 712.448 4.984 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 225149385 YMHUAPJYHBNNQP-VWLOTQADSA-N 592.158 4.524 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225185621 VYMKWASZSPNBJP-OAQYLSRUSA-N 603.688 4.511 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 225297656 WKSZRVNTGIPPQI-NDEPHWFRSA-N 570.155 4.971 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 225368237 QWTMRJSMEUMVJP-MUUNZHRXSA-N 565.736 4.841 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 225369626 IQSNHNZOLDNHNE-MUUNZHRXSA-N 595.762 4.931 0 40 KJAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 225426008 VETOFWMREATECY-NDEPHWFRSA-N 549.737 4.875 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 225449782 QQLSRMUUAMVZDZ-GDLZYMKVSA-N 598.165 4.865 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC)S(=O)(=O)c1ccc(SC)cc1 225458959 FWFBWQSKIGPHCN-FQEVSTJZSA-N 634.618 4.928 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 225476217 FUQVTRMBBGGEIV-JOCHJYFZSA-N 586.552 4.733 0 40 KJAB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C(=O)O)cc1)Nc1ccccc1F 225617965 HMKBQGUOEIQYJX-CLJLJLNGSA-N 529.597 4.711 0 40 KJAB O=c1sc2cc(S(=O)(=O)NCc3nc(-c4cccc(Cl)c4)no3)ccc2n1Cc1ccccc1Cl 225808330 USTARFYEHIBJPS-UHFFFAOYSA-N 547.445 4.947 0 40 KJAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)C1 226050242 HDQMCOBQFWVSCI-LJQANCHMSA-N 547.077 4.875 0 40 KJAB CCc1ccc(C(=O)COC(=O)CCC2=N[C@@H]3SC4=C(CCCC4)[C@H]3C(=O)N2C[C@H]2CCCO2)cc1 245237576 OIVNDJFRJAPNSU-LNYUQPRGSA-N 510.656 4.692 0 40 KJAB CCOC(=O)C1=C(C)N=c2sc(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 254304613 WOTHAYKLHDWWBL-UMSFTDKQSA-N 694.766 4.602 0 40 KJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(COc2ccccc2)(CC(=O)N2CCOCC2)CC1 257316430 VFNZMWMBCQQQEQ-UHFFFAOYSA-N 538.044 4.854 0 40 KJAB 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506.455 4.765 0 40 KJAB COc1cccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccc(C)cc2C)c1 11916990 RLNHPTXRUCWYSC-UHFFFAOYSA-N 520.611 4.558 0 40 KJAB Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)Nc3ccc4c(c3)OCO4)[nH]2)cc1 12252290 DWMSHCWRADERHE-UHFFFAOYSA-N 507.593 4.677 0 40 KJAB Cc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C(C)C)cc2)cc1 12479579 IGCDEMMLIPZEAL-DEOSSOPVSA-N 521.687 4.806 0 40 KJAB CCOc1ccc(NC(=O)COC(=O)c2ccccc2OCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 12604726 GYQMJVQMIQJFGC-UHFFFAOYSA-N 512.946 4.560 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2F)c2ccc(C)cc2)cc1 19856861 WOQOQWNWGQRLAK-UHFFFAOYSA-N 507.381 4.739 0 40 KJAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N(Cc3ccc(F)cc3)Cc3ccco3)cc2c1 33936805 LGZIRDGJQXQINT-SQHAQQRYSA-N 528.588 4.526 0 40 KJAB CC[C@@H](c1nnnn1C[C@H]1CCCO1)N(Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 33937057 WIFVBSAEACWIDT-SQHAQQRYSA-N 500.647 4.772 0 40 KJAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)cc1 38752475 SMRCNXBMXCMGHH-MRXNPFEDSA-N 502.614 4.633 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2Cl)Cc2ccccc2)cc1OC 59444189 LBVQSWXANMHMCU-UHFFFAOYSA-N 509.411 4.840 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1Cl 59852418 BBCXHHAPKZERLL-UHFFFAOYSA-N 550.992 4.507 0 40 KJAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)cc2)cc1 59853160 CNQBLHIYFIJSIY-UHFFFAOYSA-N 597.744 4.694 0 40 KJAB C[C@](N)(Cc1ccccc1)C(=O)Oc1ccc(-c2coc3cc(OC(=O)[C@H](N)Cc4ccccc4)cc(O)c3c2=O)cc1 72324090 GMRPECMMQVCOST-YJNPBZNESA-N 578.621 4.507 0 40 KJAB biogenic COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc12 96116055 KUIYBDKAPLJVQY-LJQANCHMSA-N 506.507 4.592 0 40 KJAB biogenic C[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 97963923 GLUBDTZLVXASPG-SBUREZEXSA-N 538.508 4.880 0 40 KJAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 97963925 GLUBDTZLVXASPG-GAJHUEQPSA-N 538.508 4.880 0 40 KJAB O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 97994515 KQPGKVBGROPTGN-KRWDZBQOSA-N 537.063 4.932 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCc3ccccc3F)C2=S)cc1 97995482 IVXQBNZAGGPGFV-VWLOTQADSA-N 549.624 4.585 0 40 KJAB O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1)c1ccccc1 102749941 JJNKLCHCGHCRMY-UPRLRBBYSA-N 504.542 4.953 0 40 KJAB O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCN(Cn2nc(-c3ccccc3)oc2=S)CC1 102991085 JXQHCAHERRYVRJ-UHFFFAOYSA-N 564.314 4.906 0 40 KJAB Cc1ccc(NC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N(C)C 103007147 DUHPPLZMBKTJPX-UHFFFAOYSA-N 535.544 4.534 0 40 KJAB CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)sc(C)c1-c1ccc(C)cc1 103113467 JJPXMUQIBYUWTM-UHFFFAOYSA-N 570.689 4.789 0 40 KJAB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cccc(I)c5)c(=O)n42)c2ccccc2CC3)cc1OC 103913467 IQHJVDUGXJSGBQ-MFCBUNOESA-N 606.485 4.941 0 40 KJAB O=C(NCc1ccc(CN2CCCCC2)cc1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 139885834 LMDACATZGOVWJE-HHHXNRCGSA-N 540.085 4.599 0 40 KJAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1cc(C(=O)Nc3ccc4c(c3)OCCO4)ccc1N1C[C@@H]3C[C@@H](C1)c1cccc(=O)n1C3)C(=O)C2 150498328 VSYDUNWHQFTDBF-GMQBJEDISA-N 672.804 4.633 0 40 KJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)ccc2Cl)cc1 215994416 CDVPOLWBXGHNFS-UHFFFAOYSA-N 586.095 4.909 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 222638988 JZHMHWBACKSSGI-FQEVSTJZSA-N 562.519 4.969 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 222720107 IADVCUQJEOTDEB-QFIPXVFZSA-N 542.529 4.708 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 222757604 GEJOGHMBELSUCC-AREMUKBSSA-N 576.546 4.762 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 223008017 FROCNBYPMJQTIB-VWLOTQADSA-N 565.736 4.841 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 223070361 MXSRQRYICFKUCS-HHHXNRCGSA-N 535.710 4.669 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 223184870 FAEFHVVVCZPTOW-LJQANCHMSA-N 542.529 4.873 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(I)cc1 223191731 XJQHDGIFPGXHRF-HZPDHXFCSA-N 573.269 4.765 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223243749 YFRYFLQQAYSZBO-XMMPIXPASA-N 548.492 4.742 0 40 KJAB O=C(NCc1ccccn1)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 223313621 QUJSZZXNYNNGIC-MGBGTMOVSA-N 596.753 4.885 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 223428917 BNIWHKROMSYARW-JOCHJYFZSA-N 616.578 4.987 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 223586709 JJAHVARWRNLDMR-MUUNZHRXSA-N 630.605 4.780 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223714670 MNMJYLSZBNMPEG-DEOSSOPVSA-N 550.165 4.959 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 224007138 KMWCWXCTJSLPDL-LJAQVGFWSA-N 581.735 4.977 0 40 KJAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 224083603 ZIOXQFLIVLXZDJ-HXUWFJFHSA-N 562.519 4.785 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 224095870 PVKCJSMOQSCJQD-NRFANRHFSA-N 560.091 4.864 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224105965 OSLOYYDUBGYRBW-SANMLTNESA-N 572.127 4.796 0 40 KJAB Cc1ccccc1N(CCCC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 224117207 ZRPMDXYBZQMDFW-FQEVSTJZSA-N 566.562 4.636 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 224321813 AQABNGCZGFONKB-SANMLTNESA-N 602.153 4.804 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 224759962 FOHFGLGJBGEZKE-SFHVURJKSA-N 600.526 4.750 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 224988137 WSLPYMAYVORUAL-DHIUTWEWSA-N 537.682 4.577 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 225207373 JTRJYLXQROLTTP-IBGZPJMESA-N 548.920 4.746 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 225269214 CDNGKLQJISRQDT-FQEVSTJZSA-N 566.910 4.886 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 225324450 QVQLYWZAYLIBLM-HZPDHXFCSA-N 578.946 4.753 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 225392347 FKRZSMKLJSNBFO-GDLZYMKVSA-N 565.736 4.841 0 40 KJAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)ccc1NS(C)(=O)=O 225445179 GXKFALPVEJRLCT-MOPGFXCFSA-N 523.503 4.763 0 40 KJAB COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)cc1 225461645 KRXSYXWZIJHXFM-UIOOFZCWSA-N 533.679 4.738 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3nnc(SCC(C)C)s3)Oc3ccc(Cl)cc32)cc1 225547492 PQGYNWJJSDUOSX-IBGZPJMESA-N 539.104 4.843 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 225557480 NQLWVDCUBNXJFF-QFIPXVFZSA-N 572.127 4.876 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 225559431 XHTUACOBPHLJOU-UFHPHHKVSA-N 535.710 4.912 0 40 KJAB COc1cccc(N(CCCC(=O)NCCSCc2c(Cl)cccc2Cl)S(C)(=O)=O)c1 225640040 XSGWILQPAMBQBC-UHFFFAOYSA-N 505.489 4.598 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225673322 QSIXHAUHSSYWGI-IBGZPJMESA-N 542.529 4.729 0 40 KJAB COc1ccc(CN(C(=O)COc2ccc(C(C)C)cc2Br)[C@@H](C)C(=O)NC(C)C)cc1 225677139 QOFHWOBFSFPYHT-SFHVURJKSA-N 505.453 4.902 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCC2(c3ccccc3)CCOCC2)c2ccc(Br)cc2)cc1 225686140 WNJXDLPYLHXBTC-UHFFFAOYSA-N 557.510 4.817 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 225735758 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O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408594724 QJURLXNCYUYEEH-UHFFFAOYSA-N 559.610 4.575 0 40 KJAB Cc1cc(Cl)ccc1N(CC(=O)N1CCN(c2cccc(C)c2C)CC1)S(=O)(=O)c1ccccc1 408631033 ZFJVUYFQHTYCEY-UHFFFAOYSA-N 512.075 4.809 0 40 KJAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OCC(=O)c4ccc(Br)cc4)cc3)CC2=O)c1 408642358 OFBXMLWUNGEIDV-HXUWFJFHSA-N 535.394 4.789 0 40 KJAB Cc1cccc(C)c1NC(=O)CN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408650542 FTVVKMXCGPESNV-CLOGCQCWSA-N 505.401 4.835 0 40 KJAB CCCCOC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2)c1 408671169 YQRDJDATAHEUSJ-UHFFFAOYSA-N 539.810 4.960 0 40 KJAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C[C@H]5c5ccccc5)[C@H]4C3=O)cc2)cc1 408688049 PUSYVPRXJXJXOL-KAKVGEDNSA-N 508.574 4.720 0 40 KJAB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 408902877 MTSMLIKESYIVPW-XKZIYDEJSA-N 598.418 4.737 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408916133 VCGUCRYFBIKDKE-RFZPLYKNSA-N 666.537 4.948 0 40 KJAB COc1ccc(C)cc1NC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OC(C)(C)C 409003854 VOUVUVKKWUSNCI-KRWDZBQOSA-N 652.267 4.993 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc5c(c4)OCO5)c(I)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409049342 ZEAXLYXZESCNKL-QXVWQORNSA-N 812.635 4.661 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 409096596 KMXHCJAXMMZNSD-VXLYETTFSA-N 611.410 4.565 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C3\C(=O)N(CC)c4ccc(Br)cc43)c2=O)=N1 409139113 AASIDVICRIAHSC-JRURIKFDSA-N 644.975 4.740 0 40 KJAB COC(=O)[C@@H]1NC(c2cccc(Cl)c2)(c2cccc(Cl)c2)[C@@H]2C(=O)N(Cc3ccc(Cl)cc3)C(=O)[C@H]12 409190782 QTXXIMBCIMVQLF-RJGXRXQPSA-N 543.834 4.837 0 40 KJAB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc2)cc1 409193048 AQSWBFHOFILTAJ-UCQKPKSFSA-N 547.564 4.605 0 40 KJAB O=C(O)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1CC1CCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC1 585269409 SNPMMMDFDKAGJP-UHFFFAOYSA-N 627.163 4.702 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3n[nH]c(COc4ccccc4)n3)c(=O)cc1[C@@H](NC(C)=O)CC2 604405306 YQOZRWJTZRFDGW-BDYUSTAISA-N 688.807 4.732 0 40 KJAB biogenic CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3cc4cc(Cl)ccc4o3)CCO2)C1=O 643556547 LPORFBBIJPQXTQ-MUUNZHRXSA-N 511.018 4.951 0 40 KJAB CCN1CCCCN(S(=O)(=O)Cc2ccccc2)[C@@H](Cc2ccccc2)COc2ccccc2C1=O 643562528 PNHZUSQTNLZWLJ-SANMLTNESA-N 506.668 4.765 0 40 KJAB COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3nc4c(OC)cccc4cc3Cl)C2)c(OC)c1 1554503110 FXNHDMCOYYAUNH-FQEVSTJZSA-N 511.962 4.847 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)cc1 674237 NTNWTJYBZPJJNA-UHFFFAOYSA-N 522.364 4.743 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2cccc(F)c2)cc1O 906189 FXWFINXRAFUGLV-NDEPHWFRSA-N 531.588 4.508 0 40 KJAB Cc1c(CC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c(=O)oc2c(C)c(OCc3ccc(F)cc3F)ccc12 2454219 DMDHAHVKAKYSCP-ACSYHNTCSA-N 511.565 4.963 0 40 KJAB CCOC(=O)c1c(COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc2ccccc2c1-c1ccccc1 2656133 CPJGDIZMTGDEJN-UHFFFAOYSA-N 518.591 4.686 0 40 KJAB CCc1cccc(CC)c1NC(=O)COC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1 3214273 BPSMFQOEMGTZFH-SANMLTNESA-N 538.641 4.811 0 40 KJAB COc1ccccc1NS(=O)(=O)c1ccc2oc(=S)n(CN3CCN(c4ccc(F)cc4)CC3)c2c1 3243652 YPRHDDKECATKHX-UHFFFAOYSA-N 528.631 4.692 0 40 KJAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 3412491 YUGSLVPCFGDUQY-UHFFFAOYSA-N 502.523 4.975 0 40 KJAB COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Sc5ccccc5)o4)c(=O)n32)cc1 8443031 CNIAFOCSAQPNKX-CINCIDGWSA-N 546.670 4.940 0 40 KJAB CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2c1CCCC2 9599724 QNMMEJOTEBLMFA-UHFFFAOYSA-N 505.706 4.542 0 40 KJAB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c(OC)c1 12662353 PMFNNFMCELNYRP-IXXIRNOKSA-N 511.615 4.638 0 40 KJAB biogenic COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccc(F)cc2)c1 12713031 WFGSVBKRHSELGF-MHZLTWQESA-N 503.578 4.516 0 40 KJAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)OCC(=O)NC(=O)Nc5ccc6c(c5)OCCO6)(C4)C2)C3)cc1C 18272503 ZBHSACAEJILLPB-NZXHGGQVSA-N 518.610 4.804 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccc(Cl)cc1 20009988 SNBKNCLVOCIKAG-IERDGZPVSA-N 507.439 4.769 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 20109435 ATIHDSSTQMDQSB-UHFFFAOYSA-N 526.616 4.654 0 40 KJAB O=C1C[C@H](c2ccc(O)cc2)Oc2c1c(O)cc(O)c2[C@@H]1C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)cc1 38143790 MXEIKUWMKSYEII-XRHWURSXSA-N 542.496 4.727 0 40 KJAB biogenic,in-vitro COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)N[C@H](C)c4ccccc4)cc3)ccc2s1 59836877 OFTMPIWSXOEBHG-QGZVFWFLSA-N 524.620 4.745 0 40 KJAB COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)ccc2s1 59836887 GGEDGSUMEJZIGR-UHFFFAOYSA-N 524.620 4.526 0 40 KJAB COc1cc([C@@H]2c3cnn(C(C)(C)C)c3N=C3NC(=O)N(c4ccc(Cl)cc4)[C@@H]32)c(OC)c2c1OCO2 66091757 WQUMKRWFLNEPMO-RTBURBONSA-N 523.977 4.811 0 40 KJAB O=C(CCCC(=O)N(Cc1ccc2c(c1)OCO2)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1)Nc1ccccn1 100361234 IVFSDPTXLRUPFT-PMERELPUSA-N 560.626 4.887 0 40 KJAB Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@@H](Cc2ccccc2)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 101310144 UOYUMMHOGGOOGO-RJESQKRESA-N 539.941 4.835 0 40 KJAB CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[nH]c2=O)cc1 102606454 MIKJGNRDFMLFQS-UHFFFAOYSA-N 525.574 4.695 0 40 KJAB COc1cc(Nc2nc(SCC(=O)NCCc3ccc(OC)c(OC)c3)nc3ccccc23)cc(OC)c1 102741917 IPKDEFHHXCPCSB-UHFFFAOYSA-N 534.638 4.859 0 40 KJAB O=C(OCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 103101010 DNCYGCNCLYAQME-UHFFFAOYSA-N 534.678 4.680 0 40 KJAB ClC1=C(Cl)[C@@]2(Cl)[C@]3(Cl)C(Cl)=C(Cl)[C@](Cl)(C34OCCO4)[C@@]2(Cl)C12OCCO2 103924664 FKRKMPMWKHWQSJ-PRULPYPASA-N 523.838 4.802 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Cl)cc4Cl)c(=O)n32)cc1 109497401 QPSROOKUWMCOPZ-YOKWNPFVSA-N 531.461 4.892 0 40 KJAB CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cccc(I)c3)cc2s1 112230079 NSORRNYFGPNYMP-UHFFFAOYSA-N 524.409 4.766 0 40 KJAB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc(Cl)c1O 197908285 POHXAGHXDUBDCX-LWUPDDLQSA-N 501.007 4.686 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c2ccccc2Cl)cc1 215919299 BKPUQABPIOGOAH-UHFFFAOYSA-N 571.080 4.678 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 222580238 LCJDCHNHBLQNIV-AREMUKBSSA-N 602.153 4.885 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 222671810 UTMBYDRXWWPPMP-QFIPXVFZSA-N 542.529 4.708 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 222795309 FSFJGFWQKJYLTE-DEOSSOPVSA-N 572.555 4.880 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 222806132 NIDZVPQZWIFYOM-NDEPHWFRSA-N 565.736 4.839 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 222948485 PGEOSVXFAYYPMZ-FQEVSTJZSA-N 590.515 4.645 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(SCc3ccccc3)s2)c2ccccc2)cc1OC 223025259 CWOVRNBPKJIKDG-UHFFFAOYSA-N 556.691 4.682 0 40 KJAB COc1ccc(CN(C(=O)COc2ccc(Cl)cc2Br)[C@H](C)C(=O)NC(C)(C)C)cc1 223082251 UYUKVEZRAMXFJA-OAHLLOKOSA-N 511.844 4.822 0 40 KJAB Cc1c([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n(-c2cccc(Cl)c2)c1C 223128351 JEUOARSSUVOJJP-FTJBHMTQSA-N 510.107 4.756 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 223165769 LLONFCCHNQJJEZ-WOJBJXKFSA-N 574.541 4.700 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3nnc(SC(C)C)s3)Oc3ccc(Cl)cc32)cc1 223268809 VTEXKQUMXOGJDN-SFHVURJKSA-N 525.077 4.595 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223360824 BLVDKNQHSVBDKK-SFHVURJKSA-N 586.538 4.602 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 223412333 GNGGPTNBZYAOTE-GIGWZHCTSA-N 539.676 4.926 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223626414 CXNGRXFMMUGMIB-HSZRJFAPSA-N 541.636 4.504 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223754185 GYVLJTFYUBUZRK-SANMLTNESA-N 592.545 4.544 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 223773676 WRBHQBAFTNBRDC-SSEXGKCCSA-N 579.763 4.634 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 223787269 RUWTYKTYVIPSAO-QHCPKHFHSA-N 527.731 4.580 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)cc1 223795737 CGLLNEULPQYHIZ-VWLOTQADSA-N 547.721 4.975 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)ccc2Cl)c1 223848103 WBKIIBJWALOOGE-QGZVFWFLSA-N 521.060 4.652 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 224112887 TUJYFDBKPQOWFG-AREMUKBSSA-N 616.578 4.905 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc2c(c1)OCO2 224807190 YQOXTMJYNZYCNL-LJAQVGFWSA-N 605.757 4.579 0 40 KJAB Cc1ccc(OCCNC(=O)c2ccc(CN(c3ccc(Br)cc3F)S(C)(=O)=O)cc2)cc1C 224896191 OEPFURLOYNYBSU-UHFFFAOYSA-N 549.462 4.980 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 225022671 VXUWSDCLMXRRBY-HSZRJFAPSA-N 613.802 4.955 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 225111144 BDCJOSRABWRCEU-DEOSSOPVSA-N 564.148 4.679 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225209548 SDYNODKVAQDSLE-HXUWFJFHSA-N 548.920 4.746 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 225325862 SLYIVXDMNSRQPG-HSZRJFAPSA-N 571.571 4.557 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 225328740 XOFFHGPBQNFEGF-HSZRJFAPSA-N 542.529 4.873 0 40 KJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1NS(C)(=O)=O 225492565 DNGFEHSUAQFKCS-CLJLJLNGSA-N 578.672 4.905 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225499050 YDQHWARPTKOACP-QFIPXVFZSA-N 542.101 4.786 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSCc3ccc(Cl)cc3Cl)C2)cc1 225518487 LQTXTKIVPTVSRB-QGZVFWFLSA-N 501.501 4.752 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 225526459 PASYABSZCPNAOZ-WJOKGBTCSA-N 585.726 4.585 0 40 KJAB Cc1c(Cl)cccc1N(CCCC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O 225552658 BHQQXUXGSKPJSD-IBGZPJMESA-N 542.529 4.790 0 40 KJAB O=C(Nc1nnc(S(=O)(=O)NCCSCc2ccc(Cl)c(Cl)c2)s1)c1ccccc1Cl 225867574 NLVQLVKHCMTJTM-UHFFFAOYSA-N 537.903 4.962 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2c(C)cc(Br)cc2C)cc1Cl 226076036 QEXJMMMZCXMILV-UHFFFAOYSA-N 503.846 4.767 0 40 KJAB CCOc1ccc2nc(O)c(CN(C[C@H]3CCCO3)[C@H](CC)c3nnnn3CCc3ccccc3)cc2c1 253500345 DXFTYWBZYWTBCU-XNMGPUDCSA-N 516.646 4.701 0 40 KJAB COc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 260762914 GBXYEDSBLBSEJD-XMMPIXPASA-N 565.736 4.573 0 40 KJAB Cc1ccc(Cl)cc1N(CCCC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O 260897645 UBBSUQSSLLCPQT-LJQANCHMSA-N 586.980 4.899 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O 260975584 NEJKJXGVNBULCZ-IERDGZPVSA-N 546.492 4.621 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 260998923 DWPBXUHMJHXXJW-HHHXNRCGSA-N 570.155 4.969 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 261001337 RTMSIEPZBHRVID-XXBNENTESA-N 541.636 4.502 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 261002479 RYWOXUVOEWLDAU-GCJKJVERSA-N 542.529 4.790 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)N[C@H](C)CC)c2ccc(C)cc2)cc1 261011292 UKIZTTUCPDHGSC-RPBOFIJWSA-N 595.762 4.930 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 261014368 HFZQNQDJHCZLLG-LXFBAYGMSA-N 570.155 4.824 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)N1CCN(c2ccc(F)cc2)CC1 408636711 UBVNYOKSSKEERX-UHFFFAOYSA-N 538.428 4.661 0 40 KJAB Cc1cc(C)cc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1 408686081 RZMUCLLNBSJONY-BABNNPPLSA-N 536.628 4.702 0 40 KJAB Cc1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408688194 QAXNBXNTXSNALZ-WQPXKOACSA-N 536.628 4.784 0 40 KJAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](c5ccccc5)CC[C@H]4C3=O)cc2)c1 408690783 WQWCNYGDGPLCQB-RNJDCESWSA-N 524.573 4.758 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408827149 URXCGEKABUNMBD-XQNWCSQWSA-N 542.657 4.747 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)c(=O)n2[C@H]1c1ccccc1 408857481 GZQXXUNQWIZHOT-QPJBPQEWSA-N 633.520 4.838 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408975158 INNNHOCQKZRHPV-VLOXRPPESA-N 636.362 4.731 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c(OCC)c3)c(=O)n2[C@@H]1c1cccc2ccccc12 409150050 ZBDOUZPIGOOGHP-OCEWKHMESA-N 654.526 4.963 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(F)F)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409151928 CSKPVCSGZZFGPX-DIXABZHVSA-N 550.583 4.562 0 40 KJAB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c(OCC)c1 409161871 ZTECANVTHLDAQZ-YBFXNURJSA-N 505.390 4.922 0 40 KJAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)C1=O 409235108 NVIDBXAUCBFHEK-BUVRLJJBSA-N 591.462 4.869 0 40 KJAB CCOC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1OCC 409342983 HDOQRNJPAGLEGK-MTJSOVHGSA-N 503.960 4.600 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)c1ccccc1 409389556 QJHRMNMWNBRMDD-UHFFFAOYSA-N 507.381 4.739 0 40 KJAB Cc1cc(OC[C@@]2(CC(=O)N3CCC(O)CC3)CCCN(C(=O)c3cccc(N(C)C)c3)C2)cc(C)c1Cl 585287579 OUKGIUQRTZRSNO-SSEXGKCCSA-N 542.120 4.698 0 40 KJAB COc1ccc(-c2n[nH]c(NC(=O)[C@H](CCSC)Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)n2)cc1 604405154 XLYKEXMJOGDHRK-BDYUSTAISA-N 688.807 4.829 0 40 KJAB biogenic CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 728964 MHTVEUKOQITREZ-CYBMUJFWSA-N 527.396 4.978 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)[C@@H]2COc3ccccc3O2)cc1OC 930859 VXLYBHOQAAPAEN-NSOVKSMOSA-N 534.609 4.656 0 40 KJAB CC(C)[C@@H](c1nnnn1CCc1ccccc1)N(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1334490 QIJZKRWZPXSHSL-NDEPHWFRSA-N 556.692 4.990 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 1374745 AXGMWHDBPSKRQL-SANMLTNESA-N 504.610 4.997 0 40 KJAB COc1ccc(CN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@H]3c3cccc(Cl)c3)C2=O)cc1OC 2113727 OGOVJYQTQUMAOM-NEKDWFFYSA-N 515.997 4.724 0 40 KJAB biogenic COc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1 2448403 DMXMMMPKGRBCHA-ZYQDXHPFSA-N 533.506 4.868 0 40 KJAB COc1cc(C(=O)O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc(NC(=O)c2cccs2)c1OC 2653318 UBFBIBQAJMWVIN-UZLBHIALSA-N 508.596 4.757 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccc(N)cc2)cc1Br 3344830 ANMBDUWOTCHBSG-UHFFFAOYSA-N 532.460 4.881 0 40 KJAB COc1cc(C2(c3ccc(O)c(OC)c3)C(=O)Nc3c(Br)cc(Br)cc32)ccc1O 8431845 QOMWHVRXQUWASK-UHFFFAOYSA-N 535.188 4.927 0 40 KJAB COc1ccc(NC(=O)[C@H](c2ccc(F)cc2)N(Cc2ccccc2F)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 8713463 XSWYEEIEXJONRF-LJAQVGFWSA-N 569.564 4.912 0 40 KJAB Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c1C 12529018 TTXKWWVWYKZWTQ-IZZNHLLZSA-N 527.683 4.518 0 40 KJAB O=C(CCCC(=O)N(C[C@@H]1CCCO1)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1)Nc1ccccn1 13027365 DTWCJLSJPOYJMZ-CUBQBAPOSA-N 524.637 4.527 0 40 KJAB O=C(CCCC(=O)N(Cc1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1)Nc1ccccn1 13027581 WXAPFCHOCROUDX-HHHXNRCGSA-N 506.578 4.751 0 40 KJAB O=C(CN(CCc1ccc2c(c1)OCCO2)CC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 13130256 GXQDYSBRIHRJMC-UHFFFAOYSA-N 514.409 4.887 0 40 KJAB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)COc3cccc(C)c3C)cc2)CC1 21579964 WBXZLWXDUPZMDC-UHFFFAOYSA-N 508.018 4.945 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC)c2ccc(OC)cc2)c2ccc(F)cc2)cc1 22370503 PNCWKFGAQHBXHL-VWLOTQADSA-N 500.592 4.696 0 40 KJAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC2CCCC2)cc1)Nc1ccccc1 33058666 CXXQHEQCRSYNKM-UHFFFAOYSA-N 512.635 4.848 0 40 KJAB Cc1cccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N(Cc3ccc(F)cc3)Cc3ccco3)c(=O)[nH]c12 33936829 CWAZEKMEYPCMIR-SHQCIBLASA-N 528.588 4.526 0 40 KJAB COc1ccc(CCNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1OC 59882697 CBLNDPDLWKLCOO-UHFFFAOYSA-N 556.990 4.930 0 40 KJAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1 59928688 GIWOKWNNMZCJSR-UHFFFAOYSA-N 525.371 4.711 0 40 KJAB CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccco3)n2-c2ccccc2OC)c(C(=O)OCC)c1C 97963289 ILDRPXKMKYIQEZ-KRWDZBQOSA-N 641.728 4.642 0 40 KJAB COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2c1CCN(C(C)C)C2 97963416 IFUYFJOEKCIZKK-UHFFFAOYSA-N 549.759 4.856 0 40 KJAB CCOc1cc(C(=O)NCCc2csc3nc(-c4ccc(OC)c(OC)c4)nn23)cc(OCC)c1OCC 97990810 XXKGHEGAHIUHGO-UHFFFAOYSA-N 540.642 4.644 0 40 KJAB OCCCNc1nc(Nc2ccc(OC(F)(F)Cl)cc2)nc(N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)n1 98005057 YFUYMLLGLJOELK-UHFFFAOYSA-N 564.081 4.668 0 40 KJAB COc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2Cc2cc(OC)c(OC)cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 98007097 UYJHTOQXCSODAM-UHFFFAOYSA-N 718.803 4.948 0 40 KJAB COc1ccc(NC(=O)[C@]23C(=O)Oc4ccccc4[C@@H]2[C@@]3(C)C(=O)c2ccc(Br)cc2)cc1 100148951 YPPOPCODFZWNJF-NYMACZPPSA-N 506.352 4.988 0 40 KJAB COc1ccc(C(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccc(OC)c(OC)c2)cc1OC 102451865 JZGOLYXYUAHEEW-UHFFFAOYSA-N 551.621 4.961 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]3[C@@H]3C=Cc4ccccc4N32)cc1Br 102545012 IMIIBNWPHCQBJX-CRJMXQGDSA-N 587.426 4.656 0 40 KJAB O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 102914732 YWENYIYLYZGADF-UHFFFAOYSA-N 556.688 4.580 0 40 KJAB Cc1sc2nc(CN3CCOCC3)nc(Sc3nnc(-c4cccs4)n3C[C@H]3CCCO3)c2c1C 103006686 HENMNHSTARIWFS-QGZVFWFLSA-N 528.729 4.791 0 40 KJAB Cc1c(NC(=O)[C@@H](C)Oc2c(Br)cc(Br)c3cccnc23)c(=O)n(-c2ccccc2)n1C 103073502 ABOQIOOKLBVJLH-CQSZACIVSA-N 560.246 4.964 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NCCC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 108448119 YAPPVSQLPICUCG-ZCYQVOJMSA-N 585.767 4.559 0 40 KJAB biogenic Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2cc(C)cc(C)c2)cc1 108880608 AGYQOOVBOCXDOC-UHFFFAOYSA-N 555.722 4.620 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCC)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 109916009 YBHYJCKROMTSAV-KMBIYUNPSA-N 571.095 4.646 0 40 KJAB O=C(CSC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1nc(-c2cccc(Cl)c2)cs1 113482237 PBSUVWUPAULGHC-GDBMZVCRSA-N 517.101 4.701 0 40 KJAB CN(C)S(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1)c1ccccc1F 113515732 ZVVCJIPXIZNVMK-UHFFFAOYSA-N 552.672 4.954 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)C1=O)N1CCOCC1 214304781 AVBGGYSYWAYCRO-YBFXNURJSA-N 614.287 4.825 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 222571106 IAFFGRBAMKPMQR-XMMPIXPASA-N 522.111 4.561 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 222720260 ILCMIAOVDRBLLD-QHCPKHFHSA-N 542.529 4.708 0 40 KJAB COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(Cl)cc2)C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 222798779 VNZSGPLQCKWYLJ-DEOSSOPVSA-N 612.192 4.842 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 222808182 XRMURZTYFRJCIL-LJQANCHMSA-N 536.138 4.736 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 223332764 UIFHASMHVXUZID-FREGXXQWSA-N 563.764 4.933 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223473857 IBPHFNKCNXMYDU-OAQYLSRUSA-N 546.492 4.621 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 224135686 DPJRMIPFUVGMJT-NDEPHWFRSA-N 614.606 4.998 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 224303641 DQTNIBXKOJXATJ-HSZRJFAPSA-N 631.964 4.577 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 224361969 OOKXOCHKULUWPC-MUUNZHRXSA-N 553.700 4.890 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 224375729 FNFCBFHOSWSMLW-SANMLTNESA-N 592.108 4.939 0 40 KJAB COc1cccc(CN(C(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224631546 QSDBFVBNZYHGQF-NDEPHWFRSA-N 623.772 4.525 0 40 KJAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)O)cc2)c1 224849115 UMXWRHBQASYQRQ-JWQCQUIFSA-N 500.580 4.765 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 224854499 QTBMUPCIZYUUHE-DEOSSOPVSA-N 553.700 4.890 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224969788 STGZMOKPDPBYOB-VWLOTQADSA-N 569.690 4.874 0 40 KJAB 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524730288 DGAOYARMUULRJP-WRONEBCDSA-N 514.534 4.572 0 40 KJAB biogenic COc1ccccc1CNC(=O)C1(Cc2ccccc2)CCN(c2ncc(C(=O)O)c(CCc3ccc(OCCCN)cc3)n2)CC1 585266129 MRSFODIJRCXBTO-UHFFFAOYSA-N 637.781 4.842 0 40 KJAB CC(C)CC(=O)N1CCCN(C(C)C)CCN(C(=O)CCCc2cn[nH]c2)Cc2ccc(Cl)cc21 643566354 XEFCHFZQCSOGMC-UHFFFAOYSA-N 502.103 4.908 0 40 KJAB Cc1ccc(C(C)C)cc1OCCNC(=O)[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)COc2ccccc2C(=O)N1 643578496 DUGLJBVVIDIEFB-CCNCKIRNSA-N 636.834 4.599 0 40 KJAB CCOC(=O)[C@H](Cc1ccc(OCC(=O)OCc2ccccc2)cc1)NC(=O)COC(=O)CCc1ccc(OCC(=O)OCc2ccccc2)cc1 2060990684 HDJRNWFAHOJCAA-DHUJRADRSA-N 711.764 4.697 0 40 KJAB COc1ccccc1O[C@H](C)c1nnc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1-c1ccccc1 657631 TXNUDZMPVUJXKJ-OAQYLSRUSA-N 570.675 4.945 0 40 KJAB Cc1cc(I)ccc1NC(=O)CSc1nc(-c2cccnc2)nn1C(=O)c1ccccc1 679151 YDJFORUOOVTANA-UHFFFAOYSA-N 555.401 4.672 0 40 KJAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(CN2CCOCC2)o1 885667 JHRDPPOMYKXSNZ-MUUNZHRXSA-N 565.692 4.735 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O 1374686 FYGPYQMVRZPEHQ-NDEPHWFRSA-N 542.615 4.873 0 40 KJAB CCCc1cc(=O)n2c(C(=O)Nc3cccc(C(=O)O)c3)c(C(=O)Nc3cccc(C)c3C)sc2n1 1791730 VOFRECZOUSGGQF-UHFFFAOYSA-N 504.568 4.528 0 40 KJAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(Br)cc3)N2C(=O)CN1Cc1cccs1 2118888 XSQRSWYKZHAPMK-URXFXBBRSA-N 506.425 4.877 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccccc3F)c(=O)n2[C@H]1c1ccc(F)cc1 2149184 ZNMRAGHSEOXHIB-BIWBSIMWSA-N 546.595 4.656 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 2680839 UNSHOENUDMUAGG-FVIVVMBBSA-N 506.693 4.818 0 40 KJAB O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)Nc1ccc(OC(F)(F)F)cc1 3233129 BXNDNDXJHQXQGO-UHFFFAOYSA-N 573.343 4.944 0 40 KJAB COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)OCC(=O)N[C@H]1CCCc2ccccc21 3355300 WSXKPFNOCDZNKN-QFIPXVFZSA-N 522.985 4.717 0 40 KJAB COc1ccccc1NC(=O)Cc1noc(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)n1 3421896 XDHGETUMLGPXKM-UHFFFAOYSA-N 513.583 4.503 0 40 KJAB O=C(NC1CCCCC1)O[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccc(-c5ccccc5)cc4)n3)CO[C@H]12 5415314 IQXHBZAHNFCUIQ-FICKONGGSA-N 500.599 4.816 0 40 KJAB biogenic,in-vitro COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N(Cc3ccc(Cl)cc3)C[C@@H]3CCCO3)cc2c1 6015012 DIETXQZYZNFHHS-DHLKQENFSA-N 537.064 4.702 0 40 KJAB COc1ccc(NC(=O)C2(N(Cc3cccnc3)C(=O)CSc3nc(C)cc(C)n3)CCCCC2)cc1 8695678 QAIBGTIDNUGBKY-UHFFFAOYSA-N 519.671 4.960 0 40 KJAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)CC)CC3)c(Cl)c2)cc1Cl 8897067 PCXXJOYVUJPQND-UHFFFAOYSA-N 509.459 4.578 0 40 KJAB COc1ccc(OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@H]4c2cccnc2)cc1 9347746 CKYKJCKEOUNVEU-RUZDIDTESA-N 517.549 4.887 0 40 KJAB CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 9424541 KLIXSFPQTBGDOY-GYCJOSAFSA-N 518.031 4.932 0 40 KJAB CCCOc1ccc(C2C(C(=O)OCC)=CN(Cc3ccc(OC)cc3)C=C2C(=O)OCC)cc1OC 9497478 QXQRLVAROBOHJN-UHFFFAOYSA-N 509.599 4.986 0 40 KJAB CC(C)CCNC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(F)(F)F)c1 13031029 GFEFLWKCJRQTOS-VWLOTQADSA-N 524.547 4.782 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(Cl)c1 13032288 NGMSGAVDPPOTCR-RUZDIDTESA-N 506.006 4.870 0 40 KJAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 20156447 HWKQNGJBUIGPDS-UHFFFAOYSA-N 519.048 4.605 0 40 KJAB O=C(CSc1ncc2c(n1)-c1ccccc1N(Cc1cccc(F)c1)S2(=O)=O)Nc1ccccc1 20582604 FCFMEDXGLCIGEP-UHFFFAOYSA-N 506.584 4.722 0 40 KJAB CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1F)C(c1ccc(Br)cc1)=N2 35397215 KYQBDOTUJDQHDU-UHFFFAOYSA-N 503.441 4.973 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)Cc2ccc(Cl)c(Cl)c2)cc1 59837613 ILGYCLVKEDJIGN-UHFFFAOYSA-N 610.585 4.594 0 40 KJAB COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(F)cc3)n2-c2ccccc2Cl)cc1 97963318 HJVCXRNGYVJPOE-UHFFFAOYSA-N 525.993 4.729 0 40 KJAB CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1 97999398 CFSIFEVQNUPGJV-BRPDVVIDSA-N 575.694 4.927 0 40 KJAB COc1cccc2c1O[C@@]1(C)[C@@H](C(=O)Nc3ccc(C)cc3C)[C@H]2NC(=S)N1Cc1ccc2c(c1)OCO2 100031754 AAWRDIRQBTZOEU-AHPZMPFVSA-N 531.634 4.836 0 40 KJAB O=C(NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1cccc(I)c1 100362378 BLIAEAZXESSXAV-UHFFFAOYSA-N 533.782 4.805 0 40 KJAB CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1ccc(OC)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 100370975 LDWOWEXRHVZBGR-NDEPHWFRSA-N 568.678 4.937 0 40 KJAB CCOc1ccccc1N(C(=O)CCC(=O)Nc1cc(C)on1)[C@H](C(=O)NC(C)(C)C)c1cccc(OC)c1OC 100416557 KKKSDNWFVIGZJB-MHZLTWQESA-N 566.655 4.807 0 40 KJAB CCc1nn2c(nnc3c(=O)n(NC(=O)COc4ccc5ccccc5c4)ccc32)c1-c1ccc(Cl)cc1 102352848 ZRYDNZOBISJVOR-UHFFFAOYSA-N 524.968 4.624 0 40 KJAB Cc1cc(NC(=S)NC(=O)c2cccc(I)c2)c(C)cc1I 105040424 JHVCOMMLCJWEGQ-UHFFFAOYSA-N 536.176 4.639 0 40 KJAB COC(=O)c1c(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@@H](C(=O)c4cccs4)[C@@H]3C2=O)sc(C)c1C 106535997 XRJPOPAWGLBWLU-DXBBTUNJSA-N 518.616 4.611 0 40 KJAB Cc1cc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(C)(=O)=O)ccc1Br 109106608 KNSZCAOOQOCXBE-UHFFFAOYSA-N 586.917 4.616 0 40 KJAB COc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)cc(I)c1O 215227827 DSEWRRXVYLBLIU-OVCLIPMQSA-N 593.180 4.847 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 222860125 CIUXBFHKDJLBRA-JGCGQSQUSA-N 659.805 4.911 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223196280 UVGXQSVIPXOUCR-QFIPXVFZSA-N 542.529 4.790 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 223208772 MQGROGQNGJFSLD-AREMUKBSSA-N 560.091 4.845 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 223395321 WESOOSFVGGVLNJ-HSZRJFAPSA-N 536.138 4.952 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 223427453 WKOUSODJENVOBY-RUZDIDTESA-N 565.736 4.841 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 223606090 HSBMLNYVRRSLLH-GDLZYMKVSA-N 595.762 4.930 0 40 KJAB O=C(NCCOc1ccc2ccccc2c1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 223612470 OJBSYPYRWYAUIL-FQEVSTJZSA-N 521.466 4.884 0 40 KJAB CCOc1ccc(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 223688031 WPRLAVYCTADBSD-UHFFFAOYSA-N 528.646 4.912 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223702686 QPUMZTBIDKKWHJ-IBGZPJMESA-N 638.570 4.768 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)CC(C)(C)C)c2cc(Cl)ccc2OC)cc1OC 223720694 LBEPPZYRFUIHMS-UHFFFAOYSA-N 527.083 4.892 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 223790688 ULYWLAXHIZXDFV-QFIPXVFZSA-N 602.153 4.804 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 223808089 ZYUAOXIBCPLIMK-JIPXPUAJSA-N 618.569 4.909 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223821965 ZPDUWKLGLJJPRP-CLOONOSVSA-N 602.540 4.693 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223928030 IZRDUNTWUDCBRN-LJQANCHMSA-N 586.980 4.901 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 223930915 YXNMNWIEVVTLOH-QFIPXVFZSA-N 586.538 4.602 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 224300161 RBYPWPWOCMJUIB-QHCPKHFHSA-N 554.540 4.934 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 224392681 MOQABYQNPGNGGQ-SANMLTNESA-N 545.721 4.755 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224513374 ZVZKEMRPTSWJBB-UODIDJSMSA-N 594.550 4.645 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224680054 VCFWNKZMOPQSMV-HXUWFJFHSA-N 590.515 4.725 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1C 224858212 BXDMNOGXQJGPMD-NDEPHWFRSA-N 570.155 4.888 0 40 KJAB 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COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)c1 260790017 NANMLOSPKHYNDR-HSZRJFAPSA-N 581.710 4.814 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 260867612 ANOCBABCORPMPI-NHCUHLMSSA-N 552.137 4.617 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 260871604 BCUTURRQMQAQMC-HOTGVXAUSA-N 548.920 4.599 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 260882210 IPXYAADIJUBQJB-XMMPIXPASA-N 565.736 4.642 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 260894199 DFVNQYHJUDLCGU-HOTGVXAUSA-N 548.920 4.745 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 260913893 FZMIIZSWAFFSLQ-ZCYQVOJMSA-N 565.736 4.839 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 261016040 VDXKNYLUOSVHJY-SFTDATJTSA-N 552.137 4.535 0 40 KJAB 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561.723 4.897 0 40 KJAB COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(OC)c(Br)c2)cc1Br 673661 BNZAIEBXPAQRIX-QZTJIDSGSA-N 540.252 4.700 0 40 KJAB COc1ccc(CN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=S)NCCc2ccc(OC)c(OC)c2)cc1 884076 PIUNMDOHWBTEMP-UHFFFAOYSA-N 531.678 4.982 0 40 KJAB CCOC(=O)C1=C(C)N=C2SC(C(=O)Nc3ccc(Cl)cc3)=CC(=O)N2[C@@H]1c1ccc(OC)cc1 1424728 VKGLBNHOVQCXEO-JOCHJYFZSA-N 511.987 4.694 0 40 KJAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 2739373 LVUKPHDLKYFFCZ-UHFFFAOYSA-N 578.079 4.909 0 40 KJAB CCCc1cc(=O)n2c(C(=O)Nc3cccc(C(=O)OC(C)C)c3)c(C(=O)Nc3ccccc3)sc2n1 2887901 SDTGNVVEZRKCHH-UHFFFAOYSA-N 518.595 4.778 0 40 KJAB CCc1cccc2c(C(=O)COC(=O)[C@H](CC(C)C)NS(=O)(=O)c3cccc(C(F)(F)F)c3)c[nH]c12 3302229 VEOUOUPAALPESB-NRFANRHFSA-N 524.561 4.868 0 40 KJAB COc1ccc(/C=C2\N=C(SCC(=O)NCC(F)(F)F)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 3356186 LCTWPBIKLGPNCM-MFOYZWKCSA-N 513.925 4.513 0 40 KJAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 3367428 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COc1ccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)[C@@H](C)C(=O)NCC(C)C)cc1 224466424 KNKYVCPIRIHRTK-QFIPXVFZSA-N 662.205 4.759 0 40 KJAB Cc1cc(C)cc(N(CCCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 224667899 ZYIOSEUUDKWVPF-QFIPXVFZSA-N 548.149 4.979 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 224710799 PUYZVPPZBSBJOS-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224796395 CYHZODJDQPDFBU-FQEVSTJZSA-N 606.116 4.635 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 224961897 UNXDTSWZGKNPIL-VWLOTQADSA-N 535.710 4.751 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)c(OC)c1 224986833 HTEOUYMSYYICLE-UHFFFAOYSA-N 504.992 4.954 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 225013034 MWFYOJTXXOTOGK-OAQYLSRUSA-N 591.652 4.853 0 40 KJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 225056860 WEKLTWXZBCKFMS-QFIPXVFZSA-N 572.127 4.530 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 225109720 BKZWLTXBCVKARZ-DEOSSOPVSA-N 534.122 4.671 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1)c1cccc(Cl)c1Cl 225254362 ZVFZHUXUEZYUGD-GOSISDBHSA-N 521.422 4.529 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 225257031 AORYWTRIOTWOID-OAQYLSRUSA-N 566.562 4.637 0 40 KJAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cn2)ccc1NS(C)(=O)=O 225462988 UDMCDFBTHQAOLR-BJKOFHAPSA-N 539.086 4.778 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 225486093 KKTWLABQKMJFHE-IBGZPJMESA-N 592.943 4.770 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C(=O)O)cc1 225673145 VCASNEKCPIMAJD-SVBPBHIXSA-N 541.633 4.580 0 40 KJAB COc1cccc(N(C)C(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 226025333 DADLQZWBRCMFBB-UHFFFAOYSA-N 537.863 4.965 0 40 KJAB O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 226061654 LJLNHPLMOFJYSB-UHFFFAOYSA-N 645.030 4.981 0 40 KJAB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]2C1 257289810 QAHMTFOUVYZFFZ-ABARMWRLSA-N 536.669 4.994 0 40 KJAB O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCCC2)CC1)c1ccc2nc(C(F)(F)F)[nH]c2c1 257306109 SSYIEUOAKLXSGC-FXSPECFOSA-N 500.565 4.649 0 40 KJAB CN1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)CC1 257324682 WPRRYYWZQCHDQB-AREMUKBSSA-N 588.985 4.802 0 40 KJAB Cc1cc(Cl)ccc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 260764582 UPBYYHCBZXDBDQ-HSZRJFAPSA-N 556.128 4.828 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 260892544 DDEHGAPBGPHOIU-CPJSRVTESA-N 544.117 4.981 0 40 KJAB COc1ccccc1N(CCCC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 260902300 VIEQOTFNXLLEPE-GDLZYMKVSA-N 579.763 4.715 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 260994730 QPGLHIXEBGDMEF-OUTSHDOLSA-N 565.736 4.921 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 261042841 YUSMKMHAQPAFDR-CUNXSJBXSA-N 599.725 4.760 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 261046901 ZJOCDXJOWNODAM-PKTZIBPZSA-N 539.673 4.661 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 261059174 NKCJBPJKQDKLEH-LXFBAYGMSA-N 570.155 4.969 0 40 KJAB CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O 299754572 RRBJZTPVMBBJNT-AYCKEJKLSA-N 554.640 4.849 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)N1CCN(c2cccc(Cl)c2)CC1 408555934 BINGFQKTGXTMDO-UHFFFAOYSA-N 553.990 4.887 0 40 KJAB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)Nc1ccc(Br)c(Cl)c1 408659382 SGULRXYFPRURDH-HNNXBMFYSA-N 501.764 4.791 0 40 KJAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(=O)OCC(=O)Nc4ccc(Br)c(Cl)c4)c3)C(=O)[C@@H]12 408682813 GZMDAFAKOAGGGW-RBLYABSFSA-N 543.801 4.600 0 40 KJAB CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc(I)c1OC(C)=O 408941009 PCPXZTUMNPDDGH-FUFNRSNVSA-N 709.562 4.811 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 408982246 CXEUUZQLLSSLHA-RWTNITNYSA-N 774.415 4.814 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(-c4ccccc4)[nH]c4ccccc34)c(=O)n2[C@H]1c1ccccc1OC 408995995 CKUGEJVHXWYIIF-FJSZTYFPSA-N 549.652 4.955 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409027758 QURQKJPFFVSJON-UHFFFAOYSA-N 504.992 4.590 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)o3)c(=O)n2[C@@H]1c1cccs1 409088346 LEXSKPPIJDZJGI-ZOSFRFIDSA-N 572.693 4.531 0 40 KJAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OC)c3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1 409100235 VPLWPAIDGWAIQH-BUVRLJJBSA-N 579.606 4.926 0 40 KJAB CSc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccc(C)cc2)cc1 409121905 VRVRFRYMULRDJN-UHFFFAOYSA-N 530.115 4.914 0 40 KJAB O=C(CN1C(=O)N/C(=C/c2ccc(OCc3cccc(F)c3)c(I)c2)C1=O)Nc1ccccc1F 409216843 MDABSSGWMCTOEI-CIAFOILYSA-N 589.336 4.680 0 40 KJAB COc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 409265806 PHVCYSYBTUPYCN-HZPDHXFCSA-N 507.450 4.568 0 40 KJAB CCCc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]4CCCCN4C[C@H]4COC(C)(C)O4)CC3)n2)s1 585263635 XDLHKFLXDOVBII-URXFXBBRSA-N 527.735 4.946 0 40 KJAB CC(C)CN1CCCN(C(=O)Cc2ccccc2)c2ccccc2CN(C(=O)c2nnc(O)c3ccccc23)CC1 618017222 HPXMTVBKXULPBL-UHFFFAOYSA-N 551.691 4.915 0 40 KJAB COc1cccc(-c2cc(C(=O)N3CCN(C)CCCN(C(=O)CC(C)C)c4ccccc4C3)no2)c1 643554897 POLKYZDFACSDPJ-UHFFFAOYSA-N 504.631 4.707 0 40 KJAB O=C(c1ccc(C(F)(F)F)cc1)N1CCCCC2(CO)CCN(CC2)C(=O)c2ccccc2OCC1 643575377 QKHHQNNONXRIKA-UHFFFAOYSA-N 504.549 4.625 0 40 KJAB COCCN1CCN(C(=O)c2cnc(N3CCC[C@@H]3c3ccc(Br)cc3)nc2CCc2cccc(F)c2)CC1 1615528538 BAZLPALYAYOBHF-MUUNZHRXSA-N 596.545 4.909 0 40 KJAB Cc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2NC(=O)COc2ccc(C)cc2Br)c(Br)c1 673737 DKNGARKVASESFD-PMACEKPBSA-N 568.306 4.830 0 40 KJAB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1cc(Br)c(O)c(Br)c1 679324 RSDVRUZMBYCWDE-QGZVFWFLSA-N 510.182 4.631 0 40 KJAB COc1ccc(CCN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)Cc2nnnn2C2CCCC2)cc1OC 927132 DAYBAFBAHXTNSW-UHFFFAOYSA-N 516.646 4.509 0 40 KJAB COC(=O)c1cccc(N(C(=O)[C@@H]2COc3ccccc3O2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c1 931010 KJCCMCXFWSQVJU-AZGAKELHSA-N 534.634 4.898 0 40 KJAB COc1ccc(NC(=O)CSc2nc3nc4c(cc3c(=O)n2-c2cccc(C)c2)COC(C)(C)C4)cc1 1305306 IWJBVHNWDQAGRQ-UHFFFAOYSA-N 516.623 4.680 0 40 KJAB O=C(CSc1ncccc1C(=O)OCC(=O)N[C@@H]1CCCc2ccccc21)N[C@H]1CCCc2ccccc21 3221183 LQBWOZHMNRLJJN-FTJBHMTQSA-N 529.662 4.718 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cccc(C(C)=O)c3)n2-c2ccccc2)c1 3268955 STGKSIWNQBMJFT-UHFFFAOYSA-N 563.705 4.898 0 40 KJAB CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1OC 3656133 YEAKPNJYTBFOJK-VWLOTQADSA-N 503.482 4.814 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Br)c(C)c2)cc1OC 6146603 MLJNCCJCVDKLRH-UHFFFAOYSA-N 505.390 4.828 0 40 KJAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(C(=O)N[C@H](C)c4ccccc4)cc2)C(=O)[C@]31C 8918072 GZJGIXMAUBITFQ-JJCDCTGGSA-N 508.578 4.908 0 40 KJAB biogenic Cc1ccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4c3ccc(Oc4ccccc4)cc3)n(C)c2=O)cc1 10252501 BOWNWBZFVVYQSN-NRFANRHFSA-N 507.594 4.834 0 40 KJAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1 12469576 FLWJWECEIYWPLB-UHFFFAOYSA-N 502.687 4.522 0 40 KJAB CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)c2cccc(OC(F)F)c2)nc1C 12649291 NLVBVPWJXJHMGC-UHFFFAOYSA-N 504.511 4.620 0 40 KJAB COC(=O)c1ccc(Oc2coc3cc(OC(=O)[C@H]4CCCN4C(=O)OC(C)(C)C)ccc3c2=O)cc1 12660990 GKBINEDJONDXSH-HXUWFJFHSA-N 509.511 4.677 0 40 KJAB biogenic COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccccc2F)c1 13028734 WDIVIRBCAMVETK-NDEPHWFRSA-N 515.589 4.802 0 40 KJAB COc1cccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2cc(C)cc(C)c2)c1OC 13029329 RSXQBNPFWIPPDM-HHHXNRCGSA-N 529.641 4.755 0 40 KJAB CCOc1ccc(N2C[C@H](C(=O)Nc3cc(OC)c(Br)cc3Br)CC2=O)cc1 15013966 NZHBOEJZJIWKIY-GFCCVEGCSA-N 512.198 4.611 0 40 KJAB CCN(Cc1ccccc1)[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)c1nnnn1C1CCCCC1 20080602 OTULQNBAAILLAA-AREMUKBSSA-N 502.619 4.649 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2)c2ccc(C)cc2)cc1Br 20111590 MNWQBVLWTRCQKG-UHFFFAOYSA-N 509.466 4.753 0 40 KJAB CCOc1ccccc1N(CC(=O)NCCSCc1cccc(Cl)c1)S(=O)(=O)c1ccccc1 20233888 MVYOVOYQANZJEL-UHFFFAOYSA-N 519.088 4.984 0 40 KJAB COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NCCCOC(C)C)cc3c2)cc1Cl 20448190 YBAPATDGKBEZPO-UHFFFAOYSA-N 511.065 4.933 0 40 KJAB O=C(NCCCc1ccccc1Cl)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 20480969 UAQJIUQJJOPWRI-UHFFFAOYSA-N 503.879 4.938 0 40 KJAB COc1ccc2[nH]cc(CCN3C(=O)[C@@H](CC(=O)Nc4ccc(F)c(F)c4)n4c3nc3ccccc34)c2c1 21005905 HORHCBQHOUIIBI-RUZDIDTESA-N 515.520 4.964 0 40 KJAB CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N12)C(=O)Nc1ccc2c(c1)OCO2 29749157 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CCN(CCCNC(=O)c1ccc2c(=O)[nH]c3c(C(=O)NC4CCCC4)sc(=S)n3c2c1)c1ccccc1 102742663 JEXBPUUMFDPVKS-UHFFFAOYSA-N 549.722 4.891 0 40 KJAB O=C(NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 103021394 LWLSRPFAIBVLGU-STZFKDTASA-N 568.504 4.634 0 40 KJAB COc1cc(NC(=O)CSC2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)cc(OC)c1 103132412 GIYHSSFNXCEIBM-AUEPDCJTSA-N 531.590 4.857 0 40 KJAB COc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1 103533564 AQJVLBHXEAPHRD-ZYQDXHPFSA-N 529.390 4.856 0 40 KJAB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4I)cc3)CC2)cc1 105354253 BFGCUWRUSYGDRK-UHFFFAOYSA-N 541.389 4.515 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NC3CCCCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 108447412 WAMXTLXMRYMBCZ-UUOWRZLLSA-N 551.684 4.502 0 40 KJAB biogenic CCOc1ccc(C(=O)NC(=S)N(Cc2ccc(OCC(N)=O)c(OC)c2)C2CCCCC2)cc1Br 112244716 NQAYPFVLWBTKSU-UHFFFAOYSA-N 578.529 4.570 0 40 KJAB 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O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1cccc(I)c1 8901460 HRENYRAVHXCLFR-UHFFFAOYSA-N 511.363 4.506 0 40 KJAB COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cn(-c4ccccc4)nc3-c3cccc(OC)c3)C2)cc1 9260641 DNQWJPDAWUUXTQ-SANMLTNESA-N 502.596 4.667 0 40 KJAB Cc1ccc(OCC(=O)Nc2cc(-c3cccs3)nn2-c2nc(C)c(Cc3ccccc3)c(=O)[nH]2)cc1 11855471 UMRBXBXTMKVHEN-UHFFFAOYSA-N 511.607 4.909 0 40 KJAB O=C(CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)N1CCC(Cc2ccccc2)CC1 12658622 MSQMOHNHYBZCDC-UHFFFAOYSA-N 509.635 4.607 0 40 KJAB CCC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1cc2cccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 13500873 VIQAPDIHYVQBSY-UIOOFZCWSA-N 500.647 4.588 0 40 KJAB Cc1ccc(SCCNC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 13678456 VQMLAPIQMVPYOQ-UHFFFAOYSA-N 501.501 4.752 0 40 KJAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2N=C(/C=C/c3ccco3)C[C@H]2c2ccco2)C1=O 14197149 QYBBDTHHGWTTDM-PWWHKISZSA-N 508.534 4.836 0 40 KJAB Cc1ccc(Cl)cc1N1CCN([C@H](c2cc3ccc(C)c(C)c3[nH]c2=O)c2nnnn2C(C)(C)C)CC1 19973045 RVHUBKIKIYIFFD-RUZDIDTESA-N 520.081 4.760 0 40 KJAB CC(C)N(C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)c1ccccc1 25391327 GTXQPAPKNZOJNB-UHFFFAOYSA-N 513.015 4.690 0 40 KJAB Cc1oc2cc3oc(=O)c(CCC(=O)NCCCCCC(=O)N[C@@H](Cc4ccccc4)C(=O)O)c(C)c3cc2c1C 70706333 DBHQQURTCIJTMF-SANMLTNESA-N 560.647 4.886 0 40 KJAB biogenic COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc(Br)ccc2OC)c1 97995648 ANGQZZSEULWKQS-UHFFFAOYSA-N 538.442 4.819 0 40 KJAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)C2)cc1 98005205 IVWOWUFIEDYRSO-GOSISDBHSA-N 542.419 4.689 0 40 KJAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2)n2c(s/c(=C/c3ccc(OC(F)F)cc3)c2=O)=N1 98042954 LTQYCTWOUGLQCW-OWXSRONMSA-N 531.584 4.784 0 40 KJAB CCOc1ccccc1CCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 100079402 RXCSEBGGLFDISZ-UHFFFAOYSA-N 577.099 4.709 0 40 KJAB O=C(NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccccc1I 100362944 TUDMWPUVXCBYOI-UHFFFAOYSA-N 533.782 4.805 0 40 KJAB CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@]23C(=O)Nc2ccccc23)c1 101321247 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551.709 4.533 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 223107353 YKJIACZCCNODIH-XMMPIXPASA-N 553.700 4.971 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 223179326 DCZMJOMHKSQABD-FGZHOGPDSA-N 580.589 4.944 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 223947247 BOBSIPIIMHGHQA-GOSISDBHSA-N 566.482 4.881 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223969745 OYQUNCWEUFAARO-MUUNZHRXSA-N 627.735 4.525 0 40 KJAB Cc1ccc(Cl)cc1N(CCCC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 224073512 SNXHNOGJPAEJFJ-IBGZPJMESA-N 540.101 4.666 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 224151336 SONZRYPHROHUFF-GOSISDBHSA-N 586.980 4.981 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 224258327 PSZPBBJOQLRWIF-DEOSSOPVSA-N 534.122 4.589 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 224545182 HKAJPDWZHXHCKB-PMERELPUSA-N 593.746 4.765 0 40 KJAB COc1ccc(CNC(=O)c2ccc(CN(c3ccc(Cl)cc3C)S(C)(=O)=O)cc2)cc1OC 224770307 OHRVWMRQEOVJKT-UHFFFAOYSA-N 503.020 4.562 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)[C@@H](C)C(=O)NC2CCCCC2)cc1 224967161 HKNUNAWIYGYZBC-QHCPKHFHSA-N 639.746 4.667 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225055255 HNGIYGSPPQMBHE-RMTZWNOUSA-N 570.517 4.799 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 225181774 QQDDKTMYAXJYEA-RUZDIDTESA-N 524.061 4.973 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 225266758 JOWDPOSIJVMENC-MUUNZHRXSA-N 569.699 4.753 0 40 KJAB CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)cc1 225404796 VXNAKAUHVGSLOY-UIOOFZCWSA-N 533.679 4.820 0 40 KJAB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)ccc1NS(C)(=O)=O 225437069 MUGVDUHJBPQOHP-JWQCQUIFSA-N 520.636 4.899 0 40 KJAB Cc1ccc(CN(C(=O)CCCN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1 225532534 DLSUAZQGHALWJY-FQEVSTJZSA-N 541.636 4.502 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 225536152 QMZGYGCNCXKDNP-WJOKGBTCSA-N 599.753 4.893 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 225549317 SMZZYDKSRRZIIK-MUUNZHRXSA-N 630.605 4.780 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(SC)cc1 225659141 JLGAHNYLKPATQQ-QHCPKHFHSA-N 613.802 4.953 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 225751449 RATFAGOXGPNRIL-NDEPHWFRSA-N 570.155 4.827 0 40 KJAB CCOC(=O)C1(c2ccc(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3cc(C)ccc3C)cc2)CC1 225935912 HLXBYJIGWBBUOR-UHFFFAOYSA-N 520.651 4.728 0 40 KJAB C[C@@H]1C[C@@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NCC3(c4ccccc4)CCCC3)n2)C1 225971002 HDEVMXLGJFLTCP-FGZHOGPDSA-N 508.736 4.594 0 40 KJAB CN(Cc1ccccc1)C(=O)C[C@@]1(COc2ccccc2)CCCN(S(=O)(=O)c2c(F)cccc2F)C1 257338240 YWORJVCPVWKTQQ-NDEPHWFRSA-N 528.621 4.863 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 260740755 MTRABEGFCNYXOF-OAQYLSRUSA-N 602.551 4.595 0 40 KJAB COc1cccc(CN(C(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1 260808772 TVYABCIHOOIFDI-HXUWFJFHSA-N 552.137 4.535 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC)S(=O)(=O)c1ccccc1 260858076 JQQRLJZKIKZHEZ-LJQANCHMSA-N 562.519 4.914 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)[C@H](C)C(=O)NCC(C)C 260875648 GTWXSYXPZGHPBI-HSZRJFAPSA-N 539.673 4.519 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1 260890768 LMTZUAUOKQXHBY-XMMPIXPASA-N 553.700 4.827 0 40 KJAB CS(=O)(=O)N(CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc2c(c1)OCCO2 260951965 FLECHGZGVAGWPJ-SSEXGKCCSA-N 619.784 4.703 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)N[C@@H](C)CC)S(C)(=O)=O 260983029 OJDPKHAMNQGJOY-ZWKOTPCHSA-N 542.529 4.654 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc2c(c1)OCCO2 261010186 SBFNGPLJLDOHSB-GDLZYMKVSA-N 640.202 4.966 0 40 KJAB COc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1NC(=O)c1ccc(Cl)cc1Cl 408556990 FQRLMVDFLRZKIU-UHFFFAOYSA-N 539.437 4.793 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 408589984 GPDREYHIUULXTM-WJOKGBTCSA-N 553.728 4.818 0 40 KJAB COC(=O)c1cc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc(C(=O)OC)c1 408611131 RYAVIUHDRUERRH-UHFFFAOYSA-N 584.956 4.766 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)c2ccc(F)cc2)cc1OC 408626403 WZJDSMLVSGTSFY-UHFFFAOYSA-N 569.655 4.693 0 40 KJAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Oc4ccc(C)c(C)c4)cc3)C2)cc1 408652256 CBWDUJAECAUZJW-OAQYLSRUSA-N 515.566 4.589 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCC)c(=O)n2[C@H]1c1cccc(OC)c1 408928242 YGVPKFQHEVRJHI-QPWQWLJXSA-N 575.086 4.996 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OC(C)C)c(=O)n2[C@H]1c1ccccc1 408988000 QCMPTACPTGFIQC-LMKKRCETSA-N 554.668 4.731 0 40 KJAB COc1ccc(CNC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 409003495 HMNLLWVZOXLHFI-UHFFFAOYSA-N 507.439 4.818 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)c2cc(C)ccc2C)cc1 409025777 WJFUCXNHMDCKDM-UHFFFAOYSA-N 505.640 4.682 0 40 KJAB CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Br)c1OCC(F)(F)F 409040524 YQWKPXICTRJCMB-WLJFKGHSSA-N 625.463 4.901 0 40 KJAB CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1I 409107008 PQXYBESTXZUFCN-WLGHQHAYSA-N 757.432 4.720 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Sc5nccc(C)n5)o4)c(=O)n32)c(OC)c1 409273717 RPJRMLJTKXYTSH-DBLMTGOPSA-N 625.732 4.734 0 40 KJAB COC(=O)c1cnc(N2C[C@@H]3[C@H](CCCCN3C(=O)Cc3ccccc3OC)C2)nc1CCC1CCCCC1 2037873668 VDYXORLNLJWBTG-SHQCIBLASA-N 534.701 4.845 0 40 KJAB CCOc1ccc(-n2c(S[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)nc3sc4c(c3c2=O)CCC4)cc1 2628979 KGZKLAXQMCRTIK-MRXNPFEDSA-N 549.674 4.860 0 40 KJAB CCc1ccc2c(c1)cc(C)c1nnc(SCC(=O)Nc3ccc(S(=O)(=O)N(CC)CC)cc3)n12 6135386 CQYSYCPCQVSANE-UHFFFAOYSA-N 511.673 4.515 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)c(=O)n2[C@@H]1c1ccccc1OCC 8385863 LPBUBXCHCCHIIR-LMSRTUJASA-N 593.057 4.809 0 40 KJAB COc1cccc(Nc2sc(C(=O)c3ccc4c(c3)OCO4)c(N)c2S(=O)(=O)c2ccccc2)c1 8609684 SXJRZSZNQYSXLC-UHFFFAOYSA-N 508.577 4.875 0 40 KJAB O=C1C(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)[C@@H]2CC=CCC2)c2ccccc21 8694372 SZBISKWNWACSRH-GPNASLBKSA-N 610.686 4.584 0 40 KJAB CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NCC5CCC(C(=O)O)CC5)CC[C@]4(C)[C@@H]3CC[C@@]21C 9033176 ZYADXQOYYTYVCC-RUFZYYLZSA-N 542.717 4.649 0 40 KJAB biogenic CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c(NC(=O)COc3ccccc3)scc12 9381635 NFAQUDZFNKUCLZ-UHFFFAOYSA-N 517.485 4.660 0 40 KJAB COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)n2)c(OC)c1 9404179 ILXFEWHMNWPZGD-IAGOWNOFSA-N 515.657 4.746 0 40 KJAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CSCc3ccccc3)C(=O)NC(C)C)ccc12 9410135 AXGPQQQQJIECIF-DEOSSOPVSA-N 524.683 4.766 0 40 KJAB O=C(NCCSCc1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 10692473 PSMPTDFNCWZFBM-UHFFFAOYSA-N 501.501 4.585 0 40 KJAB Cc1cccc(CSCCNC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)c1 10693419 OWIKJMDFTXFGLF-UHFFFAOYSA-N 515.528 4.893 0 40 KJAB COc1cccc(N(C(=O)C(=O)Nc2ccc3c(c2)OCO3)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)c1 12484379 QEAFITJCACPGJY-HHHXNRCGSA-N 529.593 4.586 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(N2C(=O)/C(=C\Nc3cccc(C(C)=O)c3)c3ccccc3C2=O)c1 15979299 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CC(=O)Nc1ccc(OC[C@@H](O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 95117099 XZSKKZKPNZLTLO-NRFANRHFSA-N 509.411 4.587 0 40 KJAB CS(=O)(=O)c1ccc(CN2C[C@@H]3C[C@H]2C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccccc2O3)cc1 97971773 DZFAMAACZMNDMA-URXFXBBRSA-N 546.567 4.557 0 40 KJAB biogenic,in-vitro CCC(C)(C)NC(=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 100355653 PHPIJVSUQLBBGH-AREMUKBSSA-N 565.696 4.594 0 40 KJAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 101164155 MMARDNUAGBVHGL-FCEKVYKBSA-N 540.597 4.501 0 40 KJAB CCOc1ccc(NC(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)s2)cc1 103101829 CYEAJNCUTFMBJV-UHFFFAOYSA-N 539.429 4.506 0 40 KJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)[C@@H](OC(C)=O)C[C@H]1[C@@H]2C[C@H]2[C@H]3CN4C[C@H](C)CC[C@H]4[C@H](C)[C@H]3CC[C@]21O 103542852 HXCNNBUQYOTILV-IHHYUGPXSA-N 515.735 4.820 0 40 KJAB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc6c(cc5Br)OCO6)c(=O)n42)c2ccccc2CC3)cc1OC 104658375 UVEXDAIIKADWPD-ZCWBPALNSA-N 603.494 4.827 0 40 KJAB 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CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224039158 VFTJLQSDPUFYEC-HHHXNRCGSA-N 589.680 4.946 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)C)c2ccccc2F)cc1 224621927 BHDMDOWRQWIREP-NRFANRHFSA-N 560.091 4.925 0 40 KJAB CC[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1)c1ccc(OC)c(C)c1 224645547 OGPILLYOECNXJF-OFVILXPXSA-N 515.031 4.881 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224683726 LNFJALRMZOYJEH-JOCHJYFZSA-N 632.179 4.813 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 224684915 LUYRZLJSDLXSGI-XMMPIXPASA-N 551.709 4.533 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 224758299 XRCUWCQXJDARQK-DEOSSOPVSA-N 535.710 4.696 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2CN2CCCC2)c2ccc(C)cc2)cc1 224767692 YLLSSGALKIAGMW-UHFFFAOYSA-N 521.683 4.501 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 224940396 LSHFGTUOZKMOGI-IBGZPJMESA-N 542.529 4.792 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc(Cl)cc1 224948556 PNRPRUMCLBQHPT-NDEPHWFRSA-N 586.129 4.944 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)cc1Cl 225250681 RUQAAKPCINZPRD-IZZNHLLZSA-N 534.041 4.993 0 40 KJAB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)ccc1NS(C)(=O)=O 225441215 RJIHGODVASFBKK-DQEYMECFSA-N 525.700 4.946 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 225720084 XZOQFNPRRDKWKO-HSZRJFAPSA-N 630.605 4.984 0 40 KJAB O=C(Cn1ccc(=O)c2cc(Br)ccc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 225730152 DEHNKRXJCNMFTN-UHFFFAOYSA-N 516.439 4.698 0 40 KJAB O=C(c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl)N1CCCC1 225799973 UHKLXUHHUNUCOU-UHFFFAOYSA-N 528.055 4.802 0 40 KJAB CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(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 239309347 HJYYPODYNSCCOU-WJMLRTSXSA-N 697.778 4.754 0 40 KJAB CC(C)Oc1cccc(N[C@H]2CC[C@@H](C(=O)N(CC(=O)O)Cc3ccc(F)cc3Cl)CC[C@@H]2O)c1 257252926 JWSMJVQVZUZCEB-CQLNOVPUSA-N 507.002 4.711 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 260748778 CDAIRTCXBITRGS-HSZRJFAPSA-N 551.709 4.531 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 260752412 CYJDZRBVIIUBIL-JOCHJYFZSA-N 567.683 4.506 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)c2cc(C)ccc2C)cc1 260777118 YORIAHFMIKJDLV-RUZDIDTESA-N 535.710 4.749 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)c1 260863329 BSZNURNMICDUSB-JOCHJYFZSA-N 602.153 4.742 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c1 260910975 DITGOEKONLCNKA-GDLZYMKVSA-N 567.727 4.621 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c(OC)c1 261013371 TWAMEXZKBPEDAT-HHHXNRCGSA-N 660.631 4.787 0 40 KJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OCc4ccccc4)cc3)S(C)(=O)=O)cc2)c1 408549055 WDYIPECTPNXFHH-UHFFFAOYSA-N 579.700 4.780 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1NC(=O)c1ccc(Cl)cc1 408560401 OXDLCSVUEGDMLJ-UHFFFAOYSA-N 518.010 4.641 0 40 KJAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 408573970 GGJVBNZTVSLYSJ-UHFFFAOYSA-N 553.420 4.631 0 40 KJAB C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(Cl)c1)c1ccccc1 408590379 GYRQYPPWQWVXSK-OXHGWOFKSA-N 554.112 4.616 0 40 KJAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(Cl)c(Br)cc2C)CC1=O 408644525 GICFNOBSLRNZJQ-LBPRGKRZSA-N 530.202 4.608 0 40 KJAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)OCC(=O)Nc4cc(Cl)c(Br)cc4C)c3)C(=O)[C@H]21 408686429 NCQHGAAYBLWUCE-HAVHLTCRSA-N 557.828 4.908 0 40 KJAB C[C@H](NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)c1)c1ccccc1 408691013 XSNWAEHDUZOSIY-BHUCHSCJSA-N 522.601 4.650 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 408694087 ATVSNYLMCZLVOK-UHFFFAOYSA-N 582.531 4.975 0 40 KJAB Cc1c(N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408784551 UOIREEDAGWLADV-UHFFFAOYSA-N 580.710 4.909 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(Cl)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 408831488 OBJYXMOLXJPPNA-CVGPFBNFSA-N 529.083 4.572 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408927155 OQLLQFKDUXSPEY-OIUASMPBSA-N 632.710 4.932 0 40 KJAB CCOC(=O)c1ccc(COc2ccccc2/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc1 409037904 UPSNQMHDJHMCLQ-HSUOJCLFSA-N 582.678 4.554 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(SC)cc4)c(=O)n32)cc1 409083426 VIQMYTQLHYGANY-ASSGYOTOSA-N 527.671 4.604 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)O)C2=O)cc(Br)c1OCc1ccccc1Cl 409128276 DKRCDDVNOYRAGR-PXNMLYILSA-N 512.765 4.811 0 40 KJAB CCc1nccn1CCOc1ccc(CN2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)cc1OC 585272439 UGCBQYWDMBJDAK-PMERELPUSA-N 507.675 4.946 0 40 KJAB CCN1CCCCCCCCO[C@@H]2CN(C(=O)COc3cccc(OC)c3)C[C@H]2Oc2ccccc2C1=O 643582165 NKGPWVIYJJAZOM-VSGBNLITSA-N 524.658 4.565 0 40 KJAB O=C1CC[C@@H](C(=O)NCc2cccc3ccccc23)NC(=O)c2ccccc2OCCCCCCNC(=O)[C@H](Cc2ccc(O)cc2)N1 1615161547 VUXZBTISWHUCQU-LQJZCPKCSA-N 650.776 4.537 0 40 KJAB Cc1cc(Nc2ncc(C)s2)nc([C@H]2CCN(C(=O)C3(C)CCN(C(=O)OC(C)(C)C)CC3)C2)n1 2037835036 SQEROLYCPQUVKD-SFHVURJKSA-N 500.669 4.647 0 40 KJAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)C[C@H]2C[C@@H]1Oc1ccccn1 2332242675 HPBLLUUUBZGVFY-NPLHHVMXSA-N 516.667 4.674 0 40 KJAB CC[C@H](c1nnnn1C1CCCC1)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1325189 FRDOTJYZAYJQBE-XMMPIXPASA-N 518.593 4.694 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccc(C)cc2)cc1 1419170 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COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2cc(Cl)ccc2OC)cc1OC 22278493 DZGUQDLNJLHAQO-UHFFFAOYSA-N 519.019 4.817 0 40 KJAB Cn1c(=O)n(C)c2cc(Sc3ccccc3)c(NS(=O)(=O)c3ccc(Br)cc3)cc21 28049142 MPYFHKFRCOMUCI-UHFFFAOYSA-N 504.431 4.592 0 40 KJAB CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N(Cc1cccs1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 33937289 BGCADYZZJCUZRK-QPPBQGQZSA-N 506.676 4.916 0 40 KJAB COc1ccc(Cn2cnc3c4cc(C)ccc4n(CC(=O)NCc4ccccc4Cl)c3c2=O)cc1 35400004 RNEWMDASTZNJAC-UHFFFAOYSA-N 500.986 4.686 0 40 KJAB CC(=O)N1CCC(N[C@H]2CC(C)(C)[C@@H]3C[C@@](C)(O)CC[C@]23CCC(=O)NCCc2c[nH]c3ccccc23)CC1 67889643 AWOFGENHZLKFEO-KOUWNTBJSA-N 536.761 4.543 0 40 KJAB biogenic,in-vitro CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 97947849 ASGYBAIVTBTVBN-UHFFFAOYSA-N 543.736 4.912 0 40 KJAB O=C(Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 97961373 RQLAQFSNZHUDEF-UHFFFAOYSA-N 528.603 4.886 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(Cc3cc(F)c(F)c(F)c3F)C2=S)cc1 97995452 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DZHLJYMOQCOYLT-XRLCUDTISA-N 532.065 4.613 0 40 KJAB COc1ccc2c(c1)CCc1cc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC(C)C)sc1-2 103014578 PSIPUZPVHPHDQC-UHFFFAOYSA-N 542.679 4.583 0 40 KJAB O=C(COc1ccc(Br)cc1)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 103048961 MAAYSOLDOIKPMG-UHFFFAOYSA-N 580.888 4.757 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1ccccc1 103862430 FZTNFEAYAVLHMF-VXHROTETSA-N 539.657 4.519 0 40 KJAB O=C(NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1)c1cc(I)ccc1Cl 105353024 SXKUAKMCNMIQDB-UHFFFAOYSA-N 592.183 4.991 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(=O)(=O)c4ccc(Cl)cc4)c4ccccc4O3)cc2)c1 150428015 ZHMPTRYHZLBCJX-NDEPHWFRSA-N 644.127 4.753 0 40 KJAB Cc1ccc(CNC(=O)CSc2nc3cc4c(cc3c(=O)n2Cc2ccc(C(=O)NCc3ccc5c(c3)OCO5)cc2)OCO4)cc1 150444200 YYFMFRRVEPEVTQ-UHFFFAOYSA-N 650.713 4.549 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)N3CCN(Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 150653873 UQAVXBXWJWRLHR-SMCANUKXSA-N 674.864 4.741 0 40 KJAB biogenic Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)c2cc(Cl)cc(Cl)c2)cc1 164409786 KOVDANQSTKBIEP-UHFFFAOYSA-N 507.395 4.907 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(Br)c(I)o3)c(=O)n2[C@H]1c1cccc(OC)c1 164844717 AQFJVIZZLYTQKY-YSSBIZNGSA-N 691.341 4.904 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3C[C@@H](C(=O)NCCc4ccccc4)Oc4ccccc43)cc2)cc1Cl 222740055 JKLVJWOXJIFMOJ-PMERELPUSA-N 620.127 4.981 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](Cc2ccccc2)C(=O)NC)S(=O)(=O)c2ccc(F)cc2)cc1 222866312 MCLQKUVZSOGFJZ-YTTGMZPUSA-N 633.742 4.814 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 222922005 WXWLZCLLCRMQTB-LJAQVGFWSA-N 565.736 4.573 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222925353 LVWDEZCNIYJHNL-AWEZNQCLSA-N 566.910 4.884 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 222998982 VWJFJXKRTVKNBT-QFIPXVFZSA-N 616.578 4.823 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223088181 CNYFFRZCWKJORA-NRFANRHFSA-N 555.663 4.894 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 223288888 XRUSTORYTGVKNH-VWLOTQADSA-N 523.699 4.636 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 223305942 GBTCBQNKJBOXHE-SETSBSEESA-N 579.763 4.796 0 40 KJAB CC(C)c1ccccc1OCCNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 223779192 WEWABDXTRXZQNI-IBGZPJMESA-N 513.487 4.854 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 223971328 NHAXUWHDBLLSNN-LJQANCHMSA-N 554.540 4.870 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 224052508 TZDFZUSBPPETIV-DEOSSOPVSA-N 563.720 4.675 0 40 KJAB Cc1cccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1 224080519 RQKNNTDKOMJWFR-VWLOTQADSA-N 547.721 4.709 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224221862 OBRXXMATFFOCNJ-GDLZYMKVSA-N 623.747 4.967 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224362326 BERJYKATWUFDBD-VWLOTQADSA-N 592.158 4.524 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 224398594 MFZWDMDWOTYMGG-INIZCTEOSA-N 593.371 4.711 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 224520831 YVXDFGUYTJQRRC-HSZRJFAPSA-N 587.545 4.612 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224539069 SWOXXDKGJSZVJO-HHHXNRCGSA-N 539.673 4.601 0 40 KJAB Cc1ccccc1N(CCCC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 224758570 LWHDKGUBWYKPKG-NRFANRHFSA-N 578.573 4.780 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 224814887 PTBNFCVVHLEDLE-NRFANRHFSA-N 564.148 4.761 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 224856128 HEOHKUFPBUJGDX-QHCPKHFHSA-N 542.529 4.647 0 40 KJAB CN(C)S(=O)(=O)N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc(F)cc1 225002507 NIBUCFRCDZGLEY-LJAQVGFWSA-N 659.622 4.900 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 225057179 CMCPUHXEQOCFGR-HHHXNRCGSA-N 545.721 4.937 0 40 KJAB CCn1c(=O)sc2cc(NC(=O)CN(c3cc(C)ccc3OC)S(=O)(=O)c3ccc(C)cc3)ccc21 225082044 ZAAZVWQHXIJOJI-UHFFFAOYSA-N 525.652 4.542 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 225106766 HLBCJJVFWMVWFV-MHZLTWQESA-N 565.736 4.923 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 225112773 DFRDHJKAPCJCCT-JWQCQUIFSA-N 565.736 4.672 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 225387365 OSZUCOOEBPXKJV-HXUWFJFHSA-N 562.519 4.969 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC)S(=O)(=O)c2ccc(Br)cc2)cc1 225393200 QBONWUXMDAEGTD-IBGZPJMESA-N 622.969 4.860 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 225394729 CJVBOUSHWUYDLN-FQEVSTJZSA-N 562.519 4.969 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 225538419 OZGFKBSZLRDBTR-WIYYLYMNSA-N 542.529 4.790 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 225725540 OTGUQFZHUFMSPQ-NDEPHWFRSA-N 553.700 4.970 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 225753680 HLVURDKEXHCREW-RBISFHTESA-N 569.699 4.752 0 40 KJAB C[C@@H]1CCCN(c2cc(N3CCOCC3)nc(NC(=S)NCC3(c4ccccc4)CCCCC3)n2)C1 225982725 QUQNOKNHGXBQIN-JOCHJYFZSA-N 508.736 4.738 0 40 KJAB Cc1ccc(CN(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 226064347 HNGNEVZBXWLQJF-UHFFFAOYSA-N 537.041 4.537 0 40 KJAB CC(C)CS(=O)(=O)N1CC(C)(C)CC2(CCN(CC(=O)Nc3ncc(Cc4ccc(F)cc4)s3)CC2)C1 257303779 SIRNYTDSIXKFPP-UHFFFAOYSA-N 550.766 4.611 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 260759674 FOKAKAFJUKIVNC-QGZVFWFLSA-N 542.529 4.654 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 261114971 YJDMOWDZEAJPAO-MOPGFXCFSA-N 542.529 4.872 0 40 KJAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)cc1 408618456 JMWCQOFTVYURKK-UHFFFAOYSA-N 533.572 4.502 0 40 KJAB COc1ccc(C(=O)[C@@H](C)OC(=O)CCN2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408645744 AOIJVOKPTHPSJW-VAAUPXDOSA-N 578.448 4.793 0 40 KJAB CCc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)c1 408684030 JETIVOIYQAIFTE-PHJCCQPQSA-N 522.601 4.974 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OCC 408739554 XPZKHBJHSOGHKT-DDBFQISPSA-N 584.694 4.785 0 40 KJAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(C)c(Br)c4)c(=O)n32)c1 408770198 UPPIYUJIHPWLHV-LMSRTUJASA-N 574.500 4.953 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(C)=O)c(Br)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408786815 OAUDAAXPHGYUJY-QFDNUGPTSA-N 621.484 4.763 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)n(C)c4ccccc34)c(=O)n2[C@H]1c1ccccc1 408815104 RNOWTFSHRUSPSL-AYTQJLEDSA-N 533.653 4.736 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408833087 ZFDZXRSBVVPLIK-YNMQQHPQSA-N 600.718 4.797 0 40 KJAB CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc(I)c1O 408920672 KGGFLTVOIWGTRQ-QCHPHUCNSA-N 650.560 4.618 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 409009190 YWAPMFYRSDELGS-YZSQISJMSA-N 713.550 4.962 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C(C)C)c(OC)cc3C)c(=O)n2[C@H]1c1ccc(SC)cc1 409021888 DHBRAVFFCPQTNN-GVMLUORFSA-N 536.719 4.961 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(C)C)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 409023609 IKWYYVSSRMFHNN-XXMKCSCWSA-N 522.692 4.555 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3Cl)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409079333 FLBRPZPCDJEPEL-LAINMTBBSA-N 582.303 4.876 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409097348 GKQUOOVIOKDEAL-DBLMTGOPSA-N 606.144 4.936 0 40 KJAB CCc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)S(=O)(=O)c2ccccc2)cc1 409113322 AIBBVJLACLKIET-UHFFFAOYSA-N 517.607 4.606 0 40 KJAB CCCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 409142132 RCOJGXRMCWRRBK-PXLXIMEGSA-N 560.470 4.750 0 40 KJAB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCC(=O)OC)cc3Br)C2=O)ccc1Cl 409150209 ALOZEOLYSSHBPL-ZVBGSRNCSA-N 655.907 4.905 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1 409173124 KHHKBQLSXLHUGC-UHFFFAOYSA-N 643.715 4.876 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 409220687 DIHMBNRJXPBZFB-FSJBWODESA-N 536.537 4.787 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OC(C)C 409339219 FUDZBQVGNZDEIX-ODLFYWEKSA-N 552.390 4.762 0 40 KJAB CCc1ccc(CCc2nc(N3C[C@@H]4CCCCN(C(=O)Cc5ccccc5OC)[C@H]4C3)ncc2C(=O)O)cc1 585266107 JQRRTGITSFMNRR-LSYYVWMOSA-N 542.680 4.591 0 40 KJAB Cc1cnc(NC(=O)CN2CCC[C@@H]2c2csc(NC(=O)c3ccc(Br)cc3)n2)s1 585272754 QRSMUBDQHCGSJB-MRXNPFEDSA-N 506.451 4.698 0 40 KJAB COc1cc(CN2CCOC[C@@](COc3cccc(Cl)c3)(OC)C2)ccc1OCCCN1CCCCCC1=O 585280658 QSDJOVPLILIHSA-PMERELPUSA-N 561.119 4.817 0 40 KJAB COc1cccc(C(=O)N2CCC3(CCCCOC[C@@H]4CCCN4C(=O)c4ccccc4OC3)CC2)c1 643564693 ARPPJUUPYHCNFR-DEOSSOPVSA-N 506.643 4.802 0 40 KJAB Cc1nc(N2CCC(C)CC2)ncc1C(=O)N1CCN(C(C)C)CCCN(C(=O)c2ccncc2)c2ccc(F)cc2C1 643566189 ADVASBMIAYUZEU-UHFFFAOYSA-N 587.744 4.959 0 40 KJAB COc1cccc(C(=O)Nc2cccc(OC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)c2)c1 837365 ZJKFAEITWDIZGW-UHFFFAOYSA-N 529.014 4.995 0 40 KJAB COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2cccc(C(C)=O)c2)cc1O 906209 DHHJANOTXZCLLU-SSEXGKCCSA-N 555.635 4.572 0 40 KJAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(C(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)OCCO2 930981 SXZWZSCSSNQYSY-AHKZPQOWSA-N 534.634 4.883 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@@H]1c1ccccc1 1794813 AWVBOTHUWOOQID-DLBLZJNESA-N 504.995 4.712 0 40 KJAB COc1ccc(/C=c2/s/c(=C\C(=O)C(C)(C)C)n(Cc3cc(=O)oc4cc(C)c(C(C)C)cc34)c2=O)cc1 3327304 HEJUETBTEPQRIY-NHMXSNTPSA-N 531.674 4.729 0 40 KJAB CCc1cccc(CC)c1NC(=O)CSc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC 6095192 WVYWFXZMKCENHE-UHFFFAOYSA-N 502.706 4.942 0 40 KJAB O=S(=O)(c1ccc(Br)cc1)c1nnn2c1nc(NCCc1ccccc1)c1sccc12 8589495 JRILGVQCEUUWKT-UHFFFAOYSA-N 514.430 4.589 0 40 KJAB COc1ccccc1-n1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1SCC(=O)Nc1ccccc1 9390954 AFXBQBQGBOYQNL-UHFFFAOYSA-N 531.682 4.839 0 40 KJAB CCc1ccc(NC(=O)[C@H](C)Sc2nnc3n(Cc4ccccc4OC)c(=O)c4ccccc4n23)cc1 12562503 WZKCQGOMUJKBDN-SFHVURJKSA-N 513.623 4.783 0 40 KJAB CCOC(=O)c1c(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)sc(C)c1-c1ccc(C)cc1 13113078 UVJMJNCEZIMNMM-UHFFFAOYSA-N 505.640 4.605 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCN(c4cc(C)ccc4C)CC3)cc2c1 19941430 JUKOJCPEVFYDAJ-PMERELPUSA-N 533.680 4.654 0 40 KJAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 20016741 VZEHLMOBKVOGSG-GFCCVEGCSA-N 509.319 4.646 0 40 KJAB Cc1ccc(C(=O)N2CCN([C@H]3c4cccc5cccc(c45)[C@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 20029395 OXKSCZRCMSYMHX-WDYNHAJCSA-N 511.647 4.681 0 40 KJAB aggregator Cc1cccc(N2CCN(C(=O)c3cccc(C(=O)N4CCN(c5cccc(C)c5C)CC4)c3)CC2)c1C 20417730 YDJLGJACMWNLJK-UHFFFAOYSA-N 510.682 4.845 0 40 KJAB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl 35263702 AFRXPQGTVCJGCU-DHZHZOJOSA-N 506.927 4.575 0 40 KJAB COc1ccc(-c2noc(-c3c(SC)nn(CC(=O)Nc4ccc(C)c(Cl)c4)c3N)n2)cc1OC 46914840 YPBIIMWJHWYSRO-UHFFFAOYSA-N 514.995 4.522 0 40 KJAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1cccc(Cl)c1 59444579 YSYZNEBBRUMYOC-UHFFFAOYSA-N 507.837 4.975 0 40 KJAB CCOC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC)c(CN3CCN(c4ccccc4OC)CC3)c2)N1 59677265 BUPGXESRUZFQJH-DHIFEGFHSA-N 554.691 4.674 0 40 KJAB biogenic,in-vitro O=C(O[C@@H]1[C@H](CO)O[C@H](n2cnc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)ncnc32)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 79183257 GNYQOUZNLMTKQG-KGQFRXFDSA-N 683.677 4.654 0 40 KJAB Cc1ccccc1Nc1nc(N)nc(CN(Cc2ccc(F)cc2)Cc2nc(N)nc(Nc3ccccc3C)n2)n1 96021818 LPIFTPVOFVCNAV-UHFFFAOYSA-N 551.634 4.667 0 40 KJAB COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)COC(=O)/C=C/c2cnc3ccccc3n2)cc1OC 97980104 ASGYGJXOAXYMET-JBOJMBJVSA-N 528.590 4.643 0 40 KJAB Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(=O)NC3CCCCC3)c2N)C2CCCC2)cc1 100295150 SSCBHROOAILHNE-JYFHCDHNSA-N 567.756 4.518 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(C(=O)CNC(=O)c1cccs1)c1ccc(C(C)=O)cc1 100413889 VHENTMZHUUBQNL-AREMUKBSSA-N 535.666 4.768 0 40 KJAB CC1(C)Cc2c(sc3c2c2nc(-c4cccnc4)nn2c(=O)n3CC(=O)c2ccc(Br)cc2)CO1 100929433 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CCCC[C@@H](CC)CNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223720955 BKSZEPOYRANPKO-GOSISDBHSA-N 527.083 4.894 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1 223723317 XAALGGJJUHFDFP-VWLOTQADSA-N 547.721 4.975 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223838305 ASKSJPTWTDITPJ-LJQANCHMSA-N 542.529 4.792 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224002317 FUWAGQGSUPRJIH-WJOKGBTCSA-N 645.753 4.959 0 40 KJAB Cc1cccc(CN(C(=O)CCCN2C(=O)c3ccccc3C2=O)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224249775 PFLPICVSZQKVLV-NDEPHWFRSA-N 539.676 4.926 0 40 KJAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 224293556 SGWYYTCSYSSNLU-UHFFFAOYSA-N 633.792 4.984 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 224479689 MBHWZTSUHRHCAF-HHHXNRCGSA-N 605.588 4.773 0 40 KJAB 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CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 225321850 MBLLITDYRZBYLX-MUUNZHRXSA-N 573.756 4.506 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 225527388 MRHFQCLTDYEZSV-NRFANRHFSA-N 560.091 4.925 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 225537151 UJJNVLQEGBRHSL-WJOKGBTCSA-N 675.804 4.611 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 225553355 RUBUVSRUQLHWRZ-HHHXNRCGSA-N 630.605 4.780 0 40 KJAB COC(=O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2OC)c1 225678300 SAKIMGBNMIKHBG-VSGBNLITSA-N 555.660 4.669 0 40 KJAB O=C1[C@@H]2[C@H](C(=O)N1Cc1ccccc1)[C@@H]1C=C[C@@H]2[C@H]2C1=C(c1ccccc1)C[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 229920294 MCHRPHYSAYLRFZ-RXGLJNGSSA-N 554.646 4.879 0 40 KJAB COc1cccc([C@@H]2NC(=O)N(Cc3ccccc3)[C@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)c1OC 245237355 KPJUWBVQVFMEQP-JXALWOEJSA-N 520.529 4.782 0 40 KJAB COc1ccc(-c2nn(-c3ccccc3)cc2C=c2sc3nc(-c4ccccc4C)nn3c2=O)cc1F 254737219 XYOROBVEGJTSTD-UHFFFAOYSA-N 509.566 4.675 0 40 KJAB CCOc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@H](CC)C(=O)NC)S(=O)(=O)c1ccc(Cl)cc1 260858351 ODDGFTXYVYGSGA-RUZDIDTESA-N 572.127 4.530 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1 260860268 HXJSYINTOMLHDQ-MUUNZHRXSA-N 570.155 4.888 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 260956941 KQLLDGRECCJFIF-OAQYLSRUSA-N 572.127 4.876 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 260959603 GWPWOLLAHWYSNA-OAQYLSRUSA-N 534.122 4.589 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 260972783 JHROWJKTGDIUQN-HHHXNRCGSA-N 570.155 4.969 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 260999142 RIRBSWMUBOATFO-DQEYMECFSA-N 595.762 4.582 0 40 KJAB 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409124757 BQRXTYJJIAMTGT-UZXDDYOISA-N 502.640 4.703 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N1CCN(c2cc(Cl)ccc2C)CC1)S(=O)(=O)c1ccc(C)cc1 409135296 UGIYWLKDUBREET-UHFFFAOYSA-N 542.101 4.818 0 40 KJAB CCn1c(CNC(=O)COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 409152904 KJOGWRHZMMTWCQ-UHFFFAOYSA-N 550.710 4.971 0 40 KJAB CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccccc3C(C)C)n2CC)cc1 409164720 MSWOLRFYKHBFPS-LJQANCHMSA-N 509.676 4.798 0 40 KJAB O=C(CN1C(=O)c2ccc(Br)cc2C1=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 409178679 HKVJWORAYSOQEW-QFIPXVFZSA-N 512.743 4.866 0 40 KJAB COc1ccccc1NC(=O)CSc1nnc([C@H](CC(C)C)NC(=O)c2ccccc2Cl)n1C 409364089 VENZFVFKGOOSKK-IBGZPJMESA-N 502.040 4.725 0 40 KJAB CC(=O)[C@@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N12 504699611 AUYJNRMFCZKGOK-WIXZECKYSA-N 506.558 4.676 0 40 KJAB biogenic O=C(CCCn1cccn1)N1CCC2(CCCCc3ccccc3OCCN(Cc3ccncc3)C2)CC1 643568452 CISNDCXDWZUGSQ-UHFFFAOYSA-N 515.702 4.975 0 40 KJAB O=C(Oc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1 704956 UWCGODNRATWJLM-UHFFFAOYSA-N 569.433 4.644 0 40 KJAB Cc1cc(C)c2cc(CN(Cc3cccnc3)S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[nH]c2c1 891779 NJECBXZEWJFXGC-UHFFFAOYSA-N 501.530 4.950 0 40 KJAB CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O 1374576 KOCYQFITVRGDDU-NDEPHWFRSA-N 508.626 4.919 0 40 KJAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nc(O)c3cnn(-c4ccc(F)cc4)c3n2)sc2c1CCC2 2718011 VJZGSACCXOVONU-GFCCVEGCSA-N 527.603 4.506 0 40 KJAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)c1 5946839 VGYGKZVNEWSUPR-UHFFFAOYSA-N 516.667 4.873 0 40 KJAB COc1ccc(NC(=O)C(C)(C)N(Cc2ccccc2F)C(=O)CN2C[C@@H](c3ccccc3)NC2=S)c(OC)c1 8713790 HPSBZMBYKCPNFU-VWLOTQADSA-N 564.683 4.520 0 40 KJAB CCOc1cc(C(=O)Nc2ccc(N3CCN(C(=O)CC)CC3)c(Cl)c2)cc(OCC)c1OCC 8901654 XMLKOOAEXMMOLQ-UHFFFAOYSA-N 504.027 4.847 0 40 KJAB COc1ccccc1N1CCN(C(=O)C[C@H](C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 9720543 SQMMNEROWMKLKO-HSZRJFAPSA-N 501.627 4.978 0 40 KJAB C[C@H](Nc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2ccccc12)c1ccccc1 9971881 GOJMAGAYRNPWFR-IBGZPJMESA-N 508.047 4.967 0 40 KJAB CCOC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2OC)cc1 11726293 HJADNKKPSSUCGX-XMMPIXPASA-N 505.567 4.708 0 40 KJAB NC(=O)c1ccccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 12538296 ZQCPIZYXLXSFNQ-UHFFFAOYSA-N 502.987 4.899 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(CCc1ccccc1C)C(=O)Cn1nnc2ccccc21 13024173 MHXSTVVSYYRFGQ-MUUNZHRXSA-N 515.633 4.996 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)c(OC)c1 13024895 QSMRBHNUDXMPJH-MHZLTWQESA-N 515.614 4.528 0 40 KJAB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCCSCc1ccccc1 13894901 OEFVSKPQIYNSEX-UHFFFAOYSA-N 508.587 4.950 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)c2ccc(F)cc2)cc1 14153404 UAVPMLHGGDSXCZ-LJQANCHMSA-N 527.618 4.587 0 40 KJAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)c(Cl)c3)cc2Cl)CC1 14276784 NYCGZLAMQWAKSX-UHFFFAOYSA-N 509.459 4.578 0 40 KJAB CC(C)(C)c1ccc(-c2cc(C[C@H]3CNCC[C@H]3CC(=O)N3CCN(c4ccccn4)CC3)no2)cc1 15673763 BUZKVPMRPGIDPJ-ZEQRLZLVSA-N 501.675 4.541 0 40 KJAB biogenic,in-vitro COC(=O)c1cc2cc(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)ccc2s1 20010356 PXSHEQFORKFWLR-UHFFFAOYSA-N 508.621 4.826 0 40 KJAB COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3)ccc2s1 20020237 AFNPBTZKIKAXEP-UHFFFAOYSA-N 510.593 4.815 0 40 KJAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1 20049240 DKOQKTJYVMYNDW-SHQCIBLASA-N 508.640 4.696 0 40 KJAB COc1ccc(C2=C/C(=C3/N=C(c4cccs4)OC3=O)c3ccccc3O2)cc1CN1CCOCC1 20572740 RMOVSTJRKYTEOP-QLYXXIJNSA-N 500.576 4.737 0 40 KJAB Cc1ccc(CN(c2ccc(OCC(=O)N3CCC(Cc4ccccc4)CC3)cc2)S(C)(=O)=O)cc1 22231781 QEDRWRALZVPVAO-UHFFFAOYSA-N 506.668 4.821 0 40 KJAB CCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCC(C)CC2)c1 26119290 KOCSGDIFCUXGGC-UHFFFAOYSA-N 503.690 4.563 0 40 KJAB COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3cc4ccc(OC)cc4nc3Cl)C2)c(OC)c1 95532182 ZFVRUMDDKDHTMX-JOCHJYFZSA-N 511.962 4.847 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4Br)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 100068165 GOQIYTVQKVSCTG-LNXFQTKESA-N 607.482 4.858 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)cc1OC 100276857 KFEQUTZORYNYDD-MUUNZHRXSA-N 592.697 4.777 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC 100618592 SHZIFIQKGLAGRA-RISWYLRJSA-N 609.498 4.838 0 40 KJAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 101164154 MMARDNUAGBVHGL-PKTNWEFCSA-N 540.597 4.501 0 40 KJAB Cc1cc(Br)c(Cl)cc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 102087417 KZNZKOFUVOPGET-UCEGJLSESA-N 513.819 4.768 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)C)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 108169812 ZBTJPMODYCULKF-MIUGUJGPSA-N 594.730 4.780 0 40 KJAB Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1C 113621547 CHVASGZVJLRZMT-UHFFFAOYSA-N 550.102 4.943 0 40 KJAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 140369820 LYVQTXRCKROUPY-UHFFFAOYSA-N 540.450 4.722 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)CC3)cc2)c1 150427687 DFMDNQJDRNMGQS-UHFFFAOYSA-N 642.583 4.992 0 40 KJAB COc1ccc(CCNC(=O)c2ccc(Cn3c(SCC(=O)NC4CCCCC4)nc4cc5c(cc4c3=O)OCO5)cc2)cc1OC 150444651 LADCKYMRCVONAJ-UHFFFAOYSA-N 658.777 4.704 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 222474984 PZDZWANMVOPCBO-SANMLTNESA-N 606.572 4.934 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 222502319 ZDHORWXKGPGOAE-LJQANCHMSA-N 578.518 4.669 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)c(C)c1 222576862 FMPXRRPEHUUGPZ-DEOSSOPVSA-N 513.407 4.662 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 222620713 AAEURJMNKCYGLY-MUUNZHRXSA-N 603.160 4.504 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 222642780 WHPBFKFYBIGUID-HHHXNRCGSA-N 556.128 4.518 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 222964422 JGQXRKMXVCYIBL-PDAMRLRISA-N 569.743 4.613 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223088113 CNYFFRZCWKJORA-OAQYLSRUSA-N 555.663 4.894 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1nnc(SCC)s1)S(=O)(=O)c1ccc(Cl)cc1 223093764 GFKNBZZXVYGAPU-UHFFFAOYSA-N 513.066 4.536 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 223096432 IANXVWHUBZEQMC-YTTGMZPUSA-N 629.779 4.984 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 223110666 HNHPNTQILJIJFA-DHIUTWEWSA-N 569.699 4.670 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 223156551 GGYOPSCLDBCAJV-AREMUKBSSA-N 565.736 4.921 0 40 KJAB COc1ccc(CN(C(=O)COc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1 223244061 DCGRDOPYBHJKTL-AHKZPQOWSA-N 537.056 4.663 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 223310282 GPQPAGRMZZPHCD-OAHLLOKOSA-N 566.910 4.886 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223363882 ZVPBDEFXUWYNMG-PDDLMNHVSA-N 621.800 4.867 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 223414899 PANDGJDQTXBTFG-PMERELPUSA-N 591.680 4.936 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c2ccc(F)cc2)cc1OC 223422176 FKWSUIUXBDPGLK-FQEVSTJZSA-N 514.619 4.841 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 223540578 SZBLBGFHKJIWFC-MHZLTWQESA-N 630.605 4.780 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 223557886 MUADFWYOZMLVHI-VWLOTQADSA-N 535.710 4.669 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 223755841 ISIWPGSDQFYSEP-YTTGMZPUSA-N 645.778 4.684 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)c2ccccc2)cc1 223803952 LAEGTDRCGHQTCR-DEOSSOPVSA-N 563.720 4.675 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 224264762 QBCGRDQTCJSNRM-VWLOTQADSA-N 578.573 4.698 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 224313532 WBBOJWJJWLIKNY-HKBQPEDESA-N 645.753 4.959 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 224422157 DDBYRLGGWHFFCD-XMMPIXPASA-N 554.540 4.934 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 224550204 SPBTVYLDVZFNHL-HKBQPEDESA-N 607.773 4.906 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 224599284 WSYULIILEJXXGW-HHHXNRCGSA-N 557.757 4.724 0 40 KJAB CN(C)S(=O)(=O)N(Cc1ccc(C(=O)NCc2cccc(CN3CCCCC3)c2)cc1)c1ccccc1F 224673074 NLHADDYSRZLONQ-UHFFFAOYSA-N 538.689 4.555 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 224734443 BJHHTYUXCVLGJR-DEOSSOPVSA-N 536.138 4.774 0 40 KJAB CCOc1ccccc1N(CC(=O)NCc1ccccc1CN1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 224770591 CXIODMSTJKFFLF-UHFFFAOYSA-N 542.101 4.846 0 40 KJAB Cc1ccc(OCCNC(=O)c2ccc(CN(c3cccc(OC(C)C)c3)S(C)(=O)=O)cc2)cc1C 224912063 HHSXBFYMICKWAY-UHFFFAOYSA-N 510.656 4.866 0 40 KJAB COc1cccc(CN(C(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)c1 224951222 YCQPAATUOJEGFA-DEOSSOPVSA-N 557.757 4.724 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1 225017540 FDVMYXMCMWWRRX-NDEPHWFRSA-N 614.606 4.997 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 225024817 ZPXDBWYLTXHRFW-SANMLTNESA-N 531.694 4.628 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 225167560 MLWLYLKVIVKSCU-MHZLTWQESA-N 565.736 4.923 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 225225197 JDRHOEMWTZCATA-DNQXCXABSA-N 613.752 4.987 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 225266796 JOWDPOSIJVMENC-NDEPHWFRSA-N 569.699 4.753 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 225291798 AOQPIFPLNKFLAR-VWLOTQADSA-N 583.582 4.863 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 225499084 JLKRSWSKMNFTOD-RPLLCQBOSA-N 565.736 4.921 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225543109 JRBKTMQLLJYNBO-PXDATVDWSA-N 566.164 4.925 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1 225703254 VKIYIQSKXSRNMN-NRFANRHFSA-N 634.568 4.982 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1Cl 226067564 QGKOBDKEMKFDKN-UHFFFAOYSA-N 612.557 4.793 0 40 KJAB CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@@]12C(=O)Nc1ccccc12 229868156 IQUHXFHRBYUFTH-JNPKELFRSA-N 528.008 4.753 0 40 KJAB Cc1cc(OCC2(CC(=O)N3CCN(C)CC3)CCN(C(=O)CCC3CCCC3)CC2)ccc1Cl 257251489 JQZAQDFHYYZTCM-UHFFFAOYSA-N 504.115 4.771 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1 260738326 AGZXAGDDCQQSJV-GOSISDBHSA-N 540.513 4.544 0 40 KJAB COc1ccc(CN(C(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1 260824337 XVPQBFVPOSUBHP-OAQYLSRUSA-N 549.693 4.613 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 260825539 ZKZCPYHZZRUYHJ-RUZDIDTESA-N 577.747 4.983 0 40 KJAB C[C@@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1)c1ccc2c(c1)OCCO2 260836476 PXNSDGDARKEWOB-XHCCPWGMSA-N 536.650 4.589 0 40 KJAB COc1cccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 260871857 KPIMDMJVROELON-WJOKGBTCSA-N 587.742 4.634 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 260952377 KBXNVXDWGAJVCE-NLFFAJNJSA-N 552.137 4.617 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 260979858 NWUSUCLTGWTDQC-RTWAWAEBSA-N 552.137 4.535 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 260992800 OBZOKICNOFWVLB-SSEXGKCCSA-N 591.774 4.777 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c2ccccc2OC)cc1 261047072 ZLWJYSPOWPQXIO-OAQYLSRUSA-N 602.153 4.885 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 261094555 UTBOFFCEDPBCBT-SVEHJYQDSA-N 549.737 4.624 0 40 KJAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 408612484 VLSWMDUWDZWICI-UHFFFAOYSA-N 547.029 4.595 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2 408621895 PXCPGVBDDYHEPS-UHFFFAOYSA-N 512.653 4.864 0 40 KJAB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408639638 GDIUQESQDHUECX-HKUYNNGSSA-N 515.791 4.684 0 40 KJAB COc1ccc(OC)c(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408648095 CECXTUSMPQGSIP-ZOOKARTLSA-N 551.426 4.624 0 40 KJAB Cc1cccc(NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408666472 UXAINVGVZMHWNH-QULSYZCUSA-N 505.401 4.917 0 40 KJAB COC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)sc2c1CCCC2 408714665 UNLOMDJDTRSBRT-UHFFFAOYSA-N 545.510 4.901 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408760448 YUNUMOALCLFZOG-GDZDTEGPSA-N 599.709 4.536 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OC(C)=O)c(=O)n2[C@H]1c1ccccc1Cl 408823131 DTNLHTXCUNYRCD-LYFUXTGPSA-N 654.764 4.902 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1cccc(OC)c1 408995533 JWYIBEDNYRWEGC-FBRKSOCZSA-N 633.520 4.632 0 40 KJAB COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C3/C(=O)N(Cc4ccccc4)c4ccccc43)c(=O)n21 409115346 IUIMQQSFMBALFB-DFXXOVSGSA-N 614.123 4.766 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(C[C@H]4CCCO4)c3C)c(=O)n2[C@H]1c1cccs1 409205275 PDNQLAQRSISPKA-YHGLBEBGSA-N 573.740 4.594 0 40 KJAB CC(C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1Br 409275107 YLNUGDKKPRHSHE-MTJSOVHGSA-N 515.429 4.858 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1OS(=O)(=O)c1ccccc1 409277126 ZJNYIMUULOJVCT-IWIPYMOSSA-N 552.630 4.755 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)Cc1ccccc1 409387767 FLPBICHWJBJUNT-UHFFFAOYSA-N 503.418 4.596 0 40 KJAB COc1ccc(N2C(=O)NC(=O)/C(=C(\C)NCCc3c(C)[nH]c4ccc(OCc5ccccc5)cc34)C2=O)cc1 575443885 RMQVDEBDXPAITK-RRAHZORUSA-N 538.604 4.753 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3cccc(OCCN(C)C)c3)c(=O)cc1[C@@H](NC(C)=O)CC2 604403931 FBVWCKLRMMTDNI-NDEPHWFRSA-N 632.758 4.634 0 40 KJAB biogenic CC(=O)N1CCCCCCCN(Cc2cccnc2)Cc2cc(C(=O)N[C@@H](CC(C)C)C(=O)O)ccc21 643572969 SAGZKTCTDLNADP-SANMLTNESA-N 508.663 4.630 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(C(=S)NCCc3ccc(OC)c(OC)c3)C3CCCC3)cc2c1 879532 XFYMFLBWNRAVHC-UHFFFAOYSA-N 509.672 4.806 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)[C@H]2COc3ccccc3O2)cc1OC 930857 VXLYBHOQAAPAEN-IZLXSDGUSA-N 534.609 4.656 0 40 KJAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1 936102 ALQJBLNVQRHCDY-UHFFFAOYSA-N 500.986 4.970 0 40 KJAB CCOC(=O)c1c(NC(=O)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)sc2c1CC[C@H](C)C2 2087813 SGOHYFVMHGQJMR-KBPBESRZSA-N 532.684 4.990 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(Br)cc1 2185160 KZLRKSVNZPYGRB-IISPMBILSA-N 568.276 4.573 0 40 KJAB CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccco3)C(=O)N12)C(=O)Nc1cccc(C)c1 2967634 FSQBVDPPGMLABF-RPWUZVMVSA-N 543.649 4.794 0 40 KJAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C 3242815 UEQFKRIDIGJNJB-OAQYLSRUSA-N 521.577 4.521 0 40 KJAB CCOc1ccc(NC(=O)CSc2nsc(SCC(=O)Nc3ccc(OCC)cc3)n2)cc1 4017359 VHVWFPAMTGKZLT-UHFFFAOYSA-N 504.659 4.797 0 40 KJAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1O)C1(Br)c3ccccc3C2(Br)c2ccccc21 4157130 SAEHAMYQBWUZGD-CSKPTYFESA-N 525.196 4.802 0 40 KJAB C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(NC(=O)c3ccc(F)cc3)nc1[C@H]2CC(=O)NC1CCCCC1 6137745 JTKNHSREXMDSGT-RUMONJKUSA-N 543.705 4.789 0 40 KJAB biogenic,in-vitro COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 6144530 DGSJMXITTDQZLQ-AWEZNQCLSA-N 523.394 4.987 0 40 KJAB COc1ccc([C@@H](C(=O)NCc2ccc(F)cc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3nc(C)ccc3c2)cc1 6442067 JUSPMEAGWPBEKB-MHZLTWQESA-N 598.660 4.533 0 40 KJAB O=C(CC[C@H]1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O)N1CCN(c2ccccc2)CC1 8595023 ZXJXOZVXUNFEKP-AREMUKBSSA-N 541.652 4.847 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)c(C)c1 9246607 LPICNQASKCFUEH-UHFFFAOYSA-N 506.365 4.961 0 40 KJAB COc1ccc(OC)c(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccc(C)cc2)c1 12712628 SULAWHWYRXLRSE-GDLZYMKVSA-N 529.641 4.694 0 40 KJAB O=C(CCCC(=O)N(C[C@H]1CCCO1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1)Nc1ccccn1 13027368 DTWCJLSJPOYJMZ-UFHPHHKVSA-N 524.637 4.527 0 40 KJAB COC(=O)c1ccc(NC(=O)CN2C(=O)C[C@@H](c3ccc(OC)c(OC)c3)Sc3ccccc32)cc1 16959741 XWQZSPZOWOAITL-DEOSSOPVSA-N 506.580 4.699 0 40 KJAB O=C(O)C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1CCN1CCN(c2ccc(F)cc2)CC1 20463309 YAWZPZOYXOCGFZ-SFTDATJTSA-N 521.555 4.610 0 40 KJAB biogenic,in-vitro COc1ccc(CNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 22431293 ZVJPIIJPQUCYTJ-UHFFFAOYSA-N 522.545 4.543 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 33937093 XPVMHRXQXGGDEF-VPUSJEBWSA-N 516.646 4.554 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1ccc(Br)cc1 59882634 ZBZSPSNTKDVNHN-UHFFFAOYSA-N 588.505 4.808 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 97946285 GUFUEILSEQVWSJ-HNVAQCFTSA-N 664.740 4.594 0 40 KJAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 97952598 IXRHMLKURWCHPQ-INIZCTEOSA-N 548.562 4.530 0 40 KJAB COc1ccc(CNc2nc(NCc3ccc(OC)c(OC)c3)n(C(=O)c3ccccc3Cl)n2)cc1OC 97995299 USNMUDSAXSOHRI-UHFFFAOYSA-N 538.004 4.879 0 40 KJAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1Br 104072167 DQXLVHWFZWGCJO-QEGGNFSNSA-N 573.399 4.585 0 40 KJAB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(O)c(Br)c5)c(=O)n42)c2ccccc2CC3)cc1OC 104658569 IOISAQHOFPXWRW-ORVZPOCUSA-N 575.484 4.804 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 111470820 CSJBUCXGLLFILJ-YMSBRDKKSA-N 522.985 4.851 0 40 KJAB Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)S(=O)(=O)N(C)C)c1 113491482 LAVQQDZUJVZIEN-UHFFFAOYSA-N 585.535 4.663 0 40 KJAB CNC(=O)OCC[C@H](OC(=O)NC)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)NC)CC[C@]4(C)[C@H]3CC[C@]12C 118934426 UBROFEQUANJUOA-VSCXMJOKSA-N 519.683 4.761 0 40 KJAB COc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)O)cc2ccccc12 150340776 KOHRTTCWUYWOAB-ZDCRTTOTSA-N 680.802 4.638 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 150407084 LKQVYGHINYTUQX-OLROSQPISA-N 626.754 4.985 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)cc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163659285 ODWWBVGAPBGTEL-WSDUQJHMSA-N 678.854 4.616 0 40 KJAB Cl[Sn](C[Sn](Cl)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 195752914 YLXJGTSSAOFWCQ-UHFFFAOYSA-L 630.779 4.523 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 222563726 JVJSTHLHMGGHIY-RUZDIDTESA-N 572.127 4.876 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 222637967 BSFSRDGPOBMKOT-QFIPXVFZSA-N 539.673 4.661 0 40 KJAB 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CCn1c(=O)sc2cc(NC(=O)c3ccc(CN(c4ccc(C)c(C)c4)S(C)(=O)=O)cc3)ccc21 225087387 ZQUSMHYDTFRCIV-UHFFFAOYSA-N 509.653 4.918 0 40 KJAB CCn1c(=O)sc2cc(NC(=O)CN(c3ccc(I)cc3)S(=O)(=O)c3ccccc3)ccc21 225087974 CBDQZFMDLZAJDG-UHFFFAOYSA-N 593.468 4.522 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225163976 RIRKSQVWBWTMBD-RTBURBONSA-N 542.529 4.872 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 225190871 LKHIAKLUKADTDP-IBGZPJMESA-N 548.492 4.660 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 225213231 DOECGLZPHPXISJ-SFHVURJKSA-N 676.415 4.686 0 40 KJAB Cc1ccccc1CN(C(=O)CCN1C(=O)c2ccccc2S1(=O)=O)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 225266547 JXPRPMGCHFZMLU-GDLZYMKVSA-N 587.742 4.619 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225307464 MSXJDNJSWJAOBW-HZPDHXFCSA-N 548.920 4.599 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 225351839 YKRLAMLEKBXIOB-JWQCQUIFSA-N 565.736 4.839 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225607745 BIJDRRPONYAHNC-DEOSSOPVSA-N 582.937 4.799 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 225634282 UQUYXPDYGQWFPW-HYBUGGRVSA-N 536.138 4.952 0 40 KJAB CCOC(=O)Cc1ccc(NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 226042154 PDLWUCPKLHZEMI-UHFFFAOYSA-N 522.667 4.855 0 40 KJAB CCCCCC[C@H](C)C/C(C)=C\[C@@H](/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc(O)c([C@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1)CO 229937903 HEECQDWUNPZALD-JSARNZPHSA-N 606.797 4.582 0 40 KJAB biogenic,in-vitro CC(C)CS(=O)(=O)N1CC2(CCN(CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)CCC1(C)C 257247370 IYSGDCPDFDRCCM-UHFFFAOYSA-N 503.631 4.586 0 40 KJAB Cc1cc(N2CCC[C@](O)(CN(C)C(=O)CCCn3c(C(C)C)nc4ccccc43)C2)c2cnccc2n1 257274449 NLBZKXLLJZOWSI-PMERELPUSA-N 514.674 4.681 0 40 KJAB 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CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(I)c1OCc1ccccc1 409138340 AFPBMHZUYLNGBS-CPNJWEJPSA-N 539.391 4.952 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c2=O)=N1 409154485 ORAFRMRNVKPMFI-SQRDCTCHSA-N 639.774 4.742 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 409156175 SUQSTDRFWIRUFV-ZVHZXABRSA-N 549.580 4.835 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OC(F)F)cc3)c(=O)n2[C@H]1c1ccccc1 409158244 XXSZYGKVQPXZPF-MSMNXAATSA-N 532.568 4.537 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc(I)c1OCC(=O)OC 409338285 HHCBZNMQMJRYJB-VCHYOVAHSA-N 675.295 4.679 0 40 KJAB COc1cc([C@H](CC(=O)NCC[C@@H](c2ccco2)c2ccccc2OC)c2oc(C)cc(=O)c2O)ccc1O 524729625 AOUATOWYGWVJDS-YADHBBJMSA-N 533.577 4.830 0 40 KJAB biogenic CC1(C)CCCN(CC(=O)N2CCN(c3ccccn3)CC2)Cc2cccnc2Oc2ccccc2OC1 643575599 NNTGSLLODVUAIX-UHFFFAOYSA-N 515.658 4.619 0 40 KJAB CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C 2095720 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COc1ccc(OC)c([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2cc(C)cc(C)c2)c1 13029083 KGCSVDJCMSKIJY-NDEPHWFRSA-N 529.641 4.755 0 40 KJAB COc1ccc(OC)c([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2cccc(C)c2C)c1 13029105 LUGRRCAULHANGP-MUUNZHRXSA-N 529.641 4.755 0 40 KJAB CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 14154544 PUYVRJZKVXZYDZ-UHFFFAOYSA-N 512.741 4.970 0 40 KJAB COc1ccc(OCC(=O)Nc2cc(OC)c(OC)cc2Cc2nccc3cc(OC)c(OC)cc23)cc1 15304461 KOBLCNZILDQXFU-UHFFFAOYSA-N 518.566 4.886 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 20456436 DCBUHBQPRQMGEB-UHFFFAOYSA-N 517.003 4.668 0 40 KJAB COc1ccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl 22536355 JMVGTYRNMBSHEK-QGZVFWFLSA-N 521.010 4.877 0 40 KJAB CNS(=O)(=O)c1cccc2c(NC(=O)[C@@H](CCCCNC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)cccc12 29748846 WKNSVOUGPPPOHI-RUZDIDTESA-N 598.722 4.676 0 40 KJAB O=C(NCCSCc1ccccc1F)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 30857592 RGFJTVYEZXBCMJ-UHFFFAOYSA-N 519.491 4.724 0 40 KJAB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(I)cc2)cc1OC 32115020 CHBIHLHVBFDQIS-UHFFFAOYSA-N 511.385 4.555 0 40 KJAB Cc1ccc2nc(N(CCCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)sc2c1 38144545 AVOROEGEYAGDGQ-UHFFFAOYSA-N 548.734 4.950 0 40 KJAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1 59331684 OGYRZCLEZQUOAP-UHFFFAOYSA-N 516.667 4.955 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)S(=O)(=O)c2ccccc2)c1 59881487 PKXQOMQVDIGNKX-UHFFFAOYSA-N 609.726 4.955 0 40 KJAB CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)c1nc2cc3c(cc2s1)OCCO3 60210083 VCMLCTCBSQXNFM-NHCUHLMSSA-N 586.780 4.723 0 40 KJAB CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2-c2cccc(C(F)(F)F)c2)cc1 97961666 LXPIIPINQYTYJD-UHFFFAOYSA-N 545.543 4.939 0 40 KJAB COC(=O)c1ccc(CSc2nnc(NC(=O)[C@@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)s2)cc1 97982575 HIRVJHBUDFFBQR-QEEXYULSSA-N 542.727 4.913 0 40 KJAB COc1cc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)[C@@H](C)n2nnc3ccccc32)cc(OC)c1OC 100338742 PQCKXAXRPLYQDW-NGOKVRLYSA-N 575.666 4.830 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1OC)N(C(=O)CCC(=O)Nc1cc(C)on1)c1ccc(OC)cc1OC 100415905 ZGUJARYVGFTSKX-NDEPHWFRSA-N 596.681 4.815 0 40 KJAB CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)n(C)c12 100820349 PGCZNFNPXPCYKT-QPLCGJKRSA-N 503.690 4.682 0 40 KJAB COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc(Br)c1O 102765884 XBBIEGFKVNGMRY-QZNHQXDQSA-N 509.356 4.523 0 40 KJAB CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1[C@H](CCSC)NC(=O)c1ccc(OC)cc1 106240672 CCJDQZHHSQNABA-FQEVSTJZSA-N 534.107 4.915 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3nc4c(s3)CCCCC4)c(=O)cc1[C@@H](NC(C)=O)CC2 108450803 UYCHLUGLUXEWNE-NRFANRHFSA-N 592.718 4.639 0 40 KJAB biogenic Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)ccc2Cl)cc1C 139699406 ABHAIHSRBCHCGW-UHFFFAOYSA-N 572.068 4.601 0 40 KJAB COc1ccc(CCN(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1OC 150372304 IOJIZBSEUPKXMD-HKBQPEDESA-N 648.786 4.698 0 40 KJAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CC(=O)O)C(=O)[C@H]45)[C@@H]32)ccc1COc1ccc(Cl)cc1Cl 150418125 VDVKNAYTGPJFMC-RQNRPJFMSA-N 647.558 4.889 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 222584967 HLDRDRYUFDZOJK-SANMLTNESA-N 600.137 4.639 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 222586260 NXZXOTOHVDDNQR-XMSQKQJNSA-N 576.081 4.889 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 222586665 BUFIIHMPHLUKNW-FDDCHVKYSA-N 542.529 4.524 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 222750695 VFUDEQQXQBFKRH-GFCCVEGCSA-N 574.836 4.595 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 222853976 QRTWMINVKQHJDB-HHHXNRCGSA-N 551.709 4.531 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 222856009 YZIHGHRWYQYTOD-HHHXNRCGSA-N 572.127 4.876 0 40 KJAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 222909034 ITYTYVFHNOVOQX-VWLOTQADSA-N 571.699 4.880 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 222928521 CRDTVQBTOGSJBP-DEOSSOPVSA-N 548.492 4.742 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222934029 IXLOUEPKCAWUJN-MHZLTWQESA-N 648.609 4.943 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 222966978 METDYRWYAWDPMP-HSZRJFAPSA-N 537.682 4.579 0 40 KJAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 222973930 VXACJYCGQAROFR-HSZRJFAPSA-N 501.004 4.763 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223020115 RUXYOPLWVUIUJW-GOSISDBHSA-N 600.565 4.643 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 223052517 OTHYQABAKJAMFW-VWLOTQADSA-N 565.736 4.841 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 223099904 AMALLVQGOSFRCF-DHIUTWEWSA-N 599.725 4.679 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223137843 BZBVMLNAPCZUDD-HKBQPEDESA-N 629.779 4.984 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223159675 RWPYQNURYRQXFY-NDEPHWFRSA-N 565.736 4.754 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 223290655 BZIKQWAZELGGNZ-DEOSSOPVSA-N 566.482 4.881 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC)S(C)(=O)=O 223334470 GTTOOUAZJLPAAU-SVEHJYQDSA-N 579.763 4.715 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 223355490 VIDYXMANJIYKFW-NDEPHWFRSA-N 570.155 4.971 0 40 KJAB O=C(NCc1ccccc1)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223369946 KHDMIFQNQLZTHQ-XIFFEERXSA-N 648.181 4.826 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 223392089 POVHLDJLRVGKEV-LJQANCHMSA-N 542.529 4.710 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 223429465 SVBKOJDYVSQHKA-MHZLTWQESA-N 572.127 4.714 0 40 KJAB CCc1ccc(OCCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 223495999 MJQCTTSFXPJGMI-UHFFFAOYSA-N 506.546 4.658 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 223596545 NPRYXSJRXMZPIG-GDLZYMKVSA-N 595.762 4.930 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223661249 FCFJDXHNWLHCOT-GDLZYMKVSA-N 565.736 4.923 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223678639 OVHPTQISPQGRKK-JOCHJYFZSA-N 542.529 4.792 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 223855843 IMTJFSBBCDREEB-QHCPKHFHSA-N 569.699 4.590 0 40 KJAB COc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)cc1 224093604 WGANGERPQRNRJW-VWLOTQADSA-N 577.747 4.718 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c(C)c1 224400760 YKNCOBOGWUMQCK-NDEPHWFRSA-N 567.727 4.763 0 40 KJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224417513 SZQOXGOKOSNYNC-RUZDIDTESA-N 502.677 4.511 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 224418409 FYZVMANWEXTYIH-IBGZPJMESA-N 572.555 4.738 0 40 KJAB CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCCC2)c1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 224605939 XEWUBUNVLWXEBU-UHFFFAOYSA-N 535.754 4.833 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)c1 224715622 PZHWITZFAGZTRY-IBGZPJMESA-N 554.540 4.934 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 224983287 PJRLSHDVJMBWTB-DNQXCXABSA-N 551.709 4.531 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 225017808 DFEYEQHENPMZJG-JOCHJYFZSA-N 602.153 4.804 0 40 KJAB COc1cccc(CN(C(=O)COc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 225124479 JKVAMJOGJZPVMM-MHZLTWQESA-N 504.602 4.912 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 225168252 NECSVGFJGBTVGI-VWLOTQADSA-N 534.122 4.671 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 225174992 OLPMYXXVURZRPF-QHCPKHFHSA-N 539.673 4.663 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 225214680 LHRXQLLHHXUKGV-DNQXCXABSA-N 553.700 4.970 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2c(C)[nH]c(C)c2I)cc1C 225261738 PCDLVFYKOQBSGO-PKTZIBPZSA-N 575.476 4.702 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 225394442 CWYFUFOTVQXJNY-MHZLTWQESA-N 581.735 4.541 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)c2cc(C)cc(C)c2)cc1OC 225504396 SHDKNTFZXZLHBQ-VWLOTQADSA-N 595.762 4.766 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 225559329 PDEFUTSCTAIRFD-HKBQPEDESA-N 585.726 4.585 0 40 KJAB Cc1[nH]c(C)c([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1I 225584932 IYJDASYSTHLFEE-FCHUYYIVSA-N 563.440 4.772 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 225596733 QCBNUPNVKPBPBE-WZONZLPQSA-N 542.529 4.790 0 40 KJAB O=C(NCc1cccnc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1 225790578 WYWZUFBRZWEXHU-UHFFFAOYSA-N 565.076 4.891 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCCCNc3ccnc4cc(Cl)ccc34)CC2)c(C)c1 226076605 IXYOTBJOIILDDS-UHFFFAOYSA-N 529.106 4.833 0 40 KJAB CN(Cc1ccccc1)C(=O)C[C@]1(COc2cccc(Cl)c2)CCCN(C(=O)CN2CCCCCC2=O)C1 257311049 UHSKYRLZEIYFIK-SSEXGKCCSA-N 540.104 4.779 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC)S(=O)(=O)c2ccc(SC)cc2)cc1 260863222 XTKKHYNXSSLWAZ-HXUWFJFHSA-N 590.167 4.819 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c2ccc(F)cc2)cc1 260885733 CJQHAAOXGGJSOJ-PKTZIBPZSA-N 599.725 4.760 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)N[C@H](C)CC)c2ccccc2)cc1 260902325 OSFVDOWCGLWANT-RPWUZVMVSA-N 551.709 4.613 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 261036482 YFAIMQGULISAPN-HSZRJFAPSA-N 641.762 4.913 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 261064945 OPGQJRJNUJECEA-DFHRPNOPSA-N 616.180 4.678 0 40 KJAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)OCC(=O)c4ccc(Br)cc4)cc3)CC2=O)cc1 408642094 NSWGQQAGYZYUPP-FQEVSTJZSA-N 565.420 4.879 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 408680539 NCDAZHMFSCFJNF-UHFFFAOYSA-N 536.075 4.634 0 40 KJAB CCOc1ccc(NC(=O)COC(=O)[C@@H](C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 408684354 JSHQUSULBQUQMP-SECBINFHSA-N 534.179 4.865 0 40 KJAB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)cc2)c(OC)c1 408686761 SSUKDMAIVONONO-LYBMHKGZSA-N 588.616 4.896 0 40 KJAB CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1ccc(Br)cc1 408737737 OHHGSMUTLYFCNE-OAQYLSRUSA-N 501.377 4.650 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 408802269 XXOQPTQVFIFDRV-ZGOFBEGVSA-N 546.595 4.656 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc(C(=O)OCC)cc4)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408833078 RLJZEHXCUWPNQV-ITNAUSPISA-N 626.731 4.953 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)O)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408859562 YEBXPJXDIDQVAY-ZGOFBEGVSA-N 572.639 4.544 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C\c3cc(Br)c(O)c(I)c3)c2=O)=N1 408924893 RQWBYZXXZKIJQV-AFHVAHMMSA-N 683.362 4.660 0 40 KJAB CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)ccc1OCc1ccccc1F 409030552 GFZHVFJVVFLTAW-HDFSHUSISA-N 572.658 4.915 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)OC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409047283 TYFOPALXBARCKF-FVTDTAELSA-N 694.000 4.562 0 40 KJAB CC(=O)Nc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 409079577 KZWDRZDXZMPYKG-UHFFFAOYSA-N 550.862 4.891 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409088423 LSUKYKQAKBMARV-OGRZUZBBSA-N 516.066 4.910 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCCC4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409093958 BXAYOVFHTAPQNP-JNCGISBCSA-N 553.128 4.730 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc24)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC 409101463 UCQDFHUCBJZCAI-NLMYKXADSA-N 769.658 4.821 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C1=O)Nc1ccccc1N1CCOCC1 409204270 FBLBVGUWFHKONO-NHFJDJAPSA-N 559.644 4.656 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc(Br)c1O 409327943 NVFDFRCVOYYHKU-CXUHLZMHSA-N 556.232 4.991 0 40 KJAB CCOc1ccc(S(=O)(=O)CCC(=O)N2CCC3(CCCCc4ccccc4OCCCC(=O)NC3)CC2)cc1 643562071 MWGKRLFTKUVAQQ-UHFFFAOYSA-N 570.752 4.560 0 40 KJAB Cn1c(SCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)nnc1-c1ccc(NC(=O)c2ccc(F)cc2)cc1 624702 RLBBWLKREUNRIM-UHFFFAOYSA-N 565.074 4.968 0 40 KJAB CCOc1ccccc1CN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 933678 CXBDULKQQWTLMH-UHFFFAOYSA-N 558.722 4.660 0 40 KJAB O=C(NCc1ccc(F)cc1)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 1372417 PUELWOMZNKRYPM-GDLZYMKVSA-N 525.559 4.796 0 40 KJAB O=S(=O)(c1cc(Cl)ccc1Cl)N(C1=NCCS1)S(=O)(=O)c1cc(Cl)ccc1Cl 4195976 SFFHKRDHPLLHKA-UHFFFAOYSA-N 520.268 4.783 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4cccc(Br)c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 8407029 XXEVUSFEPAHUCL-PRLWALMFSA-N 663.546 4.797 0 40 KJAB CCCCCCc1c(C)c2ccc(OCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)cc2oc1=O 8738908 FIQIWURNDMHKGD-RUZDIDTESA-N 504.583 4.896 0 40 KJAB biogenic Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 10365998 OISGEQLJTYDGIK-UHFFFAOYSA-N 509.609 4.573 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)c(Cl)c1 13023483 UMIYWBBCRZELDQ-DEOSSOPVSA-N 508.985 4.698 0 40 KJAB CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CCN(c2ccccc2O)CC1 13113068 GKDAOMJBFHEOTP-UHFFFAOYSA-N 500.020 4.712 0 40 KJAB Cc1ccc(Cn2c(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cs/c2=N\c2ccccc2)cc1 16753606 SNSJIWXDSRCLPJ-DQSJHHFOSA-N 505.665 4.827 0 40 KJAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 22428571 OFOQPAYMLBRCKB-QGZVFWFLSA-N 503.418 4.530 0 40 KJAB CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 57642267 DNWQLFGALYAEMW-UKILVPOCSA-N 504.610 4.603 0 40 KJAB CCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4OC)[C@@H]3C2=O)cc1 97955297 UNGVCUZYNZMLNZ-IARZGTGTSA-N 532.593 4.942 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCCOc4cc(C)cc(C)c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 97958566 PEFBQSRQEKTSBR-AOFXREQWSA-N 628.747 4.890 0 40 KJAB O=C1c2cccc3cccc(c23)C(=O)N1CCN(C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(F)c1 97984754 UQQUXKOVLKYPJO-UHFFFAOYSA-N 585.657 4.709 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)c1cccc(Cl)c1 100095946 KQVYDLYAXUHMOU-UHFFFAOYSA-N 562.113 4.733 0 40 KJAB COc1cc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccc3c(c2)OCCO3)c2ccccc2OC)ccc1O 100342623 GBMFZIJRMFAWIA-NDEPHWFRSA-N 532.593 4.628 0 40 KJAB CCc1ccc(N(C(=O)CCC(=O)Nc2cc(C)on2)[C@@H](C(=O)NC(C)(C)C)c2cccc(OC)c2OC)cc1 100416505 CVSWJMSIMHIUFZ-HHHXNRCGSA-N 550.656 4.971 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 100534166 NCAZWOAZNPFENQ-ZJTZAHLKSA-N 589.069 4.759 0 40 KJAB CC[C@H](C)n1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 103002503 QPHKNEWELBQXOJ-SFHVURJKSA-N 543.715 4.880 0 40 KJAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 103048869 BDVKYVIOGDMAAF-UHFFFAOYSA-N 553.706 4.645 0 40 KJAB COc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4cccc(OCC(C)C)c4)cc3)CC2)cc1 105352032 VIEQYDFLSMMEGI-UHFFFAOYSA-N 546.693 4.819 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NC3CCCCC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 108450791 HDDXPTYEWBEJJQ-OUTSHDOLSA-N 565.711 4.748 0 40 KJAB biogenic O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)NCCSc1nc(-c2ccccc2)n[nH]1 222729188 XVODNOCTUHUMIQ-UHFFFAOYSA-N 577.610 4.579 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 222863511 RNAXIBSWLODCSY-MHZLTWQESA-N 569.699 4.670 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 223002980 CCYINXKJBMEVRW-QHCPKHFHSA-N 539.673 4.663 0 40 KJAB COc1cccc(CN(C(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 223018971 JFLFFTPQQMFLFZ-HKBQPEDESA-N 593.790 4.962 0 40 KJAB COc1ccc(OC)c([C@H](C)NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)c1 223078860 PPJHYAIISQSUMT-SFHVURJKSA-N 547.471 4.847 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 223164849 GLKXPVAHINKRSM-FUHWJXTLSA-N 572.953 4.509 0 40 KJAB COCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223396760 LBWYFGRWLGPICS-SSEXGKCCSA-N 598.165 4.636 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 223654143 LPRXJTQCUGOWNH-SANMLTNESA-N 592.545 4.544 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 223692710 YJDHSJGDFTVBDT-RUZDIDTESA-N 515.720 4.608 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 223703500 KLHCWZYBOJQFFC-XMMPIXPASA-N 535.710 4.893 0 40 KJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1Cc1cccnc1 223922619 IXGPPLCNUUHFHE-FQLXRVMXSA-N 524.694 4.957 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 223980350 XRCILXPLLVQYDY-SETSBSEESA-N 579.763 4.633 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1Cl 223990799 ZNLHWKBLRCAMEY-INIZCTEOSA-N 590.957 4.898 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224140580 JKCZEBNPIQBKFB-FQEVSTJZSA-N 662.578 4.887 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 224359685 HBOSFCMBQCYMQA-VWLOTQADSA-N 560.091 4.926 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 224396719 QAELRFDBHQGDCO-SANMLTNESA-N 622.532 4.660 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 224426123 GDCQOWAZVLXZKE-MUUNZHRXSA-N 614.606 4.998 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 224461935 DRBJDEOIUVLSMZ-RUZDIDTESA-N 620.555 4.903 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOCc3ccccc3)Oc3ccc(C(C)(C)C)cc32)cc1 224510035 ZWECPNCQSHNFRY-MHZLTWQESA-N 522.667 4.582 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224660578 BBNSMSFLBAOGCM-GOSISDBHSA-N 540.513 4.626 0 40 KJAB Cc1ccccc1N(CCCC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 224729188 IQUSSIDJLGIYKO-NRFANRHFSA-N 578.573 4.780 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 225085188 KJFBUSNHEOKHMG-RUZDIDTESA-N 632.179 4.895 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 225103434 SJOJGYVXMJOPQH-LOSJGSFVSA-N 595.762 4.848 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 225227186 AWYMAQVIBUDWBP-NHCUHLMSSA-N 651.542 4.958 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 225389506 AZISEUNLFVWKSK-MUUNZHRXSA-N 603.160 4.648 0 40 KJAB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)ccc1NS(C)(=O)=O 225441249 RJIHGODVASFBKK-RPBOFIJWSA-N 525.700 4.946 0 40 KJAB C[C@H]1CCCCN1c1cc(N2CCCCC2)nc(NC(=S)NCC2(c3ccccc3)CCOCC2)n1 225992501 DZNZFIDLZJMPCZ-QFIPXVFZSA-N 508.736 4.881 0 40 KJAB CCc1cc(Br)cc(C)c1NC(=O)CN(CC)S(=O)(=O)c1ccc(Br)cc1 226073326 RQYINQIWUXRYGZ-UHFFFAOYSA-N 518.271 4.732 0 40 KJAB CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)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 245204433 BBNQHOMJRFAQBN-JSLLJNEGSA-N 725.788 4.567 0 40 KJAB CC1(C)CCC2(CCN(c3ncc(C(=O)O)c(CCc4cccc(F)c4)n3)CC2)CN1S(=O)(=O)c1ccccc1 257238645 HLXLRGOYNDQUDH-UHFFFAOYSA-N 566.699 4.949 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1C 260766432 GTJDUBYNLGXPHR-HSZRJFAPSA-N 553.700 4.970 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cccc(C)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 260949625 FEAQPVHPGLFXAC-SSEXGKCCSA-N 561.748 4.768 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c1 260954111 UMLLXLWSYPDTRD-MUUNZHRXSA-N 570.155 4.827 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 260958050 KSTXOAAURVTDMU-RPWUZVMVSA-N 553.700 4.970 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 260989268 PRWXMNKKQJZQJS-VXKWHMMOSA-N 572.127 4.876 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)N[C@H](C)CC)c2ccccc2)cc1 261005584 SLVQJKOAYZIUPV-DHIUTWEWSA-N 569.699 4.752 0 40 KJAB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)cc2)c1 408638106 BVMMCLCUINPEPH-USYGTZDMSA-N 611.050 4.861 0 40 KJAB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c(C)cc1Br 408658855 RRCUYSCMWKHDJF-CYBMUJFWSA-N 514.203 4.908 0 40 KJAB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc(C)c1Br 408664620 CQTPADCWKLISTF-CYBMUJFWSA-N 514.203 4.908 0 40 KJAB Cc1cc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)no1 408670787 YIVLNPHOSMODHT-LNSKPXDASA-N 572.448 5.126 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 408679054 HXYXQEGZUHBKJM-UHFFFAOYSA-N 582.531 4.975 0 40 KJAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408687963 VUVPTZLTLMIQGQ-PCLDUBMHSA-N 543.019 4.739 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 408693177 HZUDECSJSWBXKM-HNNXBMFYSA-N 574.533 4.895 0 40 KJAB Cn1c(=O)n(C)c2cc(NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccc(Cl)cc4)cc3)ccc21 408705039 XJCKBMWSIHIUSM-VWLOTQADSA-N 507.015 4.557 0 40 KJAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(c1ccccc1)c1ccccc1 408737206 LWOQAIOOXKXHJM-WUFINQPMSA-N 525.649 4.731 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1O 408877719 YAXHXEUBFFTAJD-CHHVJCJISA-N 531.306 4.857 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccc(C)cc5)c(OC)c4)c(=O)n32)cc1OCC 408943912 ZORMYISXJATPQT-QOYFHJFVSA-N 614.720 4.712 0 40 KJAB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3c(C)n(C)c4ccccc34)c(=O)n21 408959059 YEHKSOQNRCBXHT-ZSJKCPIUSA-N 594.531 4.758 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 408989307 TWTLASHTBLIEOP-KOTZUYRHSA-N 510.615 4.625 0 40 KJAB O=C(CN1C(=O)N/C(=C\c2cccn2-c2cccc(Br)c2)C1=O)Nc1ccc(Br)cc1 409015027 QZFWDBXBTAORBK-UNOMPAQXSA-N 544.203 4.534 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409038546 PEQMBPQCNRUPST-QARYAGPDSA-N 601.121 4.655 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C3\C(=O)Nc4ccc(Br)cc43)c2=O)=N1 409109615 IDJOMTDTIPZDOJ-FXEAUDGPSA-N 632.536 4.825 0 40 KJAB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc(Cl)c(Br)c3)n2C)c1 409126044 DOAFTAYDOQOHKB-CYBMUJFWSA-N 522.856 4.761 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OC(F)F)c(OC)c4)c(=O)n32)c(OC)c1 409157366 IXKGVRPBYBCHSU-FQKMCRJQSA-N 607.635 4.501 0 40 KJAB Cc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccc(I)cc3C)n2C)C(C)C)cc1 409170925 XETGQQNATKNFHU-NRFANRHFSA-N 577.492 4.894 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc(I)c1OC 409178530 KSYPIUVCDZTMIG-YBFXNURJSA-N 566.417 4.990 0 40 KJAB COc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 409189322 JGXQTXHCTJTBHE-ODLFYWEKSA-N 523.925 4.938 0 40 KJAB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccc(OC)cc2)N[C@@H]1c1cccc(Br)c1 409336085 LVKJTQLUZHLNFX-OAQYLSRUSA-N 518.433 4.667 0 40 KJAB COc1ccc(CCN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)Cc2nnnn2C2CCCCC2)cc1OC 927156 PZZAAFPQEOHKGH-UHFFFAOYSA-N 530.673 4.899 0 40 KJAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c(C)c1 941749 NSJIISMRTBVCGL-UHFFFAOYSA-N 504.153 4.695 0 40 KJAB COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCN(Cc5ccccc5)CC4)CC(=O)N32)c(OC)c1 2105044 SAHIQQLPRMEPKM-ZQAZVOLISA-N 564.686 4.535 0 40 KJAB biogenic Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)cc2)no1 3235996 WUZJEATWLOGXEN-UHFFFAOYSA-N 511.560 4.884 0 40 KJAB O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(S(=O)(=O)N2CCCC2)c1)c1c[nH]c2ccccc12 3302054 GDUSKZWUGMVJDE-UHFFFAOYSA-N 544.658 4.627 0 40 KJAB Cc1cc(C(=O)CSc2nnc3n(-c4ccccc4)c(=O)c4ccccc4n23)c(C)n1C[C@@H]1CCCO1 3326973 REJNSJGBNLWPBU-NRFANRHFSA-N 513.623 4.606 0 40 KJAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 4293318 WQWUZOIEUXKCCY-LSYYVWMOSA-N 596.043 4.936 0 40 KJAB biogenic Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 6183601 YSTLNTCBSSPNOE-UHFFFAOYSA-N 521.536 4.916 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC3CCCCC3)c3cccs3)n2)cc1 7060964 XUGOOULYMLPEEG-RUZDIDTESA-N 550.710 4.691 0 40 KJAB O=C(OCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 12972786 IOZYBBBAJPOANB-NRFANRHFSA-N 527.042 4.670 0 40 KJAB CCN(c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1)S(=O)(=O)c1ccc(C)cc1 13585313 PIDXBZMWZKNACL-UHFFFAOYSA-N 503.418 4.990 0 40 KJAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(c4cccc(C)c4C)CC3)cc2c1 20080017 YTYLZWNGNHHULC-MUUNZHRXSA-N 527.673 4.557 0 40 KJAB COCCn1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N(Cc1ccccc1)Cc1ccc(F)cc1 20083183 TYSGZHYWNFEWAN-NDEPHWFRSA-N 526.616 4.709 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)c2ccc(C)cc2)cc1Br 20239898 MBSDETPTWIDZNY-SFHVURJKSA-N 517.445 4.839 0 40 KJAB COc1ccccc1CN(C)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 22431024 KZLDHEMXPBMABW-UHFFFAOYSA-N 517.445 4.620 0 40 KJAB CCC[C@H](c1nnnn1C[C@H]1CCCO1)N(Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O 33937264 CHEDUFQRLCUMNA-AOYPEHQESA-N 504.610 4.685 0 40 KJAB Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2=O)cc1 40478449 QEPRBOBBJGRNFY-UHFFFAOYSA-N 501.892 4.831 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)c2ccc(Cl)cc2)cc1OC 44904097 VJMZQSCBNQAUJR-MRXNPFEDSA-N 506.983 4.569 0 40 KJAB COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccccc2Br)c1 57222698 AVOZICOKQQFZDG-UHFFFAOYSA-N 508.416 4.810 0 40 KJAB COc1ccccc1N(CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccccc1 59646116 FHAJVJDJZOXMQP-UHFFFAOYSA-N 555.700 4.824 0 40 KJAB O=C(NC1CCCCC1)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 60028237 KLDVLCQCZHYBDD-UHFFFAOYSA-N 562.530 4.692 0 40 KJAB COc1cc(/C=C/C(=O)N[C@H](C)C(=O)O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 62715667 HOHIIVZCRNZOET-DUMNWFOQSA-N 503.176 4.946 0 40 KJAB COc1cc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 97954642 PXHSXXUPXFGWPL-AWCRTANDSA-N 534.568 4.961 0 40 KJAB COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)sc2c1CC(C)(C)NC2(C)C 97963582 NFQAEJZPHGZELT-CALCHBBNSA-N 547.743 4.613 0 40 KJAB O=C(NCc1ccccc1)C(=Cc1sc(N2CCOCC2)nc1-c1ccccc1)C(=O)NCc1ccccc1 97981413 LYCCGIHOGVBXGN-UHFFFAOYSA-N 538.673 4.663 0 40 KJAB CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cccc(OCC)c3n2C)cc1 100820352 USKJAFPBIVVEMT-QPLCGJKRSA-N 503.690 4.971 0 40 KJAB CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(OCC)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OC 101183051 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CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cc(Br)c(O)c(OC)c3)c2=O)=N1 409034267 NALKAXPQIJYTMN-YOKWNPFVSA-N 666.388 4.826 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(I)cc2C)S(=O)(=O)c2ccccc2)cc1 409120403 VTTNNIHQETYFIM-UHFFFAOYSA-N 550.418 4.832 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409121968 WFKSRLAVLYYJPZ-VHBBHFJJSA-N 576.461 4.565 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(Oc2ccccc2)cc1 409138468 CEYZNGGFXASYLB-UHFFFAOYSA-N 543.645 4.856 0 40 KJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(I)cc3)cc2)cc1 409147095 UVITUQRNQGCXDO-UHFFFAOYSA-N 506.365 4.677 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c2=O)=N1 409150969 FONBXQLSBOCEHS-NTNOMAAHSA-N 640.806 4.515 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Br)c1O 409237219 IKRYNMQAEVWYPZ-CXUHLZMHSA-N 511.781 4.882 0 40 KJAB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2nnc(CC)s2)N[C@@H]1c1cccc(Cl)c1Cl 409336181 MUESJPGLMZSEOZ-QGZVFWFLSA-N 514.460 4.617 0 40 KJAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc(I)cc1 409340675 AIJJRVCTEYNGTF-UHFFFAOYSA-N 522.412 4.829 0 40 KJAB COC(=O)c1ccc(Cn2cc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)c3ccccc32)o1 409391959 KNOKTBMAWHTNQP-QRVIBDJDSA-N 515.547 4.744 0 40 KJAB COc1ccccc1CC(=O)N1CCCC[C@H]2CN(c3ncc(C(=O)O)c(CCC4CCCCC4)n3)C[C@@H]21 585266187 VPFFHRWSXWBBLD-OZXSUGGESA-N 520.674 4.756 0 40 KJAB O=C(CN1CCCCCOc2ccccc2N(CC(=O)NCCc2ccccc2)c2cncc(c2)C1=O)NCCc1ccccc1 643584589 GHNATOMSWHAZFN-UHFFFAOYSA-N 619.766 4.942 0 40 KJAB O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1NC(=O)c1cccc(F)c1)Nc1ccc(Cl)cc1 720167 BEQUUWQJVRWMDB-HXUWFJFHSA-N 531.396 4.808 0 40 KJAB COc1ccc(CNC(=O)[C@H](c2ccc(OC)cc2)N(Cc2ccccc2)C(=O)[C@@H]2COc3ccccc3O2)cc1 898215 CUVVWDRPIUUVRC-CONSDPRKSA-N 552.627 4.930 0 40 KJAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1OS(=O)(=O)c1ccccc1 2062449 HOMCGUZYZRIGQI-PAIGMYNKSA-N 507.567 4.851 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(Br)(c5ccccc54)[C@H]3C2=O)cc1 2068330 OUXHXCKXHFCOBZ-KWMZMRFFSA-N 502.364 4.767 0 40 KJAB COC(=O)C1=NN(c2ccc(Br)cc2)[C@@]2(S1)SC(C(=O)OC)=C(C)N2c1ccccc1 2367999 UNRMNYOCVUPXQL-OAQYLSRUSA-N 520.430 4.758 0 40 KJAB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)c(Br)c4)c(=O)n32)c1 3770537 SFCHFPHVNUYZNA-RISWYLRJSA-N 590.499 4.654 0 40 KJAB O=C(CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 4014553 PZQARDNXDKTXFL-NSOVKSMOSA-N 574.678 4.694 0 40 KJAB CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)Nc4ccc(Oc5ccccc5)cc4)CO[C@H]23)cc1 4235820 XCRKJKHBCMHSLZ-BKKFENPESA-N 517.538 4.587 0 40 KJAB biogenic,in-vitro COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C(C)C)cc2)cc1 6190860 VWMDZDHLVIQVHI-AREMUKBSSA-N 557.676 4.661 0 40 KJAB COc1cc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)cc(OC)c1OC 8835186 GCVKGXYOVCLARB-UHFFFAOYSA-N 507.568 4.970 0 40 KJAB CCOC(=O)c1sc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)sc2c1C 12140127 DLRXVZHLQSIQMK-ZDUSSCGKSA-N 507.659 4.516 0 40 KJAB O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 13815536 PDGHWJAKXKHZBB-VETGKBFTSA-N 504.995 4.888 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)c1ccc(Cl)c(C(F)(F)F)c1 19856599 ROVNAKMUAPYFGT-UHFFFAOYSA-N 503.699 4.665 0 40 KJAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1ccc(F)c(F)c1F 20010834 SKHLBQKVSVZFRW-UHFFFAOYSA-N 513.335 4.696 0 40 KJAB C[C@@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(Br)cc1 20010925 LSYNLAHWRDFTSO-QGZVFWFLSA-N 505.409 4.657 0 40 KJAB O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20455721 YNMYEVPIBVROEH-UHFFFAOYSA-N 520.998 4.718 0 40 KJAB Cc1ccc(Cn2nc(C)c3cc(C(=O)NCCN4C(=O)S/C(=C/c5cccnc5)C4=O)sc32)cc1 33415569 KTPPDCAUUKOEPL-WSDLNYQXSA-N 517.636 4.624 0 40 KJAB COc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)n2C)C(C)C)cc1 33744016 BFDFTGHXMWQAFC-HXUWFJFHSA-N 522.458 4.988 0 40 KJAB CC[C@@H](c1nnnn1C[C@H]1CCCO1)N(Cc1ccccc1Cl)Cc1cc2cc(C)ccc2[nH]c1=O 33937097 WAJVGKFDWHDGGY-RDGATRHJSA-N 507.038 4.809 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)Cc2ccc(Cl)cc2)c(C)c1 34792543 YZZRVFQNBMISCH-UHFFFAOYSA-N 515.031 4.866 0 40 KJAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)cc1 57316566 QXGCTXSKTLBYDN-UHFFFAOYSA-N 523.486 4.824 0 40 KJAB COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2cc(OC)c(OC)c(OC)c2)cc1 85877327 JFVVQUNXJXHPDR-QGZVFWFLSA-N 504.491 4.641 0 40 KJAB biogenic COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)ccc1C 97982891 DAVCZUGBMJCIAY-UHFFFAOYSA-N 569.636 4.997 0 40 KJAB Cc1c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 98008152 VMGCAAKATMSJIG-UHFFFAOYSA-N 532.029 4.511 0 40 KJAB COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)c1 100363435 FPIMDBCGFYKORC-SSEXGKCCSA-N 539.636 4.866 0 40 KJAB O=C(NC1CCCCC1)[C@@H](c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 100363627 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CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 260902832 FCCCNBZXMMXYKE-DNQXCXABSA-N 641.787 4.638 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 261074442 QFBYRBCVHLRJJB-FIPFOOKPSA-N 570.155 4.969 0 40 KJAB Cc1cc(C)cc(N(CCCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 261085726 SDLDUEWVVSYPFE-OAQYLSRUSA-N 536.138 4.835 0 40 KJAB Cc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)Nc2cccc(F)c2)cc1 408575169 JWEGEZVEHSEYSI-UHFFFAOYSA-N 509.335 4.812 0 40 KJAB COc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3cccc(C)c3)cc3cc(Br)ccc32)cc1 408576077 MEQQEUUDCLSIBS-UHFFFAOYSA-N 521.371 4.682 0 40 KJAB COc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCc4ccc(C(C)C)cc4)CC3=O)cc2)cc1 408579797 PCDOMLBKPQCZEC-HSZRJFAPSA-N 515.610 4.505 0 40 KJAB Cc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1S(=O)(=O)Nc1ccccc1 408630598 VMNPLXSWRYQZIT-UHFFFAOYSA-N 503.546 4.777 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408859001 VIANIDNWYYXJDH-FCYPAOMHSA-N 518.679 4.883 0 40 KJAB COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1I 408920714 KSPDLCFXYFQJMB-RQLGBQGVSA-N 620.534 4.522 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OCC)c4)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408976935 VABGYKLFQOQWEF-OXWVMCNISA-N 586.666 4.634 0 40 KJAB CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc24)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC 409096251 JILOWBPLKNMRAS-BFOKUZPWSA-N 585.726 4.673 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)c2ccc(C)c(C)c2)cc1 409134613 SLRHFXQPSYCNSO-UHFFFAOYSA-N 507.656 4.832 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc(Br)c1OCC(=O)OC 409173052 LFAORPUSKXEHMT-JAIQZWGSSA-N 577.453 4.691 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)ccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1cccs1 409196288 YMUVNGLGHMTLBV-FJWZAKCXSA-N 569.060 4.560 0 40 KJAB COCCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(I)c2)C1=O 409231641 DQXXMEGATHZBMG-CPNJWEJPSA-N 509.365 4.943 0 40 KJAB COc1cc(C(=S)N2CCCC2)cc(I)c1OCC(=O)Nc1ccccc1Cl 409255711 IMMINDCGSXLLTP-UHFFFAOYSA-N 530.815 4.742 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc(I)c1OC 409330143 JKSURWAMXBGUOC-LICLKQGHSA-N 664.259 4.978 0 40 KJAB COc1ccccc1OCc1nnc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n1C 409365195 XOYHTIRGJLFPCH-UHFFFAOYSA-N 502.021 4.910 0 40 KJAB COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O 524729737 HLJMUMPCBGWJML-ONOMSOESSA-N 521.566 4.811 0 40 KJAB biogenic O=C(CN1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1)Nc1nc2ccc(F)cc2s1 643555803 CDHMNBGQMXUJOC-UHFFFAOYSA-N 524.662 4.768 0 40 KJAB O=C1CCCOc2ccccc2CCCCC2(CCN(C(=O)c3cccc(CN4CCCC4=O)c3)CC2)CN1 643561703 CKJKQSYAHXLEAE-UHFFFAOYSA-N 531.697 4.733 0 40 KJAB O=C(NC1CCCCC1)[C@@H](c1ccc(O)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)Cc1cccs1 922523 JCJBIGZVIJXDIM-HHHXNRCGSA-N 506.624 4.944 0 40 KJAB COC(=O)c1ccccc1NC(=O)CSc1nnc(CNc2ccc(OC)cc2)n1-c1ccc(C)cc1 925382 IFAIQBZABJTUCW-UHFFFAOYSA-N 517.611 4.714 0 40 KJAB CCOc1c(I)cc([C@@H]2NC(S)=NC(C)=C2C(=O)Nc2ccc(C)cc2)cc1OC 2143069 SRNJQQREJHMOAW-IBGZPJMESA-N 537.423 4.850 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 6545205 SNQMSCAVYZRKAF-RISWYLRJSA-N 607.482 4.746 0 40 KJAB CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)CC)c2c[nH]c3ccccc23)cc1 6821949 RPDWYGAZFFEMDX-QHCPKHFHSA-N 532.670 4.561 0 40 KJAB O=C(c1ccccc1)c1cccc(N2C(=O)[C@H]3C4C=CC([C@@H]3C2=O)[C@H]2C(=O)N(c3cccc(C(=O)c5ccccc5)c3)C(=O)[C@H]42)c1 8432952 XDQQGNXZUDBWGW-YJOSPCTQSA-N 606.634 4.876 0 40 KJAB CCCOc1ccc([C@H]2CN3C(=O)CN(CCCOC(C)C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC 8789653 WFAFUVZCQSGTDE-IPBJYNAHSA-N 533.669 4.812 0 40 KJAB biogenic COc1cc2c(c(OC)c1OC)-c1ccc(NCCc3c[nH]c4ccccc34)c(=O)cc1[C@@H](NC(C)=O)CC2 8917750 BHCOVAYRUGCBDE-VWLOTQADSA-N 527.621 4.999 0 40 KJAB biogenic C[C@@H](C(=O)NCCC(c1ccccc1)c1ccccc1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8918181 MXTJQBHWHSAZIO-MNAQKMTRSA-N 520.633 4.930 0 40 KJAB biogenic COc1ccc(C2=NN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](c3ccccc3OC)C2)cc1OC 9075316 SKBFYZFEGVELGK-NRFANRHFSA-N 506.555 4.730 0 40 KJAB O=C(CCCCCn1c(=O)c2sccc2n(CC(=O)c2ccccc2)c1=O)NCc1ccccc1Cl 9598790 QXCQTYJXZYTNAS-UHFFFAOYSA-N 524.042 4.638 0 40 KJAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 11617242 RRAOIABBXYVHMC-UHFFFAOYSA-N 503.646 4.890 0 40 KJAB Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccc(F)cc2)Cc2ccco2)c(C)c1 11916646 MBNGJSPLKHSGIP-UHFFFAOYSA-N 508.575 4.688 0 40 KJAB O=C(NCC(=O)N(c1cccc2ccccc12)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1)c1cccs1 12489339 QHGVCWIDQBKASD-FIPFOOKPSA-N 527.646 4.701 0 40 KJAB CC(C)CCNC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 12712895 KTVSDPORQYKJOJ-MHZLTWQESA-N 505.569 4.642 0 40 KJAB CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3ON2c2ccccc2)cc1OC 18010912 BZYYLYYTEBWSRW-VJGNERBWSA-N 502.567 4.934 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 20007520 HGXCKHSLOTVXQW-FQEVSTJZSA-N 510.509 4.690 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 20009981 SNBKNCLVOCIKAG-KKSFZXQISA-N 507.439 4.769 0 40 KJAB Cc1ccc(C)c(N2CCN([C@@H](c3cc4c(C)cc(C)cc4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)c1 20079739 LQNMRTOOSRXMNA-PMERELPUSA-N 533.680 4.708 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)c2ccc(F)cc2)cc1OC 20488393 VWZYXTVPIDFXBY-IBGZPJMESA-N 500.592 4.532 0 40 KJAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 22233545 NEPLQYZHMPHKLM-UHFFFAOYSA-N 507.381 4.572 0 40 KJAB Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(Cc4ccc(Cl)cc4)nn3c2=O)c1 97946842 LIFGSMJOMXHDIL-QQXSKIMKSA-N 552.059 4.773 0 40 KJAB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1 97954872 LIBDXMDOAPMSDR-HJOGWXRNSA-N 523.383 4.908 0 40 KJAB COc1ccc(-n2c(SCCC(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)nnc2-c2ccc(C)cc2)cc1 101036780 BFOTZQZCSOYUMG-UHFFFAOYSA-N 601.714 4.963 0 40 KJAB CC[C@H](Sc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NC[C@H]2CCCO2)CC1)C(=O)Nc1ccc2c(c1)OCO2 101311399 GBNYHGDFIDHZLP-JWRIRNCVSA-N 606.745 4.736 0 40 KJAB CCc1ccc(C(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)cc1 103080101 ZCAYCYBTSRORCA-UHFFFAOYSA-N 545.032 4.592 0 40 KJAB CCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1NC(=O)COC(=O)CNC(=O)c1cccc(F)c1 103103751 KJATWFCFWURSLM-UHFFFAOYSA-N 553.395 4.949 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(Br)cc(Cl)c3O)c2=O)=N1 103827019 DGRBYXXRUYOSPF-YOURIZNBSA-N 621.937 4.717 0 40 KJAB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(I)cc5)c(=O)n42)c2ccccc2CC3)cc1OC 104658595 SQONVYMWRPYHGG-SUAMDDGLSA-N 606.485 4.941 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(C(=O)OC)c4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 105497389 NYZQSUWQBOWTHG-SUAMDDGLSA-N 623.083 4.516 0 40 KJAB COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@H]3C2=O)cc1 106018753 DBDWNCIYSTXCGQ-SSBOKUKZSA-N 550.567 4.974 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(F)cc1 111469976 NVGWAOYBUSPUMN-VFHYMGCCSA-N 593.474 4.846 0 40 KJAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([C@H]4SCC(=O)N4CCc4ccccc4)cc3)cc2)n1 139731085 PRGPHOCNJNLFQE-GDLZYMKVSA-N 587.727 4.963 0 40 KJAB O=C(NCc1ccc(CN2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 139885356 IHKLBBKWTCLVCM-QFIPXVFZSA-N 538.541 4.838 0 40 KJAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)Nc4ccc(C)c(C)c4)c3)cc2)n1 140053238 KOOGNWIUMLGATN-UHFFFAOYSA-N 579.704 4.873 0 40 KJAB COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)C[C@@H]2OC(=O)CCC(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1 150340721 XQFLSGUZSODAOB-OJDZSJEKSA-N 739.782 4.804 0 40 KJAB in-vitro Cc1cc(NC(=O)COC(=O)c2cc(S(=O)(=O)N(C)c3c(C)n(C)n(-c4ccccc4)c3=O)ccc2Cl)ccc1Br 150511888 DHQDPUFURWPARY-UHFFFAOYSA-N 661.962 4.829 0 40 KJAB COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)/C=C/c2cc(Br)ccc2OC)c1 199417212 GRPGJZCWSNQWED-UKTHLTGXSA-N 578.463 4.859 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OCC)cc2)c(Cl)c1 215956902 IFXOTUMPKLGLBQ-UHFFFAOYSA-N 534.993 4.889 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Br)cc1 222477827 HLSHLOQKVUBGDL-QHCPKHFHSA-N 515.835 4.867 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 222532435 JXJWDBSQVVCSHA-HKBQPEDESA-N 637.799 4.567 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 222576458 QVGPMQSROUXMMN-MHZLTWQESA-N 572.127 4.876 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 222847624 PVTRLPHVQYROHK-YTTGMZPUSA-N 599.753 4.893 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 223217385 BPMOJHRZYVNTGD-XMMPIXPASA-N 566.482 4.881 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 223355360 FXWIOTCNXAVINZ-QFIPXVFZSA-N 540.101 4.747 0 40 KJAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 223373336 NMPRCFTVMKDUMM-NDEPHWFRSA-N 556.128 4.788 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223380683 FRNDXFYMISUJKL-FQEVSTJZSA-N 502.677 4.730 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 223423093 JFZXPCCMDKANMY-NRFANRHFSA-N 580.044 4.986 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)NCc2ccccn2)c2ccccc2)cc1 223451353 DFKLHHTUWSZXPA-WJOKGBTCSA-N 588.705 4.538 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 223591573 BAIXMLUUJQSRRF-DEOSSOPVSA-N 536.138 4.918 0 40 KJAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 223622462 OETNQDCJRYFLBQ-GOSISDBHSA-N 503.020 4.738 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223726901 YNBKDKDBBOBYIT-MUUNZHRXSA-N 595.762 4.931 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 223740394 QXBYZAUHFOJANL-YTTGMZPUSA-N 599.753 4.975 0 40 KJAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 224057510 BJXSZBMVWVSEQL-PMERELPUSA-N 579.763 4.798 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)c2ccccc2F)cc1 224120016 DQPDUZJCSBZUTQ-DEOSSOPVSA-N 553.700 4.827 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 224186103 RFIYHMHQTUUNIG-AREMUKBSSA-N 542.101 4.787 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 224216978 JBHOFGJWUGPYQT-DEOSSOPVSA-N 554.540 4.934 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 224284004 HUOHYZNAXKJJAN-QHCPKHFHSA-N 569.699 4.609 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 224362981 PDWOGSUQVBBAJL-GDLZYMKVSA-N 567.727 4.847 0 40 KJAB 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3391127 CFCZZMNRCJGCCJ-UHFFFAOYSA-N 561.611 4.641 0 40 KJAB CSc1cccc(NC(=O)O[C@@H]2CC[C@@]3(C)[C@H](CC(=O)N4CCCC4)[C@H](O)CC[C@@H]3[C@]2(C)CO)c1 4236762 RBUKHWYETQSWGC-PIKPVMJISA-N 504.693 4.524 0 40 KJAB biogenic,in-vitro Cc1ccc(C)c(N2CCN([C@@H](c3cc4cccc(C)c4[nH]c3=O)c3nnnn3Cc3ccc(F)cc3)CC2)c1 6195772 LCZPUCFSCDXYRN-LJAQVGFWSA-N 537.643 4.539 0 40 KJAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)c(OC)cc3OC)c2)cc1 8694155 LOIPDGFJRKDXSJ-OAHLLOKOSA-N 533.986 4.595 0 40 KJAB aggregator CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c(NC(=O)Cc3cccs3)scc12 9381638 FKFSGTHGBGTFDV-UHFFFAOYSA-N 507.515 4.885 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(OCC)cc2)cc1 12713974 JDOYKTDEEGOWNS-NDEPHWFRSA-N 529.641 4.918 0 40 KJAB CCC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 13499383 ISDAOSNIPIAPJJ-HSZRJFAPSA-N 520.609 4.724 0 40 KJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3nc4ccc(C)cc4s3)CC2)cc1 16689913 OXHBFZSAAQFTOB-UHFFFAOYSA-N 520.680 4.782 0 40 KJAB COc1ccc([C@H](C)NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 20012441 CBJINASMQZWKRF-IBGZPJMESA-N 517.047 4.734 0 40 KJAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 20017564 YOXNMHDZBDKOBX-CYBMUJFWSA-N 508.921 4.936 0 40 KJAB CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCN(c2cc(C)ccc2C)CC1 20079749 RSJXAXCCVIATMV-HHHXNRCGSA-N 513.690 4.805 0 40 KJAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N(Cc1cccs1)C[C@@H]1CCCO1 20083903 RGEKHMMKELFWCU-GBXCKJPGSA-N 522.675 4.500 0 40 KJAB Cc1ccc(SCCNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 20233816 LZVRRRYJCWFZGY-UHFFFAOYSA-N 519.486 4.861 0 40 KJAB Cc1nccn1-c1ccc(CNC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1 20489119 XLPKAEINAKZYGX-UHFFFAOYSA-N 532.710 4.731 0 40 KJAB CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)c2ccc(C)cc2)cc1 22509176 WLFXMJAUOSJJDT-UHFFFAOYSA-N 509.653 4.678 0 40 KJAB COc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCN(c3ccc(F)cc3)CC2)c1 22852484 AAXIPOPUGYPUJF-QFIPXVFZSA-N 505.575 4.816 0 40 KJAB O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccccc2)[C@H]2CSCN2[C@]12C(=O)Nc1ccc(Cl)cc12 43730011 HMWBKBVMLDNKON-WFRMBSLRSA-N 504.995 4.888 0 40 KJAB COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 97946363 HZMBSDRTASCDCK-RBRLEXCSSA-N 600.693 4.535 0 40 KJAB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Br)ccc5O)c(=O)n42)c2ccccc2CC3)c1 97962532 LXFJBMSVNYCNNA-KMBIYUNPSA-N 545.458 4.795 0 40 KJAB COc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccc(Cl)cc2)Cc2ccco2)cc1 98048194 ONACQWOZPCVFKH-UHFFFAOYSA-N 527.002 4.594 0 40 KJAB COc1ccc(NC(=O)[C@]23C(=O)Oc4ccccc4[C@@H]2[C@]3(C)C(=O)c2ccc(Br)cc2)cc1 100148947 YPPOPCODFZWNJF-QGDZQMKYSA-N 506.352 4.988 0 40 KJAB O=C1[C@@H]2C(c3ccc(Br)cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1ccc(Br)cc1 101070625 BKUHJRPGJCPZEQ-TZIWHRDSSA-N 525.200 4.994 0 40 KJAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1)c1ccc(OCc2ccccc2)cc1 102139406 HFALMJXTOYRLED-CTKUEYQLSA-N 533.580 4.863 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccc(N3CCCC3=O)cc2)cc1 102959373 SMPGBRXNDGKQSZ-SANMLTNESA-N 570.671 4.521 0 40 KJAB CCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 104085191 IMIPHFAQUJZQIE-UHFFFAOYSA-N 573.140 4.685 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3cccc4[nH]ccc34)c(=O)cc1[C@@H](NC(C)=O)CC2 108451500 UAGKKGNOEFXODF-GKVSMKOHSA-N 570.646 4.783 0 40 KJAB biogenic COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cccc(C(=O)O)c5)o4)c(=O)n32)c1 111468438 RUIOKRGBUUGZEP-HDFSHUSISA-N 591.645 4.841 0 40 KJAB COc1ccc(/C=C2/N=C(SCC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)N(c3ccccc3)C2=O)c(OC)c1 215755936 RKNODEJTRYPWQN-TURZUDJPSA-N 584.698 4.732 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 222717214 HBXWGFIOVIVGQY-XMMPIXPASA-N 674.388 4.750 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 222960392 ZVGGMJHKGXGMFE-HSZRJFAPSA-N 539.673 4.663 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223286760 JWNUZSKKVKOORP-QFIPXVFZSA-N 541.636 4.502 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 223380421 JAHRHRWDTDTMFY-AREMUKBSSA-N 576.546 4.844 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 223647734 HTEPZSPWZODLIT-SANMLTNESA-N 515.720 4.573 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 223688019 ABKXUGGPXQHDQG-IBGZPJMESA-N 548.492 4.742 0 40 KJAB CCOc1ccccc1N(CC(=O)NCCOc1cccc(C)c1C)S(=O)(=O)c1ccc(SC)cc1 223920436 NQBASLWPIBTQDD-UHFFFAOYSA-N 528.696 4.815 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224013080 GXNVMGJCHCYSEJ-NDEPHWFRSA-N 627.735 4.525 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C)c(Cl)c2)c2ccc(C)c(C)c2)cc1 224126603 INEWJJBQWPMPMP-UHFFFAOYSA-N 501.048 4.964 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 224148241 XNFNMLJSVZAANA-VWLOTQADSA-N 565.736 4.779 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 224614459 ZGMIKWLOVINAJE-JOCHJYFZSA-N 542.529 4.647 0 40 KJAB Cc1cc(N(Cc2ccc(C(=O)NCCOc3ccccc3C)cc2)S(C)(=O)=O)ccc1Br 224789806 JLZDJADZDVWSQO-UHFFFAOYSA-N 531.472 4.841 0 40 KJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 225047065 PIUPEDCRQWOSTL-QHCPKHFHSA-N 556.128 4.830 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 225075389 FASXLFDAKYCYIH-AREMUKBSSA-N 586.552 4.978 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 225146511 NFTLVCWUVDWJSZ-HZPDHXFCSA-N 548.920 4.745 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 225187947 YAJZRGJJISSVMR-GOSISDBHSA-N 676.415 4.686 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 225189984 VIBOIBABJGHYCF-HZPDHXFCSA-N 548.920 4.745 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 225236817 RDSVHRANZFZPKB-XMMPIXPASA-N 530.090 4.593 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 225237171 ZMQNFQMYTDXVFO-OAQYLSRUSA-N 548.920 4.746 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2cccnc2)cc1Cl 225238158 IZKCGXDXUMKXIU-IZZNHLLZSA-N 533.057 4.742 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225375977 DPYDSAMMHCOUMS-GDLZYMKVSA-N 641.787 4.640 0 40 KJAB CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)cc1 225403601 UWVPMKGPUYCUGN-BJKOFHAPSA-N 507.616 4.560 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 225478341 AFVJLKDBQJIOLY-LJQANCHMSA-N 622.969 4.778 0 40 KJAB CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC)c(Br)c1 225515240 UCCHNGUJDSWLID-DEOSSOPVSA-N 509.444 4.776 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 225645911 CSRDTVOGZVRJJF-SFHVURJKSA-N 542.529 4.825 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 225664843 FPBDHJFJVBEEEG-INIZCTEOSA-N 582.472 4.968 0 40 KJAB O=C1NC(=O)[C@H]2[C@@H](c3cn(Cc4ccccc4)c4ccccc34)c3sc(=O)n(Cc4ccccc4)c3S[C@@H]12 226472114 WETYFSUGUCZMBB-DSNGMDLFSA-N 537.666 4.840 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1Br 248181185 DQXLVHWFZWGCJO-QYOOZWMWSA-N 573.399 4.585 0 40 KJAB CC(C)Oc1cccc(N[C@H]2CC[C@@H](C(=O)N(CC(=O)O)Cc3ccc4c(c3)CC(C)(C)O4)CC[C@@H]2O)c1 257293339 QPBQOICIIDZIOH-NYMACZPPSA-N 524.658 4.632 0 40 KJAB Cc1ccccc1N(CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 260782370 KVMDWLAUTPBGOT-HXUWFJFHSA-N 522.111 4.527 0 40 KJAB O=C(NCc1ccccc1)[C@H]1CN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 260828216 MWKIWOKXLNDENA-SSEXGKCCSA-N 604.128 4.684 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 260997349 DPNKVQJFGPNOPG-HRFSGMKKSA-N 592.108 4.939 0 40 KJAB Cc1ccc(-n2c(SCC(=O)Nc3nnc(C)s3)nnc2-c2cc(Br)ccc2O)c(C)c1 408544984 KSUJULMZQBCMCI-UHFFFAOYSA-N 531.461 4.910 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c2ccc(Cl)cc2)cc1OC 408546572 UNDQSLRBMDUNET-UHFFFAOYSA-N 578.518 4.863 0 40 KJAB O=C1CN(C(=O)CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c2ccccc2N1 408574697 KBRPERJZQSZHSF-UHFFFAOYSA-N 513.575 4.660 0 40 KJAB COc1cc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)c(OC)cc1Cl 408597060 WCDCDTSRPGLGAS-UHFFFAOYSA-N 555.834 4.938 0 40 KJAB COc1cccc(NC(=O)CCN2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408650630 GACODDLVUGCVMN-SIQOOTDXSA-N 521.400 4.617 0 40 KJAB CCOc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)c5ccc(Br)cc5C4=O)c(C)c3)CC2=O)cc1 408656176 HJQJQSXMIJCVAL-QGZVFWFLSA-N 563.404 4.915 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cc(C)c(Br)c(C)c2)cc1 408664738 JUVCWCCIVICSBX-UHFFFAOYSA-N 519.392 4.533 0 40 KJAB CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3CC)CC2=O)cc1 408670102 WQMGPXSMDHFAAW-IBGZPJMESA-N 545.430 4.503 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)cc1 408712352 QAWMTIBALMVSAC-GOSISDBHSA-N 536.075 4.551 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)C)c(OCC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408767267 FJJHXLCDHACOCM-QHZSLAKNSA-N 645.572 4.764 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)c2=O)=N1 408882318 NJIPMOZUWXTWDH-KFOJKGMOSA-N 672.756 4.882 0 40 KJAB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 408902892 NBUWPWKPZRBTQQ-XKZIYDEJSA-N 523.973 4.666 0 40 KJAB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(Cl)cc(Cl)c4O)c(=O)n32)cc1 408919599 BHINVMUQTDPXIE-BYHQVZLYSA-N 549.501 4.921 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 409005640 FYRQKPCIPJBQAW-NTNOMAAHSA-N 655.773 4.922 0 40 KJAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)c(Br)c2)C1=O 409011763 HNCIIENRWQTLNE-OTGIAGGSSA-N 534.384 4.714 0 40 KJAB CCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 409023298 XBFNRDTXURVFKO-IVNHJSRESA-N 515.660 4.724 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC 409096713 LTQFMXPKHKUUGF-RQZCQDPDSA-N 523.767 4.540 0 40 KJAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1 409099573 ONFVLYNHRFYZNH-LPYMAVHISA-N 505.958 4.767 0 40 KJAB COc1cc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC(=O)c1cccc(C)c1 409190191 MJPHTDJLEOOWND-NDENLUEZSA-N 503.507 4.593 0 40 KJAB COc1c(I)cc(I)cc1/C=C1/SC(=O)N(CC(=O)c2ccccc2)C1=O 409220419 ZAWPJFFSHXZFFY-LZYBPNLTSA-N 605.191 4.824 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4C)c(Br)c3)C2=O)o1 409397981 APPDPUYGIKWKEA-JAIQZWGSSA-N 602.825 4.901 0 40 KJAB COC(=O)C[C@@H](c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O)c1ccnc2ccccc12 524730285 DGAOYARMUULRJP-ACSYHNTCSA-N 514.534 4.572 0 40 KJAB biogenic CC(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)CCc2c(C)nn(C)c2C)Cc2cc(Cl)ccc21 643554377 QWIYWOSAHIKCCA-UHFFFAOYSA-N 536.120 4.911 0 40 KJAB COC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCCC2 982888 JVNFWMYKQGAAON-UHFFFAOYSA-N 528.652 4.565 0 40 KJAB CC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O 1375210 ZJECKHOTFFBPMD-HSZRJFAPSA-N 502.619 4.769 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(SCC(=O)OC4CCCCC4)n3C)cc2)cc1 6088903 ZPXIUVJWKMOCOK-UHFFFAOYSA-N 500.646 4.559 0 40 KJAB Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)[nH]c12 6443774 BYCUFASJGZPKBC-RUZDIDTESA-N 537.590 4.869 0 40 KJAB COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2ccccc2N(C(=O)c2cccs2)C1(C)C 8426480 YTWUUDGFPLBPEJ-UHFFFAOYSA-N 659.785 4.979 0 40 KJAB O=C(Oc1ccc(N(C(=O)c2ccncc2)S(=O)(=O)c2ccccc2)c2ccccc12)c1ccncc1 8765728 MVIMILKSMACVGD-UHFFFAOYSA-N 509.543 4.885 0 40 KJAB 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ZFHGVGHWUPNUPW-UHFFFAOYSA-N 518.079 4.583 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3O)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408733868 BOUJAYVHNDALNM-VVOOWDFBSA-N 760.388 4.511 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(CC)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408769059 LKEJIXHGDNBRRM-WYLTYJJASA-N 610.530 4.553 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)cc3)c(=O)n2[C@@H]1c1cccs1 408770155 UCONALDPMWNPTA-LWUPDDLQSA-N 534.634 4.578 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C)cc4)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 408834230 LEPSNOXUSJTKLO-PQRKSKNISA-N 538.669 4.994 0 40 KJAB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Br)c(I)o4)c(=O)n32)c1 408863453 RXCKJIMDXRWWQY-IMEWXKHHSA-N 676.330 4.843 0 40 KJAB CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC 408930917 DTHNPXIATWHIND-WQRHYEAKSA-N 505.390 4.840 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)Nc4cccc(C)c4)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 409008122 UFJHBTWBZTYITN-POKSHJSXSA-N 611.720 4.523 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)c2cccc(C(F)(F)F)c2)cc1 409029306 YTCWIWGZMXWKGZ-UHFFFAOYSA-N 506.502 4.619 0 40 KJAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(Cl)c(O[C@@H](C)CC)c(OC)c3)c2=O)=N1 409036959 MNPKUVXRCLGSNM-MCBDKKBHSA-N 541.069 4.638 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(OCC(=O)OCC)c(OCC)c3)c2=O)=N1 409038932 FZILBPHCZYIZSX-NAIWQIQESA-N 687.609 4.690 0 40 KJAB CCOc1c(I)cc(I)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2N2CCOCC2)C1=O 409206162 MPOAZRLAGGDCKS-UDWIEESQSA-N 719.339 4.806 0 40 KJAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(O[C@H](C)CC)c(OC)c2)C1=O 409227810 RGNZIJBEKCIXAU-RVZJCZPVSA-N 577.419 4.571 0 40 KJAB Cc1cc(Br)c(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3C)n2C)cc1C 409355972 FTPIIVBGWXBSMJ-INIZCTEOSA-N 516.465 4.725 0 40 KJAB COC(=O)c1cc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1Cl 409408735 DLLWKIXWZUYSFR-UHFFFAOYSA-N 553.420 4.631 0 40 KJAB COc1ccc2cc([C@H]3C4=C(CN(C(C)=O)C4=O)Nc4cccc5c4c3cn5CCC(C)C)c(=O)n(C)c2c1 524729038 AHHLZGCILJSPBN-HHHXNRCGSA-N 524.621 4.748 0 40 KJAB biogenic COc1cc(CNC(=O)c2ccc3c(c2)CN(C(C)C)CCCCCCCN3C(C)=O)cc2c1OCO2 643577066 COZDWFHNKQSWEZ-UHFFFAOYSA-N 509.647 4.881 0 40 KJAB COC(=O)c1ccc(NC(=O)CC[C@@H](C)[C@H]2CC[C@@H]3[C@H]4[C@H](O)C[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4C[C@H](O)[C@@]32C)cc1 1889191867 BMJUCCRDGCHIRL-GETSQATNSA-N 541.729 4.789 0 40 KJAB COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1OC 902407 FQLQTVZJQTZRSB-LJAQVGFWSA-N 545.615 4.811 0 40 KJAB COc1cc(OC)cc(N(C(=O)[C@H]2COc3ccccc3O2)[C@H](C(=O)NC2CCCCC2)c2ccco2)c1 931028 QTDKTTZPTRVXNC-SXOMAYOGSA-N 520.582 4.660 0 40 KJAB COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2)c(OC)c1 1372619 URMUYVHIMIPNIQ-WJOKGBTCSA-N 549.631 4.848 0 40 KJAB COc1ccc(-n2c(=O)c3c4c(sc3n3c(S[C@@H](C)C(=O)NCc5ccccc5)nnc23)CO[C@@H](C(C)C)C4)cc1 1775171 CAOHITLBQKSZKF-FDDCHVKYSA-N 589.743 4.998 0 40 KJAB Cc1ccc(S(=O)(=O)NCCC(=O)Oc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)cc1 2094244 OMSVSRWHSWFCDB-UHFFFAOYSA-N 505.592 4.583 0 40 KJAB biogenic COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC4=CCCCC4)CC(=O)N32)cc(OC)c1OC 2107470 QAEAXJAUGXIZEM-OUTSHDOLSA-N 529.637 4.769 0 40 KJAB biogenic O=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1Br)c1cccc2nsnc12 2211316 DCFXDFBOAIXABV-UHFFFAOYSA-N 513.402 4.941 0 40 KJAB CCN(C(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1)c1cccc(C)c1 2976307 DDIKCZAOSAVFCA-UHFFFAOYSA-N 542.705 4.929 0 40 KJAB COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCN(c5ccccc5)CC4)c3N2)cc1OC 3012466 XALFSYQIWXEHNY-REWPJTCUSA-N 515.536 4.523 0 40 KJAB Cc1nn(-c2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)OC(c1cccc(S(=O)(=O)N3CCOCC3)c1)=N2 3199363 FBEXKRPOBDHNCR-UHFFFAOYSA-N 574.503 4.630 0 40 KJAB Cc1c(NC(=O)[C@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO2)c(=O)n(-c2ccccc2)n1C 3272624 XCGPMADOSCIOMU-AVRDEDQJSA-N 553.088 4.695 0 40 KJAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H](c1ccc2c(c1)OCO2)N(Cc1ccccc1F)C(=O)Cn1nnc2ccccc21 8694413 VYHOCOOPCXXUQT-MGBGTMOVSA-N 622.657 4.545 0 40 KJAB CCOC(=O)[C@H](C)Sc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1cccc(Cl)c1 9390947 VELCYIUKRZSPJX-SBNSQYLKSA-N 503.068 4.797 0 40 KJAB CCCCn1c(S[C@H](CC)C(=O)Nc2ccccc2OC)nc2ccc(N3CCOCC3)cc2c1=O 9473764 RSDAPNVHLJICRT-XMMPIXPASA-N 510.660 4.551 0 40 KJAB Cc1ccc2c(c1)N(C(=O)CSc1nc(-c3ccccc3)[nH]c1S(=O)(=O)c1ccccc1)CCO2 12112494 SVFZCFXXFRYEOA-UHFFFAOYSA-N 505.621 4.736 0 40 KJAB CCOc1ccc([C@@H](C(=O)NCc2ccccc2)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)cc1 13028417 IQXXNUBTWYZVRS-LJAQVGFWSA-N 523.593 4.510 0 40 KJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 13676724 GNGODXIYFXPCJY-MRXNPFEDSA-N 526.486 4.702 0 40 KJAB CC[C@H](c1nnc(SCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)n1Cc1ccccc1)N(C)C 14139261 XTOVEBYBWQFOBU-HSZRJFAPSA-N 508.692 4.552 0 40 KJAB Cc1ccc(C)c(N2CCN([C@@H](c3cc4cc(C)c(C)cc4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)c1 20079893 UPAWVNMLGDFCQL-PMERELPUSA-N 533.680 4.708 0 40 KJAB COc1ccc(CCNc2nc3sc4c(c3c(=O)n2-c2cccc(Cl)c2)CCN(C)C4)cc1OC 20437969 KWHSRONBPRMLGS-UHFFFAOYSA-N 511.047 4.760 0 40 KJAB COc1cc(CN(C(=S)NC(=O)c2ccc3ccccc3c2)C2CCCCC2)ccc1OCC(N)=O 22829848 QRMDHSZMUGCHRW-UHFFFAOYSA-N 505.640 4.562 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccc(Cl)cc2C)cc1 60028823 YBVLWJNTNWRDLN-UHFFFAOYSA-N 585.107 4.987 0 40 KJAB COc1cc([C@@H](c2c(O)c3ccccc3oc2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)cc(Br)c1O 97986397 WIMYUVYAFIFDDJ-HSZRJFAPSA-N 563.404 4.953 0 40 KJAB O=C1C[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)c2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 100088371 MWDKVVFSWBRHHH-FQEVSTJZSA-N 541.785 4.806 0 40 KJAB Cc1cc(Br)c(Cl)cc1NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1C[C@@H]2C[C@@H]1c1ccccc1 100397269 GHMLOAUJNIAWRA-UWQYNENASA-N 501.808 4.774 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(C(=O)O)cc5)o4)c(=O)n32)cc1 101494546 PBCHHQKOLMNRHV-NNAGEYCMSA-N 591.645 4.841 0 40 KJAB COc1cc(/C=C2/NC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 102912778 XCXDNYMODHOAKI-OEAKJJBVSA-N 501.608 4.900 0 40 KJAB COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)/C(=C\Nc3ccc4c(c3)OCO4)c3ccccc3C2=O)c1 103005452 PMABLQZJMNKAOW-ULJHMMPZSA-N 569.595 4.865 0 40 KJAB CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C 107919304 CUBIKZDAOWWBEX-OAQYLSRUSA-N 502.040 4.818 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C(C)(C)C)cc3)S(C)(=O)=O)cc2)cc1C 113621418 QHBVNKYGMBNYMH-UHFFFAOYSA-N 543.711 4.806 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 215900484 GPHXFFPATCWXHR-UHFFFAOYSA-N 598.530 4.621 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 222562541 UJCZFWRITKPRJT-NDEPHWFRSA-N 570.155 4.827 0 40 KJAB CCOC(=O)C1(c2ccc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3C)cc2)CC1 222805260 QSHDNKOBXAXPER-UHFFFAOYSA-N 526.586 4.547 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 222862077 VENQXDCGWXQOAY-LJAQVGFWSA-N 581.735 4.540 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222893794 WRLBCQBVNGNRFK-HHHXNRCGSA-N 648.609 4.943 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 222968604 AXGTZHOZRJCWCO-QHCPKHFHSA-N 539.673 4.663 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223001919 OCKVPIOXZJBJDB-DEOSSOPVSA-N 551.709 4.533 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2Cl)[C@@H](CC)C(=O)NC)c2ccc(C)cc2)cc1 223126848 SIHBQGYYIWRFAG-MHZLTWQESA-N 572.127 4.796 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 223395925 NNFCKDUGTOXNJJ-QDPGVEIFSA-N 661.606 4.920 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 223521273 VGECXIAPNDDGMO-QHCPKHFHSA-N 570.539 4.684 0 40 KJAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 223526375 DGHUGBZMMAZECA-AREMUKBSSA-N 579.763 4.965 0 40 KJAB 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517.503 4.633 0 40 KJAB CC(C)c1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 6190842 CEDPBIHYECSHKI-HSZRJFAPSA-N 523.634 4.534 0 40 KJAB Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc3ncccc3c2)c1 6193947 WXZXVZXESGOWOW-AREMUKBSSA-N 556.692 4.826 0 40 KJAB O=c1[nH]c2cc3c(cc2cc1CN(CCc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1)OCO3 6446408 LRZSOXZRIVTXSQ-UHFFFAOYSA-N 530.524 4.709 0 40 KJAB CCOc1ccc(-n2c(CNC(=O)c3ccccc3OC)nnc2SCC(=O)Nc2cccc(C)c2)cc1 11852476 VKMUSWGBQJZBOO-UHFFFAOYSA-N 531.638 4.644 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 13495267 QPZPHJNEQDZWSE-VWLOTQADSA-N 530.629 4.911 0 40 KJAB CCC[C@H](c1nnnn1CCc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 13499413 UBVSTNFACFUGHC-AREMUKBSSA-N 528.657 4.815 0 40 KJAB CCC[C@H](c1nnnn1Cc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 13500203 KXUGFPMTDTVUHT-RUZDIDTESA-N 514.630 4.968 0 40 KJAB O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20488555 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CCOc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 222532153 LJEFGZVHWOEYCU-HKBQPEDESA-N 621.800 4.949 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 222613579 RMEIALYBFKWEMS-SQJMNOBHSA-N 536.138 4.651 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)NC(C)C)c2ccc(C)cc2)cc1 222921527 XJLYHJCTVMCSPO-PMERELPUSA-N 579.763 4.964 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223153327 BCKODWRBOCPLLQ-HHHXNRCGSA-N 595.762 4.930 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 223231059 ASMNOUSALXQGDA-IBGZPJMESA-N 542.529 4.873 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](Cc2ccccc2)C(=O)NCCc2ccccc2)cc1 223234699 PVNSGACHHOHEAV-UUWRZZSWSA-N 627.807 4.925 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 223354146 HWZIUHIPFRVEHG-HSZRJFAPSA-N 536.138 4.917 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 223445723 DFOHDGNRLFSZEB-FREGXXQWSA-N 563.764 4.933 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 223511458 OPQDTRFKOAMUQY-LJQANCHMSA-N 548.492 4.742 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 223738502 KTOYNRBTXYDLRD-INIZCTEOSA-N 560.931 4.889 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 223824713 FBRASBNOGOVACX-NRFANRHFSA-N 564.148 4.761 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 223893086 XRBKTERJBGGRQJ-JOCHJYFZSA-N 562.947 4.991 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223945535 JBIDDNVYLXLHDE-SFHVURJKSA-N 626.534 4.898 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1OC 224127292 QUWDYJZXAUJAQX-QHCPKHFHSA-N 599.725 4.536 0 40 KJAB 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CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(C)cc1)[C@H](CC)C(=O)NC(C)(C)C)S(C)(=O)=O 260769666 HSSQRTFMYRGATR-XMMPIXPASA-N 545.746 4.662 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC)S(=O)(=O)c1ccc(SC)cc1 260858300 NECQABUYFMADCE-HXUWFJFHSA-N 590.167 4.819 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 260966625 IBMNQQZWAOFAMR-SSEXGKCCSA-N 561.748 4.768 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 260999044 RGJNLZXQDCJNAO-JPYJTQIMSA-N 542.529 4.790 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 261053429 MMDYOMXCZJIBHH-DWACAAAGSA-N 660.631 4.787 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)N[C@H](C)CC)c2ccccc2)cc1 261062799 OCQBHQQWZZPLDE-PKTZIBPZSA-N 569.699 4.752 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)(C)C)c2ccccc2OC)cc1 261089067 SSBWQTRIZJBUHI-OAQYLSRUSA-N 646.604 4.994 0 40 KJAB Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)Nc2ccc(I)cc2)o1 408637443 KPTJCNUPPSBZLN-UHFFFAOYSA-N 515.760 4.946 0 40 KJAB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 408640103 HHMUQRMNUGUAEP-NRPVSAOASA-N 523.416 4.984 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3OC)c(=O)n2[C@@H]1c1ccccc1Cl 408822280 AXCJAHSWDJIYQA-JZVSFUAJSA-N 582.303 4.876 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 408863825 RENBMBONUFZNMW-MQCBVOCZSA-N 660.704 4.942 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(OC)c(OC)c4)c(=O)n32)cc1 408944133 ILONRCUKXUKAJP-DBXPASCUSA-N 681.552 4.894 0 40 KJAB COc1ccc(OC)c(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 409005690 JRKIHNPMGPEUAQ-UHFFFAOYSA-N 509.411 4.840 0 40 KJAB COc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409009765 BTXUGSBLYHHGDI-SRZZPIQSSA-N 510.905 4.858 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccc(OCC(=O)O)c(Br)c3)c2=O)=N1 409023846 KFXMDTWPOPKQJJ-LMVGNEGFSA-N 627.557 4.928 0 40 KJAB CCN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)C1=O 409066680 CERLUHSSSKMAIM-WOJGMQOQSA-N 552.390 4.682 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(Br)c(Sc5ncccn5)o4)c(=O)n32)cc1 409100842 WWAGRFULGIMAEF-LJJBLSSYSA-N 641.569 4.882 0 40 KJAB Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1 409146739 TVGWXHFMEPPJBI-IMRQLAEWSA-N 586.670 4.524 0 40 KJAB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)NC4CCCC4)c4ccccc34)N(C)C2=S)cc1 409147914 WNLYNBHLXVTFAL-XYGWBWBKSA-N 502.640 4.703 0 40 KJAB CCOc1ccc(NC(=O)COc2c(Br)cc(C(=S)N3C[C@H](C)O[C@H](C)C3)cc2OC)cc1 409268165 QVDSVFMXWPYNCR-IYBDPMFKSA-N 537.476 4.659 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCC(C)CC4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 409273810 LMHKXMCCRUKHOO-OWIVCOMISA-N 583.710 4.774 0 40 KJAB CCOc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(Cl)c(Cl)c3)n2C)cc1 409357724 JYFKFVKWJVMHHB-ZDUSSCGKSA-N 508.431 4.742 0 40 KJAB Cc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)O 409379421 XGVCMJAWGAQOEO-SFTDATJTSA-N 516.333 4.776 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1 409410540 NSODXLGEEVUERF-UHFFFAOYSA-N 625.725 4.981 0 40 KJAB CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O 504082879 QVJKVBFRYVEWGO-UHFFFAOYSA-N 547.660 4.613 0 40 KJAB COc1cc([C@@H](CC(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)c2oc(C)cc(=O)c2O)ccc1O 524731479 ZMMALYMQVLSYSR-NQIIRXRSSA-N 505.571 4.670 0 40 KJAB biogenic CCCCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)C3CCC(F)(F)CC3)CCO2)C1=O 643556435 MHYWFWRECYZZGP-HHHXNRCGSA-N 506.634 4.844 0 40 KJAB CCn1cc(CN2CCC3(CCCn4cc(nn4)COc4ccccc4CNC3=O)CC2)c2cc(OC)ccc21 643568928 SIYNTORZUQIKMW-UHFFFAOYSA-N 542.684 4.533 0 40 KJAB CC(C)CN1C(=O)C2(CCN(C(=O)c3cc(-c4cccc(F)c4)no3)CC2)C[C@@H](O)[C@@H]1c1ccccc1 2037873466 MKTUJEGCWCKZNC-RSXGOPAZSA-N 505.590 4.694 0 40 KJAB CC(=O)N1CCCCCCCN(C2CCOCC2)Cc2cc(C(=O)N(CCc3ccccc3)CC(=O)O)ccc21 2037940766 HNBRFLXDORYGGM-UHFFFAOYSA-N 549.712 4.754 0 40 KJAB COc1cc2cc(CN(Cc3ccc(F)cc3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2cc1OC 918835 IXFNBJXDGQTOHF-UHFFFAOYSA-N 516.978 4.729 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2cnccn2)c2ccc(C(C)=O)cc2)cc1 921383 CIDMMLSEKBNING-MHZLTWQESA-N 500.599 4.915 0 40 KJAB C[C@@H](Cc1ccccc1)NC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)COC(C)(C)C4 1294390 KFZWVHDKHWKPLL-SFHVURJKSA-N 559.717 4.786 0 40 KJAB COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(OC)c1 2049385 SLFCFBXWEOMFQZ-LMSRTUJASA-N 546.048 4.545 0 40 KJAB CCN(CC)C(=O)CN1C(=O)[C@]2(Nc3ccccc3C(=O)N2c2ccccc2)c2cc(Br)ccc21 2191693 KIEWYSZCLGDGFN-MHZLTWQESA-N 533.426 4.589 0 40 KJAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 2644623 YPWHDQASLDYDGS-VWLOTQADSA-N 526.618 4.982 0 40 KJAB COc1cccc(NC(=O)[C@H](OC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)c2ccccc2)c1 3252655 LUWLAXGYTHOZFL-GDLZYMKVSA-N 556.640 4.979 0 40 KJAB C[C@H](Oc1ccccc1F)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1 3640194 PSVVJWUFKPJCLW-KRWDZBQOSA-N 503.621 4.920 0 40 KJAB CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)sc2c1CCCC2 6144279 UTOYBABEONHABT-HNNXBMFYSA-N 562.691 4.850 0 40 KJAB Cc1c(CC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 8877231 LKEJRRSJNAILAJ-CTNGQTDRSA-N 506.558 4.865 0 40 KJAB biogenic COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)c3cc(OC)c(OC)c(OC)c3)s2)cc1 9062333 TVDSCUKXSMVGIA-UHFFFAOYSA-N 520.567 4.744 0 40 KJAB O=C(CSc1nnc(CNC(=O)c2cccc3ccccc23)n1-c1ccc(F)cc1)Nc1nccs1 9404207 CNHSXOJZPBWURS-UHFFFAOYSA-N 518.599 4.677 0 40 KJAB CCOC(=O)c1c(NC(=S)NC(=O)c2cccc(I)c2)sc2c1CCCC2 9892082 DCGAWQRACOBBGI-UHFFFAOYSA-N 514.410 4.535 0 40 KJAB C[C@]12C=C/C(=N\OCC(=O)NCc3ccc(C(=O)O)cc3)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 12859431 BFCOXYSQFYFQOO-WETLNCFZSA-N 506.643 4.863 0 40 KJAB COc1cc(OC)cc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2cc(C)ccc2C)c1 13029205 ZWYICLRQLDVRNA-NDEPHWFRSA-N 529.641 4.755 0 40 KJAB COc1cc(OC)cc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)c1 13029652 UIHJHCGDXHEGAF-GDLZYMKVSA-N 527.625 4.590 0 40 KJAB O=C(C[C@H]1C(=O)N(CCc2ccccc2)C(=S)N1Cc1ccco1)Nc1ccc(Br)cc1 13689209 ZGLVFEFZPSXCHS-NRFANRHFSA-N 512.429 4.611 0 40 KJAB C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1cccc(Br)c1 20024054 LOBMRWWTDXTMAT-GOSISDBHSA-N 501.446 4.738 0 40 KJAB CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccc(I)cc1 22257848 QCMWBIRZKXPOQJ-UHFFFAOYSA-N 511.747 4.811 0 40 KJAB O=C(c1ccc2c(=O)n(-c3ccc(F)cc3)c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 33077896 PEHQWKIPNBLRIQ-UHFFFAOYSA-N 509.990 4.943 0 40 KJAB C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)N1N=C(c3ccc4ccccc4c3)C[C@H]1c1ccccc1)CS2 34851948 BBJIQLMAUFEMPQ-QEMZJVQQSA-N 513.619 4.515 0 40 KJAB Cc1ccccc1NC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)Nc2ccccc2C)[C@@H]1c1ccc(N(C)C)cc1 41006493 ZZEMXGOHGZVIBD-WIXZECKYSA-N 513.638 4.687 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)Cc2ccccc2)cc1Cl 59836688 LDNYBVURXJFTFW-LJQANCHMSA-N 547.073 4.824 0 40 KJAB O=C(Oc1c(I)cc(I)cc1I)c1cccs1 96022803 OODILJJQWLUILM-UHFFFAOYSA-N 581.938 4.781 0 40 KJAB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(Cc4ccc(OC)cc4)nn3c2=O)c(C)c1 97946738 ISEGQOMEOYVGSR-CEUNXORHSA-N 591.693 4.608 0 40 KJAB CC1(C)Cc2c(sc3c2c2nc(-c4ccncc4)nn2c(=O)n3CC(=O)c2ccc(Br)cc2)CO1 100159025 KWTHOMPCRRWWEI-UHFFFAOYSA-N 550.438 4.664 0 40 KJAB COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)o2)cc1OC 100292588 QELJIJSZPCVGKH-SSEXGKCCSA-N 559.667 4.611 0 40 KJAB COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 100361746 PKFLAOGEVCPAFF-UHFFFAOYSA-N 567.509 4.855 0 40 KJAB CC(=O)Oc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N32)cc1 100993743 LXRAGQXXDXMMOD-ASDGIDEWSA-N 512.949 4.538 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H]5Sc6[nH]c(=O)sc6[C@H](c6ccccc6C)[C@H]45)[C@@H]3C2=O)cc1 101175777 ZUAAIGRCZVCGJD-BZAAGZFKSA-N 546.670 4.599 0 40 KJAB O=C1C[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(OC(F)(F)F)cc1 101517676 VWXKOQMSGFDBGP-XMMPIXPASA-N 509.528 4.624 0 40 KJAB COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(Cl)cc4)CC(=O)N32)cc(OC)c1OC 102575840 JXIPAZKVTPCLBD-FIPFOOKPSA-N 546.023 4.732 0 40 KJAB CCOc1ccc(-n2c(SCC(=O)Nc3ccc(S(C)(=O)=O)cc3)nnc2-c2c[nH]c3ccccc23)cc1 102850608 FXPIVVYJSKUXAQ-UHFFFAOYSA-N 547.662 4.949 0 40 KJAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)ccc1C 102980401 LNHQFZXWMUIIOL-MHZLTWQESA-N 562.692 4.983 0 40 KJAB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4cc(Br)ccc4O)c(=O)n31)c1ccccc1CC2 104655026 UYXWEZPAPLUOIC-RISWYLRJSA-N 545.458 4.795 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(Br)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 105499287 ZUKQEGKFASJJEH-WLJFKGHSSA-N 543.508 4.591 0 40 KJAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2cccc(I)c2)cc1 112229110 PEYWYSZJWZYDTF-UHFFFAOYSA-N 545.402 4.584 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1F)c1ccccc1F 113509374 WQEGQMPPKRBRCN-UHFFFAOYSA-N 525.499 4.747 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)c2cccc(C(F)(F)F)c2)cc1 216012296 RABNVFHXNMEUHU-UHFFFAOYSA-N 531.556 4.975 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 222566200 QGHIHTGUROXBKJ-HKBQPEDESA-N 663.768 4.823 0 40 KJAB COC(=O)c1cn(C(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c2ccccc12 222579568 ZGUFRWLZRXBHNQ-UHFFFAOYSA-N 506.580 4.589 0 40 KJAB COc1ccccc1CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 222800381 HBEPDHMAQPPPDI-HSZRJFAPSA-N 598.165 4.799 0 40 KJAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 222851421 OKIXSUVMCBGXIE-QGZVFWFLSA-N 505.478 4.971 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 222963065 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CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223591081 CNZGCKSATOWBGW-NDEPHWFRSA-N 581.735 4.621 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 223687052 OMDVDLBVAFDKIR-QFIPXVFZSA-N 542.101 4.706 0 40 KJAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2Br)o1 223704563 RBHDQIRJMMYXBS-LEWJYISDSA-N 504.381 4.779 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 223973642 SKLQTQFWVQSSOP-IBGZPJMESA-N 578.518 4.751 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224082887 WETQRDWPZBCUQL-SFHVURJKSA-N 559.626 4.723 0 40 KJAB O=C(NCc1nc(-c2cccc(Br)c2)no1)/C(=C/c1cccs1)NC(=O)c1ccccc1 224105170 HTMWGZUBOFDVMK-UYRXBGFRSA-N 509.385 4.648 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 224137570 GBWWOIUGCHPQBD-LJAQVGFWSA-N 581.710 4.896 0 40 KJAB 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520.567 4.706 0 40 KJAB COc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC(=O)Nc2ccc(F)cc2)cc1 907088 FPNANAMKFIYFMZ-UHFFFAOYSA-N 510.620 4.845 0 40 KJAB C[C@H]1CCc2c(sc(NC(=O)CCCS(=O)(=O)c3nc(-c4cccs4)cc(C(F)(F)F)n3)c2C(N)=O)C1 3655113 CFLRTZGCRNOHBE-LBPRGKRZSA-N 572.656 4.702 0 40 KJAB CCCCNS(=O)(=O)c1ccc2c(c1)nc(SCc1cn3c(C)cc(C)nc3n1)n2CCCC 6135083 LKERRGCRRZUEFP-UHFFFAOYSA-N 500.694 4.867 0 40 KJAB CC1(C)O[C@H]2[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H](n3cnc4c(O)ncnc43)[C@@H]2O1 8618665 KCWRKFVKIDINBP-KHJGLVBMSA-N 550.615 4.958 0 40 KJAB CN(C)c1ccc(NC(=O)[C@H](c2ccc(F)cc2)N(Cc2ccccc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 8695774 NSGWBVQGXCPRBK-PMERELPUSA-N 564.617 4.830 0 40 KJAB COc1ccc(CN(C(=O)CN2C(=O)C(=O)c3ccccc32)[C@@H](C(=O)Nc2ccc(OC)cc2)[C@@H]2CC=CCC2)cc1 8712775 KHZOYVBHMJIPOT-WVXBCFDCSA-N 567.642 4.626 0 40 KJAB COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5cccnc5)nc4c32)cc1OC 9584180 IBFZGUFMWLFMGB-DEOSSOPVSA-N 517.549 4.984 0 40 KJAB 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CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@@H](NC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 229921140 DRALDEYSNGRUOW-RBURLQBGSA-N 586.800 4.546 0 40 KJAB O=C(CC1(COc2ccc(F)cc2)CCN(C(=O)C2(c3ccccc3F)CCCC2)CC1)N1CCOCC1 257214473 CMCVPTUVSDXEDH-UHFFFAOYSA-N 526.624 4.713 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)cc1 260744325 OGXDDXTYFZYWQN-JOCHJYFZSA-N 602.153 4.803 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](Cc2ccccc2)C(=O)NC)S(=O)(=O)c2ccccc2)cc1 260762598 QTIMCDIKTDBCGA-JGCGQSQUSA-N 599.753 4.839 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1Cl 260806475 RVBNBRXOPHOWBU-LJQANCHMSA-N 568.111 4.510 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 260902624 DYJBZZABAPURJX-GJZUVCINSA-N 569.699 4.752 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 260913775 FXSWHKOWHMSGDY-ZEQRLZLVSA-N 551.709 4.531 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1C 260947122 DYKWOJAXGUJHMA-MUUNZHRXSA-N 567.727 4.763 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 260957168 GMTQSWMMLOVSET-HHHXNRCGSA-N 570.155 4.969 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 260977237 NMSGAUCSVRXPNH-CVEARBPZSA-N 593.371 4.854 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 261043293 KYCZGQVYMCMOIV-RTWAWAEBSA-N 522.111 4.527 0 40 KJAB CCOC(=O)c1sc(NC(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)c(C(=O)OCC)c1C 408599818 LLOALXJUTSIJRG-UHFFFAOYSA-N 547.969 4.931 0 40 KJAB COc1ccccc1Oc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc(C(C)=O)c2)cc1 408645863 LVNQDWUSLRDUKJ-UHFFFAOYSA-N 504.539 4.981 0 40 KJAB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@H]4CC(=O)N(c5cccc(Cl)c5Cl)C4)c3)C(=O)[C@@H]2C1 408652028 DBOIYDDNGBPIIH-LVFSCSRESA-N 515.393 4.878 0 40 KJAB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)c(C)cc1Br 408669009 VOLLYIPJBXGLRV-UHFFFAOYSA-N 501.299 4.985 0 40 KJAB Cc1c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)ccc(Br)c1Cl 408688336 QOZYJRMCPCUFNT-NRFANRHFSA-N 555.812 4.800 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(Br)c(OC(C)=O)c(OCC)c3)c2=O)=N1 408873501 UXXNAFRNVZUQJL-MFCBUNOESA-N 673.582 4.682 0 40 KJAB CCOc1c(Br)cc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1cc(Cl)ccc1OC)C(C(=O)OC)=C(C)N=2 408937642 HBQXVWFCDLGCNE-WQLLJXGDSA-N 656.780 4.994 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 408944459 MNZWEHPJIYKRRN-UPWSPCOFSA-N 591.085 4.658 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3OC(C)C)c(=O)n2[C@@H]1c1ccccc1 408986848 POWPWALGCAJKIN-YMWOEAMWSA-N 524.642 4.723 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)c(OCC)c(OC)c4)c(=O)n32)cc1 409029568 AUZAOAVHRRHPMR-XSZPGNIMSA-N 615.546 4.755 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409030920 ILXJTOXEURNGNG-KEQCBNTKSA-N 692.572 4.606 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Cl)ccc4OCC)c(=O)n32)cc1 409036613 LVQXWSXOCODMKI-XSZPGNIMSA-N 541.069 4.638 0 40 KJAB CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC 409081945 OWAARUKWNNIPMY-HSUOJCLFSA-N 569.683 4.680 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)c2ccc(C)cc2)cc1Br 409112136 FCCAIENDBQVULC-UHFFFAOYSA-N 588.524 4.986 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409173005 NMSPBWZCOMSCLN-UHFFFAOYSA-N 625.725 4.656 0 40 KJAB COC(=O)[C@@H]1NC(c2cccc(Cl)c2)(c2cccc(Cl)c2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 409191160 UBFPMKHFCARQBG-BHDDXSALSA-N 529.807 4.841 0 40 KJAB CCOc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)ccc1OCC(=O)Nc1ccccc1C 409259205 XFFBAQRUESUXCQ-UHFFFAOYSA-N 503.668 4.905 0 40 KJAB COc1ccc(OC)c(NC(=O)CSc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c1 409333289 GEQYFJIDLMSEOA-CALCHBBNSA-N 511.625 4.724 0 40 KJAB COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2Br)C1=O 409339364 UOBIGXQECLNMRP-CXUHLZMHSA-N 526.206 4.895 0 40 KJAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(OC)c(O)c(Br)c3Br)C2=O)o1 409390913 YIGNIHSFHHYLBB-WUXMJOGZSA-N 547.177 4.542 0 40 KJAB O=C(CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1)Nc1ccc2c(c1)OCCO2 409412047 QLTSSKOGUSGIMX-UHFFFAOYSA-N 539.411 4.904 0 40 KJAB Cc1ccccc1-n1c(=O)c2c(n1CC(=O)Nc1ccc3c(c1)OCCO3)Oc1ccc(Cl)cc1C2 575614960 CWZMAEQVDIMROY-UHFFFAOYSA-N 503.942 4.707 0 40 KJAB O=C1CCCN1CCCOc1cccc(CN2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 585270021 AJVKPGJAYUFFRR-UHFFFAOYSA-N 507.458 4.791 0 40 KJAB Cc1cc2c(cc1S(=O)(=O)NC(=O)c1ccc3c(c1)[C@@H]1O[C@H](Cc4ccc(F)cc4)CC[C@H]1C(C)(C)O3)OCC(=O)N2 585280282 LZFAGLFEWHURAD-IXQRDTAUSA-N 594.661 4.834 0 40 KJAB Cc1ccc2oc(C(=O)N3CCO[C@]4(CCCCc5ccccc5OCCN(C(C)C)C4=O)C3)cc2c1 643556807 OBFIYEWDTNZHQB-SSEXGKCCSA-N 504.627 4.995 0 40 KJAB CN1CCN(C(=O)CC2CCN(CCc3ccccc3)CC2)CCOc2ccccc2Oc2ncccc2C1=O 643566817 KJIKBFNXUYORNV-UHFFFAOYSA-N 542.680 4.512 0 40 KJAB CN1CCN(C(=O)c2ccccc2OCCN2CCCC2=O)CCOc2ccc(-c3cccnc3)cc2Cc2cccc(c2)C1=O 643567695 QPSOTGNYKZBUCV-UHFFFAOYSA-N 618.734 4.947 0 40 KJAB COCCOc1cccc(CNC(=O)c2ccc3c(c2)CNCCCCCCCN3C(=O)c2ccncc2)c1 643584156 HDINMPDTTNEWMF-UHFFFAOYSA-N 530.669 4.737 0 40 KJAB Cc1ccc(OCC(=O)N[C@@H]2CCCC[C@H]2NC(=O)COc2ccc(C)cc2Br)c(Br)c1 673734 DKNGARKVASESFD-WOJBJXKFSA-N 568.306 4.830 0 40 KJAB COc1ccc(CCNC(=S)N(Cc2ccc3c(c2)OCO3)Cc2cc3ccc(C)cc3[nH]c2=O)cc1OC 875098 VKPPVWONUKTOTP-UHFFFAOYSA-N 545.661 4.702 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Oc2ccc3c4c(c(=O)oc3c2C)CCC4)cc1 2094027 WTTOTDBCLJBONA-MHZLTWQESA-N 556.640 4.875 0 40 KJAB biogenic CCOC(=O)Nc1ccc2c(COC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)cc(=O)oc2c1 2619293 MJXCBPANLSGICI-UHFFFAOYSA-N 549.001 4.546 0 40 KJAB COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N23)c(OC)c1 2964333 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LSOFBPBRQYEJLZ-UHFFFAOYSA-N 512.701 4.959 0 40 KJAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 12707843 VNHMFKCMEQVGNM-AREMUKBSSA-N 505.619 4.851 0 40 KJAB CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 12856133 DSFHIIBYRYMXAP-LJQANCHMSA-N 506.628 4.546 0 40 KJAB CN(Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 23074795 QEGKXLZKYGQQLN-UHFFFAOYSA-N 518.466 4.777 0 40 KJAB CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)COc2cccc(C)c2C)c1 57223009 PNWMPBZOBWOLLV-UHFFFAOYSA-N 501.627 4.820 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)Cc2ccccc2)cc1OC 59444190 JTQQFSFQOGSDSE-UHFFFAOYSA-N 509.411 4.840 0 40 KJAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)cc2)n1 59852971 ONKNCXNGEKMNIQ-UHFFFAOYSA-N 606.513 4.727 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)c2ccc(C)cc2)cc1 59884276 IHAVTWBMMGRIPE-UHFFFAOYSA-N 609.726 4.955 0 40 KJAB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1 97959143 NQPZPEVZWPPOEC-SRZZPIQSSA-N 602.356 4.809 0 40 KJAB CSc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 98046735 RLGCUCXXZDCYMM-JOCHJYFZSA-N 529.456 4.545 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4cccs4)cc3)cc2)c(OC)c1 100092748 LNWZHRYWLKLPOU-UHFFFAOYSA-N 587.701 4.644 0 40 KJAB Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccc3c(c2)OCO3)C(=O)c2snc(C(=O)NC3CCCCC3)c2N)o1 100293781 OYJBQZBBTKYDIA-VWLOTQADSA-N 595.722 4.716 0 40 KJAB COc1ccc(OC)c(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccccc2F)c1 100363668 YIAROMCSIFEKND-LJAQVGFWSA-N 545.615 4.811 0 40 KJAB COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2cc(C)cc(C)c2)c1OC 100365416 AJDNGJCAMZFEJW-GDLZYMKVSA-N 541.652 4.899 0 40 KJAB CCOC(=O)C1=C(NC(=O)c2c(N)n(Cc3ccc4c(c3)OCO4)c3nc4ccccc4nc23)S[C@@H]2CCCC[C@H]12 103629341 OUCGIFWNBVPPNE-HTAPYJJXSA-N 571.659 4.754 0 40 KJAB CCOc1ccccc1NC(=O)CSc1nnc([C@@H](CCSC)NC(=O)c2ccc(OC)cc2)n1CC 106437981 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526.920 4.979 0 40 KJAB COc1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccc(Cl)c(Cl)c3)C(C)C)n2C)cc1 409362791 SRCKXSLRYZHIDS-FQEVSTJZSA-N 522.458 4.988 0 40 KJAB O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1Cl)C(=O)Nc1ccc(F)cc1)c1ccccc1Cl 409384142 ADTMRTADTQKFQG-WOJBJXKFSA-N 520.296 4.607 0 40 KJAB CCOc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 409392978 UJCDECQEOYLNAI-UHFFFAOYSA-N 503.020 4.619 0 40 KJAB CO[C@@]1(COc2cccc(Cl)c2)COCCN(Cc2cccc(OCCCn3ccnc3C)c2)C1 585270300 BFUQZWGQNQZMTE-HHHXNRCGSA-N 500.039 4.610 0 40 KJAB CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O 1374383 AOAVAGZABRZYSW-RUZDIDTESA-N 504.635 4.830 0 40 KJAB C[C@H]1CNC(CCc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(CCC5=N[C@H](C)CN5)cc4)cc3)cc2)=N1 1694615 YKIDFLUGGRBNQC-SZPZYZBQSA-N 536.680 4.837 0 40 KJAB CCOC(=O)CSc1nnc2n(-c3ccccc3OC)c(=O)c3c(n12)-c1ccccc1CC31CCCCC1 1836265 GVYOFTPXODNIOS-UHFFFAOYSA-N 530.650 4.969 0 40 KJAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)c1 3353615 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CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](CC)C(=O)NC(C)C)c2ccccc2)cc1 260707806 UWYNFEKAUICOAK-MUUNZHRXSA-N 569.699 4.752 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 260785166 LNJRLCBUGGCWJD-XMMPIXPASA-N 565.736 4.839 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c2cccc(Cl)c2C)cc1 260832426 JMZLAAGMENKZIB-LJQANCHMSA-N 515.031 4.801 0 40 KJAB COc1ccccc1N(CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 260839650 AUFANJYSTGWKLB-MUUNZHRXSA-N 583.726 4.545 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)c2ccccc2C)cc1 260875700 GUYGKFHPVVFDPV-XMMPIXPASA-N 553.700 4.827 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 260905082 WIMKIVFPYPXUQD-JOCHJYFZSA-N 616.578 4.985 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)c2ccc(Cl)cc2)cc1 260943577 PLPHSMFFGLERRT-OAQYLSRUSA-N 590.117 4.873 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 261009332 UAAGFEGGGSCDAC-UXHICEINSA-N 556.556 4.914 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 261085722 SDDSOJNQAKMWFR-JOCHJYFZSA-N 539.673 4.661 0 40 KJAB CC[C@@H]1OC(=O)[C@](C)(F)C(=O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(OC)C[C@H](C)C(=O)[C@H](C)[C@@H]2N(CCCCn3cc(-c4cccc(N)c4)nn3)C(=O)O[C@]12C 306122916 IXXFZUPTQVDPPK-VAAWTBFXSA-N 845.023 4.604 0 40 KJAB CCOc1ccc(N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 408546190 CRVYEQOOUHPDBQ-UHFFFAOYSA-N 546.064 4.730 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 408548405 QVUWWJJYEVQMRO-UHFFFAOYSA-N 536.075 4.732 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)Cc2ccccc2)cc1 408619345 HJCUUCDMZINBTN-UHFFFAOYSA-N 503.418 4.677 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccc(Cl)cc2)cc1 408624794 URORMVXLLGEMHB-UHFFFAOYSA-N 568.017 4.912 0 40 KJAB COC(=O)c1c(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2 408629754 HJTRYITVLQSTPS-UHFFFAOYSA-N 512.653 4.783 0 40 KJAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccc(OC)cc3)cc2)cc1 408646635 QGWWSBMAZFSDGI-UHFFFAOYSA-N 520.538 4.565 0 40 KJAB CC(C)[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408656409 MGIACNZGCJXKAZ-ACSHCZKOSA-N 563.437 4.941 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cc(Cl)ccc2OC)cc1 408667863 RTCORGHYJOQRBE-UHFFFAOYSA-N 504.967 4.596 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 408712343 PDOGFPVVIOHHMA-UHFFFAOYSA-N 551.646 4.858 0 40 KJAB O=c1/c(=C/c2ccc(N3CCOCC3)o2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408770373 WRWFUAYCZJYFHE-ZEKHAJRLSA-N 574.500 4.511 0 40 KJAB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc(Cl)c1OC 408924146 QLKJMRIOWYDEPA-ZRELAVNMSA-N 547.460 4.511 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 408997356 NWZSMNFYWMWNMO-RISWYLRJSA-N 574.680 4.787 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCc3ccccc3Cl)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409043984 GEPNUORKURGADV-DJPQNNMESA-N 707.201 4.990 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Cl)cc(I)c4O)c(=O)n32)cc1 409083746 VQFCIGJYOUCZIY-LYRGBEMXSA-N 657.917 4.846 0 40 KJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 409115420 MDLXMHAMVSBFNV-SFHVURJKSA-N 590.098 4.728 0 40 KJAB CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3cc(C)c(C)cc3Br)n2C)cc1 409156632 LGBHATAAIHKRCP-KRWDZBQOSA-N 560.518 4.571 0 40 KJAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)S(C)(=O)=O)cc1C 409411945 NZUSAXUYOABEBY-LJQANCHMSA-N 550.102 4.859 0 40 KJAB COc1cc(CN2CCC(O)(COc3cc(C)ccc3Cl)CC2)ccc1OCCn1ccnc1C 585271093 JGVIZSXHRRRIEI-UHFFFAOYSA-N 500.039 4.647 0 40 KJAB CCn1c(=O)n(CC)c2cc(NC(=O)CN3CCN(Cc4cccc(OC)c4)CCCN(C(C)=O)c4ccccc4C3)ccc21 643554956 TYOSXCNUEVFYEC-UHFFFAOYSA-N 612.775 4.551 0 40 KJAB CC(C)C(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)c3ccnn3C)Cc3ccccc31)N2Cc1ccccc1 643577492 MXSLHNPQLIDCOW-SXOMAYOGSA-N 513.686 4.879 0 40 KJAB COc1cc([C@@H](CC(=O)NCCN2CCOCC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC 1547139136 KGCDJYUOWGOYRX-WNCULLNHSA-N 668.784 4.576 0 40 KJAB biogenic COc1ccc(CCN(C(=O)c2cnccn2)[C@@H](C(=O)NC2CCCCC2)c2sccc2C)cc1OC 921618 YINDPJLPQYBZHU-RUZDIDTESA-N 522.671 4.739 0 40 KJAB CC(=O)c1ccc(N(C(=O)[C@@H]2COc3ccccc3O2)[C@H](C(=O)NC2CCCCC2)c2ccco2)cc1 931046 VBFGQVPCUXKCQJ-SVBPBHIXSA-N 502.567 4.845 0 40 KJAB CC(C)[C@H](c1nnnn1Cc1ccco1)N(Cc1ccccc1Cl)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 1336723 NCXWTKQKZJUUII-AREMUKBSSA-N 547.015 4.938 0 40 KJAB COc1ccc(NC(=O)[C@H](c2ccc3c(c2)OCO3)N(Cc2ccccc2C)C(=O)Cn2nnc3ccccc32)cc1 1419114 DPNJLPHWBLOQKJ-HKBQPEDESA-N 563.614 4.886 0 40 KJAB CCc1nc2sc3c(c2c2nnc(SCC(=O)N[C@@H](C)CCc4ccccc4)n12)CC(C)(C)OC3 2230488 LMAZFRPSPIXXGA-INIZCTEOSA-N 509.701 4.982 0 40 KJAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3Br)n2C)c1 2633421 COFSEJUIXJLXHU-UHFFFAOYSA-N 512.227 4.747 0 40 KJAB O=C(CSc1ncc(C(F)(F)F)cc1Cl)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 3285474 BYYCFUBCFUTUIQ-UHFFFAOYSA-N 529.993 4.532 0 40 KJAB COc1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2Br)C(Cl)(Cl)Cl)cc1 3406184 GNFGTFSQMRVYIW-HNNXBMFYSA-N 511.656 4.870 0 40 KJAB CCOC(=O)c1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)sc2c1CCC2 6146095 RHAIOKLUKOTWOG-UHFFFAOYSA-N 500.627 4.963 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3ccc(Cl)cc3)[C@@H](C(=O)NC3CCCCC3)c3ccncc3)n2)cc1 6279916 DORSXSIMGSGHGT-HHHXNRCGSA-N 544.059 4.920 0 40 KJAB Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 6410123 QJHZQKLNKHFLSS-GDLZYMKVSA-N 504.638 4.915 0 40 KJAB CCCCOCCCNC(=O)C1CCN(C(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 9971013 QFKQCSNZGJWSKU-UHFFFAOYSA-N 509.647 4.759 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3C)[C@@H](C(=O)NC(C)(C)C)c3ccc(Cl)cc3)n2)o1 12477239 OAVNNOJXXMEYNG-XMMPIXPASA-N 521.021 4.893 0 40 KJAB COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(NC(C)=O)cc2)c1OC 13025995 OVSLZIDVEOMVRE-VWLOTQADSA-N 505.571 4.702 0 40 KJAB COc1cccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)c1 13030399 WNJOASCUVWYOSU-MHZLTWQESA-N 503.578 4.516 0 40 KJAB C[C@H](C(=O)NCCSCc1ccccc1F)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 13670420 VTLPZBSFXCORGJ-LJQANCHMSA-N 502.633 4.822 0 40 KJAB COc1ccc(CN(C[C@H]2CCCO2)[C@H](c2cc3cccc(C)c3[nH]c2=O)c2nnnn2C2CCCC2)cc1 20082966 XHAJWAIDBQIYNB-LEAFIULHSA-N 528.657 4.717 0 40 KJAB COc1ccc(Cl)cc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 20236001 BDVHXCYSVTWHLU-UHFFFAOYSA-N 504.992 4.508 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)Cc2ccccc2)cc1Cl 22539247 RYCUUXWWBXXUBO-SFHVURJKSA-N 505.011 4.946 0 40 KJAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(SC)c(C(=O)N4CCOCC4)c3)ccc21 26117984 BRTJVEQPMUQBMB-UHFFFAOYSA-N 509.653 4.810 0 40 KJAB O=C(/C=C\c1cccs1)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1 34891159 QGFUSUNISSHGDD-NTMALXAHSA-N 504.033 4.691 0 40 KJAB O=C(O)CCC(=O)N1N=C(c2c(-c3ccc(Cl)cc3)c3ccccc3[nH]c2=O)C[C@@H]1c1cccnc1 95945934 PPRWOVSCBDTODM-JOCHJYFZSA-N 500.942 4.786 0 40 KJAB COc1ccccc1NC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)Nc2ccccc2OC)[C@H]1c1ccc(Cl)cc1 100225325 FCCOIKDCAXIRFH-OSSDZZHWSA-N 537.012 4.674 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc(N(C)C)cc2)c2ccc(OC)cc2)cc1 101387314 VJPWTLWLTKQVCA-YTTGMZPUSA-N 578.673 4.923 0 40 KJAB Cc1c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3Cl)c2)c(=O)n(-c2ccccc2)n1C 102263541 IKNKZEQDUIBNJE-UHFFFAOYSA-N 545.448 4.869 0 40 KJAB CCCCNC(=O)C1=C(Nc2ccc(OC)cc2)S[C@H](C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)C1=N 102930167 YCTZILZNKVJPOW-QFIPXVFZSA-N 556.710 4.736 0 40 KJAB Cc1nc(NC(=S)NC(=O)c2cc(I)ccc2Cl)ccc1Br 104912445 QIOXTZKRPSAZBL-UHFFFAOYSA-N 510.582 4.537 0 40 KJAB O=C1S/C(=C\c2cc(I)cc(I)c2O)C(=O)N1Cc1ccccc1 106680538 MVYYMZRKLHFNIX-AUWJEWJLSA-N 563.154 4.838 0 40 KJAB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 108887681 ZUVAODAWHCZNDP-UHFFFAOYSA-N 581.638 4.714 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c2cccc(Br)c2)cc1 197962246 URFTXNHQTKBIGQ-UHFFFAOYSA-N 644.573 4.799 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 222408116 IQWWASJKYDUFDE-DEOSSOPVSA-N 535.710 4.785 0 40 KJAB O=C(Nc1nnc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)s1)c1ccc(Cl)cc1Cl 222551751 DMYIUPIQFWIEEL-UHFFFAOYSA-N 511.334 4.595 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 222709407 BSJYRZOVOBPVIE-AREMUKBSSA-N 576.546 4.762 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 222804291 CVFABAACYORNOT-NRFANRHFSA-N 662.205 4.902 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 222997522 KCEFIHDNJAUAHU-JOCHJYFZSA-N 616.578 4.905 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223217297 QKIRFVUDDKGTFG-QFIPXVFZSA-N 662.205 4.903 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 223516358 FTEFIAUYVCCLMA-JOCHJYFZSA-N 542.101 4.706 0 40 KJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccccc1 223519361 RWCQBYZGKWJGOY-VWLOTQADSA-N 549.737 4.820 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 223531585 OKUQYBUSUUQENP-HHHXNRCGSA-N 618.569 4.911 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 223592561 XCFJKCIFHSURHR-HHHXNRCGSA-N 595.762 4.930 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 223725612 KMINHNFODHZEPL-DEOSSOPVSA-N 563.720 4.675 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 223733382 UJCWNGFEPHEPMO-KRWDZBQOSA-N 560.038 4.601 0 40 KJAB 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CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)COc1cc(OC)cc(OC)c1 225150540 WWAJTSHDWUALTN-RUZDIDTESA-N 503.039 4.992 0 40 KJAB CC(C)n1c(=O)sc2cc(NC(=O)C3CCN(S(=O)(=O)Cc4c(F)cccc4Cl)CC3)ccc21 225160911 KBXDIUCRDNVFGD-UHFFFAOYSA-N 526.055 4.617 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 225198462 QWFRCQSQRARGIE-AREMUKBSSA-N 602.153 4.886 0 40 KJAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 225439168 DQBNBXORCFNDHI-HHHXNRCGSA-N 647.579 4.863 0 40 KJAB COC(=O)c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c1 225469154 VPDIQXDKXJYQOK-FTJBHMTQSA-N 561.689 4.516 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 225587474 NIDYBWDBCNIXTB-MUUNZHRXSA-N 570.155 4.889 0 40 KJAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 225683925 PJIRWZCPOCBPNB-QFIPXVFZSA-N 542.101 4.520 0 40 KJAB COc1ccc(-c2nnc(NC(=O)c3ccc(N(Cc4ccc(F)cc4)S(C)(=O)=O)cc3)s2)cc1 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O=C(Nc1cccc(Br)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 408584155 MNAYUSSTLHDIOR-FQEVSTJZSA-N 538.261 4.740 0 40 KJAB COc1ccc(CCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1OC 408586931 AFDZZUUAAJXBFW-UHFFFAOYSA-N 567.491 4.882 0 40 KJAB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C/C=C/c2ccccc2)CC1 408620808 MJNNPUDSVWPQFZ-JXMROGBWSA-N 516.107 4.521 0 40 KJAB O=C(CN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCC(=O)c1ccc(Br)cc1 408661550 QVGOJDJWZARHFL-SIQOOTDXSA-N 599.264 4.768 0 40 KJAB CC(=O)Oc1ccc(N2C(=O)c3ccc(C(=O)N4[C@H](C(=O)c5ccccc5)[C@H]4c4ccccc4)cc3C2=O)cc1 408687637 UZVYNBXSTQWTKJ-ITXNJQJZSA-N 530.536 4.861 0 40 KJAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)Nc1cc(C(F)(F)F)ccc1Cl 408690492 VNQDHVDCPCOBIB-UHFFFAOYSA-N 506.820 4.544 0 40 KJAB O=C(NCc1ccco1)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 408714249 MCOHFSMBFOBHRT-QGZVFWFLSA-N 550.464 4.697 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408736646 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517.445 4.668 0 40 KJAB O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1cccc(C(F)(F)F)c1)NCc1ccco1 11758382 QMLUNPJTZXXOGA-UHFFFAOYSA-N 545.568 4.712 0 40 KJAB O=C1c2cccc(N3CCN(Cc4ccc(-c5ccc(Cl)cc5)o4)CC3)c2C(=O)N1C[C@H]1CCCO1 12246735 OUDMZSKJTJWEJK-OAQYLSRUSA-N 506.002 4.697 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1)N(C(=O)CNC(=O)c1cccs1)c1cccc(C)c1 12488517 VPIVHTWZGAPLAL-VWLOTQADSA-N 507.656 4.874 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cc(Cl)ccc1OC 13023850 PINSCCDTTUANOQ-RUZDIDTESA-N 521.021 4.568 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(Cc1ccccc1F)C(=O)Cn1nnc2ccccc21 13024483 PIEHKSWUVCFPJR-HHHXNRCGSA-N 517.605 4.654 0 40 KJAB CCOc1ccc(C(=O)CCC(=O)Nc2ccc(OC)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1 13137273 WIDVLVWKHYMVTC-UHFFFAOYSA-N 512.584 4.505 0 40 KJAB Cn1c(=O)n(C)c2cc(SC3CCCCC3)c(NS(=O)(=O)c3ccc(Br)s3)cc21 28049241 GQAXCELUJYRHFJ-UHFFFAOYSA-N 516.508 4.927 0 40 KJAB COc1cc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1Br 28358376 XQWHRVJYLQAKNY-UHFFFAOYSA-N 501.446 4.554 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)c(Cl)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 34931887 WYEFFHAVHKDKSR-WLJFKGHSSA-N 517.434 4.504 0 40 KJAB CCOc1ccccc1C(=O)[C@@H]1[C@H]2CCCN2[C@@]2(C(=O)Nc3c(C)cc(C)cc32)[C@]12C(=O)Nc1ccccc12 61954559 SFJVDJKWVJXRMO-ZUBGVVFXSA-N 521.617 4.717 0 40 KJAB CSC[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(Cl)c3)N2C1=O)C(=O)O 70706199 WWTXBBQCXXKCMC-LLZJGCNPSA-N 589.073 4.850 0 40 KJAB biogenic Cc1cc(-c2nnc(SCC(=O)Nc3sc4c(c3C(=O)OC(C)C)CCCC4)n2Cc2ccco2)nn1C 97948143 OWWULBGOWVJERD-UHFFFAOYSA-N 554.698 4.865 0 40 KJAB CCOC(=O)c1nn(-c2cccc(Cl)c2)c(=O)c2c(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)scc12 97958232 WPGBWBVAZPKJGJ-UHFFFAOYSA-N 601.106 4.704 0 40 KJAB O=C(c1cncc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 98045957 NZNFPTNRAKAXFH-UHFFFAOYSA-N 571.810 4.535 0 40 KJAB CCOc1ccc(CCNC(=O)Cn2cccc2-c2nc(-c3ccc(OC)c(F)c3)no2)cc1OCC 98211466 DDHOXYQNANKGQU-UHFFFAOYSA-N 508.550 4.509 0 40 KJAB 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4.904 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224194859 OQNULNSMNHEOMR-MUUNZHRXSA-N 628.191 4.824 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 224201780 STNXKQIIMUQNJU-NDEPHWFRSA-N 551.709 4.533 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 224203233 XPVJEDUBWHGIBU-MHZLTWQESA-N 535.710 4.751 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 224560094 KYGVXJOEUMCCEV-AREMUKBSSA-N 591.652 4.853 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 224624781 AEQPYIPVBLYOAS-RUZDIDTESA-N 536.138 4.774 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 224651895 YUSQFLVQAQFIPH-QHCPKHFHSA-N 569.699 4.670 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)cc1OC 224677050 LPIHPKAWVBAENV-QFIPXVFZSA-N 597.709 4.514 0 40 KJAB COc1ccccc1N(CC(=O)NCc1ccccc1CN1CCCCC1)S(=O)(=O)c1ccc(C)cc1 224818776 OKXHJVIBUXSQSW-UHFFFAOYSA-N 521.683 4.501 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 224954440 PINFZBGJNSPSMT-HSZRJFAPSA-N 576.081 4.747 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 225075293 OTEWDBWODYVAEU-AREMUKBSSA-N 586.552 4.978 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 225083779 REJGYXVUORTAKH-VWLOTQADSA-N 602.540 4.693 0 40 KJAB COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(NC(=O)C(C)(C)C)c(OC)c1 225097664 CISSBNZCHKDTDS-DNQXCXABSA-N 507.660 4.700 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 225111396 JPDIFEGHJWFQRA-PMERELPUSA-N 607.773 4.559 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 225167518 MLWLYLKVIVKSCU-HHHXNRCGSA-N 565.736 4.923 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 225176837 JOFFESXERGTFAC-NDEPHWFRSA-N 551.709 4.533 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225217625 FNNWABXANAKOFA-JOCHJYFZSA-N 646.604 4.995 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 225304329 DGCHBHWDQBFIHF-JOCHJYFZSA-N 572.555 4.882 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 225354913 WSFGZFQHWILRBG-LOSJGSFVSA-N 565.736 4.839 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccc2c(c1)OCCO2 225361569 WBADTLAHMGCYOP-LJAQVGFWSA-N 640.202 4.966 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 225552233 YOLNMVZMTHKWAK-CJFMBICVSA-N 537.673 4.542 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 225609130 UESIYXGWODNTSG-SQJMNOBHSA-N 536.138 4.917 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 225635709 JJYDQEZOKGBVGG-SQJMNOBHSA-N 536.138 4.917 0 40 KJAB CCN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)C[C@H](C)C2)[C@@H]1CCS(=O)(=O)C1 229727583 VWJLEGWEWJTIFP-OPDMPJMWSA-N 532.662 4.550 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)[C@H](C)C(=O)NC(C)C 260757669 RPBRIEPPPLMBPO-JOCHJYFZSA-N 586.552 4.895 0 40 KJAB CC(=O)c1cccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 260802818 PVEPSQWDPXDJOI-GOSISDBHSA-N 582.550 4.828 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 260885745 CJUZHAZQCOTVSG-KCWPFWIISA-N 529.747 4.826 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 260892513 DCSQCRZTVLKALA-GIGWZHCTSA-N 625.788 4.938 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)c1 260924581 AGXOTJKLZVKTDA-SSEXGKCCSA-N 579.738 4.907 0 40 KJAB 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3O[C@@H](C)CC)c(=O)n2[C@@H]1c1ccccc1Cl 408603108 QDVWMFBENWJCNX-MCBDKKBHSA-N 511.043 4.629 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(C)c3C)CC2)c2ccc(C)cc2)cc1Br 408630109 NTPHHCXEYYWVJJ-UHFFFAOYSA-N 586.552 4.927 0 40 KJAB CCOc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408668370 WKFJPARFSSYKPM-OJKWPBSESA-N 521.400 4.617 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cccs2)n2c(s/c(=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)c2=O)=N1 408832279 XTBMUGPYYYSEPD-DBXPASCUSA-N 588.707 4.917 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 408857405 GGASCJPOXVZPIK-QTTRZTASSA-N 619.095 4.738 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC 408864631 XPMBUWVXNUYTIV-UQDCTOEPSA-N 663.546 4.847 0 40 KJAB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccc(Cl)cc2)N[C@H]1c1ccc(OC)cc1OC 408988669 IUDBLHPQVLHICC-QFIPXVFZSA-N 504.008 4.567 0 40 KJAB 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O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 409265837 WEJAJWAZSNMLEI-HHHXNRCGSA-N 612.129 4.835 0 40 KJAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)Nc1ccc(Br)cc1 409341617 DZWBGUBFJWCIOK-UHFFFAOYSA-N 501.830 4.731 0 40 KJAB CCn1c(SCC(=O)Nc2ccccc2OC)nnc1[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 409344983 LVSXECJDYVFHSM-ZDUSSCGKSA-N 508.431 4.835 0 40 KJAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1Br 409345929 LVHQQHHIHPFOON-CXUHLZMHSA-N 573.206 4.737 0 40 KJAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Br)c(O)c(Br)c3)C2=O)o1 409387733 DVUMSFRYWXETOK-AWNIVKPZSA-N 517.151 4.533 0 40 KJAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C2=O)o1 409387926 YPBXNVPQPJRDAR-YDZHTSKRSA-N 515.547 4.896 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)ccc3OCc3ccc(C)cc3)C2=O)o1 409401283 SDACYOGUYXAUNB-NDENLUEZSA-N 525.355 4.809 0 40 KJAB CC(C)Oc1ccc([C@@H](C)NC(=O)CN2CCC3(CCCCc4ccccc4OCCNC3=O)CC2)cc1 643558809 SCLXGSBOAZRXIY-XMMPIXPASA-N 521.702 4.655 0 40 KJAB CCOC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OCC)C1c1cc(OC)c(OC)cc1OC 1459573 MENVZXADXLJIKU-UHFFFAOYSA-N 515.990 4.859 0 40 KJAB O=C(CSc1nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2o1)Nc1ccc(N2CCOCC2)cc1 3339168 RZTLGYCEKQOPRN-UHFFFAOYSA-N 559.069 4.849 0 40 KJAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1/C=C/C(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1 3432247 BMTJAEWFTWOHRD-ZHACJKMWSA-N 543.451 4.887 0 40 KJAB O=C(NCc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1cccc(C(F)(F)F)c1)c1cccs1 3632497 VAGWXFYOIAOAQQ-UHFFFAOYSA-N 543.596 4.959 0 40 KJAB Cc1ccccc1C(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(Br)cc1 3653718 HXDNKKZPBIDVPM-UHFFFAOYSA-N 504.383 4.961 0 40 KJAB CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)cc2)c(Cl)cc1Cl 8444615 FAXUYGJICJTWBG-UHFFFAOYSA-N 586.563 4.743 0 40 KJAB COc1ccc([C@H]2[C@H](C(=O)OCC(=O)Nc3ccc(C)cc3)CCC(=O)N2c2ccc(OC)cc2)cc1 8686751 PUUSERNCIDZBSW-NAKRPHOHSA-N 502.567 4.678 0 40 KJAB COc1ccc2[nH]cc(CCNC(=O)COc3cc4c(c5oc(=O)c(C)c(C)c35)CCC(C)(C)O4)c2c1 8877655 ZDCXTKTVNQLRGC-UHFFFAOYSA-N 504.583 4.741 0 40 KJAB biogenic CCOC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccc(F)cc2)c1 9934215 PKNIJHFEQWAGBS-XMMPIXPASA-N 503.530 4.677 0 40 KJAB COc1ccc(-c2c(C(C)C)nn3c4c(nnc23)C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C4)cc1OC 10156992 QWRJAYKZXNNTMC-SFHVURJKSA-N 502.571 4.862 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)n2-c2ccccc2)cc1 11852243 NNEKOLOXIBQBFC-UHFFFAOYSA-N 568.030 4.897 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccccc1C)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(C)=O)cc1 13024346 VVZVGKVJUJXWRH-MUUNZHRXSA-N 526.641 4.777 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21 13024687 NECBJGZCRYEEGW-HHHXNRCGSA-N 501.606 4.688 0 40 KJAB COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2ccccc2C)c(OC)c1 13029559 QYSIMAKJBURUCB-LJAQVGFWSA-N 527.625 4.590 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)cc1 14401598 JXTOWDPWGNNOFO-UHFFFAOYSA-N 529.684 4.598 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2ccc(C)cc2)cc1Br 22278788 MVENUANEJCQKLR-UHFFFAOYSA-N 503.418 4.909 0 40 KJAB Cc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1S(=O)(=O)N1CCOCC1 30870650 CFDPTFOGEXXFRP-UHFFFAOYSA-N 520.651 4.797 0 40 KJAB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Cl)ccc5O)c(=O)n42)c2ccccc2CC3)cc1 58856677 NMCNIQMLIWAFEZ-KMBIYUNPSA-N 501.007 4.686 0 40 KJAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 97979247 PNGSJBLOWAGILV-XLRPATRDSA-N 532.600 4.832 0 40 KJAB COc1cc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccc(Cl)cc23)cc(OC)c1OC 97999303 VRHMNMHDNDTMMJ-UHFFFAOYSA-N 525.974 4.533 0 40 KJAB Cc1ccc(C)c(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)[C@@H](C(=O)NCc2ccc(F)cc2)c2ccncc2)c1 100330297 NRWQZFCGPSBPPQ-GDLZYMKVSA-N 567.600 4.721 0 40 KJAB COc1ccc(CCN(C(=O)c2cccc(F)c2)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 100590998 FLERXDQYZDLKSS-QFIPXVFZSA-N 510.949 4.513 0 40 KJAB CC(C)(C)C(=O)COC(=O)c1cc(-c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)nc2ccccc12 102517286 CFAZNMFWWONEPX-MOVYAIRMSA-N 508.574 4.985 0 40 KJAB CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc(OC)cc3)C(=O)N12)C(=O)Nc1ccc2c(c1)OCO2 102745203 YMSZFMSJKPXQDP-SHQCIBLASA-N 613.696 4.630 0 40 KJAB Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1O 103011115 SWVULTRPQQMSKW-UHFFFAOYSA-N 558.944 4.526 0 40 KJAB CC1(C)C[C@@H]2C[C@](C)(CN2S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccc(Br)cc3F)c2)C1 103102564 XMJMMRMPATXQNN-CJAUYULYSA-N 567.477 4.973 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 111470016 BIATVKQURNRQPM-LRUGRNCASA-N 552.652 4.788 0 40 KJAB CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)cc1 138840374 CXCAZIDVXFNHID-MRXNPFEDSA-N 551.821 4.513 0 40 KJAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccccc3)c(OCC)c2)C1=O 205670826 FNKTUFNVIHDEFW-XDHOZWIPSA-N 567.401 4.868 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 216000342 TXLVUCPNLMTPFR-UHFFFAOYSA-N 548.086 4.958 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 222467833 DJVFYAGEKDBICC-RBISFHTESA-N 627.735 4.523 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 222891156 OBGANXROCZLXPW-QFIPXVFZSA-N 542.101 4.706 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 223206773 SJLXWNNZYGZHPS-RUZDIDTESA-N 590.515 4.645 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223352568 RMFBUBUDYWPPHS-XMMPIXPASA-N 624.518 4.652 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223392569 KOUDEHVUEQKYJB-NEKDWFFYSA-N 600.181 4.978 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 223409516 GZRAGSNFXHVNCY-FQEVSTJZSA-N 571.571 4.557 0 40 KJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 223518508 VGZBGOWEDWRNLY-VWLOTQADSA-N 535.710 4.566 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 223647549 VBQGKQIBQNAZEC-AREMUKBSSA-N 515.720 4.573 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 223647683 CHARHMCCHXCZTJ-JOCHJYFZSA-N 592.080 4.856 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 223742093 SWXRLIMELARORN-NRFANRHFSA-N 519.667 4.605 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 223812869 QQOCFDNTKXUHMF-JOCHJYFZSA-N 546.492 4.622 0 40 KJAB COc1cccc(CN(C(=O)COc2cc(C)c(Br)c(C)c2)[C@@H](C)C(=O)NC2CCCC2)c1 224034819 MIDPTOCCSRVXLW-IBGZPJMESA-N 517.464 4.929 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 224037154 PUVORKCINBHZJM-LJAQVGFWSA-N 549.737 4.544 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224061964 KIJQHTKXBRTZHA-GDLZYMKVSA-N 567.727 4.847 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 224193454 RMWQDXKFZZYSCB-MHZLTWQESA-N 565.736 4.759 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)c2cccc(C)c2)cc1 224287287 JQXZFRMCIZGSNA-DEOSSOPVSA-N 553.700 4.827 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 224377801 ONQLDHQUZPXOAO-QGZVFWFLSA-N 518.441 4.559 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 224426252 JMFAUHTWHOMIKB-VWLOTQADSA-N 565.736 4.697 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 224591429 WSNSZUODBPYFIE-HHHXNRCGSA-N 557.757 4.724 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c1 224648482 ZZUFCWWZZFKPLE-DEOSSOPVSA-N 563.720 4.757 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 224668172 BYBZNAAELFMBLG-NRFANRHFSA-N 564.148 4.761 0 40 KJAB 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Cc1ccc(S(=O)(=O)N2C[C@]3(CCCN(CC(=O)Nc4c(C)cccc4C)C3)OC[C@@H]2CC(C)C)cc1 257302382 SCSKBPWHOYOUJR-ABYGYWHVSA-N 527.731 4.521 0 40 KJAB CC[C@@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(C)ccc2O1)c1ccc(OC)c(C)c1 260790358 AAMOZENDXCXPIM-YIXXDRMTSA-N 508.640 4.844 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 260881961 CCIKRQJNBPGWBM-GOTSBHOMSA-N 539.673 4.661 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1 260882176 INVKVUHWNKEAAI-GOSISDBHSA-N 562.054 4.623 0 40 KJAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 260923494 IHQWPXLGWQVLCT-MUUNZHRXSA-N 570.155 4.681 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 260924167 GZFXQQOIFUKNSH-RPBOFIJWSA-N 535.710 4.831 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 260929563 WJJLAEMOSBLNIV-RUZDIDTESA-N 565.736 4.697 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 260968368 MCWUTUHXWXLLOV-YADHBBJMSA-N 616.578 4.985 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 261021186 WCEMVPDPGHRFJC-RTWAWAEBSA-N 552.137 4.617 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 261024548 WHWKYKSHSAVOFY-RPWUZVMVSA-N 583.726 4.978 0 40 KJAB Cc1cccc(C)c1N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 261025702 WEKWMZPZMDFWTB-HHHXNRCGSA-N 567.727 4.763 0 40 KJAB COc1cccc(CN(C(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 261032185 XIXDQFFBTIVFKK-JGCGQSQUSA-N 621.800 4.949 0 40 KJAB Cc1ccc(CNC(=O)C(=O)Nn2c(C(=O)Nc3cc(C)cc(C)c3)cc3cc(Br)ccc32)cc1 408572942 CCHLOCMTAQWOOO-UHFFFAOYSA-N 533.426 4.968 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl)NCCc1ccccc1 408595122 TXVAHROGADDOTC-UHFFFAOYSA-N 512.937 4.897 0 40 KJAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CC[C@H](C)C[C@H]5C4=O)c(C)c3)CC2=O)cc1Cl 408639706 GZSZGOSECOXVFR-UKYAFMKFSA-N 509.002 4.841 0 40 KJAB O=C(Oc1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408642663 PJBAIIIAAVAVFR-ZMYBRWDISA-N 501.366 4.632 0 40 KJAB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)c1 408643634 GIKDWLHMNKBCGA-WMPKNSHKSA-N 573.001 4.759 0 40 KJAB CC(=O)Nc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408656132 LSUXRJPBENTOJO-BVSWHAQMSA-N 548.426 4.567 0 40 KJAB Cc1c(Br)ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(=O)OCC(C)C)c2)c1C 408656638 FZRROSYFTBWYSW-UHFFFAOYSA-N 533.419 4.779 0 40 KJAB COc1ccccc1NC(=O)COC(=O)c1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408683402 MTTXCDPUFAJDLD-NPYONTDKSA-N 558.590 4.887 0 40 KJAB COc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 408929317 WERNOUKJEKZAND-FYJGNVAPSA-N 536.382 4.568 0 40 KJAB CCOC(=O)COc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC 408983508 KVPUYLRBIREQIJ-IKJCGGEJSA-N 693.174 4.557 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409105227 KBADDTAOLCFHRU-OXIKZWMZSA-N 546.092 4.919 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OC(C)C)cc4C)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 409110692 FYFZFCUZSMFVSG-ITNPZBTBSA-N 660.745 4.958 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C4\C(=O)N(Cc5ccccc5)c5ccccc54)c(=O)n32)c(OC)c1 409114201 GHYOZMSJPILVNV-RWBGVLPISA-N 642.737 4.808 0 40 KJAB CCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(OC)c2)C1=O 409234186 NAHKCUBYIQOSJO-UDWIEESQSA-N 528.346 4.945 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 409246026 CTUGJSSQMJLVFG-OEAKJJBVSA-N 637.487 4.714 0 40 KJAB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(Sc4nccc(C)n4)o3)c(=O)n21 409272834 HLJRHWGHYLVUSE-DNQIBQKISA-N 641.569 4.801 0 40 KJAB Cc1cc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3Cl)n2C)ccc1Br 409354105 YDOWFLNEFGGSIW-ZDUSSCGKSA-N 522.856 4.761 0 40 KJAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)NCCc2ccccc2)n1C 409364925 WNAMPEMVLCLPNY-OAQYLSRUSA-N 520.486 4.700 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 409409098 NAVBFTJLBFQVKD-UHFFFAOYSA-N 583.663 4.778 0 40 KJAB CC(=O)NC1CCN(C(=O)C[C@@]2(COc3cc(C)c(Cl)c(C)c3)CN(Cc3cc(C)cc(C)c3)CCO2)CC1 585284004 DQXGPWSFJCSFNX-HKBQPEDESA-N 556.147 4.741 0 40 KJAB Cc1nn(C)c(C)c1CCC(=O)N1CCN(CC(C)C)CCCN(C(=O)Cc2ccccc2)c2ccccc2C1 643567021 KMHUJSVZSZZHCG-UHFFFAOYSA-N 543.756 4.936 0 40 KJAB COc1ccc(NC(=O)CSc2nnc(COc3ccccc3OC)n2-c2ccccc2)c(OC)c1 924725 BAGGZICWBQIPCR-UHFFFAOYSA-N 506.584 4.603 0 40 KJAB CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 1374989 GJVTWAYIWGIJHD-AREMUKBSSA-N 582.661 4.657 0 40 KJAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 1466161 YDNGGCGXAMUZNR-UHFFFAOYSA-N 501.608 4.572 0 40 KJAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(Br)c3)N2C(=O)CN1CCc1ccccc1F 2124668 AQBSIAKZCJZGKM-RPLLCQBOSA-N 532.413 4.997 0 40 KJAB biogenic Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nnc(S[C@H](C)C(=O)c2ccc(F)c(F)c2)n1-c1ccccc1 2618856 JITWEHCIUMSJQD-LJQANCHMSA-N 584.670 4.905 0 40 KJAB O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)Nc1ccc(-c2ccccc2)cc1 2662876 JXVCIGQAQPKRAZ-UHFFFAOYSA-N 544.585 4.721 0 40 KJAB COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCN(c5ccccc5OC)CC4)c3N2)cc1OC 3012480 RDPPSGDGRXSQCH-NTKDMRAZSA-N 545.562 4.532 0 40 KJAB COc1ccc(-n2c(N)c(S(=O)(=O)c3ccc(NC(C)=O)cc3)c3nc4ccccc4nc32)cc1Cl 3290095 AMOBUKRYRNGXMU-UHFFFAOYSA-N 521.986 4.609 0 40 KJAB COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 8396152 UNVKMZALMKUVIG-WOJGMQOQSA-N 552.390 4.762 0 40 KJAB CCCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)cc1 8904516 LPBFELNLSLAISY-UHFFFAOYSA-N 503.068 4.560 0 40 KJAB O=C(CSc1nnc(CNC(=O)c2ccc(Cl)cc2Cl)n1-c1ccccc1)Nc1nccs1 11852239 HGFHOWVWHYCOCE-UHFFFAOYSA-N 519.439 4.691 0 40 KJAB COCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(F)cc3)N2C1=O 15959957 VXTXYEYVLCFEIS-AHKZPQOWSA-N 526.568 4.556 0 40 KJAB biogenic COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1 16001416 KDRKSHRNDJYHBD-LIONHTAISA-N 517.944 4.642 0 40 KJAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)c(C)c1 33058639 KMTPFFMGYLFQFK-UHFFFAOYSA-N 512.635 4.685 0 40 KJAB O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 44948151 WZLUNMCGCKQYMA-UHFFFAOYSA-N 505.356 4.648 0 40 KJAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccccc4)c3)cc2)n1 59852763 TXQRZYQORIKZKI-UHFFFAOYSA-N 572.068 4.601 0 40 KJAB COc1cc(/C=C/C(=O)N[C@@H](C)C(=O)O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 62715666 HOHIIVZCRNZOET-MALLOTDXSA-N 503.176 4.946 0 40 KJAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1F 97946722 IHCMBVCMHSPEGS-RQAATEJQSA-N 521.577 4.870 0 40 KJAB O=c1c2c(I)c(I)c(I)c(I)c2c(O)nn1-c1ccccc1 97959947 QKMNUHTVPZINBD-UHFFFAOYSA-N 741.830 4.510 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)c(OC)c1 100356552 QUPUVTNQTDWOIY-MUUNZHRXSA-N 545.640 4.536 0 40 KJAB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2cc(O)c(Br)cc2Br)N3)C1 102092870 YBIJAKNXLUVBDO-HNNXBMFYSA-N 531.226 4.922 0 40 KJAB COc1ccc(C(=O)[C@H]2[C@]3(C(=O)Nc4ccccc43)[C@H]3CCCN3[C@]23C(=O)Nc2c(Cl)cc(C)cc23)cc1OC 103530983 XEXABDNAKDLJKS-RGAOYJLTSA-N 558.034 4.680 0 40 KJAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 105177844 QKRZTPUMTCKICO-INIZCTEOSA-N 556.493 4.896 0 40 KJAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)CC1 113511977 JMQVTIAGRQVQFW-UHFFFAOYSA-N 538.428 4.904 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 214656926 YRWYMIGLFVWIBU-UDWIEESQSA-N 626.323 4.694 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 222462184 FZZDOWYNANERPC-NDEPHWFRSA-N 535.710 4.831 0 40 KJAB 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CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223463711 VYFVGUUIZTZKJG-OAQYLSRUSA-N 542.529 4.790 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 223478582 ILOSUPRHLUKZMS-RUZDIDTESA-N 565.736 4.841 0 40 KJAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 223538634 LYUGNPIVFRTMDA-HSZRJFAPSA-N 647.579 4.863 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 223589615 OVEKQIVNCRYOAD-NDEPHWFRSA-N 565.736 4.921 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc3ccccc3c2)c2cc(C)cc(C)c2)cc1OC 223595019 NNFMPWNGRPJUCF-UHFFFAOYSA-N 548.661 4.864 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(OCC)cc1)S(C)(=O)=O 223650027 FJGOLAPWLVWGAQ-MHZLTWQESA-N 545.746 4.664 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 223852806 KZJCTZUIPKKYSL-CYBMUJFWSA-N 555.311 4.620 0 40 KJAB 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4.970 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 261003335 FRKOTXUKXCURMU-NHCUHLMSSA-N 596.588 4.726 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 261009347 UAPSWANOCCWZCH-CUBQBAPOSA-N 535.710 4.647 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)c2ccc(C)cc2)cc1OC 261016849 VLACEWZWERZYRP-XMMPIXPASA-N 595.762 4.848 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 261045642 ZFELAQVTOQDPAO-URXFXBBRSA-N 536.138 4.917 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccc(Br)cc2)cc1 408615908 UMRGEQHBNQPQFK-HSZRJFAPSA-N 616.534 4.591 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 408730238 PFBDMCWOZCICBS-YMSBRDKKSA-N 565.445 4.526 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCC)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408767718 GMDOKUVFLOOTQS-ZYDFGXJWSA-N 621.937 4.630 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)c(I)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408835192 NAKVRWHKGPNJNK-FJWZAKCXSA-N 697.389 4.961 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccc(Cl)cc2)c2ccc(C)cc2)cc1 408922609 PEUSIOMUZCLJEA-UHFFFAOYSA-N 505.061 4.761 0 40 KJAB COc1ccc(OC)c(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)c1 409055096 JSJJNBITEKVXRC-UHFFFAOYSA-N 533.444 4.604 0 40 KJAB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)NCCc1ccccc1 409078540 IPBNJRSOHOLRBK-UHFFFAOYSA-N 521.864 4.652 0 40 KJAB C[C@@H](Oc1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc(I)cc2)n1C 409164235 FHSFOGDJMBKCSB-GFCCVEGCSA-N 528.803 4.944 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409222182 CFMCXMPRGYSDCD-MFKUBSTISA-N 516.575 4.940 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)C1=O)N1CCc2ccccc2C1 409272976 OSHBLVJVIXPIPM-RGVLZGJSSA-N 524.961 4.683 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Sc4nccc(C)n4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 409273390 QLDUSVIXYLPVCS-SRKIZSPNSA-N 615.506 4.543 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)c(Br)cc1O 409276936 YGYYWRSAWNRKEI-WSVATBPTSA-N 541.807 4.890 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2)c1 409367632 GPAOOXJNUUJLIV-UHFFFAOYSA-N 528.074 4.794 0 40 KJAB Cc1cccc2c1N(C(=O)COc1ccccc1)CCCN(C(C)C)CCN(C(=O)c1ccc3c(c1)OCO3)C2 643566203 ALDYCKMOOPTANN-UHFFFAOYSA-N 543.664 4.892 0 40 KJAB CC(C)Cc1cc(C(=O)N2CCC[C@]3(C[C@@H](O)[C@H](c4ccccc4)N(Cc4cccc(F)c4)C3=O)C2)on1 2037873593 YZAUHJKZGLVOCP-DILYWTOHSA-N 519.617 4.769 0 40 KJAB COc1ccc(Br)cc1[C@H]1SCCN1S(=O)(=O)c1cc(Br)ccc1OC 629421 UJQIGQMRRZZNCT-QGZVFWFLSA-N 523.268 4.665 0 40 KJAB COc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)S(=O)(=O)c3ccccc3C(F)(F)F)c(=O)[nH]c2c1 917055 OZXNINKXZIQVEV-UHFFFAOYSA-N 546.523 4.675 0 40 KJAB CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O 1374124 CEQDQIWWQSOOGY-QHCPKHFHSA-N 502.619 4.850 0 40 KJAB Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCN(Cc4ccccc4)CC3)CC(=O)N21 2111358 CHYVHPACLVGGSC-NYDCQLBNSA-N 518.661 4.826 0 40 KJAB biogenic COc1ccc2nc(NC(=O)CSc3nc4nn(-c5ccccc5)c(=O)c-4c4n3CCCCC4)sc2c1 3224543 DMBSNSLPISWLLI-UHFFFAOYSA-N 532.651 4.609 0 40 KJAB CCOc1cc(C(=O)NC(=S)Nc2cc(Cl)ccc2N2CCN(C(=O)CC)CC2)cc(OCC)c1OCC 4125388 QKOLZGYRFDMAPO-UHFFFAOYSA-N 563.120 4.722 0 40 KJAB CC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N(CCc1ccccc1)Cc1cccs1 6014949 KHFQMKTTZASLGK-AREMUKBSSA-N 542.665 4.894 0 40 KJAB O=C1[C@H]2N=NN(CC(=O)N3N=C(c4ccc(Br)cc4)C[C@@H]3c3ccccc3)[C@H]2C(=O)N1c1cccc(Br)c1 8454913 JZYYICPGIGFNHW-PZUNEJSGSA-N 636.304 4.883 0 40 KJAB COC(=O)c1c(NC(=O)CN2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2)sc2c1CCCC2 9281708 RHERRZJDVNWUSM-ZNFSXRAMSA-N 512.672 4.729 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c4c(c(=O)oc3c2C)CCCC4)c2ccccc2)cc1 9429862 IJSMCPSYQFXRDB-SANMLTNESA-N 517.603 4.914 0 40 KJAB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 12562634 HEXCLBXAEPFAST-UHFFFAOYSA-N 524.086 4.672 0 40 KJAB COc1ccc(CC(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1 13114495 BVNUMFUZMPGTMI-UHFFFAOYSA-N 509.628 4.676 0 40 KJAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1 16162765 TVAUNUGYZHVWJN-UHFFFAOYSA-N 506.657 4.699 0 40 KJAB COc1ccc(-c2noc(CN(C3CCCCC3)S(=O)(=O)c3cc(Cl)ccc3OC)n2)cc1OC 22256761 YZQZYRWSNKDFSU-UHFFFAOYSA-N 522.023 4.939 0 40 KJAB Cc1nc2sc([C@@H](c3ccc(Br)cc3)N3CCN(c4ccccc4F)CC3)c(O)n2n1 23157058 WWOZZZGQYRZIPN-LJQANCHMSA-N 502.413 4.618 0 40 KJAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)N4CCC(C(=O)NCCCC(=O)O)(c5ccccc5)CC4)c(C)c3cc12 38139904 ZKCKJUQEFZPWRE-UHFFFAOYSA-N 572.658 4.938 0 40 KJAB O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 60028227 WLIDYWAGQPNXID-UHFFFAOYSA-N 575.043 4.509 0 40 KJAB C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3)cc(OC[C@H](O)CN3CCOCC3)c2C(=O)O1 70680900 KFWCKUDCAUPUIK-ZOMHIWOFSA-N 551.680 4.819 0 40 KJAB CC1(C)CC[C@@]2(C(=O)O)[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O 96901917 SZXCDOOFLYYOCZ-HDYQOPGWSA-N 604.825 4.668 0 40 KJAB biogenic,in-vitro COc1ccccc1[C@H]1CC(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)=NN1C(=O)CN1CCOCC1 97985119 QUYOMQANDXJNQM-AREMUKBSSA-N 557.050 4.867 0 40 KJAB O=C1[C@@H]2[C@H](Cc3ccccc3)N[C@]3(C(=O)N(Cc4ccc(F)cc4)c4ccccc43)[C@@H]2C(=O)N1Cc1ccccc1 100164855 QNNLWPJUJVOMJH-FJRCWILLSA-N 545.614 4.584 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(CCc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1OC 100364378 QYMVYDGHAWIGQL-LJAQVGFWSA-N 543.668 4.566 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CSc2cn(CCNC(=O)c3ccc(OC)c(OC)c3)c3ccccc23)cc1 100820203 ZCNXGLYUSKCMNH-UHFFFAOYSA-N 561.660 4.996 0 40 KJAB COc1cc(-c2nc3n(n2)[C@H](c2cccc(Cl)c2)C(C(=O)Nc2ccccn2)=C(C)N3)cc(OC)c1OC 102903897 HYXSSLGVYZSHGP-HSZRJFAPSA-N 532.988 4.947 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@H]1c1ccccc1 111462829 FHIGDBLRADNBLW-FCKOQQNDSA-N 549.446 4.821 0 40 KJAB O=C(NCc1ccccc1)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c2ccccc2O1 222729792 FOMPMSXXAHVAIK-NDEPHWFRSA-N 625.625 4.996 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 222969570 NQTKGPZWRCSJJQ-DEOSSOPVSA-N 551.709 4.533 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 223024897 YXUXFDIDOVFIFL-AREMUKBSSA-N 586.552 4.815 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 223081528 ZKQOVRBTKXHDKR-AREMUKBSSA-N 616.578 4.823 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 223118132 ISWSVQUEFMLBOR-NRFANRHFSA-N 521.683 4.503 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 223184731 TUYMUYCGYDIHDU-LJQANCHMSA-N 542.529 4.873 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223192356 YOHNDADMVIHQBR-FGZHOGPDSA-N 580.589 4.944 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(OC)cc1 223546842 QRRUKAHBHWPBNW-RUZDIDTESA-N 525.443 4.613 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 223579187 LCHXMDIJVWLSMO-OAQYLSRUSA-N 562.947 4.989 0 40 KJAB CC(C)(C)c1ccc(OCCNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 223711051 MZJMGRDEWPBNMZ-UHFFFAOYSA-N 506.974 4.618 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223814776 CDZQSJRHZKPOAP-DEOSSOPVSA-N 570.127 4.758 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 223895789 BXLDOFBIDREITD-IBGZPJMESA-N 538.085 4.501 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 224126408 YTUVWLHIMMCUIX-MHZLTWQESA-N 600.579 4.690 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 224149383 LPPSZHJRYOUFJE-GDLZYMKVSA-N 579.763 4.716 0 40 KJAB CN(C)S(=O)(=O)N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)c1ccc(F)cc1 224344741 RLOSASRDZQIPRC-MHZLTWQESA-N 603.160 4.647 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 224532676 MOGLGEGMHJSRNP-MUUNZHRXSA-N 551.709 4.825 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224613823 BAJBABGTNNLTAI-MUUNZHRXSA-N 655.814 4.804 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 224625505 RHGDCPRTQZBPLG-OAHLLOKOSA-N 568.445 4.720 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224626297 REQKPXDNGUJFMN-MHZLTWQESA-N 616.180 4.678 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 224652729 IYWJHAXRWHNLAQ-NRFANRHFSA-N 590.117 4.933 0 40 KJAB COCc1cccc(NC(=O)c2ccc(CN(c3ccccc3Br)S(C)(=O)=O)cc2)c1 224730313 VUFNVEDRFBIHHL-UHFFFAOYSA-N 503.418 4.814 0 40 KJAB COC(=O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)o1 225414528 NFRXBAYFTULDDL-JWQCQUIFSA-N 548.646 4.677 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O 225646528 NBVZOPYJLIUKBG-PMERELPUSA-N 579.763 4.580 0 40 KJAB COc1cc(OCC(=O)O)c(-c2cc(-c3cccc(OC)c3OC)n(CCc3ccccc3)n2)cc1OC 257215902 CSDAPGIJFVKHLO-UHFFFAOYSA-N 518.566 4.958 0 40 KJAB COc1cc(OC)c(S(=O)(=O)N2CCC[C@](COc3ccccc3)(CC(=O)N3CCCCC3)C2)cc1Cl 257243386 IGSONIJOXLKXNM-MHZLTWQESA-N 551.105 4.610 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 260956832 KNVCOQBBYQCVFI-XMMPIXPASA-N 535.710 4.831 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 260973416 MYHZFIVDGPTEBZ-YADHBBJMSA-N 557.663 4.801 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 261015162 VDMBIDJHMUIKEK-VXKWHMMOSA-N 602.153 4.885 0 40 KJAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1OC 408556898 FGEWYZBCDOINRB-UHFFFAOYSA-N 510.490 4.541 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCC2 408614021 ZSHIZRSPTYTBLY-UHFFFAOYSA-N 609.122 4.927 0 40 KJAB O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 408614866 IYMSJHZINRSAOK-LJQANCHMSA-N 562.475 4.736 0 40 KJAB COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)sc2c1CCC2 408617477 GPVSKWSPKYILHO-UHFFFAOYSA-N 535.043 4.519 0 40 KJAB CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 408625579 VOOIDGWDOVAOFP-UHFFFAOYSA-N 530.046 4.665 0 40 KJAB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]21 408655866 RZUQJWAGRYJYDO-IBZMOEQTSA-N 515.791 4.540 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408832446 WVNHVPQZBNEJAD-VLOXRPPESA-N 602.974 4.952 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O[C@H](C)CC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408943432 SOASONSSGXHUDZ-OCALXHBFSA-N 564.704 4.771 0 40 KJAB COCCN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)c(I)c2)C1=O 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580.634 4.508 0 40 KJAB Cc1nn(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)CC3)cc2)c(C)c1Cl 103020436 PKQRFPMGEHTILF-UHFFFAOYSA-N 561.413 4.961 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1 103082644 FLWFMMITGUJPKT-QFIPXVFZSA-N 590.171 4.991 0 40 KJAB COc1ccc(Cl)cc1N1C(=O)/C(=C/c2sccc2C)N=C1SCC(=O)NC(=O)NC1CCCC1 103129919 ZKIDVTHKJPZUBV-ATVHPVEESA-N 533.075 4.964 0 40 KJAB COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 103233099 OUZUXYQXCXYGMX-IBGZPJMESA-N 522.989 4.987 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 108449109 RQTMGTAWTSXJEW-VWLOTQADSA-N 567.727 4.998 0 40 KJAB biogenic CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 222532681 JCAMSHGKAQXCRQ-FQEVSTJZSA-N 548.920 4.745 0 40 KJAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCCNc2ccnc3cc(Cl)ccc23)CC1 222616414 CAOMIEZYKWPRNT-UHFFFAOYSA-N 545.105 4.649 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCc1ccc(OC)c(OC)c1 222683498 NOSFFIRPCUSRCJ-DEOSSOPVSA-N 539.470 4.785 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1OC 222790043 ZOGFYTYUODWIRM-JOCHJYFZSA-N 501.410 4.767 0 40 KJAB COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 222951098 PBJSGNQNEBBLSV-HSZRJFAPSA-N 598.165 4.799 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 223049426 UCXUZUGFCZMKFP-JKSUJKDBSA-N 548.920 4.745 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223067434 KZJNTTZWUDGNKB-DEOSSOPVSA-N 565.736 4.839 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(OCc2ccccc2)cc1 223182326 XHHYVWPSYUKGOO-UHFFFAOYSA-N 529.043 4.842 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 223229774 WYFNPNZLNIMZRR-JKSUJKDBSA-N 593.371 4.854 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223333798 HMMZMWJUPSJVHF-VWLOTQADSA-N 578.518 4.751 0 40 KJAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)cc1C 223431381 OOZYFKDRMIZQMF-XMMPIXPASA-N 505.684 4.609 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223557576 OHLZUQNWLQDAEW-AJTFRIOCSA-N 556.128 4.661 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 223610357 LRSIBWRFYBQAST-RUZDIDTESA-N 580.509 4.675 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 224054017 BDQFQLSRBCTOTJ-DEOSSOPVSA-N 623.772 4.692 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 224192192 NQXFVFWWNYVTIN-HHHXNRCGSA-N 565.736 4.841 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 224339157 NYBXKSBGDRGPLB-QHCPKHFHSA-N 540.513 4.626 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 224504273 XCRPVEJJRRXUEQ-QHCPKHFHSA-N 600.565 4.643 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 224624622 MWAKHOGGVSGFGG-WJOKGBTCSA-N 591.774 4.940 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)c1 224710436 JHESTKBXZQYRBS-NRFANRHFSA-N 602.551 4.595 0 40 KJAB COc1cccc(OCCNC(=O)c2ccc(CN(c3cc(Cl)cc(Cl)c3)S(C)(=O)=O)cc2)c1 224737726 BEIBPDUHTYCCON-UHFFFAOYSA-N 523.438 4.777 0 40 KJAB COC(=O)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)cc1 224825488 USBDJUGEOUMNNB-CLJLJLNGSA-N 514.607 4.853 0 40 KJAB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 224912521 AHQCBCAHZQSRKC-MHZLTWQESA-N 594.133 4.574 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 224944199 ATFANXRJMWREEU-LJAQVGFWSA-N 549.737 4.812 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 225029012 LBOBOWQMNQFPBS-BJKOFHAPSA-N 553.700 4.970 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 225105360 WENJYHKUQMNTRF-HHHXNRCGSA-N 623.578 4.910 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 225137623 IWXJRAAYPKOBHQ-SANMLTNESA-N 539.673 4.663 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 225219831 MLDCYOYEADFJSD-XMMPIXPASA-N 522.111 4.528 0 40 KJAB CC(C)CSc1nnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)s1 225348111 WAEJETVKOXVTSF-CYBMUJFWSA-N 523.533 4.774 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225566907 KNAJGKNROFEOBH-AUSIDOKSSA-N 541.636 4.502 0 40 KJAB Cc1c(Cl)cccc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O 225638634 AISINJJLDUHNJX-INIZCTEOSA-N 548.920 4.663 0 40 KJAB Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CCCN(Cc3cc(F)ccc3C)C2)ccc1Cl 257318673 VOYXJYFPYZTUFS-NDEPHWFRSA-N 502.074 4.921 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)cc1 260717164 FLZSZRZMTLFNDF-HSZRJFAPSA-N 539.673 4.580 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21)c1ccc(Cl)cc1 260753603 ZVAICTJMZMXXNB-GDLZYMKVSA-N 620.127 4.963 0 40 KJAB Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)Nc1nnc(-c3ccc(Cl)cc3)s1)O2 260769980 UJSINLSXWZCHLE-OAQYLSRUSA-N 527.027 4.762 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)cc1 260880108 HUMHQFVOQSDFJQ-RUZDIDTESA-N 565.736 4.697 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 260982133 OIAVAWIJQSZCKL-PMACEKPBSA-N 571.662 4.592 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 261010307 UBIPRXXNGGSZEP-RNAHPLFWSA-N 579.763 4.964 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 261011445 GYAFMXQBPBEJLI-LXFBAYGMSA-N 570.155 4.824 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 261017121 HTTSCYXQGMTRPM-IDISGSTGSA-N 618.569 4.909 0 40 KJAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCSCc3cccc(Cl)c3)cc2)cc1 408548761 UQXIUMOIFBOAAL-UHFFFAOYSA-N 505.061 4.837 0 40 KJAB COc1ccc(CCNC(=O)C(=O)Nn2c(C(=O)Nc3ccc(C)c(Cl)c3)cc3cc(Cl)ccc32)cc1OC 408579433 NIMMJSJFJCSTRI-UHFFFAOYSA-N 569.445 4.955 0 40 KJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)ccc2C)c(C)c1 408617223 CEURHSOMKUWWHY-JXMROGBWSA-N 503.668 4.884 0 40 KJAB COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)cc1 408649061 XDSKHHDPNAQPAB-ZMYBRWDISA-N 503.382 4.663 0 40 KJAB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)cc1)Nc1ccc(F)cc1 408690662 WHJYKEOAKRKOOZ-KAVKEEAGSA-N 512.537 4.550 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1OC 408780867 MHSDZGWLLNGANF-UQQMVDRBSA-N 521.433 4.562 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC)c(Cl)c3)c(=O)n2[C@H]1c1ccccc1 408837220 AHCXSTIDTSUHAY-HCWVEKLQSA-N 545.060 4.988 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(Br)c(Br)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 408864604 YGZVQWIOXBKCJL-GAISBVLPSA-N 658.324 4.782 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccco2)c2cccc(C(F)(F)F)c2)cc1 408926186 PYDDPFKTVMXKBP-UHFFFAOYSA-N 512.575 4.852 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(C)cc3)c2=O)=N1 409029494 BEKRQMGWJVVQCQ-MGSPXPDISA-N 511.043 4.549 0 40 KJAB CCOC(=O)c1ccc(COc2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccccc3)C(C(=O)OC)=C(CC)N=4)cc2OC)cc1 409034529 HJXFCQYGPVHICQ-XGLKJEJJSA-N 612.704 4.563 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC(C)C)c(I)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409045169 HWSHNEBAURUWGY-JSXXSUDDSA-N 846.478 4.745 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)O)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409084860 QTFAYKHTEVEOTB-CCVBWGSMSA-N 667.534 4.926 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Br)c3O)c(=O)n2[C@H]1c1ccc(Cl)cc1 409094906 GQXCWCMOFVQICU-MRCZTLKWSA-N 595.346 4.879 0 40 KJAB COCCCNC(=O)Cn1cc(/C=C2\SC(=O)N(CC(=O)c3ccc(C)cc3)C2=O)c2cc(Br)ccc21 409128854 JCMABKNFOWBFTA-MSXFZWOLSA-N 584.492 4.784 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(Cl)cc3)n2C)sc2c1CCCC2 409363789 VDXWYAHTRFASGQ-AWEZNQCLSA-N 562.117 4.807 0 40 KJAB CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N1CCN(c2nc3ccccc3n2C)CC1 604404276 AXDABOAUGSIGCM-OGKKQKRFSA-N 696.849 4.925 0 40 KJAB biogenic COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(CN2CCN(c3ccccc3F)CC2)c1 2139732 WMPSEVNCLVTXND-LJAQVGFWSA-N 500.618 4.882 0 40 KJAB biogenic Cn1nnnc1SCC(=O)Nc1ccc2nc(SCC(=O)n3c4c(c5c3CCCC5)CCCC4)sc2c1 2156650 QKTPLZRQOAMERW-UHFFFAOYSA-N 553.739 4.542 0 40 KJAB COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCN(c5cccc(OC)c5)CC4)cc3N2)cc1 3011606 ZWVRUSYDEOICNV-FYYLOGMGSA-N 515.536 4.523 0 40 KJAB COc1ccc(NC(=O)O[C@@H]2CC[C@@]3(C)[C@H](CC(=O)NCc4ccccc4OC)[C@H](O)CC[C@@H]3[C@]2(C)CO)cc1 4236664 CLOIEOXVEAENPK-WUYFBLIHSA-N 554.684 4.513 0 40 KJAB biogenic,in-vitro CC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1cnc2ccccc2c1 6074713 OTJVLMHOWPBLJV-RUZDIDTESA-N 543.628 4.778 0 40 KJAB O=C1C(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccc(F)cc2)c2ccccc21 8712909 FSGIJVQWZXMCLD-LJAQVGFWSA-N 583.547 4.632 0 40 KJAB CCOc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)Nc2ccc(OC)c(OC)c2)cc1 9237171 LHKYPNGARGDBRL-UHFFFAOYSA-N 520.611 4.993 0 40 KJAB CCOCCCNC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 13585621 HRTBASMQDWKDOK-UHFFFAOYSA-N 531.074 4.966 0 40 KJAB Cc1c(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(=O)oc2cc(O)c(Cl)cc12 13606848 KVNIQVWQYQAFPW-UHFFFAOYSA-N 502.998 4.937 0 40 KJAB O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1cccc(Br)c1 32116698 VZUHKKFGQWGWTF-UHFFFAOYSA-N 509.017 4.807 0 40 KJAB CCOc1ccc(N2C(=O)C3=C(C(c4ccc(Cl)cc4)=NCCN3)[C@H]2c2ccc(O)c(OC)c2)cc1 36617830 VABRVOGSSUESFS-HHHXNRCGSA-N 503.986 4.887 0 40 KJAB COc1ccc(-c2csc3ncnc(N4CCN(S(=O)(=O)c5cccc(C(F)(F)F)c5)CC4)c23)cc1 38139541 LRYHVBOOASGQNX-UHFFFAOYSA-N 534.585 4.897 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)CCC(=O)Nc1cc(C)on1)c1ccc(OC)c(OC)c1 38145991 VTBDWUFSDNNIRV-NDEPHWFRSA-N 566.655 4.807 0 40 KJAB COCc1nn2c(nnc3c(=O)n(CCc4c[nH]c5ccc(F)cc45)ccc32)c1-c1ccc(Cl)cc1 40396174 NQJWBMDGHFBCIY-UHFFFAOYSA-N 502.937 4.769 0 40 KJAB O=c1/c(=C\c2cccc(O)c2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 58856618 RVZMEHAPZOPMKT-XSZPGNIMSA-N 515.432 4.787 0 40 KJAB O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1 60243894 FXCAZOBWLKNSCY-UHFFFAOYSA-N 534.635 4.665 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCc2ccc(F)cc2)cc1 97952067 OMLHUEUATRNPMV-DEOSSOPVSA-N 537.588 4.715 0 40 KJAB CCCOc1ccc([C@@H]2C(C(=O)OCC)=C(CSc3nnc(-c4ccccc4)s3)Nc3nnnn32)cc1 98048079 LBBODLLNUMVADP-OAQYLSRUSA-N 535.655 4.605 0 40 KJAB Cc1cc(OCC(=O)NC(=S)Nc2c(Br)cc(Br)cc2C(=O)O)ccc1Cl 100008975 XPDQFPBNZHLBCP-UHFFFAOYSA-N 536.629 4.764 0 40 KJAB COc1ccc(OC)c([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)c(F)c2)c1 100365229 SNYLCSJGHJVHJH-LJAQVGFWSA-N 545.615 4.729 0 40 KJAB COc1cccc(N2C(=O)[C@H]3[C@@H](c4ccc(OC)c(Br)c4)N(c4ccccc4)O[C@H]3C2=O)c1 102768305 LQOZLPOWRIIDBC-YTFSRNRJSA-N 509.356 4.517 0 40 KJAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(OC)c(S(=O)(=O)Nc3cc(Cl)c(OC)cc3OC)c2)cc1 102990499 YCQRSESGFLYSBD-INIZCTEOSA-N 577.055 4.913 0 40 KJAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 108220031 ZEMSNMZGQXKLNM-CYBMUJFWSA-N 508.431 4.835 0 40 KJAB O=C(Nc1ccc(I)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 113640259 HGSKTQCQRXPUPV-UHFFFAOYSA-N 553.249 4.779 0 40 KJAB CCc1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 113933850 PSEHVJBSNKHPSO-UHFFFAOYSA-N 519.019 4.762 0 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CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cc(C)c(Br)c(C)c1 223068086 LBGKLDWLDKVENN-INIZCTEOSA-N 526.269 4.761 0 40 KJAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223325116 XTNIJFLRNWUDMR-PMERELPUSA-N 547.721 4.746 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccccc1 223428129 UUUMFMCPBITFME-DEOSSOPVSA-N 565.736 4.787 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 223460501 JVHREFZFZWXUGN-PMERELPUSA-N 591.680 4.936 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 223622686 YQVPHFCMZURULQ-AJTFRIOCSA-N 586.154 4.669 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 223686159 ZKHZRXUNHSNDHN-GDLZYMKVSA-N 579.763 4.964 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 223826358 HWZOZXNTEQQQPQ-QFIPXVFZSA-N 588.554 4.500 0 40 KJAB 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520.511 4.952 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Oc2cc(C)cc3oc(=O)c(C)c(C)c23)cc1 2093157 KZVLQZFRXYIUJN-QHCPKHFHSA-N 505.592 4.522 0 40 KJAB biogenic CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(Br)cc2)cc1 3137077 IMZAHEHTUBHDIE-UHFFFAOYSA-N 512.389 4.895 0 40 KJAB C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(NC(=O)c3ccc(F)cc3)nc1[C@H]2CC(=O)NCc1cccs1 4222156 UUIMSPMMIHIZTA-JEPPUSMKSA-N 557.713 4.718 0 40 KJAB biogenic,in-vitro CCOCCCNC(=O)[C@H](c1ccc(C)cc1)N(Cc1cccs1)C(=O)c1ccc(NC(C)=O)cc1 8591177 ODVMOUQZMBTVKH-SANMLTNESA-N 507.656 4.941 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCc2cccc(C)c2)c2cc(C)cc(C)c2)cc1OC 10110712 VFSSHQOFYAFNSV-UHFFFAOYSA-N 510.656 4.573 0 40 KJAB CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(NC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)scc12 11757947 UGXNTYUHMALGOC-IZZDOVSWSA-N 570.023 4.955 0 40 KJAB COc1ccccc1[C@H](CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1)N1CCCC1 12526162 LBOBGCGANVWQJB-VWLOTQADSA-N 511.619 4.510 0 40 KJAB 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BGVSENPEUVZCND-KRWDZBQOSA-N 533.444 4.539 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C(C)C)c(OC)cc3C)c(=O)n2[C@H]1c1cccc(OC)c1OCC 97959576 QLPFCMNVPFVCMH-BIWBSIMWSA-N 564.704 4.646 0 40 KJAB CCCOc1cccc(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2C(=O)O)c1 100008925 VFEXADRUXGEIEB-UHFFFAOYSA-N 516.211 4.825 0 40 KJAB O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1)c1ccccc1 102749947 JJNKLCHCGHCRMY-JCYYIGJDSA-N 504.542 4.953 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cccc(OC)c3)n2-c2cccc(OC)c2)c1 103002189 UQRDMTZRIYQYRD-UHFFFAOYSA-N 581.720 4.713 0 40 KJAB COc1ccc(CCC(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1 103048993 KZTTTXHYVORFNU-UHFFFAOYSA-N 530.046 4.557 0 40 KJAB CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)n2[C@H](C)COC)cc1 103141226 HHNUNCBWCPCJHA-WOJBJXKFSA-N 559.758 4.865 0 40 KJAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2Oc1ccc(O[C@@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)cc1 103783005 VUNPZYPRLIAZSQ-CLJLJLNGSA-N 574.678 4.530 0 40 KJAB CN(C)S(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1)c1ccccc1F 113516504 LTBQZHBOYYNKEC-UHFFFAOYSA-N 552.672 4.907 0 40 KJAB COC(=O)COc1c(I)cc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)cc1OC 150471376 ITZLEEGPJBZTMY-MFOYZWKCSA-N 665.243 4.693 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 222588407 MYQKJXYSACCVCI-XMMPIXPASA-N 536.138 4.835 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 222871426 UAYPQTKHYHAURF-AREMUKBSSA-N 662.205 4.902 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 223034872 AENWTFCBDXBYHH-SANMLTNESA-N 616.578 4.823 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 223155527 COGLSAXSEPJTKX-RUZDIDTESA-N 542.101 4.706 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 223446830 XAJZTKNOLRYGLR-RUZDIDTESA-N 565.736 4.841 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 223503314 WNINIPFHQQQROT-SKCUWOTOSA-N 586.154 4.669 0 40 KJAB COc1ccc(C)cc1N(CC(=O)NCCOc1cccc2ccccc12)S(=O)(=O)c1ccccc1 223513909 PVPTWLPIIAJWOV-UHFFFAOYSA-N 504.608 4.547 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1cc(OC)cc(OC)c1 223690990 LLZQHROAQULIBM-PIKZIKFNSA-N 522.617 4.777 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 223726299 SQWXANBNDXPWFA-FUFSCUOVSA-N 567.727 4.763 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 223728900 JAMQFQHJQDQJPX-JIPXPUAJSA-N 604.144 4.809 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 223803406 UZQGPEORSXGABZ-QFQXNSOFSA-N 626.573 4.539 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223899355 BGWNAAARWONPDR-ZDUSSCGKSA-N 555.311 4.620 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223983425 DLBDFXDHQMPADO-SKCUWOTOSA-N 616.180 4.678 0 40 KJAB Cc1ccc(C)c(OCCNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3cc(C(C)(C)C)ccc3O2)c1 224026611 IQDGGOOOQRQNPG-HHHXNRCGSA-N 522.667 4.752 0 40 KJAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224062932 OQQYJXXOZBVESB-HSZRJFAPSA-N 556.128 4.748 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224133788 DCFFPRDJJXCRGV-QFIPXVFZSA-N 540.513 4.626 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 224686319 YFAIMQGULISAPN-QHCPKHFHSA-N 641.762 4.913 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(N4CCCCC4)cc3)Oc3ccc(C)cc32)cc1 224968320 QLQFWLGLGKGEDG-MHZLTWQESA-N 521.639 4.589 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 225023044 GNLNOYVNTOTYOI-LOSJGSFVSA-N 565.736 4.839 0 40 KJAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 225046924 DCPQCQUMOZPHBI-HSZRJFAPSA-N 556.128 4.830 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 225048593 ZVCFPIXEODNDHJ-AREMUKBSSA-N 527.731 4.634 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 225123209 UKJHYPIJGUCJKE-NDEPHWFRSA-N 586.154 4.588 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 225163145 SFBSTGZEOPBVCV-LJQANCHMSA-N 542.529 4.873 0 40 KJAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)cc1OC 225181926 BQICOZSPSGNZFY-SXOMAYOGSA-N 512.639 4.861 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 225184355 YUTNXEFQUBJJAY-GOSISDBHSA-N 629.415 4.844 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 225190984 FXXIYKDKFPXKIC-DEOSSOPVSA-N 536.138 4.837 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 225213051 GYXSWTYKJRFIGO-SANMLTNESA-N 600.137 4.640 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 225444711 YUQRNZXEEQQVMR-MUUNZHRXSA-N 600.181 4.979 0 40 KJAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccco3)c2C)ccc1NS(C)(=O)=O 225448617 RUNNQTDBXFSPHT-UIOOFZCWSA-N 535.695 4.998 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)[C@@H](C)C(=O)NC(C)C 225479726 WPUKJHKNHKVWLC-QFIPXVFZSA-N 586.552 4.895 0 40 KJAB CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)cc1 225487641 JWXSVSJBUJPOKC-SVBPBHIXSA-N 563.705 4.828 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 225655100 SHCGDVRYNJAUGN-HKBQPEDESA-N 609.789 4.806 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 225705005 HHEGTFFCUPCWNO-MHZLTWQESA-N 539.673 4.661 0 40 KJAB Cc1ccc(CN(CC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 226033952 FLZUKDSUILQPMY-UHFFFAOYSA-N 584.536 4.752 0 40 KJAB CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@H](C(=O)OC)[C@H]2c1cc2c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@@]3(CC)C=CCN4CC[C@]21[C@@H]43 245204492 CGXIIXQQCPGCFA-KQWPJKMKSA-N 778.947 4.945 0 40 KJAB CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@]4(O)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]3(C)[C@](O)(C(C)=O)CC[C@@]34O)C2)O[C@@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@@H]2C[C@H](OC)[C@H](O)[C@@H](C)O2)[C@H](C)O1 257682998 YLHXSKZGPASTOD-LZDORARJSA-N 923.147 4.589 0 40 KJAB biogenic,in-vitro COc1ccccc1[C@@H](C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 260813105 PRPSTXDGSOWQOQ-NIYFSFCBSA-N 508.640 4.826 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 260889358 QJQIGNIFJQXDQY-HHHXNRCGSA-N 600.579 4.688 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)N(C)C)c1 260929327 KGMVGHSXTRRUJB-SSEXGKCCSA-N 613.224 4.982 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 260979693 NVGABPDLCOUAOG-KCWPFWIISA-N 545.746 4.580 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 260993558 QKAGYYNSESCUNU-CUBQBAPOSA-N 595.762 4.930 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 261012771 HDWYXEFTZDXBMF-RNWIMVQKSA-N 583.726 4.545 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 261050186 LTPMNDOBPUAQAZ-IRPSRAIASA-N 607.773 4.825 0 40 KJAB CC(=O)Nc1cccc(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408607373 KGHIPBBEMXOQRD-UHFFFAOYSA-N 530.444 4.546 0 40 KJAB CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 408628330 WWAKWYVMWSWHHD-UHFFFAOYSA-N 514.047 4.964 0 40 KJAB COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 408648746 KDVMXTQRWGQHIQ-ZMYBRWDISA-N 503.382 4.806 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)c2=O)=N1 408871899 ZEGVVTIJKLXPBN-HDFSHUSISA-N 616.692 4.642 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccc(C(C)C)cc2)cc1 408923202 AQDCFQMTSNKIQX-UHFFFAOYSA-N 509.647 4.802 0 40 KJAB COC(=O)c1cccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(SC)cc3)C(C(=O)OC(C)C)=C(C)N=4)o2)c1 408927365 WBNODPGWPWZIPH-ZGOFBEGVSA-N 588.707 4.955 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2ccc(I)c(C)c2)c2ccccc2)cc1 408980854 TWMAHRUGDLDCPH-QFIPXVFZSA-N 534.419 4.956 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(C)=O)c(Br)c3)c(=O)n2[C@H]1c1cccc(OC)c1 408997101 RCQUAXBIJMIDIN-KYRGTEIWSA-N 633.520 4.632 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCC(C)C)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 409022311 MVGUYKTVRXEQFU-ZNRKBWGRSA-N 568.695 4.979 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409084439 PJLYORWSUHQQSI-KIHONOKQSA-N 591.911 4.622 0 40 KJAB O=C(O)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3Cl)c(I)c2)C1=O 409131366 XSHVWEQPWCVIKD-LZYBPNLTSA-N 529.739 4.645 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@H]1c1cc(Br)ccc1OC 409158136 KIAXDSLLKOAMLP-LUOGPBCWSA-N 732.653 4.717 0 40 KJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(I)cc3)C2=O)cc1Cl 409272311 GCJXNBGMTUTNAZ-PXNMLYILSA-N 512.756 4.928 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)ccc3OCc3cccc(C)c3)C2=O)o1 409403328 ZPUUEFABQQOKQZ-NDENLUEZSA-N 525.355 4.809 0 40 KJAB COc1ccc(CN2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OCCn1ccnc1 585272709 VPHUZUJDIIQOMK-HHHXNRCGSA-N 500.039 4.647 0 40 KJAB COc1ccc(-c2coc3cc(OC(=O)COC(=O)COCC(=O)OCC(=O)Oc4cc5occ(-c6ccc(OC)cc6)c(=O)c5cc4OC)c(OC)cc3c2=O)cc1 2061000655 FZXOJFLSKSUAIJ-UHFFFAOYSA-N 810.717 4.882 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1 888540 JGYVVBVZQGMWSC-AREMUKBSSA-N 548.669 4.531 0 40 KJAB Cc1ccccc1[C@@H](C(=O)NCc1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21 1372531 CWCCGUBGOMQBCQ-HKBQPEDESA-N 547.615 4.555 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccccc2)c2ccccc2C)cc1 1372533 FHABSDDXLNOIQX-HKBQPEDESA-N 533.632 4.835 0 40 KJAB CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 1750188 OICNDWHYEQHTJF-CMJOXMDJSA-N 504.004 4.542 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)cc1 1764980 SFCAMCBREFPCDJ-CLNXTWJPSA-N 576.678 4.660 0 40 KJAB O=C(O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 2068165 FOMULFRQQVCHJJ-SCAKWATOSA-N 553.206 4.795 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(-c4ccccc4)[nH]c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 2173716 FQBXFZWXOHICIS-FWESEHMYSA-N 579.678 4.964 0 40 KJAB Nc1c(C(=O)NCc2ccc3c(c2)OCO3)c2nc3ccccc3nc2n1-c1cccc(Br)c1 2291123 KDXONVXTVKABIL-UHFFFAOYSA-N 516.355 4.577 0 40 KJAB COCCNC(=O)c1ccc(Cn2c(SCC(=O)c3ccc(F)cc3)nc3ccc(Br)cc3c2=O)cc1 2973913 UYMOQKNQUOUXKH-UHFFFAOYSA-N 584.467 4.698 0 40 KJAB COC(=O)[C@@H](CO)NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1 5119247 URGKCDLCQYUTLA-LOYHVIPDSA-N 598.721 4.657 0 40 KJAB COc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccc(C)cc2)Cc2ccco2)cc1Cl 8614170 ABWSZOSQZJXYQN-UHFFFAOYSA-N 541.029 4.903 0 40 KJAB COc1cc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC 9347820 ZNZWFGHKFSSNFL-HSZRJFAPSA-N 506.942 4.921 0 40 KJAB O=C1S[C@H](Nc2ccccc2)C(=O)N1Cc1ccc(CN2C(=O)S[C@H](Nc3ccccc3)C2=O)cc1 9380755 FPKQKIADBHIRDF-VXKWHMMOSA-N 518.620 4.954 0 40 KJAB CC[C@@H](Sc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1)C(=O)NC1CCCCC1 9473728 PSVGANDABLRNAI-HHHXNRCGSA-N 534.726 4.795 0 40 KJAB C[C@@H]1Cc2nc(SCC(=O)N3CCC(Cc4ccccc4)CC3)n(Cc3ccccc3)c(=O)c2S1 11726554 ALYYOCMEABSUMB-HXUWFJFHSA-N 505.709 4.902 0 40 KJAB C[C@@H]1CCc2sc(C(=O)OCC(=O)Nc3cc(S(=O)(=O)N4CCCCCC4)ccc3Cl)cc2C1 12530587 JERNBNHRCUWGAU-MRXNPFEDSA-N 525.092 4.887 0 40 KJAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C(C)C)cc2)cc1 12702164 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COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)cc1 38754175 MRZGNDAJVLPDSB-RUZDIDTESA-N 524.639 4.565 0 40 KJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)c(Cl)c1 59331767 QUCDQLCCJLBDMH-UHFFFAOYSA-N 517.438 4.984 0 40 KJAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccccc2)CC1 70687070 CQHMASGURXLUGM-GHPJVDHGSA-N 592.781 4.769 0 40 KJAB biogenic COc1ccc(Cn2c(=O)c3oc4ccccc4c3n(CC(=O)Nc3ccccc3C(F)(F)F)c2=O)cc1 97999312 YVMRDUGBAITBJH-UHFFFAOYSA-N 523.467 4.624 0 40 KJAB O=C(C[S@](=O)CC(=O)N(c1ccc2c(c1)OCO2)[C@@H](C(=O)NC1CCCCC1)c1cccs1)Nc1ccc(F)cc1 100285582 ASRRPWDFVKODKQ-GIEABIOQSA-N 599.706 4.527 0 40 KJAB COc1ccc2cc([C@@H](c3nnnn3CCc3ccccc3)N3CCN(c4cc(Cl)ccc4C)CC3)c(=O)[nH]c2c1 100342401 LLOPHCXDFBFOPG-LJAQVGFWSA-N 570.097 4.639 0 40 KJAB Cc1ccc(C)c(N(C(=O)/C=C/C(=O)Nc2cc(C)on2)[C@@H](C(=O)NCCc2ccccc2)c2ccncc2)c1 100402841 AYNMFJUWVPTHFD-DZWLFIIDSA-N 537.620 4.623 0 40 KJAB CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3ON2c2ccccc2)cc1OC 102751486 BZYYLYYTEBWSRW-KWXIBIRDSA-N 502.567 4.934 0 40 KJAB O=S(=O)(Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc2c(c1)OCCO2 102972408 OLJNIOBWFGXKFA-UHFFFAOYSA-N 564.085 4.703 0 40 KJAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)c1 103017051 SBRIHRNNCYXPQF-UHFFFAOYSA-N 592.655 4.603 0 40 KJAB CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC 103022851 UJUWGUGQPXFAAF-UHFFFAOYSA-N 574.659 4.559 0 40 KJAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(Cl)c(OC)c(Cl)c3)cc2Cl)CC1 105316570 OQLVFYQBBQXYCS-UHFFFAOYSA-N 529.877 4.841 0 40 KJAB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccc(Br)cc1 105317890 JIBCTWGZXOKSLI-UHFFFAOYSA-N 547.862 4.785 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 111459972 SKSSQCTVLFSLEC-LMSRTUJASA-N 609.498 4.838 0 40 KJAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CC(=O)O)C(=O)[C@H]45)[C@H]23)ccc1OCc1ccc(Cl)cc1Cl 150489213 NBCFFWVYBFDYMF-WPUMMUGBSA-N 647.558 4.889 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 222806948 VPAPNHAQCHHIHJ-MHZLTWQESA-N 572.127 4.876 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 222960443 ZVGGMJHKGXGMFE-QHCPKHFHSA-N 539.673 4.663 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 223016260 TTXKJTVEJKVVDU-SFHVURJKSA-N 572.953 4.511 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 223056815 GAARFRNRNOPQKG-RUZDIDTESA-N 565.736 4.841 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 223106968 XSIRJQYMLCMJHN-VWLOTQADSA-N 595.762 4.850 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 223246579 XNSNOUZOHDNNTR-NHCUHLMSSA-N 566.562 4.636 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 223414324 HFUARNAGANZDPC-HKBQPEDESA-N 633.742 4.814 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 223491081 YRBASKVVBIORMT-DEOSSOPVSA-N 565.736 4.787 0 40 KJAB Cc1c(Cl)cccc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 223817409 IXIAZPSNLXTWNV-SFHVURJKSA-N 540.513 4.544 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 223891915 OHZDMPDRIBDOPU-QFIPXVFZSA-N 586.552 4.896 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223929401 WRZKNVQYMBZZSN-QHCPKHFHSA-N 600.565 4.992 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223969607 WXUSKFFZDFBYRN-MUUNZHRXSA-N 671.813 4.649 0 40 KJAB COc1ccc(CN(C(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1 224064465 XVPQBFVPOSUBHP-NRFANRHFSA-N 549.693 4.613 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 224074117 WBXDIHVYBNBCEW-IBGZPJMESA-N 525.646 4.600 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 224118393 RNMPPOJYLJZIJJ-KRWDZBQOSA-N 588.515 4.606 0 40 KJAB COc1cccc(N(CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)S(=O)(=O)c2ccc(C)cc2)c1 224179796 KAONYKUETCFMNT-UHFFFAOYSA-N 508.625 4.665 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 224522777 XIWXTUDSJPEHCN-MHZLTWQESA-N 623.578 4.912 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)C)cc1Br 224544057 JCEUNQFTBGJERH-JOCHJYFZSA-N 505.453 4.903 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 224571619 UVGQIXSWQVHSNL-GDLZYMKVSA-N 623.772 4.774 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 224686825 SBZFSHQCAXWCHO-QFIPXVFZSA-N 633.552 4.738 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CCc1ccc2c(c1)OCCO2 224730344 BOLIENAMXAUHQK-GOSISDBHSA-N 515.448 4.629 0 40 KJAB CCc1ccc(OCCNC(=O)c2ccc(CN(c3cc(Cl)ccc3OC)S(C)(=O)=O)cc2)cc1 224762656 VAVFHKNMLLITBC-UHFFFAOYSA-N 517.047 4.686 0 40 KJAB CCOc1ccccc1N(Cc1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1)S(C)(=O)=O 224798585 HYTXGEUVJAVSDT-UHFFFAOYSA-N 521.683 4.577 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 225086019 JDUPEBZYADVUMM-MUUNZHRXSA-N 551.709 4.533 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 225141169 FIZNUBZGCKFGAQ-NDEPHWFRSA-N 595.762 4.850 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 225206036 MEOXOWYDWVWKDC-JOCHJYFZSA-N 616.578 4.987 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 225217977 ZJOCDXJOWNODAM-DHIUTWEWSA-N 539.673 4.661 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)ccc1OC 225301697 DJUWFZHUOJYKMQ-VSGBNLITSA-N 527.650 4.951 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 225396265 NXAGFIRYDASYIF-DNQXCXABSA-N 581.735 4.540 0 40 KJAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 225437441 MLPDYYDERFXLFZ-GOSISDBHSA-N 503.020 4.738 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 225505513 VSXJDXPITLBTHK-GHTZIAJQSA-N 542.529 4.790 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 225622721 WWEHUHOBEUQJTO-LJAQVGFWSA-N 636.170 4.939 0 40 KJAB COC(=O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)cc1 225658384 DCJSZAILBNVKPR-WUFINQPMSA-N 539.661 4.969 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 225707825 RRSHGKSNEYDBDM-MHZLTWQESA-N 537.682 4.577 0 40 KJAB COc1ccc(CCC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NCC(C)C)cc1OC 225724776 QFZTXCRGWHFFFI-SFHVURJKSA-N 505.453 4.588 0 40 KJAB CCN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)C[C@H](C)C2)[C@H]1CCS(=O)(=O)C1 254800568 VICSLHRZPJOTPX-FKIAJTMASA-N 562.688 4.559 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 260972486 AAHNCVNAPFRPBF-GIGWZHCTSA-N 567.727 4.763 0 40 KJAB CC(=O)c1cccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 260987402 MLUWXLSJEMUUNJ-MUUNZHRXSA-N 598.165 4.863 0 40 KJAB Cc1cc(I)cc(C)c1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2O)n1 408544766 XOOHVRNVJFPZDL-UHFFFAOYSA-N 559.227 4.892 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1cccc(C(F)(F)F)c1 408593454 NSDBTOFTAXVMAT-UHFFFAOYSA-N 518.557 4.803 0 40 KJAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c(C)c2)CC1=O 408659285 KMWFEOYSTQDVCK-JRFVFWCSSA-N 502.611 4.758 0 40 KJAB CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(C)c(Br)cc2C)cc1 408665147 UURGYFSGKPFZFY-UHFFFAOYSA-N 519.392 4.533 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccccc3OC(C)=O)c2=O)=N1 408782246 GJTNWOTWEVLMQX-CMISJSSVSA-N 532.662 4.627 0 40 KJAB COc1cc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)cc(I)c1O 408802341 ZHJZMGLWXXYESH-UHFFFAOYSA-N 501.753 4.730 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)c2=O)=N1 408839682 BVRWSTLIPRDVQM-IYVASWNSSA-N 621.067 4.919 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC(C)=O)c(OCC)c4)c(=O)n32)cc1 408850796 RGXBCBRRWIMYHW-DDBFQISPSA-N 597.693 4.597 0 40 KJAB CCOC(=O)COc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OCC 408934202 BIMMKQDMLFQNLB-RBXKPUFLSA-N 643.158 4.580 0 40 KJAB CCOC(=O)c1ccc(COc2ccccc2/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1 408936813 GFCYIUIRIKJPMU-DUIUNGFMSA-N 642.730 4.571 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408983962 LMFNZQWDXKLSQV-ZEKHAJRLSA-N 591.085 4.615 0 40 KJAB COc1ccc(OC)c(NC(=O)[C@@H](Cc2cc(I)c(O)c(I)c2)NC(=O)OC(C)(C)C)c1 409003649 TZDXTHUNLYKHSZ-QGZVFWFLSA-N 668.266 4.693 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCc3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409030689 FFSXWGBCKPNVTP-DJPQNNMESA-N 707.201 4.990 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409049304 YXLGOYNLVQFVMO-YXDQGSNCSA-N 585.520 4.665 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409146474 SBEAUUITIFYIRN-RDRPBHBLSA-N 630.723 4.841 0 40 KJAB CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 409163088 LSQBTAUWNNFJBA-HSZRJFAPSA-N 523.659 4.721 0 40 KJAB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc5c(c4)OCCO5)C3=O)o2)cc1 409206200 NDEMKIVHRIAXHJ-YDZHTSKRSA-N 504.520 4.595 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1 409378647 QWKHEDJCSFKVJB-BKUYFWCQSA-N 545.013 4.675 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(I)c1OC(C)C 409380821 IPNUJMKIOUHFHE-MTJSOVHGSA-N 592.455 4.708 0 40 KJAB COCC(=O)N1CCCN(C(C)C)CCN(C(=O)Cn2nc(C(F)(F)F)cc2C2CC2)Cc2ccc(Cl)cc21 643564980 AKLDDZZZVVFQLC-UHFFFAOYSA-N 570.056 4.555 0 40 KJAB Cc1ccccc1N(C(=O)Cn1nnc(-c2cccs2)n1)[C@H](C(=O)NCc1ccc(F)cc1)c1ccc(O)cc1 888041 NYQFGVTXWASHET-MHZLTWQESA-N 556.623 4.646 0 40 KJAB COc1ccc(CCN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)Cc2nnnn2C2CCCCC2)cc1OC 926773 QOUPCCLQSBOKLN-UHFFFAOYSA-N 530.673 4.899 0 40 KJAB CCO[C@@]12c3ccccc3N(S(=O)(=O)c3ccc(C)cc3)CC[C@@H]1C2(Br)Br 1723104 BYAJMGZNYGKAKO-OALUTQOASA-N 515.267 4.942 0 40 KJAB CCOc1ccccc1C(=O)NC(Nc1sc2c(c1C(N)=O)CCCC2)(C(F)(F)F)C(F)(F)F 2050098 JPELPWFXSAYCTI-UHFFFAOYSA-N 509.472 4.787 0 40 KJAB CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3cc4c(cc32)OCO4)cc1 2688516 VNOXQTKZNPQKKS-UHFFFAOYSA-N 504.926 4.652 0 40 KJAB CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(CC)cc3)c(=O)c3cc(OC)c(OC)cc32)cc1 2690731 NTLKELBHJYVDPM-UHFFFAOYSA-N 514.578 4.850 0 40 KJAB CC[C@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn12)C(=O)Nc1cccc(OC)c1 2969252 KIPHSXSEFHDUDV-QHCPKHFHSA-N 515.643 4.852 0 40 KJAB O=C(COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)Nc1ccccc1F 3223263 CQDDACLPEUWBSZ-CCEZHUSRSA-N 509.493 4.980 0 40 KJAB CC1(C)C[C@@H]2C[C@@](C)(CN2S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccc(Br)cc3F)c2)C1 3235659 XMJMMRMPATXQNN-IQGLISFBSA-N 567.477 4.973 0 40 KJAB CC1(C)O[C@H]2[C@@H](n3cnc4c(N)ncnc43)O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O1 4823721 WEESNKCZWANQSJ-KLCYUCRKSA-N 549.631 4.835 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3ccc(Cl)cc3)[C@H](C(=O)NC3CCCCC3)c3ccncc3)n2)cc1 6279911 DORSXSIMGSGHGT-MHZLTWQESA-N 544.059 4.920 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)CNC(=O)c1cccs1)c1ccc(OC)cc1 6462085 HEXNHLAMQJEGIV-RUZDIDTESA-N 523.655 4.574 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(Cl)cc(Cl)c3O)c2=O)=N1 8443682 GLGODNVPKDMUGL-RQLGBQGVSA-N 536.440 4.886 0 40 KJAB Cc1ccc(C(=O)[C@H]2[C@@H](c3cn(-c4ccccc4)nc3-c3ccccc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 8915336 WLHYSJSSHHCULO-LSCGWGKXSA-N 520.511 4.952 0 40 KJAB CCSc1nnc(NC(=O)CSc2nnc(NC(=O)c3ccccc3C(F)(F)F)s2)s1 9368223 LJXZHUXBHBMXMH-UHFFFAOYSA-N 506.582 4.504 0 40 KJAB CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(=O)COc3ccc(Cl)cc3Cl)scc12 11757996 CPNDVGOEGJLCKK-UHFFFAOYSA-N 548.404 4.957 0 40 KJAB Cc1ccc(N(C(=O)CSCC(=O)Nc2cc(C)on2)[C@H](C(=O)NC2CCCCC2)c2ccco2)cc1 12475544 RAHQJYYBSREKSY-SANMLTNESA-N 524.643 4.780 0 40 KJAB Cc1ccc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)Nc1ccccc1Cl 12528962 KSDFPODMUALKKW-UHFFFAOYSA-N 516.063 4.720 0 40 KJAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)C[C@H]1Sc2ccccc2NC1=O 12529569 DLUWNBXMTVUUAQ-HXUWFJFHSA-N 510.593 4.577 0 40 KJAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N/C=C/n3cnc4cc(C(F)(F)F)ccc43)c2)C1 12559801 SHSYDWVJHFLGMN-PIIXRYACSA-N 506.550 4.580 0 40 KJAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc(SCC(=O)N[C@@H](C)CCc2ccccc2)s1 12564932 UKSAEZYEDUPGLM-PMACEKPBSA-N 528.769 4.997 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(C)=O)cc1 13024628 GYOGZOYXSFLLJV-MUUNZHRXSA-N 527.625 4.722 0 40 KJAB COC(=O)c1ccc(NC(=O)CN2C(=O)C[C@H](c3ccc(OC)c(OC)c3)Sc3ccccc32)cc1 16959743 XWQZSPZOWOAITL-XMMPIXPASA-N 506.580 4.699 0 40 KJAB Cc1cccc(OCC(=O)Nc2cc(-c3ccc(OCC(C)C)cc3)nn2[C@@H]2CCS(=O)(=O)C2)c1C 41155977 JYUPVAZDMXRVAE-JOCHJYFZSA-N 511.644 4.579 0 40 KJAB CC[C@H](c1nnnn1C1CCCC1)N(Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O 57641117 IGGRSDBFXWRGQG-AREMUKBSSA-N 502.619 4.800 0 40 KJAB O=C(c1ccc(F)cc1)N1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 64789821 GCBGBHOIMWQREL-UHFFFAOYSA-N 515.950 4.522 0 40 KJAB CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccc(C)cc1 70699088 NMODYODRCDDUFF-YSWUUNNPSA-N 534.660 4.794 0 40 KJAB biogenic CCOc1ccc(OCC(=O)Oc2coc(CSc3nnc(NC(=O)C(CC)CC)s3)cc2=O)cc1 97990862 CYZPTJKVIRCVOR-UHFFFAOYSA-N 533.628 4.541 0 40 KJAB COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2-c2ccc(C(C)=O)cc2)c1 98008159 QPPYUNSWMZDEKL-UHFFFAOYSA-N 598.685 4.683 0 40 KJAB O=C(NCc1ccccc1)[C@H](c1cccs1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1F 100290348 GDDKMNPJTXAVIR-SANMLTNESA-N 544.587 4.771 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)c(=O)n2[C@@H]1c1ccccc1 100304010 RSLXEBSZKRVEOS-OGRZUZBBSA-N 559.043 4.671 0 40 KJAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccc(F)cc2)cc1 100380350 KEDDVNGOQOGWOG-RUZDIDTESA-N 573.712 4.609 0 40 KJAB COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1 100389242 YAQGNLBMPKRQQV-UHFFFAOYSA-N 586.331 4.793 0 40 KJAB O=C(CSc1nnc2n(Cc3ccc(F)cc3)c3ccccc3n12)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1 100449193 YCAAIWIVERJPLZ-UHFFFAOYSA-N 578.695 4.823 0 40 KJAB COc1ccc(NC(=O)Cn2cc(-c3nc(-c4cccc(F)c4)no3)c(=O)c3ccc(C)nc32)cc1Cl 101311608 UTFWHCHISHEPPB-UHFFFAOYSA-N 519.920 4.862 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OC)c(I)c4)c(=O)n32)cc1 150362961 YESJYDLBRIBHLQ-CSJROMOCSA-N 651.526 4.886 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4cccc5ccccc45)c(OC)c3)c(=O)n2[C@@H]1c1cc(Cl)c(O)c(OC)c1 150522971 OGKWTBUZJDXYOY-PANBRXNZSA-N 700.169 4.955 0 40 KJAB COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1S(=O)(=O)N1CCCCC1 215964405 LWYZOSRHMVNDEM-UHFFFAOYSA-N 564.085 4.576 0 40 KJAB COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)cc1 216318150 ADRIDPGZWXURJC-DEOSSOPVSA-N 537.520 4.903 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 222515543 FAIFVKMPFHMMNH-ODAWRTACSA-N 572.171 4.737 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 222761463 ZKLVBSNDZDBIAJ-VWLOTQADSA-N 576.546 4.762 0 40 KJAB O=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2)c1ccc(Br)cc1 222986835 KMQKYCMMXSRIND-UHFFFAOYSA-N 527.849 4.655 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 223009283 VUMJFRNFYJWDHV-LJQANCHMSA-N 592.943 4.851 0 40 KJAB COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)N(Cc2ccc(Cl)cc2)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 223080089 ABIIJXGEOZUQAZ-PGUFJCEWSA-N 706.261 4.747 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223126211 IFHDSLOJHJTOPY-MUUNZHRXSA-N 570.155 4.971 0 40 KJAB Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)o2)c(Br)c1 223203475 QMWZXDZBQCCEDY-RPWUZVMVSA-N 545.478 4.938 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 223208638 GKFLBSCGGNNJQO-RUZDIDTESA-N 560.091 4.845 0 40 KJAB COc1ccc(CCNC(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1OC 223298607 BTHJUSRCJFPXDR-UUWRZZSWSA-N 629.779 4.594 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 223491178 UAPXAJDFSVJRNR-HHHXNRCGSA-N 574.118 4.802 0 40 KJAB CCCc1ccc(OCCNC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 223599118 BVZIBRGSMMLJNY-UHFFFAOYSA-N 510.656 4.655 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 223673267 BXTFGBNQQPVIEH-JIPXPUAJSA-N 604.144 4.809 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 223762298 AOHQSSRGIZJJPF-LJAQVGFWSA-N 585.726 4.914 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 223822889 BPXDKIMTBIEWSV-NRFANRHFSA-N 534.122 4.671 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 223827092 BUHXOZJYNSRZNZ-LJQANCHMSA-N 528.074 4.726 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 223972454 ZHAYRUDUPLDIHI-OAQYLSRUSA-N 566.562 4.556 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 224330258 BWCCPWLHMMSROW-HHHXNRCGSA-N 572.127 4.796 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 224520016 RHKWBGCGPYYMNO-NDEPHWFRSA-N 535.710 4.770 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 224572536 XNYOITQVGHCVKG-LJAQVGFWSA-N 613.802 4.955 0 40 KJAB CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NCc2cccc(CN3CCOCC3)c2)cc1 224726736 HRQRMVYGDUZDOR-UHFFFAOYSA-N 562.519 4.722 0 40 KJAB Cc1ccccc1N(CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 224979816 JLAHLPPGGUZDOE-LJAQVGFWSA-N 567.727 4.845 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c1 224982435 NGDWTOHOXQUVJB-VWLOTQADSA-N 607.773 4.808 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 224983928 XFGSHEJBAXAVNT-XZOQPEGZSA-N 539.673 4.661 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225050889 NUVCKEUTNZAJGS-AREMUKBSSA-N 634.582 4.695 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 225088044 AHKGTTLWJLBJQP-HHHXNRCGSA-N 572.127 4.878 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 225153167 JUUYLTUECAOXIF-JOCHJYFZSA-N 602.153 4.886 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 225219094 WJGQNNQBVJXCJS-IBGZPJMESA-N 548.492 4.660 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)cc1C 225260594 GGJIHDFFNOKPRO-RTWAWAEBSA-N 517.474 4.976 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 225498141 KSWBKXWIRLNUEK-HHHXNRCGSA-N 618.569 4.911 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225537157 RTMSIEPZBHRVID-WMZHIEFXSA-N 541.636 4.502 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225559250 GHJYRBBFZTWXEG-HKBQPEDESA-N 629.779 4.902 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 225638903 WKRKVYJIHUCDTF-SANMLTNESA-N 576.546 4.926 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 225640105 NUNKAHMHMQXVSV-NDEPHWFRSA-N 570.155 4.889 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 225644879 XHYFLJZKFARQRH-MUUNZHRXSA-N 630.605 4.780 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)c1 225654393 ISLWQVVPQLSVRI-QFIPXVFZSA-N 572.127 4.794 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 225654490 SQLAPCASOWFXSC-AJTFRIOCSA-N 659.777 4.778 0 40 KJAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 226073175 MKANJGAXJDJBMC-CQSZACIVSA-N 542.293 4.590 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1 260782088 KNHBJNMIIYZPCN-XMMPIXPASA-N 593.746 4.684 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 260902712 DZTOFHWYSCGGCB-MSOLQXFVSA-N 572.953 4.509 0 40 KJAB CN(C)S(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccccc1 260936616 QXHUBEKIBQIMCR-SSEXGKCCSA-N 594.753 4.528 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 260962810 LHRXQLLHHXUKGV-RPWUZVMVSA-N 553.700 4.970 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 260985079 OWOJTBFYHLCZGO-NYHFZMIOSA-N 564.482 4.760 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 260990332 PUHREQDEBFMBAO-HSZRJFAPSA-N 581.735 4.540 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 261008372 SZNUKKRWJBBFQR-SVEHJYQDSA-N 609.789 4.972 0 40 KJAB COc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1NC(=O)c1ccc(Cl)cc1Cl 408558500 JKIIMZGRTJAAHV-UHFFFAOYSA-N 550.464 4.774 0 40 KJAB Cc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c(Br)c1 408577706 JAKAFCPINDJZST-UHFFFAOYSA-N 628.277 4.842 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCc4ccccc4C3)c(Cl)c2)cc1 408636865 VDPSQCOOUVTRLX-UHFFFAOYSA-N 501.004 4.503 0 40 KJAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1Cl 408645155 HMRNERKKOBXLCP-BKOMJCAWSA-N 503.769 4.694 0 40 KJAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)Nc1cc(C(F)(F)F)ccc1Cl 408687336 UNTIERZRYYAOIS-MFRYECHYSA-N 520.891 4.690 0 40 KJAB COc1ccc(NC(=O)COC(=O)CCCCCN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c(OC)c1 408687903 VTOQFUGOCFAPAZ-FBVYBBNNSA-N 582.653 4.638 0 40 KJAB S=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CCN(c2ccccn2)CC1 408979145 PBEWEYKOAHRLEZ-UHFFFAOYSA-N 504.623 4.668 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc(C(=O)O)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409038881 WARBVSJJXGLHJG-GAPLDZIPSA-N 751.210 4.688 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c2ccccc2)cc1 409141770 IXRJFCJLGUILGQ-UHFFFAOYSA-N 528.074 4.591 0 40 KJAB 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CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 260950997 JTSYHERXCKPOEK-VXKWHMMOSA-N 536.138 4.835 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1C 260987549 MUCRTWCMALWVTL-MUUNZHRXSA-N 567.727 4.763 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 261000417 FCDNZJSCOBFXJM-HXUWFJFHSA-N 580.589 4.890 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1Cl 261011794 SQEJGPWGKYKAGL-LJQANCHMSA-N 568.111 4.510 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 261016988 VNQBMJZAEGWLKW-HOTGVXAUSA-N 593.371 4.854 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1I 408544060 GVMKDXSHWPBYNZ-UHFFFAOYSA-N 623.288 4.664 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)cc1 408549518 ZHGWGZNIZDKULQ-UHFFFAOYSA-N 551.646 4.939 0 40 KJAB CCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 408579820 PHKGZGJWWGKUCV-QGZVFWFLSA-N 504.974 4.893 0 40 KJAB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1Cl 408583552 IGQQPVGNVJTUPW-OAQYLSRUSA-N 507.837 4.939 0 40 KJAB COc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)c(OC)cc1Cl 408597507 XDCNLGQIMIEUNZ-GFCCVEGCSA-N 507.823 4.703 0 40 KJAB O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 408608606 OEWXOENSURKEMT-NDEPHWFRSA-N 512.591 4.631 0 40 KJAB COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(Br)c(OC)c(OC)c3)C(=O)O)o2)c1 408631796 GKYXQSGKZNXYKL-IDUWFGFVSA-N 523.361 4.751 0 40 KJAB O=C(O)/C(=C/c1cc(Br)c(N2CCOCC2)o1)Sc1nnc(-c2ccc(Cl)cc2)o1 408632663 GPCFYBJHQSSENK-GDNBJRDFSA-N 512.769 4.800 0 40 KJAB COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)S(C)(=O)=O)cc1Cl 408711535 UXEWWDFVSBTXQR-UHFFFAOYSA-N 566.101 4.643 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(SC)c2)c2cc(Cl)ccc2OC)cc1OC 409025946 BFHJCXMGAFTZSG-UHFFFAOYSA-N 537.059 4.922 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC(C)C)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409040715 UGIGDTUFSZWOFQ-UNRSNATKSA-N 764.635 4.539 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(I)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409077068 CRPFKFKSGJWEOU-UIHGZKEASA-N 752.219 4.928 0 40 KJAB Cc1ccc(CN(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccc(Br)cc2)cc1 409079047 KLXSILPAEHZQQP-UHFFFAOYSA-N 509.372 4.865 0 40 KJAB Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)NC[C@@H]4CCCO4)c4ccc(Br)cc34)N(C)C2=S)cc1C 409129081 QQUHJNUDXSUVBH-KWNLIYPVSA-N 581.536 4.920 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409142223 CJHXAXRSDRMPSE-GMPUOFRTSA-N 594.162 4.908 0 40 KJAB CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1I 409142527 AHFZFSYYHWGREP-WOJGMQOQSA-N 529.396 4.850 0 40 KJAB Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)Nc4ccc(Cl)cc4Cl)cc3)C2)cc1 409171018 YKMCPBPKQGUYTI-IBGZPJMESA-N 526.420 4.989 0 40 KJAB COCCCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)C1=O 409229296 MULULZTUJGGHDV-DEDYPNTBSA-N 504.992 4.747 0 40 KJAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)Nc1ccc(Br)cc1F 409266642 QQVCCWOVIMBHGS-UHFFFAOYSA-N 527.799 4.738 0 40 KJAB CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1ccc(Cl)cc1C 409362924 HKTNZYOUONPSBN-DHZHZOJOSA-N 504.443 4.974 0 40 KJAB CC(C)C(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(c3ncc(C(=O)O)c(CCc4ccc(F)cc4)n3)CC[C@@H]21 409412954 XFFXRPLTSHBRPH-SLQPCKNISA-N 534.607 4.715 0 40 KJAB O=S1(=O)C[C@@H](O)[C@@H](N(c2ccc(NS(=O)(=O)c3cc(Br)ccc3Br)cc2)S(=O)(=O)c2cc(Br)ccc2Br)C1 575424985 WNUMEHUDBHHLKA-VQTJNVASSA-N 838.210 4.891 0 40 KJAB CN(Cc1ccccc1)C(=O)C[C@]1(COc2ccc(Cl)cc2)CN(C(=O)CCCc2ccncc2)CCO1 585285803 MQEJRISUFAXPAK-SSEXGKCCSA-N 536.072 4.783 0 40 KJAB CC(=O)N1CCCN(Cc2cccnc2)CCCN(C(=O)CCN(C)c2ccc(F)cc2)Cc2ccccc21 643580005 NZFWDZMCEQFTGR-UHFFFAOYSA-N 531.676 4.725 0 40 KJAB COc1cc(CNC(=O)c2ccc3c(c2)CNCCCCCCCN3C(=O)c2cccnc2)cc(OC)c1OC 643583512 FOBFLGNBNQFETL-UHFFFAOYSA-N 546.668 4.738 0 40 KJAB CCOC(=O)N1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(=O)Nc2ccc(OC)cc2OC)C1 644043 KYCLGQBUPHVUNE-UHFFFAOYSA-N 523.611 4.713 0 40 KJAB COc1ccc(OC)c([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N([C@H](C)CCc4ccccc4)CC(=O)N32)c1 2106319 HTICUIIIGGXXGV-APMFXMBPSA-N 523.633 4.891 0 40 KJAB biogenic COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4Cl)CC(=O)N32)cc(OC)c1OC 2117952 WNVBSENCDNHGSA-NEKDWFFYSA-N 546.023 4.732 0 40 KJAB biogenic COc1ccccc1CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc(Br)c2)C1=O 2118724 RGUOGEKUHGXWCM-WNCULLNHSA-N 530.422 4.824 0 40 KJAB biogenic CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(NS(=O)(=O)c4ccc(NC(C)=O)cc4)cc3)cc2)cc1 2131827 BUMRZQBXTQQPAD-UHFFFAOYSA-N 594.671 4.997 0 40 KJAB O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)Nc1nc2c(F)c(F)c(F)cc2s1 3310655 CWQIIFXUTHTAQR-INIZCTEOSA-N 558.563 4.779 0 40 KJAB COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1 3369114 APHWTXKQVRRIGW-UHFFFAOYSA-N 530.867 4.546 0 40 KJAB Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1ccc2ncccc2c1 6444008 JATSNGNXYYXKIR-RUZDIDTESA-N 542.665 4.518 0 40 KJAB COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1 6879036 AOBNFZJRXLJINQ-JGSRLKPESA-N 567.233 4.883 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2cccs2)cc1 8869715 FKVVRBALPNSNNC-OAQYLSRUSA-N 511.600 4.595 0 40 KJAB CSCC[C@H](C(=O)Nc1ccc(C(C)=O)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 9201817 HAENGIQPIGXXIV-ALKDMIANSA-N 524.642 4.842 0 40 KJAB Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C(C)C)cc2)cc1 12477077 LVGDRLYKIIJLEK-QFIPXVFZSA-N 507.660 4.559 0 40 KJAB C[C@H](C(=O)N(Cc1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccc(O)cc1)n1nnc2ccccc21 12635128 KGISTHBOYDXXGF-NIYFSFCBSA-N 501.587 4.510 0 40 KJAB CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccc(OC)cc2)C(=O)Cn2nnc3ccccc32)cc1 12713849 FQTQTCBSMCDFRM-MUUNZHRXSA-N 529.641 4.523 0 40 KJAB CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1 12713855 VUVCOENPNMKIAV-HHHXNRCGSA-N 517.605 4.654 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(CCc1cccc(C)c1)C(=O)Cn1nnc2ccccc21 13032234 DIQZKVKJTXZWLZ-NDEPHWFRSA-N 513.642 4.563 0 40 KJAB COc1cc2cc(CN(Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1OC 13498831 QXNQKRWSXJEXIE-HHHXNRCGSA-N 528.613 4.573 0 40 KJAB Cc1cc(C)c2cc(CN(Cc3ccc(F)cc3)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 13499046 UKTVVEPWLROSCO-RPLLCQBOSA-N 518.637 4.849 0 40 KJAB COc1ccc([C@@H](C)NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 20106354 IOPQVQQEDFYDDM-GOSISDBHSA-N 503.020 4.738 0 40 KJAB CCOC(=O)C1=C(COC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)NC(=O)N[C@@H]1c1ccco1 24013451 AXMDDAJENCRBAO-HSZRJFAPSA-N 510.930 4.540 0 40 KJAB Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)S(C)(=O)=O)c1C 59887184 NVVDQOVYGXOACR-UHFFFAOYSA-N 556.493 4.816 0 40 KJAB CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3ccccc3F)C2)cc1 97963905 YFQDSPKLSRBEOP-QHCPKHFHSA-N 522.023 4.781 0 40 KJAB COc1cc(Nc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccccc23)cc(OC)c1 97987047 KARXQHHHWFHHDE-UHFFFAOYSA-N 540.399 4.634 0 40 KJAB CCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3ccc(OCC)cc3)nc3ccccc3c2=O)cc1 102610890 LXZARGLFKPKBGX-UHFFFAOYSA-N 530.650 4.714 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(N2C(=O)/C(=C/Nc3cccc(C(C)=O)c3)c3ccccc3C2=O)c1 103005202 VWLABTPWKUOTMB-NLRVBDNBSA-N 517.607 4.560 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 105564204 JOOQWTGBLNAIEJ-UHFFFAOYSA-N 524.517 4.565 0 40 KJAB COc1ccccc1N1CCN(C(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)CC1 105871132 DNBJMXWRVNCLFH-UHFFFAOYSA-N 534.465 4.546 0 40 KJAB Cc1ccc(CN(C(=O)CCCN2C(=O)c3ccccc3C2=O)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 222577784 LOXIDDITSVLMFP-GDLZYMKVSA-N 539.676 4.784 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c2cc(Cl)ccc2C)cc1 222665355 QSZICQKYXFECGX-IBGZPJMESA-N 515.031 4.801 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 222761724 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CC1=C(C(=O)Oc2ccccc2)C2(C)[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3C1[C@H]1C(=O)N(c3cccc(C)c3)C(=O)[C@H]12 8430915 KZDLKMWEDTZECQ-PXLWWDHHSA-N 574.633 4.787 0 40 KJAB C[C@H]1CN(c2ccc(Oc3ccccc3)cc2)c2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n2C1 9291744 WHNBFXKMAKWTRP-IBGZPJMESA-N 511.557 4.664 0 40 KJAB CN(C)S(=O)(=O)N(Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1)c1ccccc1F 9694835 IAIHICOTNIRGFF-UHFFFAOYSA-N 509.647 4.734 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2ccc(C)cc2)cc1Br 10447925 ZKKIKXNRSBWKOC-UHFFFAOYSA-N 517.445 4.586 0 40 KJAB CC[C@H](C)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccco2)cc1 12482089 KNVXWBOWPBICPR-JMFZDZGDSA-N 515.614 4.608 0 40 KJAB CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2[C@@H](C)CC)C1 12531350 PELUJFMXKOJMAK-WMZOPIPTSA-N 512.628 4.851 0 40 KJAB COc1cccc([C@@H](C(=O)NC2CCCC2)N(CCc2ccc(OC)c(OC)c2)C(=O)c2ccco2)c1 13025808 LFXYDTKOYOGZLO-MHZLTWQESA-N 506.599 4.790 0 40 KJAB Fc1ccc(Cn2nnnc2[C@@H](c2ccc(F)cc2)N2CCN(c3nc4ccccc4s3)CC2)cc1 13496317 FXUXKYVUBLGXLG-XMMPIXPASA-N 503.582 4.521 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(Cl)cc3)c2=O)=N1 14257378 GUADVBUGBYOVCX-WLGHQHAYSA-N 503.986 4.666 0 40 KJAB COc1ccc(C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1S(=O)(=O)N1CCCC[C@@H]1C 14359136 MUMATRYHHQBCTQ-SFHVURJKSA-N 511.571 4.848 0 40 KJAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C 19369920 XESODQRWBFMKEB-HYMOCLBVSA-N 500.683 4.679 0 40 KJAB biogenic COc1ccc([C@H](C)NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 20011784 ZSAAXNLDXJWAID-KRWDZBQOSA-N 521.010 4.565 0 40 KJAB COc1cc(C(=O)Nc2ccc(F)c(Cl)c2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC 22254484 CAZHQSQXYMOSQM-UHFFFAOYSA-N 510.946 4.854 0 40 KJAB CCOC(=O)c1cc(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccccc2)ccc1Cl 22428845 POUMUZXGHTXTGB-UHFFFAOYSA-N 517.003 4.749 0 40 KJAB Cn1c(=O)c2c(nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O 33356352 MZQPLOUHACSJKU-UHFFFAOYSA-N 603.554 4.696 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(Cc1ccc(OC)cc1)C(=O)CCC(=O)Nc1cc(C)on1 38146002 RYZQWZSAELCRPR-MUUNZHRXSA-N 550.656 4.794 0 40 KJAB O=S(=O)(Nc1nc2ccccc2nc1N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 38267795 FKXWMMFJHPKYOC-RMKNXTFCSA-N 520.058 4.919 0 40 KJAB COc1cc(NC(=O)c2cc(I)ccc2I)ccc1-c1ccc(CO)o1 59825570 HBCDIWBGIKEBPZ-UHFFFAOYSA-N 575.140 4.909 0 40 KJAB CC(C)C[C@@H](NC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)Nc1ccc(F)cc1 97956993 ZJTRLPQMVGHLLO-KAYWLYCHSA-N 582.717 4.670 0 40 KJAB O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 98006300 NSYPWJCCSUXNEZ-POWWOLADSA-N 557.617 4.999 0 40 KJAB COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 98046207 CKISNCUUOCOJLI-ZMIGGIFCSA-N 560.473 4.645 0 40 KJAB Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c2ccc(C(C)C)cc2)cc1 100290623 HPPKNNSKBUMVCU-MFMCTBQISA-N 570.669 4.981 0 40 KJAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCN(c4cc(Cl)ccc4C)CC3)cc2c1 100354869 PSUGNKJOHBCDOP-GDLZYMKVSA-N 570.097 4.639 0 40 KJAB COc1cc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)cc(OC)c1OC 100358329 UCYHGBLXBBFYMT-SANMLTNESA-N 536.581 4.524 0 40 KJAB CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCC1)c1ccc(OC)cc1OC 100365637 XASYRLQDAUOFRE-SSEXGKCCSA-N 541.652 4.844 0 40 KJAB COc1ccc2c(c1)c(CC(=O)N(C)CC(=O)Nc1ccc(N3CCOCC3)cc1)c(C)n2C(=O)c1ccc(Cl)cc1 103048056 UDBBGWLWFLCKDE-UHFFFAOYSA-N 589.092 4.776 0 40 KJAB COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1 103067001 HKDJWZQPXIGDHQ-UHFFFAOYSA-N 532.858 4.964 0 40 KJAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 103111525 CSPCUSWKVRYBEL-UHFFFAOYSA-N 555.052 4.850 0 40 KJAB COc1ccccc1NC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCCCC(=O)NCCc1ccc(OC)c(OC)c1)OCO3 150443909 UTRZNNGTFJCPOM-UHFFFAOYSA-N 662.765 4.801 0 40 KJAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)[C@@H](C)OC(=O)c1cccnc1S[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 195530225 VYFYCASABKWRPC-LNWDYZLOSA-N 517.736 4.989 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 222511846 IKBGOKHETLDPBH-FUFSCUOVSA-N 565.736 4.921 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 222612474 BJGOXKWGWQGNNO-HHHXNRCGSA-N 592.108 4.797 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 222645662 OVJFYEUKFWWERM-MHZLTWQESA-N 574.118 4.657 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c1 222686188 PUROETIJMBQGGT-NDEPHWFRSA-N 616.180 4.536 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(OC)c(OC)c1 223175099 WRWZSJFIUDLYLQ-AREMUKBSSA-N 506.618 4.942 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 223285002 CEOUGQHSQQKQIW-RUZDIDTESA-N 515.720 4.607 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 223311360 HYQKAGUZHBJFPS-MHZLTWQESA-N 586.154 4.671 0 40 KJAB O=C(NCc1ccncc1)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 223313929 HPUDBHLTUMHGQY-MGBGTMOVSA-N 596.753 4.885 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 223323261 XJMLGJUIQYLSGK-INIZCTEOSA-N 548.920 4.601 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223510970 SYYDCQREJFUJHK-QFIPXVFZSA-N 542.529 4.790 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223609597 CZCQZUGXCVQSMY-MHZLTWQESA-N 627.735 4.523 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223663082 LSRXRTKPYBWPBR-VWLOTQADSA-N 580.509 4.675 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 223671159 PLPFHOFPEXDBDK-JIPXPUAJSA-N 574.118 4.800 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 223695454 QNZIDEVKZFKEDC-LJAQVGFWSA-N 579.763 4.964 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 223770528 SAHOUJAWUJBUQG-NDEPHWFRSA-N 586.154 4.671 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 223850660 SGRUFDKFHVBOCS-NRFANRHFSA-N 560.091 4.926 0 40 KJAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 224062677 UHKWSZBUNHWIQF-HSZRJFAPSA-N 556.128 4.748 0 40 KJAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224062986 OQQYJXXOZBVESB-QHCPKHFHSA-N 556.128 4.748 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccccc1 224229302 GIFBVLXIDRACIG-MHZLTWQESA-N 535.710 4.696 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 224698045 ORDNRUQZQGCXFE-XMMPIXPASA-N 536.138 4.774 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 224720644 MVZZWVUYDUPWLZ-QFIPXVFZSA-N 616.578 4.903 0 40 KJAB CCCSc1nnc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3cc(Cl)ccc3O2)s1 224737293 KBUUFRJPAHBMMR-GOSISDBHSA-N 525.077 4.597 0 40 KJAB COC(=O)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(OC)ccc2OC)cc1 224857425 SWGDELGTAJCKSU-UIOOFZCWSA-N 514.607 4.853 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 224933008 DDXPVOIUBQTQHL-HXUWFJFHSA-N 620.555 4.903 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 224981980 CWGJCALQEBOQQH-JWQCQUIFSA-N 535.710 4.831 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224996965 OCDOTYSUIFKOPF-RBUKOAKNSA-N 542.529 4.872 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3I)cc2)c1 225017628 KKLXDFHJFAEKGC-UHFFFAOYSA-N 552.390 4.670 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 225117187 QSKJMPPYCMVAHW-GDLZYMKVSA-N 565.736 4.923 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccccc2)cc1 225215797 ZBZCJQWRWCTTMB-GOTSBHOMSA-N 569.699 4.752 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 225467282 JBLHUIHTARYDSJ-HXUWFJFHSA-N 546.064 4.616 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccccc2C)[C@@H](CC)C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 225521763 SJFCJLLFBKNLKO-HOFKKMOUSA-N 529.747 4.826 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 225614667 SCUXOXYYALIVJN-HHHXNRCGSA-N 556.128 4.616 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)Oc3ccc(Cl)cc32)cc1 225658857 VHTIKPDGRPOROB-QFIPXVFZSA-N 524.948 4.940 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 225736334 SVJSGDCRTGIOOW-KSFYIVLOSA-N 546.492 4.621 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 260744000 NJKAMDORSZKCTJ-RUZDIDTESA-N 535.710 4.749 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 260807215 RBFCRZXLTLJRQY-HSZRJFAPSA-N 581.710 4.896 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 260813111 UVCSTICSBXAVFZ-HSZRJFAPSA-N 581.710 4.896 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260816399 URTSJLPYIVCFHW-GOSISDBHSA-N 570.539 4.634 0 40 KJAB COc1cccc(CN(C(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 260900002 UPACTSKFLZLDHW-SSEXGKCCSA-N 579.763 4.715 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)c2ccc(C)cc2)cc1 260929580 KSSQWCXRAKCKFM-XMMPIXPASA-N 583.726 4.918 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 260970951 MLHLGFUQMJVJCQ-VGSWGCGISA-N 562.054 4.847 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 260984935 OTVQNTVCPQZDCH-IGKIAQTJSA-N 565.736 4.921 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc(Cl)cc1 260996455 ORCJNDLVUACGLN-MUUNZHRXSA-N 568.139 4.805 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 408550907 KPTYSGBIPDKHMN-HYARGMPZSA-N 602.507 4.832 0 40 KJAB COc1ccc(CNC(=O)C(=O)Nn2c(C(=O)Nc3c(C)cccc3C)cc3cc(Br)ccc32)cc1 408580498 QZJLGGKNRWSHFH-UHFFFAOYSA-N 549.425 4.668 0 40 KJAB COCCCNC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 408616244 FICGYIMFAIFLNO-UHFFFAOYSA-N 564.491 4.902 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2 408624191 FZGXDZCDMKLOPW-UHFFFAOYSA-N 528.652 4.646 0 40 KJAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)ccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408649012 ZBLNZVKDGFRFJZ-WFZQVPDDSA-N 525.388 4.572 0 40 KJAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4CC=C(C)C[C@H]4C3=O)c2)CC1=O 408669813 SBFAPNSLBQRWKO-NQHRYMMQSA-N 500.595 4.616 0 40 KJAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408681940 JVWAKJVQJGCCCV-KTWGYSIQSA-N 543.019 4.739 0 40 KJAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 408695159 RDMSYFQYMILRMB-UHFFFAOYSA-N 515.006 4.891 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OC(C)C)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408839608 BFXGYJHCWSFNQJ-VLOXRPPESA-N 581.012 4.790 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@H]1c1cccc2ccccc12 408871146 XYPCFVUAALIOSQ-ASZNLBCTSA-N 564.619 4.910 0 40 KJAB COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1Cl 409022228 KBMMRMXIJXUJRN-YOURIZNBSA-N 591.911 4.620 0 40 KJAB CCN1C(=O)S/C(=C/c2cc(OC)c(OCC(=O)Nc3ccc(C)cc3)cc2Br)C1=O 409084133 BLZPGKFGWTVFKJ-VXLYETTFSA-N 505.390 4.840 0 40 KJAB 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4.639 0 40 KJAB O=C(NCC(c1ccccc1)c1ccccc1)C1=NOC2(CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 1491220 JTFLBLLPKHGNKF-UHFFFAOYSA-N 544.098 4.649 0 40 KJAB Cc1c(CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c(=O)oc2cc3oc4c(c3cc12)CCCC4 2107922 LKXPEEWATMCNST-DEOSSOPVSA-N 512.562 4.952 0 40 KJAB biogenic CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3c(C)[nH]c4ccccc34)c2=O)=N1 2154765 KHTPLZYIUOQZRL-MFUBYVTQSA-N 506.027 4.630 0 40 KJAB COc1c(Cl)cc(Br)c(OC)c1C(=O)NC(=O)Nc1c(F)c(F)c(F)c(F)c1F 2380447 LQBPMOUGSVOXHR-UHFFFAOYSA-N 503.605 4.777 0 40 KJAB COc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(Cc4ccccc4)C(C)C)cc3)o2)cc(OC)c1OC 2723551 PSUUTWRJJJGPNL-UHFFFAOYSA-N 566.636 4.614 0 40 KJAB CCOC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2Cl)cc1C 3235909 ZYVFPBAQAAVTCN-UHFFFAOYSA-N 519.044 4.886 0 40 KJAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)o3)c2=O)=N1 3771885 BDCCBKDFQHNDIN-GXPYYPFNSA-N 581.119 4.991 0 40 KJAB C[C@@]12CC[C@@H](OC(=O)Nc3cccc(F)c3)[C@@](C)(CO)[C@H]1CC[C@@H](O)[C@H]2CC(=O)NCc1cccs1 4236752 ICZZFPVTAIZJQI-PIKPVMJISA-N 518.651 4.697 0 40 KJAB biogenic,in-vitro CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)c(OC)c4)[C@H]3C2=O)cc1 9235058 YQHMCXNPSUVVDG-SLQPCKNISA-N 518.566 4.552 0 40 KJAB COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2Cc2ccccc2)cc1 9678827 XBQITILJHRCRCR-QFIPXVFZSA-N 507.999 4.658 0 40 KJAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(OCc4cn5ccccc5n4)c3)n2)s1 12540227 SLSMPYRXZJNRNU-UHFFFAOYSA-N 503.609 4.987 0 40 KJAB CCOc1ccc(CNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1 13648822 HVVGUMQOQYNAHM-UHFFFAOYSA-N 517.445 4.668 0 40 KJAB CCOC(=O)c1sc(N[C@@H](NC(=O)c2ccccc2)C(=O)c2cccs2)c(C(=O)OCC)c1C 16736380 JPIMQNLIPGKRJZ-HXUWFJFHSA-N 500.598 4.522 0 40 KJAB COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(F)cc1 16754294 UBSWJYULTZSQKU-MTJSOVHGSA-N 509.921 4.598 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(Cl)c(C(=O)OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 19855925 UQTWDCKYLPDUHS-UHFFFAOYSA-N 517.003 4.668 0 40 KJAB CCOc1cc([C@H]2N3CCc4ccccc4[C@@H]3CN2S(=O)(=O)c2ccc(OC)c3ncccc23)ccc1OC 29749355 NEXQHAQHOWPHEZ-NGQVCNFZSA-N 545.661 4.953 0 40 KJAB CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)COc2ccc(Cl)cc2)c1 57222940 XVFNUGGJKDFRDK-UHFFFAOYSA-N 508.018 4.856 0 40 KJAB COC(=O)c1cc2cc(NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(OC)c(OC)c3)ccc2s1 59834875 VPQZGCTXLHOUAK-UHFFFAOYSA-N 568.673 4.577 0 40 KJAB COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)cc1OC 70672424 IHNACKDFLXNPGW-AREMUKBSSA-N 591.686 4.652 0 40 KJAB biogenic CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)NCCc1ccccc1 70700697 NOYDNWGZLGUIRX-ZRMCBUBKSA-N 534.660 4.528 0 40 KJAB biogenic O=C(C[C@H]1C(=O)N(Cc2ccccc2)C(=S)N1Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(Cl)cc1 97995466 OVBUFCOMDZKUJI-VWLOTQADSA-N 547.080 4.994 0 40 KJAB O=S(=O)(Nc1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)c1ccc(Br)cc1 101082780 HHRIGBKSUZARKC-UHFFFAOYSA-N 546.262 4.813 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2cnc(Br)n2)(C4)C3)cc1 102438675 TXUGQGKZDGWGRC-GAAJCNLQSA-N 501.425 4.932 0 40 KJAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 103013557 QSAILVZXHSJGOA-UHFFFAOYSA-N 553.033 4.658 0 40 KJAB COc1ccc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1S(=O)(=O)N(C)Cc1ccccc1 103139285 CFOAUFNPOFVXST-UHFFFAOYSA-N 558.656 4.579 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc(Br)c1OCC(=O)OC 106697885 AABZVHHBQMGCBR-ZDLGFXPLSA-N 524.364 4.775 0 40 KJAB CCCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(Cl)ccc2OC)cc1 138868843 VPTWNQYFGXUCLX-UHFFFAOYSA-N 504.967 4.596 0 40 KJAB COc1cc(OC)c(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc3c(c2)OCO3)cc1Cl 206593437 HYSNNZPTJFCGFU-UHFFFAOYSA-N 546.026 4.636 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 222599169 ZEMMMSHEPWERIP-XMMPIXPASA-N 536.138 4.835 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)c2ccccc2)cc1 222763761 HLPYXENGCPBQLY-DEOSSOPVSA-N 565.736 4.921 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)NC(C)C)c2ccccc2)cc1 222922312 ASQZHEYRJGXOLL-LJAQVGFWSA-N 565.736 4.655 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 222951942 ZGHTZHRCXFWTBX-VWLOTQADSA-N 535.710 4.832 0 40 KJAB COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NCc2ccncc2)cc1OC 223178177 VEOSMJYMZMCCNL-NDEPHWFRSA-N 541.623 4.737 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 223203536 HIQPVMSAFUOWNH-RUZDIDTESA-N 546.064 4.536 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 223206392 BAWYPQJCCGMONV-RUZDIDTESA-N 546.064 4.536 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 223306844 YUZVDXGGKPNRGS-DEOSSOPVSA-N 536.138 4.917 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 223564817 BPQIEOKQLLQHLO-AREMUKBSSA-N 620.997 4.953 0 40 KJAB CCCC[C@@H](CC)CNC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223777317 SAHFWIIPFORHLW-HXUWFJFHSA-N 506.665 4.630 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 223866974 MNJIFVQFPIEXCK-HXUWFJFHSA-N 576.090 4.627 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 224259361 YVUXNTRQBXLARB-MHZLTWQESA-N 535.710 4.780 0 40 KJAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCSCc2c(Cl)cccc2Cl)s1 224315890 GEZLUWOJQSHOFJ-UHFFFAOYSA-N 517.485 4.617 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 224526220 DZPRNMZZWLEGMX-MHZLTWQESA-N 581.735 4.541 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 224560298 GIVFIVQWIVZQRC-NDEPHWFRSA-N 595.762 4.787 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccc(OC)cc2)[C@@H](CC)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 224599352 KNNZTGKQAYKLPT-NDEPHWFRSA-N 557.757 4.670 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224624916 YABAYHNLLDUIJU-MHZLTWQESA-N 586.154 4.669 0 40 KJAB Cc1cccc(OCCNC(=O)c2ccc(CN(c3cccc(Br)c3)S(C)(=O)=O)cc2)c1 224676536 GBJPMPCZZBYCHV-UHFFFAOYSA-N 517.445 4.533 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 224744416 KPEIUEIMOCEIHV-HHHXNRCGSA-N 599.725 4.618 0 40 KJAB COc1ccc(OCC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 224940753 BZUFWSJLIAQKQH-MUUNZHRXSA-N 504.602 4.912 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 225144402 IBTAKEGOEJJJCR-UHFFFAOYSA-N 601.703 4.512 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 225177011 MLHNBLHNNPWZJL-HSZRJFAPSA-N 599.725 4.680 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 225258975 KIVZPXQEHUQEAA-RBUKOAKNSA-N 542.529 4.708 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 225375501 ODQHKNWZRZQUII-GDLZYMKVSA-N 581.735 4.623 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 225522095 YQZIEWOTFCRKBO-NBGIEHNGSA-N 537.673 4.542 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 225623104 CLRYKCJYLQWTON-VGOFRKELSA-N 572.953 4.591 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(I)cc1 225628927 FHEFVGTZDCEPLW-AWEZNQCLSA-N 549.236 4.919 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 225685013 ACZWAOFMFIRUFK-NRFANRHFSA-N 651.542 4.815 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 225688225 VXYAUERVCBQJEY-FDDCHVKYSA-N 542.529 4.644 0 40 KJAB COC(=O)c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c1 225697148 UFQLBXBRYMPRSD-NSOVKSMOSA-N 539.661 4.969 0 40 KJAB O=C(c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1)N1CCCCCC1 225747505 FDAAKDHYENOSKQ-UHFFFAOYSA-N 521.664 4.928 0 40 KJAB CC[C@@H]1C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@]45CCN4CC=C[C@](CC)([C@@H]45)[C@@H](OC(C)=O)[C@@]3(O)C(=O)OC)C2)C1 257375779 AGKYIOIIEPFTEV-BVDSDHSQSA-N 794.990 4.876 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Cc4noc(C(C)C)n4)cc3)C2)cc1C 260721047 VVDJGLPVROHWDK-NRFANRHFSA-N 526.659 4.530 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(C(C)(C)C)cc3)Oc3ccc(Cl)cc32)cc1 260850823 RNBJZESMWAQQRO-AREMUKBSSA-N 559.084 4.798 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](CC)C(=O)NC)S(=O)(=O)c1ccc(SC)cc1 260858276 MRPQSLQLOBDVNS-RUZDIDTESA-N 587.739 4.695 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 260871551 BBSROWKHDUDXSV-PKTZIBPZSA-N 599.725 4.679 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccccc1Br)S(C)(=O)=O)[C@H](Cc1ccccc1)C(=O)NCC(C)C 260934337 LXOLLVUZSWQMHV-MUUNZHRXSA-N 614.606 4.936 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 260953761 KDXMKXBEHLTVDA-DQEYMECFSA-N 595.762 4.848 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 260992508 QGPDGTLITUWHFX-ZEQRLZLVSA-N 581.735 4.540 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 261013157 USUYGUWUPJBTAG-SFTDATJTSA-N 573.662 4.501 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 261050270 LVYIWDTZDOXSGF-SVEHJYQDSA-N 549.737 4.642 0 40 KJAB O=C(CSc1n[nH]c(-c2cc(Br)ccc2O)n1)Nc1ccc(Br)cc1F 408541925 FWNLMXNGAWUTBV-UHFFFAOYSA-N 502.163 4.572 0 40 KJAB COc1ccc(CCNC(=O)C(=O)Nn2c(C(=O)Nc3ccc(C)c(C)c3)cc3cc(Br)ccc32)cc1OC 408575132 ISUAQZDOUUJJMK-UHFFFAOYSA-N 593.478 4.719 0 40 KJAB CC(=O)Nc1cccc(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 408603713 CLHZYZRJMGHQCS-UHFFFAOYSA-N 550.862 4.891 0 40 KJAB CC(C)CCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)cc2)cc2cc(Br)ccc21 408604981 JKHGWYWZEZNQOG-UHFFFAOYSA-N 550.251 4.651 0 40 KJAB COc1cc(/C=C(\Sc2nnc(C)o2)C(=O)O)cc(I)c1OCc1ccccc1F 408631488 JOMFACBBJPQIIJ-MFOYZWKCSA-N 542.326 4.927 0 40 KJAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)ccc1N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408638772 DLDYWQRGPQLYJM-LZQZEXGQSA-N 513.377 4.716 0 40 KJAB C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 408642002 LWUFFXVINGOKDK-DZQILOCTSA-N 509.389 4.675 0 40 KJAB CCOc1ccccc1NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408668321 WBJMMFUVDUMZJU-OJKWPBSESA-N 521.400 4.617 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C(=O)OCCCC)cc2)cc1 408668490 UBQGXVOTUAGHDN-UHFFFAOYSA-N 540.613 4.891 0 40 KJAB O=C(CN1C(=O)[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@@H]2C1=O)Nc1cccc(Cl)c1 408670330 IMWMTRKFTAFKCX-ZQFKLAOWSA-N 521.798 4.677 0 40 KJAB Cc1cccc(NC(=O)COC(=O)CCCCCN2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1 408687911 VTVJZAIFBOXNHV-BYVQZYKMSA-N 536.628 4.929 0 40 KJAB C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)Nc4ccc(Br)cc4Cl)c3)C(=O)[C@@H]2C1 408690721 WMPSKZZVLHIPOU-FSPWUOQZSA-N 533.806 4.824 0 40 KJAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ccc(I)cc4)cc3C[C@@H]2C)cc1 408710957 AUMHFJFZEZEVBQ-INIZCTEOSA-N 532.403 4.992 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)c(OCC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 408725308 GYXNYDFSFSYHTB-MRWVFDTMSA-N 614.720 4.793 0 40 KJAB CCOC(=O)COc1c(Br)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1Cl)C(C(=O)OCC)=C(C)N=2 408825019 IUASQDIKHZJMMD-HWMPQDOQSA-N 654.366 4.810 0 40 KJAB CCOC(=O)c1ccc(COc2ccccc2/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1 408936814 GFCYIUIRIKJPMU-OJCWPVFHSA-N 642.730 4.571 0 40 KJAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(Br)cc2F)cc1 409005269 UDZISHUYKNQJIR-UHFFFAOYSA-N 505.409 4.769 0 40 KJAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)ccc3OCC(F)(F)F)c2=O)=N1 409038522 VWQHNAHFZXVDCE-PRWBYUBPSA-N 581.410 4.502 0 40 KJAB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc24)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OC 409106892 PUWHXAIIVLMJEP-BFOKUZPWSA-N 585.726 4.673 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OC)cc4C)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 409109798 LRHOJBPSRQYEHD-ZCWBPALNSA-N 681.561 4.933 0 40 KJAB COCCNC(=O)Cn1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c2cc(Br)ccc21 409137287 WNUAURNVAARCMF-FBHDLOMBSA-N 546.418 4.542 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OC(F)F)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 409170047 SUKXAFLXBROQAC-CVMWMZFYSA-N 562.594 4.546 0 40 KJAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)Nc1ccc(Br)cc1 409257544 SSDCAPJOZMSBOH-UHFFFAOYSA-N 509.809 4.599 0 40 KJAB COCC(=O)N1CCCN(Cc2ccccn2)CCN(C(=O)c2c(C)oc3ccc(OC)cc23)Cc2ccccc21 643563208 XLRHCLFJQWKEDY-UHFFFAOYSA-N 556.663 4.673 0 40 KJAB CCC(=O)N1CCCN(C(C)C)CCCN(C(=O)CCn2ccnc2C(C)C)Cc2cc(F)c(F)cc21 643581559 UVCBMFIAJKGYJW-UHFFFAOYSA-N 517.665 4.951 0 40 KJAB CC1=CC[C@@H]2C[C@@H](C[C@]3(C=C[C@H](C)[C@@H](C4CCCCC4)O3)O2)OC(=O)[C@@H]2C=C(C)[C@@H](O)[C@H]3OCC(=CC=C[C@H](C)[C@@H]1O)[C@@]23O 2048392551 SHRUSRJMZSPNGG-BJIBBNMNSA-N 610.788 4.841 0 40 KJAB biogenic CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc(Br)cc4)cc3C2=O)cc1 990323 ITFJUXFYPIZCAT-UHFFFAOYSA-N 508.324 4.688 0 40 KJAB Cc1cc2ccccc2c(=O)n1Nc1nc(Nc2ccccc2)nc(Nn2c(C)cc3ccccc3c2=O)n1 1054047 PGLHYMXMABBKPY-UHFFFAOYSA-N 516.565 4.612 0 40 KJAB CCOc1c(I)cc(/C=C2/N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1OC 2081785 HFNUFOJOTJFKBW-PJQLUOCWSA-N 519.669 4.975 0 40 KJAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)O)c(C)c3cc2c1C 2155389 PNAODLAZSJUWIH-DEOSSOPVSA-N 500.551 4.999 0 40 KJAB biogenic Cc1cc(C)c(Cn2c(=O)n(CCCC(=O)NCc3ccccc3Cl)c(=O)c3ccccc32)c(C)c1 2686504 PZNGDNQUDRBUSX-UHFFFAOYSA-N 504.030 4.887 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)cc1C 3237190 AYERKKCTZLJIPY-UHFFFAOYSA-N 525.030 4.808 0 40 KJAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 4522142 PVLRBRVQUGLNST-MOPGFXCFSA-N 538.622 4.956 0 40 KJAB COC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(N)=O 5575073 YURHRNOBWQYDIT-XZWHSSHBSA-N 625.747 4.540 0 40 KJAB CCN(CC)CCOC(=O)c1ccc(NC(=O)OC[C@@H](C)OC(=O)Nc2ccc(C(=O)OCCN(CC)CC)cc2)cc1 8614850 DHAUOSIUEFTMDY-HSZRJFAPSA-N 600.713 4.870 0 40 KJAB CCCCN1C(SCC(=O)Nc2ccc(Br)cc2F)=NS(=O)(=O)c2ccccc21 9530323 QJKWJUAXULSISV-UHFFFAOYSA-N 500.415 4.625 0 40 KJAB CCOc1ccc(C(=O)c2cn(CC(=O)Nc3cccc(OC)c3)c3ccc(OCC)cc3c2=O)cc1 9855993 IXFDWNAVRXNJKY-UHFFFAOYSA-N 500.551 4.677 0 40 KJAB CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccc(F)cc2)c1 9934216 PKNIJHFEQWAGBS-DEOSSOPVSA-N 503.530 4.677 0 40 KJAB Cc1ccc(N2C(=O)C[C@@H](C(=O)OCc3nc(N)nc(Nc4ccccc4C)n3)[C@H]2c2cccs2)cc1 12533081 SOKGYXDMRCKYON-DVECYGJZSA-N 514.611 4.713 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC 13024650 SQVJOAZEDMYKFQ-MHZLTWQESA-N 515.614 4.528 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)[C@@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 13495682 PLELSWHGNGUWEI-SANMLTNESA-N 516.577 4.847 0 40 KJAB COc1ccc(S(=O)(=O)N(CCO)c2ccccc2CN(C)C/C=C\c2ccc(Cl)cc2)cc1 13519416 LLLQTDSSHZREGW-WAYWQWQTSA-N 501.048 4.681 0 40 KJAB COc1ccc(C(=O)NCc2ccccc2F)cc1S(=O)(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 16044874 RWSOAZNLFWFTNV-AWYKWWOESA-N 500.636 4.648 0 40 KJAB CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 17434360 JQNWZAXOHKJZFS-RUZDIDTESA-N 547.608 4.520 0 40 KJAB COc1ccc(Br)cc1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19942812 GLIQVEVWCSPZIB-UHFFFAOYSA-N 501.446 4.554 0 40 KJAB COc1ccc(CNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 20047914 UULJQGCHRHTCIZ-UHFFFAOYSA-N 523.438 4.831 0 40 KJAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(Br)c(OCc2ccccc2)c(OC)c1 21548982 CWEADTMNDRPJDN-UHFFFAOYSA-N 516.388 4.618 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1Cl 22536247 FLWSVESEUYDRQS-SFHVURJKSA-N 505.011 4.599 0 40 KJAB COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCN(Cc3ccccc3)CC2)c1 22798555 XPAUNOWURWFSEW-HSZRJFAPSA-N 501.612 4.672 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1Cl 39986544 WDDPGNGZCDAGRD-UHFFFAOYSA-N 501.048 4.978 0 40 KJAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 60042810 VKNQJSVIGNNXON-UHFFFAOYSA-N 528.439 4.726 0 40 KJAB CO[C@@]1(C)O[C@@H]2O[C@@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O1 97943228 SCDVHQXHQOSKCS-QNBOTTAWSA-N 506.595 4.834 0 40 KJAB Cc1cccc(Nc2nc([C@@H](C)N3CCN(S(=O)(=O)c4ccc(-n5cccn5)cc4)CC3)nc3ccccc23)c1 100035998 SYSWVENHWPRAAI-HSZRJFAPSA-N 553.692 4.935 0 40 KJAB Nc1c(C(=O)NC2CCCCC2)nsc1C(=O)N(Cc1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 100294280 IBCVVSVJRIOQLB-VWLOTQADSA-N 567.687 4.962 0 40 KJAB O=C(NC(=S)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1cc(I)ccc1Cl 100358479 FRDFCOPUKJYIRN-UHFFFAOYSA-N 561.788 4.872 0 40 KJAB Cc1ccc(N(C(=O)c2snc(C(=O)NC3CCCCC3)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1 100622960 NGDSWJCIWBPILC-SQHAQQRYSA-N 593.725 4.919 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H](NC(=O)c3ccccc3OCC)C(C)C)ccc2OC)cc1 102994212 MHROTJDWGLGGRV-MHZLTWQESA-N 569.680 4.687 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2[C@H](C)COC)c1 103018877 XSAWHVAYQSPPLE-GOSISDBHSA-N 566.149 4.876 0 40 KJAB COc1ccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)NCCCN2CCCC2=O)cc1 103135533 ICVQJKCLBIQUEF-HFBCPUAESA-N 541.648 4.652 0 40 KJAB CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccc(COc4cccc(Cl)c4Cl)o3)c(=O)n12 105417675 JICIUTSOEUDUOM-DXOKBKDESA-N 555.439 4.754 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc(OC)cc3)cc2)cc1 108054899 UDEAQUABUVVYNX-UHFFFAOYSA-N 613.689 4.868 0 40 KJAB CCOc1ccc(CCC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC)cc1OCC 222531904 LIUPJJIUCWLYIR-SANMLTNESA-N 506.618 4.942 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 223023528 KUOBZNJFFGCYCQ-MHZLTWQESA-N 535.710 4.669 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223287581 AIPSTDPHTZFBIA-XMMPIXPASA-N 548.492 4.742 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 223370799 HGUMEMOVYLCBNV-IBGZPJMESA-N 572.555 4.882 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 223494850 ODPXYTLCUDPKIC-INIZCTEOSA-N 578.946 4.755 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 223616359 WAOXOUFNQFZHFU-RUZDIDTESA-N 592.545 4.544 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 223663251 SKLQSEZEUHGMQS-KYWVCFRISA-N 565.780 4.782 0 40 KJAB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)N(c3ccc(Cl)c(C(F)(F)F)c3)S(C)(=O)=O)s2)cc1 223890989 IILJOFNXIHCWOS-GFCCVEGCSA-N 518.970 4.979 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223972923 KUWSXEADPVOXDE-IBGZPJMESA-N 612.576 4.787 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 224279439 IKAJKTQZSPQMGV-AREMUKBSSA-N 602.153 4.804 0 40 KJAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 224600362 NPZUEGJTZKNICZ-AREMUKBSSA-N 556.128 4.830 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 224793642 JWWZJGNCCCWUBE-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 224835330 AFVUDGVGZFPJAY-IBGZPJMESA-N 528.074 4.726 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 224883879 IBVCRMBKTQHWOW-SANMLTNESA-N 576.546 4.924 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 225050695 JYUAKHHKOVQHDB-HHHXNRCGSA-N 605.588 4.771 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 225119572 JKKLMXNWBAWEAK-HHHXNRCGSA-N 641.787 4.558 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 225233725 BIPXMKKXOFOCDT-PMERELPUSA-N 561.748 4.850 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cn2)cc1Cl 225235774 RLVHRZVETMPZTH-FTJBHMTQSA-N 533.057 4.991 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 225251505 ZHCQRRDCZURNEC-JOCHJYFZSA-N 580.589 4.946 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1 225302180 HFAZVZXIEKCWBO-PMERELPUSA-N 619.784 4.621 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 225393461 ASANMMGIAMFOAC-HHHXNRCGSA-N 581.735 4.623 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1OC 225702395 RFGVSXRHMVOCGS-NRFANRHFSA-N 664.594 4.990 0 40 KJAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1)c1ccc(OC)c(C)c1 225711246 ZTCBOOWIKPFBLT-JOCHJYFZSA-N 523.493 4.575 0 40 KJAB CCC1(CC)C[C@H](NC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)c2ccccc2O1 225779653 MHGVLDHSQUMTLT-HOFKKMOUSA-N 520.651 4.983 0 40 KJAB O=C1Oc2ccc(Br)cc2[C@@H]2c3sc(=O)n(Cc4ccccc4)c3S[C@@H]3[C@H]2[C@H]2C[C@@H]3[C@@H](C(=O)O)[C@@H]12 247403428 NVTMXDYFTKIYQZ-QYLGRKCHSA-N 570.486 4.829 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)[C@H](C)C(=O)NC1CCCC1 260821630 YJRKOEVHZSCQOZ-HSZRJFAPSA-N 551.684 4.806 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C 260984913 ORWWVAZJGDSZIN-QGZVFWFLSA-N 562.054 4.765 0 40 KJAB Cc1c(Cl)cccc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 260996522 OSCZSJROKKEORE-GOSISDBHSA-N 540.513 4.544 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 260996865 QYPPPXJWWOVECZ-HOTGVXAUSA-N 578.946 4.753 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)c2ccc(F)cc2)cc1 408548194 QIPNJNCTGVJHIQ-UHFFFAOYSA-N 613.689 4.786 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1 408584283 NUJVBPOOMIQQBQ-XMMPIXPASA-N 559.482 4.934 0 40 KJAB O=C(NCc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 408584538 QZQAONJZUGMVHT-NRFANRHFSA-N 542.282 4.962 0 40 KJAB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 408621248 OVNWWFLFXGUHJX-UHFFFAOYSA-N 549.052 4.884 0 40 KJAB CCCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408671567 ZEOHPQIDJCJWKC-UGEFBOJUSA-N 563.437 4.785 0 40 KJAB CCCC[C@@H](C(=O)OCC(=O)Nc1ccccc1C)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408684347 JQQJCZJROYANER-NSHXHUPESA-N 536.628 4.928 0 40 KJAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)Nc1ccc(Oc2ccccc2)cc1 408685617 LWBGJOSLARMGHZ-LQBPYSJUSA-N 508.530 4.586 0 40 KJAB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)cc2)cc1 408689919 ZPUCBDNYCREUQM-UDPYREPESA-N 558.590 4.887 0 40 KJAB Cc1cccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 408695042 OLFGYAVPMLAXHH-UHFFFAOYSA-N 569.627 5.000 0 40 KJAB CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 408760003 PTSGKXPAFBAZHF-HYARGMPZSA-N 571.474 4.694 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)OC)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408830970 ZDILMOPBOPNFEO-RTOMEVGKSA-N 663.974 4.553 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(C5CCCCC5)c4C)c(=O)n32)cc1OCC 408933151 HXNGQTAABNGALF-WAWVYTBHSA-N 563.720 4.739 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(C)C)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 408987341 OCUZAJQTULFMQJ-AHQATDLNSA-N 554.668 4.731 0 40 KJAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(Cc2ccccc2)CC1 409010011 CZDXQBLFVMLOQB-UHFFFAOYSA-N 546.520 4.571 0 40 KJAB CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Br)cc4)o3)c(=O)n21 409011217 FIGSDVGHOVPJIN-CSJROMOCSA-N 653.551 4.855 0 40 KJAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(I)c(OCc4ccc(C(=O)O)cc4)c(OC)c3)c2=O)=N1 409034132 NGVZYKYAQZWYBU-ZGOFBEGVSA-N 710.546 4.689 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 409111905 DVOFVOMCXTZNJV-UHFFFAOYSA-N 518.466 4.846 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2cc(Cl)ccc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409171390 AGZKBWXBZANNPJ-UHFFFAOYSA-N 535.018 4.517 0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409173080 IXCYILUPIVHNSU-UHFFFAOYSA-N 514.047 4.929 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4sc(C)c(C)c4C(=O)OC)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1OC 409196653 XHEGMHLMDDQFOD-KLKBWYFJSA-N 649.791 4.688 0 40 KJAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)C1=O 409232065 GUVOEYZRZVTIFB-BUVRLJJBSA-N 547.011 4.760 0 40 KJAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccccc2OCc2cccc3ccccc23)C1=O 409243249 RBWNVLSRAHGLLG-KOEQRZSOSA-N 507.546 4.959 0 40 KJAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)c(Br)c2)C1=O 409244653 GVXFHQAAILYHHF-OEAKJJBVSA-N 578.419 4.820 0 40 KJAB COc1cc(C(=S)N2CCN(c3ccc(F)cc3)CC2)ccc1OCC(=O)Nc1cc(C)ccc1C 409264089 KTFXIGKUQSVWHU-UHFFFAOYSA-N 507.631 4.966 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cc(I)c(O)c(I)c2)C1=O)Nc1ccc(I)cc1 409333272 RPBQCZVSDSMUFB-VGOFMYFVSA-N 732.075 4.881 0 40 KJAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1C 409355986 DMNNXVVNMNXYRM-HSZRJFAPSA-N 561.539 4.690 0 40 KJAB CC(=O)N1CC2=C(C1=O)[C@H](c1cc3cccc4c3n(c1=O)CC4)c1cn(CCC(C)C)c3cccc(c13)N2 524730740 VTYQCWLOLZSTOK-AREMUKBSSA-N 506.606 4.759 0 40 KJAB biogenic Cc1ccnn1CCC(=O)N1CCCCOc2ccc(Cl)cc2C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)CCCC1 643559262 SNUCUNAHLMIRQI-LJAQVGFWSA-N 608.183 4.858 0 40 KJAB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1 637971 LTYKRHTWARXHSV-UHFFFAOYSA-N 507.837 4.610 0 40 KJAB COc1cc(OC)cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2ccc(C)cc2)c1 931973 ZSHYRIHPYHLRHF-WJOKGBTCSA-N 549.631 4.848 0 40 KJAB O=C(CSc1nc2ccc(N3CCCCC3)cc2c(=O)n1Cc1ccccc1)NCCc1ccccc1 2974192 PLMNWZPUFMPUDW-UHFFFAOYSA-N 512.679 4.886 0 40 KJAB O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccc(Br)cc1 3245178 JLCQNCOQKLIKLE-UHFFFAOYSA-N 510.312 4.568 0 40 KJAB COc1ccc(N(CC(=O)c2cc(C)n(OCc3ccccc3)c2C)S(=O)(=O)c2ccccc2)cc1 3339843 YGMNOGQXYVXNPJ-UHFFFAOYSA-N 504.608 4.821 0 40 KJAB COc1ccc(C)cc1-n1c(SCCN2C(=O)c3ccccc3C2=O)nc2sc(C)c(C)c2c1=O 3434085 RDNSVFZNHYJZKX-UHFFFAOYSA-N 505.621 4.769 0 40 KJAB CC(C)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(Cc1nc(-c2ccccc2)cs1)C(=O)CN1C(=O)C(=O)c2ccccc21 3768031 DNQGTMUHEUTQDS-LJAQVGFWSA-N 596.665 4.760 0 40 KJAB COc1ccc(CCNC(=S)N(Cc2ccc(F)cc2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1OC 6240128 ATNMZCFBEFMZTA-UHFFFAOYSA-N 565.667 4.821 0 40 KJAB COc1ccccc1N1C(=O)[C@H]2N=NN(CC(=O)N3N=C4/C(=C/c5ccccc5)CCC[C@H]4[C@H]3c3ccccc3)[C@H]2C1=O 8454916 QXMLRYAGUGFTJP-UKQKAEAXSA-N 574.641 4.812 0 40 KJAB CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(=O)c3cccc(C(F)(F)F)c3)scc12 9381691 MSIGWUCMSMWUMS-UHFFFAOYSA-N 517.485 4.904 0 40 KJAB CCOc1ccccc1[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 13029952 NHJBCHLHYVYWCM-LJAQVGFWSA-N 511.626 4.659 0 40 KJAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)cc1C 33058630 HCWWPTMQIAORMZ-UHFFFAOYSA-N 512.635 4.685 0 40 KJAB CS(=O)(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)CC1 59331955 OCKNFTGTRWIFGS-DHZHZOJOSA-N 520.438 4.987 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc4ccccc34)S(C)(=O)=O)cc2)cc1C 59858624 HWHRSZBAFZMOIW-UHFFFAOYSA-N 537.663 4.662 0 40 KJAB CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2OC[C@H](C)NC[C@@H]1C 95680008 XGMSCYLPQZMHLL-YHGPEZAFSA-N 501.627 4.700 0 40 KJAB CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)O[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 97982571 PNDBFVGMOLOFFL-HNNXBMFYSA-N 528.608 4.686 0 40 KJAB CCN(CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccc(C(=O)OC)cc1 98047176 QURIJCGPQZRQHR-JOCHJYFZSA-N 527.415 4.619 0 40 KJAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 100094157 KMJQSMIDLDFVCU-UHFFFAOYSA-N 559.685 4.609 0 40 KJAB COc1ccc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)[nH]c2c1 100342422 XNBSHESCOMMWSB-MUUNZHRXSA-N 589.622 4.696 0 40 KJAB CC[C@H](c1nnnn1C[C@H]1CCCO1)N(CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 100371207 RUJMXIKUWJEWTL-XNMGPUDCSA-N 560.699 4.524 0 40 KJAB COc1cc(OC)c([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2ccccc2)cc1OC 101114986 BVYWYZXWCUQGJJ-KCHLEUMXSA-N 510.546 4.917 0 40 KJAB CCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3ccc(C(C)=O)cc3)nc3ccccc3c2=O)cc1 101625011 SDCHRDDRROBJMC-UHFFFAOYSA-N 528.634 4.518 0 40 KJAB CCc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)N4N=C(c5ccc(Br)cc5)C[C@H]4c4ccccc4)[C@H]3C2=O)cc1 101999934 ZVDPUOPDUMAJCJ-DOEKTCAHSA-N 585.462 4.683 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(OC(C)=O)cc3)c2=O)=N1 104677417 IOLUKMWCNIMHRV-DBXPASCUSA-N 532.662 4.627 0 40 KJAB O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1cccc(F)c1 105318681 IXHQAXULGWXDTF-UHFFFAOYSA-N 524.490 4.975 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)Cc2ccc(Cl)cc2)c(C)c1 108469322 UUPWHGIVRKLVMK-UHFFFAOYSA-N 501.004 4.824 0 40 KJAB COC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2cc3c(cc2Cl)OCO3)C1=O 215219868 IYVYNBHXZUELFK-NGYBGAFCSA-N 540.775 4.620 0 40 KJAB COc1ccc(C(=O)COC(=O)c2ccc(OC)c(NC(=O)CSc3nc4ccccc4o3)c2)cc1 215688604 QUAVCZYZTDASOL-UHFFFAOYSA-N 506.536 4.616 0 40 KJAB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 216005329 BEEVDRNFCGVBCI-HXUWFJFHSA-N 542.654 4.574 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 222456063 VXOWAMRMWDHDMG-FQEVSTJZSA-N 562.519 4.969 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)N(S(=O)(=O)c3ccc(Cl)cc3)CC4)CC2)cc1C 222579240 WLFKVLYXAUGZHZ-UHFFFAOYSA-N 618.177 4.838 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 222626249 JMUKCDHPVOWAPY-AREMUKBSSA-N 604.542 4.521 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1OC 222790204 IKADJTWKDJPYKJ-NRFANRHFSA-N 602.153 4.885 0 40 KJAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 222860306 NMLWLUSVACIYMY-NDEPHWFRSA-N 614.606 4.790 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 223002321 LACBMNMNYGUOMB-XMMPIXPASA-N 581.735 4.541 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 223285941 OTTCCCXPEWZAGA-JIPXPUAJSA-N 574.118 4.800 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1cc(OC)cc(OC)c1 223465582 GAKNWHFYPXTJAU-MUAVYFROSA-N 518.654 4.946 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc(OC)cc1 223499770 QSSQYFGYRLWNPK-RUZDIDTESA-N 525.443 4.613 0 40 KJAB 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C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@@H]2OC3(CCCCC3)O[C@@H]21 49782048 ZUVIBPJLHNVGBJ-VQPCXZAMSA-N 614.776 4.502 0 40 KJAB CCOc1ccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1Cl 57316687 GDCMIFBHHLUAFD-UHFFFAOYSA-N 510.340 4.785 0 40 KJAB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1 59490180 LLPGDEOZKXKXFG-UHFFFAOYSA-N 509.809 4.945 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(Br)cc2)Cc2ccccc2)cc1C 59836313 PDIGUXLOLCMVIM-LJQANCHMSA-N 531.472 4.834 0 40 KJAB COc1cc(CN(C[C@H]2CCCO2)c2nc(Nc3cc(C)ccc3C)c3nccnc3n2)cc(OC)c1OC 61997292 KWZUSSUBKOTMCF-OAQYLSRUSA-N 530.629 4.992 0 40 KJAB COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@H]1c1ccccc1Cl 97947650 UWYGGWWMRUCIEG-XXMKCSCWSA-N 569.466 4.992 0 40 KJAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)c1 97954141 QGGHOGJQZWHCFH-IARZGTGTSA-N 540.597 4.814 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccs3)c(=O)n2[C@@H]1c1ccccc1 97962721 WXIBAIFAJCZSFQ-ZEKHAJRLSA-N 552.681 4.713 0 40 KJAB COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1OC 100292563 WTHJWONNLOWVHF-LJAQVGFWSA-N 561.708 4.772 0 40 KJAB COc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](c4ccccc4)CC[C@H]3C2=O)c1 102138036 HJBMGJKFISZEGL-ZTCOLXNVSA-N 512.562 4.564 0 40 KJAB Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C1=O 102744331 IRHSOAZMWCCHOB-JCYYIGJDSA-N 540.597 4.814 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CCNC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)C2=O)cc(OC)c1OC 103042344 CSSRXJOJAFIBQH-OEAKJJBVSA-N 578.672 4.888 0 40 KJAB CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2cc(Br)cc(Br)c2OC)c1 104485951 IOYBPHPCVTVIED-UHFFFAOYSA-N 569.294 4.791 0 40 KJAB CCOc1cc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)CC)CC3)c(Cl)c2)cc(OCC)c1OCC 105316555 AXFJEZCWXFMNMY-UHFFFAOYSA-N 563.120 4.722 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 109659236 VRXKROYGFJGRIX-PRLWALMFSA-N 602.665 4.552 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)Cc4c(Cl)cccc4Cl)C3)cc2)c(OC)c1 150432595 KHCCFYUXIZAOBP-GOSISDBHSA-N 642.583 4.992 0 40 KJAB CCOc1ccc([C@@H](C)NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 215994299 NCQBJQVSTIOLDL-GOSISDBHSA-N 563.072 4.837 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 222424914 JBBKJSSWBMKXKS-HHHXNRCGSA-N 553.700 4.970 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 222487845 JALASPIAODXQKH-DEOSSOPVSA-N 536.138 4.835 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 222521142 HRQMDUMFUGEGJW-SSEXGKCCSA-N 607.679 4.555 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 222571034 IAFFGRBAMKPMQR-DEOSSOPVSA-N 522.111 4.561 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 223110518 KJDKFZRPVCBOEB-ISKFKSNPSA-N 553.700 4.970 0 40 KJAB COc1ccc(CNC(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 223298336 KSXFOYLAVSHYHV-YTTGMZPUSA-N 585.726 4.543 0 40 KJAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C(=O)NCc2ccccn2)c2ccccc2)cc1OC 223323328 RWGRZGVOQPLMET-SSEXGKCCSA-N 509.606 4.728 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 223594362 BDCJRPYUNVGQGF-NDEPHWFRSA-N 565.736 4.921 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223614342 BBIULYCZWJUBIV-GDLZYMKVSA-N 565.736 4.923 0 40 KJAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C)cc2Br)o1 223704425 NLGKHTOXPZHLHK-FGZHOGPDSA-N 500.418 4.948 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 223765463 YNSIMHLHWJZMSW-QFIPXVFZSA-N 542.529 4.792 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c(C)c1 223987946 PTCQAFFIMMJSIS-IBGZPJMESA-N 554.540 4.852 0 40 KJAB COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224183124 VMQVQNIARFQGFL-MHZLTWQESA-N 504.627 4.637 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 224235829 VOQAROPJSXGGNY-MHZLTWQESA-N 565.736 4.841 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 224258242 WSPBWTGGAIBLTE-XMMPIXPASA-N 534.122 4.589 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 224277297 WPSFBCOADWVNAK-NDEPHWFRSA-N 535.710 4.635 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(I)cc1 224324131 YCCSZUOFUUFCRN-RUZDIDTESA-N 574.434 4.975 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 224548592 YWKPRFCEFVQYQR-MHZLTWQESA-N 606.572 4.934 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 224582355 CJVZVHJOJSKUTP-JOCHJYFZSA-N 570.539 4.634 0 40 KJAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224620138 VABOXWZIXMTYKP-QFIPXVFZSA-N 542.529 4.526 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)c(C)c1 224647495 LUYDLDRQLAYMJC-QHCPKHFHSA-N 539.673 4.580 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 224906209 WNRMTPMQSSBGHT-GOSISDBHSA-N 542.529 4.826 0 40 KJAB COc1cccc(CN(C(=O)COc2ccc(I)cc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224950965 JODZASKHNFGOAX-SFHVURJKSA-N 550.437 4.545 0 40 KJAB COc1cc(OC)cc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 224980383 VMEGKZVFGULLLQ-GDLZYMKVSA-N 534.628 4.921 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 225265539 FZMKXIYLCRWUAR-HXUWFJFHSA-N 566.017 4.598 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cc2)ccc1OC 225301778 JGBNBRQMQRLWLR-IZLXSDGUSA-N 527.650 4.951 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)O)cc3)o2)ccc1OC 225306372 XOOQRAZBESNTSH-SXOMAYOGSA-N 558.616 4.810 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 225356519 YTYCPTBYYNUFNJ-BJKOFHAPSA-N 611.761 4.548 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)N[C@@H](C)CC)c2ccccc2)cc1 225362102 IFBQYNUTAXHGGM-ZEQRLZLVSA-N 581.735 4.621 0 40 KJAB Cc1ccc(S(=O)(=O)c2c(Nc3cccc(F)c3)nn(CC(=O)Nc3c(C)cccc3C)c2N)cc1 225529152 BNWHNIHBSJRDBP-UHFFFAOYSA-N 507.591 4.745 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 225566125 WBVLZTLICGTASD-FQEVSTJZSA-N 546.064 4.616 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225581328 JPPNXSSHBFWZSR-UHFFFAOYSA-N 508.059 4.895 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 225603847 MWCIELJBVQGSKE-HHHXNRCGSA-N 556.128 4.616 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 225609967 PDQMPHUJVRTIPG-LJAQVGFWSA-N 634.154 4.693 0 40 KJAB CC(C)Oc1cccc(N[C@H]2CC[C@@H](C(=O)N(CC(=O)O)Cc3c(F)cccc3Cl)CC[C@@H]2O)c1 257327506 XBPLAUSLFRIHTQ-CQLNOVPUSA-N 507.002 4.711 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c1 260782145 KPNIUDSSLNEWSC-XMMPIXPASA-N 563.720 4.675 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)c1 260785091 LGOMRDPZDZYNQB-JOCHJYFZSA-N 569.699 4.670 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 260877945 HMBIEJNYMGGTGT-RPBOFIJWSA-N 535.710 4.831 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 260885872 CNJNGEQPQGBJJZ-XMMPIXPASA-N 535.710 4.831 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 260959596 KVKIFVLLQPXJGC-UPVQGACJSA-N 553.700 4.970 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 260997327 DPFOPDARIYRJAF-LXFBAYGMSA-N 629.621 4.617 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 261015739 HQPDNJGXXGJWET-OALUTQOASA-N 617.006 4.989 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)cc1 261043652 ZPKPFQKSDVHMBG-HSZRJFAPSA-N 581.710 4.814 0 40 KJAB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 408641989 LTRFHZCNLUATPH-WDASPDQCSA-N 539.415 4.684 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C\c3ccccc3OC(C)C)c2=O)=N1 408920540 JWMPTLWLBGFFNG-CMISJSSVSA-N 527.621 4.800 0 40 KJAB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc(I)c1OCC(=O)O 409001752 KACTTYPMVNDBJE-UHFFFAOYSA-N 540.379 4.800 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)c2cccc(Br)c2)cc1 409028132 HPGCPMPDFSTMCK-UHFFFAOYSA-N 556.482 4.828 0 40 KJAB CCOc1ccc(N([C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 409029078 VNCLZVFTFLEFCX-HNNXBMFYSA-N 505.489 4.596 0 40 KJAB CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c(Br)c3Br)N(C)C2=S)cc1 409032580 JIGBAAHOOQPVJF-ZROIWOOFSA-N 542.249 4.929 0 40 KJAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCC)c(I)c3)C2=O)cc1 409102179 CZZILXFMKQTTMS-XDHOZWIPSA-N 552.390 4.764 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1O[C@@H](C)CC 409193912 HRJZALAOXHURME-HLNOYYKJSA-N 539.654 4.774 0 40 KJAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)ccc1OCc1ccc(Cl)cc1 409203887 YVNGIESPRXVNDI-CIAFOILYSA-N 509.921 4.598 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)c(Br)cc1O 409217208 AKLWXLBPPMTHKG-BNCCVWRVSA-N 515.744 4.631 0 40 KJAB COc1cc(C(=S)N2CCCCC2)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409257768 SDNJOJBRBGYZBB-UHFFFAOYSA-N 524.424 4.787 0 40 KJAB COc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)ccc1OCC(=O)Nc1ccccc1Cl 409265652 NFFNMRDLMLVSNU-UHFFFAOYSA-N 510.059 4.859 0 40 KJAB CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(C)c2C)C1=O 409270006 NNHATPCBBIFPPW-RGVLZGJSSA-N 547.427 4.683 0 40 KJAB Cc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cc(I)cc3C)n2C)cc1 409361421 RUAUSCWTTDZVHE-UHFFFAOYSA-N 522.412 4.655 0 40 KJAB Cc1cccc(CS(=O)(=O)N2CCC(Cc3nc(N4CCC(Cc5ccccc5)CC4)ncc3C(=O)O)CC2)c1 585269163 KZPOVYGPVTWZFX-UHFFFAOYSA-N 562.736 4.727 0 40 KJAB C[C@H]1COc2ccccc2CCCCC2(CCN(C(=O)CCCc3nc(-c4ccco4)no3)CC2)C(=O)N1 643562320 IRYHTMYRFZGXOX-NRFANRHFSA-N 520.630 4.571 0 40 KJAB CC(C)(C)OC(=O)CC[C@@H](NC(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1857780917 GCWQARMEHCFDNQ-WOJBJXKFSA-N 587.755 4.523 0 40 KJAB COc1ccc(CN(Cc2cc3c(C)ccc(C)c3[nH]c2=O)S(=O)(=O)c2c(C)ccc3nsnc23)cc1 925515 AUBQLRRRPXKDCD-UHFFFAOYSA-N 534.663 4.858 0 40 KJAB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(I)o2)C1=O 1106516 KIZJMGKQDBLOSP-QPEQYQDCSA-N 552.268 4.587 0 40 KJAB COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)c(OC)c1 1372623 WAMBYXBRFNCJJN-SSEXGKCCSA-N 535.604 4.539 0 40 KJAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 1374073 HHTGJWJCPXVRFO-HHHXNRCGSA-N 512.614 4.880 0 40 KJAB CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O 1374420 DVRWIGPIQDZUGP-HHHXNRCGSA-N 512.589 4.864 0 40 KJAB C[C@H](Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O 2126812 WEEYIODOKASRRM-MQNRADLISA-N 546.963 4.880 0 40 KJAB biogenic COC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 2146996 WGALZPZENZVWHY-MUUNZHRXSA-N 536.584 4.679 0 40 KJAB biogenic O=C(CCCCCn1c(=O)c2sccc2n(Cc2ccccc2Cl)c1=O)NCc1ccc2c(c1)OCO2 2687309 XJQHJHIOWNAGQX-UHFFFAOYSA-N 540.041 4.532 0 40 KJAB O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O)NCCc1ccccc1 2968753 VALGFLRZRLBIMD-HSZRJFAPSA-N 503.027 4.981 0 40 KJAB Cc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3cc(-c4ccco4)nc4ccccc34)cc2)no1 3281187 YPCVFMJNUARWMZ-UHFFFAOYSA-N 533.591 4.719 0 40 KJAB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5c[nH]c6ccccc56)c(=O)n42)c2ccccc2CC3)cc1OC 8441474 QIWRZGPHQSWPRW-MIUGUJGPSA-N 519.626 4.817 0 40 KJAB COc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N1CCOCC1 8692794 AQTPXNJUJBRNJD-UHFFFAOYSA-N 520.529 4.654 0 40 KJAB CCc1cccc2sc(N(Cc3ccccn3)C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)nc12 10187132 ZSEGVLIDMCVAPJ-IBGZPJMESA-N 512.682 4.702 0 40 KJAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cccc(-c2nn3c(C)nnc3s2)c1C 14274345 ZBPVAVLNRSOQRR-UHFFFAOYSA-N 507.428 4.912 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 22431074 XMRYUHWULRPJHL-UHFFFAOYSA-N 517.003 4.668 0 40 KJAB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccccc4)nn3c2=O)cc1C 27018510 QDDMZMNSTUFFEP-UQQQWYQISA-N 505.603 4.926 0 40 KJAB COc1cc(NC(=S)NC(=O)c2cc(I)ccc2Cl)ccc1-c1ccc(CO)o1 59825754 PRHNZCGKXIGNSK-UHFFFAOYSA-N 542.782 4.832 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2cccc(Br)c2)Cc2ccccc2)cc1OC 59834815 RGFMMJLHVSBJMB-SFHVURJKSA-N 547.471 4.535 0 40 KJAB CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)S(C)(=O)=O)cc1 59883846 WKDVSUVLCGWMMM-HXUWFJFHSA-N 567.689 4.833 0 40 KJAB COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2Cc2ccc(OC(F)(F)F)cc2)cc1 98005780 ZWUCOTLNRAQMBT-QHCPKHFHSA-N 571.577 4.899 0 40 KJAB CCN1C(=O)/C(=C\c2nc3ccc(I)cc3c(=O)n2-c2ccccc2)c2ccccc21 100022831 CMHUYUITDZNQRW-CYVLTUHYSA-N 519.342 4.897 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(Cc1ccccc1F)C(=O)Cn1nnc2ccccc21 100355771 BWUARPRDZAKCPN-HHHXNRCGSA-N 547.631 4.663 0 40 KJAB CCOC(=O)C1=C(COC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccco1 102220547 ZXXWFMAPRYLHAO-FWFQWLPWSA-N 568.586 4.569 0 40 KJAB Cc1ccccc1Nc1nc(N)nc(CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCCC4)n1 103070683 IFDAWMMQLCFAET-MRXNPFEDSA-N 535.699 4.627 0 40 KJAB CCOc1ccc(NC(=O)c2ccc(NC(=O)CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)cc2)cc1 103139004 DCCKWWUPPHRFCC-UHFFFAOYSA-N 548.599 4.772 0 40 KJAB O=C1c2ccccc2C(=O)N1CN(C(=O)c1ccc(Cl)cc1)c1ccc(I)cc1 105637823 OZYSMUJQZFMHRH-UHFFFAOYSA-N 516.722 4.845 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2C)cc1 139134424 DRJYKEIHXPYXAI-UHFFFAOYSA-N 519.392 4.615 0 40 KJAB CCOC(=O)c1ccc(NC(=O)COc2c(I)cc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(O)c(OCC)c3)C(C(=O)OC)=C(C)N=4)cc2OCC)cc1 150522906 BYOKSIVSKJFZFL-FAVIKPSQSA-N 841.677 4.710 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 163748194 SIEVJICSSSESFS-KLKBWYFJSA-N 651.535 4.657 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 222569316 KOQJXTISZUSQSY-VAVYLYDRSA-N 549.737 4.955 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)N(C(=O)c3ccc(OC)cc3)CC4)C2)cc1Cl 222604809 OFOGVGWKKQKFNN-JOCHJYFZSA-N 598.121 4.990 0 40 KJAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)COc4ccc(S(=O)(=O)N[C@H](C)c5ccccc5)cc4)cc32)cc1 222643918 JHHRTRNKDCILHG-JOCHJYFZSA-N 585.682 4.955 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Cl)cc1 222959275 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4.792 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 223980647 WTYVDFLXHFMEOY-SKCUWOTOSA-N 586.154 4.669 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 224401399 NSOKRNOVAGRTCG-AREMUKBSSA-N 574.118 4.800 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)c2ccccc2)cc1 224438655 HFGXKPYQJJBQRU-UHFFFAOYSA-N 508.625 4.746 0 40 KJAB Cc1ccc(Cl)cc1N(CC(=O)NCc1cccc(CN2CCCC2)c1)S(=O)(=O)c1ccccc1 224594868 BCSZZTSTVXYLHZ-UHFFFAOYSA-N 512.075 4.756 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 224597418 IDBJTPLUIDVFNN-AREMUKBSSA-N 564.148 4.761 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 224599519 SOHHCUFWQNJESX-SSEXGKCCSA-N 593.790 4.925 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 224978593 UAFCTQWVFVHDTD-JWQCQUIFSA-N 535.710 4.831 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Cl)cc1 224992209 KTVAVCSZURQVOO-JOCHJYFZSA-N 602.153 4.886 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)c1ccc2c(c1)OCCO2 225000898 CDFYSEGOQRPWNV-MHZLTWQESA-N 658.615 4.541 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225079559 BXVGGKSZCOUFAK-RUZDIDTESA-N 564.148 4.679 0 40 KJAB COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)o2)cc1 225469976 WECNLJOJLKJKBE-CLJLJLNGSA-N 562.673 4.985 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225498658 UJQBXHXADUGHAB-VWLOTQADSA-N 535.710 4.749 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 225507671 BVAZPHJIKQQIMA-RBJSKKJNSA-N 595.762 4.930 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 225600264 ULQZDWJDYUXBGO-GDLZYMKVSA-N 606.144 4.930 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 225655553 ADPAOSUTQZTRFM-SSEXGKCCSA-N 597.753 4.937 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225656277 QEHFNCIBMZFUDD-YADARESESA-N 570.127 4.756 0 40 KJAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)c1 225802289 JULWAUOFXOTANB-UHFFFAOYSA-N 503.001 4.742 0 40 KJAB CC(C)Sc1nnc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)s1 225808576 HAZPIXJWYWIPPO-UHFFFAOYSA-N 513.091 4.918 0 40 KJAB CC1(C)CC2(CCN(CC(=O)Nc3nc4ccc(Cl)cc4s3)CC2)CN1S(=O)(=O)Cc1ccccc1 257232905 GMYGKCMYXLNGMT-UHFFFAOYSA-N 547.146 4.985 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260784974 JZLYXIDKYPDQFK-XMMPIXPASA-N 527.731 4.716 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)c1 260819636 XEEYGSLASPOFAP-RUZDIDTESA-N 577.747 4.983 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 260823502 YRWVUSRPDQSTAT-JOCHJYFZSA-N 569.699 4.670 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c(C)c1 260852384 FGJMGKWZLJGBKW-MUUNZHRXSA-N 570.155 4.888 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 260910318 XTVYQVNLPLQXQD-HSZRJFAPSA-N 569.699 4.670 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 260918388 GIIVENMNPKFITO-PKTZIBPZSA-N 539.673 4.661 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c1 260941432 OPDDUAVEBAEURZ-MUUNZHRXSA-N 614.606 4.936 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 260952375 KBXNVXDWGAJVCE-CPJSRVTESA-N 552.137 4.617 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccccc1C)[C@H](CC)C(=O)N[C@H](C)CC)S(C)(=O)=O 260973305 MTVFZKYDIAUJOI-ILBGXUMGSA-N 545.746 4.662 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 260987132 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)cc4)o3)c(=O)n2[C@H]1c1ccc(C)cc1 408826802 LJOFZUMSQPTBEC-XXMKCSCWSA-N 502.567 4.506 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC 408909553 VBTBGTQORWCBGP-IVQFASICSA-N 658.729 4.522 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC 408916437 XMWIPCOSNOVFQX-ZIPXEUHISA-N 683.602 4.710 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4F)c(OC)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 408949202 SEMFNKHYRLMKTR-DQARITGZSA-N 609.075 4.797 0 40 KJAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCc1ccccc1Cl 409021449 IJGIXVYKFSFWBL-LPYMAVHISA-N 505.958 4.767 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2C)c2ccc(C)cc2)cc1 409026895 FCOXSSSHHPEBLY-UHFFFAOYSA-N 512.697 4.947 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(I)cc3)c2=O)=N1 409030299 CXNNKTZTSSWHCG-RQLGBQGVSA-N 667.363 4.954 0 40 KJAB CCOc1cc(/C=C2/C(=O)N(CC)C(=S)N2C)cc(I)c1OCc1ccc(F)cc1 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COc1ccc2cc([C@@H]3C4=C(CN(C(C)=O)C4=O)Nc4cccc5c4c3cn5CCC(C)C)c(=O)n(C)c2c1 524729039 AHHLZGCILJSPBN-MHZLTWQESA-N 524.621 4.748 0 40 KJAB biogenic CCCc1nc(N2CCC(Cc3ccccc3)CC2)ncc1C(=O)N(CC(=O)O)Cc1cccc(F)c1 585268045 VAMLDCUNXACOBV-UHFFFAOYSA-N 504.606 4.754 0 40 KJAB CC(C)N(Cc1ccccc1)C(=O)CN1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1 643588980 OOOXJRBJPLHKMB-UHFFFAOYSA-N 505.703 4.818 0 40 KJAB COc1ccccc1OCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)cc1 679952 NCGOTESFLCEMQV-UHFFFAOYSA-N 524.986 4.771 0 40 KJAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 901134 SMIBBBSJTHNHIS-CYBMUJFWSA-N 519.501 4.855 0 40 KJAB CC[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2cccc(OC)c2)Cc2ccccc2Cl)cc1 933160 LQAAXTTVSVGTKN-LJQANCHMSA-N 537.103 4.817 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CSc2nc(NC(=O)c3ccccc3)c3c(C)c(C)oc3n2)cc1 1472948 HGSWTUGDMFCOFV-UHFFFAOYSA-N 504.568 4.999 0 40 KJAB CCCOC(=O)c1ccc(NC(=O)c2c(C(=O)Nc3ccc(F)cc3)sc3nc(CCC)cc(=O)n23)cc1 1785893 DFOQTIPTQDTTSK-UHFFFAOYSA-N 536.585 4.919 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4F)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1 2148283 GGAXUDHLIQXPKP-HDFSHUSISA-N 572.658 4.915 0 40 KJAB CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)Nc1ccc2ccccc2c1 3342256 IVQIQZMOTOOXJI-QFIPXVFZSA-N 509.411 4.631 0 40 KJAB O=C(NC1CCCCC1)[C@@H](c1ccccn1)N(Cc1ccccc1Cl)C(=O)Cn1nnc(-c2ccccc2)n1 6474536 IUFYFCPTBONCGO-HHHXNRCGSA-N 544.059 4.608 0 40 KJAB COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc3ccccc23)cc1 7059924 GPDMMEXPYARURR-HHHXNRCGSA-N 565.655 4.691 0 40 KJAB COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)CN3C(=O)C(=O)c4ccccc43)CCCCC2)cc1 8713465 RSTVRSNLYDIGFN-UHFFFAOYSA-N 543.595 4.734 0 40 KJAB O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1 9366238 YQHHLCUIMAXLDA-UHFFFAOYSA-N 509.440 4.934 0 40 KJAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 10444444 OLALDEFZKQJMIL-UHFFFAOYSA-N 517.003 4.668 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 10447056 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COc1cc([C@@H](CC(=O)NCCCO)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC 1547138473 MGQJBZJVTRUARG-GBXCKJPGSA-N 613.704 4.626 0 40 KJAB biogenic COC(=O)c1cnc(N2C[C@@H]3CCCCN(C(=O)Cc4ccccc4OC)[C@H]3C2)nc1CCC1CCCCC1 2037873666 VDYXORLNLJWBTG-IGKIAQTJSA-N 534.701 4.845 0 40 KJAB COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(OC)cc3OC)n2-c2ccc(C)cc2)cc1 906704 OYQFQFDFTIGOQL-UHFFFAOYSA-N 520.611 4.911 0 40 KJAB CCOc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)cc1 1372587 GVITXYSDAFIYGH-SSEXGKCCSA-N 519.605 4.921 0 40 KJAB COc1ccc(NC(=O)[C@@H](c2cccc(OC)c2)N(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)cc1 1419094 WENZAXATVOQLFM-SSEXGKCCSA-N 553.594 4.996 0 40 KJAB CC[C@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn12)C(=O)NCc1ccc(C)cc1 2969256 DRZBWEXIWCFLRJ-DEOSSOPVSA-N 513.671 4.829 0 40 KJAB CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)CO[C@@]3(O)CC 3918170 HJJHCRZQVMWZSJ-YTTGMZPUSA-N 558.679 4.522 0 40 KJAB in-vitro 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COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)c(OC)c2)cc1OC 100292777 BWJZPHOQANYTAI-HKBQPEDESA-N 587.677 4.689 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)c(OC)c1 100356849 GYHMHSHINVLBFC-MHZLTWQESA-N 533.604 4.667 0 40 KJAB CCc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)cc1 100363971 YCMLKRBMNFRAKE-PMERELPUSA-N 538.652 4.785 0 40 KJAB COc1ccc(CN(Cc2ccco2)[C@H](c2cccc(F)c2)c2nnnn2CS(=O)(=O)c2ccc(C)cc2)cc1 100458484 JMKPPCCHYAXTME-MUUNZHRXSA-N 561.639 4.945 0 40 KJAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1)c1ccc(-c2ccccc2)cc1 100664122 XUNCLLAZQVCLKF-YEPDLNCFSA-N 503.554 4.951 0 40 KJAB O=c1c2cc3c(=O)n(-c4ccc(Oc5ccccc5)cc4)c(=O)c3nc2c(=O)n1-c1ccc(Oc2ccccc2)cc1 100927249 YEKPXLYYIAYHLE-UHFFFAOYSA-N 553.530 4.870 0 40 KJAB COCCNC(=O)c1ccc(Cn2c(SCc3cc(=O)n4cc(Cl)ccc4n3)nc3ccc(Br)cc3c2=O)cc1 150434151 NYMMHQWCCCAMDP-UHFFFAOYSA-N 640.947 4.537 0 40 KJAB O=S(=O)(O)c1ccc2cc3nn(-c4ccc(/C=C/c5ccc(-n6nc7cc8ccc(S(=O)(=O)O)cc8cc7n6)cc5S(=O)(=O)O)c(S(=O)(=O)O)c4)nc3cc2c1 195791975 WXIHBQNRRSQTAQ-OWOJBTEDSA-N 834.848 4.618 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 222635389 YQRYGCFGZRULAW-HHHXNRCGSA-N 573.662 4.501 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 222686714 XHPNIFJSJCJKNP-HHHXNRCGSA-N 574.118 4.657 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 222859711 ROFDERYYUDIPNZ-SSEXGKCCSA-N 696.222 4.956 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223054834 YDKHZKBYGYZQNN-FGZHOGPDSA-N 662.205 4.902 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 223127442 SRWRWWFGIPQXSU-RUZDIDTESA-N 578.518 4.751 0 40 KJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3cccc(Cl)c3Cl)o2)N1CCN1CCOCC1 223158863 MKQJVBXUXOFDIL-GOTSBHOMSA-N 503.455 4.953 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 223250781 ZBWHPXUILNGJJV-HSZRJFAPSA-N 599.725 4.680 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 223259657 XWXLQGXGJXJPGD-HSZRJFAPSA-N 569.699 4.672 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 223324672 FOIUUPBMCJDBGX-IBGZPJMESA-N 572.555 4.882 0 40 KJAB COc1ccc(-c2nnc(NC(=O)CCCN(c3ccc(Cl)c(Cl)c3)S(C)(=O)=O)s2)cc1 223394918 JXWDVOILPHYQKD-UHFFFAOYSA-N 515.444 4.705 0 40 KJAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 223537922 WMBCQZQAMKQOMC-AREMUKBSSA-N 549.737 4.875 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 223611348 YVGLVYZQBDTYKD-MUUNZHRXSA-N 599.725 4.760 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223913912 PDECJXCTXRJQMA-JOCHJYFZSA-N 542.529 4.792 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 224025111 WVBHXOQFSMNJRF-VWLOTQADSA-N 552.137 4.619 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 224060066 WWUHQBMVNFSWFC-HKBQPEDESA-N 571.743 4.935 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Br)cc1 224113576 MBNNSGSWTJXPMO-MHZLTWQESA-N 616.578 4.987 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 224245690 MHOGAXSBFYGCHT-MHZLTWQESA-N 572.127 4.796 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(OCC)cc1)S(C)(=O)=O 224365160 MEYWTAAKHWFVIB-PMERELPUSA-N 597.753 4.937 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224445148 DSCFFDXUGWJKME-MHZLTWQESA-N 611.736 4.655 0 40 KJAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224605540 OHBFABQNFHQIMT-MHZLTWQESA-N 586.154 4.838 0 40 KJAB CC(C)CSc1nnc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)s1 224625841 SBTOAIJOTAOQRJ-UHFFFAOYSA-N 523.533 4.774 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224642273 IKVABIKTVDBHSP-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 224697290 PMILZAGPUGODTR-LJQANCHMSA-N 538.085 4.501 0 40 KJAB Cc1ccc(C)c(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 224725747 XNHRQAMRLXKWSN-NRFANRHFSA-N 566.562 4.554 0 40 KJAB CCOc1ccc(N(CC(=O)NCc2ccccc2CN2CCCC2)S(=O)(=O)c2ccc(SC)cc2)cc1 224767646 DFTPOQWYFRGGHF-UHFFFAOYSA-N 553.750 4.915 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 224876860 LFLCKGNYXFFBGP-LJAQVGFWSA-N 598.165 4.814 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 225181183 PVLPRRCZAQLQOZ-GDLZYMKVSA-N 565.736 4.674 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2cccc3cccc1c23 225216759 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CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 225508755 WVDUVFHKINIQCJ-QDPGVEIFSA-N 611.736 4.823 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225550572 VMKIXBUTOYDKEX-SQJMNOBHSA-N 536.138 4.917 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 225644908 XHYFLJZKFARQRH-NDEPHWFRSA-N 630.605 4.780 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 225731410 AGGPOXZHSJYXEP-MHZLTWQESA-N 641.787 4.557 0 40 KJAB CCc1ccc([C@@H]2[C@H](C(=O)OCc3ccccc3)C(=O)C[C@@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1 253564362 GKIPAPMKVIHATA-QNCJLPSESA-N 500.591 4.776 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 260727280 IVWICBHTTWZVEW-XMMPIXPASA-N 581.735 4.540 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC(C)C)c2ccccc2OC)cc1 260847392 CXIZJHHFZAZIBX-OAQYLSRUSA-N 632.577 4.604 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc(CN4CCCCC4)cc3)Oc3ccc(C)cc32)cc1 260891002 WGRWYEUUTSPBDS-GDLZYMKVSA-N 533.694 4.562 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 260909210 FPJZFXUJMZDZQN-RPBOFIJWSA-N 625.788 4.938 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 260916039 ZMKAFSCLQNIQDB-HHHXNRCGSA-N 600.579 4.688 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 260988173 PKUXTKRHONLJQD-OFNKIYASSA-N 552.137 4.617 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 261009981 GORXKGPJOKHYQQ-YADHBBJMSA-N 616.578 4.985 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 261040225 YLLQYPIFWMLXGT-IRLDBZIGSA-N 536.138 4.569 0 40 KJAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1OC 408620111 KAKKBTNIPBTIPV-UHFFFAOYSA-N 577.055 4.603 0 40 KJAB 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Sc4nc(C)cc(O)n4)o3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC 409102052 CHZJGDPPLZDEQV-RSCAPRFBSA-N 722.437 4.880 0 40 KJAB CCCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1OC 409200369 LBGGMORKDDUXSJ-JAIQZWGSSA-N 610.426 4.535 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc(I)c1OCC 409207071 OEDJQSOTOHNMJZ-RGVLZGJSSA-N 610.426 4.535 0 40 KJAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3OCC(=O)O)C2=O)cc1 409329863 HXEPJCLIXOQNBD-VXLYETTFSA-N 533.400 4.711 0 40 KJAB CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 409351439 SYTOBMIOUNTMKR-PKNBQFBNSA-N 504.443 4.974 0 40 KJAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1OCc1ccccc1 409375139 GEDOQUVEQJDXDY-QQXSKIMKSA-N 514.603 4.895 0 40 KJAB CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1Cl 409387056 STBWIQIFYWAMQC-LZYBPNLTSA-N 514.339 4.551 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 409411239 VCCIPWJMUUMXSY-UHFFFAOYSA-N 539.610 4.988 0 40 KJAB Cc1ccccc1CCc1nc(N2CCC[C@@H]2c2ccc(Cl)cc2)ncc1C(=O)N1CCN(C)CC1 585266505 AWJIXRPYXJNDFY-HHHXNRCGSA-N 504.078 4.953 0 40 KJAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3C3CCCCC3)cc2c1 925935 ZLMQVSGOFWAWHZ-UHFFFAOYSA-N 500.603 4.513 0 40 KJAB COc1ccc(CN(C(=O)CSc2nc(C)cc(C)n2)C2(C(=O)Nc3ccc4c(c3)OCO4)CCCC2)cc1 1407578 AIKGDHKZJMIIRM-UHFFFAOYSA-N 548.665 4.903 0 40 KJAB CC[C@H]1N[C@]2(C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12 1430431 SBGUJUZVKRHORC-LBCJCTBSSA-N 550.442 4.932 0 40 KJAB C[C@@H]1CN(c2ccc(Oc3ccccc3)cc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1 2419457 ZCTGMQZFVOZLHO-LJQANCHMSA-N 511.557 4.664 0 40 KJAB COc1cc(/C=C/C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC 3287398 YHTZAFOYMLJZIM-BUHFOSPRSA-N 587.654 4.630 0 40 KJAB Cc1ccc(NC(=S)N(Cc2ccc3c(c2)OCO3)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 6245303 XPRFFTNHKCGWPX-UHFFFAOYSA-N 501.564 4.693 0 40 KJAB CCOc1ccccc1NC(=O)c1sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(C(=O)OC)c1C 6631554 CVTPHQHGBMEZIC-UHFFFAOYSA-N 528.583 4.772 0 40 KJAB COc1cc(Br)cc(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)c1O 8429964 XXOCCANTASZFBN-UHFFFAOYSA-N 589.490 4.939 0 40 KJAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 8692812 PPWNKGBEALGQDT-UHFFFAOYSA-N 520.529 4.654 0 40 KJAB CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCc3cc(OC)cc(OC)c3)c(=O)cc21 8766481 RXMPWBKTUWGCMI-QHCPKHFHSA-N 506.599 4.576 0 40 KJAB biogenic CCOC(=O)C1=CC2(SC(C(=O)OC)=C(C(=O)OC)S2)C2=C(S1)C(C)(C)Nc1ccccc12 8846773 LNMBEHGHXDCNRJ-UHFFFAOYSA-N 505.639 4.530 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2F)c2ccc(Cl)cc2)cc1 10281140 JHDMVWMOXQDZJL-UHFFFAOYSA-N 523.051 4.733 0 40 KJAB C[C@]12C(=O)N(Cc3ccco3)CC(=O)N1C[C@@H](c1ccc(Br)cc1)c1c2[nH]c2ccccc12 12876598 SERDFHHGTIOHEU-FNZWTVRRSA-N 504.384 4.755 0 40 KJAB biogenic CCOc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1 13029973 FEVYGASVGZKPTM-LJAQVGFWSA-N 527.625 4.672 0 40 KJAB 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CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCCCCOc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 150476011 VEJQWABSQQTXIB-NSOVKSMOSA-N 638.812 4.636 0 40 KJAB CCOC(=O)C1=C(COC(=O)Cc2c(C)nn(CC3=C(C(=O)OCC)[C@@H](c4ccc(Cl)cc4)NC(=O)N3)c2C)NC(=O)N[C@H]1c1ccc(Cl)cc1 150496173 PVUXTJLCYABVEQ-JSOSNVBQSA-N 739.613 4.635 0 40 KJAB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1 197831261 ADQGAIAAJRXSRF-MTJSOVHGSA-N 537.391 4.505 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 222461753 UOWRNLQZTLAMGD-MHZLTWQESA-N 521.683 4.522 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 222462029 POJPEPLHWYOQQT-NDEPHWFRSA-N 535.710 4.831 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 222509333 ORLDQPWGQWXSLM-WXVAWEFUSA-N 569.699 4.752 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 222586305 MTKBYGSHFHVJST-AREMUKBSSA-N 593.643 4.777 0 40 KJAB 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CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224759417 BBYZVCIYAOQCPS-MHZLTWQESA-N 557.663 4.740 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224804275 VBGZAQSCPOVGJC-NDEPHWFRSA-N 570.155 4.888 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224974204 IGFBYDAKKOMIPY-QGZVFWFLSA-N 546.492 4.622 0 40 KJAB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 225006525 CYOZPDFCWCXWDE-MHZLTWQESA-N 638.584 4.683 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 225116308 ULUARTZPCPBZGJ-VWLOTQADSA-N 552.112 4.810 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 225259526 DDQUJPBSKQTJGV-JKSUJKDBSA-N 593.371 4.854 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 225292454 ZEIIOWFNNKYNRG-RTBURBONSA-N 542.529 4.708 0 40 KJAB 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4.873 0 40 KJAB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3O)c(=O)n21 408939336 BDMZJXOQRGNOCV-YMAYPHAPSA-N 703.780 4.922 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCC(C)C)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 409017866 QWSHAOKRBZYTLR-JGAIACPSSA-N 582.678 4.699 0 40 KJAB CCOc1cc(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=S)N2CC(=O)OC)cc(Br)c1OC 409060912 AEFRYDAUMGYXMF-UNOMPAQXSA-N 533.444 4.566 0 40 KJAB CCn1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c2ccccc21 409087307 SVDNPIGVRWOPPQ-PQRKSKNISA-N 548.668 4.857 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(Cl)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409093990 CEOKKIIATHFKEW-FBRKSOCZSA-N 576.118 4.927 0 40 KJAB CCc1cccc2c(/C=C3/C(=O)N(c4ccc(C)c(C)c4)C(=S)N3C)cn(CC(=O)NC[C@H]3CCCO3)c12 409130123 KKJGDWGKNFSDQP-IAGVPYNFSA-N 530.694 4.720 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(I)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 409140077 DEHNJJGVLHRWHI-UHFFFAOYSA-N 580.444 4.759 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 409236093 QYADYLVWOCXXNM-XSFVSMFZSA-N 549.443 4.938 0 40 KJAB COC(=O)COc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)cc1OC 409273365 QAXYNCSSGBVTMJ-FBCYGCLPSA-N 583.844 4.646 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCC(C)CC4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409274961 RMLGVAAIWKTTMN-LTHLYLQDSA-N 571.699 4.789 0 40 KJAB CC(C)N1CCCN(C(=O)c2ccncc2)c2ccc(F)cc2CN(C(=O)Cc2ccccc2F)CC1 643567296 YBRVYEBFXPWBRJ-UHFFFAOYSA-N 506.597 4.692 0 40 KJAB CC(C)CN1CCCN(C(=O)c2cscn2)Cc2cc(F)ccc2N(C(=O)c2cccnc2)CCC1 643573212 WAFJGOFZZIJGJJ-UHFFFAOYSA-N 509.651 4.718 0 40 KJAB COc1cc([C@@H](CC(=O)NCC(OC)OC)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC 1547138931 IEDQDGJSJLJWKV-GBXCKJPGSA-N 643.730 4.863 0 40 KJAB biogenic CCc1cc(C(=O)N2CCC3(CC2)C[C@@H]([C@H](O)c2ccccc2)N(Cc2cccc(Cl)c2)C3=O)on1 2037873484 OQWBPDAZTPMWRJ-UKILVPOCSA-N 508.018 4.648 0 40 KJAB CC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1325165 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CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4OC)[C@@H]3C2=O)cc1 9281041 USMLGOCMAVDZAG-VJGNERBWSA-N 518.566 4.552 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3F)[C@H](C(=O)NC(C)(C)C)c3cccs3)n2)cc1 12478657 JHGOEWHCUITKJP-DEOSSOPVSA-N 520.634 4.534 0 40 KJAB CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CCN(C(=O)c2ccccc2)CC1 13128622 ROWULWFNLOJJLW-UHFFFAOYSA-N 505.640 4.605 0 40 KJAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc2N2CCCCC2)cc1 13138256 QLKBIMUZCLQELS-UHFFFAOYSA-N 525.627 4.756 0 40 KJAB CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccccc1OC)Cc1cc2cccc(C)c2[nH]c1=O 13500862 DBGDNBJSRJWPDB-LOSJGSFVSA-N 516.646 4.554 0 40 KJAB COC(=O)c1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3)n2)cc1 17244727 QXIAAGDSXYHHIO-CALCHBBNSA-N 513.641 4.516 0 40 KJAB COc1ccc([C@@H](C)NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC 20012542 SPNXQLMQOGBOLV-LJQANCHMSA-N 517.047 4.734 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3F)c(Cl)c2)cc1 20023484 ZKUMLTBVFCVKQF-UHFFFAOYSA-N 514.909 4.974 0 40 KJAB Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN(Cc4ccc(Cl)cc4)CC3)cc2c1 20083219 UYYFOIRUXSVGTC-MHZLTWQESA-N 532.092 4.807 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 20235660 WSBKUXAQKZOQJC-UHFFFAOYSA-N 503.418 4.909 0 40 KJAB COc1ccc(N(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 22535688 ZCTZINPIRAKRIF-OAQYLSRUSA-N 526.655 4.710 0 40 KJAB COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2Sc2ccccc2)CC(=O)N3)cc1 40399866 IYHNZANOMYJAAT-LJQANCHMSA-N 513.579 4.738 0 40 KJAB O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12 70704553 FGEMETYZWREDLH-GCRSFRQPSA-N 554.650 4.682 0 40 KJAB biogenic CC[C@H](c1nnc(SCC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)n1Cc1ccccc1)N(C)C 89948057 RMUUGPXFSWKEQF-HSZRJFAPSA-N 503.676 4.872 0 40 KJAB COc1ccc(C(=O)[C@H](C)OC(=O)CCCC(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(C)cc3)cc2)cc1 97947902 RSRZYBVFZAECPW-NRFANRHFSA-N 545.588 4.967 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 100060384 DLFFPFMSBOQMRY-XXMKCSCWSA-N 535.021 4.720 0 40 KJAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC(c4nc5ccccc5s4)CC3)cc2)C1 100176622 QLRGLLUBFXJEEQ-OALUTQOASA-N 533.741 4.531 0 40 KJAB Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(=O)NC3CCCCC3)c2N)C2CCCC2)cc1 100295159 SSCBHROOAILHNE-ZEQKJWHPSA-N 567.756 4.518 0 40 KJAB COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2c(C)cccc2C)c1OC 100365435 OMEBAYZOBAZZAA-GDLZYMKVSA-N 541.652 4.899 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCCO2 100367340 ZOZYKFFOIUXPQX-HHHXNRCGSA-N 548.043 4.935 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1OC)N(C(=O)CCC(=O)Nc1cc(C)on1)c1ccc(OC)cc1 100415896 OGQWMALZPNQWKP-MHZLTWQESA-N 566.655 4.807 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OCC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 103789046 TWUXCWRKZFXNOB-FBHQFGEZSA-N 581.012 4.792 0 40 KJAB CC[C@H](C)[C@@H](NC(=O)CNC(=O)CCc1c(C)c2cc3c(-c4ccccc4)c(C)oc3c(C)c2oc1=O)C(=O)O 104243701 WNFVFFJPQGXZIU-RKOGDMNLSA-N 546.620 4.796 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(Br)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 112246778 DZTDULZQAXIHJM-UHFFFAOYSA-N 539.835 4.954 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC)S(C)(=O)=O 222486672 SMCVYCQTXUJGNT-MHZLTWQESA-N 586.154 4.671 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 222775795 TZLGEPFFCNWSGN-NRFANRHFSA-N 640.371 4.696 0 40 KJAB COc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 223112978 GBXYEDSBLBSEJD-DEOSSOPVSA-N 565.736 4.573 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 223142658 CMUCLKATAIGLQM-MHZLTWQESA-N 535.710 4.912 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 223526909 AQEZKIRZTPWVBZ-SKCUWOTOSA-N 603.160 4.647 0 40 KJAB COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1 223535710 ZDCXNLBSIXPYPB-DHUJRADRSA-N 655.773 4.884 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2C)c2cccc(C(F)(F)F)c2)cc1 223581230 SVYLBPGWZGCBKC-UHFFFAOYSA-N 506.546 4.713 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 223593318 ZGUKJCASTGBREP-RUZDIDTESA-N 515.720 4.573 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 223608874 FEPFJCDJHIKLPP-AREMUKBSSA-N 592.545 4.544 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 223794148 WGVYAMNUHMTLMG-OAQYLSRUSA-N 560.091 4.845 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223803217 ZTAGGKDWMJQVDW-YICISRLPSA-N 594.550 4.645 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 223913690 BQNJGVCZBKGNKW-SFHVURJKSA-N 540.513 4.544 0 40 KJAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 224062730 UHKWSZBUNHWIQF-QHCPKHFHSA-N 556.128 4.748 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224240555 RZZFDINMUBSLPA-MHZLTWQESA-N 661.606 4.920 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 224366110 ZIFUVMTXIMKHMJ-NDEPHWFRSA-N 589.680 4.816 0 40 KJAB COc1cccc(OCCNC(=O)C2=C(c3ccccc3)c3ccccc3N(Cc3ccccc3)S2(=O)=O)c1 224589466 CWNUPGJTBSHKRY-UHFFFAOYSA-N 540.641 5.000 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 224626721 ZDYNNLIRRJHNIP-SANMLTNESA-N 578.175 4.804 0 40 KJAB Cc1cccc(OCCNC(=O)c2ccc(CN(c3ccc(Br)cc3)S(C)(=O)=O)cc2)c1 224680612 UKWUFXZKTSTIEB-UHFFFAOYSA-N 517.445 4.533 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224684575 ZZNHPVGOVJBQCD-OAQYLSRUSA-N 562.947 4.992 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 224726080 QNDLEMFCLXLYNY-QHCPKHFHSA-N 569.699 4.672 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224833894 SSBOPMKAXPZYPS-QFIPXVFZSA-N 627.710 4.798 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 224856228 PFBVMOAJBIJKKZ-QHCPKHFHSA-N 556.556 4.956 0 40 KJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1CCCN1CCOCC1 224866016 KHHCEJWUBQHFLR-FTJBHMTQSA-N 526.106 4.758 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 224925962 GKIFJVZUPSMONR-NDEPHWFRSA-N 595.762 4.787 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 224949464 OEHSJPAZMWKTKW-LJAQVGFWSA-N 595.737 4.608 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c1ccccc1 224978792 JWKWXUZLTXGZOO-ZEQRLZLVSA-N 535.710 4.776 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225085002 AHDHPRZXLKUBHJ-HHHXNRCGSA-N 581.735 4.541 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 225162953 PXXVGYYRVQUICY-OAQYLSRUSA-N 522.111 4.528 0 40 KJAB COc1cccc(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 225223693 UBXKFFDUJJLHLM-NRFANRHFSA-N 608.599 4.870 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 225299836 IXONXBCYDQGJTQ-SSEXGKCCSA-N 563.764 4.934 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 225385998 UCXSZVQRLDPHNG-IBGZPJMESA-N 592.943 4.770 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 225394947 DDNFOILFSMFIKG-MHZLTWQESA-N 602.153 4.886 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 225435473 HOEUGSHUVDQMRT-BJKOFHAPSA-N 551.709 4.619 0 40 KJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1NS(C)(=O)=O 225478027 KYWPWGQRCCOZOP-DNQXCXABSA-N 513.689 4.638 0 40 KJAB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N1CCOc2ccccc21 226034357 QTNSRHFWYLDDLU-UHFFFAOYSA-N 535.847 4.719 0 40 KJAB CCOc1ccc([C@@H]2[C@H](C(=O)OCc3ccccc3)C(=O)C[C@@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1 253571794 PKGQHCDCUTXKAE-QNCJLPSESA-N 516.590 4.612 0 40 KJAB Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CCCN(Cc3cccn3C(C)C)C2)ccc1Cl 257284578 PDFXHCMHYQPMOT-MUUNZHRXSA-N 501.115 4.856 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC)S(=O)(=O)c1ccc(C)cc1 260759141 NUYJLSSRTMHMOC-OAQYLSRUSA-N 542.101 4.569 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)c1 260787150 MBDCJDSSUVLHII-HSZRJFAPSA-N 551.684 4.806 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 260997356 DPSDZHXAKCJPLM-CUNXSJBXSA-N 556.128 4.515 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1 261002332 RVMRPEOCXZUMEQ-XMMPIXPASA-N 565.736 4.921 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccccc2)[C@H](CC)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 261009240 TWRQLEKCUZRQID-ATIYNZHBSA-N 515.720 4.517 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 261112029 YAOCTRDAWBVXEE-UHSQPCAPSA-N 563.764 4.933 0 40 KJAB CCc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N(CC)CC)S(=O)(=O)c1ccc(C)cc1 408576482 WAKAQPGLTKAKDG-UHFFFAOYSA-N 507.656 4.873 0 40 KJAB COc1cc(NC(=O)CCc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)c(OC)cc1Cl 408598170 XOPNQTNAGWLCRO-KRWDZBQOSA-N 503.020 4.968 0 40 KJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)ccc2C)c1 408615448 AFKOHTQTEIQDMH-UHFFFAOYSA-N 514.607 4.682 0 40 KJAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1N1C(=O)[C@@H]2CC[C@@H](C)C[C@H]2C1=O 408647177 WPIBHIAHZXWQHT-PVFUSPOPSA-N 539.426 4.642 0 40 KJAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 408678195 GZIYXRQDRSAUJM-UHFFFAOYSA-N 580.103 4.769 0 40 KJAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 408680188 PFQJAACPDAWPRV-UHFFFAOYSA-N 536.075 4.634 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)cc4)CC3)cc2)cc1 408680222 PYRZWBVTHNRSBO-UHFFFAOYSA-N 562.113 4.630 0 40 KJAB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408683364 MRCCEIZWXVOZMY-RNNHKEILSA-N 549.410 4.756 0 40 KJAB CC(C)C[C@H](C(=O)OCC(=O)Nc1ccc(F)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408687573 PBSIBEIZRBEQNC-UZNKMTRFSA-N 540.591 4.614 0 40 KJAB CCCC[C@H](C(=O)OCC(=O)Nc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408688613 RBCSPNVCKAZZQV-UZNKMTRFSA-N 522.601 4.619 0 40 KJAB CSc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1C(=O)N1CCCCCC1 408714576 GFKFGICVXYHLHH-UHFFFAOYSA-N 530.453 4.830 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 408802268 XXOQPTQVFIFDRV-BIWBSIMWSA-N 546.595 4.656 0 40 KJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(C)(=O)=O)cc2)c1 408925519 ULZAAALGVQRMCX-UHFFFAOYSA-N 542.466 4.507 0 40 KJAB 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CC1(C)CCCN(CC(=O)N(CCO)Cc2ccccc2)Cc2cccnc2Oc2ccccc2OC1 643575515 JUHYLSGGNWWKQG-UHFFFAOYSA-N 503.643 4.896 0 40 KJAB CCOc1ccc(CC(=O)N2CCCN(Cc3ccccn3)CCCN(C(C)=O)c3ccccc3C2)cc1 643581269 IGFLCHMXTXDFPY-UHFFFAOYSA-N 514.670 4.701 0 40 KJAB O=C(NCc1ccccc1)[C@H](c1ccco1)N(C(=O)Cn1nnc(-c2cccs2)n1)c1cccc2c1CCCC2 887585 ZWNKCZBHJWOEFV-NDEPHWFRSA-N 552.660 4.964 0 40 KJAB COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCCCC4)CC(=O)N32)cc1OC 2104912 IVHFPTXWBVYFNS-OUTSHDOLSA-N 501.627 4.983 0 40 KJAB biogenic Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)c4ccccc4)c3)cc2)c1C 3215755 MWFCSOSJLXUFFQ-UHFFFAOYSA-N 575.068 4.823 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(I)cc3)cs2)cc1 3260351 TWVXXLDGPFZKAG-UHFFFAOYSA-N 541.436 4.698 0 40 KJAB COc1ccc(-c2c(C)oc3cc(OCC(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)ccc3c2=O)cc1 3306065 TYXRJSYAJNENOM-UHFFFAOYSA-N 525.561 4.592 0 40 KJAB COC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](NC(=O)[C@@H](CSCNC(C)=O)NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)[C@H](C)OC(C)(C)C 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COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C 205873624 HTFVSNUFICBTAG-YDZHTSKRSA-N 602.507 4.751 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 222549009 AMWJLMSTCMSNEQ-DEOSSOPVSA-N 536.138 4.835 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 222637217 YZNHYUCLLLFSAD-QHCPKHFHSA-N 551.709 4.531 0 40 KJAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)NCCCNc1ccnc2cc(Cl)ccc12 222826682 QZAXLPGWGFVIHI-UHFFFAOYSA-N 551.496 4.713 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 222959850 GQMFAOCZGIVYRX-DEOSSOPVSA-N 581.735 4.541 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 223135920 JVRAMRSBGGUPEL-NRFANRHFSA-N 522.111 4.528 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223162435 MMRVDNOCUIPICT-HSZRJFAPSA-N 552.137 4.617 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](CC)C(=O)NC)S(=O)(=O)c2ccc(F)cc2)cc1 223176638 FVLFKNUSZSNEAI-SANMLTNESA-N 576.090 4.627 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 223187596 WMMIMXIBJNRETP-AREMUKBSSA-N 565.736 4.921 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 223203318 GSVRSSBQWAPEEN-DEOSSOPVSA-N 546.064 4.536 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 223266501 ROFAEDVFNPVCFL-DEOSSOPVSA-N 606.528 4.513 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1cc(OC)cc(OC)c1 223295233 WGEDZUDDXZFNJV-DWACAAAGSA-N 504.627 4.637 0 40 KJAB COc1ccc(CN(C(=O)COc2ccccc2Cl)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)cc1 223527727 FWHWVSGJHJIZGB-UFHPHHKVSA-N 523.029 4.793 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O)[C@@H](C)C(=O)NC1CCCC1 223787433 KSNMSMDMIVHUQO-QFIPXVFZSA-N 548.149 4.979 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 223862157 LLINNGIRKKCGTO-IBGZPJMESA-N 542.529 4.710 0 40 KJAB 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CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 224680759 KIWAROOIYIRFST-JOCHJYFZSA-N 542.529 4.647 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1OC 224913397 DLAKLNDEVQAYJC-SFHVURJKSA-N 600.565 4.643 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccc(C)cc2)cc1 224983454 JMRFCZSBYKXXKS-DQEYMECFSA-N 565.736 4.921 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 225165065 BZAUGHIKDBGQDM-LEWJYISDSA-N 522.111 4.527 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 225297394 INPIAGVOZVKUQG-PMERELPUSA-N 563.764 4.934 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 225526489 PASYABSZCPNAOZ-HKBQPEDESA-N 585.726 4.585 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 225701793 OAWYEKKOMFIJTH-SANMLTNESA-N 542.101 4.867 0 40 KJAB CCC1(CC)C[C@@H](NC(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc2OC)c2ccccc2O1 225825271 VJQNNOKCPAQNNK-HSZRJFAPSA-N 500.661 4.611 0 40 KJAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@@H](NC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 229921150 DRALDEYSNGRUOW-RCPPJIFFSA-N 586.800 4.546 0 40 KJAB CC1(C)CC2(CCN(CC(=O)Nc3ncc(Cc4ccc(F)cc4)s3)CC2)CN1S(=O)(=O)Cc1ccccc1 257199976 ABMSJHONAZKFNE-UHFFFAOYSA-N 570.756 4.908 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1Cl 260733680 KORXSHSZCQDYJG-OAQYLSRUSA-N 560.091 4.925 0 40 KJAB CN(C)S(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccc(F)cc1 260927464 OBRGGNNSJPPINC-SSEXGKCCSA-N 612.743 4.667 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 260927974 HIDRAVOLJFMFBS-CUNXSJBXSA-N 599.725 4.760 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1C 260984515 BMQFXIMXYFAWGU-OAQYLSRUSA-N 580.589 4.944 0 40 KJAB 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O=C(CCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccccc1F 408648718 CIZPGHSSESHRGZ-SIQOOTDXSA-N 524.375 4.852 0 40 KJAB Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)ccc1Br 408689374 YSLNLLCIOUTQCU-DNTUSOGLSA-N 573.443 4.520 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 408695980 XQYLTXKBOFSVPT-UHFFFAOYSA-N 582.531 4.975 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1OC 408930544 YJZJKNRECZZJKW-RGVLZGJSSA-N 577.453 4.691 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1 409024444 YJTCWAXVFSXNBV-YDZHTSKRSA-N 608.445 4.965 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409030427 DICDPULXPZZIRN-VCLSCOGJSA-N 686.783 4.727 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC 409048019 VSTYYZOZROGZFN-DLJDGCESSA-N 764.635 4.539 0 40 KJAB Cc1cc(I)ccc1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C 409068112 KFFXIMLMCVDJES-UHFFFAOYSA-N 528.803 4.691 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(Br)c(Sc4nc(C)cc(O)n4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 409097658 NRNBTWSYLXHVOZ-ZGWHGSPESA-N 719.595 4.975 0 40 KJAB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)NCc4ccco4)c4c(CC)cccc34)N(CC(=O)OC)C2=S)cc1 409126557 CNJDKWLGCPUQPM-YUMHPJSZSA-N 600.697 4.659 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2cn(CC(=O)N3CCCC3)c3ccccc23)C1=O)c1ccc(Cl)cc1 409128266 HXMHAYQZGVIMQQ-QRVIBDJDSA-N 507.999 4.836 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(F)F)c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409161405 UPJBVARMDMXMAL-ZPVURNRZSA-N 607.679 4.875 0 40 KJAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(I)cc3C(C)C)n2C)cc1 409166123 CJXAZKKWZHQVNL-UHFFFAOYSA-N 536.439 4.873 0 40 KJAB COc1c(I)cc(I)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 409167835 KAOGJMUCWXBCEL-LZYBPNLTSA-N 634.233 4.888 0 40 KJAB CC(=O)Nc1ccc(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1 409198516 HFGCQFCCXZMGGQ-UHFFFAOYSA-N 550.862 4.891 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(I)c1OCC(=O)OC 409231230 IYZAGFUEILHSII-VCHYOVAHSA-N 630.844 4.570 0 40 KJAB CCOc1cc(C(=S)N2CCN(CC)CC2)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 409271214 KPEYMTRGSOILPS-UHFFFAOYSA-N 534.520 4.795 0 40 KJAB CC[C@@H](C)Oc1c(OC)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c1Cl 409399708 KVRUFWSTZBNODP-ZEVOCZHWSA-N 541.782 4.761 0 40 KJAB CC1(C)CCc2c(cc(OCC(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@H]43)c3c(-c4ccccc4)cc(=O)oc23)O1 524729810 JZMHBIVMBVRRHC-JLRUASKGSA-N 556.659 4.802 0 40 KJAB biogenic COc1cc(CN2CCC(COc3cccc(Cl)c3)(OC)CC2)ccc1OCCn1ccnc1C 585271120 JPYNTUUXJBFUBU-UHFFFAOYSA-N 500.039 4.993 0 40 KJAB O=S(=O)(c1ccc(Oc2cccnc2)cc1)N1CCC(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 618256173 FLMWJVHTMNJIDI-UHFFFAOYSA-N 582.048 4.916 0 40 KJAB CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N[C@H](C)COc2c(F)cccc2Oc2ccc(C)cc2)CC(=O)N[C@H](Cc2ccccc2)C1=O 643550937 KTQXUOXWDIQNES-UKOABYEESA-N 710.803 4.967 0 40 KJAB CN1CCN(C(=O)Cc2ccc(Cl)cc2)CCOc2ccc(-c3cncnc3)cc2Cc2cccc(c2)C1=O 643581983 HBWUTDJVUHRABY-UHFFFAOYSA-N 541.051 4.924 0 40 KJAB CC(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)cccc12 667978 OPUKMDKYXBGUEX-SANMLTNESA-N 501.608 4.636 0 40 KJAB COc1ccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(c4ccc(OC)cc4)C5=O)cc3C2=O)cc1 808593 IBYHHWBUJXJYAZ-UHFFFAOYSA-N 504.498 4.972 0 40 KJAB CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)o2)c1 901314 AJVQDNPLRFFPSA-MUUNZHRXSA-N 513.598 4.759 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 905925 VNHMFKCMEQVGNM-SANMLTNESA-N 505.619 4.851 0 40 KJAB COc1cc2cc(CN(Cc3ccccc3)S(=O)(=O)c3ccccc3Br)c(=O)[nH]c2cc1OC 918699 VODRSKCSHQQDKJ-UHFFFAOYSA-N 543.439 4.699 0 40 KJAB Cc1ccc(N(C(=O)[C@@H]2COc3ccccc3O2)[C@H](C(=O)NC2CCCCC2)c2cn(C)nc2C)cc1C 931348 JKJQTCOVPMYURB-NSOVKSMOSA-N 516.642 4.709 0 40 KJAB Cc1c(C(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C 984802 VHEQJSJUMRIGBW-UHFFFAOYSA-N 511.607 4.619 0 40 KJAB NC(=O)c1c(NC(=O)CN2C(=O)S/C(=C\c3c(Cl)cccc3Cl)C2=O)sc2c1CCCC2 1746975 PPKGXNXDOHKMIZ-NVNXTCNLSA-N 510.424 4.708 0 40 KJAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccccc4C)nn3c2=O)cc1F 2366165 XYOROBVEGJTSTD-IWIPYMOSSA-N 509.566 4.675 0 40 KJAB COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 3297393 AJEAOXHBHACKMR-HUUCEWRRSA-N 529.663 4.919 0 40 KJAB C[C@@]12CC[C@@H](OC(=O)Nc3cccc(C(F)(F)F)c3)[C@@](C)(CO)[C@@H]1CC[C@@H](O)[C@H]2CC(=O)N1CCCC1 4236725 OUZSWAONTHOIQY-RUNZLFIYSA-N 526.596 4.821 0 40 KJAB biogenic,in-vitro CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 6878483 QXYNPCKZPAAYHS-UHFFFAOYSA-N 554.723 4.604 0 40 KJAB CN(C)S(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2Br)cc1)c1ccccc1F 9694825 MHVWJMMFDHQUSW-UHFFFAOYSA-N 506.397 4.654 0 40 KJAB CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2-c2cc(C)cc(C)c2)S[C@H](C)C3)s1 11726668 IWAGCVJNVUUQDX-CYBMUJFWSA-N 505.716 4.580 0 40 KJAB CCc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C(C)=O)cc1 13028986 HEYAAODYIDKSQI-MUUNZHRXSA-N 511.626 4.886 0 40 KJAB Cc1cc(=O)c(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nn1-c1ccc(Cl)cc1 13095883 JILLCTFORMMOQW-UHFFFAOYSA-N 513.303 4.577 0 40 KJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2ccc(OC)cc2OC)c1 13140865 MMSYBIXWCCWKDL-UHFFFAOYSA-N 503.020 4.845 0 40 KJAB O=C(N[C@H](Cc1ccccc1)C(=O)O)/C(=C\C=C\c1ccccc1)NC(=O)c1cccc(Br)c1 17143536 GOMWXMHYXCEXEE-OJUVVUHZSA-N 519.395 4.588 0 40 KJAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1)c1ccccc1 19934463 PAXOLCMRNBPPJO-OAQYLSRUSA-N 505.640 4.746 0 40 KJAB CCN(Cc1ccccc1)[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)c1nnnn1C1CCCCC1 20080605 OTULQNBAAILLAA-SANMLTNESA-N 502.619 4.649 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(Cl)ccc2OC)cc1C 22268514 XACBPSYTKRPSQV-QFIPXVFZSA-N 503.020 4.584 0 40 KJAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 22431983 LWDKLFGWSPHNQR-SFHVURJKSA-N 503.020 4.738 0 40 KJAB CC(C)COc1ccc(-c2cc(NC(=O)COc3ccc(Cl)cc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 41156098 DXCRFFFXJVDWIX-FQEVSTJZSA-N 518.035 4.615 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)c1cccc(Br)c1 59834537 WSTBERFDODBXIH-IIBYNOLFSA-N 551.890 4.878 0 40 KJAB CCOC(=O)C1=C(C)C2(Br)[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3C1(C)[C@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]12 95100752 BKIDKXUSUOCGOW-FDEZPYKXSA-N 633.539 4.878 0 40 KJAB CCOC(=O)COc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1ccc(OC)c(Br)c1)C(C(=O)OCC)=C(C)N=2 97958809 KLAIFRSDFBVLLK-CWJUKMOQSA-N 665.562 4.665 0 40 KJAB O=C1[C@H]2N=NN(CC(=O)N3N=C(c4ccc(Br)cc4)C[C@H]3c3ccccc3)[C@@H]2C(=O)N1c1c(F)c(F)cc(F)c1F 98045985 LOFWZMFPNNZYQC-QXWFJRNPSA-N 629.368 4.677 0 40 KJAB O=C1OC(c2ccc(NC(=O)c3cncc(Br)c3)cc2)=N/C1=C\c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 100057826 CQWBDOREIPNEKO-JJFYIABZSA-N 583.354 4.585 0 40 KJAB O=C(NC[C@H]1CCC[C@H](CNC(=O)c2ccccc2I)C1)c1ccccc1I 100067644 OPCKWVSMSGHRIH-HOTGVXAUSA-N 602.254 4.862 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4cccs4)cc3)cc2)c1 100096432 DUVXWRBUMJOQGS-UHFFFAOYSA-N 587.701 4.644 0 40 KJAB COc1ccc(CCn2c(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cs/c2=N\c2ccccc2)cc1OC 101157634 MIWABLSZKQTGKT-FLWNBWAVSA-N 565.717 4.730 0 40 KJAB COCc1nn2c3c(nnc2c1-c1ccc(Br)cc1)C(=O)C[C@@H](c1ccc(OC)cc1OC)C3 101992758 AJDDGBMFYJWTIZ-HNNXBMFYSA-N 523.387 4.630 0 40 KJAB COc1cccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C[C@H]5c5ccccc5)[C@H]4C3=O)c2)c1 102097256 LHDFXNIYIMTTCH-KAKVGEDNSA-N 509.558 4.664 0 40 KJAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@H](N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 104150517 KUHHFYZRWGDWMX-HFJAXUQVSA-N 527.707 4.671 0 40 KJAB biogenic O=c1/c(=C\c2cc3c(cc2Br)OCO3)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 104659638 MYKHRUHXFSLMTH-DJTCXORXSA-N 543.442 4.810 0 40 KJAB CC1(C)[C@H](CC(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)C[C@H]1C(=O)NC(=S)NC12CC3CC(CC(C3)C1)C2 104799646 OPAMCRVRTGSHGC-OFJFKBRKSA-N 570.869 4.814 0 40 KJAB 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CC(C)Oc1cccc(CCCNS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c1 225760269 XOKYKXIWIGKIHD-UHFFFAOYSA-N 529.471 4.796 0 40 KJAB CCC[C@@H](NC(=O)/C(C#N)=C/c1nc(Cl)ccc1Cl)c1ccc(OCCN2CCOCC2)cc1 231391508 IIKVQQNZHGBYGQ-BENYOCTQSA-N 503.430 4.664 0 40 KJAB CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)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 245204436 BBNQHOMJRFAQBN-QQCWVDIESA-N 725.788 4.567 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c2ccccc2)cc1OC 260747321 ACBRRCGHDVHQQF-XMMPIXPASA-N 593.746 4.765 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)c2ccccc2)cc1 260751063 PLLMEWQYSVQYON-XMMPIXPASA-N 551.709 4.531 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC)S(=O)(=O)c1ccc(C)cc1 260769237 XEPLLTDFTVSQBK-OAQYLSRUSA-N 602.551 4.515 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 260864267 ABKGSPBQXHLPAP-AMGIVPHBSA-N 539.673 4.743 0 40 KJAB 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1 408995449 ABUDVWVOLUUXMA-VLOXRPPESA-N 636.362 4.731 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)C)c(=O)n2[C@H]1c1ccc(Cl)cc1 409116992 MTLAUQHPVKETJG-ZMIGGIFCSA-N 524.086 4.544 0 40 KJAB CCOc1cc(/C=C2\N=C(c3ccc(OC(C)=O)c(OC)c3)OC2=O)ccc1OC(=O)c1cccc(C)c1 409190524 YUAAHBNIHAFFHX-HMAPJEAMSA-N 515.518 4.891 0 40 KJAB O=C(Nc1ccccc1Sc1ccccc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 409260743 VQMBZCSJDZAQQD-HHHXNRCGSA-N 593.752 4.540 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 409321432 GHZWDTDHLKPQJL-UHFFFAOYSA-N 550.102 4.513 0 40 KJAB COc1ccc(CN2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)cc1OCCn1cnnc1 585271729 NKIBYLNWRNJSBY-UHFFFAOYSA-N 521.445 4.733 0 40 KJAB CO[C@@H]1CN(C(C)=O)C[C@H](C(C)C)[C@@H](c2cccc(F)c2)N(C(=O)/C=C/c2ccc(F)cc2Cl)CCCCOC[C@@H](O)[C@H]1O 643587076 SIGUQMLZOURGTB-FUOKRRBESA-N 637.164 4.869 0 40 KJAB CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(Cc1ccccc1C)CC2=O 958317904 YRYXWBLXRCCOCJ-BDYUSTAISA-N 503.687 4.669 0 40 KJAB Cc1noc(C)c1CN1CC[C@H]2CC(=O)N(CC3CCC(F)(F)CC3)C[C@H](O)C(C)(C)COCCC[C@H]2C1 1534613793 YJUDECHJAZPQKN-GNKBHMEESA-N 539.708 4.971 0 40 KJAB CO/C([O])=C1/[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC 1560406113 UZCKZENCYQJNPI-HUFCMERQSA-N 577.654 4.662 0 40 KJAB O=C(C[C@]1(COc2ccccc2)CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1)N1CCOCC1 2037905488 PGBXPYGIIGQCBB-GDLZYMKVSA-N 508.634 4.574 0 40 KJAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C(=O)OCC(=O)c1ccccc1)C2=O)c1ccccc1 797320 NNSOEKCTWAVFFE-UHFFFAOYSA-N 547.519 4.567 0 40 KJAB Cc1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2)C(Br)(Br)Br)cc1 822174 FFXNZFFWYDKYHZ-OAHLLOKOSA-N 550.114 4.876 0 40 KJAB COC(=O)c1ccc(S(=O)(=O)N(CCc2ccccc2C)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 914427 YFULLVFGZOZJDM-UHFFFAOYSA-N 518.635 4.674 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccccc1 2058568 ULURVBLECAEXEY-FBRKSOCZSA-N 567.070 4.914 0 40 KJAB COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CC4CCN(Cc5ccccc5)CC4)CC(=O)N32)cc1 2148437 ABTJLQWLGXFFDJ-DITALETJSA-N 548.687 4.774 0 40 KJAB biogenic CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)sc(Br)c1-c1ccccc1 2617231 NPTTVRZBOANSBL-UHFFFAOYSA-N 534.432 4.548 0 40 KJAB CCOC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(F)cc2)c(=O)n3Cc2cc(C)ccc2C)C1 2688653 VNJFFAGIIIOQJD-UHFFFAOYSA-N 507.587 4.533 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 6227672 GZQVBTXVZMUGCA-KMBIYUNPSA-N 565.047 4.729 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 9063052 FRNOWGDVISTVIA-UHFFFAOYSA-N 507.656 4.964 0 40 KJAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3F)nc3c2Cc2c(CO)cnc(C)c2O3)cc1 9116311 PZEFNTDUXOISFB-UHFFFAOYSA-N 518.570 4.914 0 40 KJAB CCOC(=O)[C@H](C)Sc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1Cl 9390885 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LTZMFDIRHARQFQ-UHFFFAOYSA-N 516.158 4.835 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)c1 100080732 AXPJXECGYFFEKJ-UHFFFAOYSA-N 531.428 4.768 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)cc1OC 100276855 KFEQUTZORYNYDD-NDEPHWFRSA-N 592.697 4.777 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O 100375215 VLUSVDPRNJANAM-MHZLTWQESA-N 552.635 4.762 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(Cl)cc1 100398562 LRHHAZPWQHPXIW-FJAKRLOMSA-N 503.769 4.694 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(C(=O)CCC(=O)Nc1cc(C)on1)c1ccccc1 100415787 SKKSUNXIEBOUPA-AREMUKBSSA-N 536.629 4.798 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1 100835293 AQJVLBHXEAPHRD-NDBXHCKUSA-N 529.390 4.856 0 40 KJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@H]3C2=O)cc1 100919349 SLFHHAKBDIOKSZ-VSKRKVRLSA-N 517.994 4.912 0 40 KJAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1S(=O)(=O)N1CCCCC1 102994101 SLANCJHFOMVSMK-UHFFFAOYSA-N 564.085 4.576 0 40 KJAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)C2=O)cc1OC 103025482 AFMJHQDUMZWBDA-AYPRBGQRSA-N 525.410 4.631 0 40 KJAB COc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4ccc(Br)cc4)cc3)CC2)cc1 105351588 BQYQMEJXLUEFGU-UHFFFAOYSA-N 553.482 4.547 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(Br)cc(I)c3O)c2=O)=N1 164178550 VEIMXGZWJOUHEX-GSOQPGDSSA-N 713.388 4.668 0 40 KJAB CCOc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 216430204 SAHDRYROWKTUOK-UHFFFAOYSA-N 583.508 4.854 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 222394548 LCOBQHZHEPIKIE-XMMPIXPASA-N 552.137 4.535 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 222610646 FOPLFDUIMOGRJQ-NDEPHWFRSA-N 553.700 4.970 0 40 KJAB 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0 40 KJAB Cc1nc(-c2cccc(NC(=O)CN3CC[C@@H]4NC(=O)[C@@H](Cc5ccccc5)NC(=O)C5(CC=CC[C@@H]4C3)CCOCC5)c2)cs1 1615125251 GCQMPGMSBMEBEP-WEAWZCMZSA-N 641.838 4.738 0 40 KJAB CCOc1cccc2c1O[C@@](C)(CCC(=O)O)[C@@H]1C[C@@H]3CN(C(=O)c4ccccc4OC)CC[C@H]3O[C@@H]21 2037872812 XADKZLZMZDIWRZ-FTTFYJLGSA-N 509.599 4.718 0 40 KJAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(OCc2ccccc2Cl)cc1Br 684842 XMESOHLDJKUTHI-FQEVSTJZSA-N 509.784 4.881 0 40 KJAB CCCc1cc(=O)oc2cc(OC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)ccc12 2092673 PLLUCEWMYNXAIN-VWLOTQADSA-N 505.592 4.549 0 40 KJAB biogenic CCCNC(=O)NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cc(Cl)ccc1OC)CC[C@@H](C)C3 3328611 WREMZCQJBWJCTP-CYBMUJFWSA-N 535.091 4.562 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3cnc4ccccc4c3)[C@H](CC(C)C)C(=O)NC(C)(C)C)n2)cc1 6279888 VXLIVYNAVMJQHD-RUZDIDTESA-N 513.646 4.559 0 40 KJAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N(CCc3ccccc3)Cc3ccccc3)cc2c1 6409237 ANMYSNUGOPZHOD-POURPWNDSA-N 534.664 4.836 0 40 KJAB COc1ccc(OC)c([C@@H]2C3=C(N=c4s/c(=C/c5cc6c(cc5Br)OCO6)c(=O)n42)c2ccccc2CC3)c1 8437206 WZZHJTSHRCOSAE-JYNXQWRTSA-N 603.494 4.827 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc(F)c4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC 8452277 FXKLZWSKIVEINY-PQRKSKNISA-N 602.684 4.924 0 40 KJAB COc1ccc(CN(C(=O)CN2C(=O)C(=O)c3ccccc32)[C@@H](C(=O)Nc2ccc(OC)cc2)[C@H]2CC=CCC2)cc1 8712772 KHZOYVBHMJIPOT-YUDQIZAISA-N 567.642 4.626 0 40 KJAB COc1ccccc1NC(=O)[C@@H](CCSC)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 8861272 QDBRCJQGWLXIDH-UNXDTXJRSA-N 512.631 4.648 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(Cc1ccccc1)C(=O)CCC(=O)Nc1cc(C)on1 12491224 XSPJCLBYQMEXKI-HHHXNRCGSA-N 520.630 4.785 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccccc1C)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21 13024340 YKBBUJPVFIXJQY-NDEPHWFRSA-N 513.642 4.823 0 40 KJAB COc1cccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2cc(C)ccc2C)c1OC 13029348 KGLPKQLUXGLFJL-HHHXNRCGSA-N 529.641 4.755 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)CCC2 13032308 CFUJWQGGFFAGMY-MUUNZHRXSA-N 511.626 4.705 0 40 KJAB CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 13499388 KVAZGFQHNZNMGO-DEOSSOPVSA-N 516.646 4.975 0 40 KJAB Cc1occc1-c1nnc(SCc2cc(=O)n3cc(Br)ccc3n2)n1Cc1ccccc1 15623707 QVUZWWMIJHNJTF-UHFFFAOYSA-N 508.401 4.958 0 40 KJAB CCCCN1C(=O)c2ccc(C(=O)OCC(=O)N3N=C(c4ccc(C)cc4)C[C@H]3c3ccco3)cc2C1=O 16044107 VPUUWDPRGBFHLZ-DEOSSOPVSA-N 513.550 4.519 0 40 KJAB COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc1 17949474 UVJQZPSMGXPSJC-AFESJLNVSA-N 577.428 4.673 0 40 KJAB CCCNC(=O)c1ccc2c(=O)n(-c3ccc(F)cc3)c(SCC(=O)c3ccc(OC)cc3)nc2c1 32944638 KHAIAKGYWFQIHP-UHFFFAOYSA-N 505.571 4.648 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\C3=Cc4ccccc4O[C@@H]3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 38204336 WOOMFTLXPWETSK-XRQIYHHASA-N 514.647 4.738 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(Cl)cc1 59883543 SCHFWUPGUUUDKC-UHFFFAOYSA-N 562.884 4.852 0 40 KJAB CCOC(=O)c1cc(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)ccc1Cl 60060463 YRPRTRLMNNVAIQ-UHFFFAOYSA-N 598.846 4.955 0 40 KJAB CCOC(=O)N1CCN(C(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@@]32C)CC1 72326275 GFGBLIVVHHYJQM-YIHQWROLSA-N 532.766 4.694 0 40 KJAB biogenic CC1(C)CCc2c(cc(OCC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c3c4c(c(=O)oc23)CCCC4)O1 79192222 GZTMGTFVVIZYLG-WMZHIEFXSA-N 508.659 4.535 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccs3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 97962720 NZACNVBNPOVUIY-FQWZWQHVSA-N 610.717 4.638 0 40 KJAB COC(=O)COc1ccc([C@@H](CC(=O)OC)c2c(OC)ccc3c(=O)c(-c4ccc(OC)cc4)coc23)cc1 97972089 WOKJYFLJMOOLRE-HSZRJFAPSA-N 532.545 4.724 0 40 KJAB biogenic Nn1c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1-c1cc(-c2ccccc2)n[nH]1 97990108 DZBCNOBLUBETST-UHFFFAOYSA-N 527.454 4.817 0 40 KJAB COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)c1OC 100363872 PPUULNOWOQDSNA-NDEPHWFRSA-N 545.615 4.811 0 40 KJAB Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@@H](Cc2ccccc2)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]21 101303726 IWTJTDITYRNQIE-RJESQKRESA-N 524.379 4.609 0 40 KJAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2)n2c(s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c2=O)=N1 101611647 PCADBAPAJDDBOK-RAWKODRKSA-N 559.695 4.985 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C/c4c(C)nn(-c5ccccc5)c4C)c(=O)n32)cc1 101612165 YZOJQTKWNOXPBX-OGMUYLFESA-N 589.721 4.993 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[nH]c(=O)c32)cc1 102356817 JPFBDMWQUVRJMG-GOSISDBHSA-N 543.502 4.554 0 40 KJAB CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N(C)Cc3ccccc3)ccc1-2 102415310 ZEDCAGHLXRYICB-UHFFFAOYSA-N 546.670 4.539 0 40 KJAB CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccccc3OC)C(=O)N12)C(=O)NCc1ccc(C)cc1 102745600 XCKRCBFKLQWHDO-IXCJQBJRSA-N 597.741 4.887 0 40 KJAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)COC(=O)COc1ccc(C2SCCCS2)cc1 102904196 JNWWAHZGMRDCLC-UHFFFAOYSA-N 543.494 4.881 0 40 KJAB COc1ccccc1NS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2F)ccc1N1CCCC1 102972490 AUNRHQDUIINAIW-UHFFFAOYSA-N 540.038 4.690 0 40 KJAB S=c1n(CN2CCN(c3ncccn3)CC2)nc(CSc2nc3ccccc3s2)n1-c1ccccc1 103277428 SXLCNWYFMIRPKT-UHFFFAOYSA-N 532.724 4.875 0 40 KJAB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=N[C@H]1c1cc(OC)c(OC)c(OC)c1 103828960 SZDRUZNSWHGKIE-DEOSSOPVSA-N 527.643 4.539 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccc(Cl)cc4)cc3)CC2)cc1 113634587 SBWFTJMJIHUZLK-MUUNZHRXSA-N 570.136 4.569 0 40 KJAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)CC1 150367799 IVOLWIREBKGSHN-UHFFFAOYSA-N 674.808 4.640 0 40 KJAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 216010162 GYKOWSSXITXSEW-SFHVURJKSA-N 547.471 4.847 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 222419370 AZXNZPDUBZOWOD-HHHXNRCGSA-N 539.673 4.661 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 223101372 LSZDSZOLDFJXNU-HSZRJFAPSA-N 539.673 4.663 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 223173969 YGHILEHJWLSEPK-XMMPIXPASA-N 515.720 4.572 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 223305739 FGERQXLQAASFOA-VAVYLYDRSA-N 579.763 4.796 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 223458810 OJIVHKHBVFUPQR-SKCUWOTOSA-N 571.690 4.594 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC)S(C)(=O)=O 223727897 GAKQYAUTEMUGST-FIPFOOKPSA-N 583.726 4.545 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 223784176 GDQGQIOPBJUYKR-RBISFHTESA-N 660.631 4.787 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 223980918 UNJOXPNYDMFCIK-SKCUWOTOSA-N 586.154 4.669 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 224293083 TUJPQVNYXTZDPT-AREMUKBSSA-N 576.090 4.627 0 40 KJAB COc1cccc(CN(C(=O)CCCN2C(=O)c3ccccc3C2=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224635330 FCLUVEQQSVQPPQ-MUUNZHRXSA-N 555.675 4.626 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 224744445 FGOWONUCUKEWAO-VWLOTQADSA-N 535.710 4.751 0 40 KJAB Cc1ccc(CN(C(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)cc1 224753800 MYYLWLGNVMRGHU-DEOSSOPVSA-N 527.731 4.716 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccccc2F)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 224826341 YRMCDOGAKGNFKX-LJAQVGFWSA-N 565.711 4.599 0 40 KJAB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccccc3CN3CCCCC3)c2)CC1 224827071 SCGVRUOSASMELB-UHFFFAOYSA-N 504.096 4.677 0 40 KJAB O=C(NCc1ccccc1CN1CCCCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 224829443 KBZJBARICGOIOU-UHFFFAOYSA-N 538.541 4.838 0 40 KJAB Cc1cc(I)ccc1N(Cc1ccc(C(=O)NCCOCc2ccccc2)cc1)S(C)(=O)=O 224837427 VNNMISUUSSWUJK-UHFFFAOYSA-N 578.472 4.512 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 224850436 HHXSHVKXQYVOQA-QHCPKHFHSA-N 539.673 4.581 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 224907440 SFRYPFPCANKOQT-LJQANCHMSA-N 542.529 4.792 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 224925704 NZQXUKXXKFKNJP-MRXNPFEDSA-N 548.920 4.665 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 225082894 DTXJBCAQVGIJSZ-MHZLTWQESA-N 527.731 4.580 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 225083735 REJGYXVUORTAKH-RUZDIDTESA-N 602.540 4.693 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 225168178 PHQMLKHETOMJGT-HHHXNRCGSA-N 539.673 4.663 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 225192556 SCIJUQHVYCDHOI-FCHUYYIVSA-N 536.138 4.835 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)N[C@@H](C)CC)S(C)(=O)=O 225203095 KHCPUPCXHDXASL-SFTDATJTSA-N 552.137 4.617 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1Cl 225235976 NLWYQORTMHESSB-LOSJGSFVSA-N 519.030 4.683 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 225317057 KUIVXOMCVJJUFD-HXUWFJFHSA-N 548.920 4.746 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 225384729 DLMXWPUXXRGJFD-DNQXCXABSA-N 551.709 4.531 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 225446481 BSZUGXBOUJAZSD-IBGZPJMESA-N 592.943 4.770 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 225477504 DZGSKPGGDZDHHG-MHZLTWQESA-N 592.108 4.941 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 225609006 DYGGAFIBZSRLSG-RUZDIDTESA-N 606.970 4.563 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 225729740 MBFXZAHSCRDJSA-GDLZYMKVSA-N 565.736 4.839 0 40 KJAB O=C1[C@@H]2[C@@H](N=NN2CC(=O)N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccccc2)C(=O)N1c1ccc(Br)cc1 230026936 DUQMRMWKDYJZPV-CAOCKLPOSA-N 636.304 4.883 0 40 KJAB CN1CCN(C(=O)C[C@H]2CN(C(=O)Cc3ccc4ccccc4c3)CC[C@@H]2Oc2cccc(Br)c2)CC1 257318957 VQBVJYVODKHUOX-LSYYVWMOSA-N 564.524 4.605 0 40 KJAB CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](CC)C(=O)NC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 260705131 JNVNSQNTHBUZPP-GDLZYMKVSA-N 583.726 4.794 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c(C)c1 260789730 MONLQCMZGKFUOM-LJQANCHMSA-N 554.540 4.852 0 40 KJAB COc1ccccc1N(CCCC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 260894811 GVEWNKHAJDHMGJ-OAQYLSRUSA-N 608.599 4.870 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)N(C)C)c1 260910364 XVGSGQODTBGRIL-GDLZYMKVSA-N 599.197 4.734 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 260913269 YUSQFLVQAQFIPH-HSZRJFAPSA-N 569.699 4.670 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1 260932345 POSJDAGWGUEBOP-WJOKGBTCSA-N 608.780 4.836 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](CC)C(=O)N[C@H](C)CC)S(C)(=O)=O 261029032 WVHBRXZCLGGVIK-XMSQKQJNSA-N 572.555 4.880 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 261050276 LVZBLZDWRNJPOF-DFHRPNOPSA-N 586.154 4.669 0 40 KJAB Cc1cc(C)cc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccccc3)cc3cc(Br)ccc32)c1 408576825 NRWLTTNNNXSSTM-UHFFFAOYSA-N 505.372 4.982 0 40 KJAB Cc1cc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCc4ccccc4C)CC3=O)cc2)ccc1Br 408581886 VAOSOZZBXLAPJN-NRFANRHFSA-N 550.453 4.753 0 40 KJAB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccccc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]12 408642197 DSJJOWBTWMPPHW-RMQVNJIYSA-N 557.002 4.997 0 40 KJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 408686716 NQPFQKVJDPPITM-JOCHJYFZSA-N 555.812 4.800 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)c2=O)=N1 408871900 ZEGVVTIJKLXPBN-LAUBZIAYSA-N 616.692 4.642 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C\c3cn(CC(=O)OCC)c4ccccc34)c2=O)=N1 408923595 GOQKHUNRZPLKSC-SFKHYTNKSA-N 666.594 4.867 0 40 KJAB COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408925053 SLZHKZQXTFEOQD-UHFFFAOYSA-N 565.673 4.638 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)c2cccc(Cl)c2)cc1 409028248 KIGUXRNKCWLYCV-UHFFFAOYSA-N 512.031 4.718 0 40 KJAB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Cl)c1OC(C)C 409029769 BFNWERZFGRHSLS-NLZIUFDSSA-N 541.069 4.638 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(Br)c(Sc4nc(C)cc(O)n4)o3)c2=O)=N1 409105256 KGNNYSAEVJJPSP-GLSAMTQTSA-N 701.621 4.906 0 40 KJAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)c(I)c2)C1=O 409106328 RJPZRUVFXRLZFB-VXLYETTFSA-N 555.365 4.997 0 40 KJAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCC(=O)OC)c(Br)c3)C2=O)cc1 409108592 XASLHRKSASUVTO-VCHYOVAHSA-N 628.295 4.837 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccccc4)o3)c(=O)n2[C@H]1c1ccccc1OC 409108870 WSKLCDSAYCRHAR-OLIAQGHGSA-N 559.713 4.856 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)sc2c1CCCC2 409114717 PWOFGJCEEMNEJD-UHFFFAOYSA-N 512.653 4.946 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)C1=O)N1CCOCC1 409129087 QSOWFTZHRDJYSO-YBFXNURJSA-N 708.287 4.509 0 40 KJAB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(O)c(OC)c3)C2=O)ccc1Cl 409167305 IFVKZUZIAYNTJG-RGVLZGJSSA-N 549.001 4.695 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)ccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 409191860 OZOOZVZTBPICQM-CRCYZHLCSA-N 623.083 4.516 0 40 KJAB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4C)C3=O)cc2)cc1 409203970 AIOJQZQROFXPBO-IWIPYMOSSA-N 543.601 4.774 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)c(Br)cc1OCc1ccccc1 409242570 OSTZZNCRRLQWCN-LPYMAVHISA-N 580.435 4.967 0 40 KJAB COC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccc(Cl)cc3Cl)C(C)C)n2C)c1 409342476 GKRSHNRBZBDKSY-FQEVSTJZSA-N 550.468 4.766 0 40 KJAB COc1ccc(CN2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCn1cccn1 585272300 SBKGLAAJJSKJAZ-UHFFFAOYSA-N 506.430 4.683 0 40 KJAB COc1ccc(CC(=O)N2CCCN(C(C)C)CCN(C(=O)CCCn3ccnc3)Cc3cccc(C)c32)cc1 643567175 VFASHFCQLNBMGH-UHFFFAOYSA-N 545.728 4.699 0 40 KJAB COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2cnc3ccccc3c2)cc1O 906334 HKHXUMZSXWYQNU-YTTGMZPUSA-N 572.625 4.785 0 40 KJAB Cc1ccc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccc(Br)cc3)c(=O)[nH]c2c1C 914293 OEQOVSRVCRBRRI-UHFFFAOYSA-N 501.402 4.892 0 40 KJAB COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCC4)CC(=O)N32)ccc1OC(C)C 2111946 FGVPASHGLKVFSL-PWUYWRBVSA-N 501.627 4.981 0 40 KJAB biogenic CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3CCc4ccccc43)n2-c2ccccc2)c1 3264914 FTXIXPJZIBLIFK-UHFFFAOYSA-N 547.706 4.646 0 40 KJAB O=C(COc1ccc(Br)cc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 8687915 XQQSIVFGMGNUDN-UHFFFAOYSA-N 536.492 4.632 0 40 KJAB aggregator COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)CN3C[C@@H](c4ccccc4)NC3=S)CCSCC2)cc1 8748446 LDEUPDOTBHRMRA-MHZLTWQESA-N 592.762 4.999 0 40 KJAB CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CC(C)(C)NC2(C)C 9391511 YLKYJDDKAZQSPR-UHFFFAOYSA-N 533.716 4.511 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2)c(OC)c1 13030020 SYHHYTSHCYNFAS-LJAQVGFWSA-N 527.625 4.590 0 40 KJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c1 14399972 CICXGCLRFLCPSA-UHFFFAOYSA-N 529.684 4.598 0 40 KJAB COc1cc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)ccc1OCc1ccc(Cl)cc1 16189127 PCAUNWHVLMDEEO-UHFFFAOYSA-N 525.074 4.806 0 40 KJAB COc1ccc2sc(N(CCCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc2c1 38144528 WEEXSQLISBEGAL-UHFFFAOYSA-N 564.733 4.650 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)c(OC)c1 59883894 IKUBBLXFGKPJRD-UHFFFAOYSA-N 622.043 4.582 0 40 KJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 97954845 WVIQMLLJZZBOCT-IARZGTGTSA-N 540.597 4.814 0 40 KJAB COc1cc(OC)cc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccc(Cl)c(Cl)c2)c1 97961581 DUBMNDQDJWEXBD-UHFFFAOYSA-N 579.491 4.709 0 40 KJAB CCOc1cc(/C=C2/SC(=N)NC2=O)cc(I)c1OCCOc1cccc(C)c1 97964530 WYODZXNJNNSRTP-LDADJPATSA-N 524.380 4.595 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)c(=O)n2[C@H]1c1cccc2ccccc12 97965449 JRXSJOSJGMMIHT-ASZNLBCTSA-N 564.619 4.910 0 40 KJAB O=C(C[C@H]1C(=O)N(c2ccc(F)cc2)C(=S)N1Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(F)cc1 97995459 CPKGLBKBDFLNAM-DEOSSOPVSA-N 534.588 4.623 0 40 KJAB COc1ccccc1N(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)[C@H](C(=O)NC1CCCCC1)c1ccc(C)o1 100289980 HYYRSWMPADYNEL-NDEPHWFRSA-N 542.640 4.782 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 100374559 PLHVZRSOICOQQH-SANMLTNESA-N 540.599 4.893 0 40 KJAB O=C(Nc1ccc(Br)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 102368541 AVHCJOBCCSNGBC-HXUWFJFHSA-N 538.261 4.740 0 40 KJAB CN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(C(C)(C)C)cc1)CC2)[C@H]1CCS(=O)(=O)C1 103079679 MRTNIRUUKBEXOQ-RVQWUSFHSA-N 546.689 4.821 0 40 KJAB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4cc(Br)c(O)c(OC)c4)c(=O)n31)c1ccccc1CC2 104655566 ZXRATSIDCUOWIA-LMSRTUJASA-N 575.484 4.804 0 40 KJAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)N(c1ccccc1)S(C)(=O)=O 110506243 RWPMQCRGELQHKM-OAHLLOKOSA-N 542.466 4.587 0 40 KJAB COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2CCCOS(=O)(=O)c1ccc(C)cc1 148664931 MUTPKXLZCSJXLH-RBVMOCNTSA-N 583.488 4.505 0 40 KJAB COc1ccc(CCNC(=O)c2ccc(Cn3c(SCC(=O)NCc4ccccc4)nc4cc5c(cc4c3=O)OCO5)cc2)cc1OC 150444834 LLMJMQJBQPNBJP-UHFFFAOYSA-N 666.756 4.572 0 40 KJAB C[C@@H](CCC(=O)NNC1=c2cc(Br)cc(Br)c2=NC1=O)[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 160818678 JBHLEOSHZKKTQZ-HNTJEXFPSA-N 693.521 4.507 0 40 KJAB Cc1cccc(COc2c(I)cc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)cc2I)c1 214682047 PYTMAPGHEKTETG-UDWIEESQSA-N 704.324 4.678 0 40 KJAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)[C@@H]4CCCN(S(=O)(=O)c5cc(Cl)ccc5OC)C4)cc32)cc1 222597098 SQMBOUOPJYMJQN-OAQYLSRUSA-N 584.094 4.600 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C 222689405 JZSRDIORCHDULF-QHCPKHFHSA-N 551.709 4.885 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 222710643 DMCHDCJXQDBHMN-DEOSSOPVSA-N 582.937 4.799 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 222747119 RIFHSBBZNSWOEV-XMMPIXPASA-N 572.555 4.880 0 40 KJAB CCc1ccc(OCC(=O)N(Cc2ccc(OC)cc2)[C@@H](CC)C(=O)NC(C)C)c(Br)c1 222885016 XRTJBCPZTTWQJD-QFIPXVFZSA-N 505.453 4.731 0 40 KJAB 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CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 261063681 OENXUDJCRKMEKD-IDISGSTGSA-N 618.569 4.909 0 40 KJAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1cccc(I)c1 408531301 GQOCDWUEGLCTCO-UHFFFAOYSA-N 513.360 4.721 0 40 KJAB COc1cc(NC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2Cl)c(OC)cc1Cl 408588603 DITBFVUQQSFZEM-UHFFFAOYSA-N 537.421 4.780 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(C)c3C)CC2)c2cccc(C)c2C)cc1 408622133 AXNLZDSLZDNCJH-UHFFFAOYSA-N 505.684 4.773 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)N1CCN(c2ccccc2)CC1 408636491 RCNBXHGPIALNBF-UHFFFAOYSA-N 520.438 4.522 0 40 KJAB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)c4ccccc4C3=O)cc2)cc1 408642001 LWPQBBSVZMPILM-UHFFFAOYSA-N 589.025 4.952 0 40 KJAB Cc1cc(Br)ccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408680614 ICZYEUWQRZOAIZ-DNTUSOGLSA-N 573.443 4.520 0 40 KJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408682030 FWTATJXOTOIYAJ-ATEVHTGXSA-N 593.861 4.785 0 40 KJAB Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)S(C)(=O)=O)cc1 408695113 PRUIROAIFMJEAZ-UHFFFAOYSA-N 529.684 4.598 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)cc2)c1 408701672 CHUHNNRHSUMWHA-UHFFFAOYSA-N 541.695 4.840 0 40 KJAB Cc1sc2nc(-c3cc(I)c(O)c(I)c3)nc(O)c2c1C 408735759 XAWICTNPDCBOJL-UHFFFAOYSA-N 524.121 4.596 0 40 KJAB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 408902524 JABYIXARLUPVLX-XKZIYDEJSA-N 550.434 4.554 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C\c3cc(Br)c(OC)c(OCC)c3)c2=O)=N1 408928070 VNRDFFUCFPSWCE-ZDQFFALBSA-N 615.546 4.757 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1 409055012 XFWSMLJGRGNJKT-UHFFFAOYSA-N 530.905 4.705 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C3\C(=O)Nc4ccc(Br)cc43)c2=O)=N1 409110785 GSTLBYPXTZGDEB-UGUGFTGJSA-N 605.901 4.612 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3\C(=O)N(Cc4ccccc4)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1 409112888 DNVTVNOYUOTUDA-KLTDSXCCSA-N 627.722 4.861 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(Br)c1OCc1cccc(F)c1 409130561 IEPBAJMUFLCJNK-RQZCQDPDSA-N 510.337 4.687 0 40 KJAB COc1ccc(-n2nc(C(=O)N3CCN(Cc4ccccc4)CCCN(C(C)=O)c4cc(F)c(F)cc4C3)nc2C)cc1 643553606 BNRLBZBIHDCGDI-UHFFFAOYSA-N 588.659 4.764 0 40 KJAB CCOC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2Br)c(C(=O)OCC)c1C 719954 HPERMQZHAJUHPT-UHFFFAOYSA-N 504.786 4.843 0 40 KJAB COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3cccc(OC)c3)N(Nc3ncc(Cl)cc3Cl)C2=S)cc1 720303 XBGBIQQXWJUSPE-HXUWFJFHSA-N 546.436 4.764 0 40 KJAB Cc1cc2cc(C)c3nnc(SCC(=O)Nc4ccc(S(=O)(=O)N5CCCCC5)cc4)n3c2cc1C 1223273 BKOPXSFCHBPWNZ-UHFFFAOYSA-N 523.684 4.713 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cn(CC)c4ccccc34)c(=O)n2[C@H]1c1cccc(OC)c1 2049633 AQXJYMLJJXCVHW-BFOKUZPWSA-N 563.679 4.919 0 40 KJAB Cc1c(O)cccc1C(=O)N[C@H](CSc1ccccc1)[C@@H](O)CN1C[C@@H]2CCCC[C@@H]2C[C@@H]1C(=O)NC(C)(C)C 3874490 QAGYKUNXZHXKMR-URROMKBVSA-N 567.796 4.748 0 40 KJAB COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)c4ccc(C(=O)OCC(=O)c5ccc(OC)cc5)cc4C3=O)cc2)cc1 4178285 MYMFMLAGGPULAQ-UHFFFAOYSA-N 607.571 4.584 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)cc1OC 6074510 MTSPIVBAQGRTJM-HHHXNRCGSA-N 595.075 4.835 0 40 KJAB CCOC(=O)c1sc(NC(=O)CSc2nnc(COc3cccc4ccccc34)n2CC)nc1C 6878463 JVCBTLIRMBFPLP-UHFFFAOYSA-N 511.629 4.703 0 40 KJAB COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 8836808 RTSZDQIXZIBXIX-QQXSKIMKSA-N 522.605 4.807 0 40 KJAB biogenic COc1ccc([C@H]2[C@@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)OC2(CCCC2)OC3=O)cc1 9312193 FYDCOKDZCCELBK-KMDXXIMOSA-N 516.594 4.524 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(Cc1ccccc1)C(=O)CNC(=O)c1cccs1 12488413 AYJOWFMQBQKPSA-RUZDIDTESA-N 507.656 4.561 0 40 KJAB C[C@@H](C(=O)N(Cc1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccc(O)cc1)n1nnc2ccccc21 12635125 KGISTHBOYDXXGF-AFMDSPMNSA-N 501.587 4.510 0 40 KJAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)c(Br)c1 13581782 LCZPNCJISWGPPS-QFIPXVFZSA-N 511.376 4.501 0 40 KJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2Cl)cc1C 14155461 KGNDKEYUWWLXTC-UHFFFAOYSA-N 502.011 4.859 0 40 KJAB CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2CCc2sccc2C)cc1 15320942 OHCXDOREXBVXRU-HSZRJFAPSA-N 507.612 4.873 0 40 KJAB Cc1cc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCN(c4cccc(C)c4C)CC3)c(=O)[nH]c2cc1C 20079848 PNGLMAQNNXIGQW-SSEXGKCCSA-N 533.680 4.708 0 40 KJAB Cc1cc(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1Br 32731749 YSHWCSQXGBTTJQ-UHFFFAOYSA-N 500.315 4.570 0 40 KJAB COc1cc(CN([C@@H]2CCCC[C@@H]2C)S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)cc(OC)c1OC 33355666 GFNANWOKEHDQFD-NBGIEHNGSA-N 580.769 4.703 0 40 KJAB Cc1ccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@]23C(=O)Nc2ccccc23)cc1 61999373 KXZMEDIJZBYICC-BAAZAXTHSA-N 512.009 4.971 0 40 KJAB biogenic CC(=O)[C@H]1c2c(c(O)c3c(O)cccc3c2-c2c3c(c(O)c4c(O)cccc24)C(=O)C[C@@](C)(O)[C@@H]3C(C)=O)C(=O)C[C@]1(C)O 85727423 HLVSLAAHFAXHHP-JSUIZOTQSA-N 598.604 4.502 0 40 KJAB biogenic Cc1c(N(C)S(=O)(=O)c2cc(C(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3Cl)ccc2Cl)c(=O)n(-c2ccccc2)n1C 97976758 UWRLCPVDVMHZIN-UHFFFAOYSA-N 678.620 4.653 0 40 KJAB CC[C@@H](C)NC[C@@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 98048123 GIFKPQFWZFWIBD-IUODEOHRSA-N 548.206 4.753 0 40 KJAB CCOc1ccccc1CCCNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 100082922 WQODQRAFJPLENO-UHFFFAOYSA-N 531.472 4.792 0 40 KJAB O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](C(=O)c2ccccn2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 101333016 ZGCVUOYYXWVGOI-TVNXZVQQSA-N 541.563 4.792 0 40 KJAB O=C(NCCCN1CCCCC1)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)NCCCN2CCCCC2)[C@H]1c1ccccc1 101811331 CJOGTTSRUOLUTO-UTRLAFKGSA-N 544.784 4.784 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3nc4c(s3)CCC4)c(=O)cc1[C@@H](NC(C)=O)CC2 108450520 DSTQZKFMTFHDDW-NRFANRHFSA-N 592.718 4.639 0 40 KJAB biogenic Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)S(=O)(=O)c1ccccc1 140339619 WMMOEILLVDFMEE-UHFFFAOYSA-N 571.080 4.678 0 40 KJAB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 167676835 VHCONFNMERRANI-FMCGGJTJSA-N 551.418 4.926 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2ccnc2C)c2ccc(Br)cc2)cc1 215915305 ROZRBMPPDPEIKJ-UHFFFAOYSA-N 553.482 4.763 0 40 KJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)ccc2C)cc1 215959619 XEHZDJPVZULLJG-UHFFFAOYSA-N 536.635 4.552 0 40 KJAB COC(=O)c1cc2cc(NC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(Br)cc3)ccc2s1 216072678 HYWFVQZTRYGHRJ-OAQYLSRUSA-N 573.490 4.979 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 222532682 TZVVETPBVWWMJE-PXDATVDWSA-N 566.164 4.925 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(Cl)cc1 222643514 ZRBSGKQXDDCOFJ-HSZRJFAPSA-N 515.835 4.867 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](CC)C(=O)NC(C)C)S(C)(=O)=O 222672313 QKPSPJAQLSYDFM-QFIPXVFZSA-N 542.529 4.654 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 222921212 FCUSXPBPJKTDFC-MUUNZHRXSA-N 553.700 4.704 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 223047270 ULMZOPJRQDYCSO-FQEVSTJZSA-N 590.515 4.645 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 223173132 YYGOLEYZPZQGLW-RUZDIDTESA-N 542.101 4.706 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C(=O)NCCCOC(C)C)c2ccccc2)cc1 223309708 DUNJXNRKEJXKMP-WJOKGBTCSA-N 579.763 4.619 0 40 KJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223534583 IJGKDYLETQWXHF-VWLOTQADSA-N 595.762 4.584 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 223735158 PDGZEIGHAXBDDN-JGCGQSQUSA-N 599.753 4.975 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)c2ccccc2)cc1OC 223810960 SHBPVYCUPAQFFD-DEOSSOPVSA-N 593.746 4.684 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 223863750 JBBXNODFHJOHDB-IBGZPJMESA-N 542.529 4.710 0 40 KJAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2c(C)[nH]c(C)c2I)cc1 223961991 IKSMYINMMUMNMR-LEWJYISDSA-N 531.423 4.767 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 224174523 DVJQDOYYBDMZKD-AREMUKBSSA-N 647.579 4.612 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 224365930 JHROWJKTGDIUQN-MHZLTWQESA-N 570.155 4.969 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 224368161 DWEWAHSCEXUHOA-SANMLTNESA-N 574.118 4.800 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224371176 HIJDECNUNJSUTF-DEOSSOPVSA-N 636.142 4.644 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O 224426531 MBPZFWXOOJIHPY-MUUNZHRXSA-N 614.606 4.944 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 224469326 MVHVZRZRHAHFMA-HHHXNRCGSA-N 606.572 4.934 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 224526334 HCBSKSUEDMBZBC-LJAQVGFWSA-N 581.735 4.541 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 224579081 DDRPWOQOZQNCNA-RUZDIDTESA-N 566.164 4.783 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 224588936 KTAZPGVFUDDGSX-AREMUKBSSA-N 529.747 4.738 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(CN3CCCCC3)c2)c2ccc(F)cc2)cc1 224661768 DUUJOXUFBWUDOH-UHFFFAOYSA-N 539.673 4.722 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 224754184 NMSQFMOYKXYYIB-NRFANRHFSA-N 580.044 4.844 0 40 KJAB CC[C@@H](C(=O)Nc1ccc2c(c1)sc(=O)n2CC)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225116920 OIDKTVDWGZYXAE-HNNXBMFYSA-N 502.445 4.573 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 225141399 JDIHCJXHSAXNNN-MUUNZHRXSA-N 553.700 4.971 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225485683 JXRFNTURUMZUAL-HYBUGGRVSA-N 522.111 4.608 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 225499815 HCDIHAFXFWMWCM-MUUNZHRXSA-N 567.727 4.765 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 225544483 OUHCPNHXMGATGR-LJAQVGFWSA-N 549.737 4.544 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225620440 DYEHMTLZFJAWPF-HNNXBMFYSA-N 568.445 4.720 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 225644300 SNMQFMBZCOPLHP-GDLZYMKVSA-N 600.181 4.979 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 225683764 RZZADVJBCVAMBO-QFIPXVFZSA-N 557.663 4.658 0 40 KJAB C[C@H]1C[C@@H](C)CN(c2cc(N3CCCC3)nc(NC(=S)NCC3(c4ccccc4)CCOCC3)n2)C1 225992286 ALDUPNSHTJDEOM-SZPZYZBQSA-N 508.736 4.594 0 40 KJAB COc1cccc(N(C)C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)c1 226034519 QXBSZXYVUOMGJL-UHFFFAOYSA-N 537.863 4.965 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)Cc2ccc(Cl)cc2Cl)cc1 226067425 WGKDSMIJRAMBMP-UHFFFAOYSA-N 624.612 4.636 0 40 KJAB CCc1cc(Br)cc(CC)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 226089400 QMWSSLFUEHLTFB-LJQANCHMSA-N 523.493 4.930 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 260866123 AMBKZFGITNMOAT-MBSDFSHPSA-N 542.529 4.524 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 260917317 ZWCRDBVOXPRZBP-GDLZYMKVSA-N 579.763 4.796 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 261013147 USUROWCWRFHMDJ-RPBOFIJWSA-N 595.762 4.582 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 261017698 VPTASGQVADKXKW-SVEHJYQDSA-N 549.737 4.955 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 261039539 KGQWQQRHODCTBZ-RPWUZVMVSA-N 553.700 4.970 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 261047133 ZMQMGNNSGKTMKR-IBVKSMDESA-N 544.117 4.836 0 40 KJAB CCc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(OC)cc3)cc3cc(Br)ccc32)cc1 408579006 YCVYIPKNFSITMQ-UHFFFAOYSA-N 535.398 4.936 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408610384 QKYJKOPFOIDCBH-UHFFFAOYSA-N 510.612 4.795 0 40 KJAB CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4cccs4)cc3)CC2=O)cc1 408639208 WLEIAMQJQHDHPK-NRFANRHFSA-N 549.601 4.703 0 40 KJAB CCc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C[C@@H]5c5ccccc5)[C@H]4C3=O)cc2)cc1 408679532 CPUPUILOJSBVGJ-LIDOQRMKSA-N 522.601 4.974 0 40 KJAB O=C([C@@H](Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)N1CCCCCC1 408689790 ZIPILSQELBSEFE-KARJICKBSA-N 504.630 4.893 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc(C(=O)O)cc2)C1=O)Nc1ccc(F)cc1 408871180 YEOIQONPKUXLHU-XKZIYDEJSA-N 506.511 4.778 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408978631 ACWGUHDUGZHNBM-BATYBBAYSA-N 522.626 4.609 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4F)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 408989613 UIUNZMUPNFBUAL-OBDCIHEFSA-N 602.684 4.924 0 40 KJAB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccc(C)cc2C)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 408994725 ZVPRBVHKEOFWKG-XMMPIXPASA-N 527.643 4.539 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 409023656 AOZXFNOWGJAKOZ-UHFFFAOYSA-N 530.046 4.629 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccccc4)o3)c(=O)n2[C@@H]1c1ccccc1 409077912 BGEXKVHUDJIRJF-MWKGPOOMSA-N 502.617 4.543 0 40 KJAB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3nc(-c4ccccc4)c(C)s3)n2C)c1 409134842 OIRMNJHINLDNTM-MRXNPFEDSA-N 506.657 4.777 0 40 KJAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)cc(I)c3OC)C2=O)cc1 409166804 GEVVSUXDCPVKCR-RQZCQDPDSA-N 664.259 4.978 0 40 KJAB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NCCSCc1ccccc1 409168344 QPUFGHZIOSBKNP-UHFFFAOYSA-N 566.486 4.536 0 40 KJAB COc1cc(C=O)ccc1OCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1OC 409248235 CVNMOKMWIYVHAX-QQXSKIMKSA-N 562.600 4.649 0 40 KJAB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5nccc(C)n5)o4)c(=O)n32)cc1 409269963 MRQFNUIGNQXLOU-WNOSOOIWSA-N 578.741 4.751 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O)Nc1ccccc1Br 409340075 QARXSQQZXZODIU-OVCLIPMQSA-N 512.179 4.592 0 40 KJAB CN(C)c1ccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409380158 JIXURZUFKXCKIQ-VXKWHMMOSA-N 545.375 4.534 0 40 KJAB COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1-c1nc(-c2ccc(OC)cc2)c(-c2oc(C)cc(=O)c2O)[nH]1 1547208474 HJNHJZBMTDZPOI-UHFFFAOYSA-N 531.521 4.672 0 40 KJAB biogenic C[C](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)C[C@H]3C)c1 1560403722 GKEMNRPIRJDSIT-QGZVFWFLSA-N 500.554 4.683 0 40 KJAB Cc1nc2cc(NC(=O)CN3CCC4(CC=CCOc5ccc(Cl)cc5C(=O)N[C@@H](CC(C)C)C(=O)NC4)CC3)ccc2n1C 2037884915 IBXGGEIBNWVTQD-NDEPHWFRSA-N 635.209 4.855 0 40 KJAB Cc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c(-n2nc3ccccc3n2)c1 827250 RCLBZUQNJJCAOU-UHFFFAOYSA-N 511.003 4.776 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3F)[C@H](C(=O)NCc3ccc(F)cc3)c3ccc(C)o3)n2)o1 888075 SBLBGZDNZGTGLK-SANMLTNESA-N 546.534 4.512 0 40 KJAB Cc1ccc(CNC(=O)CN(C(=O)Cn2nnc(-c3ccc(C(F)(F)F)cc3)n2)c2cnc3ccccc3c2)cc1 1337537 ROBOZLIQERYXJF-UHFFFAOYSA-N 559.552 4.565 0 40 KJAB CCCOC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(=O)n3c2C(=O)Nc2cc(C)ccc2C)cc1 1786024 PTMWUFSUBLXCGH-UHFFFAOYSA-N 518.595 4.753 0 40 KJAB O=C1COc2ccc(C(=O)CSc3nnc(COc4ccc(Cl)cc4)n3-c3ccccc3)cc2N1 2651185 ZJBVLWOPMPLFOE-UHFFFAOYSA-N 506.971 4.806 0 40 KJAB COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nnc1S[C@H](C(=O)NC(N)=O)C(C)C 3431992 XEYKFNHDAJTDGN-VWLOTQADSA-N 531.638 4.834 0 40 KJAB CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 6077728 PHPBNEYSICXKLQ-DEOSSOPVSA-N 539.606 4.899 0 40 KJAB CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(Cc3ccccc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 8789455 ZQUDVHFNUVMNOS-FWUCURJTSA-N 509.606 4.807 0 40 KJAB biogenic COc1ccc(C2(CNC[C@@H](O)c3ccc(OCc4ccccc4)c(C(N)=O)c3)CCCC2)cc1OC 8919900 GDBNAVHQJKDQGK-RUZDIDTESA-N 504.627 4.517 0 40 KJAB biogenic Cc1ccc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2S(=O)(=O)c2ccc(Cl)cc2)cc1 9392251 OJYCQHBWAHHTCG-HSZRJFAPSA-N 504.033 4.560 0 40 KJAB Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccc(OCc5ccccc5)cc4)n3N)[nH]n2)cc1 9510689 IXNCSDZIBAPPJF-UHFFFAOYSA-N 511.611 4.667 0 40 KJAB CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(NC(=O)/C=C/c3ccc(OC)c(OC)c3)scc12 11757945 CTUIFZNPXQWCQH-WUXMJOGZSA-N 539.997 4.946 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1 13024621 PIRGUTQTZKBVCH-AREMUKBSSA-N 503.578 4.658 0 40 KJAB CCOc1ccccc1[C@H](C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 13028829 MAJXSKLYHBWQJQ-MUUNZHRXSA-N 515.614 4.642 0 40 KJAB C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccc(Br)cc1 20023933 KCTFJMSPYAIATJ-LJQANCHMSA-N 515.473 4.780 0 40 KJAB COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N(Cc1ccccc1)Cc1ccccc1Cl 20082864 VTHJMZZKVGIZBY-MHZLTWQESA-N 529.044 4.915 0 40 KJAB COc1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)c2cc(NC(=O)c4ccc(OC)c(OC)c4OC)ccc2C3)c(OC)c1OC 29747550 BZBNUTKKLIPQHU-UHFFFAOYSA-N 648.690 4.980 0 40 KJAB Cc1ccccc1OCC(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 59331692 OWLITBIZWGHYFL-UHFFFAOYSA-N 523.058 4.503 0 40 KJAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 59930333 GTUQFGFWYSZCBE-UHFFFAOYSA-N 556.128 4.683 0 40 KJAB O=C(NCCSCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 60028797 UEQSUXXDADPASQ-UHFFFAOYSA-N 545.952 4.694 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)c(=O)n2[C@@H]1c1ccccc1 66123101 QOUIFCHSHUSXNX-AHQATDLNSA-N 576.630 4.894 0 40 KJAB CN(C)c1ccc(NC(=S)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN2CCC(Cc3ccccc3)CC2)cc1 67870809 QTEGWTCMFDJZKJ-QXTIUPHPSA-N 505.776 4.704 0 40 KJAB biogenic,in-vitro O=C(O)CCC(=O)N1N=C(c2c(-c3ccc(Cl)cc3)c3ccccc3[nH]c2=O)C[C@H]1c1cccnc1 95945933 PPRWOVSCBDTODM-QFIPXVFZSA-N 500.942 4.786 0 40 KJAB COc1ccc(OC)c([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)c2cccc3c2CCCC3)c1 100329555 WAVKSKKPPSDOFO-GDLZYMKVSA-N 586.693 4.827 0 40 KJAB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=Cc4ccccc4N2[C@H]3C(=O)c2ccc(Br)cc2)cc1 100818818 MSXDJBZNTKJAGR-OJJQZRKESA-N 529.390 4.730 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C\C=C\c4ccccc4)c(=O)n32)cc1OC 101388936 CZELDUHVOIDZEZ-MGOABOMMSA-N 551.668 4.865 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(-c4ccccc4F)n3C3CCCCC3)CC2)cc1 103068431 OGJGQIIYZHYVGZ-UHFFFAOYSA-N 557.717 4.523 0 40 KJAB COC(=O)COc1c(I)cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC 106682654 DKJIJBAMAOYYNM-MFOYZWKCSA-N 573.792 4.742 0 40 KJAB 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CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)CC(=O)N21 2112118 WQLAMORNKLPGTD-DHIFEGFHSA-N 518.617 4.976 0 40 KJAB biogenic O=C(COCC(=O)Nc1nc2c(s1)CCc1ccccc1-2)Nc1nc2c(s1)CCc1ccccc1-2 3175606 XEODYTLYHKPABO-UHFFFAOYSA-N 502.621 4.725 0 40 KJAB COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N(CCc1ccccc1)Cc1ccc(Cl)cc1 6443992 LGJSVEUMTOPIEL-MUUNZHRXSA-N 543.071 4.957 0 40 KJAB COc1ccc(NC(=O)[C@H](c2ccc3c(c2)OCO3)N(Cc2ccc(C)cc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 8713372 SBTXVYNGHUEDNU-HKBQPEDESA-N 591.620 4.670 0 40 KJAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(I)c1O 9295714 DVKIKJXGOZGGSG-NVNXTCNLSA-N 501.729 4.895 0 40 KJAB COc1ccc(CCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@H]2CC(=O)Nc2ccccc2)cc1OC 9428752 UJUFKYJWUHCGFS-JOCHJYFZSA-N 524.042 4.931 0 40 KJAB COc1ccc(-c2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@@H]4c2cccnc2)cc1OC 9451515 MQCQTFFQBGUTNG-DEOSSOPVSA-N 517.549 4.984 0 40 KJAB O=C(Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)NC[C@H](c1ccco1)N1CCCC1 12598757 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CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 222486676 WNFUEAKKWMWOJP-CJFMBICVSA-N 552.137 4.617 0 40 KJAB C[C@@H](NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 222662425 DNIJLLVTXKFJND-MRXNPFEDSA-N 521.422 4.837 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1cc(C)cc(C)c1 222675671 XLCAZZVSNILRRC-VWLOTQADSA-N 509.444 4.831 0 40 KJAB C[C@@H](C(=O)NCc1ccccn1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 222789356 RGOLACXRLBHTKK-NRFANRHFSA-N 611.095 4.787 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 222843699 ZDLXAZVDFHFEOH-NRFANRHFSA-N 662.205 4.902 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCc2ccc(OC)cc2)cc1 223019954 YTHNZCTYUYXWQN-XIFFEERXSA-N 613.780 4.883 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O 223466645 YMPHINCJDXLANO-FQEVSTJZSA-N 546.492 4.621 0 40 KJAB COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](C(=O)NCc2ccco2)c2ccccc2)cc1 223534989 HFQYAKIVKQZWHG-JGCGQSQUSA-N 601.725 4.748 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 223658320 GVOYWDLZNWZOMJ-QFIPXVFZSA-N 616.578 4.823 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 223856509 CJQVFRPAHKVWBS-NRFANRHFSA-N 590.117 4.935 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 224128638 FWSHFYFEVFZDKM-NDEPHWFRSA-N 570.155 4.889 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccccc1 224185568 YULHRJKNFUCISI-MHZLTWQESA-N 535.710 4.696 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224586819 MWHROYBDNYMLTL-LJAQVGFWSA-N 639.746 4.667 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224623683 MVPWWUHGNSRXFL-GDLZYMKVSA-N 623.747 4.701 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 224651735 HLNZGTAQKZMMKH-MGGBCXBISA-N 565.780 4.864 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 224762071 MRFIXTNBKUEZCB-QHCPKHFHSA-N 569.699 4.672 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1OC 224991539 UGRYWTFZWKPPID-DEOSSOPVSA-N 625.763 4.947 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 225106853 ICMJXZZLTOALBQ-LJAQVGFWSA-N 565.736 4.923 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 225138954 HLQVNEUIZXSMBW-AREMUKBSSA-N 548.149 4.979 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 225322690 IVIMCXXXFGSOGD-RTBURBONSA-N 542.529 4.708 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225340114 XPDDVMJBLBHMOJ-HZPDHXFCSA-N 548.920 4.599 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O 225348276 MCWFFLJSQNPCLD-HSZRJFAPSA-N 542.529 4.655 0 40 KJAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccnc3)c2C)ccc1NS(C)(=O)=O 225448085 LLAMTWHDQNTDIE-IZZNHLLZSA-N 532.695 4.741 0 40 KJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)cc1NS(C)(=O)=O 225486348 PJLDLQCTNPTOHK-DQEYMECFSA-N 537.642 4.569 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 225732323 GYIWBTYVXUAPQB-MUUNZHRXSA-N 569.699 4.670 0 40 KJAB S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1nc(Sc2ncccn2)cc(N2CCOCC2)n1 225921231 LVWZVWQJENRQCG-UHFFFAOYSA-N 540.074 4.654 0 40 KJAB CC(C)c1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 260747676 APLJLEKVPBISRG-OAQYLSRUSA-N 531.694 4.581 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)[C@H](C)C(=O)NC1CCCCC1 260778431 IFOQTDJWXYBFFQ-XMMPIXPASA-N 623.747 4.967 0 40 KJAB 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4.791 0 40 KJAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCc4c[nH]c5ccccc45)CC(=O)N32)cc1 2147809 BENVPLAKPYUJML-BHBYDHKZSA-N 504.590 4.585 0 40 KJAB biogenic COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(Cc4ccc(Cl)cc4)CC(=O)N23)cc(OC)c1OC 2150354 JXIPAZKVTPCLBD-LXFBAYGMSA-N 546.023 4.732 0 40 KJAB biogenic Cc1ccc(-c2nnc(Nc3cccc(C(F)(F)F)c3)c3ccccc23)cc1S(=O)(=O)NCCO 2348199 UTDQUZBJBKWRTN-UHFFFAOYSA-N 502.518 4.638 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2cn(Cc3ccccc3Cl)c3ccccc23)cc1 2722290 GVIBXEBOFPAZMG-UHFFFAOYSA-N 510.999 4.932 0 40 KJAB COc1cc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc3n2)cc(OC)c1OC 3207477 YJVFQPOAYUOJKK-UHFFFAOYSA-N 524.577 4.978 0 40 KJAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1 6197786 PKQJFIVNSQJXRM-UHFFFAOYSA-N 522.627 4.934 0 40 KJAB COc1ccc(CCNC(=S)N(CCc2ccccc2C)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1OC 6444218 GUSRHMGXMSOBNP-UHFFFAOYSA-N 559.688 4.744 0 40 KJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc(Cl)c(N)c2)c1 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KJAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)OCc1ccc(COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 103090105 MKLAMUDNABBSFL-UHFFFAOYSA-N 599.510 4.808 0 40 KJAB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(Br)cc1OCc1cccc(C(=O)O)c1 145622056 CXHHHDISXHFTRX-JJFYIABZSA-N 537.391 4.505 0 40 KJAB O=C1[C@@H]2N=NN(CC(=O)N3N=C(c4ccc(Br)cc4)C[C@@H]3c3ccccc3)[C@H]2C(=O)N1c1ccc(Br)cc1 150668505 DUQMRMWKDYJZPV-QLBJFCOMSA-N 636.304 4.883 0 40 KJAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2c3ccc(Br)cc3C[C@@H]2C)CC1 222581832 MEGHISZZQSYSRL-HNNXBMFYSA-N 541.895 4.880 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3c4ccc(Br)cc4C[C@H]3C)CC2)cc1Cl 222600382 NLOZQDFYSDLANQ-OAHLLOKOSA-N 541.895 4.880 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 222754902 DTHBITDDNOCGQU-HXUWFJFHSA-N 562.519 4.969 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 222845260 GIDAOVCHUXMNPK-HKBQPEDESA-N 615.752 4.594 0 40 KJAB 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CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 224538040 MNWQFTFTXLEQGT-NRFANRHFSA-N 562.947 4.992 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224663875 GPBZRJUOUKSBAY-QGZVFWFLSA-N 546.492 4.621 0 40 KJAB COc1ccc(CNC(=O)c2ccc(CN(c3ccc4ccccc4c3)S(C)(=O)=O)cc2)cc1OC 224689556 RLQMAKXRORHBGU-UHFFFAOYSA-N 504.608 4.753 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 224759217 BYENQGHIWUNOFI-RUZDIDTESA-N 535.710 4.751 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 224797928 FVFOMOALMBDUAF-HXUWFJFHSA-N 576.090 4.627 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 224830399 AMJMARDQPCTXJL-NRFANRHFSA-N 539.673 4.611 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCCO2 224954753 FAFOLBIYIXCTAK-SANMLTNESA-N 504.602 4.694 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2cccc(OC)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 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4.868 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 225482336 AUVOVNOJLNOFCG-LJQANCHMSA-N 667.420 4.887 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 225505719 CVVCUHPRHNNMGG-FUFSCUOVSA-N 565.736 4.921 0 40 KJAB CCCCn1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nc2c(-c3ccccc3)c[nH]c2c1=O 225539678 IYYYFVXFNPRRQO-UHFFFAOYSA-N 519.646 4.772 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(-c3ccccc3)s2)c2ccc(Cl)cc2)cc1 225603098 CEZGUJLLTJOKSV-UHFFFAOYSA-N 515.016 4.701 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 225700465 WBYGQPHLRNOMNN-HXUWFJFHSA-N 574.541 4.558 0 40 KJAB O=C(OCC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1)[C@H]1CC(=O)N(CCc2ccccc2)C1 229845026 LWGNPPRVVJLIOB-DENMYUCTSA-N 541.604 4.630 0 40 KJAB C[C@H]1CCCC[C@@H]1N(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 245227443 NBJRNVOSAQFLDK-UFPGJGBJSA-N 504.718 4.877 0 40 KJAB COc1ccccc1[C@H](C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 260813103 PRPSTXDGSOWQOQ-AFMDSPMNSA-N 508.640 4.826 0 40 KJAB COc1cc(N(Cc2ccc(C(=O)NC[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)c(OC)cc1Cl 260842750 XTFNFHLHGIMFTF-SFHVURJKSA-N 517.047 4.857 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 260861135 BMBADOWWCYVALF-JOCHJYFZSA-N 572.127 4.733 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccccc2Cl)[C@H](CC)C(=O)NCC(C)C)S(C)(=O)=O)cc1 260921381 UCYXGDASISPZGK-AREMUKBSSA-N 566.164 4.865 0 40 KJAB COc1ccccc1N(CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O 260939019 ZOISTDGMWKWMFO-LJQANCHMSA-N 572.555 4.738 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c(C)c1 260945747 QFJMPCBIJCOLQR-GDLZYMKVSA-N 567.727 4.621 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 260973378 MWAGBDKMWDSTJJ-DQEYMECFSA-N 565.736 4.839 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 260983289 BJKXTFLMYUSDDC-RTWAWAEBSA-N 522.111 4.527 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 261011272 UKAFIPIPAIQLHU-JOCHJYFZSA-N 539.673 4.661 0 40 KJAB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccccc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]12 408651708 NXAGUKRTURGPDI-JRLVAEJTSA-N 557.002 4.997 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)c(C)c2)cc1 408662537 JMSFHBVCGZHYGC-UHFFFAOYSA-N 519.392 4.615 0 40 KJAB Cc1cccc(C)c1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408683917 NSHWJOXORFFKGD-SVXPROOASA-N 536.628 4.702 0 40 KJAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 408696080 ZUNJODJXZQMXRY-UHFFFAOYSA-N 519.491 4.724 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)cc1 408700287 COQAMFLAUQLZPN-UHFFFAOYSA-N 587.720 4.630 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)c(C)c1 408712279 HAVUQOPDSRVDSQ-LJQANCHMSA-N 550.102 4.859 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OC(C)=O)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408734082 CXTLVZRHTKCZCO-PLQXQRLBSA-N 802.425 4.730 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@H]1c1cccs1 408864413 ZYOAJUPUGIEYAS-ZDJZVTAXSA-N 557.516 4.821 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4ccc(OC)cc4)cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408943619 UEFXALSWOCJMPH-WWWKDLBZSA-N 612.704 4.813 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cccc(OCc4ccc(F)cc4)c3)c2=O)=N1 409043085 ZIOFHXIHVUUCLK-CSJROMOCSA-N 528.605 4.516 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(Br)c(Sc5nc(C)cc(O)n5)o4)c(=O)n32)cc1 409100939 XIXWPKQYHXFWHS-NIQJEMAJSA-N 671.595 4.896 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409125917 BINMSJVUNJJJNK-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB O=C(Cn1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c2cc(Br)ccc21)N1CCOCC1 409129985 SVTMBNKCFAOTSI-JJFYIABZSA-N 558.429 4.638 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)ccc1OCC(=O)N1CCCC1 409360264 ZMSZOTYMRTYWDV-ONUIUJJFSA-N 559.644 4.915 0 40 KJAB Cn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1c(F)cc(F)cc1Br 409363014 UCFDNRILFJBQCQ-VOTSOKGWSA-N 556.820 4.570 0 40 KJAB CC[C@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1Br 409402063 VCJUPVPEVFNRJO-RCEBRVLHSA-N 511.756 4.752 0 40 KJAB Nc1nc(O[C@H](c2ccc(Cl)cc2-c2ccccc2)C(F)(F)F)cc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)n1 584905275 ZNSPHKJFQDEABI-NZQKXSOJSA-N 561.992 5.095 0 40 KJAB in-vitro COc1ccc(CN2CCC(O)(COc3cc(C)ccc3Cl)CC2)cc1OCCn1ccnc1C 585272622 UPDQWHFPJKPQCH-UHFFFAOYSA-N 500.039 4.647 0 40 KJAB CC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)CC[C@@H]3CCCO3)Cc3ccccc31)N2Cc1nccs1 643578206 QSJPWXCCNRVIRW-DSITVLBTSA-N 510.704 4.611 0 40 KJAB O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 637517 PHEHTVNUNLANMS-UHFFFAOYSA-N 536.456 4.672 0 40 KJAB CC[C@H](c1nnnn1C1CCCC1)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1325167 YICCLZSAHCBJOU-XMMPIXPASA-N 500.603 4.554 0 40 KJAB CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1374892 AIJWEAXCPLQIJQ-VWLOTQADSA-N 542.665 4.744 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(C4CC4)c3C)c(=O)n2[C@@H]1c1cccs1 2178229 WQZLYZMNEHFUPT-HZHYMEEXSA-N 529.687 4.750 0 40 KJAB CN(C)c1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)Nc3ccc(SC(F)F)cc3)cc2)cc1 3291373 RGVWLVBTIIIJJC-UHFFFAOYSA-N 535.594 4.664 0 40 KJAB COc1ccc(N(C(=O)/C=C/C(=O)Nc2cc(C)on2)[C@H](C(=O)NC2CCCC2)c2ccccc2C)cc1 8686951 CWRNZYKQCZCAHL-XEKAQFCISA-N 516.598 4.628 0 40 KJAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NCCc2ccc(F)cc2)C(=O)[C@]31C 8918098 MFKKOLJBUKZTNI-PMERELPUSA-N 526.568 4.528 0 40 KJAB biogenic CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(CCc2cccc(C)c2)C(=O)Cn2nnc3ccccc32)cc1 12713807 OZJHJAHVARZKCA-GDLZYMKVSA-N 527.669 4.866 0 40 KJAB CCN(CC)CCNC(=O)c1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 12884813 JDJAEKBGKCLGLC-SANMLTNESA-N 521.061 4.912 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1 13024740 VDYCCWXOOMFUCR-AREMUKBSSA-N 503.578 4.658 0 40 KJAB CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC 13787386 IFYYYSKSSMBLCP-PVHODMMVSA-N 502.567 4.934 0 40 KJAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2C2CCN(Cc3ccccc3)CC2)cc1 18195356 XDWBKZMTESINTQ-HHHXNRCGSA-N 528.678 4.691 0 40 KJAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 19894151 UNXQKKCTSBMTLV-ICTDUYRTSA-N 502.611 4.798 0 40 KJAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(c2cc(C)ccc2C)CC1 19941657 UIMMFMRWOXXUCF-HHHXNRCGSA-N 513.690 4.805 0 40 KJAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1cccc(Br)c1 20019788 XNJLJCJQFQXUIX-SFHVURJKSA-N 517.445 4.526 0 40 KJAB CC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccccc1OC)Cc1cc2cc(OC)ccc2[nH]c1=O 20109385 OXQRTBRPUUFGFA-VWLOTQADSA-N 502.619 4.800 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccc2)c2ccc(Br)cc2)cc1 20235533 MAXMSQSWQKDKTB-UHFFFAOYSA-N 519.486 4.861 0 40 KJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 33733522 ABVCTJBTGVEOCP-KIHHCIJBSA-N 503.480 4.860 0 40 KJAB O=c1/c(=C\c2ccc(O)cc2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 58856607 CVTQOPHCFNXVMX-XXMKCSCWSA-N 515.432 4.787 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)cc1 59852749 BHEMQJZTBPXAHB-UHFFFAOYSA-N 537.476 4.587 0 40 KJAB COc1ccccc1CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 70704448 UKVKBVLIILAWNZ-WSZLSEGOSA-N 584.676 4.690 0 40 KJAB biogenic CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3n(n2)[C@H](c2ccccc2)C=C(c2ccc(Cl)cc2)N3)cc1 100817286 PYTGJFVFVYKJMA-QHCPKHFHSA-N 521.002 4.747 0 40 KJAB COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(c6ccc(Cl)cc6)C(=O)[C@H]45)[C@H]23)cc1OC 100843570 UPYYFINRDNCBPX-UXHPTUOWSA-N 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COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c(F)c1F 105318495 VNCSFDZPNZEJAI-UHFFFAOYSA-N 532.563 4.701 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3ccc4c(c3)ncn4C)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 108449127 YGIOEHWCAPIUJK-DLLPINGYSA-N 613.715 4.825 0 40 KJAB biogenic COC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 205682803 DWCOKNBCHJWWKV-RQZCQDPDSA-N 526.792 4.899 0 40 KJAB COc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1NC(=O)CSc1nc(C)cc(C)n1 215689951 QOJAGTVKKHBIJQ-UHFFFAOYSA-N 544.427 4.635 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 215989732 UTCGJFNLRUDSMV-AREMUKBSSA-N 534.619 4.502 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 222526476 SCCPRFMKISZAEG-IBGZPJMESA-N 548.920 4.745 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 222544063 QUXAOQTVCVCTEJ-QHCPKHFHSA-N 522.111 4.561 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 222562069 LWXRDTRTMNEJAC-PMERELPUSA-N 563.764 4.790 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC)S(=O)(=O)c1ccccc1 222688696 WQVATNGDWNTWIJ-IBGZPJMESA-N 562.519 4.914 0 40 KJAB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 222755738 IFNHKHYMTVHZMT-KRWDZBQOSA-N 660.361 4.957 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 222910122 RYTOPEXNJNOTNF-LJQANCHMSA-N 578.518 4.751 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 222968341 RFMNKCGFZBTHNX-QFIPXVFZSA-N 632.179 4.895 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](CC)C(=O)NC)S(=O)(=O)c1ccc(SC)cc1 223040888 LPFCXXKRPFCLRW-SANMLTNESA-N 583.776 4.864 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 223100022 PGXSLZAWPGVUMH-VWLOTQADSA-N 565.736 4.923 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 223448438 MHHGZKPQBJCRHF-ABYGYWHVSA-N 579.763 4.633 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223587585 IWOVKDFSYMWMKQ-HHHXNRCGSA-N 581.735 4.623 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 223598484 BQHMKDSVRMFCHO-OAQYLSRUSA-N 572.525 4.506 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223698814 AVPYIOSLNXNTLO-HHHXNRCGSA-N 595.762 4.664 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1 223808536 GLCPEZBDWATWIB-DEOSSOPVSA-N 563.720 4.675 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 223841398 ICWGKVOCPMBOHW-DEOSSOPVSA-N 585.598 4.947 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 224158624 SVZKFCCFOUICNX-AREMUKBSSA-N 542.101 4.787 0 40 KJAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)c1 224547235 JYHQGRZKOKORFT-RPWUZVMVSA-N 515.547 4.924 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 224559708 WXGAQGHQRAQYID-GDLZYMKVSA-N 565.736 4.779 0 40 KJAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 224611406 UGFGTINBOOTIOR-GDLZYMKVSA-N 597.803 4.989 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 224635621 XJMVJXSMTPZVPW-NDEPHWFRSA-N 595.762 4.787 0 40 KJAB Cc1cc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)ccc1Br 224748686 FGTILUVDTPKITC-SFHVURJKSA-N 629.415 4.762 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 224751057 WSYZKLHIALSMCG-HSZRJFAPSA-N 539.673 4.581 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 224912629 VOJPSDPTTYXLEA-NDEPHWFRSA-N 565.736 4.779 0 40 KJAB Cc1cc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)ccc1Br 224971082 GVSJGYZNTPVTNQ-MHZLTWQESA-N 618.569 4.827 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 225063406 BPJXOQLAAIJDOP-NDEPHWFRSA-N 557.757 4.806 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 225158141 NJQGAAJIXGVGPR-JOCHJYFZSA-N 536.138 4.837 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 225281937 OAUPLMOGXFYTEW-PMERELPUSA-N 619.784 4.621 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 225283755 MPGOOSVQNHGBDO-MUUNZHRXSA-N 525.649 4.619 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 225376829 FPYFVQGDUXBXNY-MHZLTWQESA-N 663.578 4.829 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 225429019 ODSYKXYCJVXBOJ-JWQCQUIFSA-N 535.710 4.565 0 40 KJAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 225441523 NXEGKYGBJMBBNK-LJAQVGFWSA-N 583.726 4.796 0 40 KJAB 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CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 260991319 PZOBSWZBFUATNH-BTYSJIOQSA-N 581.735 4.976 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 260994562 DEPFOAQFBYDDLS-IDISGSTGSA-N 618.569 4.909 0 40 KJAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(Cl)cc2Cl)CC1 408555798 GIMXNSXBGKFVCF-UHFFFAOYSA-N 505.851 4.763 0 40 KJAB CCc1nc(S/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)C(=O)O)n[nH]1 408631193 FVJXIAKAYMGASL-YVLHZVERSA-N 504.362 4.625 0 40 KJAB CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1Cl 408635852 JJTHSVJZHOASFB-UHFFFAOYSA-N 503.045 4.826 0 40 KJAB CCc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408688738 XGKKSTOKJBHBPZ-PAYUHHOPSA-N 536.628 4.648 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408769473 MSBUEVXJKPWMAZ-BLTBREQDSA-N 723.598 4.894 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3sccc3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 408915965 SMCGQNDFAVIGKI-FGSNJIQSSA-N 530.671 4.704 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)cc1 408978633 ACWGUHDUGZHNBM-MAOFRMFISA-N 522.626 4.609 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc2Cl)cc1 409149013 VUNMLPJYDGIRAK-UHFFFAOYSA-N 518.466 4.846 0 40 KJAB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)ccc1Cl 409153318 HRFSEEWXLHCSCH-LZYBPNLTSA-N 509.765 4.564 0 40 KJAB COC(=O)[C@@H]1NC(c2ccc(C(F)(F)F)cc2)(c2ccc(C(F)(F)F)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 409191699 LBCPDOBNYYLEQQ-BHDDXSALSA-N 562.466 4.918 0 40 KJAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(Br)cc3C(C)C)n2C)c1 409361429 RUFQIGOZMQWYEQ-UHFFFAOYSA-N 516.465 4.670 0 40 KJAB CCCCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)c2ccccc21 409389123 OVMHSDORMRPOMT-JRXCRPKVSA-N 594.133 4.757 0 40 KJAB COc1cccc(CCc2nc(N3CCc4ccccc4CC3)ncc2C(=O)NS(=O)(=O)c2ccc(Br)cc2)c1 585265697 PQBLOWWJKVGJLH-UHFFFAOYSA-N 621.557 4.757 0 40 KJAB COc1ccc(CN2CCC(O)(COc3ccc(C)cc3C)CC2)cc1OCCCN1CCCCCC1=O 585278788 AEHNVMOSRMIPGN-UHFFFAOYSA-N 524.702 4.889 0 40 KJAB CN1CC2(CCCCc3ccccc3OCCCC1=O)CCN(C(=O)CC1CCN(c3cccnn3)CC1)CC2 643563746 RAZURRKQZLINGP-UHFFFAOYSA-N 547.744 4.736 0 40 KJAB COc1ccc(CC(=O)N2CCCN(C(C)C)CCN(C(=O)CCn3ccnc3C)Cc3cccc(C)c32)cc1 2037912846 TZLQRCQGZFOJBI-UHFFFAOYSA-N 545.728 4.617 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 979760 WZACBVISHHKEPU-UHFFFAOYSA-N 521.422 5.000 0 40 KJAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC)cc2)Cc2ccco2)cc1 1350888 SQWHWNDADZIQHQ-UHFFFAOYSA-N 554.690 4.890 0 40 KJAB COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCc1ccccc1)c1ccccc1F 1372485 FRDBNFYFPLGKJM-PMERELPUSA-N 537.595 4.666 0 40 KJAB COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCN(Cc4ccccc4)CC3)CC(=O)N21 2111219 MEWHADDSCOJICJ-IUDBTDONSA-N 534.660 4.526 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccccc4)c3)c(=O)n2[C@H]1c1cccs1 2665784 ZQGYOLXXJCKPMS-FOOJEKODSA-N 502.617 4.652 0 40 KJAB Cc1ccc([C@@H](C(=O)NCc2ccco2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2C)cc1 8667027 ZKCKMCAVICLBMA-SANMLTNESA-N 501.608 4.779 0 40 KJAB aggregator NC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc4c(c2)OCO4)CCC3)cc1 8685182 XXNQHKWOIVIKCS-ZHZULCJRSA-N 535.556 4.735 0 40 KJAB aggregator CN(C)c1ccc(NC(=O)[C@@H](c2ccc(F)cc2)N(Cc2ccccc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 8695773 NSGWBVQGXCPRBK-SSEXGKCCSA-N 564.617 4.830 0 40 KJAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c2ccccc2)o1 12705586 AQVNLWKGPSGFFZ-SANMLTNESA-N 516.577 4.604 0 40 KJAB CCOC(=O)/C=C(/NC(=O)Nc1cccc(C(F)(F)F)c1)NN(C)c1ncc(C(F)(F)F)cc1Cl 12858896 RHDBYTKXUGEXNB-DHDCSXOGSA-N 525.837 4.940 0 40 KJAB Cc1cccc([C@H](C(=O)NCc2ccc3c(c2)OCO3)N(C(=O)c2csnn2)c2c(C)cccc2C)c1 12871487 ZHVXUPHKQLGGKK-AREMUKBSSA-N 514.607 4.897 0 40 KJAB COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cncc(Br)c4)nc3c2)cc1OC 14275751 VLZUGAKFFYVGFF-UHFFFAOYSA-N 513.373 4.796 0 40 KJAB C[C@H](NC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1cccc(Br)c1 20024057 LOBMRWWTDXTMAT-SFHVURJKSA-N 501.446 4.738 0 40 KJAB CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCN(c2cccc(C)c2C)CC1 20079677 COMGDISXSGUNFQ-MHZLTWQESA-N 513.690 4.805 0 40 KJAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N(Cc3ccc(F)cc3)Cc3ccco3)cc2c1 20083967 XBJSDYVPVUTSNX-VWLOTQADSA-N 516.577 4.802 0 40 KJAB CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)CC1 32127180 IGQGTSYZTLLWPJ-UHFFFAOYSA-N 516.667 4.697 0 40 KJAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cc1 59444582 GTBMHZPSMPZCTQ-UHFFFAOYSA-N 507.837 4.975 0 40 KJAB COC(=O)c1cc2cc(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3cc(C)ccc3OC)ccc2s1 59836305 SPMQMNQEPJFHDX-UHFFFAOYSA-N 538.647 4.835 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(Br)cc3)c2=O)=N1 100306209 FFXZLVOUXUCYSW-WLGHQHAYSA-N 548.437 4.776 0 40 KJAB CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 100372396 ZLODHJLLMFQGME-AZGAKELHSA-N 560.699 4.524 0 40 KJAB Cc1cc(N2CCCC2)nc(Nc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)n1 100957725 HAVYJQLKWHAPOS-UHFFFAOYSA-N 535.411 4.534 0 40 KJAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccc(OC)cc2)cc1 102698336 DPSCPAUNQJIQFK-XPWALMASSA-N 509.356 4.517 0 40 KJAB O=C(Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)N1CCC(C(=O)N2CCCCC2)CC1 102995850 QUJHMCMORARFQY-UHFFFAOYSA-N 538.497 4.588 0 40 KJAB CC(=O)c1ccc(N2CCN(C(=O)CSC3=N/C(=C/c4cccs4)C(=O)N3c3ccccc3)CC2)cc1 215755248 PFHRVSNZUOGOGI-XIEYBQDHSA-N 530.675 4.776 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 222512025 MMBWGHDSBGKZJQ-HHHXNRCGSA-N 572.127 4.876 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 222610715 FOPLFDUIMOGRJQ-MUUNZHRXSA-N 553.700 4.970 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 222695793 JYDRESUWAXSRDE-IBGZPJMESA-N 578.518 4.669 0 40 KJAB CC(C)CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 222868114 CQXHIYIFIGZORR-OAQYLSRUSA-N 573.662 4.724 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 222968277 RFMNKCGFZBTHNX-JOCHJYFZSA-N 632.179 4.895 0 40 KJAB O=C(NCc1ccc2c(c1)OCO2)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223064667 CQJMICKBTWCWEK-MUUNZHRXSA-N 506.602 4.914 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 223076758 ROTGDUWOQBIYJF-JOCHJYFZSA-N 521.683 4.771 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN1C(=O)c2cccc3cccc1c23 223155844 NUIWIRZGDINPQT-NDEPHWFRSA-N 505.618 4.885 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 223300360 LGYFGQLXLFTGFH-VAVYLYDRSA-N 549.737 4.788 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 223436000 BPHFBIOMAINTAQ-QHCPKHFHSA-N 569.699 4.672 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 223562641 ZIESKFLGTJPAKL-RUZDIDTESA-N 606.970 4.645 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 223701934 NGNOZTKLFIERHT-SANMLTNESA-N 622.571 4.553 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 223814537 YPPOPJAMOZAQON-MHZLTWQESA-N 597.709 4.516 0 40 KJAB S=C(NCC1(c2cccc(Cl)c2)CCOCC1)Nc1ncc(Br)nc1Br 224022063 OZAGKMUZXWDVSY-UHFFFAOYSA-N 520.678 4.690 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 224026997 FRFMEZHWEMGKSV-QFIPXVFZSA-N 599.775 4.565 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 224092570 KIYCJKYAGPHVGE-QFIPXVFZSA-N 633.552 4.676 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)c1 224115280 UVLCEKMUFWGLBI-SANMLTNESA-N 549.737 4.997 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1 224157413 JIOMVUZFXPSPQG-VWLOTQADSA-N 549.737 4.942 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 224338325 RYDHFPJTBPSLQH-DEOSSOPVSA-N 534.122 4.589 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 224342094 BHWNTRVDVUIZAS-SANMLTNESA-N 592.108 4.939 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 224784221 XIDVPOBCNFPWLE-QFIPXVFZSA-N 542.101 4.787 0 40 KJAB CCCc1ccc(OCCNC(=O)c2ccc(CN(c3cccc(C(C)=O)c3)S(C)(=O)=O)cc2)cc1 224853396 MAWVIPCHAFTYNT-UHFFFAOYSA-N 508.640 4.617 0 40 KJAB COc1cccc(CN(C(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 225132991 UPACTSKFLZLDHW-PMERELPUSA-N 579.763 4.715 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 225277388 ZDVNKSRJYHTTCG-HKBQPEDESA-N 591.774 4.859 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)ccc1OC 225301636 DJUWFZHUOJYKMQ-IZLXSDGUSA-N 527.650 4.951 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)C)c2ccc(C)cc2)cc1OC 225543112 BTIDTRSWIRGOAX-QFIPXVFZSA-N 602.153 4.803 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)c1 225559471 ZWWDGOSMFGQBIS-QFIPXVFZSA-N 572.127 4.794 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 225577904 HGBDNWTWNDJDGQ-YTTGMZPUSA-N 599.753 4.893 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)c1 225655118 RRDGKJLFGZOZNK-QFIPXVFZSA-N 602.153 4.803 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 225713569 RGFDZIHLFNYXOR-NRFANRHFSA-N 604.542 4.973 0 40 KJAB C[C@H]1Cc2ccccc2N1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl 225806842 GUCREDQKISSUIS-SFHVURJKSA-N 528.099 4.884 0 40 KJAB COc1ccc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N(C)Cc3ccccc3)C2)cc1F 257222589 DTXOYRXZYGGTBN-NVQXNPDNSA-N 508.565 4.932 0 40 KJAB COc1cccc(N(CC(=O)N2c3ccc(Br)cc3C[C@H]2C)S(=O)(=O)c2cc(C)ccc2OC)c1 260749102 SSYNVECYYUIATB-GOSISDBHSA-N 559.482 4.948 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)C2CCCCC2)cc1 260751896 WFRIUPXQMSXFOL-WJOKGBTCSA-N 605.757 4.562 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 260759379 FHTGXKPFJSTIDU-OAQYLSRUSA-N 557.663 4.801 0 40 KJAB CCOc1ccccc1N(Cc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2OC)cc1)S(C)(=O)=O 260763783 GDLYMBWLKPUZBN-LJQANCHMSA-N 512.628 4.560 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 260898794 DQLIRLGZECIIJA-PKTZIBPZSA-N 569.699 4.670 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 260940535 IQVOTRMWOMXTCW-VGSWGCGISA-N 572.953 4.591 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 260952020 FOXFNPHAOQUJKF-GDLZYMKVSA-N 565.711 4.599 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 260974695 NDTVVDAVEWCBFJ-DQEYMECFSA-N 535.710 4.565 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 261013379 TXEMFZXMHBMNNW-MUUNZHRXSA-N 600.181 4.978 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 261019454 VYPJVQZXSOAAQL-XMMPIXPASA-N 565.736 4.839 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 261032589 JPGQXKVLXJRKIF-HHHXNRCGSA-N 571.690 4.594 0 40 KJAB COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccc(OC)c(OC)c2)cc(C(F)(F)F)n1 408547221 VMZLTVAINWLDOA-UHFFFAOYSA-N 507.490 4.697 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2 408617282 FXFKSWZDECFNOK-UHFFFAOYSA-N 512.653 4.864 0 40 KJAB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@H]4[C@H](C)C=CC[C@H]4C3=O)cc2)cc1 408658611 VCKVBQGGPZSZQV-VGTADKHUSA-N 607.084 4.853 0 40 KJAB CCOc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](c5ccccc5)C[C@H]4C3=O)c2)cc1 408691440 ZWJODEZMJFQLKL-SACAOSOOSA-N 526.589 4.954 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408857158 LELSANFLTKYHPM-RIFKOAFWSA-N 642.730 4.902 0 40 KJAB CCOC(=O)COc1cc(Br)c(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1OCC 408929480 KAVYUKPIWDJIIT-GIJQJNRQSA-N 582.245 4.645 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 408989308 TWTLASHTBLIEOP-VYIWRZTMSA-N 510.615 4.625 0 40 KJAB CCCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC 409007945 SEAKWXVHAJITJL-WLGHQHAYSA-N 632.520 4.509 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cc(Br)cc(OC)c3O)c2=O)=N1 409031210 GVYJOHYPABKCEI-YLVTVWEBSA-N 621.937 4.717 0 40 KJAB 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224769812 MKCDEYZBUWENQY-GOSISDBHSA-N 574.065 4.991 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 224883672 CFTINEZMJODDPR-SANMLTNESA-N 576.546 4.924 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 225086231 PNOANHOPYWRKCG-MUUNZHRXSA-N 551.709 4.614 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 225135209 QTIVJJQALORJSI-SFHVURJKSA-N 570.539 4.634 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 225256510 BSCKHVLXPZITPF-MUUNZHRXSA-N 553.700 4.971 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)ccc1OC 225307976 GHACKEBSNUUESV-CLJLJLNGSA-N 505.644 4.769 0 40 KJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2c(C)[nH]c(C)c2I)cc1NC(C)=O 225312338 LDLWEJJJPRXZMI-YADHBBJMSA-N 561.449 4.775 0 40 KJAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)cc1 225402256 VPNBBZMULUTFDQ-DQEYMECFSA-N 503.653 4.729 0 40 KJAB 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CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 260951099 JYEAQBTYJXZOQQ-BWKNWUBXSA-N 533.710 4.711 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 261020783 IGGZMQJUNHJKIC-GDLZYMKVSA-N 563.764 4.933 0 40 KJAB CN(c1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 408618571 KDRQJHMNOAZYNF-UHFFFAOYSA-N 500.020 4.946 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 408786611 LJIWNUOGJUBAJA-YVVITCHPSA-N 610.448 4.679 0 40 KJAB CCOC(=O)Cn1c(C)c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c2ccccc21 408920159 HVWFJVYVPUAJDU-XNOUSZLFSA-N 623.706 4.901 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409002697 WGZMBRBBNUHBNV-ZSJKCPIUSA-N 637.508 4.836 0 40 KJAB CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n21 409018245 TZUXLZZWTLKOAH-ABBNRAPFSA-N 609.100 4.746 0 40 KJAB O=[N+]([O-])/C=C\c1cc(I)c(OCc2ccccc2)c(I)c1 409082352 SDHFSPCEXRYQDM-SREVYHEPSA-N 507.065 4.722 0 40 KJAB Cc1ccc(CN(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 409088847 KSEDMZNYLBDXQK-UHFFFAOYSA-N 521.864 4.918 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4OC(C)C)c(=O)n32)cc1 409089804 KIGAXVBYDAZUGZ-RYOBIWAXSA-N 539.657 4.670 0 40 KJAB CCOc1ccc(Cl)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)N(CC)CC)=C(C)N=2 409093752 AXYXPLQUMSADBG-NLZIUFDSSA-N 544.504 4.809 0 40 KJAB CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1c(OC)ccc3ccccc13)C(C(=O)N(CC)CC)=C(C)N=2 409095976 CAZZYIKWPQDBOF-HMXFMCBNSA-N 555.700 4.664 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 409107038 OKAOJKDVPJHIMH-YDZHTSKRSA-N 581.000 4.735 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c2ccc(F)cc2)cc1OC 409177863 IEOBUHSPVBHDEX-UHFFFAOYSA-N 613.689 4.786 0 40 KJAB COC(=O)COc1c(I)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc1OC 409266224 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COc1cc(OC)cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c1 901465 SPXBEBFGOHFDPN-HHHXNRCGSA-N 533.654 4.733 0 40 KJAB CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1 921218 KJJJDWUBXDATMP-GDLZYMKVSA-N 525.609 4.563 0 40 KJAB COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCN4S(=O)(=O)c3ccccc3)cs2)cc(OC)c1OC 1355796 PRESTXJWFXFXIK-UHFFFAOYSA-N 551.646 4.840 0 40 KJAB COc1cccc([C@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2)c1 1372599 PARJQQSAXXPJPU-SSEXGKCCSA-N 519.605 4.839 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 2082150 ZHSNFGNWQPWWHL-LWUPDDLQSA-N 535.021 4.720 0 40 KJAB O=C(COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Br)cc1)c1ccccc1 2937360 SBWRBWURFOJKDM-HSZRJFAPSA-N 505.368 4.698 0 40 KJAB biogenic O=C(COC(=O)C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)c1ccccc1 3244234 BFLYIANGBWRTGC-GDLZYMKVSA-N 568.651 4.778 0 40 KJAB O=C(Nc1ccc2c(c1)OCO2)[C@@H](c1cccc(F)c1)N(Cc1ccccc1F)C(=O)Cn1nnc2ccccc21 3772086 GBVFLGPPFVFTTH-GDLZYMKVSA-N 555.541 4.847 0 40 KJAB CC1(C)O[C@@H]2[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@@H](n3cnc4c(=O)[nH]cnc43)[C@@H]2O1 5917909 KCWRKFVKIDINBP-BQOYKFDPSA-N 550.615 4.546 0 40 KJAB COc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)cc1 6924822 PLYGGAVOIDGXFK-NDEPHWFRSA-N 539.588 4.642 0 40 KJAB COc1ccc(NC(=O)[C@@H]([C@H]2CC=CCC2)N(Cc2ccc(F)cc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 8712758 VUERZEGJNAPGOI-PZGXJGMVSA-N 555.606 4.756 0 40 KJAB COc1ccc(N(CCCC(=O)Nc2ccc(Br)c(Cl)c2)S(C)(=O)=O)cc1Cl 10338606 WENMAJQRYDSILS-UHFFFAOYSA-N 510.237 4.949 0 40 KJAB CC(C)CCNC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(F)(F)F)c1 13031356 NMJPPAPVSVAOTD-DEOSSOPVSA-N 513.520 4.980 0 40 KJAB Cc1cc(C(=O)COC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)c(C)n1CCC1=CCCCC1 14128771 DXBBJHJTQRFTLQ-UHFFFAOYSA-N 507.052 4.743 0 40 KJAB COc1ccc(NC(=O)CN2C(=O)C[C@H](c3ccc(OC)c(OC)c3)Sc3ccccc32)cc1OC 16959739 DUCSSBUNBCZOKZ-RUZDIDTESA-N 508.596 4.930 0 40 KJAB CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(OCC)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OC 17747831 YRKQSZPBURBSRY-QKDODKLFSA-N 502.567 4.934 0 40 KJAB COc1ccc([C@H](C)NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1OC 20042517 DTYMERLOLVTAGU-KRWDZBQOSA-N 503.020 4.814 0 40 KJAB Cc1cc(I)ccc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 60028336 SNFBANSPVXVQNW-UHFFFAOYSA-N 577.282 4.543 0 40 KJAB CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)Nc1ccccc1)=C(C)N=2 97950446 CUNIPVKYNGPSAV-FCYPAOMHSA-N 530.049 4.926 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 97968624 VRQZNFIWLWGVPJ-MFISQUFLSA-N 594.645 4.918 0 40 KJAB CN1CCN(C(=O)C[C@@H](c2cccc3cccnc23)c2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)CC1 97971937 WBOCVRCHAPVQAK-QHCPKHFHSA-N 535.600 4.715 0 40 KJAB biogenic COc1ccc(CCN(C(=O)Cn2nnc(-c3ccccc3F)n2)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1OC 100277181 BWRBMCYHWOMGMB-LJAQVGFWSA-N 606.724 4.819 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc(Cl)c(C(F)(F)F)c1 100293681 GQMOWTDNPPOUGD-WMDAJOEFSA-N 564.001 4.522 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1)N(C(=O)CNC(=O)c1cccs1)c1cc(OC)cc(OC)c1 100413989 VMRSOISECOLIRK-SANMLTNESA-N 553.681 4.583 0 40 KJAB CCOc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC(C)(C)C)c2cc(OC)c(OC)c(OC)c2)cc1 100415277 OYDQKAXKHIACQQ-SANMLTNESA-N 583.707 4.592 0 40 KJAB COc1cc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(SCc4ccccc4)nn32)cc(OC)c1OC 100821539 JENJBDHGOZQKTQ-XMMPIXPASA-N 544.637 4.919 0 40 KJAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N32)cc1Br 102451329 BCWAGZLJZMIMNZ-OAHAWELDSA-N 587.426 4.502 0 40 KJAB CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccccc3OC)C(=O)N12)C(=O)Nc1cccc(OC)c1 102745582 MQORJXKORTVVKC-VPUSJEBWSA-N 599.713 4.909 0 40 KJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)ccc2C)cc1 105830320 HRMBGRIHVJYNQL-UHFFFAOYSA-N 542.664 4.614 0 40 KJAB 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CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 260922106 GUCUOIFVGLNGRE-JPYJTQIMSA-N 542.529 4.790 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)c2ccc(Cl)cc2)cc1 260934173 XZBSAQKSVPQOAO-JOCHJYFZSA-N 572.127 4.733 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)Oc3ccc(C(C)(C)C)cc32)cc1 260939256 QYPOQXFBTQHEEY-NFQMXDRXSA-N 570.733 4.530 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)c1ccc2c(c1)OCCO2 260954250 UTKSYOPSEXIHAF-MUUNZHRXSA-N 672.642 4.789 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 261021062 VYWXZMKWCPIILO-OUTSHDOLSA-N 565.736 4.921 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 261044440 YZSMNAQRAPRARP-AVRDEDQJSA-N 542.529 4.790 0 40 KJAB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 408575690 PKHMWEVVPVHLCM-IADCTJSHSA-N 515.635 4.622 0 40 KJAB COc1ccc(CNC(=O)C(=O)Nn2c(C(=O)Nc3ccc(C)c(C)c3)cc3cc(Br)ccc32)cc1 408575771 FTWAJDKUWPHOQI-UHFFFAOYSA-N 549.425 4.668 0 40 KJAB C[C@@H](NC(=O)C(=O)Nn1c(C(=O)Nc2ccccc2F)cc2cc(Br)ccc21)c1ccccc1 408576790 MXUZEMHXGPGWGI-OAHLLOKOSA-N 523.362 4.743 0 40 KJAB O=C(CCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccc(F)cc1 408662465 ROJTUIFZMBJTPH-XWYWGPMTSA-N 509.364 4.748 0 40 KJAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 408682336 XKIXZRWPQUEXSL-UHFFFAOYSA-N 556.493 4.979 0 40 KJAB CCCC[C@H](C(=O)OCC(=O)Nc1ccc(C(C)=O)cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408682485 GOTHNPVUENQQFX-XCYXSWCQSA-N 564.638 4.822 0 40 KJAB C[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408682975 MCBPJHOMPNHARO-BLISBBOJSA-N 549.410 4.756 0 40 KJAB CCCC[C@H](C(=O)OCC(=O)Nc1cccc(OC)c1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408690566 VWVQEBBPFPYLRD-ZERTYBAUSA-N 552.627 4.628 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)ccc1OC 408727395 RUKHTUXUKWDUHS-OIUASMPBSA-N 593.705 4.819 0 40 KJAB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)c(OC)c(OC)c4)c(=O)n32)c1 408784225 USCMEWAXOLDEKL-RISWYLRJSA-N 576.074 4.553 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(I)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408862803 JIRGJQDOKNHTLU-OBXYEHHASA-N 641.325 4.882 0 40 KJAB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)ccc1OCc1ccc2c(c1)OCO2 408973076 RTJMCOLTKLZYJL-UDHMSBBDSA-N 702.782 4.539 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408982796 FILVTXYEVRNDAQ-LBLGWMPZSA-N 584.694 4.742 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OC)ccc4ccc(OC)cc34)c(=O)n2[C@H]1c1ccccc1Cl 409008679 ZVJDDTGVWAVOLX-GVMLUORFSA-N 549.048 4.622 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4nc(Cl)ncc4F)c3)c(=O)n2[C@H]1c1ccccc1Cl 409063818 NLTQJMYBIPTKDJ-AFHVAHMMSA-N 585.444 4.827 0 40 KJAB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C3/C(=O)N(Cc4ccccc4)c4ccccc43)c(=O)n21 409112207 BUQXNHHSRYNHBX-TXTDGAROSA-N 658.574 4.875 0 40 KJAB COc1cc(/C=C(\Sc2n[nH]c(C)n2)C(=O)O)cc(I)c1OCc1ccccc1 409190884 ALWVPCSUZYALLW-YVLHZVERSA-N 523.352 4.523 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1 409237911 XWJIKVIHTYHJGG-UHFFFAOYSA-N 504.096 4.541 0 40 KJAB COc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1I 409274159 NBMVADSTRBGVKZ-MFOYZWKCSA-N 513.740 4.872 0 40 KJAB CCCCNC(=O)c1ccccc1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 409309544 IVWQTMYVXXDPMP-UHFFFAOYSA-N 553.681 4.685 0 40 KJAB Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 409336679 VBOJGVAWFBXRHW-NRVHTZAHSA-N 513.933 4.899 0 40 KJAB COC(=O)C[C@H](c1ccc(F)cc1Cl)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O 524731309 SBJDCNGNCZPSNJ-WGDIFIGCSA-N 515.921 4.817 0 40 KJAB biogenic CC1(C)C(/C=C/C=C/C=C2\N(CCOCCOCCOCCN)c3ccccc3C2(C)C)=[N+](CCOCCOCCOCCN)c2ccccc21 585661302 DLQAKDWXVVYXDG-UHFFFAOYSA-N 705.961 4.874 0 40 KJAB CCC(=O)N1CCCN(C(C)C)CCCN(C(=O)c2ccc3c(c2)OCO3)Cc2cc(F)c(F)cc21 643550958 NBANHEPZIHQWND-UHFFFAOYSA-N 501.574 4.583 0 40 KJAB CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)c2ccc(-c3ccccc3F)o2)CCCCOC[C@@H](O)[C@H]1O 643551365 HAFPRPUWJOFEKN-FTAJYMOTSA-N 628.713 4.771 0 40 KJAB CC(=O)N1CC[C@H]2CC[C@@H](CN(C(=O)CCOc3cccc(F)c3)Cc3ccccc31)N2Cc1cccnc1 2037942964 SNLVDIFPYSCXPS-IZLXSDGUSA-N 530.644 4.808 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(CN2CCOCC2)o1 885666 JHRDPPOMYKXSNZ-NDEPHWFRSA-N 565.692 4.735 0 40 KJAB Cc1cccc(-n2c(SCC(=O)Nc3ccccc3C)nc3nc4c(cc3c2=O)COC(C)(C)C4)c1 1243838 QHGASWYGRMHWBW-UHFFFAOYSA-N 500.624 4.980 0 40 KJAB CC1(C)Oc2ccc(C(=O)N3CCc4ccccc4C3)cc2N(CC(=O)Nc2ccc(Cl)cc2)C1=O 1355423 PPATUGWVHFWWPB-UHFFFAOYSA-N 503.986 4.681 0 40 KJAB COc1ccc(NC(=O)[C@@H]([C@@H]2CC=CCC2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1 1418967 OHUBFXXLXWVZAE-KPURRNSFSA-N 527.600 4.971 0 40 KJAB O=C1c2c(Br)c(Br)c(Br)c(Br)c2C(=O)N1c1nccs1 1603877 NCLAJTQSCQGBDW-UHFFFAOYSA-N 545.832 4.994 0 40 KJAB CCCc1cc(=O)n2c(C(=O)Nc3cc(C)cc(C)c3)c(C(=O)Nc3ccc(C(=O)OC)cc3)sc2n1 1906928 MHPMOWWVOHSEJT-UHFFFAOYSA-N 518.595 4.617 0 40 KJAB COc1ccc(CN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@@H]3c3ccc(Br)cc3)C2=O)cc1 2117016 KKZGDUQXZSELNI-IGKIAQTJSA-N 530.422 4.824 0 40 KJAB biogenic CCOc1cc(C2C(C(=O)OC)=CN(Cc3ccc(Cl)cc3)C=C2C(=O)OC)cc(Br)c1O 2797539 BDCODUGZZABOBV-UHFFFAOYSA-N 536.806 4.920 0 40 KJAB CC(=O)Oc1ccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(c4ccc(OC(C)=O)cc4)C5=O)cc3C2=O)cc1 3142886 AYMOLKOAOLTBJS-UHFFFAOYSA-N 560.518 4.805 0 40 KJAB O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 3332026 RZGGWCWYXANXKV-UHFFFAOYSA-N 502.832 4.955 0 40 KJAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(F)cc1 3377492 LKZLSJJGFVTSGF-UHFFFAOYSA-N 591.690 4.859 0 40 KJAB CCOC(=O)c1sc(N[C@H](NC(=O)c2cccs2)C(=O)c2ccccc2)c(C(=O)OCC)c1C 8426553 FFXGEUKLYRCWTQ-FQEVSTJZSA-N 500.598 4.522 0 40 KJAB Cc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)o1 9428527 VAUIFLPJZPTNOE-IGSWSUAKSA-N 503.421 4.983 0 40 KJAB Cc1cc2nc(N(Cc3cccnc3)C(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)sc2cc1C 10187139 FZHINESSBRSPCU-HXUWFJFHSA-N 512.682 4.756 0 40 KJAB COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@@H]3C2=O)sc2c1CCCC2 12017260 GOSDQROTNDDOBF-HJOGWXRNSA-N 502.592 4.773 0 40 KJAB COc1cccc(CN(C)C(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)c1OC 12631047 WFLQHRAXSRCCND-UHFFFAOYSA-N 519.417 4.539 0 40 KJAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 13681415 LTYVVZQPXKDLGX-UHFFFAOYSA-N 527.668 4.613 0 40 KJAB CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 19856191 GUPLHOGUKBGZPY-UHFFFAOYSA-N 500.020 4.622 0 40 KJAB CCOC(=O)c1cc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1Cl 19933761 VDIOAYVVSOBJPK-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4cc(Cl)ccc4C)CC3)cc2c1 19972927 QMAYXJSLDOQNLQ-VWLOTQADSA-N 520.081 4.705 0 40 KJAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 36370275 YGOKCQWUEUNOHN-WZONZLPQSA-N 520.518 4.741 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2cc(Cl)cc(Cl)c2)cc1 59966776 FEPVWIGTIULHRQ-KRWDZBQOSA-N 555.505 4.778 0 40 KJAB O=C1c2ccccc2[C@@](O)(Cc2ccccc2)N1CCCCN1C(=O)c2ccccc2[C@]1(O)Cc1ccccc1 97995850 HOEINBXCJVUWMG-AQOUDTPCSA-N 532.640 4.854 0 40 KJAB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2)cc1Br 100360203 UVKKLXQVXJJGIN-UHFFFAOYSA-N 567.509 4.855 0 40 KJAB COc1cc(OC)cc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2cc(C)ccc2C)c1 100364989 XGFJJUOJPOBRGY-SSEXGKCCSA-N 541.652 4.899 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)cc4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 100764607 OFTVHLBVNSBDEU-XPCGLTFESA-N 522.985 4.851 0 40 KJAB O=C1[C@@H]2[C@H]3C[C@H]([C@H]2C(=O)N1c1ccc(F)cc1)[C@@H]1[C@@H](c2ccc(Cl)cc2)c2sc(=O)[nH]c2S[C@@H]31 100922459 OZJOQMZTERIILD-WWUUMWGSSA-N 513.015 4.907 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCCCc3ccccc3)n2Cc2ccccc2)c1 103104001 RLFQJRPNRDLGDQ-UHFFFAOYSA-N 577.776 4.865 0 40 KJAB Cc1cc(Br)c(Cl)cc1NC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@@H](c4ccccc4)[C@@H](C3)[C@@H]2C1=O 104254244 GHMLOAUJNIAWRA-PBXZLSKSSA-N 501.808 4.774 0 40 KJAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2cc(I)ccc2Cl)CC1 108053341 DKWXDJOUSIEXEE-UHFFFAOYSA-N 591.302 4.783 0 40 KJAB CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCC(C)C 108448126 PNMBODILJOTBEM-CHNYNYQGSA-N 567.727 4.852 0 40 KJAB biogenic COC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 150399833 ZDAZTOCQAWNOCZ-VSGBNLITSA-N 656.777 4.731 0 40 KJAB C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)c1ccc(Br)cc1 208300041 ARWVGZSAMPLEDX-IIBYNOLFSA-N 506.393 4.674 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 222543850 UAMDBWPSENGTEG-LJQANCHMSA-N 548.492 4.660 0 40 KJAB O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCCCNc1ccnc2cc(Cl)ccc12 222863606 QDCYJJOWTIUEJD-UHFFFAOYSA-N 551.112 4.960 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 223017987 SRKFVUUNZJERSJ-HNNXBMFYSA-N 548.920 4.599 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 223057561 XHVWFQZUUSNQQR-RUZDIDTESA-N 595.762 4.850 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 223259998 HRBXRAJIHQQFRE-QHCPKHFHSA-N 569.699 4.753 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223264692 BJDMLKMRFYRZNA-HSZRJFAPSA-N 569.699 4.504 0 40 KJAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)cc1 223439437 JXDQMIACMNZLNM-JWQCQUIFSA-N 529.574 4.919 0 40 KJAB 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CCOC(=O)COc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC 408807820 LDTDQSZHGFBYQO-KUAKTGBJSA-N 651.112 4.679 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3O)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408858603 ZKTSWNLFDQSVCI-IYMWYRQMSA-N 636.362 4.816 0 40 KJAB N=C1NC(=O)/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)S1 408892549 BXVVNAWFMPOZPQ-ZSOIEALJSA-N 562.170 4.613 0 40 KJAB Cc1cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)ccc1Cl 408990106 MNSXNPYWJDQHQZ-OAQYLSRUSA-N 554.837 4.781 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(C)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408990812 WOIKGDKIWKJEPH-CVMWMZFYSA-N 515.034 4.897 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409095251 AHYQDAQYLNUNKZ-OCEWKHMESA-N 576.074 4.715 0 40 KJAB CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC 409099138 QOTOIQUZSKNRMU-WLGHQHAYSA-N 618.981 4.927 0 40 KJAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OCc1ccccc1F 409100436 NHFANIJQLKGSQY-WSDLNYQXSA-N 615.399 4.858 0 40 KJAB Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)Nc4ccc(Br)cc4F)cc3)C2)cc1 409138242 ZSWUNQYLKJLAEY-IBGZPJMESA-N 554.416 4.583 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)S(=O)(=O)c1ccccc1 409139571 BDCCHZVJBNLCOP-UHFFFAOYSA-N 557.672 4.892 0 40 KJAB CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3c(C)cc(I)cc3C)n2CC)cc1 409165414 XZEQMULGFBTBIO-SFHVURJKSA-N 621.545 4.896 0 40 KJAB Cc1cccc(-c2nnc(SCC(=O)Nc3nc(-c4ccc(Br)cc4)cs3)n2N)c1 409165602 AFFCJTTXYRFLSE-UHFFFAOYSA-N 501.435 4.584 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1OCC(C)C 409206823 LTHQARREPGAJCF-UQQQWYQISA-N 523.655 4.505 0 40 KJAB COC(=O)COc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc1OC 409226124 OYOQQNGIQQYXGO-UFWORHAWSA-N 599.253 4.691 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc(I)c1O 409340171 RNTQXMLUZZERQW-VCHYOVAHSA-N 552.390 4.804 0 40 KJAB CCn1c(SCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 409355206 BYIULKZKSPUSKH-XMMPIXPASA-N 619.575 4.935 0 40 KJAB CCOc1c(I)cc(C(=O)Nc2cccc(I)c2)cc1OC 409367205 KEHYYANGWGRRCR-UHFFFAOYSA-N 523.108 4.555 0 40 KJAB CC[C@H](C)Oc1c(I)cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1OC 409381343 LPPJWLZAKONWGQ-HIXWQLQUSA-N 558.438 4.526 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)ccc3OC(=O)/C=C/c3ccccc3)C2=O)o1 409409364 ODXCVIKCECZBMS-LPFYXSTISA-N 551.349 4.540 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3nn(CCC)cc3Cl)CCO2)C1=O 643556716 PEBXGILWWXBDKI-NDEPHWFRSA-N 531.097 4.592 0 40 KJAB CO[C@@H]1CN(C(C)=O)C[C@H](C(C)C)[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(C(C)(C)C)cc2)CCCCOC[C@@H](O)[C@H]1O 643586842 FOZXMIUOONDSSS-YKNMHBIISA-N 614.799 4.975 0 40 KJAB C[C@H](CCC(=O)NCc1cc(F)cc(F)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 1889149507 MRZRZVJCNKELFF-SXHSJELJSA-N 533.700 4.959 0 40 KJAB COc1ccccc1CNC(=O)CC[C@@H](C)[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 1889175223 IOHJQHPEQWTSHU-JGZFAINBSA-N 527.746 4.689 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(C)o2)cc1 905947 YWFCFFGQFNOUIR-NDEPHWFRSA-N 515.614 4.560 0 40 KJAB c1ccc(CCn2nnnc2[C@@H](c2ccc3ncccc3c2)N2CCN(c3nc4ccccc4s3)CC2)cc1 1360933 GTXKWJXMMNGPRB-MUUNZHRXSA-N 532.677 4.985 0 40 KJAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]([C@@H]1CC=CCC1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 1418920 UJLJRUWKTHFKEX-ONOMSOESSA-N 541.583 4.692 0 40 KJAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)cc2)cc1 1785308 VOPLKOPWCUQMOL-INIZCTEOSA-N 507.612 4.783 0 40 KJAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C(=O)CN1C1CCN(Cc2ccccc2)CC1 2113159 PXNBSMOCEURPOE-IZEXYCQBSA-N 504.634 4.517 0 40 KJAB biogenic CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)COc1cccc2c1OC(C)(C)C2 3302269 GVWYLSHHXMOWNX-UHFFFAOYSA-N 515.609 4.928 0 40 KJAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2CCc2ccccc2)cc1 3347013 IZZOFAKLTRDMCO-UHFFFAOYSA-N 502.596 4.698 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)sc2c1CCCC2 6599692 WANBLLIZHMHEAS-UHFFFAOYSA-N 523.636 4.886 0 40 KJAB CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2Cl)C(=O)c2snc(C(N)=O)c2N)cc1 6601592 VOCAAMRTJKKLII-XMMPIXPASA-N 570.115 4.709 0 40 KJAB COc1ccc(N(C(=O)COc2ccccc2)[C@H]2[C@@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 8439675 AFVCASQPZNYTFH-LOYHVIPDSA-N 524.573 4.936 0 40 KJAB O=C(CSc1nnc(CNC(=O)c2c(F)cccc2Cl)n1-c1ccc(F)cc1)Nc1ccc(F)cc1 11852245 IEPXWQKXBSCPNR-UHFFFAOYSA-N 531.947 4.999 0 40 KJAB COc1ccc([C@H](C(=O)NC2CCCC2)N(CCc2ccc(OC)c(OC)c2)C(=O)c2ccco2)cc1 13026474 STRVFDPMASMDGL-HHHXNRCGSA-N 506.599 4.790 0 40 KJAB COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N(Cc1ccc(Cl)cc1)Cc1ccco1 19973114 MANOXEJDGALWPD-RUZDIDTESA-N 519.005 4.508 0 40 KJAB COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)ccc2s1 20020708 MSOKBSORYAKRDQ-UHFFFAOYSA-N 514.556 4.645 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccc(Cl)cc2)c2ccccc2)cc1 20239334 VNWJKCXIAUZLEW-UHFFFAOYSA-N 505.061 4.594 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(C)cc2)c2ccc(Cl)cc2)cc1OC 20460596 BYNOOSYSYRVQGS-UHFFFAOYSA-N 503.020 4.520 0 40 KJAB CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)S(C)(=O)=O 59885603 KBNRICNTJSEYAW-UHFFFAOYSA-N 556.493 4.761 0 40 KJAB COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2ccc(Cl)cc2)cc1 97952042 BFLPGVCLNQTRIH-QFIPXVFZSA-N 525.989 4.797 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(C)=O)cc4)o3)c(=O)n2[C@H]1c1ccccc1Cl 100217302 LPLHQCDJQZNCGG-RISWYLRJSA-N 547.032 4.914 0 40 KJAB Cc1ccccc1NC(=O)Cc1nc(CN(CCOCCO)Cc2csc(CC(=O)Nc3ccccc3C)n2)cs1 102830951 BLXUUJIXRXKXEH-UHFFFAOYSA-N 593.775 4.590 0 40 KJAB COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(NC(C)=O)cc3)ccc2C)cc1Cl 102975379 DMKHDIAQGNMQLT-INIZCTEOSA-N 590.054 4.609 0 40 KJAB CC[C@@H](NC(=O)COC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1)c1ccc(Br)cc1 103057872 LVMUVLNJSQMDGL-HSZRJFAPSA-N 580.545 4.504 0 40 KJAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 103059849 PMXRVTTYDWYOSF-ADLMAVQZSA-N 525.813 4.659 0 40 KJAB COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NCc3ccco3)cc1)oc1ccccc12 103102797 DTUZGLKKVGZXOC-KRWDZBQOSA-N 548.573 4.850 0 40 KJAB COc1ccc(OC)c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@@]3(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C3(Cl)Cl)c1 169301753 AOUJGQLGEAZILY-FVSZBFQWSA-N 524.011 4.805 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Br)cc2)C1=O)N1CCCC1 205911428 NCWANZALMMAMNI-DEDYPNTBSA-N 501.402 4.687 0 40 KJAB O=C1S/C(=C/c2cc(I)c(O)c(I)c2)C(=O)N1Cc1ccccc1F 214372145 DEFCOZHTGMUPIB-VGOFMYFVSA-N 581.144 4.977 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 222457231 GLJSZPJOUKVLTK-QFIPXVFZSA-N 542.101 4.624 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 222697500 OBQSIOCIJDFTJQ-OAQYLSRUSA-N 548.920 4.599 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 222765078 PSPXRNWHJLQXBD-HHHXNRCGSA-N 574.118 4.657 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](CC)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 222872917 VMKBRHKKVVQEQB-LJAQVGFWSA-N 565.736 4.785 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 222926431 GCPNJYZSAGFPHL-XMMPIXPASA-N 548.492 4.742 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 223064382 QTILVUSONMOSHQ-QHCPKHFHSA-N 565.736 4.785 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 223287126 MKCJGCYLAHCKSX-VWLOTQADSA-N 606.970 4.645 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 223311306 HYQKAGUZHBJFPS-HHHXNRCGSA-N 586.154 4.671 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCc1ccc2c(c1)OCO2 223542424 NPOZZXQXQXOJEU-DEOSSOPVSA-N 537.454 4.887 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223698683 MQYZJPRQSOBHTM-HHHXNRCGSA-N 613.752 4.803 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 223909012 QNHSBXGODUHVRT-JOCHJYFZSA-N 616.578 4.987 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 223961681 OYJVMXMZCBQNTI-OAHLLOKOSA-N 562.466 4.514 0 40 KJAB Fc1ccc(C2(CNC(=S)Nc3ncc(Br)cc3Br)CCOCC2)cc1 224024562 POCCXGYEHYIOAF-UHFFFAOYSA-N 503.235 4.781 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 224066747 MVCNEYWXGNPLJB-HNNXBMFYSA-N 566.017 4.596 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 224287934 RMOSUNOWFNDEAD-MHZLTWQESA-N 572.127 4.796 0 40 KJAB COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224757932 KEYLXMZOGMADRL-UHFFFAOYSA-N 507.381 4.815 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 224786351 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COc1ccccc1N(CCCC(=O)NCCSCc1c(Cl)cccc1Cl)S(C)(=O)=O 225682846 WJBZOJDIJPEAMK-UHFFFAOYSA-N 505.489 4.598 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NC(C)(C)C)c2ccccc2)cc1 260792216 NPOPBXPUCUOADR-HSZRJFAPSA-N 581.735 4.621 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](CC)C(=O)NC)S(=O)(=O)c1ccc(C)cc1 260858329 NRWMQXPEDOHVDX-AREMUKBSSA-N 556.128 4.960 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c2ccc(F)cc2)cc1 260861036 BJBALSITUPEBRU-PKTZIBPZSA-N 569.699 4.752 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)NCC(C)C)S(C)(=O)=O)cc1 260924097 VADXEVNZUZVSNS-HHHXNRCGSA-N 545.746 4.520 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 260949319 JPYSDTZOLCEQHW-XMMPIXPASA-N 565.736 4.921 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)N[C@H](C)CC)c2ccc(F)cc2)cc1 261016093 VGLAOMDTXJHQGU-FGZHOGPDSA-N 587.689 4.891 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 261097008 VDZSOKWBPRYDTG-MUUNZHRXSA-N 579.763 4.715 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC)S(C)(=O)=O 261113564 YGDWYDMFWOPDBQ-VAVYLYDRSA-N 579.763 4.715 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 261125908 ZXPLAHSPAAIEBN-RTWAWAEBSA-N 662.578 4.887 0 40 KJAB CC[C@@H](C)NC(=O)C(=O)Nn1c(C(=O)Nc2cccc(Cl)c2C)cc2cc(Br)ccc21 408580978 SDQPRXOHYBCLOV-GFCCVEGCSA-N 505.800 4.603 0 40 KJAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1Cl 408584569 RKSDORJFALRYCU-PMACEKPBSA-N 501.048 4.896 0 40 KJAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 408590660 KHFBMPZZKZBZDP-UHFFFAOYSA-N 506.672 4.656 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(Br)cc2F)S(=O)(=O)c2cc(C)ccc2OC)cc1 408591980 MTTLFMDUWOKFDL-UHFFFAOYSA-N 537.407 4.748 0 40 KJAB COc1cc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2Cl)c(OC)cc1Cl 408597542 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Cc1cccc(C)c1OCC(=O)NCc1nnc(SCC(=O)Nc2ccc(I)cc2C(C)C)n1C 409057025 GGIXORRGJMBJDJ-UHFFFAOYSA-N 607.518 4.586 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C)cc4)cc3)c(=O)n2[C@H]1c1ccccc1OC 409091099 TZBURQCXKQKIQR-GJKZIJEQSA-N 581.738 5.000 0 40 KJAB C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c2ccccc21 409127700 FPDXPBCZPNEZBR-YNJLWJOVSA-N 534.613 4.856 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409166284 CQKLFQCDVCXMOF-ZVHZXABRSA-N 549.580 4.835 0 40 KJAB CCn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1[C@H](C)NC(=O)c1ccccc1C 409363361 VQSGYTWSASMNPJ-ZDUSSCGKSA-N 538.418 4.869 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCc3nc(-c4ccccn4)no3)c(=O)cc1[C@@H](NC(C)=O)CC2 524730376 GYMILWZMSMANFF-SANMLTNESA-N 670.767 4.639 0 40 KJAB biogenic O=C1CN(C(=O)c2ccc(F)c(Cl)c2)CCCCNC(=O)c2cc(Cl)ccc2OC[C@H](Cc2ccccc2)N1 643559447 XJJZMEKXFMAJPK-QFIPXVFZSA-N 572.464 4.905 0 40 KJAB COc1cc(CNC(=O)c2ccc3c(c2)Cc2cccc(c2)CN(Cc2ccccn2)CCOCCO3)cc2c1OCO2 2037949557 DUZJCUUVQYVUPI-UHFFFAOYSA-N 581.669 4.751 0 40 KJAB COc1cc2cc(CN(Cc3ccco3)S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[nH]c2cc1OC 918748 LMUNBHPCIBOFLL-UHFFFAOYSA-N 522.501 4.548 0 40 KJAB COc1cccc(-n2c(SCc3nc4sc5c(c4c(=O)[nH]3)CCCC5)nc3ccccc3c2=O)c1 3301583 ZJGRMVSYRZKHEA-UHFFFAOYSA-N 502.621 4.863 0 40 KJAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCCCCNC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C 4804398 GFANDROCUWMWBP-NSOVKSMOSA-N 582.742 4.681 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3cc(C)ccc3C)[C@@H](C(=O)NCc3ccccc3)c3ccncc3)n2)cc1 6279866 FYQOCILFEJCPQU-SSEXGKCCSA-N 545.647 4.751 0 40 KJAB CCOC(=O)CCNC(=O)Nc1ccc2nc(Cc3ccccc3)n(Cc3cccc(Cl)c3)c(=O)c2c1 6546112 HYSVNZNHDLBPSF-UHFFFAOYSA-N 519.001 4.764 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@H]1c1ccc(OC)cc1 8399739 PMXWILRXOXRDEL-ATOQVSERSA-N 581.513 4.768 0 40 KJAB COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccncc5)nc4c32)cc1OC 9209847 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CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 224157928 LTFPFBRGIFCLRG-MUUNZHRXSA-N 535.710 4.696 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224642227 IKVABIKTVDBHSP-JOCHJYFZSA-N 572.127 4.796 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 224769110 BFGBCOMXCRFGBR-GOSISDBHSA-N 584.964 4.735 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 224832659 LLEMKLTXINOCED-QFIPXVFZSA-N 572.127 4.629 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cc(OC)cc(OC)c1 224835921 PIPMFOLHCKZBET-HSZRJFAPSA-N 511.446 4.969 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224942456 NMEPXHFIEZALGZ-KRWDZBQOSA-N 546.492 4.622 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 225125718 FALYBQUOHLKTQF-NDEPHWFRSA-N 557.757 4.806 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 225143425 IWWILQAQSFCEPC-XMMPIXPASA-N 645.991 4.967 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 225151636 MBECLNYENXFLEJ-VWLOTQADSA-N 534.122 4.525 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 225224141 DMOLLDZCGUSECT-FCHUYYIVSA-N 555.672 4.716 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)O)o2)ccc1OC 225306121 KJRFHGUKWGTZHR-RRPNLBNLSA-N 558.616 4.810 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 225351602 RAMBEVFNDKRPSF-LOSJGSFVSA-N 565.736 4.839 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC)S(=O)(=O)c2ccc(SC)cc2)cc1 225454565 NPUDPOPKNYHMID-FQEVSTJZSA-N 634.618 4.928 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 225637118 XQDFWOWOAFWDKI-AUSIDOKSSA-N 540.101 4.747 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225691603 KHGVLTRMBSQADZ-OPAMFIHVSA-N 562.947 4.989 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2c3ccc(Br)cc3C[C@@H]2C)C2CCCCC2)cc1OC 226013041 YDTVCYWPZQVMRW-KRWDZBQOSA-N 551.503 4.768 0 40 KJAB CNc1nc(-c2ccc(OC)c(NC(=O)COc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)c2)cs1 226087583 CIFJSVODHAIBRG-UHFFFAOYSA-N 550.662 4.629 0 40 KJAB CCOc1ccc2nc(O)c([C@H](c3nnnn3C3CCCC3)N(Cc3ccco3)C[C@H]3CCCO3)cc2c1 253499124 PFQZHWQPSMXBJU-ZEQKJWHPSA-N 518.618 4.804 0 40 KJAB Cc1cc(OCC2(CC(=O)N3CCN(C)CC3)CCN(C(=O)c3ccccc3Cl)CC2)ccc1Cl 257248877 JFQLRMOJMGGERO-UHFFFAOYSA-N 518.485 4.767 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)c2ccccc2)cc1 260929226 VXBVGXBCKNUUAM-RUZDIDTESA-N 565.736 4.779 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 260955254 KIVZPXQEHUQEAA-MOPGFXCFSA-N 542.529 4.708 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 261012703 GZTUKTKUUXGJRD-YADHBBJMSA-N 602.153 4.885 0 40 KJAB 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COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccc(Cl)cc1 20009991 SNBKNCLVOCIKAG-IIBYNOLFSA-N 507.439 4.769 0 40 KJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)ccc2Cl)cc1 60028534 LCDXNCHLTJEKDU-UHFFFAOYSA-N 557.053 4.897 0 40 KJAB CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@]2(C)C(=O)[C@@H](O)[C@H]2[C@H](C)C(=O)C=C[C@@]23C)/C1=C(/CCC=C(C)C)C(=O)O 67903219 ZGQQEJUGWPCCHA-IDDAUYTMSA-N 526.670 4.829 0 40 KJAB biogenic,in-vitro CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)c2ccccc2)CC1 70687073 CQHMASGURXLUGM-MHZHKKNFSA-N 592.781 4.769 0 40 KJAB biogenic CSCC[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)NCCC1=CCCCC1 70705138 NKLVWGGNNGESFC-YCVJPRETSA-N 556.732 4.882 0 40 KJAB biogenic C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O 79221512 IDSULYHNJGZXKY-QWBBBALCSA-N 706.877 4.631 0 40 KJAB biogenic CCSc1nnc(NC(=O)CSc2nnc(NC(=O)c3cc(Br)ccc3Cl)s2)s1 97961450 AFHLRCPSTJSPSL-UHFFFAOYSA-N 551.926 4.901 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c(C)c1 100083340 XAMOCFNHZNBGMX-UHFFFAOYSA-N 547.029 4.676 0 40 KJAB COc1cc([C@@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccc(Cl)cc2)c(OC)c2c1OCO2 100256074 ZUQMTUJYBATFSI-DVECYGJZSA-N 521.909 4.724 0 40 KJAB NC(=O)c1nsc(C(=O)N(c2ccc(C3CCCCC3)cc2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1N 100275813 JAUFSRZOUFYZCC-GBXCKJPGSA-N 567.737 4.617 0 40 KJAB CCOC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)CC)c2cccs2)cc1 100367849 VHQJHZOOSRBDAH-VWLOTQADSA-N 533.654 4.749 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C[C@H]([C@H]5Sc6[nH]c(=O)sc6[C@H](c6ccccc6C)[C@H]45)[C@@H]3C2=O)cc1 101175790 ZUAAIGRCZVCGJD-RJJCNJEVSA-N 546.670 4.599 0 40 KJAB Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5ccc(Br)cc5)CC4)cc3)o2)cc1 101404677 UQYCLEMRIQFGSK-UHFFFAOYSA-N 567.465 4.621 0 40 KJAB COc1ccc(CCn2c(SCC(=O)N3CCOc4ccc(C)cc43)nc3ccsc3c2=O)cc1OC 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CCCSc1nnc(NC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)s1 223446633 ZUGSCNLALHHLJV-UHFFFAOYSA-N 509.506 4.528 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 223640791 RFQSIPMVKWVPJG-SANMLTNESA-N 529.747 4.882 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 223871128 IWFLGBUSENKPJF-DEOSSOPVSA-N 512.672 4.755 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 223892184 MQZYHOMFJCCBQX-QFIPXVFZSA-N 586.552 4.896 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 223893130 XRBKTERJBGGRQJ-QFIPXVFZSA-N 562.947 4.991 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 223968164 AXUQTOUOSSBVBV-NDEPHWFRSA-N 611.761 4.631 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 224257547 FRHDFFUEACRIAQ-MUUNZHRXSA-N 570.155 4.889 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCc1ccc(OC)c(OC)c1 224322160 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O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1 408660789 WWPRVGUHYZLYBK-LKSLQULUSA-N 557.002 4.830 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC 408991437 XISPOFUWGDIVMJ-RYBDNCPYSA-N 737.625 4.666 0 40 KJAB CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)cc(I)c1OCc1ccccc1Cl 409005539 FQKWUIQQHASOKU-YVLHZVERSA-N 542.826 5.000 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2[C@H]1c1cccc2ccccc12 409030531 DTCFHVFEWDQQHV-NLZIUFDSSA-N 533.447 4.714 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(CC)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409030556 DUWYPQZNDKYRBF-HRIDGTDGSA-N 573.715 4.877 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cc4c(cc3Cl)OCO4)c2=O)=N1 409034667 QOQVXVCUUXEBKT-OINADKTASA-N 619.921 4.732 0 40 KJAB Cn1c(O)c(C(c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S 409104691 DZIVOLMXHTYFIL-UHFFFAOYSA-N 607.541 4.697 0 40 KJAB 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COc1ccc(CN2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)cc1OCCn1cc(C)cn1 585271176 KXESNZRXUOGMRF-UHFFFAOYSA-N 514.066 4.955 0 40 KJAB CS(=O)(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)Cc2c(F)cccc2Cl)Cc2ccccc21 643553773 FTGHUWMJIOHJFO-UHFFFAOYSA-N 544.092 4.722 0 40 KJAB COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)cc1OC 906123 BKZHNCCQSBIJST-WJOKGBTCSA-N 569.662 4.875 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 1326054 BRZRFMPMRQAQFM-VWLOTQADSA-N 514.630 4.620 0 40 KJAB COc1cc(Cn2c(N)c(C(=O)NCCC3=CCCCC3)c3nc4ccccc4nc32)cc(OC)c1OC 2359448 OVQRMKGUISRDHJ-UHFFFAOYSA-N 515.614 4.861 0 40 KJAB CCOC(=O)c1sc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)c(C(N)=O)c1C 2806211 NAZADCHFSVMPRK-UHFFFAOYSA-N 530.575 4.600 0 40 KJAB Cc1c(NS(=O)(=O)c2cc(C(=O)NCc3cccc(Cl)c3)ccc2Cl)c(=O)n(-c2ccccc2)n1C 3216433 UEDYARZSKPQSQV-UHFFFAOYSA-N 545.448 4.522 0 40 KJAB COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 3297392 AJEAOXHBHACKMR-LSDHHAIUSA-N 529.663 4.919 0 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CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 223558674 PENNWNREBHVQSF-JOCHJYFZSA-N 542.101 4.706 0 40 KJAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2F)o1 223669945 OGJFDJOGSRNKCZ-RTWAWAEBSA-N 504.381 4.779 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223950971 XGNMLFWQNTUEBX-LJAQVGFWSA-N 581.735 4.623 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223962906 VFRIYATZBCZHTE-GOSISDBHSA-N 598.549 4.744 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 224011369 HTEKFFGCUSXAPX-MUUNZHRXSA-N 611.761 4.631 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 224044142 UULQYQQHYBRDLF-MHZLTWQESA-N 647.579 4.532 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1cc(OC)cc(OC)c1 224142916 INJLWNAMSVPCNO-MUUNZHRXSA-N 504.627 4.557 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)c2ccc(F)cc2)cc1 224152083 LMTZUAUOKQXHBY-DEOSSOPVSA-N 553.700 4.827 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 224194289 JPIDDFDPCNNGLW-AREMUKBSSA-N 549.684 4.686 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224289008 ITWOFUMCFOVCQZ-MHZLTWQESA-N 632.179 4.895 0 40 KJAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2c(C)[nH]c(C)c2I)c1 224521144 WUOBMJCTWSZJHJ-PMACEKPBSA-N 504.397 4.817 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224617351 ACVGDECZZBOTKX-XMMPIXPASA-N 554.540 4.668 0 40 KJAB C[C@H](C(=O)NCc1cccc(CN2CCCCC2)c1)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 224689979 YEAOCPRCZLDNQS-QGZVFWFLSA-N 532.028 4.816 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 224725086 ASEYUWXCBWFOSN-INIZCTEOSA-N 548.920 4.665 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224737052 PWMCGXHWCGIKPF-FQEVSTJZSA-N 541.636 4.504 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 224919671 BRXFXOHXLUHQBQ-INIZCTEOSA-N 576.493 4.904 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224946278 PVTVQNHBCWJLTN-HHHXNRCGSA-N 553.700 4.643 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 225022705 VXUWSDCLMXRRBY-QHCPKHFHSA-N 613.802 4.955 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 225068841 MFPKVBLNOGGQCJ-DNQXCXABSA-N 553.700 4.970 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 225114069 JYCALTUCZWQXJK-VWLOTQADSA-N 625.573 4.622 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 225376385 WRPYTZFYQGVMIS-MUUNZHRXSA-N 565.736 4.841 0 40 KJAB CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(CCCN2CCOCC2)c1C 225546638 LLWMIBSQYSGCOD-IOWSJCHKSA-N 574.795 4.786 0 40 KJAB Cc1c(Cl)cccc1S(=O)(=O)NC(=O)c1ccc(C[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)cc1 257220089 DJLZICWHQFKYAX-QHCPKHFHSA-N 557.068 4.595 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)cc1 260748737 CCBUWGJBRAFWQD-HSZRJFAPSA-N 551.684 4.806 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCCNc2ccnc3cc(Cl)ccc23)C1 260753519 ZHFSGQBUMHJDKG-KRWDZBQOSA-N 551.496 4.569 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 260871516 BBIZCCDXTUWKBW-DFHRPNOPSA-N 627.735 4.523 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 260887582 COAXHNLAYGCQAR-MSOLQXFVSA-N 572.953 4.509 0 40 KJAB COc1ccccc1N(CCCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 260939551 OESQESBUMBMACU-SSEXGKCCSA-N 593.790 4.962 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 260972031 MRLKGDRCSTZXGS-RPBOFIJWSA-N 595.762 4.848 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 260991690 CQAJRAKKMYBQMQ-QCDSWUKFSA-N 579.763 4.796 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 261003259 FNBNOGPQPYTWEZ-HLADLETHSA-N 597.753 4.935 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 261043064 KWCXZTVSVVANFC-VXKWHMMOSA-N 602.153 4.885 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 261058029 NFHHZDGYWFGMPL-RNAHPLFWSA-N 563.764 4.933 0 40 KJAB CC[C@@H](C)NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)c(C)c2)cc2cc(Cl)ccc21 408574120 CHQDOEQOTLYNOL-CYBMUJFWSA-N 505.800 4.603 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 408597047 VXUHAUHZSORWHW-VMPITWQZSA-N 559.610 4.743 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c2ccc(C)cc2)cc1Br 408608640 OJCBIJCUSWCHMC-RMKNXTFCSA-N 598.563 4.819 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)c2cc(C)cc(C)c2)cc1OC 408629444 BJMUAIVBVBRJAN-UHFFFAOYSA-N 553.681 4.683 0 40 KJAB COc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2OC)cc1Cl 408635502 CLAWNAHFDJDPKT-UHFFFAOYSA-N 509.411 4.840 0 40 KJAB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)cc1 408646331 ISZVPGQUHVQBCS-MPPVQRIUSA-N 607.084 4.687 0 40 KJAB Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 408655871 SACORPQYBSIQHC-WLGONLEPSA-N 569.013 4.915 0 40 KJAB CC(C)OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 408660662 BSBKAYXPMUOXKS-UHFFFAOYSA-N 514.884 4.825 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)C)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408832166 RLKUMOCKGLMKAK-IGSWSUAKSA-N 585.520 4.665 0 40 KJAB COC(=O)C(=Cc1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)OC 409045141 FHEJHHIEFMSSEY-UHFFFAOYSA-N 502.130 4.659 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(I)c3O)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409106515 NTUGQPJMHWECMZ-ZNQKWNQWSA-N 642.346 4.721 0 40 KJAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(O)c(Br)c3Br)C2=O)cc1 409237294 HUBQABYPKFUFRY-RIYZIHGNSA-N 572.231 4.609 0 40 KJAB COc1cc(CN2CCC(O)(COc3cc(C)ccc3Cl)CC2)ccc1OCCn1cc(C)cn1 585270459 DJIYELFVVHERDE-UHFFFAOYSA-N 500.039 4.647 0 40 KJAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(N2CCC(Oc3ncc(C(F)(F)F)cc3Cl)CC2)CC1 618256357 IAFSDFSVRKFCMM-UHFFFAOYSA-N 564.074 4.845 0 40 KJAB CN1CCCCN(C(=O)CCc2ccnn2C)CCCCOc2ccc(Cl)cc2C(=O)N(C)[C@@H](Cc2ccccc2)C1=O 643559465 YIGGGZAVYUTEEH-LJAQVGFWSA-N 608.183 4.629 0 40 KJAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2)Cc2cccc(c2)CN(CC2CC2)CCCCCO3)cc1 643580808 VNRNHSSBKUCZOL-UHFFFAOYSA-N 561.748 4.672 0 40 KJAB COc1ccc(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 1096362 MSPXCXKGNGRPIZ-UHFFFAOYSA-N 553.862 4.949 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Oc2cc(C)cc3oc(=O)c4c(c23)CCCC4)cc1 2094600 QGYLMWCPPLCOIW-VWLOTQADSA-N 531.630 4.784 0 40 KJAB biogenic CCC(=Cc1sc2ccccc2[n+]1CCCS(=O)(=O)O)/C=C1/Sc2ccccc2N1CCCS(=O)(=O)O 2512406 VVGKNWWJZBKMTM-UHFFFAOYSA-O 581.783 4.992 0 40 KJAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)C(=O)Nc1ncc(Cl)cc1Cl 3310711 JZCOTEKIFJLQJV-CQSZACIVSA-N 514.431 4.526 0 40 KJAB CCOC(=O)c1cc(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)cc(C(=O)OCC)c1 3338731 UDLUNLWQCWSRLP-UHFFFAOYSA-N 503.627 4.747 0 40 KJAB Cc1cc(C)nc(SC2=C(Nc3ccc(Br)cc3)C(=O)N(CCc3ccccc3)C2=O)n1 6144222 IBXPVPKHLSEUFD-UHFFFAOYSA-N 509.429 4.883 0 40 KJAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 8576264 QTHBWQPGSBGSAK-UHFFFAOYSA-N 558.613 4.593 0 40 KJAB CCOC(=O)c1ccccc1NC(=O)c1sc(NC(=O)COc2ccccc2C)c(C(=O)OCC)c1C 8861618 WNLXXEZVVBVUHO-UHFFFAOYSA-N 524.595 4.988 0 40 KJAB COC(=O)c1ccccc1NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 10337590 GFMHQAXUFCMODB-UHFFFAOYSA-N 507.395 4.999 0 40 KJAB CCCCOc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccc(F)cc2)cc1 11852274 KEMJVLWOKMRLHP-UHFFFAOYSA-N 540.646 4.703 0 40 KJAB COc1ccc(CNC(=O)CC[C@]23CC[C@](C)(O)C[C@H]2C(C)(C)C[C@@H]3NC(=O)Cc2cccs2)cc1 12531586 POLICIHTJCIVQV-HWJGEBQJSA-N 512.716 4.848 0 40 KJAB biogenic,in-vitro Cc1ccc(NC(=O)COC(=O)c2ccccc2OCc2ccccc2)cc1S(=O)(=O)N1CCCCC1 12563945 KMRWWDITQZUWOH-UHFFFAOYSA-N 522.623 4.544 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC3CCCCC3)c3ccc(C)cc3)n2)cc1 12705263 PDWIONCXBWQBKG-NDEPHWFRSA-N 526.641 4.769 0 40 KJAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NC[C@H](C)c2ccccc2)C(=O)[C@]31C 12863370 RZAAJOYUVVTPMO-RQZFFVEVSA-N 522.605 4.950 0 40 KJAB biogenic CCC(C)(C)NC(=O)[C@H](c1ccc(C)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(C)=O)cc1 13024774 KQUNJIVOLLCPMP-NDEPHWFRSA-N 526.641 4.777 0 40 KJAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2c(S(=O)(=O)NC(C)(C)C)cccc12 16574996 RQXXVXAFORFAHI-DEOSSOPVSA-N 511.644 4.806 0 40 KJAB 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260733889 KZHQXWOBGVCIAV-XMMPIXPASA-N 597.803 4.987 0 40 KJAB CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 260771478 WJPMSZVSXYBMON-RUZDIDTESA-N 565.736 4.573 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)Oc3cc(C)ccc32)cc1 260790545 CZAWAFUJEGMFEZ-HSZRJFAPSA-N 504.530 4.595 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1 260801945 QUNCZQNWNHVIKC-GOSISDBHSA-N 574.065 4.909 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)cc1 260809503 RXCXIQQBTMKUDP-GOSISDBHSA-N 570.539 4.634 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260820107 VUTHDBITAWARTF-XMMPIXPASA-N 557.757 4.806 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC(C)C)c2ccc(C)cc2)cc1 260842224 BKSIEMLAYHLSBF-JOCHJYFZSA-N 616.578 4.903 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc(F)c1 260877639 BLRHWUCLGMAKOT-GDLZYMKVSA-N 583.701 4.820 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 260877943 HMBIEJNYMGGTGT-DQEYMECFSA-N 535.710 4.831 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 261043016 KUIJPJJCTPGQGH-HLADLETHSA-N 597.753 4.935 0 40 KJAB CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NCc3ccco3)CC2=O)cc1 408582573 XCLIUBOEMBAFMU-LJQANCHMSA-N 554.441 4.600 0 40 KJAB C[C@@H](CCc1ccccc1)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 408614043 XQFGSVAZNCJLKC-FQEVSTJZSA-N 515.473 4.778 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2cccc(NC(C)=O)c2)S(=O)(=O)c2ccc(SC)cc2)cc1 408618515 JVOMHOQNSCBBPB-UHFFFAOYSA-N 513.641 4.600 0 40 KJAB COC(=O)c1cc(NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc(C(=O)OC)c1 408621306 RBBDGDMDDNBYTR-UHFFFAOYSA-N 588.638 4.916 0 40 KJAB C[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408647956 BZTXEGYNCPZIQM-MWWUWEJHSA-N 509.364 4.746 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1C(=O)N1CCCC1 408693074 FSWPBXBDVYNLHX-UHFFFAOYSA-N 584.503 4.840 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408701727 DSGCRZPCUIXOFO-UHFFFAOYSA-N 505.640 4.598 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408734565 IAOWOVUFHWEYOS-YNMQQHPQSA-N 602.665 4.554 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cccs2)n2c(s/c(=C\c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)c2=O)=N1 408844066 UWSHEYXIROGTFD-ASZNLBCTSA-N 618.733 4.926 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)c2=O)=N1 408867469 LAONGGMPOFLJEE-SXDQJOKOSA-N 672.756 4.912 0 40 KJAB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(I)c1OCc1cccc(C)c1 408903730 XTOHIDBJMDEHAS-XKZIYDEJSA-N 554.409 4.958 0 40 KJAB CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)c2ccccc21 408924858 RLYWRFORJROYKW-RISWYLRJSA-N 531.703 4.883 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)OC)ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408999125 KJHXPCQFRLDHOM-ZGOFBEGVSA-N 607.084 4.897 0 40 KJAB COc1ccc(CCNC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 409006189 YRDYAJOYXJKVMT-UHFFFAOYSA-N 551.492 4.869 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 409021452 IOWSZZFLGMFZLT-QUNTYYFUSA-N 770.598 4.706 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)O)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409094730 FUKGNUPZKWXRFN-OCEWKHMESA-N 576.074 4.715 0 40 KJAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccccc1 409109046 XBDBUMBIZXRPDS-LPYMAVHISA-N 505.958 4.767 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c2=O)=N1 409113208 AAEZXRZOWAFJBR-JRXCRPKVSA-N 588.085 4.716 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc(COc3ccccc3Cl)n2C)sc(C(C)=O)c1C 409163436 RMIYGHHBJYWKPJ-UHFFFAOYSA-N 523.036 4.528 0 40 KJAB O=C(CN1C(=O)N/C(=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)C1=O)Nc1ccc(Br)cc1 409374835 AIHNGRODWBOZCU-MTJSOVHGSA-N 601.816 4.791 0 40 KJAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OCc1ccc(Cl)cc1 409398858 FBNPDMKTNXYQLO-NDENLUEZSA-N 510.930 4.790 0 40 KJAB Cc1cccc(C(=O)N2CCC[C@@](COc3cc(C)c(Cl)c(C)c3)(CC(=O)N3CCC(O)CC3)C2)c1 585288155 YBQZCJJCQZPRNF-GDLZYMKVSA-N 513.078 4.940 0 40 KJAB CC(C)CN1CCCN(C(=O)CC[C@@H]2CCCO2)Cc2cc(F)ccc2N(C(=O)c2cccnc2)CCC1 643573150 TZSRCUYNJMFKFT-MHZLTWQESA-N 524.681 4.907 0 40 KJAB COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)cc2)cc1 931961 XRBNEYBEEGDZIZ-SSEXGKCCSA-N 535.604 4.539 0 40 KJAB O=C(Nc1ccc(I)cc1)c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1 960035 BHQUMSZSISKJEY-UHFFFAOYSA-N 557.775 4.975 0 40 KJAB CSCC[C@H](C(=O)O)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 2171409 MODAKIKOZDYIGO-SCSAIBSYSA-N 594.901 4.539 0 40 KJAB CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)sc(C)c1-c1ccc(C)cc1 2644031 IDRNFTZNNUXZAW-NDEPHWFRSA-N 517.607 4.541 0 40 KJAB COC(=O)c1ccc(NC(=S)N[C@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 3304852 ZDDXJSKUVGCPMT-INIZCTEOSA-N 539.666 4.648 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2cccc(C(C)=O)c2)cc1OC 6074215 CGCKQSQHKOXFBL-HKBQPEDESA-N 569.662 4.875 0 40 KJAB COC(=O)c1c(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@H](c4ccccc4)[C@H]3C2=O)sc2c1CCCC2 8741712 SZKOLGDUOUMZTP-WXFUMESZSA-N 502.592 4.773 0 40 KJAB COc1ccc(N(C(=O)/C=C/C(=O)Nc2cc(C)on2)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)cc1 13123775 CWRNZYKQCZCAHL-JPGMGBJISA-N 516.598 4.628 0 40 KJAB C[C@@H](c1nc(N2CCCCC2)c2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 22053313 HSCPJXSQORTPIF-QFIPXVFZSA-N 521.731 4.985 0 40 KJAB CCOC(=O)c1ccc(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 22232238 GXYVUJCOQDRQTE-UHFFFAOYSA-N 517.003 4.500 0 40 KJAB C[C@@H](C(=O)NCc1ccc(CN2CCCC2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 44857342 QTHGLWVFCTWDMM-QFIPXVFZSA-N 507.656 4.546 0 40 KJAB Cc1c(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c(=O)n(-c2ccccc2)n1C 59211896 AINLYUGVZWICSD-JZLQPTSESA-N 619.313 4.894 0 40 KJAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)c(F)c1F 59331681 SEHVTQMGIGURAL-QMMMGPOBSA-N 517.570 4.690 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(SC)cc1 59652705 YVUKWAMEDBBKPJ-NRFANRHFSA-N 583.732 4.550 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N[C@H](C)c1ccc(Br)cc1)Cc1ccccc1 59836299 KMWOZXGWRRHFGJ-LJQANCHMSA-N 531.472 4.834 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)cc3OC)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 59886977 FWHDUBUAKQLLQJ-UHFFFAOYSA-N 625.725 4.656 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)c(Cl)c2)cc1 59924156 ANWHQPBGKSOHME-UHFFFAOYSA-N 557.053 4.897 0 40 KJAB COc1ccc(CCNC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@H]4[C@H](C[C@H](O)[C@@]32C)[C@@]2(C)CC[C@@H](O)C[C@H]2C[C@H]4O)cc1 72325159 QXPJYJGOBIJXGF-YQPDKUNUSA-N 541.773 4.732 0 40 KJAB biogenic O=C(NCc1ccc(F)cc1)c1cc(I)cc(I)c1I 96021976 GSXGFJGGBFCIMV-UHFFFAOYSA-N 606.942 4.570 0 40 KJAB COC(=O)c1ccc(/C=C/C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1 97980120 QVWSXBBKBXDKAH-CAOOACKPSA-N 549.649 4.925 0 40 KJAB CCOc1ccc(N2C(=O)[C@@H](C)S[C@]23C(=O)N(CN2CCN(c4ccc(F)cc4)CC2)c2ccccc23)cc1 98003522 YLEGDBTXHWJUPB-IIMAJNMQSA-N 546.668 4.672 0 40 KJAB COc1ccc(OC)c([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)CCC3)c1 100364122 GKCRQQUAWREVLQ-GDLZYMKVSA-N 541.652 4.626 0 40 KJAB CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccn3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N23)cc1 101590322 XJOPJYXYFWDENA-YQQRZDPSSA-N 555.590 4.863 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4ccc(OC)c(OC)c4)c(=O)n32)cc1 103865355 FSOPUQUASNUBCP-HRIDGTDGSA-N 569.683 4.517 0 40 KJAB Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c1C 108832788 TTXKWWVWYKZWTQ-FTJBHMTQSA-N 527.683 4.518 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCC)c(=O)n2[C@@H]1c1ccc(OC)cc1 163694048 DQYUMWORQUMSBL-ZRELAVNMSA-N 636.362 4.731 0 40 KJAB Cc1nccn1-c1ccc(CNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 216124219 ROXXSYPGJDFISO-UHFFFAOYSA-N 529.449 4.999 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 222517180 ZPEUSBOVCROIET-LJQANCHMSA-N 548.492 4.660 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 222644986 XKLXWUMDYXLRPJ-HXUWFJFHSA-N 562.519 4.969 0 40 KJAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1OC 222847187 FHYIWNISSGDMQQ-UYRXBGFRSA-N 524.986 4.556 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 223039523 KYJMQUJRTUZZJX-LJQANCHMSA-N 637.394 4.960 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 223058140 IRTOIIGNARLFCJ-XMMPIXPASA-N 553.700 4.971 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 223134090 ILILYLCFYNLWJP-XMMPIXPASA-N 566.482 4.881 0 40 KJAB Fc1cc(Br)ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)o1 223203059 UMGODAWQZRPDQW-ZEQRLZLVSA-N 545.478 4.938 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 223654782 CWKVGDMLXJFBBK-RUZDIDTESA-N 622.571 4.553 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 223665847 WOQNCZIWKGBSAU-FQEVSTJZSA-N 546.064 4.536 0 40 KJAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C)cc2Br)o1 223704372 NLGKHTOXPZHLHK-FCHUYYIVSA-N 500.418 4.948 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1OC 223964823 RSHNLNZNUBGMMQ-GJZUVCINSA-N 504.627 4.637 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224013022 GXNVMGJCHCYSEJ-MUUNZHRXSA-N 627.735 4.525 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224017598 FLMCZEWQQKLTRA-NDEPHWFRSA-N 553.700 4.538 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 224035764 NMHWRVAEODXHFI-HNNXBMFYSA-N 548.920 4.745 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 224084558 BEMWIYHZXMTXHE-LJAQVGFWSA-N 549.737 4.544 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224189500 QHKXOYMZPLBJBP-NDEPHWFRSA-N 567.727 4.927 0 40 KJAB Cc1cccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224252366 VDICARACKYGJFH-MHZLTWQESA-N 570.155 4.824 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 224283436 FFEAUYZEPZFLRK-OAQYLSRUSA-N 560.091 4.864 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 224300968 VCPYAKOUALWWTJ-QFIPXVFZSA-N 584.964 4.735 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 224319821 JNIBIQRIGHWROH-DEOSSOPVSA-N 564.148 4.761 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 224364348 WHARNBJIELREOG-RUZDIDTESA-N 590.117 4.935 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc4c5c(cccc35)CC4)Oc3cc(C)ccc32)cc1 224520679 WPRULHCVNCMCHV-MHZLTWQESA-N 514.603 4.850 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 224726050 QNDLEMFCLXLYNY-HSZRJFAPSA-N 569.699 4.672 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 224745580 ITEKAUKFQNTUPN-INIZCTEOSA-N 605.382 4.998 0 40 KJAB CCc1ccc(OCCNC(=O)CCCN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1 224796265 JMRMHJGOKPLOPV-UHFFFAOYSA-N 510.656 4.569 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 224918416 UGRGMFSCKWPKIP-LJAQVGFWSA-N 625.788 4.796 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224923882 LXVSTWBHTGWNHM-GDLZYMKVSA-N 625.788 4.796 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224935139 JJWUKZPMJLJIPQ-QHCPKHFHSA-N 581.710 4.896 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 225200566 RQEFWZZOACMKTK-VWLOTQADSA-N 552.112 4.810 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 225266164 PDWWWQBKJQALIH-MUUNZHRXSA-N 613.752 4.989 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccnc3)c2C)ccc1OC 225290101 RTKMJAWNTVCESD-NSOVKSMOSA-N 542.665 4.655 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccc2c(c1)OCCO2 225382493 URRWPWWPZDONIK-PMERELPUSA-N 637.774 4.842 0 40 KJAB CC(C)CSc1nnc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)s1 225440560 VIWGPMXJONGUFR-UHFFFAOYSA-N 515.057 4.913 0 40 KJAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)O)o2)ccc1NS(C)(=O)=O 225464661 HHTBNATWAFKJSH-RPBOFIJWSA-N 548.646 4.897 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 225485897 BTANIDLZTKTGPV-LJQANCHMSA-N 592.943 4.770 0 40 KJAB COc1ccccc1OC[C@H](C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1 225794452 WYAYCELETODYMU-INIZCTEOSA-N 519.044 4.519 0 40 KJAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 226082789 BFLHBNWNBIQJBN-LSDHHAIUSA-N 542.293 4.590 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC)S(=O)(=O)c2ccc(Br)cc2)cc1 260863111 VXZVACMOXWKUIP-LJQANCHMSA-N 622.969 4.860 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c2ccccc2)cc1 260882295 IUMTYAFQPISVFE-RPWUZVMVSA-N 551.709 4.613 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(OC)cc2)[C@H](CC)C(=O)NCC(C)C)c2ccccc2)cc1 260896317 MSQQTEFQSBVGJT-SSEXGKCCSA-N 595.762 4.869 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 260920200 GNLNOYVNTOTYOI-RPBOFIJWSA-N 565.736 4.839 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 260962490 YLIMPRBDHZIZIH-JOCHJYFZSA-N 616.578 4.843 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 260983277 BIMWECKUOBOQPQ-AMGIVPHBSA-N 658.615 4.889 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 261011248 UJTCIXSOAOCUIK-CTNGQTDRSA-N 552.137 4.535 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 261049414 ZUEBPLMDADCANE-JPYJTQIMSA-N 542.529 4.790 0 40 KJAB CSc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 408595463 QIWJFDZKBBULJW-FQEVSTJZSA-N 505.459 4.699 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)sc2c1CCC2 408616014 FAEWRLWNBLDXLR-UHFFFAOYSA-N 549.070 4.910 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC 408625669 VUUJSSUIBCPAHT-UHFFFAOYSA-N 565.692 4.862 0 40 KJAB Cc1c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)ccc(Br)c1Cl 408688410 WQRYMLKCAGFGBM-PBFVBANWSA-N 545.817 4.742 0 40 KJAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1)Nc1ccc(Br)c(Cl)c1 408689307 RWESAFWQOBJRDC-IRXDYDNUSA-N 519.779 4.578 0 40 KJAB C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)Nc4ccc(Br)c(Cl)c4)c3)C(=O)[C@@H]2C1 408690582 VZNDYULMJDCBRK-FSPWUOQZSA-N 533.806 4.824 0 40 KJAB O=C(Nc1ccccc1C(=O)N1CCCCC1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 408714670 USSZIAVYSRTWTI-GOSISDBHSA-N 538.497 4.800 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408864803 ZMIBWSKJFPRQHB-ZTJHJZSNSA-N 693.572 4.855 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)cc2)c1 408925998 WIDRTUJDBGMSHS-UHFFFAOYSA-N 611.698 4.702 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(I)c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409085097 NTHLLOXRMWNQAN-YLVTVWEBSA-N 683.362 4.573 0 40 KJAB COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(Br)c(Sc5nc(C)cc(O)n5)o4)c(=O)n32)c1 409100540 UKZNDNRGCNKJOU-NYIUWGNGSA-N 687.594 4.515 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)OC 409152058 JJFDRRLUYAKGDE-NVMNQCDNSA-N 583.844 4.728 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)c(=O)n2[C@@H]1c1cccs1 409205268 PDNQLAQRSISPKA-GBQZSFKXSA-N 573.740 4.594 0 40 KJAB COc1ccc([C@H](CC(=O)Nc2ccc3nc(C(C)C)[nH]c3c2)c2c(O)cc(C)oc2=O)c(OC)c1OC 524729214 JYJSMLHJENINMW-SFHVURJKSA-N 521.570 4.840 0 40 KJAB biogenic O=C(Nc1nc([C@H]2CCCN2CC(=O)N2CCc3ccccc32)cs1)c1ccc(Br)cc1 585271450 GRVKHJGKXDPHGB-OAQYLSRUSA-N 511.445 4.884 0 40 KJAB O=C1CN(Cc2ccccc2)Cc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2OCCCCCN1 643573405 VFMBBSSAAQORML-UHFFFAOYSA-N 524.665 4.822 0 40 KJAB COc1cc([C@@H](CC(=O)NCCN2CCCC2=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC 1547138256 DDPZSICSEYRECQ-BKMJKUGQSA-N 666.768 4.866 0 40 KJAB biogenic CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCN(c4cccc(C)c4C)CC3)cc2c1 1382272 MMPBYRBKRRONKX-WJOKGBTCSA-N 547.707 4.848 0 40 KJAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)c(OC)c1 1419100 TVSQLPSYVYBZMS-SSEXGKCCSA-N 553.594 4.996 0 40 KJAB Cc1ccc(CNC(=O)CSC2=Nc3ccccc3C3=N[C@H](Cc4c[nH]c5ccccc45)C(=O)N23)cc1 2964304 XTYHGDCIPAKCPS-RUZDIDTESA-N 507.619 4.727 0 40 KJAB COc1ccccc1CNC(=O)C[C@@H]1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O 2968544 DEKGKGUUFQSART-QFIPXVFZSA-N 519.026 4.947 0 40 KJAB O=C(CCn1c(SCc2ccccc2Cl)nc2cc3c(cc2c1=O)OCO3)NCc1ccc2c(c1)OCO2 2975573 OZNWMVLSSIGRKI-UHFFFAOYSA-N 552.008 4.506 0 40 KJAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 3236380 ZRKXUNIVHQINQD-UHFFFAOYSA-N 519.604 4.585 0 40 KJAB Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)OCC(=O)N3c4ccccc4NC(=O)C3(C)C)cc12 3417869 LHKCHYAVRPUUGH-UHFFFAOYSA-N 508.987 4.970 0 40 KJAB CC(C)(C)CC(=O)Nc1nc2c(s1)C[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)Nc1cccc(O)c1 4236991 BZNXCKDYJSMOAA-IOKADBLRSA-N 529.703 4.668 0 40 KJAB biogenic,in-vitro CCCCOc1ccc(S(=O)(=O)NCCCCCCNS(=O)(=O)c2ccc(OCCCC)cc2)cc1 6481099 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CC[C@H](c1nnnn1C1CCCC1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O 13495226 CCQICPYIUZXEQL-XMMPIXPASA-N 500.603 4.820 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)c1ccco1 14010424 WXRLGJSWPAVQHE-UHFFFAOYSA-N 501.608 4.628 0 40 KJAB C[C@@H](C(=O)NCCCN1CCOCC1)N1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 19899383 TYNOHOIDCCJIAH-SMSORMJASA-N 522.649 4.607 0 40 KJAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2C(F)(F)F)cc1Cl 20006270 IEWGAJQRUAHWMJ-HXUWFJFHSA-N 512.937 4.896 0 40 KJAB COc1ccc([C@H](C)NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 20012200 IVJMLCLMAGNRMV-SFHVURJKSA-N 505.011 4.864 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1Cl 20481121 SAQARPXNFVZPDN-UHFFFAOYSA-N 502.976 4.714 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 22248011 ULRBMQDZPBMXTJ-JOCHJYFZSA-N 510.509 4.772 0 40 KJAB COc1ccc(OC)c(NC(=O)Cn2c3ccccc3c3ncn(Cc4ccccc4Cl)c(=O)c32)c1 35399758 OWXGRWGBXHEOAF-UHFFFAOYSA-N 502.958 4.709 0 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COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(OCC(C)C)cc3)c(=O)n21 409015699 DHOBKYFLOWBMOI-NFYDWNOTSA-N 555.096 4.884 0 40 KJAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NCCC1=CCCCC1 409021207 ZBCWURRHJNJWNK-UHFFFAOYSA-N 505.478 4.689 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)cc(I)c3O)c2=O)=N1 409056904 FGOBXTFIGRJLEE-FJWZAKCXSA-N 672.342 4.947 0 40 KJAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc(C(=O)O)c3)c(OCC)c2)C1=O 409057697 QIMPGVFPGHKBPP-YBFXNURJSA-N 564.410 4.724 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C/c3cc(Br)cc(I)c3O)c2=O)=N1 409061320 ZEYXMWSVTBZNNS-FNUHDPNESA-N 683.362 4.660 0 40 KJAB COc1cccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)c1 409077489 FPDQMVKKWSOHQT-UHFFFAOYSA-N 523.836 4.941 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1 409200632 JAZBIOJPOHXBSY-WSDLNYQXSA-N 659.408 4.638 0 40 KJAB CC(=O)[C@@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N12 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COc1cccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Cl)c(O)c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 2121151 OAYCQRPMQSYVCB-ZSJKCPIUSA-N 531.033 4.695 0 40 KJAB COc1ccc(CCNC(=O)CSc2nc3cc(S(=O)(=O)Nc4cccc(Cl)c4)ccc3o2)cc1 3244361 MLOLLQYFVJKVDC-UHFFFAOYSA-N 532.043 4.742 0 40 KJAB COC(=O)c1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)cc1 3667541 HBNVETAEONDVSX-UHFFFAOYSA-N 503.561 4.614 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(COc4cccc(Cl)c4Cl)o3)c(=O)n2[C@H]1c1ccccc1 8455134 HTFUTLCJRYKFLF-GXPYYPFNSA-N 555.439 4.887 0 40 KJAB Cc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2c(C)cccc2C)cc1 11914069 WNRUBMOJKXVPRT-UHFFFAOYSA-N 504.612 4.857 0 40 KJAB O=C(N[C@H](Cc1ccccc1)C(=O)OCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1ccccc1 12616458 SKNBSEJQXYXWTA-SSEXGKCCSA-N 520.629 4.842 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(Cc1cccc(OC)c1)C(=O)Cn1nnc2ccccc21 13024601 VWWRWLZUAXOJGI-MUUNZHRXSA-N 529.641 4.523 0 40 KJAB O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 14075297 KETGGCCJSZSXPH-UHFFFAOYSA-N 517.695 4.799 0 40 KJAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 14413597 VZSHRRJZPAHIEL-UHFFFAOYSA-N 500.576 4.741 0 40 KJAB CCOC(=O)CSc1nnc(CSc2nc(N)c3c4c(sc3n2)CCCC4)n1-c1ccccc1 16755256 MQTHNPMJOBONRF-UHFFFAOYSA-N 512.686 4.681 0 40 KJAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(N(C)C)n2)cc1 17315611 BTEPRFFLSMPQOZ-UHFFFAOYSA-N 506.426 4.557 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccccc3OC)c(Cl)c2)cc1 20023467 IFBTYPWXEVDLSP-QGZVFWFLSA-N 519.019 4.804 0 40 KJAB COc1ccc(CN(C)C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 20462454 ODXVOQMJXWNFKJ-UHFFFAOYSA-N 503.020 4.520 0 40 KJAB O=C(Nc1ccc(I)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 30752947 MIWQSMWBAQKDQS-UHFFFAOYSA-N 512.756 4.998 0 40 KJAB COc1ccc(-c2csc3ncnc(N4CCN(S(=O)(=O)c5cccc(Br)c5)CC4)c23)cc1 38152795 BQMWLIFBWYZYIM-UHFFFAOYSA-N 545.484 4.640 0 40 KJAB O=C(Cc1ccccc1)NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 59331808 ULANIJZJWBJELK-UHFFFAOYSA-N 520.527 4.764 0 40 KJAB CCOc1ccccc1C(=O)[C@H]1[C@@H]2CCCN2[C@@]2(C(=O)Nc3c2ccc(C)c3C)[C@]12C(=O)Nc1ccccc12 61954445 QEBRGKUXJSEWSI-MWKYWARRSA-N 521.617 4.717 0 40 KJAB C[C@@](N)(Cc1ccccc1)C(=O)Oc1ccc(-c2coc3cc(OC(=O)[C@@H](N)Cc4ccccc4)cc(O)c3c2=O)cc1 72324091 GMRPECMMQVCOST-NDOVKIIASA-N 578.621 4.507 0 40 KJAB biogenic CC1(C)[C@@H](C(=O)N[C@@H](NC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(Cl)(Cl)Cl)[C@@H]1C=C(Cl)Cl 72332835 DRALDEYSNGRUOW-CJOZWWGPSA-N 586.800 4.546 0 40 KJAB CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2ccc(N3CCCC3=O)cc2)cc1 97995434 BEOQWAQZHRNCOS-AREMUKBSSA-N 560.651 4.882 0 40 KJAB O=C(CSc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2s1)NCCOc1ccc(Cl)cc1 98003586 ALMRPSKTNZHNDO-LMSYSOMVSA-N 540.066 4.549 0 40 KJAB C=CC1=C(C)/C(=C\C2=C(C)[C@H](CCC(=O)O)C(CC3=NC(/C=C4/NC(=O)C(C)=C4C=C)=C(C)[C@@H]3CCC(=O)O)=N2)NC1=O 100019104 KRAPUBRHQOHVHM-WKLPKGRFSA-N 584.673 4.828 0 40 KJAB in-vitro COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3n2)cc1Cl 100265785 SIPACSLNQGDLJX-UHFFFAOYSA-N 542.017 4.544 0 40 KJAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(c2ccc(F)cc2)CC1 100274171 CPXHXSOBGXJNRS-UHFFFAOYSA-N 536.456 4.672 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1OC)N(Cc1ccccc1F)C(=O)Cn1nnc2ccccc21 100355774 BWUARPRDZAKCPN-MHZLTWQESA-N 547.631 4.663 0 40 KJAB COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccccc2C)cc1OC 100363549 UPSIHOWCMWSAHT-SSEXGKCCSA-N 541.652 4.980 0 40 KJAB CC(C)CCNC(=O)CN(C(=O)Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(C(F)(F)F)c1 100458680 HNHJBKGEAQQXLW-UHFFFAOYSA-N 542.484 4.573 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@@H]2c2ccccc2)cc1 100708295 RNCBAVRGWPAJFR-VWLOTQADSA-N 556.482 4.664 0 40 KJAB O=C(COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1cc(Cl)ccc1Oc1ccccc1 103131462 SDGNSDUXECTKEA-ZHRRBRCNSA-N 599.876 4.745 0 40 KJAB COc1ccc(N(CC(=O)NCCSCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1OC 106423018 HBJRYTORVFAJEJ-UHFFFAOYSA-N 535.087 4.602 0 40 KJAB COc1cc(NC(=O)CCCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc(OC)c1OC 108448247 CNMYOHRUGWIDPL-DEOSSOPVSA-N 635.714 4.720 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 109659243 VRXKROYGFJGRIX-FUFNRSNVSA-N 602.665 4.552 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 163748953 FSPLEXPWDQEWAF-KYRGTEIWSA-N 712.562 4.889 0 40 KJAB COc1ccc(N2C(=O)[C@@H]3[C@@H](CC(c4ccccc4)=C4[C@@H]5C=C[C@@H]([C@@H]6C(=O)N(c7ccc(OC)cc7)C(=O)[C@@H]65)[C@@H]43)C2=O)cc1 169683754 ZROUANUJFOYOMA-TVKCEZFLSA-N 586.644 4.905 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 222450638 BHIABYIGSHQGKS-XMMPIXPASA-N 522.111 4.527 0 40 KJAB CCc1ccc(OCC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NC)cc1 222630311 KWOVSTPJDNZBKC-VWLOTQADSA-N 509.444 4.776 0 40 KJAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 222867348 MOQWLGCQADIEKF-NRFANRHFSA-N 637.661 4.607 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 222917375 PYSPCHYIHZIKGQ-OAHLLOKOSA-N 593.371 4.854 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NCCCOC(C)C)cc1 223165856 DOLKHZNNTIOSRN-HKBQPEDESA-N 611.780 4.628 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223203916 KARDHNAPCYAJMJ-HHHXNRCGSA-N 611.736 4.823 0 40 KJAB CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 223236454 DTPWAFAEGKEIPS-HKBQPEDESA-N 593.790 4.873 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 223263718 HJHJEEXHKUTWBI-PMERELPUSA-N 557.716 4.545 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1 223309412 MEFWIYJMIYWYCW-MGBGTMOVSA-N 613.736 4.733 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 223357982 NSVRLEYIDBSWSL-QFIPXVFZSA-N 542.529 4.710 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223460613 OZDVTMBEBMWKFX-ABYGYWHVSA-N 607.773 4.825 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 223539617 PJHBEJLLEARRKP-LJAQVGFWSA-N 622.585 4.999 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 223914388 CCZQOCWYXAIERF-INIZCTEOSA-N 560.931 4.889 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223999749 ROSDAUWJFWDDTO-GOSISDBHSA-N 598.549 4.744 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1 224026463 VQWUKUBYBLAYRM-QHCPKHFHSA-N 579.719 4.730 0 40 KJAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224057790 OQRXPPUBKVALGU-NDEPHWFRSA-N 553.700 4.787 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 224101196 RDOGTMSEBBFMLS-LJQANCHMSA-N 574.541 4.700 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224221810 OBRXXMATFFOCNJ-LJAQVGFWSA-N 623.747 4.967 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 224249565 UMHDFDJOZAPNNB-FQEVSTJZSA-N 548.920 4.665 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224460767 LIOHQKULSAJZKP-VWLOTQADSA-N 565.736 4.697 0 40 KJAB COc1ccc(CN(C(=O)CCCN2C(=O)c3cccc4cccc2c34)[C@H](C)C(=O)NCC(C)C)cc1 224477557 LTKFQEWTPWPODL-OAQYLSRUSA-N 501.627 4.778 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 224640265 FQIGVIIHZDQVOX-QFIPXVFZSA-N 586.552 4.896 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 224671063 MJUAADXDDFJBNF-VWLOTQADSA-N 535.710 4.751 0 40 KJAB Cc1ccc(N(CC(=O)NCc2ccccc2CN2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 224772784 LEYAFHGOQLELMH-UHFFFAOYSA-N 512.075 4.756 0 40 KJAB 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Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 3286787 YNDSYKJYBHNLNQ-UHFFFAOYSA-N 506.624 4.661 0 40 KJAB C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)C(=O)Nc1cccc(Cl)c1 3294920 DNDDGQZXJHLPLU-HNNXBMFYSA-N 519.406 4.929 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(F)cc4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1OCC 8452333 RGDPLCSTVRYOJS-NNAGEYCMSA-N 602.684 4.924 0 40 KJAB O=C1CSc2ccc(C(=O)Nc3cccc(S(=O)(=O)Nc4ccc(Br)cc4)c3)cc2N1 17574730 PWCOSRZUOSVSEO-UHFFFAOYSA-N 518.414 4.546 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)c2ccc(C)c(C)c2)cc1 22430571 LCAHWOTUUXVRGS-UHFFFAOYSA-N 502.640 4.618 0 40 KJAB COc1ccc(Br)cc1-c1nc(COC(=O)c2nnn(-c3ccc(F)cc3)c2C)c(C)o1 45900393 OJUBKNAFLMBYCY-UHFFFAOYSA-N 501.312 4.806 0 40 KJAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1 59331723 IXXNCUSCPOHPPP-UHFFFAOYSA-N 516.667 4.841 0 40 KJAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(OC)cc3)N2C1=O)C(=O)O 70705014 LOTHQIOSNMJAEY-PSHDZPGLSA-N 580.641 4.889 0 40 KJAB biogenic CNC(=O)c1cc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)c3ccccc23)ccc1OC 97951704 JCPBSDHRECZPSI-UHFFFAOYSA-N 545.665 4.892 0 40 KJAB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)c(C(=O)O)c1OC 97953973 AOSMQUGFTDUVIK-XJUOHMSHSA-N 543.359 4.760 0 40 KJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)nc1 97982495 GSVQJWQLKMXRSB-IBGZPJMESA-N 527.697 4.947 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCNC3CCCCC3)ccc2OC)cc1Br 97982613 KUXJHUIQAFJWLO-UHFFFAOYSA-N 554.507 4.908 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 100093071 SRBNVVQGUQNCPK-MHZLTWQESA-N 598.102 4.877 0 40 KJAB COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)c1 100363429 FPIMDBCGFYKORC-PMERELPUSA-N 539.636 4.866 0 40 KJAB O=C(Nc1ccc2c(c1)OCO2)C(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 100412696 OKCSVUNFZFIZTO-HHHXNRCGSA-N 531.584 4.712 0 40 KJAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 103589321 RODAGNWTXGAHKF-UEVFNHKWSA-N 619.809 4.857 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c2ccc(C)cc2)cc1 149493622 INAKNLVWIAYKBQ-UHFFFAOYSA-N 535.666 4.900 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 222676769 ATVNIECWGWVDCR-QFIPXVFZSA-N 542.529 4.708 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 222774201 JVTFJVAAHURCJM-HHHXNRCGSA-N 605.588 4.609 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 223041050 YCXLLWOFFDRHSB-VWLOTQADSA-N 542.101 4.706 0 40 KJAB O=C(NCc1ccc2c(c1)OCO2)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223183442 CCADQJDDYYTHKE-YTTGMZPUSA-N 657.764 4.884 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 223215697 HAUXVROEKQVVMK-QFIPXVFZSA-N 602.153 4.886 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223250384 PNRQQHCQXZRLSF-WJOKGBTCSA-N 591.774 4.625 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 223417689 TVXNKVYIZUCKQW-IBGZPJMESA-N 572.555 4.882 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 223427093 OTZIKVXOFFRVCW-DEOSSOPVSA-N 551.709 4.533 0 40 KJAB CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 223512685 PVBLPGQGWNRJIB-PMERELPUSA-N 591.661 4.530 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c2cc(C)cc(C)c2)cc1OC 223734984 GPAGBWPJJUJQRQ-VWLOTQADSA-N 607.773 4.992 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 223739752 MUQVCPSHJIGUMK-AREMUKBSSA-N 515.720 4.573 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223907413 ALBRGDUHUZCPIZ-QFIPXVFZSA-N 646.604 4.914 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 223928024 ZYRYVHATMOUHTC-QFIPXVFZSA-N 564.482 4.761 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 223940405 OJHPCKWNPFMTCO-CYBMUJFWSA-N 555.311 4.620 0 40 KJAB COc1cccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c1 224085662 SKPXLVSAUUZZOG-VWLOTQADSA-N 577.747 4.718 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 224090974 BBHBTYRYOZPPIP-OAQYLSRUSA-N 586.552 4.976 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 224244568 FMPYTXMNISPTCD-HHHXNRCGSA-N 539.673 4.581 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 224299940 UELXDGLNRSLROZ-HSZRJFAPSA-N 554.540 4.934 0 40 KJAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224605494 OHBFABQNFHQIMT-HHHXNRCGSA-N 586.154 4.838 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 224618580 IUPRIVUVRRQVOW-SANMLTNESA-N 529.747 4.738 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1CN1CCCC1)S(=O)(=O)c1ccc(C)cc1 224763761 DUKQUUWHRBVLKE-UHFFFAOYSA-N 542.101 4.765 0 40 KJAB CCOc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224808000 HGSUPEXCOHHHKS-UHFFFAOYSA-N 539.673 4.770 0 40 KJAB CN(C)S(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccccc1F 224934734 CTGCKOGDQWRQKS-LJAQVGFWSA-N 615.171 4.791 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 224990775 SPHIZHSNSAUETR-ILBGXUMGSA-N 535.710 4.831 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cn2)cc1 225224528 VSYPUVIKFGRBII-DQEYMECFSA-N 519.030 4.683 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 225257389 DSTBBLXXBOWWLT-AREMUKBSSA-N 569.699 4.753 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 225290758 LAEGQYQWBTXZJO-QHCPKHFHSA-N 542.529 4.710 0 40 KJAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225436476 YCVXNLUTNBKMTF-NDEPHWFRSA-N 595.762 4.584 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(C(C)C)cc1Br 225489030 VBJXSHANFWHCQO-OAHLLOKOSA-N 526.269 4.877 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 225525549 GTJPMCCOFXJURE-WJOKGBTCSA-N 569.727 4.885 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 225529479 WYHANJJOYORVSI-HHHXNRCGSA-N 630.605 4.780 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 225606124 UEGIVCUXAQPTCY-HSZRJFAPSA-N 582.937 4.799 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225653655 JUDYJDXYIYSOAB-QFIPXVFZSA-N 572.127 4.794 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2cccc3cccc1c23 225702097 BYFRLWYGQLLZOL-SFHVURJKSA-N 522.443 4.752 0 40 KJAB CN(Cc1nc(-c2cccc(Cl)c2)no1)S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 225753339 PVXGGTKLYKLGJG-UHFFFAOYSA-N 527.027 4.635 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)C2CCCCC2)c(C)c1 226042860 OIWFLOVBGUHHNM-UHFFFAOYSA-N 525.715 4.739 0 40 KJAB O=C(C[C@]1(COc2ccc(Cl)cc2)CCCN(S(=O)(=O)Cc2ccccc2)C1)N1CCCCC1 257271945 NALFUZPLGGPOJO-AREMUKBSSA-N 505.080 4.734 0 40 KJAB O=C(C[C@@]1(COc2ccccc2)CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1)N1CCCCC1 257291156 QFXCIEXCMPTILR-SANMLTNESA-N 505.080 4.734 0 40 KJAB CC1(C)Oc2ccc(OCc3ccccc3)cc2[C@@H]2O[C@H](CC(=O)NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC[C@H]21 257316986 VHWCFABAANNVBV-FATZWSQISA-N 599.727 4.572 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 260766468 HACIPTMKTNQCJN-XMMPIXPASA-N 563.720 4.675 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)c2ccccc2)cc1OC 260785081 LFGZSFUNGOUPQS-JOCHJYFZSA-N 597.709 4.514 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](CC)C(=O)NC)S(=O)(=O)c2ccccc2)cc1 260860689 QPSUZRPHXIRNBI-AREMUKBSSA-N 542.101 4.651 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 260913866 FYIYJCVZRMEMQI-HSZRJFAPSA-N 553.700 4.970 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c2cc(C)cc(C)c2)cc1OC 260935283 ICQTYIXOAZEVRL-XMMPIXPASA-N 595.762 4.848 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 260992326 QDWSXRIUIOATPL-MSOLQXFVSA-N 542.529 4.654 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1C 261012987 UQTSXWSYCGSAFW-OAQYLSRUSA-N 536.138 4.835 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2)c2ccc(Cl)cc2)cc1OC 408546795 GLGNILQKPSPUOY-UHFFFAOYSA-N 535.087 4.602 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3OC)cc2)cc1Cl 408560373 OUAJQIBZPCNYJJ-UHFFFAOYSA-N 511.383 4.829 0 40 KJAB COc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)Nc2cc(C)ccc2C)cc1 408576833 NTPHHYPPYQPNNN-UHFFFAOYSA-N 535.398 4.990 0 40 KJAB O=C(Nc1ccccc1Br)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 408584880 WEKOUIPTHJOYSY-FQEVSTJZSA-N 538.261 4.740 0 40 KJAB O=C(O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)C1=O 408594691 UXENQONECDFNGL-PJQLUOCWSA-N 673.028 4.759 0 40 KJAB CCc1cc(Br)ccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(C(=O)OC(C)C)cc1 408664859 KXXAOTASZLOLTR-UHFFFAOYSA-N 533.419 4.867 0 40 KJAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)c(C)c2)CC1=O 408668743 QZDMONZLOWHHFR-YCJPVSPPSA-N 538.644 4.636 0 40 KJAB CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1OCC 408681449 VZVLCZLFUFQRGJ-UHFFFAOYSA-N 504.630 4.702 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 408702221 LSZQEUQSYLHZGZ-UHFFFAOYSA-N 557.694 4.540 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C\c3ccc(OCC)c(Cl)c3)c2=O)=N1 408833727 XUONSMQUVCQUIO-QKSFETHESA-N 541.069 4.639 0 40 KJAB COc1cc(/C=C2\N=C(c3ccccc3Br)OC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 408948112 BXTPRELWUGYTIR-MOSHPQCFSA-N 528.380 4.878 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OC)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408969090 HCBFXSCQEHDYDE-ZMUHTPIZSA-N 537.852 4.767 0 40 KJAB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccc(Cl)cc2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 408989404 KPFVPAFOQSXIBR-JOCHJYFZSA-N 534.034 4.575 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccn4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408992041 QFOZADUNTUHGAJ-SCFJIEIRSA-N 538.050 4.591 0 40 KJAB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C(=O)O)c(Cl)c5)o4)c(=O)n32)cc1 408998832 UZUMEYBKAABMIS-QARYAGPDSA-N 593.057 4.807 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409043538 MWFJLLBNSIXHOC-SFKHYTNKSA-N 637.110 4.662 0 40 KJAB O=C(O)c1ccc(COc2ccc(Br)cc2/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 409085499 DBNCKLTXVQSDQU-CIAFOILYSA-N 525.330 4.958 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409146195 RQJMSNBYHDGPSX-UHFFFAOYSA-N 555.436 4.862 0 40 KJAB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1OC(F)F 409155346 QTWQYQINGBWBNK-XSZPGNIMSA-N 565.573 4.623 0 40 KJAB COc1c(Br)cc(Br)cc1/C=C1/SC(=O)N(CC(=O)N2CCC(C)CC2)C1=O 409274314 VSAQVUBWLSBQSS-OVCLIPMQSA-N 532.254 4.515 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc(I)c1O 409275092 YGOJAKPEFDHMKH-RQZCQDPDSA-N 543.766 4.968 0 40 KJAB Cc1cc(I)ccc1NC(=O)CSc1nnc(CC(=O)Nc2ccc(Cl)c(Cl)c2)n1C 409366764 VWWFLHQXUAOYKV-UHFFFAOYSA-N 590.274 4.947 0 40 KJAB O=C(CSc1nc(=Nc2ccccc2)nc(N2CCOCC2)[nH]1)Nc1cc(Cl)c(Cl)cc1Cl 409389316 HDYRXKKXJWTKRA-UHFFFAOYSA-N 525.849 4.565 0 40 KJAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3)cc2)cc1OC 409407800 AAVYORJNTKDPOY-UHFFFAOYSA-N 595.699 4.890 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cc(C)n(-c4ccccc4)n3)CCO2)C1=O 643556559 LRGWONIOXFMRGS-YTTGMZPUSA-N 544.696 4.826 0 40 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4.724 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2CN2CCCC2)c2ccc(Br)cc2)cc1 224763019 PHXWHSYVQWVDAA-UHFFFAOYSA-N 556.526 4.865 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 224768356 SWTLZOAOCDYABA-NRFANRHFSA-N 534.122 4.589 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 225212235 KYRXRIWMAICFIX-AREMUKBSSA-N 545.721 4.971 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 225307980 QVXZKMRUPORVRZ-RTBURBONSA-N 572.555 4.880 0 40 KJAB COC(=O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)o1 225414599 NFRXBAYFTULDDL-LOSJGSFVSA-N 548.646 4.677 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 225713169 RLNJLNLSPOTRMD-VGOFRKELSA-N 586.538 4.600 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 225752512 YUQFLGKPFGZTFC-FUFSCUOVSA-N 565.736 4.921 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2cccc(OC)c2)[C@H](CC)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260771331 ZZYRCUUZKUIQMZ-GDLZYMKVSA-N 587.783 4.896 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 260807220 RBHOSGWUKZCXTI-HSZRJFAPSA-N 611.736 4.904 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 260917354 ZXXMQHFXGSRXRH-HHHXNRCGSA-N 586.154 4.588 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 260929208 VWCZCOYKAOOKSI-DQEYMECFSA-N 535.710 4.831 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 260955256 KIVZPXQEHUQEAA-OALUTQOASA-N 542.529 4.708 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 260980928 KXLGWQHEJMIPKO-HHHXNRCGSA-N 586.154 4.669 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)c1 261047146 ZMXQNDHKTOECEE-XMMPIXPASA-N 565.736 4.839 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 261105302 WXVBHAIWDCVBDC-MNNSJKJDSA-N 642.616 4.973 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC)S(C)(=O)=O 261125192 ZWCYTLNIZFKDEN-RNAHPLFWSA-N 563.764 4.878 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(I)c1OCc1cccc(F)c1 408550360 GMUSLGIKHPARMD-UDWIEESQSA-N 596.418 4.677 0 40 KJAB CC[C@@H](C)NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2cc(Br)ccc21 408578361 KXNLWVPMPLMLQV-LLVKDONJSA-N 526.218 4.948 0 40 KJAB CCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2ccccc2OC)cc1 408579152 NDQOSWHTVGLKRT-UHFFFAOYSA-N 506.946 4.663 0 40 KJAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4[C@H](C)C=CC[C@H]4C3=O)c(C)c2)CC1=O 408674410 ZJMQAPIUIBJXGC-WSSIHVMPSA-N 514.622 4.780 0 40 KJAB O=C(NCCSCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 408694099 BILFDQNROXBYEH-UHFFFAOYSA-N 519.491 4.724 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)CC1 408703219 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CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3cc(Br)ccc3OC(C)C)c2=O)=N1 409018453 VUQQLCQWSGMIPQ-KEQCBNTKSA-N 613.530 4.857 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)c(N5CCCCC5)o4)c(=O)n32)cc1 409031633 JUTZDGGCDKUDRE-OWXSRONMSA-N 614.562 4.931 0 40 KJAB CCN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc(C(=O)O)c3)c(OC)c2)C1=O 409071578 KIINDXHQMNHUKA-LICLKQGHSA-N 539.347 4.633 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(C(C)C)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409108545 VCSZTJUVGAXMAL-MIUGUJGPSA-N 572.731 4.656 0 40 KJAB COC(=O)c1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3cc(OC)ccc3OC)C(C(=O)OC(C)C)=C(C)N=4)o2)c(C)c1 409109424 DQJBVBVLUYTQTL-VPHSIRQSSA-N 616.692 4.559 0 40 KJAB CCc1cccc2c(/C=C3\SC(=O)N(CCOc4ccc(F)cc4)C3=O)cn(CC(=O)NC[C@@H]3CCCO3)c12 409124362 BIIFDLZCXUOEFQ-GEGYVFIFSA-N 551.640 4.753 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 409192846 FYXFTZFRIGGUIJ-LMSRTUJASA-N 593.057 4.507 0 40 KJAB COC(=O)c1cccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(OC)cc4)C3=O)o2)c1C 409246917 KYZGVCGOCIPYLG-LPYMAVHISA-N 506.536 4.725 0 40 KJAB CCc1ccc(NC(=O)COc2ccc(C(=S)N3CCN(c4ccccc4F)CC3)cc2OC)cc1 409256605 MIUPDBPLJJNGAN-UHFFFAOYSA-N 507.631 4.912 0 40 KJAB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(Br)c(C)c3C)n2C)cc1 409364431 XWWFOZBGBOOPLZ-INIZCTEOSA-N 516.465 4.725 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 409382526 OKOQEYQIKSXNIT-UCQKPKSFSA-N 602.507 4.914 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4cccc(C)c4)c(I)c3)C2=O)o1 409398618 FDPOFSADNASIME-NDENLUEZSA-N 572.355 4.651 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2cccc(Cl)c2Cl)cc1 409410790 PZIOULIVUYFMHR-UHFFFAOYSA-N 582.531 4.920 0 40 KJAB Cc1ccc(Cl)c(OC[C@]2(O)CCCN(Cc3cccc(OCCCN4CCCC4=O)c3)CC2)c1 585270721 INYKBPGETQMRFV-NDEPHWFRSA-N 501.067 4.836 0 40 KJAB Cc1cc(C)n(CC(=O)N2CCCCOc3ccc(Cl)cc3C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)N(C)CCCC2)n1 643559390 USJVTFXNBACWTK-LJAQVGFWSA-N 608.183 4.777 0 40 KJAB CCOc1ccccc1CN1CCCN(C(C)=O)c2ccccc2CN(C(=O)c2nnn(-c3cccc(OC)c3)c2C)CC1 643560073 JOAHQYBRVRTIBY-UHFFFAOYSA-N 596.732 4.884 0 40 KJAB O=C1CCCOc2ccccc2CCCCC2(CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CC2)CN1 643562218 NYJNBNIOHLHXDG-UHFFFAOYSA-N 599.769 4.537 0 40 KJAB CC(C)c1nnc(CCC(=O)N2CCC3(CCCCOC[C@@H]4CCCN4C(=O)c4cccc(c4)OC3)CC2)o1 643562749 ONOGFBNCUFAZHH-DEOSSOPVSA-N 538.689 4.619 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2ccc(F)cc2)cc1 720287 ILWBXHCILIYYFL-RUZDIDTESA-N 549.624 4.585 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(CCc2ccccc2)C(=O)[C@@H]2COc3ccccc3O2)cc1 888247 FEXATXOIMWSQRS-VMPREFPWSA-N 514.622 4.706 0 40 KJAB COc1ccc(CNC(=O)[C@@H](c2ccc(OC)cc2)N(Cc2ccccc2)C(=O)[C@H]2COc3ccccc3O2)cc1 898206 CUVVWDRPIUUVRC-FIRIVFDPSA-N 552.627 4.930 0 40 KJAB COC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2-c2ccc(OC)cc2)cc1 925239 IXGUXPMMTNJNBV-UHFFFAOYSA-N 521.574 4.545 0 40 KJAB C[C@H]1CNC(CCc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(CCC5=N[C@@H](C)CN5)cc4)cc3)cc2)=N1 1694614 YKIDFLUGGRBNQC-VXKWHMMOSA-N 536.680 4.837 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@H]1c1ccccc1 2081219 CSMISFNNSNRIAU-FCKOQQNDSA-N 504.995 4.712 0 40 KJAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)c(OC)c1)N(c1ccc(C(=O)OC)cc1)C(=O)C2 2096771 PYOFNGXHJPGGIN-MUUNZHRXSA-N 505.567 4.967 0 40 KJAB biogenic COc1ccc(OC)c([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCCCC4)CC(=O)N32)c1 2103070 MJXIWAFILDJONL-SVEHJYQDSA-N 501.627 4.983 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3Cl)c(=O)n2[C@H]1c1ccccc1Cl 2163969 QHMYWUZHASAZFW-OWMRDYPQSA-N 507.826 4.759 0 40 KJAB C[C@H](Sc1nnc(N)s1)C(=O)Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1 2273827 DXZBKTLYASYHQY-LBPRGKRZSA-N 528.710 4.531 0 40 KJAB CCOC(=O)[C@](O)(c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)cc1)C(F)(F)F 3169399 XPXATMMKDBLMQR-RUZDIDTESA-N 560.554 4.796 0 40 KJAB COc1cccc(-n2c(SCC(=O)N(Cc3ccccc3)C(C)C)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1 3318612 YYISGQFONRPBCL-UHFFFAOYSA-N 579.748 4.723 0 40 KJAB COc1ccc(C)cc1N(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1nc2ccccc2s1 3354815 VTGYNNWUKYRJMI-UHFFFAOYSA-N 553.662 4.621 0 40 KJAB O=C1C(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)Nc2ccc3c(c2)OCO3)c2cccs2)c2ccccc21 3773528 QHENVMSDBYUSTH-HHHXNRCGSA-N 571.586 4.554 0 40 KJAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3ccc(-c4ccccc4)cc3)C2)cc1 4150075 HMCQMCDEYUAZMB-BKMJKUGQSA-N 582.682 4.534 0 40 KJAB biogenic,in-vitro CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N(Cc3ccc(Cl)cc3)Cc3ccco3)cc2c1 6197994 CGOLPSWJJKMXIB-SANMLTNESA-N 533.032 4.762 0 40 KJAB Cc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N(CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 6409890 FYOBLUPWYNLWDP-YWEHKCAJSA-N 540.693 4.898 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3cccc(OC)c3)c2=O)=N1 8407272 JORKQNASMPJDPL-RFZPLYKNSA-N 542.657 4.749 0 40 KJAB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)C(C)(C)Oc4ccc(Br)cc4)c3)nn12 10010335 UWPOLOMCRIXVFS-UHFFFAOYSA-N 516.421 4.982 0 40 KJAB O=C(Nc1cccc(Br)c1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 10693142 AWHFETQILPDDFC-UHFFFAOYSA-N 506.249 4.936 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(C)cc1)N(C(=O)CNC(=O)c1cccs1)c1ccc(OC)cc1 12489003 NBLMWOQKBOQHOK-RUZDIDTESA-N 507.656 4.874 0 40 KJAB COc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2)cc1OC 13030567 OEHVHIVUNYKZIC-LJAQVGFWSA-N 529.641 4.694 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)ccc1OC 13032654 CZIBQXGWKUMXGZ-RUZDIDTESA-N 505.644 4.889 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 13137896 CVMRRZGISWFYFQ-UHFFFAOYSA-N 512.440 4.699 0 40 KJAB COC(=O)c1cc(NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)ccc1Cl 14412423 QPHOGWIJCSTKAT-INIZCTEOSA-N 502.976 4.712 0 40 KJAB COc1ccc(NC(=O)CN2C(=O)C[C@H](c3cc(OC)c(OC)c(OC)c3)Sc3ccccc32)cc1 16954039 SHWHNYZVPOZMBW-XMMPIXPASA-N 508.596 4.930 0 40 KJAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C 19369918 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COc1cccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 260989245 PQMQAUMZFGNHMO-HSZRJFAPSA-N 551.709 4.531 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 261011262 UJVPSKATXMYGBG-OUTSHDOLSA-N 625.788 4.938 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 261027724 JAMQFQHJQDQJPX-IDISGSTGSA-N 604.144 4.809 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1Cl 261043614 ZKVOQAIBCBLBFY-GOSISDBHSA-N 570.539 4.634 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2n[nH]c(-c3cc(Cl)ccc3OC)n2)sc2c1CCCC2 408638488 RGIYTBCKULZENI-UHFFFAOYSA-N 507.037 4.982 0 40 KJAB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1)Nc1ccccc1 408687397 UUZMWBUQVJHKSR-RAWLKHAVSA-N 528.564 4.879 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(C)C)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1Cl 408836312 PWPMESDLWBGDPY-KMBIYUNPSA-N 555.096 4.885 0 40 KJAB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4c(C)n(C)c5ccccc45)c(=O)n32)cc1 408927731 XJFJTHFELXVKCT-RISWYLRJSA-N 531.703 4.709 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)c(Cl)c2)C2CCCCC2)cc1OC 409004782 RHTLNDGYVUYQEH-UHFFFAOYSA-N 501.432 4.973 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(I)cc(I)c3OCC(F)(F)F)c2=O)=N1 409033668 OOXRPDWYDNXGKH-CYEGBWLXSA-N 754.306 4.949 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCC)c(Cl)c4)c(=O)n32)cc1 409044638 HDCGXWNIRTUKDZ-XSZPGNIMSA-N 541.069 4.638 0 40 KJAB COc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc(Br)c1OCC(=O)Nc1ccccc1C 409266097 OQFISMRLSSSHGW-HOTGVXAUSA-N 507.450 4.568 0 40 KJAB O=S1(=O)C[C@@H](N(c2ccc(NS(=O)(=O)c3cc(Br)ccc3Br)cc2)S(=O)(=O)c2cc(Br)ccc2Br)[C@@H](O)C1 575424984 WNUMEHUDBHHLKA-UXHICEINSA-N 838.210 4.891 0 40 KJAB Cc1cc(OC[C@]2(O)CCCN(Cc3cccc(OCCCN4CCCC4=O)c3)C2)cc(C)c1Cl 585273181 XZJCAEDEYUDAOT-NDEPHWFRSA-N 501.067 4.754 0 40 KJAB COc1ccc(CC(=O)N2CCN(C(C)C)CCCN(C(=O)c3ccccn3)c3cc(F)ccc3C2)cc1C 643561351 GVWGUMGHZORVJU-UHFFFAOYSA-N 532.660 4.870 0 40 KJAB CCCC(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)Cn2ccnc2)Cc2ccc(Cl)cc21 643568605 AAIYKXAPDZFVAS-UHFFFAOYSA-N 508.066 4.604 0 40 KJAB CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(CN4CCC[C@H]4C(N)=O)c3)c2)cc1 1615056803 AOEUWVJOOQOWCD-NDEPHWFRSA-N 548.709 4.840 0 40 KJAB CCOc1cccc(C(=O)N2Cc3ccccc3N(C(C)=O)CC[C@H]3CC[C@@H](C2)N3Cc2cccnc2)c1 2037946864 JCBKCAWHNWEJQU-IZLXSDGUSA-N 512.654 4.913 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2cccc(Br)c2)cc1 628106 MSZRGABXRNHGQR-UHFFFAOYSA-N 562.917 4.955 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(I)cc2C)nnc1-c1ccccc1OC 649470 UCQXOYHGERSBMK-UHFFFAOYSA-N 508.385 4.617 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(Cc3cccs3)C2=S)cc1 710605 CKBISJGXISIKAL-NRFANRHFSA-N 511.600 4.595 0 40 KJAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(N(C(=O)c3cnccn3)[C@H](C(=O)NC3CCCCC3)c3cccs3)cc2)C1 883440 YWZQIEPJQIDEQV-ZBLYBZFDSA-N 581.764 4.796 0 40 KJAB O=C(COc1ccc(Cl)cc1Cl)N1CCCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 1013793 AIXGNQFHVKZCMK-UHFFFAOYSA-N 506.213 4.819 0 40 KJAB CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCN(Cc4ccccc4)CC3)CC(=O)N21 2109001 SEQYUZRVTACMGK-RYCFQHDISA-N 548.687 4.916 0 40 KJAB biogenic CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)n2[C@@H](C)c2ccccc2)cc1 2639584 BUOOWLYNQRSGJJ-IBGZPJMESA-N 515.639 4.859 0 40 KJAB CC(C)C[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 6190459 UWUUADQHVBNABW-HSZRJFAPSA-N 513.017 4.639 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2ccc(C)cc2)cc1 8599820 JYSGMUMWVQEUDL-DEOSSOPVSA-N 503.530 4.677 0 40 KJAB CC1=C[C@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@H](C(=O)c3ccccc3)N2c2ccc(Cl)cc21 8742718 VCYXWWVNBCHCLS-CPPMQADQSA-N 512.949 4.732 0 40 KJAB Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2)n1 9573264 XBMKCFOCEVFSRP-UHFFFAOYSA-N 501.612 4.832 0 40 KJAB COc1ccccc1[C@@H](C)NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 20011626 KPDSARLRSPGKGS-GOSISDBHSA-N 517.445 4.526 0 40 KJAB COc1ccc([C@@H](C)NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 20012438 CBJINASMQZWKRF-LJQANCHMSA-N 517.047 4.734 0 40 KJAB COc1cccc(NC(=O)CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)c1 20057937 CYIUYJJTWGTAGC-UHFFFAOYSA-N 521.668 4.694 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2ccnc2C)c2ccc(Cl)cc2)cc1 22430928 PIZSYINVKURPNT-UHFFFAOYSA-N 509.031 4.654 0 40 KJAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22918541 WUMZIZZVYAPIHK-UHFFFAOYSA-N 517.029 4.954 0 40 KJAB CN(C)S(=O)(=O)N(CC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1F 30863267 TUDOSTNGHZRQLH-UHFFFAOYSA-N 526.634 4.627 0 40 KJAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)c1ccc(Br)cc1 32643089 OIVBKGUAICYAKW-MWTRTKDXSA-N 517.420 4.581 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cccc(C(F)(F)F)c1 59652280 GIFSHECNFYYMGG-UHFFFAOYSA-N 561.991 4.564 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1cccc2ccccc12 59888075 YEAYRPDCEFGKMI-UHFFFAOYSA-N 588.505 4.808 0 40 KJAB COc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 59930793 QCQFQNLGPJIPHK-UHFFFAOYSA-N 532.018 4.534 0 40 KJAB COC(=O)C[C@H](c1cc(OC)c2c(c1)OCO2)c1oc(CSc2ccc(Cl)cc2)cc(=O)c1O 96335879 VWNQQZUZYWTWBQ-QGZVFWFLSA-N 504.944 4.723 0 40 KJAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 97982865 RKOCVVCUGXQROC-UHFFFAOYSA-N 553.584 4.543 0 40 KJAB COc1ccc(C(=O)COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Br)cc2)cc1 97995678 XCIAIYACIKARTO-DEOSSOPVSA-N 535.394 4.706 0 40 KJAB biogenic Cc1ccc(-c2nn(CC(=O)Nc3cc(-c4nn(C)c(=O)c5ccccc45)ccc3N3CCOCC3)c(=O)c3ccccc23)cc1 97999857 IDJKPTDSJWEQCG-UHFFFAOYSA-N 612.690 4.761 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)c(OC)c1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 100356039 SDMGQRQJXXDVFD-NDEPHWFRSA-N 547.631 4.663 0 40 KJAB COc1ccc(Br)cc1C(=O)NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 100360106 UGTZXVBEEYJWEN-UHFFFAOYSA-N 516.808 4.972 0 40 KJAB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1C 100971611 VUSGGVDCHJPOCM-UHFFFAOYSA-N 569.636 4.997 0 40 KJAB O=C(CCc1nnc2n(Cc3ccccc3Cl)c(=O)c3ccccc3n12)NCCOc1cccc(C(F)(F)F)c1 101038098 YSOIANCUTAXJHK-UHFFFAOYSA-N 569.971 4.893 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)[C@H]2CC=CCC2)cc1 101391381 LWFGSIIEUUFTPJ-OOOSNSGVSA-N 594.716 4.669 0 40 KJAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CCC2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 101486281 YTMRGBNSIUCLQM-CTBJKRMSSA-N 585.638 4.672 0 40 KJAB Cc1ccc(-c2c(C3=NN(C(=O)CCC(=O)O)[C@H](c4ccc5nccnc5c4)C3)c(=O)[nH]c3ccccc23)cc1 101496259 PGKIIIDMULAQDS-SANMLTNESA-N 531.572 4.989 0 40 KJAB CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(OC)c(Br)c4)N(c4ccccc4)O[C@H]3C2=O)cc1 102759764 LIBDXMDOAPMSDR-RBZQAINGSA-N 523.383 4.908 0 40 KJAB COc1ccc(OC)c(N(CC(=O)NCCSCc2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 106006813 VQXZDMYGHQCKFJ-UHFFFAOYSA-N 535.087 4.602 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 222647394 WXNXXQIWCQVIMK-LJQANCHMSA-N 608.544 4.678 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 222656194 OFYVZVKYFPSJCC-SFHVURJKSA-N 566.482 4.800 0 40 KJAB Cc1ccc(CN(C(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 222779124 GHNMEGKCQBSVAY-NRFANRHFSA-N 536.138 4.835 0 40 KJAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1 222864289 DPDZEPFHGTYNDC-GOSISDBHSA-N 513.457 4.838 0 40 KJAB CCc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@H](Cc2ccccc2)C(=O)NC)c(Br)c1 222872421 KIIRBTMMNCMNGH-RUZDIDTESA-N 539.470 4.785 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 223007016 MWMIHFUIOWZZOH-JOCHJYFZSA-N 646.604 4.832 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCCc2ccc(OC)cc2)cc1 223020286 SJWIQEFRXYMQMJ-UUWRZZSWSA-N 627.807 4.925 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2Cl)[C@@H](CC)C(=O)NC)c2ccc(F)cc2)cc1 223132991 ADYOSQLUYWEOIJ-SANMLTNESA-N 576.090 4.627 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 223187175 QIQBZSTXNQYZAC-JOCHJYFZSA-N 536.138 4.837 0 40 KJAB Cc1cccc(C)c1N(Cc1ccc(C(=O)NCc2ccc(-n3ccnc3C)cc2)cc1)S(C)(=O)=O 223209779 GLQLPXGEYYSUII-UHFFFAOYSA-N 502.640 4.694 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 223446305 QFBYRBCVHLRJJB-QDPGVEIFSA-N 570.155 4.969 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 223812846 XPKXAZQJVOPOMA-HXUWFJFHSA-N 546.492 4.622 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223858011 JIHIWFSQLABUIP-LJQANCHMSA-N 608.544 4.759 0 40 KJAB COc1ccc(OCCNC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1 224071978 FJKARVXTXGLXHY-UHFFFAOYSA-N 523.438 4.777 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224137345 YZNSUCVIRNWKNE-NDEPHWFRSA-N 551.684 4.887 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)(C)C)c2ccccc2)cc1OC 224140425 LECFINXFEFVURP-NRFANRHFSA-N 646.604 4.994 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 224400932 KDLZMDBSSHCRBV-MRXNPFEDSA-N 593.371 4.711 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 224714399 YUUZDJPYCCWOAQ-HSZRJFAPSA-N 539.673 4.581 0 40 KJAB COC(=O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)c1 224825282 CUWRXWMCIXPKFL-CLJLJLNGSA-N 514.607 4.853 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 224918309 HJFKJGCGMLRVQJ-LJAQVGFWSA-N 625.788 4.796 0 40 KJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 225055318 AQBKFBKSNSBHOL-SANMLTNESA-N 549.737 4.793 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 225059714 IIYDHXYSQZOSPC-DHIUTWEWSA-N 539.673 4.661 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 225108436 JLOCYFHLMMEVLQ-MHZLTWQESA-N 623.578 4.910 0 40 KJAB Cc1cc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)ccc1Br 225163891 DHIBBCPZFBMIRH-IBGZPJMESA-N 582.536 4.529 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccn2)cc1Cl 225233729 KWDRBFIHVQPKSG-DQEYMECFSA-N 519.030 4.683 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 225386179 UOOKTHFLTRNCNR-XMMPIXPASA-N 552.137 4.537 0 40 KJAB CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 225408467 LVDDVKLYALJNKK-BJKOFHAPSA-N 534.619 4.588 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 225550962 RNBFARQTFROKHJ-HKBQPEDESA-N 585.726 4.585 0 40 KJAB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)c1 225626846 CEWGCWPHLFHDJW-IZLXSDGUSA-N 510.667 4.945 0 40 KJAB CC(C)Oc1ccc(CN(CC(=O)O)C(=O)[C@H]2CC[C@H](O)[C@@H](Nc3ccccc3OC(C)C)CC2)cc1 257286275 PKZJMFOUDWZRMB-CWDLOFLHSA-N 512.647 4.706 0 40 KJAB C[C@H]1CCCN(c2cc(N3CCc4ccccc4C3)nc(NC(=S)NCc3ccc4c(c3)OCCO4)n2)C1 260710453 HKZHDBRASCHEDZ-FQEVSTJZSA-N 530.698 4.533 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1C 260872896 AQDMUNIMYYZEIT-HSZRJFAPSA-N 545.721 4.855 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)c2cccc(Cl)c2)cc1 260879634 NDULKVVLKBIXFN-HXUWFJFHSA-N 576.090 4.625 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(=O)(=O)c2ccc(C)cc2)c1 260932730 MPAAVAZNHJTMFS-HXUWFJFHSA-N 508.640 4.574 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 260994444 DCZMJOMHKSQABD-VXKWHMMOSA-N 580.589 4.944 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 261012702 GZTUKTKUUXGJRD-VXKWHMMOSA-N 602.153 4.885 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c1 261032156 XIGBVJRTALIXJR-HSZRJFAPSA-N 581.710 4.814 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)c1ccc2c(c1)OCO2 261057089 NBFJOWHDRHFVCX-AREMUKBSSA-N 614.164 4.780 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 261079959 RBPQXBZPYOZQRR-OUTSHDOLSA-N 567.727 4.927 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 261097053 VFNGPUMBODGZOH-GIGWZHCTSA-N 567.727 4.927 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(I)cc3)cc2)cc1Cl 408550458 CJSKEYBEGWRJBP-UHFFFAOYSA-N 572.808 4.772 0 40 KJAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 408582238 WAZOPIIXWHXPBN-GOSISDBHSA-N 511.500 4.636 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c2cccc(C(F)(F)F)c2)cc1 408617101 HOZFNXKWYLNIMH-JOCHJYFZSA-N 575.609 4.757 0 40 KJAB CC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cc(Cl)c(Br)cc2C)cc1 408669338 WBCZRAOUGANOHW-UHFFFAOYSA-N 509.784 4.904 0 40 KJAB CC(C)C[C@H](C(=O)OCC(=O)N[C@H](C)c1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408686703 NQJXHKZHOVZLMH-DCMQMDIASA-N 550.655 4.714 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cccc2ccccc12 408880674 HVJQLEVAZLBMRD-GJFKPFFXSA-N 593.499 4.731 0 40 KJAB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n21 408958682 WJLPVLOYFCEJMK-VMOHIOPYSA-N 653.336 4.563 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(Br)cc1 408997955 PIWZWAXPSZOQER-VZZQTLFRSA-N 612.727 4.682 0 40 KJAB COc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Br)c1OCc1ccc(Br)cc1 409069140 VFGMUVYMYQEEJD-UHFFFAOYSA-N 726.469 4.924 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3/C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 409117461 NQGPXJZGDVUVSR-HRDPAUATSA-N 658.574 4.832 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3\C(=O)N(Cc4ccccc4)c4ccccc43)c(=O)n2[C@@H]1c1cccc(OC)c1 409137579 YJGHHGKUUVBBQN-HQUPDARDSA-N 627.722 4.861 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(CN4CCCCC4)o3)c(=O)n2[C@H]1c1cccc2ccccc12 409142907 FJYFPPAWRBQTHB-IAOUMNOZSA-N 541.673 4.530 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)cc2)C1=O)Nc1ccccc1N1CCOCC1 409193885 GYGLJXJTNVNPPH-YZSQISJMSA-N 547.608 4.916 0 40 KJAB CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1OC 409274907 RCMVVEBTVWZPQE-WGOQTCKBSA-N 591.642 4.795 0 40 KJAB COc1ccccc1CNC(=O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O 409376428 ARBAPUIATCOZKT-YADHBBJMSA-N 613.463 4.885 0 40 KJAB CC(C)CC(=O)N1CCCN(C)CCN(C(=O)c2ccc(OCCN3CCCCC3)cc2)Cc2ccccc21 643554074 AHPJARGGVXVUJU-UHFFFAOYSA-N 534.745 4.908 0 40 KJAB CNC(=O)c1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)ccnc2cc1OC 1911936306 JSPCKALGNNVYOO-UHFFFAOYSA-N 528.540 4.892 0 40 KJAB C[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)C1 933713 XNNQBEABABSEQB-IBGZPJMESA-N 511.109 4.894 0 40 KJAB CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O 1374634 ZCTKJDHRBBEXMN-VWLOTQADSA-N 504.635 4.830 0 40 KJAB CCCC[C@H](C(=O)O)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 1791754 KWWTXPWJXWGGOT-RXMQYKEDSA-N 576.861 4.976 0 40 KJAB COCCCn1c(NS(=O)(=O)c2ccccc2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 1874682 QCKIVASRGAFJEA-UHFFFAOYSA-N 550.662 4.563 0 40 KJAB CCOC(=O)c1c(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)sc2c1CC[C@H](C)C2 3265053 RJPTUBDOMJXSSU-SFHVURJKSA-N 542.679 4.892 0 40 KJAB C[C@@H]1CC(=O)c2c(cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@H](C)CC6=O)c(O)cc(O)c3c2O)O1 5328059 JGQBYBXYRUCBQY-NXEZZACHSA-N 518.474 4.601 0 40 KJAB biogenic,investigational O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccc2c(c1)OCO2)C(=S)Nc1ccc(F)cc1)OCO3 6445583 LNRBEUPKGMFPPK-UHFFFAOYSA-N 505.527 4.524 0 40 KJAB COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(Cl)cc2Cl)c1 9907893 SSJIVKCLMVVQLI-UHFFFAOYSA-N 512.393 4.995 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCCC4)cc3)cc2)c(OC)c1 10315326 JYCDNTQDCKAZOU-UHFFFAOYSA-N 509.628 4.743 0 40 KJAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)cc1OCC 10543992 OIRQKLDEEMVSLV-LJQANCHMSA-N 504.649 4.548 0 40 KJAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2Cl)c1C 12600899 QEETVVPYBFWZKB-UHFFFAOYSA-N 518.035 4.585 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1OC 13029243 QRCIXIRODDCNIV-NDEPHWFRSA-N 529.641 4.523 0 40 KJAB COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)c1OC 13029924 LDVMRYLYIPEYDS-NDEPHWFRSA-N 527.625 4.590 0 40 KJAB CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccccc2C)cc1 13031249 CMOPMLITUXPOPK-GDLZYMKVSA-N 526.641 4.635 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 13064517 ZKQDIGLMEPMICQ-DEOSSOPVSA-N 520.609 4.615 0 40 KJAB NC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc1 13137218 IWKFTXXHAFSAMB-UHFFFAOYSA-N 504.340 4.559 0 40 KJAB CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 15222453 FJQHXBQDUPLVKR-ORNWXQJGSA-N 530.672 4.961 0 40 KJAB CC(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)cccc12 16575491 XOPOQDBZOVZSJA-SANMLTNESA-N 515.635 4.506 0 40 KJAB COC(=O)c1cc2cc(NC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)ccc2s1 19930885 RCRZUQKYJCISFA-JOCHJYFZSA-N 508.621 4.525 0 40 KJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1 20458815 LXVOBYGLBOASFE-NRFANRHFSA-N 504.992 4.954 0 40 KJAB COc1cc(NC(=O)COc2c(C)cc(C)cc2Br)ccc1N1C(=O)c2ccccc2C1=O 22833620 KYAAPHQGPQDZFZ-UHFFFAOYSA-N 509.356 4.893 0 40 KJAB CCOC(=O)[C@]1(Br)C(c2ccccc2)[C@@](Br)(C(=O)OCC)[C@@](C)(Br)N[C@@]1(C)Br 33355170 CPKBQOWOKDFJPW-SMXSEESUSA-N 649.012 4.989 0 40 KJAB O=S(=O)(Nc1ccccc1C1=NN(S(=O)(=O)c2ccccc2)[C@H](c2ccco2)C1)c1ccccc1 35683994 FSQVFTNHKFSTHH-DEOSSOPVSA-N 507.593 4.620 0 40 KJAB COc1ccccc1NC(=O)CSc1nc2c(sc3ncccc32)c(=O)n1Cc1ccc(F)cc1 45923015 RMLHWABKQSWAOD-UHFFFAOYSA-N 506.584 4.933 0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 59857900 LDVSQKDVFRIZQD-UHFFFAOYSA-N 553.637 4.769 0 40 KJAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)Oc2ccc(Cl)cc21 60060319 XSAYOBTVEPNMBF-NRFANRHFSA-N 590.894 4.613 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NC3CCN(Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 70698927 ZCGHVWBUJIOHPL-MHZLTWQESA-N 557.691 4.940 0 40 KJAB biogenic COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)C[C@H]4c2cc(OC)c(OC)cc2OC)cc1 85878074 ZSQAZYSMNQKBHS-SFHVURJKSA-N 518.518 4.944 0 40 KJAB biogenic CCCc1nnc2c3ccccc3c(-c3ccc(N4CCOCC4)c(NS(=O)(=O)c4ccccc4)c3)nn12 97956700 OFEGRMOUMMRXBL-UHFFFAOYSA-N 528.638 4.534 0 40 KJAB CCOc1ccc(N2C(=O)[C@@H](C)S[C@@]23C(=O)N(CN2CCN(c4ccc(F)cc4)CC2)c2ccccc23)cc1 98003524 YLEGDBTXHWJUPB-DFXYEROKSA-N 546.668 4.672 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)sc2c1CCC2 98048977 NNLHNESREKOPLF-UHFFFAOYSA-N 535.647 4.852 0 40 KJAB CCc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)c(OC)c2)cc1 100363998 YVNVRMCRABHOJD-PMERELPUSA-N 541.652 4.844 0 40 KJAB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccc(-c2ccccc2)cc1 100664237 MMYIYGIKDRXFMK-LHOCTXBYSA-N 531.608 4.744 0 40 KJAB OC(c1cccc(I)c1)(c1cccc(I)c1)c1ccccn1 100682487 FVNIHGWBWPOZLC-UHFFFAOYSA-N 513.116 4.575 0 40 KJAB Cc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1NC(=O)N1CCN(c2ccc(F)cc2)CC1 100980008 VWDWNHOBSPRFFE-UHFFFAOYSA-N 534.611 4.981 0 40 KJAB CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccccc3)C(=O)N12)C(=O)NCc1ccc(C)cc1 102738543 AGGAKHVDCFUQJF-KAYWLYCHSA-N 567.715 4.878 0 40 KJAB COc1ccc(NC(=O)CN(CC(=O)Nc2ccc(OC)c(Cl)c2)C[C@@H]2COc3ccccc3O2)cc1Cl 102924954 PUAYJXIBGMWRCI-LJQANCHMSA-N 560.434 4.730 0 40 KJAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1 103533560 AQJVLBHXEAPHRD-CXSMSNRLSA-N 529.390 4.856 0 40 KJAB 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0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223232478 KEGVVZOJWSAHKX-QFIPXVFZSA-N 536.138 4.837 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 223388851 JMRBSLZIQWMKBU-PDDLMNHVSA-N 563.764 4.933 0 40 KJAB CC(C)CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223464021 XRTFPNOHWFAIJZ-SSEXGKCCSA-N 565.711 4.741 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223473795 IBPHFNKCNXMYDU-NRFANRHFSA-N 546.492 4.621 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C(=O)NCCCOC(C)C)c2ccccc2)cc1 223520305 SEYZUDFARCRZOE-JGCGQSQUSA-N 609.789 4.627 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 223555965 ZDODYLUZJBNYPD-QFIPXVFZSA-N 542.101 4.706 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223812354 OFKLQXGZNFAKOQ-JOCHJYFZSA-N 546.492 4.622 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223893969 RUXLHRYXXVBMKH-NRFANRHFSA-N 602.551 4.597 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 223997178 QNLCEBAPJUZENH-HHHXNRCGSA-N 581.735 4.623 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 224027657 AHYDCJBRYOCTQK-RUZDIDTESA-N 566.164 4.927 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224082603 RTMWRWRUBCMSDF-HSZRJFAPSA-N 551.684 4.540 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 224141100 FTCJLYISEWOVKU-OAHLLOKOSA-N 593.371 4.854 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 224185356 MKFFIRQPWIACIA-MUUNZHRXSA-N 535.710 4.751 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 224344859 SUEQHBXGNGVPES-HSZRJFAPSA-N 631.964 4.577 0 40 KJAB 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COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Br)s2)cc1C 225260623 GGJIHDFFNOKPRO-LEWJYISDSA-N 517.474 4.976 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 225702877 TYDKBFVWOIRITM-SANMLTNESA-N 572.127 4.876 0 40 KJAB CCN(c1ccc2sc(C(=O)Nc3cc(S(=O)(=O)NC)ccc3C)cc2c1)S(=O)(=O)c1ccc(C)cc1 225853461 MDPHCDLFHOGVTO-UHFFFAOYSA-N 557.719 4.894 0 40 KJAB Cc1cc(=O)oc2cc(O[C@H]3O[C@@H](COS(=O)(=O)O)[C@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)ccc12 253505179 ROFIGSQDRQGRFR-BIMGGBJUSA-N 730.700 4.701 0 40 KJAB biogenic,in-vitro COc1cccc(CN(C(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)c1 260797828 NXGXYUNKUDOPID-XMMPIXPASA-N 557.757 4.724 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 260854870 FYPNTSWYAKZXNY-MUUNZHRXSA-N 630.605 4.779 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1OC 260873196 BGNNSZAEBPPBLO-XMMPIXPASA-N 595.762 4.848 0 40 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CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(Cc4ccccc4Cl)c4ccccc43)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409388534 MFJLAHZCHHSXES-HNWSYWITSA-N 657.192 4.691 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(c2cc(Cl)ccc2C)CC1)c1ccc(C)cc1 409393974 ZPBBKHIDZJPNQR-UHFFFAOYSA-N 542.101 4.818 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc(OC)c3OCc3ccc(F)cc3)C2=O)o1 409400932 VSYGSUIALCSFRC-GRSHGNNSSA-N 514.893 4.539 0 40 KJAB CC(=O)N1CC2=C(C1=O)[C@@H](c1cc3cccc4c3n(c1=O)CCC4)c1cn(CC(C)C)c3cccc(c13)N2 524730201 ZOHGMAJLHXIRSY-SANMLTNESA-N 506.606 4.759 0 40 KJAB biogenic CCn1cc(Cl)c(C(=O)N2CCC3(CCCCOC[C@@H]4CCCN4C(=O)c4cccc(c4)OC3)CC2)n1 643562726 MYZZCIUJVHZHHD-QFIPXVFZSA-N 529.081 4.663 0 40 KJAB COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2cc(C)cc(C)c2)cc1O 906195 ZILUMYIDAGWOOG-SSEXGKCCSA-N 541.652 4.986 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)Cc2ccc(Cl)c(Cl)c2)cc1 1093787 VXAODIJTQSUJRW-UHFFFAOYSA-N 532.493 4.842 0 40 KJAB COc1ccc2[nH]c(=O)c(CN(CCc3ccc(OC)c(OC)c3)C(=O)Nc3ccc(F)cc3)cc2c1 1327465 YJQORRGDVCQCNA-UHFFFAOYSA-N 505.546 4.970 0 40 KJAB COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)N1c2ccccc2C[C@H]1C 1439830 NMPPYLPMIJOXRK-OAHLLOKOSA-N 501.402 4.850 0 40 KJAB CCOC(=O)c1sc(NC(=O)CSc2ncnc3sc4c(c23)CCC4)c(C(=O)OCC)c1C 1772294 INIHHQRZBLOOPC-UHFFFAOYSA-N 505.643 4.634 0 40 KJAB COc1ccc(CC(=O)N[C@H](c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc2Br)cc1OC 1894636 KNZGEXZDLQHESX-HHHXNRCGSA-N 560.441 4.949 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Oc2cc3oc(=O)c(C)c(C)c3cc2Cl)cc1 2095277 ZCAZBKHBMHHVIW-QHCPKHFHSA-N 526.010 4.867 0 40 KJAB biogenic COc1ccc(-n2c(SCC(=O)Nc3ccc(C(=O)O)cc3)nc3sc4c(c3c2=O)CCCC4)cc1 2389023 OPBXSPGRIHKTJY-UHFFFAOYSA-N 521.620 4.764 0 40 KJAB O=C(Nc1nc(-c2cccs2)c(C(=O)C(F)(F)F)s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 3187588 WRXJCKPZUQCZLA-UHFFFAOYSA-N 515.560 4.653 0 40 KJAB COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1OC 3364059 DMANIWVBMYYKEP-UHFFFAOYSA-N 523.592 4.937 0 40 KJAB CC(C)(C)c1ccc(Cn2nnc3c(=O)nc(C4CCN(S(=O)(=O)c5cccc6ccccc56)CC4)[nH]c32)cc1 6161782 KXQZWMGITOSIEC-UHFFFAOYSA-N 556.692 4.582 0 40 KJAB COc1ccc([C@H](C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccc(F)cc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 8695852 ZFROMYYYQKETGP-WJOKGBTCSA-N 594.643 4.838 0 40 KJAB COc1ccc(CCN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)cc1 9428448 UAGYNZUVVPBMNF-DEOSSOPVSA-N 524.042 4.931 0 40 KJAB CCOc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(OC)cc3)c3ccc(OCC)cc3c2=O)cc1 9855966 YUNAKDCUYAGBLV-UHFFFAOYSA-N 500.551 4.677 0 40 KJAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCCCN(C)C)cc1 10111410 UXFRJUMKSJNGRW-UHFFFAOYSA-N 500.064 4.725 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)c1 12563510 CSKQDZBGSZJKOA-UHFFFAOYSA-N 515.031 4.757 0 40 KJAB COc1ccc(CCN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(=O)c2ccc(Cl)cc2)cc1OC 12645660 MHFCEIOHQBGEPV-UHFFFAOYSA-N 520.969 4.813 0 40 KJAB CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 13030111 HQCSGPOBEBISKX-MUUNZHRXSA-N 513.573 4.606 0 40 KJAB CCC[C@H](c1nnnn1C[C@H]1CCCO1)N(Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 33937286 BJOSLKZTPRAMLK-CLJLJLNGSA-N 500.647 4.854 0 40 KJAB CC[C@H](c1nnnn1C1CCCCC1)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 57641284 NLZPZUIRCCASRA-HSZRJFAPSA-N 504.591 4.538 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)Cc3nnnn3Cc3ccccc3)cc2c1 57642839 DGGBFEHGIZOVFP-UHFFFAOYSA-N 515.017 4.817 0 40 KJAB CCOC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC)c(CN3CCN(c4ccccc4OC)CC3)c2)N1 59677268 BUPGXESRUZFQJH-JOMNFKBKSA-N 554.691 4.674 0 40 KJAB biogenic,in-vitro CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccccc1 59887807 GADCOYTZIMHHNB-UHFFFAOYSA-N 565.673 4.720 0 40 KJAB Cc1c(NS(=O)(=O)c2ccc(C(=O)N(C)Cc3cccc(Cl)c3Cl)cc2)c(=O)n(-c2ccccc2)n1C 66123190 OQHMEMOLZHOOGS-UHFFFAOYSA-N 559.475 4.864 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(Cl)cc(C)cc43)[C@@]23C(=O)Nc2ccccc23)c(OC)c1 70705707 JVKNTDSYNORIEP-KDLQGFRMSA-N 558.034 4.680 0 40 KJAB biogenic CCC(C)(C)NC(=O)[C@H](c1cc(OC)ccc1OC)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F 100355618 MDAQWHRGPVUELS-MHZLTWQESA-N 533.604 4.667 0 40 KJAB Cc1c(NC(=O)c2c(N)n(-c3ccc(Cl)cc3)c3nc4ccccc4nc23)c(=O)n(-c2ccccc2)n1C 100867723 MWHSAKLJAFRRKG-UHFFFAOYSA-N 523.984 4.859 0 40 KJAB COc1ccc(NC(=O)[C@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1 101360972 DMXMMMPKGRBCHA-CXSMSNRLSA-N 533.506 4.868 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Br)cc1 101466959 KQYAJZBKEZICAW-BMHXQBNDSA-N 548.220 4.803 0 40 KJAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2)c(NS(=O)(=O)c2ccc(F)c(F)c2)c1 102243466 CTENDCOUIKPCBO-UHFFFAOYSA-N 528.002 4.820 0 40 KJAB COC(=O)c1c(N2C(=O)[C@H]3[C@@H](C(=O)c4cc(OC)ccc4OC)N4C=Cc5ccccc5[C@@H]4[C@@H]3C2=O)sc(C)c1C 102557339 FZXOPJIOGWBRJN-POTDNYQPSA-N 572.639 4.567 0 40 KJAB CCOc1ccc(-n2c(SCC(=O)Nc3nc(CC(=O)OC)cs3)nnc2-c2ccccc2Cl)cc1 103103045 XTFJRWMGDGBEQX-UHFFFAOYSA-N 544.058 4.889 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4cccnc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 103784272 LHHBNMUUKMCVNB-AHNSQEAUSA-N 578.669 4.877 0 40 KJAB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4cc(I)c(OC(C)=O)c(OC)c4)c(=O)n31)c1ccccc1CC2 163202766 BWLABQUVVQVYGJ-LCQSEVKBSA-N 664.521 4.866 0 40 KJAB CCOc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC)cc1OCC 222582595 IHYJTIKYSHGPPF-AREMUKBSSA-N 506.618 4.942 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 222672571 QCEZPKOADMGGMC-FQEVSTJZSA-N 548.920 4.745 0 40 KJAB C[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 222860533 LAKOMEVAXAYVIJ-IBGZPJMESA-N 580.509 4.628 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 222927665 WPNLMUSJNMWIHK-MHZLTWQESA-N 616.180 4.927 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 222951136 MOWKGADYJUYZJJ-XMMPIXPASA-N 521.683 4.524 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223052330 IKUDIAAGHCWQAW-JKSUJKDBSA-N 548.920 4.745 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 223114250 QHBXVSBCEMMOHX-LJAQVGFWSA-N 549.737 4.626 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223147179 WIYMIUIJTUWUSM-JOCHJYFZSA-N 542.101 4.869 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 223218228 KWCKVOZGTHRXCG-SSEXGKCCSA-N 557.716 4.545 0 40 KJAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)s1 223228683 KKKHAYVXMKAXHC-UHFFFAOYSA-N 500.646 4.852 0 40 KJAB COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](Cc2ccccc2)C(=O)NCCCOC(C)C)cc1 223253623 RYKHFXKTSBZQCZ-XIFFEERXSA-N 635.827 4.640 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 223335848 BXEPCBOOJJECSN-ABYGYWHVSA-N 579.763 4.633 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 223460358 PKRUUKGOZKICBC-PMERELPUSA-N 591.680 4.936 0 40 KJAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223463967 FBUNIWVHIJIUDF-PMERELPUSA-N 565.711 4.885 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223668615 QWKZAUVXEREKDA-SANMLTNESA-N 545.746 4.580 0 40 KJAB CCOc1ccc(N(CC(=O)NCCOc2ccccc2C)S(=O)(=O)c2ccc(SC)cc2)cc1 223727532 CDUDIYCNUPWJCQ-UHFFFAOYSA-N 514.669 4.506 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 223750811 XERQHWDPLMSYEU-CYBMUJFWSA-N 555.311 4.620 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223858328 BXPAZZPTVOTMHE-SFHVURJKSA-N 624.518 4.652 0 40 KJAB Cc1ccc(-c2nnc(NC(=O)CN(c3cc(Cl)c(Cl)cc3Cl)S(C)(=O)=O)s2)cc1 224044336 LPNCNDXZDZXOMB-UHFFFAOYSA-N 505.836 4.878 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 224079444 YKENQDXQSSUVCG-DEOSSOPVSA-N 535.710 4.634 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 224203571 SJUUYXXJJGGBHM-NDEPHWFRSA-N 549.737 4.624 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl 224205974 PCVMYBJNYXTCNB-MHZLTWQESA-N 600.181 4.978 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 224289778 RRLUCKTXNKVVGA-VWLOTQADSA-N 572.127 4.796 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 224434872 HQWUPJHNBMKNNC-NDEPHWFRSA-N 567.727 4.709 0 40 KJAB COc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224786277 PLAQNEXFEQRFBA-UHFFFAOYSA-N 561.626 4.806 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 224851194 BLNICJQBTAXAPN-HXUWFJFHSA-N 590.515 4.727 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1OC 224858530 KVOLLKHDCHQFBL-SFHVURJKSA-N 600.565 4.643 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 224961380 ZWGVEMCZLLHCNB-VWLOTQADSA-N 566.164 4.517 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 224965666 JWIGMCNZUKSVMW-GDLZYMKVSA-N 567.727 4.880 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225047013 PGANYEIHXJEZGF-NHCUHLMSSA-N 555.663 4.892 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 225165118 FXFDLLGVGQCNKC-FGZHOGPDSA-N 536.138 4.835 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)cc1 225222118 KRPXOWYEVNLJFR-CLJLJLNGSA-N 501.587 4.773 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O 225301947 FRVDQSCYOQLBCV-SSEXGKCCSA-N 563.764 4.880 0 40 KJAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1 225384250 NBVKNENWYVPCTM-PMERELPUSA-N 579.738 4.844 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 225444575 CJVDSVRBYSRQBC-MHZLTWQESA-N 574.118 4.802 0 40 KJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)cc1NS(C)(=O)=O 225485801 PPBAVLNAXXNMRN-IZZNHLLZSA-N 533.679 4.738 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 225597213 DDEHGAPBGPHOIU-NBGIEHNGSA-N 544.117 4.981 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2c3ccc(Br)cc3C[C@@H]2C)cc1OC 226011390 WKHXPHNHMDAIGH-IBGZPJMESA-N 573.509 4.678 0 40 KJAB COc1cc(CN(C)C(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC 226015798 HJKGMIVCJZHWRM-UHFFFAOYSA-N 567.491 4.869 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](CC)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260769041 VRBYICFHYMXZPT-AREMUKBSSA-N 548.149 4.925 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](CC)C(=O)NC)S(C)(=O)=O)cc1 260853872 BGDDCUOCSUVJCY-HSZRJFAPSA-N 542.529 4.655 0 40 KJAB COc1cccc(N(CCCC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1 260876714 MRDHQOSZTMQLON-GDLZYMKVSA-N 583.726 4.545 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 260904673 FCKMXJRUVGSZEK-AOMKIAJQSA-N 546.492 4.621 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)c1 260915120 RPMMLCLBYZRJHG-RUZDIDTESA-N 535.710 4.688 0 40 KJAB COc1ccccc1N(CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O 260938595 YYPPFRHITBLLBQ-LJQANCHMSA-N 572.555 4.738 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 260956940 KQKBTADWCGQWED-RPBOFIJWSA-N 595.762 4.848 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 261125991 ZYPIFMFJCQHDTN-SVEHJYQDSA-N 607.773 4.825 0 40 KJAB Cc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(C)cc3)cc3cc(Br)ccc32)cc1 408575089 IAKMUAGJXFPXAZ-UHFFFAOYSA-N 505.372 4.982 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2C)cc1 408584735 UJBGLLDNZMPPAU-UHFFFAOYSA-N 502.633 4.580 0 40 KJAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCC(=O)Nc4cc(Cl)c(Br)cc4C)cc3)C(=O)[C@@H]21 408687661 PEWDXQNKDFNJTO-OULKIGNDSA-N 557.828 4.908 0 40 KJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 408691303 ZGPAURXVHIHBJP-IRXDYDNUSA-N 531.790 4.662 0 40 KJAB COc1cccc(N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)S(=O)(=O)c2cc(C)ccc2OC)c1 408711043 PTDUBZCESILSJQ-UHFFFAOYSA-N 558.100 4.518 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408765713 ZORIXLAKXGOPCI-ARLGEPFESA-N 794.405 4.868 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3OC(C)C)c(=O)n2[C@H]1c1ccc(OCC)cc1 408827603 LLGBQFFFKQYSSB-PNZYDNNZSA-N 615.546 4.755 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)c2=O)=N1 408829690 PRPRJFLTLSJSCL-SJXDCSIJSA-N 626.687 4.584 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)c(=O)n2[C@H]1c1ccccc1OC 408864628 XPMBUWVXNUYTIV-LCQSEVKBSA-N 663.546 4.847 0 40 KJAB CCOC(=O)c1ccc(COc2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(OCC)c(OCC)c3)C(C(=O)OC)=CN=4)cc2)cc1 408934667 CSNQKJWYIIETOD-QOKZYVIKSA-N 642.730 4.571 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5cccc(Cl)c5)o4)c(=O)n32)cc1OCC 408935736 NLYXSUPRNOWLIY-MLGNGQMDSA-N 565.047 4.729 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)c(=O)n2[C@H]1c1ccc(C)cc1 409007979 SOPCUXBBSHAOHY-PSAPEEBNSA-N 595.721 4.741 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4ccccc4OC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409011655 GZNUQKKRELYLDU-UFKHLRDRSA-N 671.772 4.622 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(SC)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409090061 OJLKSDCERHJTEO-MGXIGDRJSA-N 557.741 4.987 0 40 KJAB Cc1ccc(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(C)c1 409121096 VWWBJJPZFCWNPL-UHFFFAOYSA-N 520.392 4.742 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccccc1 409164936 PYZVTHGDRYWEAA-WYMPLXKRSA-N 518.547 4.678 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C3/C(=O)N(Cc4ccc(Cl)cc4)c4ccccc43)c2=O)=N1 409390253 UEEOCTWHQYBGMT-IQKFOVTFSA-N 642.133 4.878 0 40 KJAB COc1ccc(CCNC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)cc1OC 409409329 HPUCIWYIRXOQFN-UHFFFAOYSA-N 523.438 4.565 0 40 KJAB COC(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O 524730802 XSWHFVJCMPNOSM-HFJWLAOPSA-N 547.482 4.923 0 40 KJAB biogenic CN(Cc1ccccc1)C(=O)C[C@]1(COc2ccc(Cl)cc2)CN(C(=O)CCn2ncc3ccccc32)CCO1 585287144 UTLPNAHHACRBLO-WJOKGBTCSA-N 561.082 4.805 0 40 KJAB CC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)Cn3cc(C(F)(F)F)cn3)Cc3ccccc31)N2Cc1ccccn1 2037940858 UZLIFRIRNMMSHA-FTJBHMTQSA-N 554.617 4.506 0 40 KJAB O=C(Nc1nnc(SCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)s1)c1ccccc1Cl 624718 KGIQRXRGLFGTOO-UHFFFAOYSA-N 508.456 4.538 0 40 KJAB CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)sc2c1CCN(C(C)C)C2 3007155 LEBILJQCHCGVBU-UHFFFAOYSA-N 547.743 4.897 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)c2)cc1 3340745 AXPNAJOOKUXSOW-UHFFFAOYSA-N 554.650 4.762 0 40 KJAB Cc1cccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N(CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 6443762 AWIAWYZYPVBTFB-OFSOJUDTSA-N 534.664 4.836 0 40 KJAB CCOC(=O)[C@H](Cc1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O 8687138 YHKZOHRPIVLBFT-MHWRBNPYSA-N 587.632 4.867 0 40 KJAB aggregator Cc1cccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)c(F)c3)CC2)c1C 8810160 CUWRRJHKFAYOPS-UHFFFAOYSA-N 502.011 4.859 0 40 KJAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3C[C@H]2C)cc1 10327099 CQTLKWHLIWOXAN-HXUWFJFHSA-N 510.059 4.751 0 40 KJAB Cc1c(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C 12624570 LXHCULGRSIEGOQ-SFHVURJKSA-N 516.652 4.913 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1OC 15988981 LXAIVCHHSHJWRD-QUMGSSFMSA-N 514.965 4.756 0 40 KJAB CCOC(=O)c1sc2sc(C(=O)OCC)c(CN3C[C@H](C)O[C@H](C)C3)c2c1CN1C[C@H](C)O[C@H](C)C1 17594849 VRPXANKHBJINKX-USTZCAOPSA-N 538.732 4.535 0 40 KJAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N(Cc3ccc(F)cc3)Cc3ccco3)cc2c1 20082299 LGZIRDGJQXQINT-RPLLCQBOSA-N 528.588 4.526 0 40 KJAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N(Cc3ccccc3)Cc3cccnc3)cc2c1 20083860 IZUCMVSQGAFSBL-MUUNZHRXSA-N 521.625 4.825 0 40 KJAB COc1cc(C(=O)N[C@@H]2CCCc3ccccc32)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC 22254745 SUVHRVUCNPGMNG-HSZRJFAPSA-N 512.603 4.617 0 40 KJAB C[C@]12C=C/C(=N\OCC(=O)N[C@H](C(=O)O)c3ccccc3)C=C1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 35361498 ANJVUOUTSWDMRC-QGTDUJMCSA-N 506.643 4.791 0 40 KJAB biogenic CC1=C[C@@H](CN2CCN(c3ncccn3)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(N(C)C)cc2)o1 67890463 XJJMPPBULJXHLH-KLJDGLGGSA-N 515.706 4.812 0 40 KJAB biogenic,in-vitro COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1Br 97956821 KJJTUPJZCTZNDA-HSZRJFAPSA-N 525.403 4.890 0 40 KJAB CCOc1ccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1Br 100050249 QGXCUANFOMAMHJ-UHFFFAOYSA-N 554.791 4.895 0 40 KJAB COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 101097109 GLCNHWBHNNLGNE-PKTNWEFCSA-N 520.541 4.966 0 40 KJAB CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N12)C(=O)Nc1cccc(C)c1 101385875 JSOINJDDWYAJHN-WUFINQPMSA-N 594.741 4.843 0 40 KJAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@]1(CC(O)=N2)C(=O)N(CC(C)C)c2c(Br)cc(Cl)cc21 101411831 YTXPRXPOFMOMIF-QHCPKHFHSA-N 555.824 4.543 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 101700722 AMZNDRLRJHDNLV-UHFFFAOYSA-N 543.645 4.502 0 40 KJAB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@H]3C2=O)cc1 102888610 DBDWNCIYSTXCGQ-ULNSLHSMSA-N 550.567 4.974 0 40 KJAB CCCCn1c(CCC(=O)Nc2nc3ccc(CC)cc3s2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 103000754 UJZBIZZONIKERL-UHFFFAOYSA-N 555.726 4.601 0 40 KJAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(Br)cc(C)c3OC)cc2Cl)CC1 105316817 IORZLJXCNVUBTC-UHFFFAOYSA-N 567.937 4.995 0 40 KJAB CCCCCCCCOc1ccc(/C=C2\SC(=S)N([C@@H](CCC(N)=O)C(=O)O)C2=O)cc1OCC 110708422 KJEJRLFMIDLNMK-RWZYYMRUSA-N 522.689 4.745 0 40 KJAB O=C(N/C(=C\c1ccc(SC(=S)N2CCOCC2)o1)C(=O)N1CCN(/C=C\c2ccccc2)CC1)c1ccccc1 113561152 HIIHDHQGPVNGPB-PRWWZWSXSA-N 588.755 4.575 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(OC(C)C)cc2)c2cc(Cl)ccc2OC)cc1OC 113933799 SNFPWLUSRDPUGU-UHFFFAOYSA-N 563.072 4.665 0 40 KJAB O=C(C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 150380332 YOPNAABTCPHLKW-AJQTZOPKSA-N 652.700 4.777 0 40 KJAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)cc2)cc1 216495845 OAFJOYMZKYDCNJ-UHFFFAOYSA-N 568.702 4.682 0 40 KJAB CCC1=NN(c2ccccc2)C(=O)[C@@H]1[C@]1([C@@H]2C(=O)N(c3ccccc3)N=C2C)C(=O)N(c2ccccc2)N=C1C 221965314 SBEUYIHTWADGOD-PZXMZKPCSA-N 532.604 4.863 0 40 KJAB C[C@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 222660553 AXMATXGEJWSZKF-KRWDZBQOSA-N 520.529 4.549 0 40 KJAB C[C@@H](C(=O)NCCC1=CCCCC1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 222719762 KLRPUANKKWYMPC-VWLOTQADSA-N 551.753 4.828 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223022481 GDBNJHFIHCFCAA-XMMPIXPASA-N 641.787 4.558 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 223047648 KROFWKYEPCENOZ-JOCHJYFZSA-N 616.578 4.823 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 223230795 FVOKGAOYCFZWHI-NRFANRHFSA-N 522.111 4.528 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](Cc2ccccc2)C(=O)NCCC(C)C)cc1 223236596 KLYPNTDAJGPDFP-WJOKGBTCSA-N 593.790 4.728 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 223240489 OPLIYDYKTZUPGS-LJAQVGFWSA-N 549.737 4.661 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 223353639 FRSNAMRZJFDTHO-HHHXNRCGSA-N 556.128 4.662 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 223562696 ZIESKFLGTJPAKL-VWLOTQADSA-N 606.970 4.645 0 40 KJAB CCOc1ccccc1N(CC(=O)NCCOc1cc(C)ccc1C)S(=O)(=O)c1ccc(SC)cc1 224000104 DFLHTKCXOYEFHD-UHFFFAOYSA-N 528.696 4.815 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O 224005007 JTLJOXRLDSFMBC-KRWDZBQOSA-N 530.452 4.846 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 224053726 GUCQAIORUVUVHX-DEOSSOPVSA-N 593.746 4.684 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 224083172 FRBFMQFALFWSTJ-VWLOTQADSA-N 535.710 4.688 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 224140859 WOPKTNVMTVIBJP-LJAQVGFWSA-N 567.727 4.847 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 224217539 VEHSZIZUZHDCFN-HHHXNRCGSA-N 570.155 4.889 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224347570 WDFIOUROYMYIDB-QFIPXVFZSA-N 562.054 4.849 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 224458347 BMBADOWWCYVALF-QFIPXVFZSA-N 572.127 4.733 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224525507 DKBTUVQDGQXPJR-MHZLTWQESA-N 572.127 4.796 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3nnc(-c4ccccc4)s3)Oc3ccc(Cl)cc32)cc1 224598208 UZWIFPYTVWHSLG-NRFANRHFSA-N 527.027 4.762 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224624343 YMFOGPKJPZVPQJ-LJAQVGFWSA-N 579.763 4.633 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 224626863 SNLWXSVDZWWXPR-MUUNZHRXSA-N 541.758 4.758 0 40 KJAB 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408650335 MIWPNGONDPUDDL-KDURUIRLSA-N 503.780 4.518 0 40 KJAB CCc1cc(Br)ccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C=C4C)[C@H]3C2=O)c1 408685591 LSXIVXNOHIARJW-GSGKNRHYSA-N 537.410 4.509 0 40 KJAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccc(Br)c(Cl)c4)cc3)C(=O)[C@@H]21 408686953 NXBPKBCYOMFPME-GQNMWPQZSA-N 531.790 4.600 0 40 KJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1 408695171 LVBYWQUZGCRERD-UHFFFAOYSA-N 576.140 4.938 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1 408701743 DXQDOCJLBQGHIA-UHFFFAOYSA-N 571.721 4.786 0 40 KJAB CN(c1cccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)c1)S(C)(=O)=O 408711208 ICHZDRSYUSAMQC-UHFFFAOYSA-N 556.493 4.608 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(OC)cc4)cc3)c(=O)n2[C@H]1c1ccccc1OCC 408739005 RDUQRRVAOJVNOE-DDBFQISPSA-N 584.694 4.785 0 40 KJAB CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC 408774937 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COc1cccc(N(C(=O)CCC(=O)NCc2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 13534130 LFBPZVIQBVVPPA-MUUNZHRXSA-N 521.589 4.657 0 40 KJAB CCCCc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 16042466 PCAZNNXKBHZKGO-CMTIAEDTSA-N 512.654 4.570 0 40 KJAB biogenic Cc1ccc2oc3c(c(=O)c2c1)[C@@]1(C(=O)N(Cc2ccccc2F)c2ccccc21)N(C[C@@H]1CCCO1)C3=O 16806232 RVROVQPLUJGUAE-GEFUHLBYSA-N 524.548 4.666 0 40 KJAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 19855895 SDGVCTNJLCTLBF-UHFFFAOYSA-N 507.395 4.922 0 40 KJAB CCN(c1ccc(OCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1)S(=O)(=O)c1ccc(C)cc1 19938056 QNFPOEOGDDFPKD-UHFFFAOYSA-N 519.019 4.898 0 40 KJAB O=c1[nH]c(=O)n(CCc2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(CCc1ccccc1)N2 20267788 GJZHTKBHKLONJY-UHFFFAOYSA-N 510.438 4.556 0 40 KJAB COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1cccc2c1OCO2 31819769 DAHDJDTZQFRJDS-UHFFFAOYSA-N 527.577 4.945 0 40 KJAB CCOC(=O)CSc1nc2ccc(NC(=O)CSc3nc4sc5c(c4c(=O)n3C)CCCC5)cc2s1 33353845 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C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2cccc3cccc1c23 224104247 FKFFIYYGVOLSHC-KRWDZBQOSA-N 522.443 4.895 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(Cl)cc1 224537201 WQLBFMFRCMWSEF-SANMLTNESA-N 602.153 4.886 0 40 KJAB Cc1ccccc1OCCNC(=O)c1ccc(CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 224716469 QGBSKXIRPWOKOE-UHFFFAOYSA-N 506.546 4.789 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3cccc(CN4CCOCC4)c3)ccc2Cl)c1 224723855 INXKJTXDXVWAOU-UHFFFAOYSA-N 528.074 4.520 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 224800136 SWYZPLMKXCVKIQ-SFHVURJKSA-N 570.539 4.634 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc(F)cc1 224901773 UJYDOTZBCGQHIC-NDEPHWFRSA-N 586.129 4.944 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1 224910758 HXJSYINTOMLHDQ-NDEPHWFRSA-N 570.155 4.888 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224991491 BYTKGQAOOCIGBD-OAQYLSRUSA-N 648.178 4.513 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 225292280 AXKBCYGECWYDQF-RTBURBONSA-N 542.529 4.708 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 225375572 OBAFSLBEYFDLEC-GDLZYMKVSA-N 549.737 4.759 0 40 KJAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3cccnc3)c2C)ccc1NS(C)(=O)=O 225447104 NHJYWLIDIKXAGJ-SVBPBHIXSA-N 546.722 4.800 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225513031 HNOKYMFACZOFQB-LJAQVGFWSA-N 625.763 4.700 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 225686036 MANXCWLOZVAAGP-QFIPXVFZSA-N 587.689 4.748 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](CC)C(=O)NC(C)C)S(C)(=O)=O 260707609 OYWDRSKJWWXPDJ-HSZRJFAPSA-N 552.137 4.617 0 40 KJAB 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409026408 OGKLIPDHVWFFDM-UHFFFAOYSA-N 505.640 4.892 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2Cl)c2ccccc2OC)cc1 409028794 SQUDZALJBYJJCD-UHFFFAOYSA-N 535.087 4.602 0 40 KJAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)C1=O 409048044 QOZYJEVAUMCENI-UDWIEESQSA-N 624.453 4.615 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(C(=O)OC)cc5)o4)c(=O)n32)cc1 409050364 VAWCWHYAYCYIMX-XQNWCSQWSA-N 586.666 4.632 0 40 KJAB CCOc1ccc(Cl)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)N(CC)CC)=C(C)N=2 409093753 AXYXPLQUMSADBG-WLGHQHAYSA-N 544.504 4.809 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc24)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC 409101460 UCQDFHUCBJZCAI-KKGHXWGNSA-N 769.658 4.821 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 409411304 FRDZDUCBCPACOY-UHFFFAOYSA-N 551.646 4.858 0 40 KJAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(Cc3ccccc3)CCCN(C(C)=O)c3ccc(-c4cccnc4)cc3C2)cc1 643565919 MSOITTOAELBEHD-UHFFFAOYSA-N 639.822 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O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1cc(C(=O)O)ccc1Cl)NCc1ccc2c(c1)OCO2 3341467 JHGNKXVAPOUVTJ-UHFFFAOYSA-N 571.822 4.585 0 40 KJAB CC(C)(C)NC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)c(Cl)c1 6074864 FOYKVVKTEPTRQM-SFHVURJKSA-N 538.432 4.573 0 40 KJAB COc1cc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc(SC)nn32)cc(OC)c1OC 8592282 LSYYZUKYUHNSIT-LJQANCHMSA-N 501.996 4.607 0 40 KJAB COc1ccc(CCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc1 8740079 QBLKQTWGJQNKCE-DEOSSOPVSA-N 518.610 4.526 0 40 KJAB biogenic CCc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccccc2F)cc1 11917006 FMRSHOQIFFCCCM-UHFFFAOYSA-N 508.575 4.634 0 40 KJAB COC(=O)c1c(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4ccccc4)[C@H]3C2=O)sc2c1CCCC2 12017562 SZKOLGDUOUMZTP-TZRRMPRUSA-N 502.592 4.773 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(Cc1ccccc1Cl)C(=O)Cn1nnc2ccccc21 13023691 QMKUHEVPAJZUDR-RUZDIDTESA-N 505.022 4.555 0 40 KJAB CCOc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC(C)(C)CC)c1ccc(O)cc1 13032358 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CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 223488922 AGCVNNGTGXHMOQ-NRFANRHFSA-N 562.947 4.989 0 40 KJAB COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)cc1 223569194 VLWBPBVKBPUGCH-IAPPQJPRSA-N 507.030 4.956 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 223618948 LJOXVVDQUATPKI-HHHXNRCGSA-N 604.556 4.738 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 223636829 CXHIHGWLUBFQQA-MHZLTWQESA-N 595.762 4.930 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 223784461 FVGBZEKLQZUZLD-FQEVSTJZSA-N 576.090 4.545 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 223854571 XWWVEEORYVQOSW-HSZRJFAPSA-N 569.699 4.672 0 40 KJAB CCc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 224081007 LJCRVEMBPKREQM-VWLOTQADSA-N 561.748 4.963 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 224090294 VBGBACNANNOQGO-SFHVURJKSA-N 574.065 4.643 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)COc1ccc(I)cc1 224192402 GUOMPHACNTZNHD-HSZRJFAPSA-N 534.438 4.845 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 224258388 PSZPBBJOQLRWIF-XMMPIXPASA-N 534.122 4.589 0 40 KJAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 224600654 TWRZYWVKYYCWBT-MHZLTWQESA-N 556.128 4.830 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)C)c2ccc(F)cc2)cc1 224621996 XJAPMLRLXATSFF-NRFANRHFSA-N 560.091 4.925 0 40 KJAB COc1ccc(OCCNC(=O)c2ccc(CN(c3cccc4ccccc34)S(C)(=O)=O)cc2)cc1 224685389 JTFYNKLLUGJUTA-UHFFFAOYSA-N 504.608 4.623 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224940056 UBONJMBQWGUYEB-SANMLTNESA-N 593.643 4.775 0 40 KJAB 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CCc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 261077183 QRLOPEBWFWWONR-GDLZYMKVSA-N 563.764 4.878 0 40 KJAB CC[C@H]1C(=O)N[C@@H](CC2=N/C(=C/c3[nH]c(C[C@@H]4NC(=O)[C@H](C)[C@H]4CC)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)[C@@H]1C 299888287 DEEUSUJLZQQESV-SJQNMOGKSA-N 594.753 4.571 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)CC1 408536519 ZZHBBJBWDHDSFH-QGZVFWFLSA-N 530.905 4.705 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)c2ccc(F)cc2)cc1 408615316 OTVKAXPKGHKYKQ-UHFFFAOYSA-N 509.603 4.594 0 40 KJAB CCOC(=O)Cn1cc(/C=C(\Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)O)c2ccccc21 408630744 CIYFEPNGGRKMLP-JMIUGGIZSA-N 512.975 4.869 0 40 KJAB C[C@@H](NC(=O)COC(=O)CCCCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccccc1 408676020 CNKCCNHSFJAAGB-NWBWSKIJSA-N 550.655 4.860 0 40 KJAB C[C@@H](C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704582 PZKOFRULCWPECM-INIZCTEOSA-N 502.976 4.697 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3c(C)[nH]c4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408831619 RHAZGGWKHDBAOS-JAORQVBISA-N 545.970 4.784 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408869424 DJDKRTFFRYIRRO-FHQMNNMHSA-N 693.572 4.855 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OC)c4C)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409046448 RIJGJOADZNCEHX-OBDCIHEFSA-N 630.719 4.949 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409101802 YVYCSJRBERNOGJ-FGGAIWKESA-N 544.902 4.520 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)O)c(Cl)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409106650 OPUOPJMIJKBLAY-AGIMELGASA-N 608.931 4.527 0 40 KJAB CCc1ccc(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 409116398 NQBFPXZSXRIYDZ-UHFFFAOYSA-N 520.392 4.688 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O)N1CCOCC1 409128553 PMGFSCJZGQHXOK-YBFXNURJSA-N 525.385 4.607 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)sc2c1CCCC2 409128711 KRUMJHAHWLNEEM-UHFFFAOYSA-N 572.705 4.963 0 40 KJAB COc1ccc(CCc2nc(N3CC[C@@H]4[C@@H](C3)[C@@H](c3ccc(F)cc3)CN4C(=O)C(C)C)ncc2C(=O)O)cc1 409412947 SZGDJNDECWZYOM-FULLSBAXSA-N 546.643 4.585 0 40 KJAB COC(=O)C[C@H](c1ccc(OC(F)(F)F)cc1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O 524730804 XSWHFVJCMPNOSM-WXTAPIANSA-N 547.482 4.923 0 40 KJAB biogenic COc1ccccc1CC(=O)N1CCCC[C@@H]2CN(c3ncc(C(=O)O)c(CCc4cccc(Br)c4)n3)C[C@H]21 585266119 LPMIVLLMZHUJPE-ATIYNZHBSA-N 593.522 4.791 0 40 KJAB Cc1ccccc1CCc1nc(N2CCC[C@@H]2c2ccc(Cl)cc2)ncc1C(=O)N1CCN(CCN(C)C)CC1 585266639 JRGLKFSYWXVFAV-SSEXGKCCSA-N 561.174 4.885 0 40 KJAB CN(Cc1ccccc1)C(=O)C[C@@]1(COc2ccc(Cl)cc2)CN(C(=O)CCCc2ccncc2)CCO1 585285799 MQEJRISUFAXPAK-PMERELPUSA-N 536.072 4.783 0 40 KJAB Cc1ccc(N(C(=O)Cn2nnc(-c3cccs3)n2)[C@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c(C)c1 887572 NAAQPTOTKYCQKJ-NDEPHWFRSA-N 552.660 4.815 0 40 KJAB Cc1cc(C)c2[nH]c(=O)c(CN(CCc3ccccc3C)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2c1 924920 WORNJXSRCJBCPD-UHFFFAOYSA-N 518.635 4.658 0 40 KJAB CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1cccs1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 1374993 HWZAEOIPNURTSP-RUZDIDTESA-N 544.681 4.990 0 40 KJAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2NC(=O)c2cccc(F)c2)c(C)c1 1423225 WKLYHNZYRCDVMP-JOCHJYFZSA-N 525.005 4.772 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Oc2cc3oc(=O)c4c(c3cc2Cl)CCC4)cc1 1775979 BKOGFCRLNWQZHN-NRFANRHFSA-N 504.004 4.542 0 40 KJAB CCOC(=O)c1c(NC(=O)Cn2cnc3scc(-c4ccc(OC)c(OC)c4)c3c2=O)sc(C)c1C 1892839 FEJKDKOPGOHDMT-UHFFFAOYSA-N 527.624 4.636 0 40 KJAB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1c(C)nn(Cc2c(Cl)cccc2Cl)c1C 3374447 GDLCCXMLSBWBRA-UHFFFAOYSA-N 504.370 4.827 0 40 KJAB Cc1ccc(S(=O)(=O)NC(=O)NCc2c(Cl)cccc2O[C@@H]2C[C@@]3(C(C)C)CC[C@]2(C)O3)cc1 4110235 OPXMGVHZCQCBFH-PZUNEJSGSA-N 507.052 4.952 0 40 KJAB O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(O)cc(S(=O)(=O)O)c(N=Nc3ccc(C=Cc4nc5ccccc5[nH]4)cc3)c2c1 4261446 XRPGAYSKLWNGNM-UHFFFAOYSA-N 630.638 4.748 0 40 KJAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCC(Cc2ccccc2)CC1 6149092 MZYPUBJWTJDBFX-HHHXNRCGSA-N 530.673 4.721 0 40 KJAB O=C(NN1C(=O)[C@@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C1=O)c1cccc(Br)c1 8691715 RXVFDTUMGMCGSZ-MOUTVQLLSA-N 501.380 4.833 0 40 KJAB O=C(Nc1ccc2c(c1)OCO2)[C@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 8712992 WBGLAWWXZXNNHC-LJAQVGFWSA-N 537.551 4.708 0 40 KJAB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1cc2ccccc2oc1=O 8921004 BGRZDDMYJAAULU-SANMLTNESA-N 504.336 4.563 0 40 KJAB Cc1ccccc1NC(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2c3c(sc21)COC(C)(C)C3 9428530 MNJKHFPYRFBBKO-UHFFFAOYSA-N 510.015 4.666 0 40 KJAB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cc3ccccc3c(Br)c2OC)CC1 9908018 PGVWCICALLKABY-UHFFFAOYSA-N 526.431 4.792 0 40 KJAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3nc(-c4cccs4)cc(C(F)(F)F)c3s2)cc1 13015665 UDJDGTGKUSYGIN-UHFFFAOYSA-N 512.560 4.941 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1OC)C(=O)Cn1nnc2ccccc21 13024699 WVZMCJFQAACILZ-HHHXNRCGSA-N 517.605 4.654 0 40 KJAB C[C@H]1CN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3Cc3cccnc3)c2)C[C@@H](C)O1 13779346 QXYPJCSAXAIXNY-GIHDVYHASA-N 520.680 4.690 0 40 KJAB O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(Br)cc1 14223848 YVMKDLMQMKUONG-UHFFFAOYSA-N 501.811 4.704 0 40 KJAB Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)[C@H](C)Oc4ccc(Cl)cc4Cl)cc3)nn12 16363516 YVMANKRNLAQPOB-JTQLQIEISA-N 507.428 4.749 0 40 KJAB CCCNS(=O)(=O)c1cccc2c(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)cccc12 19204317 YJHCWBPILZNINF-AREMUKBSSA-N 515.635 4.508 0 40 KJAB CCOc1cccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 24193202 BVDSUNAVQUMZDQ-HXUWFJFHSA-N 512.609 4.693 0 40 KJAB Nc1nc(SCC(=O)Nc2cc(Cl)ccc2Cl)ncc1S(=O)(=O)c1ccc(Cl)s1 45925049 QYVQZCQQWGATTJ-UHFFFAOYSA-N 509.849 4.644 0 40 KJAB CCOc1cc(C(=O)NC(=S)NCc2ccc(-c3nc4ncccc4o3)cc2)cc(OCC)c1OCC 57327722 CTAQUOSXIYHNCE-UHFFFAOYSA-N 520.611 4.890 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)cc2)cc1 59888464 LNDZQZABFWHJMD-UHFFFAOYSA-N 551.646 4.573 0 40 KJAB CC(C)c1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)cc1 70687403 BGDGHNJCAWPRPV-NDEPHWFRSA-N 589.737 4.721 0 40 KJAB biogenic COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H]3c4ccccc4C(=O)N23)cc1 70704423 OFQWMESWISLLSP-MZSJJGOWSA-N 584.676 4.690 0 40 KJAB biogenic C[C@H](CCc1ccccc1)N[C@H](C)[C@H](O)c1cc(I)c(O)c(I)c1 72266818 RFIXURDMUINBMD-VFVRVIDISA-N 551.206 4.634 0 40 KJAB in-man CCC[C@H](NC(=O)Cc1c(C)c2cc3c4c(oc3cc2oc1=O)CCCC4)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 97957053 FMEYMTOCQIZFHP-RRPNLBNLSA-N 597.668 4.847 0 40 KJAB CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2c1CCN(Cc1ccccc1)C2 97963456 KLNLFJPECKQSSJ-UHFFFAOYSA-N 553.706 4.520 0 40 KJAB COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)cc1 98046196 RTEYAKPDKWUWMA-MKWGYRPRSA-N 530.049 4.844 0 40 KJAB COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(OC)c(OC)c2)cc1OC 100292845 IKBPVAQGPUAMEI-XIFFEERXSA-N 615.731 4.727 0 40 KJAB Cc1ccsc1[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccccc1Cl)C(=O)Cn1nnc2ccccc21 100336056 SPVLDWBVDJQNKW-CPJSRVTESA-N 538.073 4.520 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2C)c(OC)c1 100365620 ODYMYPPPLCNNHI-PMERELPUSA-N 541.652 4.899 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2Cc2ccccc2)sc2c1CCCC2 100817260 VYYCLVMJEPXSTG-UHFFFAOYSA-N 619.769 4.869 0 40 KJAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccc(I)cc3C)c2)cc1 103086300 CVFSXFMSNWYQSV-UHFFFAOYSA-N 578.428 4.529 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C/c3cc(Br)c(Br)o3)c2=O)=N1 103903801 LTDIZEQZKLCLSV-VOMPUTFMSA-N 610.324 4.705 0 40 KJAB CCOc1cc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc(OCC)c1OCC 105353043 HLFTVFGZUZCTJC-UHFFFAOYSA-N 564.001 4.929 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4Cl)c3)c(=O)n2[C@H]1c1ccccc1 107752629 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Cc1ccc(Cl)cc1N1CCN([C@@H](c2cc3cccc(C)c3[nH]c2=O)c2nnnn2C2CCCC2)CC1 19941571 ZCLKDYPDNSJJEN-SANMLTNESA-N 518.065 4.812 0 40 KJAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1Cl 20006553 YDIJSSSIFQYQIH-KSFYIVLOSA-N 507.439 4.769 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3cccc(Br)c3)cc2)cc1 20020372 PZACLCOQXFIELK-INIZCTEOSA-N 519.417 4.515 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 20235848 DYNBUEPQBLDUBK-UHFFFAOYSA-N 504.992 4.508 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)c2ccc(C)cc2)cc1Br 20239901 MBSDETPTWIDZNY-GOSISDBHSA-N 517.445 4.839 0 40 KJAB COc1cc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCCCC3)n2)cc(OC)c1OC 21260939 XUGGGQWIRWMJME-UHFFFAOYSA-N 511.423 4.503 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C 22268433 XBSSLLJDYLWSBK-QFIPXVFZSA-N 506.546 4.941 0 40 KJAB COC(=O)c1ccccc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 22276879 JLQRVAWYXPNJOI-UHFFFAOYSA-N 506.502 4.634 0 40 KJAB Cc1ccc(S(=O)(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)c2cccc(C(=O)N3CCOCC3)c2)cc1 29748896 KLPXNLQGKALKOF-MHZLTWQESA-N 583.710 4.832 0 40 KJAB CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(Br)ccc3Cl)cc2)CC1 32125297 BHECGTAPNYPJJS-UHFFFAOYSA-N 523.884 4.534 0 40 KJAB COc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNCCc4ccc(OC)c(OC)c4)cc23)cc1 35533919 LKMBTVHTHJBKHQ-UHFFFAOYSA-N 510.594 4.739 0 40 KJAB CCOC(=O)c1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)c1 44843529 BUWLPBYMUGCFMB-UHFFFAOYSA-N 513.443 4.659 0 40 KJAB CCN(Cc1ccccc1)[C@H](c1cc2c(C)cc(C)cc2[nH]c1=O)c1nnnn1Cc1ccc(OC)cc1 57589892 HCHMGOFEEKWLOV-MUUNZHRXSA-N 508.626 4.800 0 40 KJAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N(Cc1ccco1)C[C@@H]1CCCO1 57608554 BSSQGCGQMISPMD-WIOPSUGQSA-N 504.635 4.640 0 40 KJAB COc1cc(-c2nn(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=S)o2)cc(OC)c1OC 62644312 IIHFZYSFYVMRQP-UHFFFAOYSA-N 510.538 4.697 0 40 KJAB O=S(=O)(c1ccc(F)c(F)c1)c1cnc2ccc(F)cc2c1N1CCCC[C@H]1CCN1CCOCC1 71775283 ZXSZUBKSMBIADP-IBGZPJMESA-N 519.589 4.566 0 40 KJAB COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)c3ccccc3)cc2)cc1 97945570 RHMQNVPROQUPSC-FQEVSTJZSA-N 531.561 4.658 0 40 KJAB COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2ccccc2N(C(=O)Cc2ccccc2)C1(C)C 97996168 VVNJNCONZYORMR-UHFFFAOYSA-N 667.783 4.846 0 40 KJAB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C1=O 101144460 XPIBMGMTTNTAFQ-FCEKVYKBSA-N 540.597 4.814 0 40 KJAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(OC)c(S(=O)(=O)Nc3cc(Cl)c(OC)cc3OC)c2)cc1 102990496 YCQRSESGFLYSBD-MRXNPFEDSA-N 577.055 4.913 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1Br 103542694 IJVNYPCZZSFRME-WSEBHVOGSA-N 571.427 4.933 0 40 KJAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N32)cc1Br 104033506 BCWAGZLJZMIMNZ-ORZNUPDKSA-N 587.426 4.502 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N[C@@H]3CCOC(C)(C)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 108450220 DMCANCKZKSVWFH-BVAGGSTKSA-N 609.764 4.909 0 40 KJAB biogenic CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 108489994 WDKQMFMJBQXXTM-CLNXTWJPSA-N 606.656 4.902 0 40 KJAB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(Br)cc1OCc1ccccc1F 137581865 CWEIVWFCWZWVBH-JJFYIABZSA-N 511.372 4.946 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 222503202 QRLKPVIMCXWLFX-LJQANCHMSA-N 578.518 4.669 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1 222645171 IIMBFBQQFYTKSJ-QHCPKHFHSA-N 535.710 4.776 0 40 KJAB CCOC(=O)C1(c2ccc(NC(=O)CCc3ccc(S(=O)(=O)N[C@@H](C)c4ccccc4)cc3)cc2)CC1 222858914 VGOUVPFDMFRWTB-NRFANRHFSA-N 520.651 4.892 0 40 KJAB COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 222951033 PBJSGNQNEBBLSV-QHCPKHFHSA-N 598.165 4.799 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 222988824 OZTIPZORFBCMPZ-HHHXNRCGSA-N 535.710 4.669 0 40 KJAB COc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1C(C)C 223339963 ZKXJNNAJSHZEIW-LADGPHEKSA-N 500.705 4.979 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 223356296 QQEUEYYLHUZKFC-HHHXNRCGSA-N 556.128 4.517 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 223863293 WDYNRQFKYANGEC-QHCPKHFHSA-N 599.725 4.599 0 40 KJAB O=C(O)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 223946051 TUYGBNRMVCIMJY-KAYWLYCHSA-N 525.634 4.584 0 40 KJAB COC(=O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 223956746 SZVWURJTTQLXGK-VSGBNLITSA-N 539.661 4.673 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 223982628 BYXMUEVGELDRMH-SKCUWOTOSA-N 616.180 4.678 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 224002870 QXGUUXPMTUGSDN-AREMUKBSSA-N 576.546 4.926 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 224031150 RYTJCEAQBRYKJR-QHCPKHFHSA-N 611.736 4.904 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 224337305 BUVZYRFHDBYXDT-JOCHJYFZSA-N 542.529 4.792 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224451336 WYUVZAANIHHGAO-MUUNZHRXSA-N 672.642 4.933 0 40 KJAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 224617921 KWBNAERIHDEHAZ-SANMLTNESA-N 560.091 4.660 0 40 KJAB O=C(Nc1nnc(SCc2ccccc2)s1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 224625042 POVDGMQFUVFGKR-SFHVURJKSA-N 523.105 4.664 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 224639535 AIJLCZMBYXTGNP-XMMPIXPASA-N 535.710 4.696 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 224714446 YUUZDJPYCCWOAQ-QHCPKHFHSA-N 539.673 4.581 0 40 KJAB COc1ccc(Cl)cc1N(Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1)S(C)(=O)=O 224761689 HNZGROUPSROBNH-UHFFFAOYSA-N 523.438 4.777 0 40 KJAB Cc1ccc(OCCNC(=O)c2ccc(CN(c3ccc(F)c(Cl)c3)S(C)(=O)=O)cc2)c(C)c1 224810619 KZRLHLLXOJMZMI-UHFFFAOYSA-N 505.011 4.871 0 40 KJAB COc1ccccc1OCCNC(=O)c1ccc(CN(c2c(C)cccc2C(C)C)S(C)(=O)=O)cc1 224859686 VRAKNAVIDLDBLO-UHFFFAOYSA-N 510.656 4.902 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)cc1C 224948265 QMEYUACWJBPHSB-PMERELPUSA-N 579.738 4.907 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 225048559 ZVCFPIXEODNDHJ-SANMLTNESA-N 527.731 4.634 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 225139013 DCXGVDPGCSRODW-SANMLTNESA-N 548.149 4.979 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 225141446 JDIHCJXHSAXNNN-NDEPHWFRSA-N 553.700 4.971 0 40 KJAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccccn2)cc1OC 225196661 FVJIIXCZPMOLHR-SXOMAYOGSA-N 512.639 4.861 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c(C)c1 225209473 HJFNRMQKGXABRV-NRFANRHFSA-N 578.573 4.698 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225285760 VCTIDLSBFKKXHN-MHZLTWQESA-N 556.128 4.517 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 225322595 IYVJNKNSHOBTIR-SSEXGKCCSA-N 563.764 4.934 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 225387880 VGMPPGJHTRMNQF-DNQXCXABSA-N 551.709 4.531 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN1C(=O)c2ccccc2C1=O)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 225757532 SJIAILRXGXHJNM-LJAQVGFWSA-N 539.676 4.784 0 40 KJAB CC(C)CSc1nnc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)s1 225776092 NUPUSOCSLRMCKN-ZDUSSCGKSA-N 523.533 4.774 0 40 KJAB C[C@@H](NC(=O)c1ccccc1NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccccc1 225867153 NVGKBQHZGMKBEG-GOSISDBHSA-N 515.582 4.641 0 40 KJAB COc1ccc(CNC(=S)Nc2nc(N3CCN(c4ccccc4)CC3)cc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 225931605 XOUIQHXNVBHBEK-DHIUTWEWSA-N 545.757 4.781 0 40 KJAB C[C@H]1C[C@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NCC3(c4ccc(F)cc4)CCCC3)n2)C1 225977020 ILDGAQWDAUIVFF-SFTDATJTSA-N 526.726 4.733 0 40 KJAB COC(=O)[C@@H]1CN(C(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 226004052 RDEFCMVJABSLFB-QHCPKHFHSA-N 583.877 4.805 0 40 KJAB COc1cccc(N(CC(=O)NCc2cccc3ccccc23)S(=O)(=O)c2cc(C)ccc2OC)c1 226058761 YULAYHLNNNQLTI-UHFFFAOYSA-N 504.608 4.677 0 40 KJAB COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2[C@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)cc1 253388379 QOPUSVUZHPIYER-FOHQDORMSA-N 556.523 4.789 0 40 KJAB biogenic,in-vitro O=C(O)CN(Cc1ccc(Br)cc1F)C(=O)[C@@H]1OCC(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccccc1 257203077 AOOYEKLNPVDHBZ-CLJLJLNGSA-N 589.845 4.824 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)N(C)C)c1 260971058 JDSHNIVJUYZNSY-WJOKGBTCSA-N 608.780 4.754 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 260972030 MRLKGDRCSTZXGS-DQEYMECFSA-N 595.762 4.848 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 260988825 CFQZKEHABIMJIL-HLADLETHSA-N 597.753 4.935 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](CC)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 261021289 WDEMBZMTDCEXQZ-KOSHJBKYSA-N 572.555 4.880 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 261043008 KTUUDWWPLNECSF-AMGIVPHBSA-N 647.579 4.612 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 261103454 WQXWWBZJRVYEGG-DWACAAAGSA-N 630.605 4.779 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1NC(=O)c1ccccc1F 408557712 HMFAZPXTMOQJDS-UHFFFAOYSA-N 532.037 4.949 0 40 KJAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1 408637560 AIENZPKZEGXOCD-PMACEKPBSA-N 534.952 4.568 0 40 KJAB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@@H]4CC(=O)N(c5cccc(Cl)c5Cl)C4)cc3)C(=O)[C@@H]2C1 408649749 AFNZEQCVGZIVPC-VVWQDTPRSA-N 515.393 4.878 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1 408659012 VKASWXACDUDFCP-QKFIJCJASA-N 563.031 4.892 0 40 KJAB Cc1cccc(C)c1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408683909 NSHWJOXORFFKGD-OSEUOSFJSA-N 536.628 4.702 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 408714397 PYEYHICQILRJBV-UHFFFAOYSA-N 588.579 4.739 0 40 KJAB O=C([C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 408714421 QHWBNRFIXPFCKR-WJOKGBTCSA-N 567.711 4.718 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@H]1c1ccc(F)cc1 408771673 AFVFFPLXOVJGHR-XQAWFANUSA-N 607.457 4.566 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 408830383 MMNXHNRDJQPYCN-MXLMUYMQSA-N 634.666 4.931 0 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COc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1 409003540 ICBGUVGWHQQDNE-UHFFFAOYSA-N 509.411 4.840 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c2ccc(C)cc2)cc1 409026514 RDOPVZMFYHLDLA-UHFFFAOYSA-N 543.645 4.768 0 40 KJAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(I)cc1 409029291 YNBDTTNDOFLYTC-UHFFFAOYSA-N 526.783 4.779 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O)Nc1ccccc1N1CCOCC1 409207028 ZAKNCNWBWXMLGC-XIEYBQDHSA-N 515.591 4.991 0 40 KJAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OC(C)(C)C 409334565 GYRNSIDVJLECFE-OAUYIBNBSA-N 628.289 4.732 0 40 KJAB CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(Br)c(C)c1C 409352589 DPFJSIPLVZALGY-UHFFFAOYSA-N 505.438 4.996 0 40 KJAB COc1cc([C@H](CC(=O)NCC[C@H](c2ccco2)c2ccccc2OC)c2oc(C)cc(=O)c2O)ccc1O 524729624 AOUATOWYGWVJDS-VXKWHMMOSA-N 533.577 4.830 0 40 KJAB biogenic O=S(=O)(c1ccc2ccccc2c1)N1CCC(N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1 618257292 UFZIUPRHWFGPEL-UHFFFAOYSA-N 519.589 4.950 0 40 KJAB CC(=O)N1CCCN(C2CCOCC2)CCCN(C(=O)CCCOc2ccccc2F)Cc2ccccc21 643579503 CELSHQGBWKNSAI-UHFFFAOYSA-N 525.665 4.641 0 40 KJAB O=S1(=O)N[C@@]2(CN1CC(F)(F)F)[C]1CC[C@H]2Cc2ccc(/C=C/CN3CCC(C(F)(F)F)CC3)cc2C1 1560411680 QKGYTEANNRLPLQ-WKSVDYBKSA-N 550.589 4.508 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2[C@H]1c1cccs1 1897138 FUWUCZKBXFKMCV-OFCKJYIJSA-N 573.099 4.976 0 40 KJAB COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1 2231160 HZFCRYTZUXKJQC-UHFFFAOYSA-N 500.598 4.663 0 40 KJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 2642514 RMQHYMFIRGVQAX-UHFFFAOYSA-N 517.003 4.742 0 40 KJAB COc1cc(C(=O)O[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc(NC(=O)c2cccs2)c1OC 2653317 UBFBIBQAJMWVIN-JXFKEZNVSA-N 508.596 4.757 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccncn2)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3218313 FOTAOYLFSIFVSC-UHFFFAOYSA-N 578.459 4.637 0 40 KJAB O=C(O[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3251550 IJESMZUDHLBUFH-QHCPKHFHSA-N 582.984 4.917 0 40 KJAB CC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N(CCc1ccccc1)Cc1cccs1 6015046 KHFQMKTTZASLGK-SANMLTNESA-N 542.665 4.894 0 40 KJAB CC(C)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1 12481989 IMCPDQZUGSRWEL-FIPFOOKPSA-N 531.682 4.682 0 40 KJAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)N[C@@H](C(=O)NCc1ccccc1)c1ccccc1 12960002 BSSJXTHBJIHMSC-XMMPIXPASA-N 508.500 4.862 0 40 KJAB CCOc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2cccc(OC)c2)c1 13029780 TWDKYZSYZLQXOR-GDLZYMKVSA-N 527.625 4.672 0 40 KJAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 16362979 KMKBTBVISVEWDR-UHFFFAOYSA-N 521.620 4.849 0 40 KJAB COc1ccc([C@H](C)NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1OC 20013347 KHLYDVUVIZZNPO-QHCPKHFHSA-N 524.683 4.740 0 40 KJAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1 20016759 OLPVTEJXMAHDDH-CYBMUJFWSA-N 510.456 4.772 0 40 KJAB CCc1ccc(NC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)C(C)C)cc1 70687362 DTWYSRGYILSCBZ-NSOVKSMOSA-N 578.754 4.703 0 40 KJAB biogenic CCS(=O)(=O)Nc1ccccc1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2C)C1 72314523 OIJOLCDYPJMTKN-XMMPIXPASA-N 518.060 4.950 0 40 KJAB CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCN(C(=O)OCC)C3)cc1 97963513 IPANYDVFZHEESU-UHFFFAOYSA-N 579.741 4.893 0 40 KJAB COc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1CCC(=O)NCCc1ccc(OC)c(OC)c1 98049352 SRHAJYTVYSIAET-UHFFFAOYSA-N 575.687 4.666 0 40 KJAB CCOc1ccccc1CCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 100078229 RWEPWMBJIQXSQB-UHFFFAOYSA-N 547.073 4.700 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)c(OC)c1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC 100356100 BRXYHAFIIDJFFG-NDEPHWFRSA-N 545.640 4.536 0 40 KJAB O=C(c1ccc(Br)cc1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 100904826 FYRCJEBTIREUPS-WSOYEBOPSA-N 543.373 4.576 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 105498576 YQPYTDITTDCKSV-SZYVSPPHSA-N 619.095 4.768 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4Cl)cc3)c(=O)n2[C@@H]1c1ccccc1 109924153 IILVFLJBPJFHSA-GTWFGUSFSA-N 531.033 4.641 0 40 KJAB O=C(NCc1ccc(CN2CCCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 139885061 KEPIIIOYWNWUDC-HSZRJFAPSA-N 538.541 4.838 0 40 KJAB O=C(O)c1cccc(NS(=O)(=O)c2c(Br)c(Br)c(Br)c(Br)c2C(=O)O)c1 150492523 MWFKNBDIZHUINS-UHFFFAOYSA-N 636.894 4.934 0 40 KJAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(OC(F)(F)F)cc1 150686161 HHASCYNCVMYBGS-OHUGHZGNSA-N 653.749 4.887 0 40 KJAB O=C(O)COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2cc3c(cc2Cl)OCO3)C1=O 215219169 MGVGMBIVHCLMSS-YAXRCOADSA-N 526.748 4.531 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 222621826 JEMNOPGAIQCMMV-MHZLTWQESA-N 596.149 4.677 0 40 KJAB 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Cc1ccc(C)c(N(Cc2ccc(C(=O)NCc3nc(-c4ccccc4Cl)no3)cc2)S(C)(=O)=O)c1 223202161 RBADLWVVESHPLR-UHFFFAOYSA-N 525.030 4.903 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 223265639 FHOSPBRYTQHFKY-JOCHJYFZSA-N 587.689 4.892 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 223278719 NHGZJXDQNABQPZ-RBISFHTESA-N 570.155 4.969 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 223346186 XFGJPQAAUXGQJZ-INIZCTEOSA-N 548.920 4.746 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223603138 YNZXPWNKXXGAKQ-XMMPIXPASA-N 536.138 4.918 0 40 KJAB CSc1ccc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1C(=O)N1CCCCCC1 223611757 QRYVGPJQWZUXLG-UHFFFAOYSA-N 521.064 4.607 0 40 KJAB CCOc1ccc(N(CC(=O)NCCOc2ccccc2Cl)S(=O)(=O)c2ccc(SC)cc2)cc1 223727145 BKHWUEHZOGLLMF-UHFFFAOYSA-N 535.087 4.851 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 223754840 ISIWPGSDQFYSEP-JGCGQSQUSA-N 645.778 4.684 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)[C@@H](C)C(=O)NC1CCCC1 223771166 LLXHJYYFVXXHFU-SFHVURJKSA-N 540.513 4.544 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 224182383 BGDMHGPREAEMHW-AREMUKBSSA-N 578.081 4.551 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 224302491 NMQVXKFYXKWDRN-SANMLTNESA-N 604.542 4.521 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224382560 IDZBJFMYYWDBGR-SFHVURJKSA-N 560.519 4.868 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 224465601 HKCOCBJSSOKBIU-XMMPIXPASA-N 570.539 4.634 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 224544699 HNQZGLYCRQWZEU-QHCPKHFHSA-N 604.091 5.000 0 40 KJAB COc1ccc(OCCNC(=O)c2ccc(CN(c3ccc4ccccc4c3)S(C)(=O)=O)cc2)cc1 224689494 OKCZFTHRIGKIPG-UHFFFAOYSA-N 504.608 4.623 0 40 KJAB 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Cc1cccc(C)c1NC(=O)c1cc2cc(Br)ccc2n1NC(=O)C(=O)NCc1ccccc1 408579015 YJRWVYREMGPCHS-UHFFFAOYSA-N 519.399 4.659 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)CCC1=O)c1ccc(OC(=O)c2ccccc2)cc1 408649099 XJJVAMHJWOWMJE-UHFFFAOYSA-N 525.344 4.602 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1 408661499 XEWMEMRKMLYNHL-RGXZNCPUSA-N 554.986 4.606 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OC)c(=O)n2[C@@H]1c1ccc(SC)cc1 408927166 VOVTUWUOSWKPKE-XQJRBFNUSA-N 732.403 4.738 0 40 KJAB O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 409004270 BQRVOMOXEHPEEE-UHFFFAOYSA-N 536.456 4.672 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C(=O)O)cc4)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409034626 IDSHKFGEIBYOLJ-QQMBNGEASA-N 642.730 4.871 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccccc3OCC)c2=O)=N1 409047812 NERLEIYYJQGNAM-XXMKCSCWSA-N 585.520 4.748 0 40 KJAB 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O=C(CSc1nc2ccsc2c(=O)n1-c1ccc(Br)cc1)Nc1ccc2c(c1)OCCO2 33355749 MRVLGGBWQPFNQS-UHFFFAOYSA-N 530.425 4.712 0 40 KJAB COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c(OC)c1 37242775 PMFNNFMCELNYRP-MVNJAOPISA-N 511.615 4.638 0 40 KJAB Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N(Cc3ccco3)C[C@@H]3CCCO3)cc12 57608643 IQIIGLNQAAAEHJ-NVQXNPDNSA-N 502.619 4.610 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1Cl 59930241 GXVGYPGFUUKZIG-RUZDIDTESA-N 596.071 4.996 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCc2ccccc2)cc1 97952016 VFTIPFLNDXADKE-SANMLTNESA-N 545.661 4.836 0 40 KJAB CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 100374943 OAGVAFQDSPZDIO-RUZDIDTESA-N 544.562 4.723 0 40 KJAB COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)N[C@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c2)cc1Cl 101490179 SIWPVOWUGLWIRD-VIPLHTEESA-N 507.052 4.737 0 40 KJAB 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CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 224430446 ZYGQSFNJDKDRJX-JOCHJYFZSA-N 570.539 4.634 0 40 KJAB CC(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)NCCOc1ccc(Cl)cc1)O2 224498267 PUJBKRUHYPTKKB-VWLOTQADSA-N 529.058 4.789 0 40 KJAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 224552172 KHOQRLBRJOQGOL-UHFFFAOYSA-N 555.700 4.844 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224575491 ZXVRDUZJDCJOHA-MUUNZHRXSA-N 613.752 4.926 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c2ccccc2)cc1OC 224644200 COOQEPHSMPBPSU-UHFFFAOYSA-N 545.042 4.710 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224700282 RCLDEWIVCJYORN-FQEVSTJZSA-N 541.636 4.504 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O 224858794 ZTQWIHQWRJEVNN-KRWDZBQOSA-N 558.503 4.765 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 225213948 MZRSBMKEEQSOKK-INIZCTEOSA-N 593.371 4.856 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccco3)c2C)ccc1OC 225290658 PCAXOUBWQCGSJM-VSGBNLITSA-N 545.665 4.912 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 225323259 KCXFTDYDUQEBSV-JKSUJKDBSA-N 548.920 4.745 0 40 KJAB CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccc(F)cc2)cc1 225440631 CWIIXRMNKOTVOK-ZEQRLZLVSA-N 583.726 4.794 0 40 KJAB COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(NS(C)(=O)=O)c(C)c1 225448816 DPEJZCUZROSMTJ-CLJLJLNGSA-N 533.679 4.738 0 40 KJAB COC(=O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)o1 225495939 RESWEAGJSZTTBG-IZZNHLLZSA-N 578.672 4.685 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225717477 LKRPSFHQAWBGSJ-QHCPKHFHSA-N 541.636 4.584 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225725242 SBZCSWXJUNNLDN-IBGZPJMESA-N 586.980 4.838 0 40 KJAB Cc1ccc2nc(C(=O)N3CCC[C@]4(CO[C@H]5c6ccccc6O[C@](C)(CCC(=O)O)[C@@H]5C4)C3)cn2c1 257227538 FPUPMCJPJOBWDT-HSYZXZFHSA-N 503.599 4.659 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)[C@H](C)C(=O)NC(C)C 260730542 JQSHULWHQVZRQA-RUZDIDTESA-N 535.710 4.749 0 40 KJAB Cc1cccc(C)c1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 260789836 MTSAQXGZCDEOAI-LJQANCHMSA-N 554.540 4.852 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)N[C@@H](C)CC)c2ccccc2)cc1 260930041 HOMTUMMIYLQUCA-LOSJGSFVSA-N 565.736 4.655 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 261018704 IBNSEIGUIOFUOF-FIPFOOKPSA-N 570.155 4.969 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC)S(C)(=O)=O 261113559 YGDWYDMFWOPDBQ-IRPSRAIASA-N 579.763 4.715 0 40 KJAB COc1ccc(N(CC(=O)Nc2cccc(C(C)=O)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl 408589444 HRTIKXADZSREDO-UHFFFAOYSA-N 517.003 4.702 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)Cc2ccccc2)c(C)c1 408619421 HUUKIXUADQORKT-XNTDXEJSSA-N 531.722 4.660 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)c2ccccc2)cc1OC 408629642 FNGUSCLZHVBOGI-UHFFFAOYSA-N 551.665 4.554 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(Br)cc1 408664134 YUTDGATURSYFGI-CALCHBBNSA-N 536.209 4.947 0 40 KJAB CCCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C(=O)OCCCC)cc2)cc1 408666622 ODPUMVGMPMOACY-UHFFFAOYSA-N 540.613 4.891 0 40 KJAB COc1ccc(NC(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c(OC)c1 408676937 DOFYJKQGVJDZNR-FBVYBBNNSA-N 588.616 4.896 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 408677282 CCUZHXJVZSQXDR-FQEVSTJZSA-N 555.703 4.742 0 40 KJAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)OCC(=O)Nc4ccc(Br)c(Cl)c4)c3)C(=O)[C@H]21 408682811 GZMDAFAKOAGGGW-KIXAIZAISA-N 543.801 4.600 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C\c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)c2=O)=N1 408833786 YJUDBMHGNZMRCW-HVDVVURSSA-N 642.730 4.873 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OC)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408858986 UUZBKINNSQFKCF-XQNWCSQWSA-N 542.657 4.747 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)cc3)c(=O)n2[C@H]1c1ccccc1 408927894 TZSXVCXQVLMFNH-CMISJSSVSA-N 528.605 4.516 0 40 KJAB CCOC(=O)c1ccc(COc2c(/C=c3/sc4n(c3=O)[C@H](c3ccc(OCC)c(OCC)c3)C(C(=O)OC)=CN=4)cccc2OC)cc1 408935392 DSPVHRMMWDHXFI-DUIUNGFMSA-N 672.756 4.580 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc(Cl)cc4)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409039888 XGODOZYMUXRSIL-KJDHVJLISA-N 677.175 4.981 0 40 KJAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(I)cc(OC)c3OCc3ccccc3)c2=O)=N1 409049967 RSQPIAPTBZAYGK-QTTRZTASSA-N 666.537 4.991 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409088146 DUGYWBBWWJGDLS-AQIZGWBQSA-N 580.504 4.544 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409100046 PKLFBQNVYXUMGR-OGMUYLFESA-N 597.737 4.700 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C/c3cc(Br)c(Sc4nc(C)cc(O)n4)o3)c2=O)=N1 409103875 ZKGLQWSMMYNUAQ-ZBXXMNEPSA-N 671.595 4.898 0 40 KJAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OCC(=O)Nc4ccc(C)cc4Br)cc3)C2)cc1 409132484 ZZUHNTJXKGQETQ-OAQYLSRUSA-N 550.453 4.753 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C1=O)N1CCOCC1 409147912 WMZDODYNCPRHHS-YBFXNURJSA-N 525.385 4.607 0 40 KJAB CC(C)c1ccc(OCC(=O)NCc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)n2C)cc1 409163430 RJROGJCAAQDECK-UHFFFAOYSA-N 522.458 4.671 0 40 KJAB O=C(CN1C(=O)N/C(=C/c2ccccc2OCc2ccc(I)cc2)C1=O)Nc1ccccc1F 409216455 ILOVKVUUUFESQD-FYJGNVAPSA-N 571.346 4.541 0 40 KJAB COC(=O)c1cc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)ccc1Cl 409257935 UVVDQZOLVIPASZ-UHFFFAOYSA-N 523.394 4.623 0 40 KJAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1 409261434 BUEOAAFYQJHDKT-UHFFFAOYSA-N 537.819 4.723 0 40 KJAB O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(C(F)(F)F)c1 409381008 CREQVEYSKQQCTK-UAADMILHSA-N 587.469 4.865 0 40 KJAB COC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)C(=O)O)c1 409388647 VYNBAHISQFCBLE-NHCUHLMSSA-N 627.446 4.985 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCC[C@@H]3C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O3)c(=O)cc1[C@@H](NC(C)=O)CC2 604404260 AJZWLNFZGPMVQI-NICBNDDISA-N 711.853 4.812 0 40 KJAB biogenic Cc1c(C(=O)Nc2cnn(CC3CCN(S(C)(=O)=O)CC3)c2)cccc1-c1ccc(OC(F)(F)F)cc1 643551849 LHILZVMUEFGXSJ-UHFFFAOYSA-N 536.576 4.681 0 40 KJAB CC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)CCc3nc(C(C)C)no3)Cc3ccccc31)N2Cc1ccccn1 643578204 QPKRADGNGLSPNK-SXOMAYOGSA-N 544.700 4.729 0 40 KJAB CC(C)Cc1nocc1CNC(=O)c1ccc2c(c1)CNCCCCCCCN2C(=O)c1cccnc1 643583936 PMSFUPBNLQWPRZ-UHFFFAOYSA-N 503.647 4.899 0 40 KJAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NCCc3ccc(OC)c(OC)c3)n2)cc1 890732 CPOOCTSPVOIMNT-UHFFFAOYSA-N 507.534 4.639 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1ccc(O)cc1)N(C(=O)[C@H]1COc2ccccc2O1)c1ccc(F)cc1 930923 VSZRMAGUWIYVAE-SXOMAYOGSA-N 504.558 4.895 0 40 KJAB COc1ccc(-c2nc3c(c(SCC(=O)Nc4ccccc4OC)n2)Cc2c(CO)cnc(C)c2O3)cc1 2716086 AXYLVNNBSGOIHK-UHFFFAOYSA-N 530.606 4.784 0 40 KJAB Cc1cccc(-n2nnnc2Sc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)c1 3453887 SCFGSVJGEWWCHX-UHFFFAOYSA-N 510.004 4.519 0 40 KJAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 6077633 AUMLHLXMVYZIDN-XMMPIXPASA-N 539.606 4.899 0 40 KJAB COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N(Cc1ccco1)Cc1ccccc1Cl 6321064 SPSHYJCFVTZXEV-SANMLTNESA-N 533.032 4.816 0 40 KJAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(c4nc5ccccc5s4)CC3)cc2c1 6409124 NGKXDKONLLUHBK-AREMUKBSSA-N 540.697 4.850 0 40 KJAB COc1ccccc1[C@@H]1CN2C(=O)CN(CCc3c[nH]c4ccccc34)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 8789794 NUBPAEQEOKZQLB-BNHRFMORSA-N 518.617 4.932 0 40 KJAB biogenic CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(Cc1ccccc1F)C(=O)Cn1nnc2ccccc21 13024594 UDHVKCNBSNEFDH-HHHXNRCGSA-N 517.605 4.654 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)cc1OC 13029257 ZOMKANZRGBSNAS-MHZLTWQESA-N 515.614 4.528 0 40 KJAB CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccccc1OC)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 13500865 LTCLCNSLGPTPEN-QHCPKHFHSA-N 532.645 4.941 0 40 KJAB C[C@@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1cccc(Br)c1 20010954 OTAFOCYMLRPWHB-QGZVFWFLSA-N 505.409 4.657 0 40 KJAB CC(C)CCn1c(SCC(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)nc2ccccc2c1=O 32721597 WEGQRCRWYNRPPM-UHFFFAOYSA-N 520.636 4.501 0 40 KJAB COc1ccc([C@@H](C)NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC 59835452 FUECXBDIKPWGOO-GOSISDBHSA-N 535.037 4.873 0 40 KJAB Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)S(C)(=O)=O)c1C 59888440 XAQTYJXNSQZWJC-UHFFFAOYSA-N 537.663 4.662 0 40 KJAB C[C@@H](NC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1)c1cccc(Br)c1 59928797 LXKUQCZOGVRRJJ-QGZVFWFLSA-N 535.435 4.811 0 40 KJAB COc1ccc(CNC(=O)[C@@H](C)[C@H]2CC[C@@]3(C)CC[C@H](NC(=O)c4ccc(OC)cc4)[C@@H](C)[C@@H]3[C@H]2O)cc1 67898874 LXWORLGTAALPJZ-WGNHHVHESA-N 522.686 4.578 0 40 KJAB biogenic,in-vitro O=S(=O)(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)c1cccc(Cl)c1 97981284 ZEHUWWPCQZMKLJ-UHFFFAOYSA-N 526.986 4.647 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NCc3ccc(F)cc3)c3cccs3)n2)o1 100330245 KSDLKYUPWYPXPN-DEOSSOPVSA-N 550.641 4.590 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 100355781 BAOWQTAUXJZBOD-HHHXNRCGSA-N 547.631 4.663 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)c(OC)c1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC 100356099 BRXYHAFIIDJFFG-MUUNZHRXSA-N 545.640 4.536 0 40 KJAB COc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)c1OC 100363851 QGAIHSORFJTRRY-GDLZYMKVSA-N 541.652 4.668 0 40 KJAB CCOc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC(C)(C)CC)c2cccc(OC)c2)cc1 100413978 QVHAACCDXVGLBI-AREMUKBSSA-N 537.682 4.965 0 40 KJAB 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KJAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 97982874 KDJACRQHVHIPPJ-UHFFFAOYSA-N 598.928 4.940 0 40 KJAB O=C1[C@H]2N=NN(CC(=O)N3N=C(c4ccccc4)C[C@H]3c3ccccc3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl 98045955 UCOWAOOPODWUDL-RSEQLOHWSA-N 547.402 4.665 0 40 KJAB Cc1ccsc1[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccccc1Cl)C(=O)Cn1nnc2ccccc21 100336068 SPVLDWBVDJQNKW-CJFMBICVSA-N 538.073 4.520 0 40 KJAB COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@]3(Cl)C(Cl)=C(Cl)[C@]2(Cl)C3(Cl)Cl)c1 100507879 AOUJGQLGEAZILY-NXPNQGMMSA-N 524.011 4.805 0 40 KJAB CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCCc3ccccc3)C(=O)N12)C(=O)Nc1ccccc1OC 102745644 MNNIIMRCAPCYQB-BDYUSTAISA-N 583.714 4.943 0 40 KJAB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)ccc1O 102751856 CTCQFSBMMNVBBQ-YPAWHYETSA-N 529.774 4.868 0 40 KJAB COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 105315935 VYCGDZVTHZIXNI-UHFFFAOYSA-N 553.482 4.547 0 40 KJAB 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Cc1cccc(CN(C(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1 224156030 OAAMHSQYYFZERT-SFHVURJKSA-N 562.054 4.623 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 224236773 TYBPGLNXBPUJHH-MHZLTWQESA-N 539.673 4.581 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(I)cc1 224402035 RVWRCRDGKYRXPA-QFIPXVFZSA-N 538.401 4.675 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 224411290 SRBZUQOPFKAQDG-FQEVSTJZSA-N 548.920 4.665 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(Cl)cc1 224650538 OMAUHBWSELRXIF-QFIPXVFZSA-N 572.127 4.878 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 224763039 BEZICOHSMRNQRU-PMERELPUSA-N 579.763 4.796 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224832524 FDJRPXLXDROKKV-MHZLTWQESA-N 647.579 4.530 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc2c(c1)OCO2 224881412 AOMRFMWMITXHGV-MHZLTWQESA-N 612.148 4.534 0 40 KJAB O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCOCC2)cc1 224983248 SKAKWHDBEIRTQA-UHFFFAOYSA-N 520.438 4.664 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 224991626 IRISCJDIECEFTG-FCHUYYIVSA-N 572.127 4.876 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 225151827 CFNGBROBQCWJCV-NHCUHLMSSA-N 618.127 4.778 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 225168422 FFXZJTBZRQUQDX-VWLOTQADSA-N 548.149 4.979 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 225183558 JSKSXFKXBVIPAJ-DEOSSOPVSA-N 521.683 4.771 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 225189570 XMXIFAQDCOIIFI-NHCUHLMSSA-N 618.127 4.778 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 225212867 QCVXTDSGPCJNAL-SFHVURJKSA-N 572.953 4.511 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 225218530 XNMVQMONQJKQOR-HSZRJFAPSA-N 522.111 4.563 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 225392505 VLRHUMYWAXVYOL-LJAQVGFWSA-N 565.736 4.841 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 225392915 RFFVNUVFBBXWRY-MHZLTWQESA-N 572.127 4.878 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 225448200 URBKUDFRWFLMTN-HHHXNRCGSA-N 586.154 4.671 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 225471395 UNPPQZIIYJHTQT-MHZLTWQESA-N 618.569 4.911 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 225701934 YNYYAFRFTYDSRZ-AREMUKBSSA-N 586.552 4.976 0 40 KJAB FC(F)(F)c1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NCCCc2ccccc2)n1 225966725 CWQPACRIFWMXOQ-UHFFFAOYSA-N 500.594 4.741 0 40 KJAB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCCCNc1ccnc2cc(Cl)ccc12 225998442 MXRKFUULCXFLCR-UHFFFAOYSA-N 515.079 4.830 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)[C@H](C)C(=O)NC(C)C)cc1 260713752 DYXUIIYGGMIEPF-JOCHJYFZSA-N 646.604 4.912 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 261039700 KMGPJMVHOWVYGJ-IDISGSTGSA-N 574.118 4.800 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 261058169 NGRJVEUOYWWTSV-HOTGVXAUSA-N 593.371 4.854 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1Cl 408608517 NWDJEHASDOBLEB-UHFFFAOYSA-N 530.046 4.711 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCCCC1)c1cc(C(F)(F)F)ccc1Cl 408617273 FUBRESGXEUTHRW-UHFFFAOYSA-N 531.984 4.780 0 40 KJAB Cc1cccc(CN(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccc(Cl)cc2)c1 408620955 NCZXUOYEXHNTFN-IZZDOVSWSA-N 538.113 4.697 0 40 KJAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 408621813 PAAIAJUUJKXPLH-UHFFFAOYSA-N 556.644 4.533 0 40 KJAB COc1cccc(N(CC(=O)Nc2cc(OC)c(Cl)cc2OC)S(=O)(=O)c2ccc(C)cc2)c1 408623057 XQXFJNRZYUBQAZ-UHFFFAOYSA-N 504.992 4.508 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(SC)cc4)CC3)cc2)cc1 408679155 ISUGQOZTZIOMRY-UHFFFAOYSA-N 589.761 4.647 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408773941 KFVCBKSOUWPHGA-MZANGIHLSA-N 651.510 4.771 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408850844 SCSFRRQIFQUZCO-GJFKPFFXSA-N 615.546 4.755 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 408920430 HKMOCBTXVVXKPK-UHFFFAOYSA-N 595.699 4.647 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409030401 DBHSQLCACHAYPY-PMYQURGISA-N 704.773 4.866 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@H]1c1ccc(SC)cc1 409118815 QGMCLIFIWWXQJO-DWCUFGPVSA-N 632.561 4.742 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 409205542 PEJNXCUARVHCIK-DANHWCHVSA-N 581.738 4.841 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1OCc1ccccc1 409205990 ULIZRKDESMSLAE-OVVQPSECSA-N 559.644 4.786 0 40 KJAB O=C1N/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)C(=O)N1Cc1ccccc1 409232698 BIYQLUCNVMYCHS-HYARGMPZSA-N 510.331 4.963 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OC(F)F 409356489 GZRRULTUTIXTII-YVLHZVERSA-N 574.343 4.966 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 409365372 ZFTWACPNHXMJLQ-ZDUSSCGKSA-N 569.856 4.778 0 40 KJAB O=C(O)c1ccc(COc2ccc(Br)cc2/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 409380601 OFJCHLYJOVFSSD-BKUYFWCQSA-N 559.438 4.775 0 40 KJAB Cc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2cccc(Br)c2)cc1 409381318 FYSHTRBDUONCBV-FGZHOGPDSA-N 540.366 4.540 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc(Br)c3OCc3cccc(C(=O)O)c3)C2=O)o1 409402998 YBOGJDRIRPJJPI-OCKHKDLRSA-N 589.782 4.852 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)COc3c(C)cccc3C)CCO2)C1=O 643556012 FZFJDEGJFRNOJL-WJOKGBTCSA-N 522.686 4.714 0 40 KJAB COc1ccc(C(=O)N2CCN(C(C)C)CCCN(C(C)=O)c3cc(F)ccc3C2)cc1CN1CCCC1 643558644 SFZVUHWNWUMAQB-UHFFFAOYSA-N 524.681 4.540 0 40 KJAB O=C(c1cnn([C@@H]2CCCNCC2)c1)N1CCOCCOc2ccc(-c3cccnc3)cc2Cc2cccc(c2)C1 643560942 NVDWGUWEFIXODM-WJOKGBTCSA-N 551.691 4.902 0 40 KJAB CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccc(OC)c2)C(=O)c2cnccn2)cc1 921398 UCORYHXQEMQUKJ-HHHXNRCGSA-N 502.615 4.717 0 40 KJAB C[C@H]1CCc2c(sc(NC(=O)c3cccc(C(=O)Nc4sc5c(c4C(N)=O)CC[C@H](C)C5)c3)c2C(N)=O)C1 2086548 HNQHYYMOBWNMKC-KBPBESRZSA-N 550.706 4.762 0 40 KJAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc(Br)c3)N2C(=O)CN1CCc1ccccc1F 2124670 AQBSIAKZCJZGKM-IGKIAQTJSA-N 532.413 4.997 0 40 KJAB biogenic Cc1c(CC(=O)N[C@@H](Cc2c[nH]c3ccc(O)cc23)C(=O)O)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 2129857 VQVMCKTVRYRYFK-QHCPKHFHSA-N 516.550 4.687 0 40 KJAB biogenic CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@H]1c1ccc(Cl)cc1 2156973 WIBXTRJUQQPJFX-LKWZWFHSSA-N 559.043 4.626 0 40 KJAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 2656716 CZWUVUAAQLVCSZ-UHFFFAOYSA-N 514.028 4.890 0 40 KJAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)o3)c2=O)=N1 3771883 BDCCBKDFQHNDIN-QYAMMSNYSA-N 581.119 4.991 0 40 KJAB COc1ccccc1CNC(=O)C[C@@H]1c2nc(NC(=O)CC(C)(C)C)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO 4236994 DQIFEGHFJGMOMQ-YXZOACASSA-N 557.757 4.648 0 40 KJAB biogenic,in-vitro Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(Cl)c(Br)c3)n2C)cc1 8438202 BYZKYLPKQWQSRW-ZDUSSCGKSA-N 522.856 4.761 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 9425465 KFHXOSUKXQYWMY-UHFFFAOYSA-N 504.992 4.508 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(C(=O)CNC(=O)c1cccs1)c1ccc(C)cc1 12488673 NAUVZIISIDMJOW-RUZDIDTESA-N 507.656 4.874 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(Cc1cccc(OC)c1)C(=O)Cn1nnc2ccccc21 13024701 QDQZSRHKNZXTAN-MHZLTWQESA-N 517.605 4.654 0 40 KJAB COC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)cc1 13026380 HEBHRJKETVHZFI-VWLOTQADSA-N 506.555 4.530 0 40 KJAB Cc1ccccc1Nc1nc([C@H](C)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2ccccc12 22052500 XBZWJOGKIAKWCG-FQEVSTJZSA-N 505.619 4.888 0 40 KJAB O=S(=O)(c1cccc(Br)c1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 33010904 WXBKTKLOZNAPJT-UHFFFAOYSA-N 515.458 4.632 0 40 KJAB CCOC(=O)c1ccccc1COCc1cc([C@H]2N[C@H](C(=O)OC)Cc3c2[nH]c2ccccc32)ccc1OC 36368095 CFGBQSLJZKRBDT-XTEPFMGCSA-N 528.605 4.847 0 40 KJAB biogenic COc1ccc(-c2noc(-c3c(SC)nn(CC(=O)Nc4ccccc4C(F)(F)F)c3N)n2)cc1 45895436 YAPTWSLREHHVEU-UHFFFAOYSA-N 504.494 4.570 0 40 KJAB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc(Cl)c1O 59513161 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595.762 4.762 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 222574432 VVWMOVQTJLYBRO-MHZLTWQESA-N 559.663 4.654 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 222735820 OZIXWQMHLYGDKD-SANMLTNESA-N 606.572 4.934 0 40 KJAB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 222752028 CQFSLERDJPSPIR-IBGZPJMESA-N 608.544 4.678 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1Br 222884875 NZHOPYPMBGBOQJ-FQEVSTJZSA-N 511.844 4.822 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 223039676 IGCDQYQTUOFVJQ-LJQANCHMSA-N 637.394 4.960 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223090339 UDGOXEOVOTYMRX-SSEXGKCCSA-N 615.752 4.675 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223203644 DEZZSHJXGUQZJR-HHHXNRCGSA-N 595.762 4.930 0 40 KJAB 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4.938 0 40 KJAB COc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(C)cc2C)cc2cc(Br)ccc21 408578954 XIUDWIBEGLJGNG-UHFFFAOYSA-N 535.398 4.990 0 40 KJAB O=C(Nc1ccccc1Br)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 408584881 WEKOUIPTHJOYSY-HXUWFJFHSA-N 538.261 4.740 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C)c2)cc1 408593120 MPEYGYXJLMJXII-UHFFFAOYSA-N 547.599 4.851 0 40 KJAB CCOC(=O)c1c(NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)sc2c1CCC2 408619840 NXNYLMXTGFJTLP-KRWDZBQOSA-N 528.652 4.999 0 40 KJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408682032 FWTATJXOTOIYAJ-NBAFEDJBSA-N 593.861 4.785 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)c2=O)=N1 408869757 UEHXYWCPWLWLKZ-PKYOQBLNSA-N 616.692 4.862 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(s/c(=C/c3ccc(OCC(C)C)cc3)c2=O)=N1 409017389 NWZKIBMQBSGSMQ-MKWGYRPRSA-N 529.687 4.970 0 40 KJAB 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O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1)c1ccc(-c2ccccc2)cc1 100664121 XUNCLLAZQVCLKF-SYHBSSCQSA-N 503.554 4.951 0 40 KJAB CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCCc3ccccc3)C(=O)N12)C(=O)Nc1ccc2c(c1)OCO2 102745630 IOSKSKWTEJYRBY-IGKIAQTJSA-N 597.697 4.663 0 40 KJAB O=C(CCCn1c(SCC(=O)NCCc2ccccc2)nc2ccccc2c1=O)NCc1cccc(Cl)c1 102748249 LMFBCBKQLGVNPV-UHFFFAOYSA-N 549.096 4.598 0 40 KJAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 103101091 NVUQVBOAYRLOPH-SFHVURJKSA-N 558.678 4.806 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)ccc3OC)c(=O)n2[C@H]1c1ccc(Cl)cc1 103788800 YBMKIBWCYQYJCF-XGHXRCDJSA-N 557.377 4.656 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3c(C)nn(C)c3C)c(=O)cc1[C@@H](NC(C)=O)CC2 108448504 IXKYZRJHRHTQSD-VWLOTQADSA-N 605.736 4.824 0 40 KJAB biogenic CN(C)CC(C)(C)COc1ccc2[nH]c(-c3cc(NC(=O)c4cnn(Cc5ccccc5)c4)c[nH]c3=O)cc2c1 114904067 REQMZUHAMVOEON-UHFFFAOYSA-N 538.652 4.987 0 40 KJAB in-vitro C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)c3ccc(F)cc3)cc2)C1 195543546 DKCBNWYZOIFZJQ-AFMDSPMNSA-N 594.130 4.948 0 40 KJAB Cc1cccc(CN(C(=O)CCCN2C(=O)c3ccccc3C2=O)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 222540417 DYADBPQGVQYFHW-GDLZYMKVSA-N 539.676 4.784 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 222546755 ZMOZZZJMIGPDSB-QFIPXVFZSA-N 542.101 4.624 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 222623029 KZEALTGZFPWLSF-GDLZYMKVSA-N 678.605 4.802 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 222845353 XWWHXBNCNHFONT-MHZLTWQESA-N 618.569 4.767 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)Oc3cc(C)ccc32)cc1 222973999 NVUFNDUVLMMWCR-MMTVBGGISA-N 520.651 4.716 0 40 KJAB COc1cccc(CN(C(=O)CCCN(C)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 223019558 RKKNKZRPLRAKLZ-PMERELPUSA-N 579.763 4.508 0 40 KJAB COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1 223230854 WMLMKYQUNMFCBW-UZNNEEJFSA-N 675.779 4.949 0 40 KJAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(OC)c(OC)c1 223268520 WMMXJNYGAPINDW-MHZLTWQESA-N 518.654 4.811 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 223474436 ZLMOGQBUKOCLAR-JOCHJYFZSA-N 572.127 4.878 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 223853196 ZBSYAMGGMDKWEF-LJQANCHMSA-N 578.518 4.751 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223858190 CNDSMBSPUFFIFZ-IBGZPJMESA-N 668.596 4.777 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 223870800 MZFGTJZYPNVHAO-INIZCTEOSA-N 548.920 4.746 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 223873367 MJNXSMVAUFDKIC-QFIPXVFZSA-N 567.683 4.506 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)CC1 223888415 FIEVLFXDBJDDOX-UHFFFAOYSA-N 546.889 4.570 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 224084028 ZQZFLXSLSRELLV-NDEPHWFRSA-N 549.737 4.544 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 224169410 ULRFJUNXBSNRKV-NDEPHWFRSA-N 570.155 4.889 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 224267846 RYLRHXXHJKZLFP-LJAQVGFWSA-N 563.764 4.933 0 40 KJAB CC[C@H](C(=O)NCc1ccc(CN2CCCCC2)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224530398 RVDPPMYCUUQXIU-HSZRJFAPSA-N 512.503 4.840 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 224640561 IOGSQFAXNHENPW-XMMPIXPASA-N 551.709 4.533 0 40 KJAB COc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1OC 224978414 WZNQJRXPPITWNE-AREMUKBSSA-N 506.618 4.940 0 40 KJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c(I)c1 225018895 NADODBFUHHVFEH-UHFFFAOYSA-N 506.365 4.961 0 40 KJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 225046363 UNXWPDUTAOSXGP-SANMLTNESA-N 549.737 4.793 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 225099136 HCDCNWHBKIRKIQ-DNQXCXABSA-N 551.709 4.531 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 225102898 MHQBNPDLAYFNER-LOSJGSFVSA-N 565.736 4.839 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 225271338 LPIMFOXZOVUKBB-HSZRJFAPSA-N 580.534 4.784 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 225365838 DEDNNGSJHWQLHX-MHZLTWQESA-N 572.127 4.878 0 40 KJAB COC(=O)c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)o1 225520194 LJEKLFCWDRSIRH-UIOOFZCWSA-N 512.591 4.739 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 225560618 IEHOIZXTBMHHKN-FUFSCUOVSA-N 565.736 4.921 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225580474 DKESVTULNPMVEI-SQJMNOBHSA-N 536.138 4.917 0 40 KJAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 225611568 XPQWMLBGXQQJGV-UHFFFAOYSA-N 509.078 4.911 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)c2ccc(Cl)cc2)cc1 225684095 PLPHSMFFGLERRT-NRFANRHFSA-N 590.117 4.873 0 40 KJAB Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C(=O)O)cc1 225692462 FRATZANSNBOKEB-SVBPBHIXSA-N 525.634 4.880 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](CC)C(=O)N[C@@H](C)CC)S(C)(=O)=O 225732849 PPMNQGZXIXZJML-AVRDEDQJSA-N 572.555 4.880 0 40 KJAB CCc1cc(Br)cc(C)c1NC(=O)CN(CC)S(=O)(=O)c1ccc(OC)c(Cl)c1 226058347 ZKARWPKSENHEAS-UHFFFAOYSA-N 503.846 4.631 0 40 KJAB CCc1cc(Br)cc(C)c1NC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1 226077027 NVWLSOIQNDJNPW-UHFFFAOYSA-N 509.466 4.676 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)C)c1 260777173 YSJZFIBHYNOBKY-JOCHJYFZSA-N 572.127 4.794 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)cc1OC 260819711 XHZLXUZZTFEDOH-JOCHJYFZSA-N 597.709 4.514 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 260907108 FMVOCZHPWWSGDY-MOPGFXCFSA-N 542.529 4.708 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccccc2)cc1 260909128 FOAXSFPJLKGMSJ-BJKOFHAPSA-N 581.735 4.621 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 260929902 HLVURDKEXHCREW-DFHRPNOPSA-N 569.699 4.752 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 261003358 RZQBKCTYMBDEAW-HOTGVXAUSA-N 548.920 4.745 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1C)S(C)(=O)=O 261072944 PZECXGAMIKIOQT-SVEHJYQDSA-N 549.737 4.624 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 261093366 UKMROIMUNAQPIA-IRPSRAIASA-N 549.737 4.624 0 40 KJAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)cc1OC 408545936 BZARWLRSDPUJSP-UHFFFAOYSA-N 508.640 4.624 0 40 KJAB Cc1cccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NC2CCCCC2)c1C 408576291 GIQHXZCQFMEQSY-UHFFFAOYSA-N 511.420 4.792 0 40 KJAB COc1cc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2C)c(OC)cc1Cl 408595581 SHHRNTKEIBNFNX-UHFFFAOYSA-N 504.992 4.792 0 40 KJAB COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1 408601337 FTCVJALJIBLRCC-HXUWFJFHSA-N 509.411 4.539 0 40 KJAB CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 408616964 DLDUQTYYATXDSA-UHFFFAOYSA-N 544.073 4.973 0 40 KJAB O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccc(F)cc1 408662461 ROJTUIFZMBJTPH-LSSDNNNWSA-N 509.364 4.748 0 40 KJAB Cc1cccc(NC(=O)CN2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1C 408667569 VSGLYOGCGRQPQW-SIQOOTDXSA-N 505.401 4.835 0 40 KJAB Cc1c(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)ccc(Br)c1Cl 408680674 DOWMDZLDAMBQAI-GOSISDBHSA-N 521.795 4.604 0 40 KJAB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](c5ccccc5)C[C@H]4C3=O)c2)cc1 408682065 FYPNHFTXMHDVMP-LIKDZFNVSA-N 512.562 4.564 0 40 KJAB COc1ccccc1NC(=O)COC(=O)CCCCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408682957 LVVPCODOZXPNII-UDPYREPESA-N 552.627 4.630 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(O)c(OC)c4)c(=O)n32)cc1 408859069 SLVQRMTYFBHGAB-GTWFGUSFSA-N 667.525 4.591 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCCCC4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408864723 YRCMGNUGEHIWLB-XOBACGFXSA-N 695.430 4.924 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3OC)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408946642 ZEZOMMRUKDOFLE-VVOOWDFBSA-N 652.938 4.852 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Cl)cc(Cl)c4O)c(=O)n32)cc1 409037278 TUGAUTFHUNZHPR-JGZDWKDESA-N 547.460 4.598 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OC(C)C)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409040343 TXBOLXCQJVFNQR-DVUZPASPSA-N 673.184 4.588 0 40 KJAB CCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)cc1 409096339 JTXSXCYLIDXHAR-PBMMVTTKSA-N 524.086 4.546 0 40 KJAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1 409164336 HBJTVDZUOBNWHD-BUVRLJJBSA-N 504.564 4.958 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(I)cc3)S(=O)(=O)c3ccccc3)cc2)c(OC)c1 409171851 BZVXMQOTTJTGNG-UHFFFAOYSA-N 707.568 4.943 0 40 KJAB Cc1ccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409179171 QEMRZRSDIYNTQP-UHFFFAOYSA-N 516.038 4.640 0 40 KJAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cccc(I)c3)cc2)cc1 409182707 NZJWQBGBRKQYQH-UHFFFAOYSA-N 500.288 4.859 0 40 KJAB CCCN1C(=O)S/C(=C/c2cc(I)c(OCC)c(I)c2)C1=O 409226262 MKRRKMHFXHBSAM-XYOKQWHBSA-N 543.164 4.741 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)C1=O)Nc1cccc(F)c1 409230751 GBKBLTCNPIBMSH-WSDLNYQXSA-N 506.511 4.778 0 40 KJAB CCOc1ccc(NC(=O)COc2ccc(C(=S)N3CCN(c4ccccc4F)CC3)cc2OC)cc1 409264069 JMKHPGATTNXCQP-UHFFFAOYSA-N 523.630 4.748 0 40 KJAB CC(C)(C)OC(=O)N1[C@@H](c2ccc(F)cc2)C[C@@]2(C)[C@H](O)[C@@H](NCc3ccc(OCC(=O)N4CCOCC4)cc3)CCC[C@@H]12 585270446 XAGSKUKIFMRFDZ-GBZPPQPMSA-N 611.755 4.823 0 40 KJAB Cc1cc(OC[C@]2(CC(=O)N3CCC(O)CC3)CCCN(C(=O)CC3CCCC3)C2)cc(C)c1Cl 585287538 OCLURMYVLUREHP-NDEPHWFRSA-N 505.099 4.898 0 40 KJAB CN(CCCC[C@H]1C(=O)N(C)CCCCCOc2ccccc2C(=O)N1C)C(=O)C1CCC(F)(F)CC1 643559676 ZZGFPQPAPNPFKP-QHCPKHFHSA-N 521.649 4.603 0 40 KJAB CCN1CCCCCCN(C(=O)c2ccc(N)nc2)[C@@H](Cc2ccccc2)COc2ccccc2C1=O 643583654 ZUNOLVGLRDGJSU-VWLOTQADSA-N 500.643 4.832 0 40 KJAB COc1cc([C@H](CC(=O)NCc2noc([C@@H]3CCC(=O)N3)n2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC 1547139605 VHVOSXGJQUUVJU-OPXMRZJTSA-N 720.776 4.778 0 40 KJAB biogenic CCOC(=O)c1oc2cc(OC(=O)c3cccc(OC)c3)ccc2c(=O)c1-c1ccc(OC)c(OC)c1 1322966 QSIHRBNRJDQYBH-UHFFFAOYSA-N 504.491 4.882 0 40 KJAB biogenic O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2)N1CCN(c2cccc(Cl)c2)CC1 3012208 VNSDSERKOHIZEB-GCJKJVERSA-N 533.938 4.888 0 40 KJAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCN(c4cc(Cl)ccc4C)CC3)cc2c1 6281739 MMFGFACYCJKUDC-NDEPHWFRSA-N 540.071 4.745 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)c2cccc(C)c2C)cc1 6601271 UYIKNMWVBJSECX-MHZLTWQESA-N 544.656 4.946 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)c2=O)=N1 8492216 ZKTCOKPYYOKBKS-OXWVMCNISA-N 561.619 4.832 0 40 KJAB CCOC(=O)c1[nH]c(COC(=O)CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)c(C(=O)OCC)c1C 12538717 KDGKQTXCKIDDAL-NYRSABAFSA-N 510.425 4.844 0 40 KJAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)COc2cccc(Br)c2)ccc1C 13138465 NSDLFQVZFYVFIQ-UHFFFAOYSA-N 505.390 4.584 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O 13495261 BSCCJDIWJMHSNK-DEOSSOPVSA-N 526.597 4.655 0 40 KJAB CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 13499643 BQSHPHHXTYJSJC-LADGPHEKSA-N 506.676 4.916 0 40 KJAB CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3ON2c2ccccc2)cc1OC 13776648 BZYYLYYTEBWSRW-PVHODMMVSA-N 502.567 4.934 0 40 KJAB COc1ccc(OC)c(NC(=O)[C@H]2SC(Nc3c(C)cccc3C)=C(C(=O)N3CCCCC3)C2=N)c1 18169544 DKHVCESFKQBBJM-DEOSSOPVSA-N 508.644 4.731 0 40 KJAB COc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC 22253496 MJJUJYSHPUPXEB-UHFFFAOYSA-N 508.518 4.941 0 40 KJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1 22525786 NHPZVPCKUUSRRA-JOCHJYFZSA-N 504.992 4.954 0 40 KJAB CCOC(=O)c1ccc(NC(=O)[C@H](CCSC)N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 29747756 NFRZVMZFJWNBKP-KRRUAPOPSA-N 554.668 4.816 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 59924558 JLBZFKWGLIGIAN-UHFFFAOYSA-N 592.139 4.584 0 40 KJAB Cc1ccc(C(=O)N2CCN(c3oc(-c4ccco4)nc3S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 64789820 JJBCWZIIQQSPES-UHFFFAOYSA-N 511.987 4.692 0 40 KJAB Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)nnn1CC(=O)Nc1ccc(Br)cc1F 67323264 OJTKCGWRXXEPQR-UHFFFAOYSA-N 501.143 4.686 0 40 KJAB CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(Cc3ccc(OC)cc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 70692156 WUHVFMXNNPAYGP-BNHRFMORSA-N 539.632 4.816 0 40 KJAB biogenic C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccncc3NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3)cc2)C1 97985286 GANHTJMTGHOHBX-OJJQZRKESA-N 667.854 4.919 0 40 KJAB CCN1C(=O)/C(=C/c2nc3ccc(I)cc3c(=O)n2-c2ccc(OC)cc2)c2ccccc21 100022963 JSPXXLMXNQUZNG-HMMYKYKNSA-N 549.368 4.906 0 40 KJAB CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 100050380 IFCAMEQHKHEHBS-YOGXEWEVSA-N 534.605 4.594 0 40 KJAB in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)C)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 100250949 QMSNFMCIRROPQC-YNMQQHPQSA-N 564.704 4.771 0 40 KJAB COc1ccc(N(C(=O)[C@@H]2COc3ccccc3O2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1OC 100322452 GRTKGGFPIAYBJO-URLMMPGGSA-N 546.620 4.773 0 40 KJAB COc1ccc(N(C(=O)[C@H]2COc3ccccc3O2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1OC 100322462 GRTKGGFPIAYBJO-FQLXRVMXSA-N 546.620 4.773 0 40 KJAB O=C1NC(=O)[C@@H]2Sc3c(sc(=O)n3-c3ccccc3)[C@H](c3cn(Cc4ccccc4)c4ccccc34)[C@@H]12 100864183 NHKZNQOKWPYMRU-WXFUMESZSA-N 523.639 4.781 0 40 KJAB CCOc1cc(C=O)cc(I)c1OCC(=O)Nc1ccc(Br)c(C)c1 100993627 CSVAUDIWIGPDLG-UHFFFAOYSA-N 518.145 4.591 0 40 KJAB CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cc(Br)ccc3OC)[C@H]2C1=O 101186971 JTIRNWDGRKBKGI-SMIHKQSGSA-N 523.383 4.908 0 40 KJAB CC(C)C[C@@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 101497362 QKVFMUSRIBHIJA-ASXOZOEASA-N 540.623 4.920 0 40 KJAB O=C(Cn1nc(-c2ccccc2)oc1=O)OCc1cc(Br)cc2c1O[C@H](c1ccccc1)OC2 102911450 PZXALWLRESFLNN-XMMPIXPASA-N 523.339 4.617 0 40 KJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 102941639 YKBKMZGTVSOQOD-VPBXCIAMSA-N 517.507 4.855 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 103357168 UIBFDALQWOEMCN-MRWVFDTMSA-N 614.720 4.793 0 40 KJAB Cc1cc(I)ccc1NC(=O)COC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 104533210 XIQIGXOGVSSYQM-NILVNCKXSA-N 532.216 4.815 0 40 KJAB CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 107705737 BBBZVZAWLSFYTA-ZDUSSCGKSA-N 508.431 4.835 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 222775860 TZLGEPFFCNWSGN-OAQYLSRUSA-N 640.371 4.696 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223101608 SDDFXWQRSMAHRF-RUZDIDTESA-N 562.519 4.536 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1 223309472 MEFWIYJMIYWYCW-XIFFEERXSA-N 613.736 4.733 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 223346313 ACYJDQCVZCYROV-INIZCTEOSA-N 593.371 4.856 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 223347085 QBSSAQXOQVAUIE-SFHVURJKSA-N 588.863 4.985 0 40 KJAB CCC1(CC)C[C@@H](NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)c2ccccc2O1 223381872 CKEWQMFOLFLAJH-XMMPIXPASA-N 536.650 4.852 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 223401105 NDJYQLUABWJXQJ-GDLZYMKVSA-N 578.134 4.890 0 40 KJAB COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](C(=O)NCc2ccncc2)c2ccccc2)cc1 223524261 FEMJBWDKEMNUJU-UUWRZZSWSA-N 626.779 4.894 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O 223569668 INRKDQBUZLHQOS-HHHXNRCGSA-N 600.579 4.554 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 223678478 CAJLYQOTZOSSTC-HHHXNRCGSA-N 549.737 4.955 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCCC2)c2ccc(C)cc2)cc1Br 223735008 CDPLSIXDHGIRFC-UHFFFAOYSA-N 509.466 4.658 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 223739950 WULRMVCAOWTNHZ-VWLOTQADSA-N 536.138 4.918 0 40 KJAB Cc1cccc(C)c1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 223916829 SIZUBJFGFZKWME-IBGZPJMESA-N 554.540 4.852 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 223925661 NYKXZYSMERCZRE-DEOSSOPVSA-N 570.539 4.686 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2cccc3cccc1c23 223955951 BRXUQBNXIDHLEW-QGZVFWFLSA-N 508.416 4.506 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 223958812 OQYCNUZRYCRAIZ-FQEVSTJZSA-N 590.515 4.727 0 40 KJAB CCOc1ccc(N(CC(=O)NCCOc2cc(C)cc(C)c2)S(=O)(=O)c2ccc(SC)cc2)cc1 224066360 HRVCZKKKMBVFGI-UHFFFAOYSA-N 528.696 4.815 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 224237038 RUDXMHPETWKWLD-LJQANCHMSA-N 542.529 4.729 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NCC(C)C)c2cccc(Cl)c2)cc1 224437800 QNQSLKVGIGGIGF-QFIPXVFZSA-N 602.153 4.742 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 224534099 RGHWEDXFSQEZBA-GDLZYMKVSA-N 623.772 4.774 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 224560738 MSENTXKDZYXPBI-MUUNZHRXSA-N 553.700 4.909 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224575443 ZXVRDUZJDCJOHA-NDEPHWFRSA-N 613.752 4.926 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 224723155 WEGCJNGEQBSAPQ-QHCPKHFHSA-N 586.980 4.757 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 224744671 WRYJDHIBIQHEBK-VWLOTQADSA-N 535.710 4.751 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)Oc3ccc(C)cc32)cc1 224883779 FXOUIIYREBAPJQ-QFIPXVFZSA-N 506.502 4.797 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 225017129 KQBLEEPAVSMUEU-MHZLTWQESA-N 535.710 4.862 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 225176515 RBKZSFZIIPSNBH-HSZRJFAPSA-N 569.699 4.672 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1OC 225256809 PPMAZDGLLIABRV-PMERELPUSA-N 621.800 4.867 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 225261332 JIYRJWMAQBTPHD-MHZLTWQESA-N 599.725 4.680 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 225343708 BYQDHOYBOQNCQO-FQEVSTJZSA-N 548.920 4.746 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 225365804 DEDNNGSJHWQLHX-HHHXNRCGSA-N 572.127 4.878 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 225376666 YLHKGZPLYNWPIT-SANMLTNESA-N 545.721 4.671 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 225378892 SABNKGPGPDBITJ-MUUNZHRXSA-N 570.155 4.971 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 225437063 WQCLZXCQCUNCST-DHIUTWEWSA-N 586.154 4.918 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 225525063 NSFUDDODHKNZLR-MUUNZHRXSA-N 630.605 4.780 0 40 KJAB C[C@@H]1CCCN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCc3ccc(F)cc3)n2)C1 225948185 HCFIXVXNANBNLI-OAQYLSRUSA-N 519.694 4.665 0 40 KJAB O=C1[C@@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]2[C@@H]2[C@@H](c3cccnc3)c3sc(=O)[nH]c3S[C@H]12 239425744 VEJCLUFPDMSGFZ-YOLPFRQPSA-N 529.565 4.528 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@@H](C)c3cc(OC)ccc3OC)Oc3ccc(C(C)(C)C)cc32)cc1 260790424 AVCZHIOVHJDMHP-HMILPKGGSA-N 568.692 4.844 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN(C)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 260978171 ARDNXXNZGLMJFS-GDLZYMKVSA-N 563.764 4.951 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 261006477 GBTCBQNKJBOXHE-RNAHPLFWSA-N 579.763 4.796 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 261125895 ZXBRFCRFDOHBFL-YZNIXAGQSA-N 563.764 4.951 0 40 KJAB Cc1cc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)S(C)(=O)=O)ccc1Br 408543057 CIFBZSDBPUQSMJ-UHFFFAOYSA-N 631.368 4.726 0 40 KJAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)ccc1N1C(=O)[C@H]2[C@@H](C)C=CC[C@H]2C1=O 408673133 WLRJJTMQIDVMTL-CBPVBXCKSA-N 506.986 4.617 0 40 KJAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)ccc1N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408674292 YZMSYDOZGDZWFZ-KBAYOESNSA-N 513.377 4.716 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2C)cc1 408675119 GNVBPQLMUGLEEU-UHFFFAOYSA-N 514.575 4.909 0 40 KJAB CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC)=C(C)N=2 408752124 FVOVQWWRHVJHSX-GJFKPFFXSA-N 519.022 4.614 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C\c3ccc(OCC)c(Cl)c3)c2=O)=N1 408833730 XUONSMQUVCQUIO-ZDQFFALBSA-N 541.069 4.639 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OC)c(=O)n2[C@H]1c1ccc(SC)cc1 408927159 VOVTUWUOSWKPKE-RZXXJPOTSA-N 732.403 4.738 0 40 KJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)c(I)o3)C2=O)c1 408953992 RICKGNYDJJKHGT-QPEQYQDCSA-N 547.168 4.630 0 40 KJAB COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1Br 408955779 QTEFHSZOBSZINU-GSOQPGDSSA-N 636.362 4.729 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cc(OC)ccc4OC)c(OCC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 408984267 GECQEOVEVDGQDZ-TZYWHCFRSA-N 704.798 4.819 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nnnn4-c4ccccc4)o3)c(=O)n2[C@H]1c1cccc(Cl)c1Cl 408990261 KDGGLFXLWRWABC-HAKLDRHFSA-N 639.546 4.825 0 40 KJAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc2c(c1)OCCO2 409010025 DAQFGBWKZOVAMO-UHFFFAOYSA-N 521.422 4.637 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCCC4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409086251 QEPVFLXFWUUBHA-JYXZFHPPSA-N 644.588 4.942 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409121160 WQCLSUYVKMKMRO-GKKFRVOYSA-N 697.595 4.887 0 40 KJAB O=C(Cn1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c2ccccc21)NC[C@@H]1CCCO1 409144345 FMANHYZHVOYTFW-BIFQTZPZSA-N 554.466 4.936 0 40 KJAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc1OC 409158569 RMDHCNQGUHAQKR-UNOMPAQXSA-N 505.390 4.922 0 40 KJAB O=C(O)COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)c2ccc(Br)cc2)C1=O 409221733 AHFONEMLZJIYOI-CAOOACKPSA-N 555.200 4.594 0 40 KJAB COCCNC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 409258952 YKVDRWQKOWFRRJ-UHFFFAOYSA-N 550.464 4.512 0 40 KJAB O=C(CSc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1)NC12CC3CC(CC(C3)C1)C2 409333514 HSPHADZOQAYZPY-LUDWRAFCSA-N 519.692 4.785 0 40 KJAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)Nc1ccccc1Br 409353961 VNYGDTCNRPDEKV-UHFFFAOYSA-N 501.830 4.731 0 40 KJAB Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CN(C(=O)COc3ccccc3)CCO2)ccc1Cl 585287170 VHSAIMGJVRVHBR-SSEXGKCCSA-N 537.056 4.753 0 40 KJAB Cc1nonc1COc1ccc(C(=O)N2CCC3(CCCCCc4ccccc4OCCN(C)C3=O)CC2)cc1 643561758 HCDZOOFSKPUHCA-UHFFFAOYSA-N 546.668 4.833 0 40 KJAB Cc1ccc(NC(=O)CCc2ccc3c(c2)CN(Cc2ccccc2)CC(=O)NCCCCCO3)cn1 643574993 AGPHSNJRZQZHCB-UHFFFAOYSA-N 500.643 4.642 0 40 KJAB O=C(COCCOCCOCC(=O)OCC(=O)Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)OCC(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 2060990673 XGGFXNSTWCEWSC-UHFFFAOYSA-N 778.719 4.881 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(-c4ccccc4)[nH]c4ccccc34)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 2173811 NNUXLLNIFICBMX-SFKHYTNKSA-N 563.635 4.675 0 40 KJAB Cc1c(Cl)cnc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)c1Cl 2640101 BGCWWOKJYZHBRQ-CQSZACIVSA-N 534.421 4.632 0 40 KJAB aggregator CCOC(=O)c1c(NC(=O)CSc2nnc3c(C)cc4ccc(OC)cc4n23)sc(C(C)=O)c1C 6089474 ZYAVALPZWSUJIM-UHFFFAOYSA-N 512.613 4.680 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(OC)cc3)n2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 6973495 KXELSWMSOOABGI-PMERELPUSA-N 586.668 4.715 0 40 KJAB CCOC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(Br)cc1 8691492 HWJSXQRKMJTQQU-NIRIFSCTSA-N 502.405 4.796 0 40 KJAB CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2Cc2ccc(F)cc2)cc1 9934152 OYYDNJQECBANPJ-VWLOTQADSA-N 505.546 4.989 0 40 KJAB COc1cccc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(=O)(=O)c2cc(C)ccc2OC)c1 10300001 KXRYVEOKWMGSCE-UHFFFAOYSA-N 508.518 4.865 0 40 KJAB CC(C)CNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 10692639 NWYKQTAPVRUFQP-UHFFFAOYSA-N 526.486 4.560 0 40 KJAB C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](C(=O)O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 12658421 QYBSXKYHQWICLF-MLZPMDIISA-N 518.654 4.628 0 40 KJAB biogenic COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccc(F)cc2)cc1 12712885 CLHKRFLDLAOUJP-MUUNZHRXSA-N 517.605 4.511 0 40 KJAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NC[C@@H](C)c2ccccc2)C(=O)[C@]31C 12863359 RZAAJOYUVVTPMO-KKIUXKEOSA-N 522.605 4.950 0 40 KJAB biogenic 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KJAB Cc1ccc(S(=O)(=O)NCCCN(CCCN(CCCNS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 95101047 STSGQOHRBRZRBQ-UHFFFAOYSA-N 805.079 4.729 0 40 KJAB COc1ccccc1-n1c(CNC(=O)c2cccs2)nnc1SCC(=O)Nc1nc2ccccc2s1 97961672 VECPOSBXRZDDSF-UHFFFAOYSA-N 536.664 4.608 0 40 KJAB Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 100330764 KFCIYLYINKWIAU-WBEMDPPOSA-N 560.038 4.691 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1OC)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21 100355751 ZSDWXYIRCPXSHC-NDEPHWFRSA-N 543.668 4.566 0 40 KJAB Fc1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CCN([C@@H](c3ccccc3)c3nnnn3Cc3ccc(F)cc3)CC2)cc1 100435197 JWVIJUNGGXCZLL-ACHIHNKUSA-N 618.696 4.531 0 40 KJAB COc1cc(-c2nc3s/c(=C\c4ccc(-c5cccc(C(F)(F)F)c5)o4)c(=O)n3n2)cc(OC)c1OC 100870876 VJARENKIKDAMPN-NDENLUEZSA-N 529.496 4.670 0 40 KJAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)cccc2c1=O 103048676 RYRHLMRVYMJKPP-UHFFFAOYSA-N 573.671 4.642 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 103726227 OIXGUMKMSMSABH-RCINHUAHSA-N 557.672 4.543 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@H]1c1ccc(F)cc1 103904290 LOGBZTSAJVVBNK-YHSGTQGLSA-N 569.477 4.899 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1C(=O)N1CCC(C)CC1 112236780 PBGDPERCCAAJCA-UHFFFAOYSA-N 622.563 4.931 0 40 KJAB COc1ccc(OC)c(N(CC(=O)NCc2ccc(CN3CCCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 139871863 DAXOGGVPIAUFDS-UHFFFAOYSA-N 551.709 4.510 0 40 KJAB CCOc1ccc(N(CC(=O)NCc2ccc(CN3CCCCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 139877179 JUAUTSUQPAWIPC-UHFFFAOYSA-N 581.735 4.600 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 163663555 UBMNAVMAZHMGEB-LMSRTUJASA-N 656.498 4.680 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 222533066 JHPRXZIVAYZGQP-HKBQPEDESA-N 621.800 4.867 0 40 KJAB 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531.461 4.894 0 40 KJAB Cc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 409125081 BWZFSKPWAWDENC-UHFFFAOYSA-N 514.047 4.868 0 40 KJAB COc1ccc(Cl)cc1NC(=O)CSc1nnc([C@@H](NC(=O)c2ccc(C)cc2)C(C)C)n1C 409152940 LOKBGBJMNRIREE-NRFANRHFSA-N 502.040 4.643 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1OCc1ccccc1F 409206552 WYBJLPOUTCWIKQ-WPWMEQJKSA-N 577.634 4.925 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1OC 409217702 ADYLIITVGXEGQR-QGMBQPNBSA-N 648.834 4.709 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409259299 YCVDYPLMTFRHHJ-UHFFFAOYSA-N 580.128 4.603 0 40 KJAB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccccc4C(=O)O)o3)C2=O)cc1Cl 409274354 WHXVHUALVCCPPS-JAIQZWGSSA-N 512.927 4.982 0 40 KJAB CCCOC(=O)c1cccc(NC(=O)CSc2nnc(CNC(=O)/C=C/c3ccccc3Cl)n2CC)c1 409350658 UIPMSQKELBEDEP-OUKQBFOZSA-N 542.061 4.579 0 40 KJAB CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1ccc(Br)c(Cl)c1 409353127 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CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)O)c(Cl)cc12 2132225 KLXAREHGBGYIKD-RCDICMHDSA-N 526.973 4.555 0 40 KJAB biogenic CSc1nc(SCC(=O)N2CCOCC2)c2sc3nc(C(C)C)c4c(c3c2n1)CC(C)(C)OC4 2425983 NXAIMNOAXZHJHL-UHFFFAOYSA-N 518.730 4.887 0 40 KJAB Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 4523197 WRFWNCVDEVBPJK-CRNZTWHPSA-N 537.620 4.694 0 40 KJAB CCOc1ccccc1C(c1c(C)n(C)n(-c2ccccc2)c1=O)c1c(C)n(C)n(-c2ccccc2)c1=O 6631358 DJZSLRACLMSDBA-UHFFFAOYSA-N 508.622 4.861 0 40 KJAB CC(C)[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8789039 ACSXVGMPRROKDL-LVXARBLLSA-N 512.532 4.563 0 40 KJAB biogenic COc1ccc(N(CC(=O)NCCSc2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 8918782 OSPBGPXPDLXQJL-UHFFFAOYSA-N 509.024 4.592 0 40 KJAB CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(Cc3ccc(F)cc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 12873505 PQDHLJDHVAXYRF-IPBJYNAHSA-N 527.596 4.946 0 40 KJAB biogenic COc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2cccc(C)c2)cc1OC 13030573 LDUQBCDOMKNYHX-LJAQVGFWSA-N 529.641 4.694 0 40 KJAB CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 13064631 VFFBMIIEMFGLDL-AHKZPQOWSA-N 500.647 4.506 0 40 KJAB COC(=O)c1cc2cc(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(F)cc3)ccc2s1 20010966 GGNNBQXTTMAGHZ-UHFFFAOYSA-N 512.584 4.657 0 40 KJAB Cc1cccc(NC(=O)CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)c1 20029598 DYUDERILVGHZKI-UHFFFAOYSA-N 505.669 4.994 0 40 KJAB C/C=C(/C)C(=O)O[C@@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C[C@H](C)[C@@]1(C)O 33842432 BKGUPIVDQHHVMV-ATODGADHSA-N 514.571 4.610 0 40 KJAB biogenic,in-vitro O=C(NC[C@@H]1CCCO1)[C@H](c1cccs1)N(C(=O)c1ccc(CN2CCOCC2)o1)c1ccc(Cl)cc1 38153722 YEJBCUZSGCLNDR-OFVILXPXSA-N 544.073 4.510 0 40 KJAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N[C@@H]1CCCc2ccccc21 59834714 NQNONRNMRMSDEZ-RUZDIDTESA-N 527.484 4.876 0 40 KJAB CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 61943452 BGDFYIBNSIWRMJ-UHFFFAOYSA-N 518.536 4.523 0 40 KJAB CCn1nc(C)c(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)c1C 97947917 UEJHXCMDAKQMTQ-KMBIYUNPSA-N 546.096 4.669 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(Cc3ccc(F)cc3)C2=S)cc1 97952008 KFCJOTYDIZLILC-DEOSSOPVSA-N 535.597 4.542 0 40 KJAB COc1cc(COc2ccc3c(C)c(CC(=O)N4CC[C@]5(O)CCCC[C@H]5C4)c(=O)oc3c2C)cc(OC)c1OC 98000356 GKONWEVJMOMYAD-GHRAFVERSA-N 565.663 4.711 0 40 KJAB biogenic COC(=O)c1sc2nc(CSc3nnc(COc4ccc(Cl)cc4)n3Cc3ccco3)[nH]c(=O)c2c1C 102273880 KVWXOTPJQOJEJH-UHFFFAOYSA-N 558.041 4.837 0 40 KJAB CCCC[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 102934384 OWXXLULDVPESHP-QFIPXVFZSA-N 531.034 4.902 0 40 KJAB COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(N2CCN(C(C)=O)CC2)c(Cl)c1 105317036 KMUKVHQYYOBSLA-UHFFFAOYSA-N 604.752 4.669 0 40 KJAB CCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC 106578641 SMLQJVBWHUGBED-USDTVRPUSA-N 594.730 4.782 0 40 KJAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c1 113624271 MJISPAGBGPTZLY-UHFFFAOYSA-N 578.428 4.610 0 40 KJAB O=C(O)/C(=C\c1cc(I)c(O)c(I)c1)c1ccc(I)cc1 150363368 PPTRTPWUTBZHIW-WZUFQYTHSA-N 617.946 4.831 0 40 KJAB CC(=O)O[C@H]1C(=C(Br)Br)[C@@H](COC(=O)c2ccccc2)O[C@@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21 150422431 YUWLLZMGRZVIOZ-JDITYXQVSA-N 671.302 4.766 0 40 KJAB COc1ccc(CNC(=O)CCCCCn2c(SCc3cc(=O)n4cc(Cl)ccc4n3)nc3cc4c(cc3c2=O)OCO4)cc1 150439890 GJNXOQULCUHJKH-UHFFFAOYSA-N 648.141 4.964 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)cc1 222526286 HHKCKFPCQVJJJN-PMERELPUSA-N 579.763 4.572 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 223041213 ZAUPMMRGYCJIGW-SANMLTNESA-N 542.101 4.706 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 223260490 LATYCQAHCLMEMC-DEOSSOPVSA-N 515.720 4.607 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)cc1 223810736 IVPXWLPGKPDHRD-VWLOTQADSA-N 577.747 4.983 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 223823652 PLVCQIBWXZNFQE-SFHVURJKSA-N 566.482 4.881 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 224187895 SPDLIUGJFKDLBE-VWLOTQADSA-N 572.127 4.796 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1 224188157 DZHUQBVPOYHSCZ-SFHVURJKSA-N 562.054 4.623 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 224262206 DJYRARNWWITQDT-INIZCTEOSA-N 548.920 4.602 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 224341187 PGOPTJOBCBNIPT-HSZRJFAPSA-N 554.540 4.934 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 224400924 ADZPYRZYAPZCBD-NDEPHWFRSA-N 567.727 4.763 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 224403997 RKDACKOMTRBRHQ-RUZDIDTESA-N 553.647 4.516 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 224504021 JDZJZDBQFOZPFU-DEOSSOPVSA-N 570.539 4.634 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 224537416 DBNLQSKYXRDNEW-XMMPIXPASA-N 602.540 4.693 0 40 KJAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 224603025 FUBKPCQHHWDKQC-SANMLTNESA-N 556.128 4.830 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)c1 224718676 XIOHYCKIJYDVCQ-NRFANRHFSA-N 578.573 4.698 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224802449 YPWVGWPLQAOKIP-LJAQVGFWSA-N 549.737 4.543 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224958625 PRULUTKZWKEHJB-NDEPHWFRSA-N 595.762 4.521 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 225087309 HKMAOHMOOWSGDN-HHHXNRCGSA-N 535.710 4.832 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 225221393 DWDNGJZFNXOLRM-NRFANRHFSA-N 578.573 4.862 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2cccnc2)cc1Cl 225238535 GABHCORDANXYRE-CLJLJLNGSA-N 533.057 4.991 0 40 KJAB COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(NS(C)(=O)=O)c(C)c1 225469032 VDSJSFUAEKBXNZ-IZZNHLLZSA-N 561.689 4.516 0 40 KJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1NS(C)(=O)=O 225493532 SEPMGBRGDBXOHZ-RPBOFIJWSA-N 525.700 4.946 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1Cl 225578527 KORXSHSZCQDYJG-NRFANRHFSA-N 560.091 4.925 0 40 KJAB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CCCN3CCOCC3)c2C)c1 225627656 MJQIQRZHVAOIJJ-FIRIVFDPSA-N 574.795 4.840 0 40 KJAB CCN(CC(=O)Nc1cc(-c2csc(NC)n2)ccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl 226058985 KOGINOLAJYXTSH-UHFFFAOYSA-N 529.471 4.817 0 40 KJAB O=C(C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N1CCc2cc(Br)ccc21 226075160 JGIDIRRNIRRPGE-UHFFFAOYSA-N 518.260 4.746 0 40 KJAB COC(=O)[C@@H]1[C@H](C)[C@H](OC)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H]1C 252286711 BZOQTGADCSFWHV-XGTLRVJHSA-N 697.778 4.612 0 40 KJAB CC(C)Cc1cc(C(=O)N2CCC(COc3cccc(Cl)c3)(CC(=O)N3CCCCC3)CC2)n(C)n1 257249246 JHLZGSCLLLZTFZ-UHFFFAOYSA-N 515.098 4.976 0 40 KJAB O=C(C[C@]1(COc2ccc(Cl)cc2)CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1)N1CCCCC1 257306238 STKAQMDLZWJOOG-RUZDIDTESA-N 527.033 4.871 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)c1 260720340 GRBYRSUGQLDNFH-JOCHJYFZSA-N 616.578 4.903 0 40 KJAB Cc1cc(Cl)ccc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O 260720680 HEDVSQCRCOXDGX-MRXNPFEDSA-N 548.920 4.663 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c(C)c1 260857129 GQCXWNMGTJJDFN-MUUNZHRXSA-N 570.155 4.888 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 260884209 PHJFIXHPNPUHDG-HHHXNRCGSA-N 586.154 4.588 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)C)c2ccc(F)cc2)cc1 260917344 ZXJPMNFTRGKGAH-HXUWFJFHSA-N 620.541 4.734 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 260961175 LDXRUDLQFAQXDM-JPYJTQIMSA-N 542.529 4.790 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 261001881 FKXPCYRGCOCUNS-MUUNZHRXSA-N 630.605 4.636 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 261034380 XQDFWOWOAFWDKI-XXBNENTESA-N 540.101 4.747 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 261042838 YUQFLGKPFGZTFC-OUTSHDOLSA-N 565.736 4.921 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 261101488 WAWGVJFRGHXZGG-MUUNZHRXSA-N 579.763 4.715 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)sc2c1CCCC2 408546877 HBKSDWPMPOLGGM-UHFFFAOYSA-N 516.616 4.777 0 40 KJAB CCOc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)Nc2cccc(OC)c2)cc1 408577960 RFCTXMVWWREBIP-UHFFFAOYSA-N 551.397 4.772 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc(Cl)cc1 408641975 LRCROYUNKODNLM-JKUBGBAOSA-N 529.807 4.940 0 40 KJAB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)c1 408712175 MEZJCXUJNHHXMD-GOSISDBHSA-N 536.075 4.551 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408770024 RWZOFQNNMDCCBV-KKGUTSHJSA-N 628.328 4.590 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c2=O)=N1 408862759 IVXAEFCWLIVVSW-ASSGYOTOSA-N 628.589 4.894 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 408990033 UZHYICVHIMEGBB-SOJUGJLBSA-N 611.695 4.958 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408994078 FNVWRYYUCFSRCF-PNZYDNNZSA-N 563.031 4.718 0 40 KJAB 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LWMUEZKDNZCONT-JBEBIEQOSA-N 548.411 4.848 0 40 KJAB biogenic OCCCN(Cc1cccc(OCCN2CCCCC2)c1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 585271601 GGVKBAVZJFSLFX-HHHXNRCGSA-N 515.698 4.905 0 40 KJAB N[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCOCCOc2ccccc2Oc2ccc(Cl)cc2NC(=O)C1 643555776 FICXXXGORLOEID-NRFANRHFSA-N 544.435 4.532 0 40 KJAB COc1ccc(C(=O)N2CCN(C(C)C)CCCN(C(C)=O)c3cc(F)ccc3C2)cc1-n1cccc1 643558606 RAHXLSUKIUYDDE-UHFFFAOYSA-N 506.622 4.734 0 40 KJAB Cc1ccc(C(C)C)c(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)COc3ccccc3C(=O)N2)c1 643578097 FHWYOHLFIOSHQW-POLDFPFKSA-N 636.834 4.599 0 40 KJAB COC(=O)c1ccccc1NC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 891349 HYSKYGJTLAGQBN-UHFFFAOYSA-N 533.581 4.624 0 40 KJAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(Cl)cc3)cc2c1 923897 LGFBXYGKXPAOBS-UHFFFAOYSA-N 510.999 4.864 0 40 KJAB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCCC(C)C)c(OC)c4)c(=O)n32)cc1 2665963 YGGJHNNAWWMAHZ-ASZNLBCTSA-N 564.704 4.629 0 40 KJAB 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CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC 101112754 XITPCMNFQGWLBM-PVHODMMVSA-N 502.567 4.934 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1OCC(=O)OC 106687158 UEOLFPLYCONHBU-WQRHYEAKSA-N 506.374 4.636 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 108243026 DMJXYGTWJKWZEC-QHCPKHFHSA-N 540.648 4.563 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC 163983264 FDOCPDOBDAUVKO-XQNWCSQWSA-N 696.563 4.999 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 222416443 IXNHMPPWFJUMHI-MUUNZHRXSA-N 535.710 4.831 0 40 KJAB O=C(NCCNc1ccnc2cc(Cl)ccc12)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 222546363 MKJMUPWAFMMLPH-OAHLLOKOSA-N 541.888 4.824 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 222615575 QZZQXPRPXAQLME-RPLLCQBOSA-N 529.747 4.614 0 40 KJAB Cc1c(Cl)cccc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 222727592 OFVXMVVGFDLMDU-NDEPHWFRSA-N 588.145 4.966 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c1 222803475 OPDDUAVEBAEURZ-NDEPHWFRSA-N 614.606 4.936 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 222953024 AHDKJYLVAALBJV-JOCHJYFZSA-N 586.552 4.978 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 222957895 NCLDXDMKJARGNH-OAHLLOKOSA-N 548.920 4.745 0 40 KJAB O=C(NC[C@H]1CCCO1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 223147440 RJPGDQMSROHRPB-SXOMAYOGSA-N 507.030 4.654 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 223207295 UMLZLQOTCXHXAE-RUZDIDTESA-N 579.616 4.902 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 223356868 UZIIXNIXQGWQSN-NRFANRHFSA-N 548.492 4.989 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223376301 XPDWRQWUUYHYKK-NRFANRHFSA-N 562.054 4.847 0 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NNFLSBIHENJLMW-UHFFFAOYSA-N 502.640 4.694 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)c1 224720778 AOVBUVBTTSPCCP-QHCPKHFHSA-N 541.758 4.925 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(I)cc1 225520771 AUEJDLVVZBYTIS-XMSQKQJNSA-N 522.427 4.701 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 225547354 SJNJRGBNMUEZKF-IBGZPJMESA-N 528.074 4.724 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 225626879 JHZNKJAVNIQBEO-FDDCHVKYSA-N 586.980 4.899 0 40 KJAB COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccccc1C 225696970 HRAOYKIVHZWZOB-VSGBNLITSA-N 539.661 4.969 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 225742550 VGWVBODFAQQIRB-LJAQVGFWSA-N 549.737 4.645 0 40 KJAB COc1cc(CN(C)C(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 226029296 RAZXBUQEJFQYMM-UHFFFAOYSA-N 547.073 4.524 0 40 KJAB CN1CCN(C(=O)C[C@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)CC[C@@H]2Oc2cccc(Br)c2)CC1 257265001 LWWOZGPYKZPSAF-CVDCTZTESA-N 568.434 4.542 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCNc3ccnc4cc(Cl)ccc34)C2)cc1C 260749327 UUKMMZIIRSJXIC-FQEVSTJZSA-N 545.105 4.614 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)c2ccc(C)c(C)c2)cc1 260754819 RBWZVFNPGJBAPB-AREMUKBSSA-N 549.737 4.792 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC2CCCCC2)c2ccccc2OC)cc1 260758378 DEVBWSDJBSBFRW-XMMPIXPASA-N 623.772 4.774 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)c1 260795160 MTXUGKQFGXDYTK-JOCHJYFZSA-N 567.683 4.506 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 260923796 UMMJTOPCFNIGDW-RUZDIDTESA-N 565.736 4.779 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c2ccc(F)cc2)cc1 260999128 RIHKAJKKIGYOMJ-PKTZIBPZSA-N 599.725 4.760 0 40 KJAB COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408542036 JHYQNLJBFRRJHC-IMRQLAEWSA-N 582.657 4.740 0 40 KJAB COc1cc(NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c(OC)cc1Cl 408623468 RDFVERGDFSUELE-UHFFFAOYSA-N 506.983 4.634 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1cccc(Br)c1 408624418 UKLMDICUGVOZRF-UHFFFAOYSA-N 517.445 4.638 0 40 KJAB COc1cccc(N(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)S(=O)(=O)c2ccc(C)cc2)c1 408630074 NDRYOHGAIRKGEB-UHFFFAOYSA-N 547.599 4.567 0 40 KJAB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)cc1 408638030 BNMFPPKXKLSYDY-ZEQRLZLVSA-N 595.073 4.831 0 40 KJAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CC=C[C@H](C)[C@H]5C4=O)c(C)c3)CC2=O)cc1Cl 408639265 FKJBUIGYYNMZGD-GHAJIGNDSA-N 506.986 4.617 0 40 KJAB Cc1cc(C)cc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408670638 YDTYTUKNAGVXTR-OJKWPBSESA-N 505.401 4.835 0 40 KJAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3)CC2)cc1 408677065 AFOXGPIENUQRMV-UHFFFAOYSA-N 559.735 4.557 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408734358 FUKSLNZHCLSRSK-RWTNITNYSA-N 561.487 4.903 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccccc4Cl)c(=O)n32)c(OC)c1 408979541 RMLLVWJVTCPIPF-LMSRTUJASA-N 546.048 4.545 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C2CCCCC2)cc1OC 409003629 IVMBYTQGBQMQTL-UHFFFAOYSA-N 500.539 4.685 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(I)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409077066 CRPFKFKSGJWEOU-DMGNWNAPSA-N 752.219 4.928 0 40 KJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 409119700 QBFKYGCSLNLAQT-SFHVURJKSA-N 500.020 4.702 0 40 KJAB COC(=O)COc1cc(Br)c(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1OC 409127970 DISXYWQMHFKJDQ-UDWIEESQSA-N 520.401 4.679 0 40 KJAB CCc1cccc2c(/C=C3\SC(=O)N(c4ccc(Cl)cc4)C3=O)cn(CC(=O)N3CCOCC3)c12 409141260 HXOKQWGRXDAYSY-HMAPJEAMSA-N 510.015 4.957 0 40 KJAB CCn1c(SCC(=O)Nc2nccs2)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 409164165 DKOYDVJWRLEUGH-INIZCTEOSA-N 513.476 4.919 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 409184713 ZNBREQZQLZAIEB-UHFFFAOYSA-N 592.139 4.747 0 40 KJAB O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2 409336833 UYDXWZQEBJEYFB-UHFFFAOYSA-N 541.840 4.883 0 40 KJAB Cc1cc(C)n(CCOc2ccc(CN(CCCO)C[C@H](O)Cn3c4ccccc4c4ccccc43)cc2)n1 585270070 DDAXVQQCGNOSHI-MHZLTWQESA-N 526.681 4.932 0 40 KJAB Cc1ccc2cc(C(=O)N3CCN(C(C)C)CCCN(S(C)(=O)=O)c4cc(Cl)ccc4C3)oc2c1 643555792 FQELQKIJYLBCQP-UHFFFAOYSA-N 518.079 4.917 0 40 KJAB CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccnc2)C(=O)[C@H]2COc3ccccc3O2)cc1 930883 KQUAJRIYXLRIFU-FQLXRVMXSA-N 529.637 4.839 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1326042 GSYLLYDMAXBTMZ-DEOSSOPVSA-N 528.638 4.549 0 40 KJAB CC(C)CCNC(=O)[C@@H](C)N(C(=O)Cn1nnc(-c2ccccc2F)n1)c1ccc(Cl)c(C(F)(F)F)c1 6134051 PGAUPRCSQJONAV-OAHLLOKOSA-N 540.949 4.735 0 40 KJAB CCC[C@@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(=O)NC2CCCCC2)c1N)C1CCCCC1 6501009 QXOMZGKVIMCZEJ-NRFANRHFSA-N 517.740 4.790 0 40 KJAB COc1ccccc1C(=O)NCc1nnc(SCC(=O)N2CCCc3ccccc32)n1-c1cccc(C)c1 9404197 MYVZCTBCHXNWMZ-UHFFFAOYSA-N 527.650 4.586 0 40 KJAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCCCCCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 11867186 GBZYBALMYRKYFJ-WBBHLRKXSA-N 540.701 4.653 0 40 KJAB COc1cccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)c1 13030414 SHNMAFRJBAIEEN-GDLZYMKVSA-N 527.625 4.579 0 40 KJAB O=C(Nc1cccc(Br)c1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 13677034 IIZVMOCEOVJHKQ-CYBMUJFWSA-N 506.249 4.936 0 40 KJAB O=C(Nc1cccc(Br)c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 13681502 MXUWQCNTLLWRBV-UHFFFAOYSA-N 506.249 4.936 0 40 KJAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 19818513 GSAHTXMQWLDDCM-IZZNHLLZSA-N 523.630 4.622 0 40 KJAB Cc1ccccc1NC(=O)c1nc(S(C)(=O)=O)ncc1N(Cc1ccc(Cl)cc1)Cc1ccco1 27747641 XLGUQGWFRJPVBW-UHFFFAOYSA-N 511.003 4.894 0 40 KJAB O=c1/c(=C/C(Br)=C/c2ccccc2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2 31934179 AUZKMLZHOPKJQJ-AIRXBPKASA-N 500.421 4.753 0 40 KJAB C[C@H]1CCCN(S(=O)(=O)c2ccc(N(C(=O)c3cnccn3)[C@H](C(=O)NC3CCCCC3)c3cccs3)cc2)C1 38152588 YWZQIEPJQIDEQV-IDISGSTGSA-N 581.764 4.796 0 40 KJAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 59646550 BJSJCPKIAPHLLP-OAHLLOKOSA-N 606.044 4.961 0 40 KJAB CCOC(=O)[C@H]1C(=O)N(CC(=O)c2ccc(Br)cc2)c2nc3ccccc3n2[C@H]1c1ccccc1 59781862 NLAYKIHZQVAQQG-RPWUZVMVSA-N 532.394 4.797 0 40 KJAB Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2CCN(C(=O)c3ccccc3F)CC2)cc1 64789811 STOAJFXVWSDVEB-UHFFFAOYSA-N 511.600 4.646 0 40 KJAB C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3C(=O)[C@H](Br)[C@@H]4C[C@H](C(=O)O)CC[C@]4(C)[C@H]3C[C@H](C(=O)O)[C@]12C 68569366 BHRXAICFKZIDHZ-ALOMOXHESA-N 541.479 4.710 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N3CCN(/C=C/c4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 70699332 BDXBVMGZWRXZNU-RTHBMQBDSA-N 555.675 4.656 0 40 KJAB biogenic CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](C)C(=O)O)C(=O)N32)cc1 70704776 KFLSBOWSGYHNDA-YFCOXDMTSA-N 550.615 4.977 0 40 KJAB biogenic COc1cc(OCCCCC(=O)O)cc(OC)c1[C@@H](N)C(=O)OCC1c2ccccc2-c2ccccc21 77024912 AIIVYHWPYVLSNW-MUUNZHRXSA-N 505.567 4.693 0 40 KJAB C[C@H](CCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)[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@@]21C 79188130 WSTKGNAYSQFSDX-GFNPSOAPSA-N 622.847 4.904 0 40 KJAB biogenic CCOC(=O)c1c(N)n(-c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)c2nc3ccccc3nc12 97954461 QGMBDFAGVLWBGN-UHFFFAOYSA-N 541.564 4.611 0 40 KJAB CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2Cc2ccc(N3CCCC3=O)cc2)cc1 97995432 WZRYKNITJZPPFK-HHHXNRCGSA-N 572.687 4.752 0 40 KJAB CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@H](O)CN2CCN(CCO)CC2)c2ccccc12 98000380 DYWOHBWEOVFXIR-MUUNZHRXSA-N 569.746 4.998 0 40 KJAB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1OC(F)F 98046210 CSXNKWBZPZCUSC-XOYGFPHKSA-N 553.612 4.545 0 40 KJAB CC(C)OC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(I)cc3)o2)cc1 100062114 HJNMLSRZDVAZIU-UHFFFAOYSA-N 523.352 4.637 0 40 KJAB COCCN(C(=O)CSc1nnc(COc2ccccc2C)o1)c1nc(-c2ccc(OC)cc2)cs1 100271943 WUZOJSQTAUPYPP-UHFFFAOYSA-N 526.640 4.861 0 40 KJAB COc1ccc(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)N2[C@H]3CC[C@@H]2C[C@@H](OC(=O)c2ccc(OC)c(OC)c2)C3)cc1OC 100763136 JAXWQXGHHUWAKY-GDXAGGOLSA-N 608.688 4.846 0 40 KJAB biogenic CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccc(F)cc3)C(=O)N12)C(=O)NC1CCCCC1 102740603 KKUKRBDEACTEGJ-DQEYMECFSA-N 563.699 4.842 0 40 KJAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)/C=C\c2cccc(Br)c2)ccc1N1CCOCC1 103011786 ADOCTKBVFCVONP-XFXZXTDPSA-N 572.481 4.747 0 40 KJAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 103080081 AMFVOSHYVGWBAZ-UHFFFAOYSA-N 580.465 4.747 0 40 KJAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1Br 105023448 KYAVRVMSHATJMS-UHFFFAOYSA-N 524.396 4.775 0 40 KJAB O=C(Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1)c1cccc(I)c1 105394555 MRMRSZUACUVYLG-NTEUORMPSA-N 537.401 4.906 0 40 KJAB CCc1ccc(-n2cc/c(=N\c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)c(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)n2)cc1 150388480 AHAMYCRDNBNHOB-QLZPYJRVSA-N 748.928 4.515 0 40 KJAB CC1(C)[C@H]2C[C@@H]1C[C@H](NS(=O)(=O)c1ccc(I)cc1)[C@H]2C/C=C/CCCC(=O)O 205410750 SZNMERGTFJHNSM-BZSVIYILSA-N 531.456 4.822 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 222424481 YWZFHGNPCWTBBE-MUUNZHRXSA-N 595.762 4.848 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 222522851 LCVGEZRAPRRMQA-FUFSCUOVSA-N 625.788 4.938 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)N(C)C)c1 222615624 PQOTWISQVCDGPJ-PMERELPUSA-N 613.224 4.982 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](CC)C(=O)NC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 222630340 AJFYRNNKHSHXPI-NDEPHWFRSA-N 629.751 4.769 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCCO2 222787188 UNCMKBQACLBEAM-HHHXNRCGSA-N 518.629 4.942 0 40 KJAB C[C@@H](C(=O)NCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 222865151 DZFOYWRUKZWDIN-QFIPXVFZSA-N 593.652 4.878 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 222866569 RZSQFMNMDIXSGR-SSEXGKCCSA-N 666.196 4.947 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 223028874 XYTOFSYIANAGRD-QHCPKHFHSA-N 551.709 4.531 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 223264815 PWVMYICWGRXDBR-VWLOTQADSA-N 529.747 4.880 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 223330815 IXNCAOCUHQKULB-OAQYLSRUSA-N 572.953 4.591 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 223434990 USWZYJLOJFQZAY-XMMPIXPASA-N 533.710 4.711 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)NCc2ccncc2)c2ccccc2)cc1 223451582 NUPLUASSLVPFMS-WJOKGBTCSA-N 588.705 4.538 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 223814084 NXUNHYFHTSQBHQ-OAQYLSRUSA-N 546.492 4.622 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 223869493 FUWPXZLDHHTKMZ-OAQYLSRUSA-N 573.662 4.502 0 40 KJAB COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N2CCOCC2)cc1 223956613 PALSTTOAHQANGF-WUFINQPMSA-N 539.661 4.673 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224056089 JIWXWTVVIKWOTQ-MUUNZHRXSA-N 595.762 4.665 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(SC)cc1 224118518 CUDZGIYTTQEYGE-AREMUKBSSA-N 583.776 4.946 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 224161449 SHBVIQZBUANMHN-FQEVSTJZSA-N 548.920 4.665 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 224206599 XBZWUIWPXMXBNU-MUUNZHRXSA-N 569.699 4.672 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 224257808 CKPQHRLHOAKQTH-INIZCTEOSA-N 582.472 4.968 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 224258071 BWNWJLDQGUESEY-INIZCTEOSA-N 548.920 4.602 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 224259733 ZKVYOKFRKCNHPJ-QFIPXVFZSA-N 554.540 4.934 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 224520767 YVXDFGUYTJQRRC-QHCPKHFHSA-N 587.545 4.612 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(Br)cc1 224726386 SBAHBBFHGYLPQO-OAHLLOKOSA-N 512.242 4.532 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 224791793 AYWHKSFMHXQPLI-QFIPXVFZSA-N 654.398 4.944 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 224826538 SJTXHMPSTUOWBV-PMERELPUSA-N 591.774 4.777 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 224972747 VBSYOPPHXDOODJ-GOSISDBHSA-N 550.508 4.711 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 225016284 OIIVVSMLKXHNNK-QFIPXVFZSA-N 616.578 4.905 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 225060641 OCPLGGPRTBZRPK-DNQXCXABSA-N 551.709 4.531 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 225062810 UIMJSIFNKTWUQJ-HHHXNRCGSA-N 527.731 4.652 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 225062876 IYYSCRXSPOIENN-LOSJGSFVSA-N 565.736 4.839 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 225141084 DBYCJIIRQJXLMN-NDEPHWFRSA-N 595.762 4.850 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(CCc1ccccc1)[C@@H](CC)C(=O)NC1CCCCC1)S(C)(=O)=O 225376353 VSXYXMNBPNNPJY-MHZLTWQESA-N 571.784 4.930 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 225448634 UKQQVRBZDRABFG-IBGZPJMESA-N 637.394 4.879 0 40 KJAB O=C(NCCSCc1c(Cl)cccc1Cl)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 225485620 LUDAKXDSNHGQBB-UHFFFAOYSA-N 505.464 4.583 0 40 KJAB C[C@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)n1 225976972 FGRPOJJITDFERG-FQEVSTJZSA-N 512.699 4.630 0 40 KJAB O=C(OCc1ccccc1)N1C[C@@H](O)[C@H](N(CCc2c[nH]c3ccccc23)Cc2ccc(F)cc2F)C1 257235066 GWGPCAAHCPFGIR-VSGBNLITSA-N 505.565 4.873 0 40 KJAB CC(C)=CCC[C@]1(C)Oc2cc(OCC(N)=O)ccc2[C@H]2OC[C@@]3(C[C@@H]21)CN(C(=O)OC(C)(C)C)CCO3 257254449 KDCLTVFICSAOSS-CRKZPIATSA-N 530.662 4.532 0 40 KJAB Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CCCN(Cc3cc(F)ccc3C)C2)ccc1Cl 257318672 VOYXJYFPYZTUFS-MUUNZHRXSA-N 502.074 4.921 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 260794910 OEIQCRFHLRWPEQ-OAQYLSRUSA-N 616.578 4.985 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 260882501 CYDVEXAIPFGHCC-SSEXGKCCSA-N 625.763 4.698 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 260918440 GKONHBMDAWYBDX-MSOLQXFVSA-N 586.538 4.600 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1OC 260938838 RERHQYQECMWSAW-SSEXGKCCSA-N 621.800 4.867 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 260956501 WACTZYJLEJUFGO-GDLZYMKVSA-N 563.764 4.790 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 261046960 ZKGAKTLKZQDOGK-YADHBBJMSA-N 602.153 4.885 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 261079924 RAILWONVUBSHPD-MUUNZHRXSA-N 563.764 4.933 0 40 KJAB O=C(NCc1ccccc1)C(=O)Nn1c(C(=O)Nc2ccccc2Cl)cc2cc(Br)ccc21 408579283 ZFBCAOXUXBCQID-UHFFFAOYSA-N 525.790 4.696 0 40 KJAB COc1cccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)S(=O)(=O)c2ccccc2)c1 408616604 ZPBUVWYYODVHGK-UHFFFAOYSA-N 521.639 4.545 0 40 KJAB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1C 408659063 ORYHYOXPLGEIIX-SIQOOTDXSA-N 505.401 4.835 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccccc1OCC 408738396 KLDWHEGDRFNADX-ZRELAVNMSA-N 517.434 4.504 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)n2[C@@H]1c1ccccc1 408754398 UCUYYIDOOBNFCK-QCHPHUCNSA-N 525.413 4.975 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3O)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409037483 CRWFFDNOQRCOOI-YOURIZNBSA-N 760.388 4.509 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cccc(C(=O)O)c5)o4)c(=O)n32)cc1 409093175 XUIPQKPLFSXCAK-NNAGEYCMSA-N 591.645 4.841 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409104312 CQRGWWRRPLVZAW-SUAMDDGLSA-N 628.589 4.671 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3/C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 409118766 URBXAWZSHUQHAU-LQZWJFLISA-N 600.096 4.699 0 40 KJAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)Nc1cc(C(F)(F)F)ccc1Cl 409125645 AHNVGEAOZSEDSZ-LLVKDONJSA-N 519.701 4.656 0 40 KJAB CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC 409169169 PKDBNMOXZWDNAI-WOJGMQOQSA-N 552.390 4.682 0 40 KJAB COc1ccc(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1 409197894 RJCWYKHMBJMRPP-UHFFFAOYSA-N 553.862 4.949 0 40 KJAB COC(=O)COc1c(I)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 409215226 YZNIQJRBCJQDKX-LZYBPNLTSA-N 559.765 4.746 0 40 KJAB CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 409252259 RLNZSFMHAISILH-UHFFFAOYSA-N 544.471 4.731 0 40 KJAB CCn1c(SCC(=O)Nc2nccs2)nnc1[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(C)C 409356139 FDXHCHRJYBGTDW-MRXNPFEDSA-N 513.476 4.919 0 40 KJAB COc1ccccc1CC(=O)N1CCCC[C@H]2CN(c3ncc(C(=O)O)c(CCc4cccc(Br)c4)n3)C[C@H]21 585266120 LPMIVLLMZHUJPE-BKMJKUGQSA-N 593.522 4.791 0 40 KJAB COc1ccc(CN2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)cc1OCCn1ccnc1C 585272737 WGCOMGIMEHKZOV-HHHXNRCGSA-N 500.039 4.647 0 40 KJAB Cc1cc2cc(OCC(=O)N3CCN(C)CCCN(C(=O)CC(C)C)c4ccccc4C3)ccc2n1C 643555190 VMSAEQXNHHVDLT-UHFFFAOYSA-N 504.675 4.609 0 40 KJAB Cc1cc2ncn(CCC(=O)N3CCC4(CCCCc5ccccc5OCCCNC4=O)CC3)c2cc1C 643557251 RHBSBJFDIVUJML-UHFFFAOYSA-N 516.686 4.964 0 40 KJAB CCCC(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)CCNS(=O)(=O)c2c(C)noc2C)Cc2ccc(Cl)cc21 643569405 UADYKFASOZRIDX-UHFFFAOYSA-N 630.211 4.681 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)Cn1nnc(-c2ccccc2F)n1)c1ccc2c(c1)OCCO2 887924 XSLTZNOVKRQEBM-LJAQVGFWSA-N 588.615 4.613 0 40 KJAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc(Br)c3)N2C(=O)CN1CCc1cccc(F)c1 2115757 GTCOYCHPSNDBGX-IGKIAQTJSA-N 532.413 4.997 0 40 KJAB biogenic O=c1/c(=C/c2ccc(O)c(Br)c2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 2370714 JZEGRGLRCKBFPX-VZIOXZNFSA-N 521.461 4.848 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1 2779867 FJJKWSPEZNJTCE-JLKMOJGBSA-N 563.679 4.810 0 40 KJAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 3256984 WIGUJLWUTBZVNL-UHFFFAOYSA-N 516.333 4.822 0 40 KJAB COc1cc(NC(=S)N[C@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5ccc(-c6ccccc6)cc5)n4)CO[C@H]23)cc(OC)c1 5398730 OARCASNVXCKIFI-QUAHOIDUSA-N 569.687 4.761 0 40 KJAB biogenic,in-vitro O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)N(Cc1ccc(F)cc1)Cc1ccco1)OCO3 6445867 SQVHCNDHZGFANS-MHZLTWQESA-N 542.571 4.882 0 40 KJAB COc1ccc(C(=O)NN2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1 8386903 UZJYCVTYTCFXMT-UHFFFAOYSA-N 611.866 4.686 0 40 KJAB CCCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4cccc(OC)c4OCCC)c(=O)n32)cc1OC 8452469 NTDUKHVUROPVHF-QVOHLBINSA-N 594.730 4.783 0 40 KJAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)Nc1ccc(Br)cc1Br 13026730 AGGJIWJMUYPNML-UHFFFAOYSA-N 507.273 4.579 0 40 KJAB CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 13064632 VFFBMIIEMFGLDL-BDYUSTAISA-N 500.647 4.506 0 40 KJAB CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3ON2c2ccccc2)cc1OCC 18101197 OXSDCKPRHHQRMH-PFBJBMPXSA-N 502.567 4.934 0 40 KJAB COc1ccccc1N1CCN([C@@H](c2cc3ccc(C)c(C)c3[nH]c2=O)c2nnnn2C2CCCCC2)CC1 19826504 QMDNXHQBAHEPBU-NDEPHWFRSA-N 527.673 4.557 0 40 KJAB CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)N(Cc1ccc(OC)cc1)C[C@@H]1CCCO1 19973028 JMZQDKYRMNBVDR-IGKIAQTJSA-N 530.673 4.747 0 40 KJAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 20005415 JCNIJWZWWLXXOW-FQEVSTJZSA-N 509.411 4.539 0 40 KJAB COc1ccc(-c2csc(-c3cc(NC(=O)[C@@H]4CC(=O)N(c5ccc(C)cc5)C4)n(C)n3)n2)cc1OC 35683109 TZNOFLIWDFYROV-GOSISDBHSA-N 517.611 4.528 0 40 KJAB COc1ccc(NC(=O)CSc2nc3c(sc4ncccc43)c(=O)n2Cc2ccc(F)cc2)cc1 45923029 AUJPBQJHVHYAFX-UHFFFAOYSA-N 506.584 4.933 0 40 KJAB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C2=C(N=3)c3ccccc3CC2)o1 58833672 FIOFHCCUVACOGM-ZYSRDMNZSA-N 511.647 4.767 0 40 KJAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 59928519 MXCKTWVVCSPIMN-UHFFFAOYSA-N 548.492 4.687 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccc(Cl)cc2)cc1 60060424 ITWVUOCQNRQYQM-UHFFFAOYSA-N 571.080 4.678 0 40 KJAB CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 71973130 JPFBGPYMGJGHGN-ZEVWSBCOSA-N 502.595 4.654 0 40 KJAB COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3ccccc3Cl)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC 85341180 DWGBHTGAEYUWIJ-YSQWDHOWSA-N 551.979 4.500 0 40 KJAB biogenic,in-vitro CCOC(=O)c1ccc(NC(=O)C(=Cc2ccc(OC)c(OC)c2)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1 97949806 SHQSCJJXLVFJAC-UHFFFAOYSA-N 546.576 4.718 0 40 KJAB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C1=O 97954255 IRHSOAZMWCCHOB-IARZGTGTSA-N 540.597 4.814 0 40 KJAB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(Br)c(Cl)c3)n2C)cc1 98045496 TYGQPEQSDPOBTK-ZDUSSCGKSA-N 522.856 4.761 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2cccc(F)c2)cc1OC 100364873 ZZYVQVPMALHIDA-LJAQVGFWSA-N 545.615 4.811 0 40 KJAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[nH]c2SCC(=O)N2CCN(c3ccccc3)CC2)cc1 101291357 QPPHYUQPHMQZMZ-UHFFFAOYSA-N 532.691 4.659 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)cc2)c(OC)c1 101352359 PCWIEKQAWNNHPH-UHFFFAOYSA-N 595.699 4.890 0 40 KJAB CCN1C(=O)/C(=C\c2nc3ccc(I)cc3c(=O)n2-c2cccc(OC)c2)c2ccccc21 102409259 XPTPBFMOYVFTKT-HKWRFOASSA-N 549.368 4.906 0 40 KJAB COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)CN2N=N[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]32)cc1 103256407 LPNBEHPHBADNRB-RNXOBYDBSA-N 621.879 4.782 0 40 KJAB CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 110257630 DCVNYSCNDXRLFE-UHFFFAOYSA-N 522.856 4.683 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 163748074 SIEVJICSSSESFS-LKWZWFHSSA-N 651.535 4.657 0 40 KJAB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 222744061 WKTJVLDMVVAJEE-IBGZPJMESA-N 608.544 4.678 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223036200 ZMZBTDGKZZBWAQ-SSEXGKCCSA-N 561.748 4.616 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 223111759 RIAPEVOZQVBLBC-XMMPIXPASA-N 548.492 4.742 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 223118597 PNZJGMCTOXRJGD-DEOSSOPVSA-N 546.064 4.536 0 40 KJAB CCOCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(OC)c(OC)c1 223462998 BGNKJUGIIJTILK-LJAQVGFWSA-N 522.617 4.698 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 223555908 ZDODYLUZJBNYPD-JOCHJYFZSA-N 542.101 4.706 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 223576366 DHMLERRGEWJJFV-QFIPXVFZSA-N 542.101 4.706 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN1C(=O)c2cccc3cccc1c23 223755919 DCMLQDCPKXFGCN-MUUNZHRXSA-N 521.617 4.585 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223811888 FVHXFJHYRURDRL-NEKDWFFYSA-N 614.606 4.933 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 223980093 ODZUUTNNXYWENN-SETSBSEESA-N 579.763 4.633 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 224050047 UTOUUNSKAJGUIA-DEOSSOPVSA-N 577.747 4.929 0 40 KJAB COc1ccc(-c2nnc(NC(=O)CN(c3cccc(C)c3C)S(=O)(=O)c3ccccc3)s2)cc1 224068005 DTGDFCFFXRIIGP-UHFFFAOYSA-N 508.625 4.665 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 224090218 FINPRIKZNSXDLR-QHCPKHFHSA-N 539.673 4.519 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 224401207 SYHBRGCSLOMPOD-VWLOTQADSA-N 552.112 4.892 0 40 KJAB COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1Cl 224489875 GKTLGYHVFCRRHD-QHCPKHFHSA-N 586.154 4.776 0 40 KJAB C[C@@H](C(=O)NCc1ccc(CN2CCCCC2)cc1)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 224528736 AHCDZCNGEYIQGL-KRWDZBQOSA-N 532.028 4.816 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224539283 MRLNZZLJHWCMIK-AREMUKBSSA-N 618.152 4.505 0 40 KJAB COC(=O)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2OC)cc1 224825611 USBDJUGEOUMNNB-UIOOFZCWSA-N 514.607 4.853 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 225046299 IAAXZTASJSAHKX-XMMPIXPASA-N 534.122 4.671 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 225166101 CHSHJSQFTZSGIG-OAQYLSRUSA-N 545.721 4.755 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 225188241 MMABESGOWLZUPN-FGZHOGPDSA-N 602.153 4.885 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 225209847 ZIMQOTQUVAAMAC-GOSISDBHSA-N 584.964 4.735 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 225222451 WBGXURNFAIVEET-QFIPXVFZSA-N 542.101 4.624 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 225271072 MJNOEWZAMZSUOW-LJAQVGFWSA-N 549.737 4.626 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 225317238 GKKOIDAUCKOWQF-MHZLTWQESA-N 561.720 4.637 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 225322552 VDCYDXBUMCCLFA-LJAQVGFWSA-N 549.737 4.626 0 40 KJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)cc1NS(C)(=O)=O 225486714 XODSKWMEHRNESF-LOSJGSFVSA-N 537.642 4.569 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 225509706 JRUAETGJLITGSP-PMERELPUSA-N 585.726 4.585 0 40 KJAB Cc1ccc(Nc2nn(CC(=O)Nc3ccc(C)cc3Cl)c(N)c2S(=O)(=O)c2ccccc2)cc1 225528701 GSYPXZLHSXXPID-UHFFFAOYSA-N 510.019 4.951 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 225551436 KPUOGWAFEQKFEQ-SHQCIBLASA-N 529.747 4.880 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225630333 GSMRKSVVRPZLCZ-XMMPIXPASA-N 582.937 4.799 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 225753784 KWBKWKKVMBUTSC-UFHPHHKVSA-N 595.762 4.930 0 40 KJAB Cc1cc(=O)oc2cc(O[C@H]3O[C@@H](COC(=O)c4ccccc4)[C@H](OS(=O)(=O)O)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)ccc12 253505142 QITKEEPRPKDMMO-BIMGGBJUSA-N 730.700 4.701 0 40 KJAB biogenic,in-vitro O=C(O)CN(Cc1ccc(Br)cc1F)C(=O)CCCn1c(C(F)(F)F)nc2ccccc21 257283892 PAIQNPAZDHOBKK-UHFFFAOYSA-N 516.289 4.850 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC)S(=O)(=O)c2ccc(Br)cc2)cc1 260571739 CHEKLRPHEBDVJM-OAQYLSRUSA-N 602.551 4.515 0 40 KJAB 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524.693 4.781 0 40 KJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1 3640198 UODGUHJYIKKKDX-KRWDZBQOSA-N 503.621 4.920 0 40 KJAB COc1cc2sc(NC(=S)NC(=O)c3ccc(I)cc3)nc2cc1Cl 8894040 HICBWRRYHOJAOC-UHFFFAOYSA-N 503.774 4.690 0 40 KJAB O=C(NCCn1ncc2c(=O)n(Cc3cccc(Cl)c3)cnc21)C1(c2ccc(Cl)cc2)CCCC1 12071476 RGOXTPXTTHFKNZ-UHFFFAOYSA-N 510.425 4.576 0 40 KJAB CCOc1ccccc1CCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 13647627 JTIUIYVSKWCSQW-UHFFFAOYSA-N 517.047 4.692 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 13801018 MUUKIXLVDDEOJI-QFXGEWDLSA-N 507.036 4.651 0 40 KJAB O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 20234784 RJXHGSWQQNMMOG-UHFFFAOYSA-N 512.893 4.922 0 40 KJAB CCOc1ccc(NC(=O)c2cc(OC)c(OC)cc2N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22254076 NAQACVSKXHYWAA-UHFFFAOYSA-N 519.019 4.974 0 40 KJAB COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCc2ccccc2)ccc1OC(=O)c1ccco1 26963804 NIMZCHLPMLRSQQ-CLCOLTQESA-N 510.546 4.637 0 40 KJAB 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CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 223402199 NCYXFHHDLHWZOX-MUUNZHRXSA-N 586.154 4.671 0 40 KJAB CCCSc1nnc(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)s1 223617508 WWGPLKVTQZUEJR-UHFFFAOYSA-N 527.491 4.637 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 224056303 UOKMFFDKVBBQAU-QHCPKHFHSA-N 553.700 4.970 0 40 KJAB Cc1ccc(OCCNC(=O)[C@H](C)N(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1Cl 224175047 LSPIUMUIOYUNCN-ZDUSSCGKSA-N 513.365 4.670 0 40 KJAB CN(C)S(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1)c1ccccc1F 224195274 ZFZQEGUZDGIDJD-UHFFFAOYSA-N 527.662 4.745 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 224250981 HHRHCRIQOPNPKC-MUUNZHRXSA-N 569.699 4.672 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 224261353 TXKRPWUDXCLWNT-SANMLTNESA-N 606.572 4.934 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 224371798 DSRVGFROBKPXRL-GDLZYMKVSA-N 581.710 4.896 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224613897 ADDVNTVZGXZUEA-NDEPHWFRSA-N 611.736 4.680 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 224750265 KBIMNAGUOVBLRR-RUZDIDTESA-N 565.736 4.841 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 224757144 MLMSRVVFRUTJAK-QHCPKHFHSA-N 539.673 4.581 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccccc1Cl 224772034 VSEQLNFXJOMBLR-NDEPHWFRSA-N 568.139 4.805 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)[C@@H](Cc1ccccc1)C(=O)NC(C)C 224776151 ZSQOPNWXQLLMIT-MHZLTWQESA-N 600.579 4.688 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 224818010 MITFRWKGFLNZEJ-FQEVSTJZSA-N 546.064 4.618 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 224855096 JZLPLXPIPNWZKX-OAQYLSRUSA-N 560.091 4.926 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(Cl)cc1 224994507 ULDJLHMRMNITHQ-QFIPXVFZSA-N 602.153 4.886 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 225059656 CCIKRQJNBPGWBM-XZOQPEGZSA-N 539.673 4.661 0 40 KJAB COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(NC(=O)C(C)(C)C)c(OC)c1 225097773 CISSBNZCHKDTDS-ZEQRLZLVSA-N 507.660 4.700 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225171475 HZZVHDQFZSESAC-FQEVSTJZSA-N 552.112 4.892 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 225243412 KLMYGFQQIKKVIG-GOSISDBHSA-N 572.953 4.511 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)ccc1OC 225302399 RWBCBBHIBNICKI-SVBPBHIXSA-N 531.613 4.782 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 225340296 HWXBCHXPRUWADL-RTBURBONSA-N 542.529 4.726 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 225385002 CSDWCDVSRNDRGY-LOSJGSFVSA-N 565.736 4.839 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 225609688 ACFKCPOSAVCOQS-GOSISDBHSA-N 542.529 4.825 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225652920 MKLSWVMEPWMJGU-NRFANRHFSA-N 602.551 4.595 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225670237 AMLVBUWKRQBIDN-QFIPXVFZSA-N 572.127 4.794 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2F)Cc2ccccc2)cc1Cl 226067957 DBRSBADYUUWSRQ-UHFFFAOYSA-N 505.011 4.727 0 40 KJAB COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)CN2N=N[C@@H]4C(=O)N(c5cccc(F)c5)C(=O)[C@H]42)[C@H]3c2ccc(OC)cc2)cc1 255961427 RGNHPDLKVCRLRF-CSKGGTCTSA-N 622.657 4.959 0 40 KJAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)C1 260710416 HDQMCOBQFWVSCI-IBGZPJMESA-N 547.077 4.875 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(C)cc(Br)cc3CC)C2)cc1 260715017 LKLMSCKEPBCXCG-SFHVURJKSA-N 509.466 4.758 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260769039 GGXOSQZNUFAWFK-GOSISDBHSA-N 570.539 4.634 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C)c1ccc2c(c1)OCCO2 260839489 AJZZGBSWMHILQE-HHHXNRCGSA-N 658.615 4.541 0 40 KJAB CC(C)c1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 260904902 FFMXRWNMVXHSDH-LJQANCHMSA-N 522.111 4.561 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 260911745 QMZXAXHJQOFAFO-VXKWHMMOSA-N 542.101 4.867 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 261048439 ZQQAEKUNRNZXMS-RPBOFIJWSA-N 595.762 4.848 0 40 KJAB Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 408584249 NLNMQQRVMJGIQD-NRFANRHFSA-N 507.837 4.939 0 40 KJAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NC(c1ccccc1)c1ccccc1 408629434 BCMHEIZOBDLTMU-UHFFFAOYSA-N 532.593 4.698 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)N1CCN(Cc2ccccc2)CC1 408636699 TVCKVIFOGBHLAY-UHFFFAOYSA-N 534.465 4.517 0 40 KJAB CCCC[C@@H](C(=O)OCC(=O)Nc1ccc(NC(C)=O)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408687821 PKVAGHPDKXNBLY-MTFBUDRBSA-N 579.653 4.578 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCC)c(=O)n2[C@@H]1c1ccc(C)cc1 408827891 VGINQAFEULQEDX-ZRELAVNMSA-N 667.363 4.873 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)c(Br)cc1O 408867066 IOSUOEUVNVJZOB-SOFYXZRVSA-N 531.306 4.857 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 408935474 DZRHZUBZWAWBPG-DKOMQPSQSA-N 599.448 4.682 0 40 KJAB COc1ccccc1NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 409060930 AJZQVQACRKJANL-UHFFFAOYSA-N 503.418 4.596 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409134580 WHWCAWOJSNPIQR-DEDYPNTBSA-N 504.992 4.747 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(I)c1OCC 409243348 VTZYANXKLBGKSC-VCHYOVAHSA-N 570.380 4.903 0 40 KJAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C1=O 409329682 GYMDPWWPTIIYRV-HZHRSRAPSA-N 515.591 4.996 0 40 KJAB CCOC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc1OCC 409365551 YJEKGLVHZKEBFG-UCQKPKSFSA-N 526.611 4.826 0 40 KJAB COc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(Br)c(Cl)c2)c1 409377671 KELUSGJXYMOCFA-FGZHOGPDSA-N 606.809 4.594 0 40 KJAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 409398822 DCZFHZKRJPRJOS-OCKHKDLRSA-N 554.939 4.519 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2)cc1 409408865 DRXGPGSHFDJWFX-UHFFFAOYSA-N 527.668 4.613 0 40 KJAB O=C(CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1)NCCc1ccccc1 409412627 VLVMYTFGUODEAC-UHFFFAOYSA-N 509.429 4.853 0 40 KJAB COc1cc(CN(C)C[C@H](O)Cn2c(C(F)(F)F)nc3ccccc32)ccc1OCCN1CCC(C)CC1 585273150 PNPPWIUXHKRJST-QFIPXVFZSA-N 534.623 4.667 0 40 KJAB Cc1nc(N2CCC(C)CC2)ncc1C(=O)N1CCC2(CCCCc3ccccc3OC[C@@H](C)NC2=O)CC1 643562867 SXXPYIKTURXYHC-HSZRJFAPSA-N 533.717 4.554 0 40 KJAB O=C1CN(Cc2ccccc2)Cc2c(cccc2C(=O)NCCc2ccc(Cl)cc2)OCCCCCN1 643572779 HWUNNYQTBILSKI-UHFFFAOYSA-N 520.073 4.994 0 40 KJAB COc1cc(CNC(=O)c2ccc3c(c2)CNCCCCCCCN3C(=O)c2cccnc2)cc(OC)c1 643583526 GCIIFCAOYLLHSO-UHFFFAOYSA-N 516.642 4.729 0 40 KJAB COCCN1CCCCN(C(=O)Cc2c[nH]c3ccccc23)[C@@H](CC(C)C)COc2ccccc2C1=O 643584361 OBXUZZRTLNFOFH-DEOSSOPVSA-N 505.659 4.915 0 40 KJAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1cc(Br)c(OC)c(OC)c1 684432 KGFUDUMVPFKLNR-NRFANRHFSA-N 517.405 4.874 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(=O)NC2CCCCC2)c1N)c1ccc(Cl)cc1 906620 PNIXNVJJJDDQEC-FQEVSTJZSA-N 532.110 4.925 0 40 KJAB CCC[C@@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(=O)NC2CCCCC2)c1N)c1ccccc1F 906625 VFVLBITVOUOMQG-NRFANRHFSA-N 529.682 4.801 0 40 KJAB COc1ccc(/C=C/C(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2cccc(Br)c2)cc1 1100648 LAZMFZORZPNDKA-RBNVVWFDSA-N 520.383 4.854 0 40 KJAB CCCc1cc(=O)n2c(C(=O)Nc3cccc(C)c3C)c(C(=O)Nc3ccc(C(=O)OC)cc3)sc2n1 1906926 WNSIYKITHNYFAK-UHFFFAOYSA-N 518.595 4.617 0 40 KJAB Cc1ccc(NC(=S)N(Cc2cn(C)nc2C)[C@@H]2CC(=O)N(c3c(Cl)cccc3Cl)C2=O)cc1 2754077 WCCVYSAIGNMZDB-HXUWFJFHSA-N 516.454 4.875 0 40 KJAB Cc1cccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(c4nc5ccccc5s4)CC3)c(=O)[nH]c12 6443988 MQFVXGAALQPICL-AREMUKBSSA-N 540.697 4.850 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2Cc2cccs2)cc1 9934111 NTOBDOZOQQKCHU-OAQYLSRUSA-N 511.987 4.944 0 40 KJAB CCOc1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 10294714 JSWVQASMWCNVEO-UHFFFAOYSA-N 504.992 4.590 0 40 KJAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 10324940 MQTPGLSDEYPAMP-UHFFFAOYSA-N 514.047 4.944 0 40 KJAB COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2cc(C)on2)c2ccccc2F)cc1 12492592 HOYULFNKNVZMKG-RUZDIDTESA-N 510.566 4.539 0 40 KJAB O=C(NC1CCCCC1)[C@@H](c1ccc(O)cc1)N(Cc1ccccc1)C(=O)c1ccc2c(c1)OCCO2 12635382 GBFHAEILVHKSOK-MUUNZHRXSA-N 500.595 4.996 0 40 KJAB CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 13494871 IQLZLMRDKZLMQQ-HSZRJFAPSA-N 502.619 4.850 0 40 KJAB Cn1nc(C(=O)OCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)c2ccccc2c1=O 14357329 KIHZYOSEECOCAX-MHZLTWQESA-N 516.557 4.621 0 40 KJAB CSCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)c1ccc2c(c1)OCCO2 16757080 LLYDBUBTEPXDTA-QFIPXVFZSA-N 501.608 4.915 0 40 KJAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4cccc(C)c4C)CC3)cc2c1 20080020 YTYLZWNGNHHULC-NDEPHWFRSA-N 527.673 4.557 0 40 KJAB COc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc(Nc4ccccc4C)c4ccccc4n3)CC2)cc1 22052574 YPLBTLBWGCEZEL-NRFANRHFSA-N 517.655 4.758 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(Cl)cc2Cl)cc1 22271237 GOXREIRRZYVVNK-QHCPKHFHSA-N 507.439 4.598 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2cc(Cl)ccc2OC)cc1OC 22278488 TUNIPAQEANLBRC-UHFFFAOYSA-N 519.019 4.817 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(OC)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 22279047 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COc1cccc(OCCNC(=O)c2ccc(CN(c3ccc(Cl)c(Cl)c3)S(C)(=O)=O)cc2)c1 224899421 AMDYCGHDAKISCX-UHFFFAOYSA-N 523.438 4.777 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccccc1 225017453 KKGWISWUSBEANM-NDEPHWFRSA-N 612.590 4.914 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 225158417 NUKKYZIKQOPRHR-XMMPIXPASA-N 522.111 4.528 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 225160372 UQWSMMJQEJJYNZ-DEOSSOPVSA-N 536.138 4.837 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 225168652 VWGPXRVQFOGMLG-AREMUKBSSA-N 548.149 4.979 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 225376133 OYAVAICIKDMPHX-AREMUKBSSA-N 557.757 4.540 0 40 KJAB Cc1cccc(C)c1N(Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1)S(C)(=O)=O 225647712 URQKPDYRHREVMM-UHFFFAOYSA-N 542.661 4.847 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 225669135 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CCOC(=O)C1CCN(C(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)CC1 661280 XZVHLPLCFMXBCH-UHFFFAOYSA-N 536.650 4.506 0 40 KJAB COC(=O)c1c(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@@H](C(=O)c4cc(OC)ccc4OC)[C@@H]3C2=O)sc(C)c1C 1278916 FZXOPJIOGWBRJN-BKKFENPESA-N 572.639 4.567 0 40 KJAB O=C(Nc1ccc2c(c1)OCO2)[C@H]([C@@H]1CC=CCC1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 1418919 UJLJRUWKTHFKEX-PBBNMVCDSA-N 541.583 4.692 0 40 KJAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)O)c(Cl)cc12 2161526 OQFGZEQHZYRULC-VWLOTQADSA-N 560.990 4.723 0 40 KJAB biogenic O=c1/c(=C/c2ccc(Br)o2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 2195435 VVLMBHWSSCMQOA-JPFXZVHCSA-N 507.384 4.813 0 40 KJAB Cc1ccc(-n2c(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)nc3ccccc3c2=O)c(C)c1 3224058 DGMSRLSBUYDEAY-UHFFFAOYSA-N 525.634 4.531 0 40 KJAB CCCCNS(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N1c3ccccc3C[C@H]1C)n2CCCC 6134409 YLBYLUABYCZLCY-LJQANCHMSA-N 514.717 4.985 0 40 KJAB 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S=C(NCC1(c2ccc(Cl)cc2)CCOCC1)Nc1nc(N2CCOCC2)cc(N2CCc3ccccc3C2)n1 225995586 UBFUCYRBEYGKJO-UHFFFAOYSA-N 579.170 4.564 0 40 KJAB COc1cccc(CN(Cc2ccccc2)C(=O)COc2c(OC)cc(Br)cc2C(=O)O)c1OC 257224344 FBKNRVRYGPSNHQ-UHFFFAOYSA-N 544.398 4.781 0 40 KJAB CCN1C[C@H](c2cc(NCCc3ccccc3)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)CC1=O 257273159 NFMWHZZGQHZTFQ-LJQANCHMSA-N 503.006 4.625 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)c1 260782354 KUKLWCQHIJWGCI-HSZRJFAPSA-N 581.710 4.814 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)c1 260785247 LTGKEXRRJGZXDC-RUZDIDTESA-N 577.747 4.983 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](CC)C(=O)NC)S(=O)(=O)c1ccc(C)cc1 260863268 YOMXBVYUJPNSPU-HHHXNRCGSA-N 535.710 4.615 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 260921380 UCSLBGZANIORMP-ZEQRLZLVSA-N 551.709 4.531 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 260928036 HJTVNEPIIFKRPB-HLADLETHSA-N 595.762 4.930 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 260956332 VKNCWCXIOVPZEQ-SSEXGKCCSA-N 563.764 4.790 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 260964402 HRECVXKNFQJXHY-AREMUKBSSA-N 630.605 4.779 0 40 KJAB COc1cccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 260996449 OQWXUNNFNMHQIB-HHHXNRCGSA-N 586.154 4.524 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 261010045 GPZOSZLHACMIQU-OAQYLSRUSA-N 646.604 4.994 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 261011209 UIGVFEIDHIFJAG-YADHBBJMSA-N 557.663 4.801 0 40 KJAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 261039081 YSZBBBMRULGDEM-GDLZYMKVSA-N 582.166 4.968 0 40 KJAB Cc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 408577617 PZFSZSLZESTNGN-KRWDZBQOSA-N 519.399 4.912 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(OC)c(Cl)cc2OC)Cc2ccccc2)cc1C 408620079 JWVGYRBCVVPHKN-UHFFFAOYSA-N 533.046 4.894 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NCc1cccnc1)S(=O)(=O)c1ccc(C)cc1 408630654 WMUUAOMFNUXZFH-UHFFFAOYSA-N 579.078 4.816 0 40 KJAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C(=O)OCC(=O)c5ccccc5)cc4)c3)C(=O)[C@@H]2C1 408677033 DRSDNNKBNULYCE-IZZNHLLZSA-N 522.557 4.824 0 40 KJAB Cc1c(Br)ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H](C)C=CC[C@H]4C3=O)cc2)c1C 408683895 JBLVWIKFMRJAID-HLNIAZEUSA-N 525.399 4.563 0 40 KJAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 408703887 VCLPHSQXRREUMA-UHFFFAOYSA-N 504.052 4.783 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cccs2)n2c(s/c(=C\c3ccc(OCC)c(Cl)c3)c2=O)=N1 408829213 OSGZMBQELDGZOS-PZHBDVNGSA-N 517.072 4.692 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC(=O)O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 409016849 KDMDIJNKRMHYRQ-KDNBERQASA-N 677.573 4.949 0 40 KJAB COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC 409154189 JXVIGFDIOUPPBY-MYYYXRDXSA-N 561.616 4.705 0 40 KJAB COc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)ccc1OCC(=O)Nc1ccc(Br)cc1 409266932 ZCXNFRSBTJBGLX-UHFFFAOYSA-N 554.510 4.969 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc(Br)c1O 409275035 HKCQPHLBGOEETF-VGOFMYFVSA-N 531.306 4.646 0 40 KJAB COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1I 409374424 PEQIIRZVSSFCPQ-ZDLGFXPLSA-N 536.391 4.900 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 409382219 QBHINBNEIPYUML-UHFFFAOYSA-N 507.381 4.821 0 40 KJAB CCCc1nc(N2CCC(Cc3ccccc3)CC2)ncc1C(=O)N(CCc1ccccc1)CC(=O)O 585268056 VDGJOAWXZRBFCF-UHFFFAOYSA-N 500.643 4.658 0 40 KJAB COc1cc(CN2CCC[C@](O)(COc3cc(C)ccc3Cl)CC2)ccc1OCCn1ccnc1 585272222 RAOUSFHFYJUOGZ-HHHXNRCGSA-N 500.039 4.729 0 40 KJAB Cc1nn(C)cc1CCC(=O)N1CCC2(CCCCc3ccccc3OCCN(Cc3ccccn3)C2)CC1 643568842 MGVBBHJATIJBMB-UHFFFAOYSA-N 529.729 4.973 0 40 KJAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)[C@@H]2COc3ccccc3O2)o1 931106 WVXRGQDTWYUQDU-NSOVKSMOSA-N 532.593 4.676 0 40 KJAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[nH]2)CC1 1324451 DQGQOFCIEBWJKN-UHFFFAOYSA-N 531.926 4.647 0 40 KJAB Cc1cc(C)nc(SCC(=O)N(Cc2cccnc2)[C@@H](C(=O)Nc2ccc3c(c2)OCO3)[C@H]2CC=CCC2)n1 1407835 DCRPCCWIZZCFDN-WXVAWEFUSA-N 545.665 4.702 0 40 KJAB CCc1cc(=O)oc2cc(OC(=O)[C@@H](Cc3c[nH]c4ccccc34)NS(=O)(=O)c3ccc(C)cc3)ccc12 2095836 CFOIFOCZOQJFHW-AREMUKBSSA-N 530.602 4.640 0 40 KJAB biogenic COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCN(Cc5ccccc5)CC4)CC(=O)N32)cc1OC 2156531 PNKMNRNCPUVNSN-UVMMSNCQSA-N 564.686 4.535 0 40 KJAB biogenic COc1ccc(NC(=O)CSc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(C)cc2)c(OC)c1 2721828 JCWXTMASWOFWPI-UHFFFAOYSA-N 514.581 4.824 0 40 KJAB Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc3ncccc3c2)cc1 6245123 XCPPXOZVOJCGQQ-RUZDIDTESA-N 542.665 4.518 0 40 KJAB Cc1cccc(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2-c2cccc(Cl)c2)c1 9369047 AFRJCRJAJRWGRR-UHFFFAOYSA-N 506.031 4.819 0 40 KJAB O=C(CCc1nnc2n(Cc3ccc(Cl)cc3)c(=O)c3ccccc3n12)N1CC=C(c2ccccc2)CC1 9831473 JRWAEQYHHJAHEL-UHFFFAOYSA-N 524.024 4.994 0 40 KJAB CCS(=O)(=O)c1ncc(N(Cc2cccc(F)c2)Cc2ccco2)c(C(=O)Nc2ccc(F)cc2)n1 11914693 XIQWTIFWXHPSAK-UHFFFAOYSA-N 512.538 4.601 0 40 KJAB Cc1ccc([C@@H](C(=O)NCc2ccco2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2F)cc1 12487899 NXWSHOWIBYRXEH-VWLOTQADSA-N 505.571 4.609 0 40 KJAB CCOc1ccccc1[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 13029949 NHJBCHLHYVYWCM-GDLZYMKVSA-N 511.626 4.659 0 40 KJAB Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NCCCN(C)C)cc1)S(=O)(=O)c1ccccc1 13669539 DQOKJGAYNWGRPV-UHFFFAOYSA-N 500.064 4.725 0 40 KJAB COc1ccc(N(CC(=O)NCCCc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 13670776 VUIBKCIZGARPKZ-UHFFFAOYSA-N 501.048 4.910 0 40 KJAB CCOc1c(Br)cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)cc1OC 13915637 FGWULZYWCARFPH-GOSISDBHSA-N 510.841 4.941 0 40 KJAB 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CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 225673217 MVKJWWRLIHNLAS-LJQANCHMSA-N 542.529 4.729 0 40 KJAB CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl 225805515 IPTYVKQNDKAUPN-IBGZPJMESA-N 508.109 4.698 0 40 KJAB Cc1ccc(CNC(=S)Nc2nc(N3CCCCC3)cc(N3CCN(c4ccccc4)CC3)n2)cc1 225943220 INVTWGDCASOTMS-UHFFFAOYSA-N 501.704 4.589 0 40 KJAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 226024030 ZSHBNCILZYHINW-UHFFFAOYSA-N 588.510 4.521 0 40 KJAB CCc1ccccc1NC(=O)CN1CCC[C@@]2(C1)CN(S(=O)(=O)c1ccc(C)cc1)[C@@H](Cc1ccccc1)CO2 257232019 GJAWTGJITNASPC-GMCHKSTQSA-N 561.748 4.663 0 40 KJAB O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 260728380 ATHLUPYOAKIHRQ-IBGZPJMESA-N 594.542 4.784 0 40 KJAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCCC2)cc1 260747607 AMQKOWRUNUHGIA-LJQANCHMSA-N 554.540 4.789 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 260747832 OZUNTJCPZQPDHY-XMMPIXPASA-N 611.761 4.548 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 260858506 AKJAFUNWSAWXGT-GOSISDBHSA-N 542.529 4.511 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1 260914964 RFMOTZLWGRZGQT-MRXNPFEDSA-N 578.946 4.611 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 260929821 HJVSNYDQOZRRMQ-YADHBBJMSA-N 572.127 4.876 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 260942389 IYYSCRXSPOIENN-DQEYMECFSA-N 565.736 4.839 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 260949736 FHKYSULSZILVJO-WJOKGBTCSA-N 591.774 4.777 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 260987180 PGANYEIHXJEZGF-RTWAWAEBSA-N 555.663 4.892 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 261010382 UFOGQMLRRQJJSE-HOTGVXAUSA-N 593.371 4.854 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 261028054 WUBDFTLZMMGYPP-VXKWHMMOSA-N 521.683 4.503 0 40 KJAB CC(C)OC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1 408651751 DTDXWVHRUTZYFY-OAQYLSRUSA-N 516.550 4.579 0 40 KJAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)cc2)CC1=O 408671347 UGOFZDZMXKWSEC-HAFLYIAKSA-N 502.611 4.696 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2)cc1Cl 408678910 KATCNBAJTRRPPA-UHFFFAOYSA-N 554.115 4.550 0 40 KJAB Cc1nnc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccc(Oc5ccc(C)c(C)c5)cc4)cc3C2=O)s1 408680657 DMLCGQONZMNQCG-UHFFFAOYSA-N 542.573 4.852 0 40 KJAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCCCCN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 408689848 ZKKVRLZKTWCBAL-FBVYBBNNSA-N 594.664 4.798 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(SC)cc1 408775858 VPCMHBRAISIHKQ-JZVSFUAJSA-N 624.376 4.751 0 40 KJAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(Br)cc1OCC(=O)O 408872166 AGLFLUUXCMFUKQ-IDUWFGFVSA-N 512.765 4.811 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(Br)c(OC(C)=O)c(OCC)c3)c2=O)=N1 408873502 UXXNAFRNVZUQJL-SUAMDDGLSA-N 673.582 4.682 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(CC)c4ccccc34)c(=O)n2[C@H]1c1cccs1 408914392 NWHWADBSECBJQR-VEOZPNHKSA-N 539.682 4.972 0 40 KJAB COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1Cl 409022725 QJSFZHUEXQPGED-XXMKCSCWSA-N 534.012 4.675 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Cl)c(OC)c(OCC)c4)c(=O)n32)cc1 409032215 LQTYKNHRBVCDJC-XSZPGNIMSA-N 571.095 4.646 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cc(Br)c(O)c(OC)c3)c2=O)=N1 409038680 VKPHVYDOISKLFZ-YOKWNPFVSA-N 621.937 4.717 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3c(OC(C)C)ccc4ccccc34)c2=O)=N1 409039556 RLOKFWYONPJXAA-CSJROMOCSA-N 512.631 4.739 0 40 KJAB CCOc1cc(/C=C2/C(=O)N(C)C(=S)N2C)cc(I)c1OCc1ccc(C)cc1 409043954 GALMNTSYCXKGCD-WQRHYEAKSA-N 522.408 4.607 0 40 KJAB CCOc1c(Br)cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N2CC(=O)OC)cc1OC 409074686 WTMPONNVPDAURP-YVLHZVERSA-N 539.835 4.657 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)Nc4ccccc4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OC 409097552 ODQONQNVFKUSSA-NTNOMAAHSA-N 633.774 4.706 0 40 KJAB CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)OCC)c4)o3)c(=O)n21 409160481 YSTBJKJEZTWILV-RYOBIWAXSA-N 586.666 4.634 0 40 KJAB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(O)c(I)c3)C2=O)ccc1Cl 409162303 ZTOJENCGLDVTAG-GIDUJCDVSA-N 698.660 4.716 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C1=O)Nc1ccc2c(c1)OCO2 409168932 NVJGDXCJPFAQLC-KSEXSDGBSA-N 506.511 4.808 0 40 KJAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)C1=O 409246331 BDURSUUPNZIABK-OEAKJJBVSA-N 503.530 4.507 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)cc(I)c1OC 409273876 MINDDYQVWDKYKT-CAOOACKPSA-N 572.808 4.945 0 40 KJAB COc1cc(OC)cc(-c2noc(CSc3nc4ccccc4c(=O)n3Cc3ccc4c(c3)OCO4)n2)c1 575606393 GVRYLXGSQCDLOY-UHFFFAOYSA-N 530.562 4.533 0 40 KJAB CS(=O)(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)[C@@H](N)Cc2ccc(Cl)c(Cl)c2)Cc2ccccc21 643588085 VEBMGEZISAJQHO-MHZLTWQESA-N 589.589 4.564 0 40 KJAB COc1ccc2cc(C)c3nnc(SCC(=O)Nc4ccc(S(=O)(=O)NC5CCCCC5)cc4)n3c2c1 877266 ITHZIPHPLZNDCJ-UHFFFAOYSA-N 539.683 4.541 0 40 KJAB COc1ccc(CN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@H]3c3cccc(Br)c3)C2=O)cc1 2123909 LLHMEWGQSNEEAE-RPLLCQBOSA-N 530.422 4.824 0 40 KJAB biogenic O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O)NCc1ccc2c(c1)OCO2 2968642 WMMDACFHQLROGF-NRFANRHFSA-N 533.009 4.667 0 40 KJAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2cc(Cl)ccc2Cl)c1C 6144679 ODODEPSXWUDVTG-CQSZACIVSA-N 553.420 4.954 0 40 KJAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 12621044 XUNBSVFCMXEIHD-OBGWFSINSA-N 512.672 4.635 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21 13024603 QHSBKYSAIOBSMH-NDEPHWFRSA-N 529.641 4.523 0 40 KJAB COc1cc(OC)cc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2cccc(C)c2C)c1 13029216 IFFJECHOWRSHFV-NDEPHWFRSA-N 529.641 4.755 0 40 KJAB CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 19856155 HZNLIAFFEGUOBV-UHFFFAOYSA-N 520.438 4.967 0 40 KJAB COc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc(Nc4cccc(C)c4)c4ccccc4n3)CC2)cc1 22052564 LVGOKULLYFQTPH-NRFANRHFSA-N 517.655 4.758 0 40 KJAB CSc1ccc([C@H](C)NC(=O)COc2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1 22233848 VBZPDYITUXYFQT-SFHVURJKSA-N 502.633 4.770 0 40 KJAB CC(C)Oc1ccc(CNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 22428534 XVKRCCRBFRQQHV-UHFFFAOYSA-N 517.445 4.748 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)c2ccc(Cl)cc2C)cc1 22431798 CCIXKIKRDIXEGJ-UHFFFAOYSA-N 523.058 4.963 0 40 KJAB CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)NCCc1ccc(OC)cc1 70705810 QVEMDDRWOULVAQ-NDRDCLFJSA-N 564.686 4.536 0 40 KJAB biogenic COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@@H]1c1ccccc1Cl 97947651 UWYGGWWMRUCIEG-XSZPGNIMSA-N 569.466 4.992 0 40 KJAB Cc1ccc([C@@H](C(=O)NCc2ccc(F)cc2)N(C(=O)CNC(=O)c2ccco2)c2ccc(F)c(Cl)c2)o1 100418368 CDOFYUMHYJPRCO-VWLOTQADSA-N 541.938 4.933 0 40 KJAB CC1(C)O[C@H]2[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@@H](n3cnc4c(=O)[nH]cnc43)[C@H]2O1 100821295 KCWRKFVKIDINBP-WJLKJTLYSA-N 550.615 4.546 0 40 KJAB CCCSc1ncc(Br)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(C)cc2)n1 101429795 OEGXXUMZEYSJTK-NRFANRHFSA-N 527.488 4.707 0 40 KJAB Cc1ccc(C(=O)CSc2nc3cc(C(=O)NC[C@H]4CCCO4)ccc3c(=O)n2Cc2ccccc2)c(C)c1 102177202 ITKNQLJWYJKZAC-XMMPIXPASA-N 541.673 4.945 0 40 KJAB O=C(NCc1nc2c(s1)CCCCC2)/C(=C/c1ccc(SC(=S)N2CCOCC2)o1)NC(=O)c1ccccc1 113561460 AMDYAHARVPUXCA-XLNRJJMWSA-N 582.773 4.802 0 40 KJAB 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222753374 HNFWWNUQQBLTSQ-UHFFFAOYSA-N 604.150 4.530 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 223173681 HHGHMPQPYLNWAD-JOCHJYFZSA-N 600.137 4.640 0 40 KJAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 223472499 BXZDAQLWMZOMGU-HHHXNRCGSA-N 556.128 4.748 0 40 KJAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 223535199 WRQRFXBXDBVARB-AREMUKBSSA-N 609.789 4.892 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 223566342 XPSGLRGAVMYXOS-HSZRJFAPSA-N 570.539 4.684 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223607282 DJWWSSBBDJOYFE-SANMLTNESA-N 576.546 4.844 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223636740 JRQVUYXKSUQORP-NEKDWFFYSA-N 570.155 4.824 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223737006 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CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 225544413 ISYYRMAZCXAPBR-AOYPEHQESA-N 529.747 4.880 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 225550161 URHXPOFXROHHSJ-MHZLTWQESA-N 618.569 4.911 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 225753460 DJHKYXBWDOSWEF-QDPGVEIFSA-N 611.761 4.630 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)cc1OC 226063031 IBIAQVKYGLKOME-UHFFFAOYSA-N 578.691 4.673 0 40 KJAB CC1(C)O[C@@H]2CC[C@]3(C)OCC4(CCN(S(=O)(=O)c5ccc(Br)cc5)CC4)C[C@H]3O[C@@]2(C)CC[C@H]1O 257328910 XHONVSGOHYGDAG-PXWZRECTSA-N 586.589 4.655 0 40 KJAB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C[C@H]2CCCO2)c1 260852704 YQGIFWFPJZBADA-SACAOSOOSA-N 503.672 4.680 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 260866444 JHUMPJTXZIGPST-MUUNZHRXSA-N 586.154 4.588 0 40 KJAB 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CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1[C@H](CCSC)NC(=O)c1ccc(OC)cc1 408596946 WVKSGDOLAKJEJJ-FQEVSTJZSA-N 531.679 4.709 0 40 KJAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(I)cc4C)cc3)C(=O)[C@H]2C1 408686355 SGIXLOQYQUZXRH-MOPGFXCFSA-N 500.336 4.698 0 40 KJAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(SC)cc4)c(=O)n32)c1 408769300 MNGKNVGAOHCYTE-GTWFGUSFSA-N 527.671 4.604 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)ccc3OC)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 408926819 RICOLDVUHRDETE-UHFFFAOYSA-N 609.726 4.955 0 40 KJAB CCOC(=O)COc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1ccc3c(c1)OCO3)C(C(=O)OCC)=C(c1ccccc1)N=2 408928323 ZVTPMINTXBXNAD-IYUGCORASA-N 662.720 4.759 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccccc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 408956833 ZSNWLDFUYQEBTC-MFCBUNOESA-N 561.059 4.649 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(SC)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 408994418 HLMMGKBVILAJGY-VEOZPNHKSA-N 542.682 4.666 0 40 KJAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)c(Br)c2)C1=O 409011762 HNCIIENRWQTLNE-MDBUFAAASA-N 534.384 4.714 0 40 KJAB CCOC(=O)C1CCN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)CC1 409026990 NGCRWVXJLORPPA-UHFFFAOYSA-N 546.995 4.664 0 40 KJAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4ccccc4)c(I)c3)C2=O)c1 409114071 IMPGLUFGQJGCTK-HYARGMPZSA-N 567.383 4.710 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2cn(CCCOc3ccccc3Cl)c3ccccc23)C1=O)N1CCOCC1 409131251 NVUGBDOFBGVCNF-JLPGSUDCSA-N 540.041 4.659 0 40 KJAB CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 409163406 RAELHEJWWHPUOD-GIJQJNRQSA-N 553.818 4.719 0 40 KJAB COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)cc1OC 409206071 UZHWHZGYDSSTBF-UHFFFAOYSA-N 572.989 4.915 0 40 KJAB COc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 409393585 QXCQGUKXKAOQGK-QRVIBDJDSA-N 520.010 4.753 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4C)c(Cl)c3)C2=O)o1 409399936 MCVKUGSUNJNRTC-JAIQZWGSSA-N 558.374 4.792 0 40 KJAB Cc1c(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cccc1-c1ccc(OC(F)(F)F)cc1 643551646 CPBZPAODZDKICA-UHFFFAOYSA-N 533.572 4.895 0 40 KJAB CC(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)CCn2ccnc2C(C)C)Cc2cc(F)c(F)cc21 643554745 YSQNQDPAMBLJKB-UHFFFAOYSA-N 537.655 4.962 0 40 KJAB O=C(c1cc(F)cc(F)c1)N1CCC2(CCCCc3ccccc3OCCN(C(=O)c3cnccn3)C2)CC1 643574163 GIIMGYLGVDRUSG-UHFFFAOYSA-N 534.607 4.925 0 40 KJAB COc1ccc(C(=O)N2CCC3(CCCCc4ccccc4OCCN(C(=O)c4cnccn4)C3)CC2)cc1 643574452 XXRICYMRQOPFQR-UHFFFAOYSA-N 528.653 4.655 0 40 KJAB CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)N[C@H](C)COc2ccc(F)cc2Oc2cccc(Cl)c2)NC(=O)c2ccccc2OCCN(C)C1=O 643578942 KIDMKEMKGXAKHR-KKVCJECGSA-N 683.177 4.725 0 40 KJAB CCc1cc(C(=O)N2CCC3(CC2)C[C@@H](O)[C@H](c2ccccc2)N(Cc2cccc(Cl)c2)C3=O)on1 2037873410 IMFPXRSKGDSWMJ-NOZRDPDXSA-N 508.018 4.648 0 40 KJAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccccc3C)c2C(=O)Nc2ccc(C(=O)OC)cc2)C1 644040 BTNJHCCPDMGXJJ-UHFFFAOYSA-N 521.595 4.862 0 40 KJAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(C(=O)Cn1nnc(-c2cccs2)n1)c1ccc(F)cc1 887447 DQQXZEQRKYBKOI-HSZRJFAPSA-N 524.647 4.826 0 40 KJAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CCN(c4ccccc4OC)CC3)n2)cc1 890658 QVAKMSOBTVHGRH-UHFFFAOYSA-N 518.561 4.621 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1 905922 SBSZFFCBWMBLFJ-MHZLTWQESA-N 517.655 4.720 0 40 KJAB COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2)c(OC)c1 1372618 URMUYVHIMIPNIQ-HKBQPEDESA-N 549.631 4.848 0 40 KJAB CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 1775975 OICNDWHYEQHTJF-WNSKOXEYSA-N 504.004 4.542 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccccc1 1821399 YKPIECSQOQOSJQ-GBIJUZDQSA-N 564.642 4.790 0 40 KJAB Cc1oc2cc(OC(=O)[C@@H](CCC(=O)O)NC(=O)OC(C)(C)C)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 2115957 CLHDEGOQMDZUDB-HXUWFJFHSA-N 553.564 4.593 0 40 KJAB biogenic Cc1ccccc1-c1nc2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@@H](C)O4)c(=O)n2n1 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CCOC(=O)COc1c(I)cc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1OC(C)C)C(C(=O)OCC)=C(C)N=2 408935649 GHSKODRGNRVMHY-XQAWFANUSA-N 769.452 4.895 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCc3cccc(Cl)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409031616 HOVUPIGQRZQVCK-PQNXSAFSSA-N 707.201 4.990 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc5ccccc45)c(=O)n32)cc1 409043518 MUCSPRBLMYYJCV-ABBNRAPFSA-N 512.631 4.739 0 40 KJAB CCOc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Br)c1OCc1ccc(C)cc1 409069668 WUJKXSAWGOGVNG-UHFFFAOYSA-N 675.627 4.860 0 40 KJAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)c4ccccc4)C3=O)cn(CC(=O)N(CC)CC)c12 409129811 KVHAHNIUTITRHW-IWIPYMOSSA-N 503.624 4.991 0 40 KJAB COCCNC(=O)Cn1cc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c2cc(Br)ccc21 409147534 MQFRZJHMBMYJHK-YVNNLAQVSA-N 590.883 4.739 0 40 KJAB COc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)S(=O)(=O)c1ccccc1 409148256 XXKOPJRLDGGGLM-UHFFFAOYSA-N 543.645 4.502 0 40 KJAB COC(=O)c1ccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3ccc(Cl)cc3Cl)C(C)C)n2)cc1 409166532 DZHGYDSNZASQRR-LJQANCHMSA-N 536.441 4.756 0 40 KJAB COc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409257793 QGOVPUKXPMMUQP-UHFFFAOYSA-N 503.668 4.823 0 40 KJAB Cc1ccc(C(=O)N2CCC3(CCCCc4ccccc4OC[C@H](C)NC3=O)CC2)cc1-n1cccn1 643563143 WFQVNKLSMQNYTJ-QHCPKHFHSA-N 500.643 4.713 0 40 KJAB COCC(=O)N1CCCCCCCCN(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)Cc2ccccc21 2037885095 XXXRVVOJGTZURU-UHFFFAOYSA-N 539.094 4.882 0 40 KJAB O=C(COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(Br)cc1 645207 DXCXPHRERGZYKS-UHFFFAOYSA-N 559.276 4.816 0 40 KJAB Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)c2ccc(-c3ccccc3)[nH]2)o1 885827 HTJOIFSCGBXGDU-IADCTJSHSA-N 541.604 4.991 0 40 KJAB COc1cc2cc(C)c(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)nc2cc1OC 928355 NIJUQYWJCDJPNC-UHFFFAOYSA-N 529.684 4.856 0 40 KJAB CC1(C)Cc2c(sc3nc(SCC(=O)Nc4ccccn4)n(CCc4ccccc4)c(=O)c23)CO1 1306934 WFJRGUZPAUMUKA-UHFFFAOYSA-N 506.653 4.678 0 40 KJAB CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1325141 HYDIIOWCTRFBBR-HSZRJFAPSA-N 520.609 4.724 0 40 KJAB CCc1c(C)sc(N[C@](NC(=O)c2ccc(Cl)cc2Cl)(C(=O)OC)C(F)(F)F)c1C(=O)OC 2357992 WRWOHHIKBDDLAE-LJQANCHMSA-N 527.348 4.986 0 40 KJAB C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(NC(=O)c3cccc(F)c3)nc1[C@H]2CC(=O)NC1CCCCC1 4222485 PJZXQFNXJNEYNQ-RUMONJKUSA-N 543.705 4.789 0 40 KJAB biogenic,in-vitro COc1ccc(NC(=O)[C@H]([C@@H]2CC=CCC2)N(Cc2ccc(F)cc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 8712763 VUERZEGJNAPGOI-MNNSJKJDSA-N 555.606 4.756 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc(OC)cc2)c2cc(OC)c(OC)c(OC)c2)cc1 8713141 JHVOYZVWYUCZCJ-JGCGQSQUSA-N 625.682 4.883 0 40 KJAB COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(C)ccc4O)c3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 8845725 IGWDSIYDSSNUAQ-NDEPHWFRSA-N 529.593 4.913 0 40 KJAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)N[C@@H](C)c2ccccc2)C(=O)[C@]31C 8918260 QXCOZRQGZHCEPU-PBYQXAPXSA-N 508.578 4.908 0 40 KJAB biogenic COc1ccc(CNc2nc(NCc3ccc(OC)c(OC)c3)n(C(=O)CCc3ccccc3)n2)cc1OC 9948674 XFTLNMULMXQIRM-UHFFFAOYSA-N 531.613 4.810 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)c(OC)c1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 13024147 QCTFPEXSHKCBCX-HHHXNRCGSA-N 515.614 4.528 0 40 KJAB O=C(CSc1ccccc1C(=O)Nc1ccccc1N1CCOCC1)NC12CC3CC(CC(C3)C1)C2 13095568 MAOGZMUNYTWKKL-UHFFFAOYSA-N 505.684 4.953 0 40 KJAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)C2)cc1 13595897 XFRMTZLSIVUTLH-LJQANCHMSA-N 513.015 4.619 0 40 KJAB COc1ccc(N(CC(=O)N[C@H](C)c2ccc(SC)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 20014938 SFCVXHISHGKNQP-LJQANCHMSA-N 514.669 4.807 0 40 KJAB CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 20036413 DCINUGMFQIURNK-GOSISDBHSA-N 503.020 4.820 0 40 KJAB CCOc1cccc(CNC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 20459226 LTFLKWSVBUYDCP-UHFFFAOYSA-N 503.020 4.567 0 40 KJAB COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cc1 44849577 GSRSNEFTOOGLNK-DEOSSOPVSA-N 511.059 4.933 0 40 KJAB CN(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 44902897 IKHDFTLVLNCMIG-UHFFFAOYSA-N 507.837 4.956 0 40 KJAB COc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4ccc(C)cc4Cl)cc3)CC2)cc1 57316231 MQOCTJAYVSSUOE-UHFFFAOYSA-N 523.058 4.746 0 40 KJAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)c2cccc(Br)c2)cc1Cl 59834157 PRUUOJVECQEVDQ-KSFYIVLOSA-N 551.890 4.878 0 40 KJAB CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@@]21C 91302264 LJVAJPDWBABPEJ-XZVSULPPSA-N 812.018 4.929 0 40 KJAB investigational Cn1c(CN2CCCCC2)nc2cc(NC(=O)CN3C(=O)c4ccccc4Sc4ncccc43)ccc21 96223044 VJQKMLHMSPVINZ-UHFFFAOYSA-N 512.639 4.704 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 100306770 MNAIYSFZUMGFHU-ASZNLBCTSA-N 570.667 4.968 0 40 KJAB COc1ccc([C@H](C(=O)NCCC(C)C)N(Cc2ccc(C)cc2)C(=O)Cn2nnc3ccccc32)cc1OC 100366429 QVQCSDRMZKTNRY-SSEXGKCCSA-N 543.668 4.689 0 40 KJAB CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)co2)s1 101036474 QDTYOHXLPJBGMV-CMDGGOBGSA-N 575.665 4.803 0 40 KJAB COC(=O)c1ccc([C@@H]2C(c3nc4ccccc4s3)=C(c3ccccc3)Nc3c2c(=O)n(C)c(=O)n3C)cc1 102921623 MNWDEDHCFQBDSR-JOCHJYFZSA-N 536.613 4.606 0 40 KJAB COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1OC 103139576 XYOZEZZJHCMPHJ-NGOKVRLYSA-N 584.601 4.512 0 40 KJAB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(I)cc5)c(=O)n42)c2ccccc2CC3)c1 103791828 XUXOBYMNEWOFEV-KMBIYUNPSA-N 576.459 4.932 0 40 KJAB O=C(CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 150663853 SLWMKSMUFPMDKA-YHNFGGNYSA-N 707.894 4.667 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccc(Br)cc2)cc1 215965652 MCOXWMXUAZJSDZ-UHFFFAOYSA-N 615.531 4.787 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 222388114 YUYRGAOHVVHPCB-HXUWFJFHSA-N 562.519 4.969 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 222452530 VRKFVOFEJZSAJM-IBGZPJMESA-N 548.492 4.660 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC)S(=O)(=O)c1ccccc1 222690012 GBLRRXCQQPNIBZ-IBGZPJMESA-N 578.518 4.751 0 40 KJAB C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1)c1ccccc1 222858188 QFFJTFVEJPGUGA-NLGDKJDOSA-N 597.737 4.812 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 222873554 SFCLZCOSFSJYHZ-MHZLTWQESA-N 572.127 4.876 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 222958671 OQDBXCRLJFKRQI-OAQYLSRUSA-N 587.739 4.695 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 222958985 IAGVNDRVIQEUFI-NRFANRHFSA-N 557.713 4.605 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 223108107 FGAHRUZMNXZCDL-HKBQPEDESA-N 599.753 4.975 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 223259162 ZUHMSSYIRDTPEI-VWLOTQADSA-N 578.518 4.751 0 40 KJAB COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H](C(=O)NCC(C)C)c2ccccc2)cc1 223521587 BPAMSNDEYBLJGS-YTTGMZPUSA-N 591.774 4.955 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223530506 ASDDIATYFPWLLW-AREMUKBSSA-N 644.588 4.500 0 40 KJAB COc1ccc(CN(C(=O)COc2ccccc2)[C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1 223574117 LFVSKLPUHDQJKE-WJOKGBTCSA-N 538.600 4.889 0 40 KJAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(SC)c(C(=O)N4CCC(C)CC4)c3)n2)cc1 223610461 BCDLQOBEAUORBC-UHFFFAOYSA-N 544.699 4.550 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O 223697378 FOMFFWMBQRIVPX-MHZLTWQESA-N 529.747 4.827 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 223731728 UCFQAHPWFXYKRU-LJQANCHMSA-N 592.943 4.851 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O)[C@@H](C)C(=O)NC1CCCC1 223785616 QLBJUEVKWCBRRF-NRFANRHFSA-N 534.122 4.671 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 223895235 FFXYYYSYWRBZRS-CYBMUJFWSA-N 588.863 4.985 0 40 KJAB Cc1ccc(OCCNC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)cc1Cl 224137698 LPVFHPNMWNMRQI-UHFFFAOYSA-N 500.231 4.570 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 224264822 QBCGRDQTCJSNRM-RUZDIDTESA-N 578.573 4.698 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224525471 JXKHLRRKMOWMBG-ZEVJAHDQSA-N 570.517 4.801 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc2ccccc2c1Br 225000455 NXQNYMQFTAKORK-SFHVURJKSA-N 513.432 4.933 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 225019089 FZPJPNKMHCXLAV-SANMLTNESA-N 604.542 4.519 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 225108259 MUZJTQTYNVGNNA-SANMLTNESA-N 551.709 4.533 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 225120641 HPLCCDSYUXPYSM-MHZLTWQESA-N 539.673 4.663 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 225248979 UWXRADBVBJADEA-SFHVURJKSA-N 617.404 4.620 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 225363411 HUOJOGRSCIYSQB-VWLOTQADSA-N 548.149 4.713 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 225369880 BWZBULKCZXOMIS-MUUNZHRXSA-N 611.761 4.550 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1Br 225405573 DJOLJOOSMWQGGO-CVEARBPZSA-N 511.844 4.822 0 40 KJAB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)ccc1NS(C)(=O)=O 225433005 RYYMLTIINLPTNS-IZZNHLLZSA-N 533.679 4.738 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O 225502214 JTIZIOPRHUCRNY-LJAQVGFWSA-N 567.727 4.711 0 40 KJAB 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Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc(Cc4ccncc4)cc3)Oc3cc(C)ccc32)cc1 260848717 PCJMHFGLPJGCNP-MUUNZHRXSA-N 513.619 4.884 0 40 KJAB Cc1cccc(CN(C(=O)CCCN(c2ccccc2F)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 260876877 MZKWIBGNQNXBTI-GDLZYMKVSA-N 567.727 4.845 0 40 KJAB CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccc(F)cc2)cc1 260890225 CWIIXRMNKOTVOK-BJKOFHAPSA-N 583.726 4.794 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 260896355 DJHKYXBWDOSWEF-FIPFOOKPSA-N 611.761 4.630 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 260940530 IQLYDAKXTHLBKB-IADCTJSHSA-N 581.735 4.621 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 261008856 GKCSPAGGYBTBHU-FIPFOOKPSA-N 570.155 4.969 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 261027620 IWYYDUBXAHVHMZ-UNMCSNQZSA-N 580.589 4.944 0 40 KJAB 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COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1 224938393 KXRQRDWZPKYBQM-KRWDZBQOSA-N 503.020 4.814 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 224953979 SMGMKMGTIGDPDM-LJAQVGFWSA-N 597.753 4.935 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 225297180 VLQXPYNGRSWFLS-GDLZYMKVSA-N 549.737 4.626 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 225297699 WWLKVIHXZSPRKH-HKBQPEDESA-N 591.774 4.859 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 225475526 QJKJJPNEOQRLMP-FUFSCUOVSA-N 565.736 4.754 0 40 KJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1NS(C)(=O)=O 225491133 XKKHNAZSVCDLFI-RPBOFIJWSA-N 564.645 4.597 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 225572635 DNGHUMDXBXISOH-RBJSKKJNSA-N 593.746 4.684 0 40 KJAB Cc1cc(C)nc(Nc2ccccc2C(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)n1 225916303 KIMFBVRKWZBURZ-MHZLTWQESA-N 507.594 4.604 0 40 KJAB O=C(c1ccccc1)c1ccc(OC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]3[C@H]3C=Cc4ccccc4N23)cc1 247747655 QTOWHENKLSQGHZ-ZSEZPNIJSA-N 584.584 4.642 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)N3CCN(c4ccccc4)CC3)c(=O)cc1[C@H](NC(C)=O)CC2 252550171 SDGKULSVOISKDF-PQHLKRTFSA-N 660.837 4.745 0 40 KJAB Cc1cccc(-c2nc3sc(=Cc4cn(-c5ccccc5)nc4-c4ccc5c(c4)C[C@@H](C)O5)c(=O)n3n2)c1 254466372 CZWXAVFBQLBSIZ-LJQANCHMSA-N 517.614 4.850 0 40 KJAB Cc1cccc(Cc2nc(N3CCc4ccccc4C3)ncc2C(=O)NS(=O)(=O)c2ccccc2Cl)c1 257289873 QANPODZWABAYJM-UHFFFAOYSA-N 533.053 4.711 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 260765691 FMWQTLZENPPZRE-XMMPIXPASA-N 563.720 4.675 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)c1 260952258 UBIPWKCOALYBIA-HSZRJFAPSA-N 599.725 4.536 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 260964473 ZXSOGBFKXGVMGP-SSEXGKCCSA-N 563.764 4.790 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 260999986 ROZXOGUZVGYBOZ-OFVILXPXSA-N 536.138 4.917 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 261008368 SZLOFGXHYQYZTN-WNCULLNHSA-N 545.746 4.662 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 408608386 LJPZCKBUXUTZAP-UHFFFAOYSA-N 528.602 4.934 0 40 KJAB CCOc1cc(OCC)c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1Br 408984889 NFNZMBKVFKIBCC-QARYAGPDSA-N 615.546 4.755 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(C)=O)c(Br)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 408997102 RCQUAXBIJMIDIN-NKYAOSOXSA-N 633.520 4.632 0 40 KJAB COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1Cl 409017338 ZBEURLYROICFJS-QCHPHUCNSA-N 529.083 4.571 0 40 KJAB CCOc1c(I)cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1OC 409054595 TUYCJIBQKFWKQD-PDGQHHTCSA-N 543.354 4.953 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409108610 XDVXXESGPFZGCW-BQRJEURGSA-N 584.742 4.849 0 40 KJAB O=C(COc1ccc(N2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1)Nc1ccc(Br)cc1Cl 409125833 ADXLDTRKTLFGBH-KRWDZBQOSA-N 600.853 4.518 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1OC 409223170 FIXANNRMPHLAKO-LSCVHKIXSA-N 601.834 4.867 0 40 KJAB CCOc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)ccc1OCC(=O)Nc1ccc(Br)cc1 409257550 SSZCVDCTLDAGNQ-HZPDHXFCSA-N 507.450 4.650 0 40 KJAB COC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc1Br 409276486 RTRCTLOHUXTUAY-CIAFOILYSA-N 555.406 4.829 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2ccc(F)c(Br)c2)C1=O)Nc1ccc(I)cc1 409342020 CTEFNSXVUFKXFB-OVCLIPMQSA-N 561.170 4.868 0 40 KJAB Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)c2)cc1C 409377927 KQSHKRFFPXKNCV-IWIPYMOSSA-N 515.591 4.996 0 40 KJAB CC(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)c2cccc(-c3nc[nH]n3)c2)Cc2cc(F)c(F)cc21 643554052 JSHFNILAJXAKFW-UHFFFAOYSA-N 544.606 4.651 0 40 KJAB CC(C)C[C@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)c2ccc3c(c2)CCCC3)CC(=O)N1 643556307 HXFZSNDAOWZODG-VWLOTQADSA-N 540.104 4.795 0 40 KJAB Cn1c(CN2CCC[C@]3(C[C@@H](O)[C@H](c4ccccc4)N(Cc4cccc(F)c4)C3=O)C2)nc2ccccc21 2037873352 CFTCKZBESOAZHB-QKMMQOFESA-N 512.629 4.829 0 40 KJAB COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4cc(Br)ccc4OC)cc3n2)cc1Cl 678839 VJVWJEKZTMMHPT-UHFFFAOYSA-N 546.834 4.980 0 40 KJAB O=C(NCc1ccc(F)cc1)[C@H](c1cccs1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(F)cc1 888111 PFVZCORDAAJJHU-SANMLTNESA-N 562.577 4.910 0 40 KJAB CC(C)OC(=O)c1ccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(CCc4ccccc4)C3=O)c2)cc1 1785735 YGKNJJXYYRKREO-UHFFFAOYSA-N 531.996 4.978 0 40 KJAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 3339248 AMOYPWBLXMBZQE-AREMUKBSSA-N 522.623 4.715 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2C)cc1 6601354 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CCOC(=O)c1ccc(-c2ccc(/C=c3\sc4nc(-c5ccccc5Br)nn4c3=O)o2)cc1 97953009 NBTDOEFZITZBNV-MOSHPQCFSA-N 522.380 4.565 0 40 KJAB Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3cccs3)n2C)cc1 97963215 VMCBVRRMGDFBDS-LJQANCHMSA-N 536.708 4.647 0 40 KJAB Cc1cc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)ccc1OC(C)C 97999470 CHTIUBNHJMKNDU-VEILYXNESA-N 561.667 4.598 0 40 KJAB COc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2cccc(Cl)c2)cc1 98049013 ZFMVPVQNTVJZEY-UHFFFAOYSA-N 527.002 4.594 0 40 KJAB COc1ccc(CNC(=O)[C@H](c2ccc(OC)cc2)N(CCc2ccccc2)C(=O)[C@H]2COc3ccccc3O2)cc1 100330525 WLSMNOQNIYBHGX-ZWXJPIIXSA-N 566.654 4.973 0 40 KJAB CCCCOc1ccc([C@]2(C(=O)N[C@@H]3C(=O)N4[C@@H](C(=O)O)C(C)(C)S[C@H]34)CCC[C@@H]2Cc2ccccc2)cc1 100758373 IANGZIANUPJCHX-WRYDTNEDSA-N 550.721 4.778 0 40 KJAB biogenic O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 102743216 HIWDNABESQCEPP-VJGNERBWSA-N 544.560 4.645 0 40 KJAB 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CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 222965820 AVOOJZIGBIADDV-HXUWFJFHSA-N 546.064 4.536 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 223072919 KYCZGQVYMCMOIV-LEWJYISDSA-N 522.111 4.527 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 223095855 LUXUONJLCJCXCT-JGCGQSQUSA-N 599.753 4.975 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 223215865 QNZARCGAJVIRNU-RUZDIDTESA-N 620.541 4.654 0 40 KJAB COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](Cc2ccccc2)C(=O)NCc2ccncc2)cc1 223240168 MKGRLVJAIGABEW-UMSFTDKQSA-N 640.806 4.764 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 223242035 HZJGWAGPSUNDLG-HSZRJFAPSA-N 539.673 4.663 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223465059 YTERSQQCZIZMML-NRFANRHFSA-N 552.137 4.537 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 223677381 CZIJVYYEBIIWEP-JIPXPUAJSA-N 665.569 4.751 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 224025052 WVBHXOQFSMNJRF-RUZDIDTESA-N 552.137 4.619 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 224137137 HQKBZBPSQDLMOJ-SSEXGKCCSA-N 577.747 4.898 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 224179400 XMWUGERIUQMYJB-VWLOTQADSA-N 549.737 4.942 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 224423780 PICWRYYIHRRGRR-XMMPIXPASA-N 570.539 4.634 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 224437634 JBZNZNMXKWCDFZ-XMMPIXPASA-N 612.576 4.787 0 40 KJAB CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 224501619 MGPRXLBZFUTIGD-DEOSSOPVSA-N 583.726 4.652 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224537420 VBRITCBBWFMOLY-MHZLTWQESA-N 599.725 4.618 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224832475 JPCHHDRLOPSVMJ-QGZVFWFLSA-N 558.503 4.765 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 224942739 NGOKGWWUJFVGEY-MRXNPFEDSA-N 564.482 4.761 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1cc(OC)cc(OC)c1 225307442 NZUUCTQTTQCHEQ-GDLZYMKVSA-N 518.654 4.947 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN1C(=O)c2ccccc2C1=O 225308225 DMONLLFWGSWJMT-LJAQVGFWSA-N 539.676 4.928 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 225325901 SLYIVXDMNSRQPG-QHCPKHFHSA-N 571.571 4.557 0 40 KJAB COc1cc2c(cc1OC)-n1cccc1[C@@H](c1ccc(NC(=O)[C@H]3COc4ccccc4O3)cc1)CC2=O 225382153 QGASKNGWRXTRNW-ACSYHNTCSA-N 510.546 4.991 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 225473530 IGYCRLPVISORHS-SFHVURJKSA-N 623.367 4.570 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 225486493 PAVGGYOMQTYPEY-QGZVFWFLSA-N 596.906 4.600 0 40 KJAB Cc1[nH]c(C)c([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1I 225522370 LZQFSBPITXBUCC-YADHBBJMSA-N 545.450 4.632 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 225703620 WITWCCFXQREVTD-QFIPXVFZSA-N 644.588 4.605 0 40 KJAB Cc1cc(C)nc(Nc2ccc(C(=O)N3C[C@H](C(=O)NCCc4ccccc4)Oc4ccccc43)cc2)n1 225912933 AIAJFGZSALIACN-HHHXNRCGSA-N 507.594 4.604 0 40 KJAB O=C(C[C@]1(COc2ccc(Cl)cc2)CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1)N1CCOCC1 257257001 KNRHMIZXGYNQMO-RUZDIDTESA-N 524.967 4.909 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 260720704 HEQZCJMOBCJEOO-XMMPIXPASA-N 535.710 4.695 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)c1 260818276 VFIXFSQEYUQIRC-LJQANCHMSA-N 554.540 4.934 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3cccc4ccccc34)Oc3ccc(C)cc32)cc1 260917513 DSJJAYZIUKORGB-MUUNZHRXSA-N 516.619 4.608 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)c2ccccc2C)cc1 260931769 LFUZVBKVYLLYMA-XMMPIXPASA-N 553.700 4.827 0 40 KJAB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408650025 ZALPRUWJUPUTEZ-BJZITVGISA-N 517.807 4.764 0 40 KJAB O=C(NCCSCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 408696087 ZWEXHROZPFYLCM-UHFFFAOYSA-N 501.501 4.585 0 40 KJAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(Cl)cc(Cl)c3O)c2=O)=N[C@@H]1c1ccc(Br)cc1 408731134 JDDKDQMESVTJEA-IISPMBILSA-N 568.276 4.682 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408734749 JCMYRYLPTAVPIG-RISWYLRJSA-N 645.572 4.766 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)cc1OCC 408811168 LGLYQEJVJSNTIJ-UHFFFAOYSA-N 550.451 4.870 0 40 KJAB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n21 408948951 RTPFVXWCYQUSPV-HUHAETNCSA-N 612.329 4.970 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc(Cl)c4)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409031683 KBQLYKAYMONHHR-KJDHVJLISA-N 677.175 4.981 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccccc3Cl)C(C)C)n2CC)c1 409354897 ALOLMNIFKATETN-QFIPXVFZSA-N 544.077 4.986 0 40 KJAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409399683 KRQACBQVSGRRGL-JAIQZWGSSA-N 679.851 4.833 0 40 KJAB COc1cc([C@@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4c3c2cn4CCC(C)C)cc(OC)c1OC 524729448 UMIDTKBQOASOFM-VWLOTQADSA-N 503.599 4.913 0 40 KJAB biogenic CCc1ccc(CN2CCO[C@@](COc3cc(C)c(Cl)c(C)c3)(CC(=O)N3CCC(NC(C)=O)CC3)C2)cc1 585285043 NQOVTZXQUHDXLR-HKBQPEDESA-N 556.147 4.686 0 40 KJAB CC(C)N1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)COc3ccc4c(c3)CCCC4)CCO2)C1=O 643556529 LKJTYILXLGDNPL-JGCGQSQUSA-N 534.697 4.584 0 40 KJAB CC(C)CC(=O)N1CCCN(CC(C)C)CCCN(C(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)Cc2cc(F)ccc21 643572899 NYIBOXYLJBQEOG-FTJBHMTQSA-N 517.686 4.642 0 40 KJAB O=C(O)CN(CC1CCCCC1)C(=O)CCc1ccc2c(c1)CN(Cc1ccccc1)CC(=O)NCCCCCO2 643577178 JNLWHIIXJFNNGM-UHFFFAOYSA-N 563.739 4.794 0 40 KJAB COc1ccc(CC(=O)N2Cc3ccccc3N(C(C)=O)CC[C@H]3CCC[C@@H](C2)N3Cc2nccs2)cc1 643578492 XAEGNWWJNLFDKR-FTJBHMTQSA-N 532.710 4.903 0 40 KJAB CCCOc1ccc(CN2CCC3(CCCCCOC[C@@H](C)NC(=O)[C@H](CC(C)C)NC3=O)CC2)cc1 643581725 VBYUYQCTNPWNFO-SQHAQQRYSA-N 515.739 4.684 0 40 KJAB CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)C2(c3cccc(F)c3)CCCC2)CCCCOC[C@@H](O)[C@H]1O 643586329 BQUJJGAWIXCFFD-NAAWPRQVSA-N 630.773 4.710 0 40 KJAB Cc1ccc2nsnc2c1S(=O)(=O)N(Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O 925028 WYRGFXSHXILWLO-UHFFFAOYSA-N 508.600 4.680 0 40 KJAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(Br)c3)N2C(=O)CN1CCc1cccc(F)c1 2115756 GTCOYCHPSNDBGX-RPLLCQBOSA-N 532.413 4.997 0 40 KJAB biogenic O=C(O)[C@@H]1[C@H](C(=O)NCc2ccccc2)C2(Br)c3ccccc3C1(Br)c1ccccc12 3059143 GCGLGKMZCPDQRT-LCOIQBMYSA-N 541.239 4.924 0 40 KJAB CCOC(=O)c1c(NC(=O)COC(=O)COc2ccc3c(C)cc(=O)oc3c2)sc(-c2ccccc2)c1C 3430861 YJDHJDGUCOCWKF-UHFFFAOYSA-N 535.574 4.876 0 40 KJAB O=C(COc1ccccc1)NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 4122421 LQWXJIIKQCUJNP-UHFFFAOYSA-N 536.526 4.601 0 40 KJAB COc1ccc([C@H](C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccccc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1OC 8695785 MRXLKOSKTRFYTN-JGCGQSQUSA-N 606.679 4.708 0 40 KJAB COC(=O)c1c(NC(=O)CN2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc(OC)cc2)sc2c1CCCC2 9318297 RHERRZJDVNWUSM-QLADTWODSA-N 512.672 4.729 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3ccc(Cl)cc3)[C@@H](C(=O)NCCC(C)C)c3cccs3)n2)o1 12480096 RXHMZLCKRKHWPM-HSZRJFAPSA-N 527.050 4.893 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c4c(c(=O)oc3c2C)CCC4)c2ccccc2)cc1 13574815 FSBYMYNQEARXDX-VWLOTQADSA-N 503.576 4.524 0 40 KJAB COc1ccc(NC(=O)[C@H](CCSC)N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 13857860 YXCQPGUOSZPZLJ-KDCGEYSRSA-N 512.631 4.648 0 40 KJAB CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(OC)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC 18165181 YDNHMQNYNWAOBK-PFBJBMPXSA-N 502.567 4.934 0 40 KJAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC(c2ccccc2)c2ccccc2)cc1C 20009150 JUGWSHMFQUZUOA-MHZLTWQESA-N 514.647 4.799 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@@H](C)c2ccc(SC)cc2)cc1C 20014516 SRWOIBUDIHYIAZ-NRFANRHFSA-N 512.697 4.836 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C)c2ccc(C)cc2)cc1Br 20239891 YSNDCCIPYPMACU-UHFFFAOYSA-N 517.445 4.586 0 40 KJAB COc1cc(OC)cc(-c2noc(CSc3nc4cc5c(cc4c(=O)n3CCC(C)C)OCO5)n2)c1 33279806 OYEDVHIDOOSIBT-UHFFFAOYSA-N 510.572 4.531 0 40 KJAB CN(C)S(=O)(=O)N(CC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1F 38756952 FFBHHYVWBVYEKL-UHFFFAOYSA-N 511.619 4.606 0 40 KJAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)Nc4cccc(C)c4C)c3)cc2)n1 60028590 UVHLBUDBPHZJKK-UHFFFAOYSA-N 565.677 4.564 0 40 KJAB O=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 60028627 YEZVDJKBRPNGGD-UHFFFAOYSA-N 584.536 4.602 0 40 KJAB COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)C[C@H]4c2cc3ccccc3n(C)c2=O)cc1 85875257 HXPKETQLECSJAJ-IBGZPJMESA-N 509.514 4.770 0 40 KJAB biogenic COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc12 96114421 FFYXULWMBMUDSM-IBGZPJMESA-N 506.507 4.592 0 40 KJAB biogenic COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)ccc2N2CCOCC2)cc1 97982911 GFKJRTSRUVTLBI-UHFFFAOYSA-N 640.715 4.525 0 40 KJAB COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C(N)=O)CC[C@@H](C)C5)cc3n2)cc1 98042908 MHTCKZJBIVIQBI-GFCCVEGCSA-N 529.544 4.961 0 40 KJAB O=C(NC(=S)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cc(I)ccc1Cl 100358630 FPAFTCUQALDZRL-UHFFFAOYSA-N 561.788 4.872 0 40 KJAB CCOc1cccc(N(C(=O)CCC(=O)Nc2cc(C)on2)[C@@H](C(=O)NC(C)(C)C)c2cccc(OC)c2OC)c1 100416567 SRJXLXJWQZSLRG-HHHXNRCGSA-N 566.655 4.807 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(F)F)c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 100935933 UHQVMNKRYVNHFX-XPCGLTFESA-N 542.604 4.532 0 40 KJAB COc1ccc(OC)c(-n2c(SCC(=O)Nc3ccc(C(=O)O)cc3)nnc2-c2cc(-c3cccs3)n[nH]2)c1 101547985 DPYSCUYXVGMWEI-UHFFFAOYSA-N 562.633 4.832 0 40 KJAB O=C(NN1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]2C1=O)c1cccc(Br)c1 102686302 RXVFDTUMGMCGSZ-KIHHCIJBSA-N 501.380 4.833 0 40 KJAB CCOc1ccc(S(=O)(=O)Nc2ccc(N(CC)CC)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1 102972540 VCIFMPJZDXRCER-UHFFFAOYSA-N 533.672 4.542 0 40 KJAB Cc1ccc(N2C(=O)C[C@@H](C(=O)O[C@@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)[C@@H]2c2cccs2)cc1 103121153 WZVYESLTWQNGNM-HRRBBWQUSA-N 558.660 4.519 0 40 KJAB COc1ccc(N2C(=O)[C@H]3C4C=C(C(=O)Oc5ccc(Cl)cc5Cl)C([C@H]3C2=O)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]42)cc1 150419564 VYTVGGOZMFJTFW-QXZXZUEOSA-N 647.467 4.714 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 222647454 WXNXXQIWCQVIMK-IBGZPJMESA-N 608.544 4.678 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 222732027 ROXQVMKKMYHQKM-SANMLTNESA-N 576.546 4.926 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 222765222 ORTHTIMXRMFDMH-HHHXNRCGSA-N 618.569 4.767 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 222875390 YJICTVWJSUTSDE-MUUNZHRXSA-N 602.153 4.885 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 223036443 SHYYPPCXWDPEGT-OAQYLSRUSA-N 522.111 4.528 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223263714 QUJICRPDULGGGQ-XMMPIXPASA-N 608.544 4.759 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 223347643 YIXAAOLQYXFGIR-VWLOTQADSA-N 578.518 4.751 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223463993 IZWASXOOLBWDLK-JOCHJYFZSA-N 542.529 4.790 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 223589582 QDLUJSYOSKUNNI-MUUNZHRXSA-N 569.699 4.753 0 40 KJAB 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612.704 4.813 0 40 KJAB CCOC(=O)COc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC 408985407 KOLKDIGXAXVSEK-RJQPNXBESA-N 633.122 4.540 0 40 KJAB COc1ccc(-c2csc(NC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(I)cc3)n2)cc1 408991189 PLWMVZWIRVQIES-JOCHJYFZSA-N 619.506 4.952 0 40 KJAB COc1ccc(OC)c(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 409003457 GXMUIYOAHVSPKY-UHFFFAOYSA-N 509.411 4.840 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Cl)ccc4OCC)c(=O)n32)cc1 409036615 LVQXWSXOCODMKI-XXMKCSCWSA-N 541.069 4.638 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3OCC)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409040819 YSTOAJKDLJFXJN-WCDDXEHASA-N 738.451 4.673 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccccc3OCC)c2=O)=N1 409047809 NERLEIYYJQGNAM-XSZPGNIMSA-N 585.520 4.748 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)c(=O)n2[C@@H]1c1ccccc1OC 409095370 AYBLOTXQAQLAMP-QTTRZTASSA-N 606.100 4.724 0 40 KJAB CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1Br 409235472 QGOLLIYNQSTHCX-VCHYOVAHSA-N 553.818 4.719 0 40 KJAB COc1cc(C(=S)N2CCCCC2)cc(I)c1OCC(=O)Nc1cccc(C)c1 409252973 AEQQVSIIEKAMFL-UHFFFAOYSA-N 524.424 4.787 0 40 KJAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2)c1 409381016 CUOFSCOSNSJRIE-UHFFFAOYSA-N 528.074 4.794 0 40 KJAB COc1cc2nc(-c3cc(F)ccc3O)nc(N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C(C)(C)O)c2cc1OC 504367927 QUTNZBPKXWUQFD-UYAOXDASSA-N 542.608 4.577 0 40 KJAB Cc1ccn(CCCOc2ccc(CN3CCC(N=c4nc[nH]c5sc(C(=O)N6CCCC6)c(C)c45)CC3)cc2)n1 585295090 ZQBXMKSKYUWMME-UHFFFAOYSA-N 573.767 4.708 0 40 KJAB Cc1cccc2c1N(C(=O)COc1ccccc1)CCCN(C(C)C)CCN(C(=O)c1ccncc1)C2 643566408 DIEOGGYJQZTNQS-UHFFFAOYSA-N 500.643 4.559 0 40 KJAB O=C(c1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1)N1CCN(c2ccc(Cl)cc2)CC1 679974 DEGPUDUPIHARGI-UHFFFAOYSA-N 523.464 4.918 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(C(=O)c1cnccn1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 883444 XGNJVLOGLNBHMY-MHZLTWQESA-N 581.764 4.940 0 40 KJAB Cc1ccc(S(=O)(=O)c2c(NS(=O)(=O)c3ccccc3)n(C[C@H]3CCCO3)c3nc4ccccc4nc23)cc1 1275378 NLMGPLUNLWMVFP-HXUWFJFHSA-N 562.673 4.706 0 40 KJAB O=c1cc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)c2cc3c(cc2o1)CCC3 2618040 HGIFAILSUHYSTP-UHFFFAOYSA-N 523.636 4.799 0 40 KJAB CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)c(C)c3)c(=O)c3cc(OC)c(OC)cc32)cc1 2690732 BCWUAGNFZNTXBX-UHFFFAOYSA-N 514.578 4.904 0 40 KJAB aggregator O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 2723587 ZSXGVFZEYQJUQS-UHFFFAOYSA-N 500.989 4.845 0 40 KJAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(SC(F)F)cc3)o2)c1 3240812 ZOJXKGIFAUJVRL-UHFFFAOYSA-N 528.628 4.813 0 40 KJAB CCOC(=O)c1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(C)=O)cc2)sc(C)c1C 3321863 BGGNOBAJHPARRG-UHFFFAOYSA-N 539.639 4.988 0 40 KJAB Cc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)c3ccccc3)cc2)cc1 9445878 CQMRQYWLWFYJDA-OAQYLSRUSA-N 515.562 4.958 0 40 KJAB Cc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC(C)(C)C)c2cccs2)c(C)c1 12478778 JJCKMMGTFDLWSV-QHCPKHFHSA-N 506.632 4.609 0 40 KJAB COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccc(C)cc2)c(OC)c1 12712636 GZVFYGSQGQBZEH-GDLZYMKVSA-N 529.641 4.694 0 40 KJAB CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 14412650 PPVIGMYXFGTAAD-UHFFFAOYSA-N 500.020 4.622 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1C 20014487 NVIQPSPYXWIJOR-HXUWFJFHSA-N 501.048 4.768 0 40 KJAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1c2c(nc3ccccc13)N(c1cccc(Cl)c1)CC2 36054509 VOPDMFHHSNLNSE-UHFFFAOYSA-N 526.040 4.979 0 40 KJAB Cc1ccccc1CN(c1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1)S(C)(=O)=O 44874071 HOAHSANBHDFZAW-UHFFFAOYSA-N 505.684 4.877 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(Br)cc2)Cc2ccccc2)cc1C 59836310 PDIGUXLOLCMVIM-IBGZPJMESA-N 531.472 4.834 0 40 KJAB CCc1cc2c(=O)c(-c3nc(C)cs3)c([C@H](N)Cc3ccc(O)cc3)oc2cc1OC(=O)[C@H](N)Cc1ccc(O)cc1 70664754 ACHXXXBSHHVADS-JWQCQUIFSA-N 585.682 4.916 0 40 KJAB biogenic COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)ccc1O 97954576 CTCQFSBMMNVBBQ-FKBYEOEOSA-N 529.774 4.868 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2NS(=O)(=O)c2c(C)cc(C)cc2C)c1 97982933 FMDYXVITAMTYAG-UHFFFAOYSA-N 559.710 4.704 0 40 KJAB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2cccc(Br)c2)N1CCCN1CCOCC1 98046719 ZZKTXZRJBDORBE-OAQYLSRUSA-N 562.258 4.586 0 40 KJAB COc1cc(N(C(=O)Cc2c[nH]c3ccccc23)[C@H](C(=O)NC2CCCCC2)c2cccs2)ccc1-n1cnnn1 100333247 CUIGEYNBUVNLLL-LJAQVGFWSA-N 569.691 4.980 0 40 KJAB Cc1ccc(Cn2c3ccccc3n3c(SCC(=O)Nc4ccc(S(=O)(=O)NC5CCCC5)cc4)nnc23)cc1 100449249 WEIUWJVYZLNSIA-UHFFFAOYSA-N 574.732 4.992 0 40 KJAB CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc(F)cc3)C(=O)N12)C(=O)NC1CCCCC1 102740600 KKUKRBDEACTEGJ-JWQCQUIFSA-N 563.699 4.842 0 40 KJAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)c1ccccc1 103082240 GLUOLWGLSJPCSA-AREMUKBSSA-N 560.657 4.955 0 40 KJAB C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 103131539 SQBXRUZSZXHPBZ-FATZIPQQSA-N 587.865 4.649 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 105498548 XBETZNWJGBOQJI-VZIOXZNFSA-N 619.921 4.538 0 40 KJAB CC[C@@H](Sc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)N2CCN(c4ccccc4)CC2)cc1)OCO3)C(=O)NCc1cccnc1 150445510 NVRBQFOTPBAAKQ-MGBGTMOVSA-N 676.799 4.718 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 215940236 BJFLOVAPFNBHOB-JOCHJYFZSA-N 620.591 4.863 0 40 KJAB O=C1NC(=O)[C@@H]2[C@@H]1Sc1c(sc(=O)n1-c1ccccc1)[C@@H]2c1cn(Cc2ccccc2)c2ccccc12 222103242 NHKZNQOKWPYMRU-SGNDLWITSA-N 523.639 4.781 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 222528130 KGTIHNFSJYKNEI-RBISFHTESA-N 629.751 4.769 0 40 KJAB CCOC(=O)C1(c2ccc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)cc2)CC1 222702395 CHIUICWODOTITM-UHFFFAOYSA-N 529.014 4.753 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1C 222818724 UQTSXWSYCGSAFW-NRFANRHFSA-N 536.138 4.835 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 223164253 UDLOWGGLZDPBCS-DEOSSOPVSA-N 515.720 4.572 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 223170730 HLJHWCLBPDNAIU-NDEPHWFRSA-N 570.155 4.971 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223242422 GHRSLDZUCNEGHQ-AREMUKBSSA-N 576.546 4.844 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 223262145 AULICBDAQQYPBU-OAQYLSRUSA-N 651.542 4.959 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223298442 WEHXEZKXIZWIKP-VWLOTQADSA-N 529.747 4.781 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 223381530 CKVPWORWMRLVRT-VWLOTQADSA-N 578.518 4.751 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 223658260 GVOYWDLZNWZOMJ-JOCHJYFZSA-N 616.578 4.823 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(Cl)cc1 223661862 SXPODUOVZSGDHO-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 223750557 FMQRVSOCWHVESK-AREMUKBSSA-N 626.097 4.910 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 223973861 UGOKXWUHMWBJCS-LJQANCHMSA-N 578.518 4.751 0 40 KJAB COc1cccc(CN(C(=O)COc2ccc(Cl)cc2Br)[C@H](C)C(=O)NC2CCCC2)c1 224035120 AQRKUPODFWIZBG-MRXNPFEDSA-N 523.855 4.966 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 224146099 XDOXCNFSLVCOBO-LJAQVGFWSA-N 549.737 4.708 0 40 KJAB CCCc1ccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1 224212307 FMAMIIAYOSUHMY-LJQANCHMSA-N 513.487 4.683 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1 224248657 QILSWCZPXHUVPN-QFIPXVFZSA-N 572.127 4.733 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1C 224282892 BZUWRTBZSPCMAP-DEOSSOPVSA-N 553.700 4.827 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 224398387 ZQWQXLFSHARZSO-MRXNPFEDSA-N 548.920 4.602 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1Cl 224400497 FAKVALKYKSYBLO-INIZCTEOSA-N 578.946 4.611 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 224549065 FNAQJHWKCSDKQM-MHZLTWQESA-N 636.598 4.943 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 224691917 MQFATHFXQNJXON-QFIPXVFZSA-N 616.578 4.736 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 224775031 AFDXMKQAKOKDPI-KRWDZBQOSA-N 558.503 4.765 0 40 KJAB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224886215 FSKAQYIXXWXZPZ-REUBFRLUSA-N 562.110 4.680 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 224891693 CYZRYGCMINIJDQ-JOCHJYFZSA-N 592.080 4.713 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 225103329 KDXMKXBEHLTVDA-LOSJGSFVSA-N 595.762 4.848 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 225335633 QRCVVXHKFVULRY-RUZDIDTESA-N 564.148 4.679 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 225343977 YYIXJDXVABXTFA-OAQYLSRUSA-N 593.371 4.856 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 225384911 KVLAEPRZXXQQRH-JOCHJYFZSA-N 542.101 4.624 0 40 KJAB CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)cc1 225403365 WQHLANDBIYSJTH-RPWUZVMVSA-N 507.616 4.560 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1nnc(-c2ccc(OC)cc2)s1)S(=O)(=O)c1ccc(C)cc1 225484402 KSASJFDOMZZGEM-UHFFFAOYSA-N 538.651 4.755 0 40 KJAB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(=O)O)c1)Nc1ccccc1 225534448 PLMRWHIRCWOJQD-UIOOFZCWSA-N 511.607 4.572 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 225588497 ZUABIKRMNVABLN-LJAQVGFWSA-N 549.737 4.544 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 225650271 SPIDSUQXGVEDEF-PMERELPUSA-N 597.753 4.937 0 40 KJAB O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)cc1 225803572 ODOIGMQGYVTBIO-UHFFFAOYSA-N 514.028 4.692 0 40 KJAB COc1ccc(CNC(=S)Nc2nc(N3CCN(c4ccccc4)CC3)cc(N3Cc4ccccc4C3)n2)cc1 225931738 PFEWJMJDSBRJQT-UHFFFAOYSA-N 551.720 4.819 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCc2cc(Br)ccc21)c1ccccc1 226049081 SSJPZUORHQXUDW-UHFFFAOYSA-N 515.429 4.551 0 40 KJAB CNc1nc(-c2ccc(OC)c(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(OC)c(Cl)c4)C3)c2)cs1 226049543 UMRSNVNNRCYKPN-INIZCTEOSA-N 551.090 4.562 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c2ccc(C)cc2)cc1OC 260759601 FMFKBATUFRJNGV-XMMPIXPASA-N 593.746 4.684 0 40 KJAB Cc1ccccc1N(CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 260782248 KRRXJOAKWDLSPK-OAQYLSRUSA-N 534.122 4.671 0 40 KJAB Cc1cc(C)cc(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 260797212 OYCRAQLNCMNKCS-JOCHJYFZSA-N 548.149 4.979 0 40 KJAB CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](CC)C(=O)NC)S(=O)(=O)c2ccc(Cl)cc2)cc1 260863256 YMHNOBBFWNPALH-HHHXNRCGSA-N 572.127 4.530 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 260864202 ZCJYSWZWRPVMMW-LJQANCHMSA-N 638.570 4.768 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 261016137 VJMGLQICBWTWFS-VXKWHMMOSA-N 662.205 4.902 0 40 KJAB COc1cccc(CN(C(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 261029459 JFLFFTPQQMFLFZ-WJOKGBTCSA-N 593.790 4.962 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 261120883 ZERVVGADKPBKSZ-LXFBAYGMSA-N 570.155 4.824 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)N1CCN(c2ccccc2F)CC1 408560343 OPSSSFYRGWAWRB-UHFFFAOYSA-N 538.428 4.661 0 40 KJAB Cc1c(Cl)cccc1NC(=O)c1cc2cc(Cl)ccc2n1NC(=O)C(=O)NCCc1ccccc1 408583416 ZRRRCHZNIDUVRW-UHFFFAOYSA-N 509.393 4.938 0 40 KJAB O=C(NCc1ccc(Cl)cc1)C(=O)Nn1c(C(=O)Nc2ccccc2)cc2cc(Br)ccc21 408611342 VXBWSKKMPZGFQF-UHFFFAOYSA-N 525.790 4.696 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CCc3ccccc3)c(Cl)c2)cc1 408636419 QENIKINUGHGDKB-GOSISDBHSA-N 503.020 4.666 0 40 KJAB CCOc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)cc1 408682450 GJKXBJUGWJZQMZ-QLBJFCOMSA-N 526.589 4.954 0 40 KJAB Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 408921012 QSJJTAJESMZGOC-UHFFFAOYSA-N 576.018 4.873 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccn3-c3ccc(Br)cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 408951686 UVPYMRHTBGYASL-IGSWSUAKSA-N 598.906 4.623 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cccc(I)c3)c2=O)=N1 409030589 GIWSGBBMXCLFEK-RQLGBQGVSA-N 667.363 4.954 0 40 KJAB COCCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(I)c2)C1=O 409134013 VGRYCSUNCTULDL-XDHOZWIPSA-N 509.365 4.861 0 40 KJAB CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)COc3cc(C)ccc3C(C)C)n2CC)cc1 409166443 DMDNUDHRQKZJRJ-UHFFFAOYSA-N 525.675 4.555 0 40 KJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3OCC(=O)O)C2=O)cc1Cl 409175283 YVSOPWYDCQKGQE-REZTVBANSA-N 539.791 4.549 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409207338 SGYARSAVNWINHS-FSJBWODESA-N 526.611 4.565 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccccc3Cl)C(C)C)n2C)cc1 409348458 PKGRZNNJXMZDJK-NRFANRHFSA-N 530.050 4.503 0 40 KJAB CCOc1cc(OCC)c(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1Br 409387944 YYADYLCZMVWYTF-GIJQJNRQSA-N 510.362 4.863 0 40 KJAB CC(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)c2cccc(CN3CCCC3=O)c2)Cc2cc(F)c(F)cc21 643554274 OAZQORZXAOXAMZ-UHFFFAOYSA-N 574.672 4.988 0 40 KJAB COc1ccc(CN(Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)C(=S)NCCc2ccccc2)cc1 895790 YCOKHJUXISNFSA-UHFFFAOYSA-N 517.651 4.673 0 40 KJAB CCc1ccc(N(C(=O)[C@H]2COc3ccccc3O2)[C@H](C(=O)NC2CCCCC2)c2cn(C)nc2C)cc1 931334 NLXSMDDYVIALIF-IZLXSDGUSA-N 516.642 4.654 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCc3c[nH]c4ccccc34)c(=O)cc1[C@H](NC(C)=O)CC2 2100305 BHCOVAYRUGCBDE-RUZDIDTESA-N 527.621 4.999 0 40 KJAB biogenic COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCN(Cc4ccccc4)CC3)CC(=O)N21 2111221 MEWHADDSCOJICJ-GMCHKSTQSA-N 534.660 4.526 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 2124330 LSWJMEBYEDYYDZ-LWUPDDLQSA-N 579.472 4.829 0 40 KJAB CCCCn1c(N)c(-c2nc(CC(C)(C)C)c(C(=O)c3ccc(Br)s3)s2)c(=O)n(C)c1=O 2659631 YDLALLYEPOCGMW-UHFFFAOYSA-N 539.521 4.696 0 40 KJAB CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)c(C)c3)c(=O)c3cc4c(cc32)OCCO4)cc1 2690162 ZDWVHDHRLLKEAN-UHFFFAOYSA-N 512.562 4.658 0 40 KJAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1C 6144785 XKLYSKDRUHGMFZ-HNNXBMFYSA-N 552.527 4.666 0 40 KJAB COc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccc(C)c(Cl)c2)cc1 8614166 VPFJFUUJEQCCRO-UHFFFAOYSA-N 541.029 4.903 0 40 KJAB CCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(OC)cc3)N2C1=O 8790308 KLSPAALDHJYYDV-AHKZPQOWSA-N 508.578 4.799 0 40 KJAB biogenic CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccc(C)cc2)cc1 12712552 QFEBFRSCVPXGIH-GDLZYMKVSA-N 511.626 4.879 0 40 KJAB CCOc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC(C)(C)CC)c1ccc(O)cc1 13032356 QBQQYPNKJVRASN-HHHXNRCGSA-N 515.614 4.615 0 40 KJAB O=C(CCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 13127255 GUABTSIRHBZQAH-UHFFFAOYSA-N 520.605 4.661 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccc(N2CCOCC2)cc1 14398948 YCGYWUCKASVXRS-UHFFFAOYSA-N 506.411 4.883 0 40 KJAB CCn1c(SCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)nnc1-c1ccc(N)cc1 19823483 WURVTHOTBYOAOB-UHFFFAOYSA-N 512.683 4.573 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H]3CCCc4ccccc43)cc2)cc1Cl 20020957 FHOIELXLUOEVND-HSZRJFAPSA-N 501.004 4.722 0 40 KJAB COc1cccc(Nc2nc([C@H](C)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc3ccccc23)c1 22052459 MRPVHVIIYCBXCF-IBGZPJMESA-N 521.618 4.589 0 40 KJAB CCOc1cccc(N(C(=O)CCC(=O)Nc2cc(C)on2)[C@H](C(=O)NC(C)(C)C)c2ccc(OC)cc2)c1 38145891 ZNYFKBMPLFAYNH-MHZLTWQESA-N 536.629 4.798 0 40 KJAB CCCSc1ncc(Br)c(C(=O)N[C@H](CCSC)C(=O)Nc2ccc(CC)cc2)n1 46086969 WFRAKEGUPPXXOL-QGZVFWFLSA-N 511.511 4.794 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)c1 59882152 APTRERWTTNYVJH-UHFFFAOYSA-N 613.689 4.786 0 40 KJAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3Br)cc2)n1 60060321 CIIMHMHGYVHFIW-UHFFFAOYSA-N 533.448 4.663 0 40 KJAB CO[C@@]1(C)O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O1 97943230 SCDVHQXHQOSKCS-CGVSFNONSA-N 506.595 4.834 0 40 KJAB Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C(F)(F)F)n2-c2cccc(Cl)c2)s1 97957464 XKZWGIVKEYKDOK-UHFFFAOYSA-N 568.006 4.760 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(C)cc1)N(C(=O)CNC(=O)c1cccs1)c1cc(OC)cc(OC)c1 100414791 WDVOYFZYYSQFCQ-SANMLTNESA-N 537.682 4.883 0 40 KJAB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@@H](CC(C)C)C(=O)OCC(=O)Nc2ccc(C)cc2C)C3=O)c(C)c1 101089799 AWEHOOPETNOGIA-LJAQVGFWSA-N 627.694 4.908 0 40 KJAB COc1cc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)ccc1OCc1ccccc1 103170944 FPMOGYUMRXEUTB-JTAQYXEDSA-N 522.570 4.605 0 40 KJAB COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc(Br)c1O 105990128 YZUYFDBAUXUNHL-TUNNFDKTSA-N 574.225 4.977 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c(Br)c(Br)c1O 106708945 NPKIEAVBVPDEPW-ZROIWOOFSA-N 556.232 4.991 0 40 KJAB CCCc1cc(=O)n2c(C(=O)Nc3ccc(I)cc3C)c(C(=O)Nc3ccc(C(=O)OC)cc3)sc2n1 150409347 VKCIWBRPNDVHBS-UHFFFAOYSA-N 630.464 4.913 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(I)c(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 150492837 KJDIWDNUARQYRR-DVUZPASPSA-N 738.556 4.593 0 40 KJAB Cc1c(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc2n1Cc1ccccc1Cl 214645341 HIFLIRFNJFIOIM-OEAKJJBVSA-N 510.015 4.547 0 40 KJAB COC(=O)c1cn(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)c2ccccc12 222609064 HIVBNCHECBQUFY-HNNXBMFYSA-N 509.411 4.617 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1C 222631545 YIKLQGOOBXNYQZ-DEOSSOPVSA-N 535.710 4.831 0 40 KJAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCCCNc1ccnc2cc(Cl)ccc12 222778230 ULGZAGXIQJENBP-UHFFFAOYSA-N 553.084 4.672 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3C[C@H](C(=O)NCc4ccccc4)Oc4ccccc43)c(C)c2)cc1C 222811395 KJTDURDUPJROGL-WJOKGBTCSA-N 599.709 4.902 0 40 KJAB COc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(=O)(=O)c2ccc(C)cc2)cc1OC 222916087 YKRFVMCNBOWLIO-NRFANRHFSA-N 522.667 4.964 0 40 KJAB COc1cccc(CN(C(=O)COc2cc(OC)cc(OC)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 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CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 224567834 OSPXLBWIBHREQR-RUZDIDTESA-N 602.540 4.694 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 224948929 MTRCOQBGNLEXKH-PMERELPUSA-N 595.737 4.689 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 225112283 FIVRVVCNENEHBT-SANMLTNESA-N 527.731 4.634 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 225135838 RCYMPCCCJYNKRO-SFHVURJKSA-N 584.964 4.735 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 225395550 JKVDGMMQQIIWEH-FCHUYYIVSA-N 662.205 4.902 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225455475 AJGMTWHSVAIDFH-VJGNERBWSA-N 550.099 4.538 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 225518229 OAHCRTRDEUDUGB-WIOPSUGQSA-N 515.720 4.607 0 40 KJAB 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519.936 4.728 0 40 KJAB COc1ccc(NC(=O)CSc2nc(-c3ccncc3)nn2CC(=O)Nc2cc(Cl)ccc2C)cc1 1225073 GVVRKTZQQFYFOM-UHFFFAOYSA-N 523.018 4.680 0 40 KJAB COc1cc(C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC 1514295 CGYULJQJTXNCEB-UHFFFAOYSA-N 516.594 4.953 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccccc4)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 1790938 FSCYPHYXKKLAOY-OXWVMCNISA-N 554.624 4.516 0 40 KJAB CCCCCC(=O)Nc1nc2c(s1)C[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)NCCc1ccc(OC)c(OC)c1 4237038 YZQOQMQFUMUCJI-VAMOTTMSSA-N 601.810 4.844 0 40 KJAB biogenic,in-vitro C[C@H](O[P@@](=O)(O)OCc1ccccc1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 4240100 HOFDVXHILSPFNS-BXKMTCNYSA-N 511.467 4.701 0 40 KJAB O=C(OC[C@@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 4901055 ICXJNBAYBXYBLB-JCUKEYOKSA-N 598.999 4.685 0 40 KJAB Cc1cccc(CCN(Cc2cc3cc(C)ccc3[nH]c2=O)S(=O)(=O)c2c(C)ccc3nsnc23)c1 6442680 ZDDQJTSIBPOZHG-UHFFFAOYSA-N 518.664 4.892 0 40 KJAB 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509.411 4.522 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 22430247 USHVVZKBGUAVGT-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB O=C(NCCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 30871128 FJXWHYVGJAQRBK-UHFFFAOYSA-N 503.879 4.938 0 40 KJAB O=C(O)C[C@@H]1CCN(C(=O)c2ccnc(Cl)c2)C[C@@H]1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 67878670 ZVLSSCJDXNKHKC-ICSRJNTNSA-N 538.998 4.519 0 40 KJAB biogenic,in-vitro CCn1c(SCC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OC)nnc1-c1ccc(OC2CCCC2)cc1 97948459 PXCMYBFIBCUGLU-UHFFFAOYSA-N 571.725 4.876 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 100091868 GBFOOXDKWYAGTH-SANMLTNESA-N 602.065 4.875 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cc(OC)ccc1OC)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F 100355613 MDAQWHRGPVUELS-HHHXNRCGSA-N 533.604 4.667 0 40 KJAB CCCCOc1ccc(N2C(=O)C[C@H](N(Cc3cn(C)nc3C)C(=S)Nc3ccc(C)cc3)C2=O)cc1 101531519 YHOKRTOFTUKXNN-VWLOTQADSA-N 519.671 4.747 0 40 KJAB 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CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 225171560 JXVLIMKRCWNHHZ-NDEPHWFRSA-N 595.762 4.850 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 225475224 UKWFBSWSEVSOFA-MHZLTWQESA-N 665.569 4.753 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 225538461 MUYPJDIGJZNBEY-QFIPXVFZSA-N 572.127 4.794 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 225719588 LZKDUFXPZIAHLT-QFIPXVFZSA-N 706.656 4.868 0 40 KJAB O=C1NC(=O)[C@@H]2[C@@H]1Sc1c(sc(=O)n1Cc1ccccc1)[C@H]2c1cn(Cc2ccccc2)c2ccccc12 245242004 WETYFSUGUCZMBB-SDHOMARFSA-N 537.666 4.840 0 40 KJAB Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@H](OS(=O)(=O)O)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)ccc12 253393400 QITKEEPRPKDMMO-OACKYIMISA-N 730.700 4.701 0 40 KJAB biogenic,in-vitro CCc1ccccc1NC(=O)CN1CCC2(CC1)CN(S(=O)(=O)c1ccc(C)cc1)[C@H](Cc1ccccc1)CO2 257236884 HEEJQORAHVAIFH-MUUNZHRXSA-N 561.748 4.663 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 260776126 JEESJLSWCZNPLL-JOCHJYFZSA-N 539.673 4.661 0 40 KJAB COc1cc2c(cc1OC)N(Cc1ccccc1)S(=O)(=O)C(C(=O)NC[C@H](C)c1ccccc1)=C2C 260854544 ZNNALUAQWWMVMR-IBGZPJMESA-N 506.624 4.705 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 260854786 FPPLDXLMCKWBGB-MUUNZHRXSA-N 614.606 4.942 0 40 KJAB COc1cc(C)c([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1C(C)C 260924511 IEMGROBGQKEJJK-AVRWGWEMSA-N 502.677 4.829 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc2c(c1)OCCO2 260938654 CNGSACQEJRQSAE-MUUNZHRXSA-N 626.175 4.576 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c2ccccc2)cc1 260952211 JZAKCPNLCNHDQI-RPWUZVMVSA-N 565.736 4.785 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 260997891 RCLNJGOSWGZMRS-ZEQRLZLVSA-N 551.709 4.885 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 261012766 HDWYXEFTZDXBMF-BTYSJIOQSA-N 583.726 4.545 0 40 KJAB Cc1ccc(C)c(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 261035831 XZUPOCMHGYUYBR-OAQYLSRUSA-N 536.138 4.835 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 261045703 ZICJCRDHGONFOR-CVEARBPZSA-N 593.371 4.854 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 261060412 NSGARHGKMLSLEM-CVEARBPZSA-N 593.371 4.854 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)cc1C 408561402 RZDMJKRFJHWZSJ-MUUNZHRXSA-N 561.748 4.728 0 40 KJAB COc1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)c(OC)cc1Cl 408594220 PCYRXVJIYVYNIU-FQEVSTJZSA-N 509.411 4.539 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 408601221 ANAXEHHEOFFCGG-AWEZNQCLSA-N 507.395 4.539 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 408626552 ZOBWHGNGVQUSQG-UHFFFAOYSA-N 538.666 4.833 0 40 KJAB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)c1 408639271 FMGLVARLNGPLRT-DNQXCXABSA-N 575.017 4.983 0 40 KJAB COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)Nc2cc(Cl)c(Br)cc2C)CC1=O 408644521 GICFNOBSLRNZJQ-GFCCVEGCSA-N 530.202 4.608 0 40 KJAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)CC1=O 408671352 UGOFZDZMXKWSEC-RZZQQNDFSA-N 502.611 4.696 0 40 KJAB CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1OC 408866169 GAKQOAPJGIQKJU-YVLHZVERSA-N 509.353 4.671 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccc(I)c4)c(=O)n32)cc1 408942496 GAWQSUSJZSLIBV-OGRZUZBBSA-N 621.500 4.877 0 40 KJAB COc1ccccc1N1CCN(C(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 409059034 QPGSVXJQQQZQEY-UHFFFAOYSA-N 592.943 4.651 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(SC)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409086749 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CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1c(C)cc(Br)cc1C 409363321 VYKNCUVIEIBUPP-UHFFFAOYSA-N 536.883 4.992 0 40 KJAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCc4ccc(C(=O)O)o4)c(OC)c3)C2=O)cc1 409384875 GKNKZZCSSFLAEU-QRVIBDJDSA-N 552.561 4.639 0 40 KJAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)c1OCc1ccccc1 409401311 WSUGYHJWEANXFY-NDENLUEZSA-N 555.381 4.899 0 40 KJAB C[C@H](CCC(=O)NCc1ccccc1F)[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 1889149099 DSORMWBMAFJNTI-FYPBUOESSA-N 515.710 4.820 0 40 KJAB CC(C)Cc1cc(C(=O)N2CCC3(CC2)C[C@@H]([C@H](O)c2ccccc2)N(Cc2ccccc2)C3=O)on1 2037873590 YRZKGDLRHWSMPK-AHKZPQOWSA-N 501.627 4.630 0 40 KJAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)S(=O)(=O)c3cccc(C(C)=O)c3)cc2c1 914160 DTHUCQJJEASYJQ-UHFFFAOYSA-N 504.608 4.693 0 40 KJAB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)Nc1ccc(Oc2ccccc2)cc1 941760 XCEAWGGTLFWUFX-MHZLTWQESA-N 520.541 4.868 0 40 KJAB CCCOC(=O)c1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(CCc4ccccc4)C3=O)cc2)cc1 1953589 OWXAKZPXPAILCV-UHFFFAOYSA-N 531.996 4.980 0 40 KJAB Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 4523195 WRFWNCVDEVBPJK-AEHZEFANSA-N 537.620 4.694 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2CC)sc(C(C)=O)c1C 6878295 XRHIGJVJMCYIAS-UHFFFAOYSA-N 519.624 4.529 0 40 KJAB CCOc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)Nc2ccc(OC)cc2OC)cc1 9383909 GXVFILLDWCAUPS-UHFFFAOYSA-N 520.611 4.993 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C 13024059 YNQJPCFHSHDDJL-HHHXNRCGSA-N 529.641 4.836 0 40 KJAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 14019099 XUESVJVNSFKRTQ-SFHVURJKSA-N 500.979 4.750 0 40 KJAB COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC 16043104 GVFGORHLALSXTD-HIQQRFGFSA-N 511.615 4.638 0 40 KJAB biogenic CCCCNS(=O)(=O)c1ccc2nc(SCC(=O)N3CCc4ccccc43)n(CCCC)c2c1 16638906 BLPDFUSRAVQGNZ-UHFFFAOYSA-N 500.690 4.596 0 40 KJAB COC(=O)c1cccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1C 19855811 KRZKMINBDXFVIW-UHFFFAOYSA-N 517.003 4.586 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(SC)cc3)cc2)cc1 20020499 LDHKOJHAFMIGJT-SFHVURJKSA-N 500.642 4.864 0 40 KJAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)c1cccc(Br)c1 20023031 SHUGEKMZIMRKQT-CQSZACIVSA-N 515.857 4.580 0 40 KJAB CCCCNC(=O)CC[C@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3cccc(C)c3)N2C1=O 20642787 TYYDHBVQHASPBS-DHIUTWEWSA-N 519.671 4.801 0 40 KJAB O=C(COc1ccccc1F)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 21796379 VXJNHOGMLUDORZ-UHFFFAOYSA-N 507.569 4.954 0 40 KJAB Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c1 22869713 SMRBXHOACNOIKX-CYTLCNBWSA-N 589.744 4.807 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccc(Br)cc1 59834261 PBTPVAGPNMRWFX-XMSQKQJNSA-N 531.472 4.533 0 40 KJAB COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CC(C)C)C(=O)O)C(=O)N32)c1 70706269 AAQMEKVMBSHQSI-MDZVADFISA-N 580.641 4.889 0 40 KJAB biogenic COc1ccc(CCn2c(C)c3c(=O)n(-c4nc5ccccc5s4)[nH]c3c(C(=S)NC(=O)c3ccccc3)c2=O)cc1 98042786 RZSQNWVYXOBEMT-UHFFFAOYSA-N 595.706 4.755 0 40 KJAB COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1cccc(NC(=O)C(C)C)c1 100298712 OLSCKEAZHXYSMI-UHFFFAOYSA-N 529.254 4.942 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(C(=O)CCC(=O)Nc1cc(C)on1)c1ccccc1F 100416023 XPUJOMAXBVFVQB-AREMUKBSSA-N 554.619 4.937 0 40 KJAB COc1ccc(CCn2c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs/c2=N\c2ccccc2)cc1OC 100886792 RVOABKJESPPQNK-FLWNBWAVSA-N 565.717 4.730 0 40 KJAB O=C1[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1c1ccc(F)c(Cl)c1 101326470 SMTMSRNLNMFOFB-NLJXWPIHSA-N 549.389 4.782 0 40 KJAB CCn1nc(C)c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)c1C 101611505 UEJHXCMDAKQMTQ-RISWYLRJSA-N 546.096 4.669 0 40 KJAB COc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccc(OC(=O)c4ccccc4)cc3)N(c3ccccc3)O[C@H]2C1=O 102740320 YOQWWPKGYIQFCM-UPRLRBBYSA-N 520.541 4.966 0 40 KJAB COc1cc(NC(=O)C(C)(C)N(C[C@H]2CCCN3CCCC[C@@H]23)C(=O)c2cc(OC)cc(OC)c2)cc(OC)c1 103578543 NNEKNKRPIKOYEZ-PIKZIKFNSA-N 553.700 4.845 0 40 KJAB CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccc(C)cc2)cc1 106727817 ACAORQWTQGQIHQ-UHFFFAOYSA-N 573.762 4.726 0 40 KJAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)S(C)(=O)=O)cc1Cl 113620313 LAGJXYYYZSSGIV-SFHVURJKSA-N 566.101 4.559 0 40 KJAB COc1ccc(CN(Cc2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 150387375 LFIZMKTWVYZBEV-UHFFFAOYSA-N 651.807 4.949 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 214683616 GTYACMKSAADBLS-FYJGNVAPSA-N 642.899 4.817 0 40 KJAB COC(=O)c1cn(C(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c2ccccc12 222574434 BTJOTJDVTCHMLO-UHFFFAOYSA-N 527.396 4.726 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222973718 IFEKUJZZZRVISU-HHHXNRCGSA-N 648.609 4.943 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 223153494 GJSHJVIVRHPHMW-HHHXNRCGSA-N 551.709 4.613 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 223255294 PVYXYHVMRCIJSL-VWLOTQADSA-N 529.747 4.880 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C(F)(F)F)c2)c2cccc(Cl)c2)cc1 223403168 RHOVKUMUGSGNQA-UHFFFAOYSA-N 512.937 4.879 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223446064 LBTKEKPHNTYUBR-XMMPIXPASA-N 641.787 4.640 0 40 KJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223537272 YSFKDURJJMJWLA-VWLOTQADSA-N 625.788 4.674 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223568698 FUQMCZLPJFEQGQ-HHHXNRCGSA-N 581.735 4.623 0 40 KJAB COc1ccc(N(CC(=O)NCCOc2ccc3ccccc3c2)S(=O)(=O)c2ccc(C)cc2)cc1 223588879 RBVLEPXANJKVAS-UHFFFAOYSA-N 504.608 4.547 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 223603591 JKBLMHBSECYPHO-QFIPXVFZSA-N 542.101 4.706 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1 223797023 QCDGYPRZYIUDHT-DEOSSOPVSA-N 593.746 4.684 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c(C)c1 224168188 ZHXNBRGIXOBHCL-NDEPHWFRSA-N 549.737 4.624 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 224172158 JUUMNJLCYSUVAU-MHZLTWQESA-N 586.154 4.589 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 224279401 MOQBRQZLJRXOLX-AREMUKBSSA-N 549.684 4.686 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 224284929 GWGMTSKTMIYZJN-QHCPKHFHSA-N 569.699 4.528 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccccc1 224357013 QVBCCRJBDZGNEZ-SANMLTNESA-N 539.673 4.527 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 224580638 ZYBHBULNAMWGHO-SANMLTNESA-N 529.747 4.738 0 40 KJAB COc1ccc(Cl)cc1N(Cc1ccc(C(=O)NCCOc2ccccc2Cl)cc1)S(C)(=O)=O 224761760 FIROZKQFTBEGSC-UHFFFAOYSA-N 523.438 4.777 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224830869 KCOIAHCSGZGRJR-NDEPHWFRSA-N 549.737 4.543 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc(F)cc1 224925255 LTVBQLMONLJUNJ-NDEPHWFRSA-N 586.129 4.944 0 40 KJAB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224933971 DIYJOHQYIYICKS-OZNIXHKMSA-N 562.110 4.680 0 40 KJAB CCn1c(=O)sc2cc(NC(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)ccc21 225086266 NMFFFZSDZZOEAF-UHFFFAOYSA-N 516.044 4.955 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 225118490 LKCBYTKEAMSOAY-HHHXNRCGSA-N 581.735 4.541 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 225368264 QWTMRJSMEUMVJP-NDEPHWFRSA-N 565.736 4.841 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 225445881 RJUXYIKMXWCUSH-GOSISDBHSA-N 612.468 4.827 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225507315 ODJXYUPTAXPVGC-NRFANRHFSA-N 560.091 4.925 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 225549962 USOWWGUQZGMYEM-HKBQPEDESA-N 569.727 4.885 0 40 KJAB O=c1sc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2n1Cc1ccc(Cl)cc1 225786818 PZTPGAULRBHYSN-UHFFFAOYSA-N 534.490 4.929 0 40 KJAB CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc4ccccc34)c(=O)n2[C@H]1c1ccc(SC)cc1 254823818 ZJRYOULSRQLONL-VWLOTQADSA-N 500.645 4.673 0 40 KJAB CC(C)=CCC[C@@]1(C)Oc2c(OCC(N)=O)cccc2[C@H]2OC[C@@]3(C[C@@H]21)CN(C(=O)OC(C)(C)C)CCO3 257276073 NSGDJOOAYOEDLI-AGLJVPFOSA-N 530.662 4.532 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1Cl 260713348 DCWVXENCVAQDMP-JOCHJYFZSA-N 572.127 4.794 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 260771681 WYQQICSARCOMIS-XMMPIXPASA-N 551.709 4.531 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 260809304 RQZONSYLAZQIDW-LJQANCHMSA-N 584.566 4.943 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 260839273 ABIFGOOYHVTFAU-MUUNZHRXSA-N 630.605 4.779 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 260869289 KHECCYVRCUUTEX-MUUNZHRXSA-N 570.155 4.888 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 260929199 VWASHWKNRJNAPP-ZEQRLZLVSA-N 551.709 4.531 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 261002314 RVDCMRWCVCIMGR-YADHBBJMSA-N 572.127 4.876 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 261026358 WOUMYRRGZGDRJL-IADCTJSHSA-N 583.726 4.794 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 261062480 NZNPTMVHJHBYRY-DWACAAAGSA-N 660.631 4.787 0 40 KJAB COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1NC(=O)c1ccc(Cl)cc1Cl 408562221 YGZFWZBYLZCCEJ-UHFFFAOYSA-N 534.465 4.761 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408629939 KTSBZXQGRWYDEW-UHFFFAOYSA-N 565.692 4.862 0 40 KJAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H](C(C)C)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408685441 QSCJWKLFUKBQAQ-AUZHQEEXSA-N 573.045 4.747 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408751748 BBCCOMQYRIDUOA-ZGOFBEGVSA-N 561.059 4.649 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc(C(=O)OCC)cc4)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408835371 YOEGQXIANFUAKC-WWWKDLBZSA-N 596.705 4.862 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1cccc(OC)c1OCC 408911255 MLQPNMQEGKDQHT-QXHVWWCLSA-N 534.678 4.503 0 40 KJAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(OCC)c(OCC(=O)Nc3ccc(F)cc3)cc2Br)C1=O 409020991 WPUIRPBWGHBYBI-FVUPAENESA-N 595.443 4.992 0 40 KJAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cccc(OCc4ccc(F)cc4)c3)c2=O)=N1 409043083 ZIOFHXIHVUUCLK-ABBNRAPFSA-N 528.605 4.516 0 40 KJAB Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCCC4)c4ccc(Br)cc34)NC2=S)cc1C 409142293 XVNXSUTZGRSGST-UUYOSTAYSA-N 537.483 4.905 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 409168385 LZNMPUATQZJWGO-IWIPYMOSSA-N 531.590 4.696 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)c(Br)cc1O 409183244 SYNUSCTVLPXLSC-GRSHGNNSSA-N 505.390 4.791 0 40 KJAB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409227145 PKWOWHCJUILNJD-LPYMAVHISA-N 505.958 4.767 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2cc(Br)c(O)c(Br)c2)C1=O)N1CCc2ccccc2C1 409383474 YMMXGOHRHPFVKO-MFOYZWKCSA-N 552.244 4.538 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 409410925 APVGLCNXVLUYPH-UHFFFAOYSA-N 529.684 4.695 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)c(OC)c1 409411231 UZZNNRYVHPWWAT-UHFFFAOYSA-N 567.645 4.558 0 40 KJAB COCCN1CCCCCCN(C(=O)Cc2ccc3c(c2)OCO3)[C@@H](CC(C)C)COc2ccccc2C1=O 1615110513 AFHSIAIBHDHLMM-VWLOTQADSA-N 538.685 4.943 0 40 KJAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3nc4ccc(OC)cc4s3)cc2)cc1 3242496 YWDMBKBVWDWMJE-UHFFFAOYSA-N 527.624 4.546 0 40 KJAB Cc1ccc(-c2ccc(OC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c(C)c2)cc1 3362685 GOAXWFSRWKICKH-UHFFFAOYSA-N 507.608 4.748 0 40 KJAB COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2ccc(OC)cc2N(C(=O)COc2ccccc2)C1(C)C 8386597 KVGYUHPFVGRYCK-UHFFFAOYSA-N 713.808 4.691 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4ccccc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 8407022 UNTGIIXZBWUNOZ-YNMQQHPQSA-N 619.095 4.688 0 40 KJAB O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1)Nc1cccc(C(F)(F)F)c1 8445208 FJMOXXNGAXDWSX-UHFFFAOYSA-N 632.694 4.648 0 40 KJAB CCCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4cccc(OC)c4OCCC)c(=O)n32)cc1OC 8452470 NTDUKHVUROPVHF-QWYUUOJISA-N 594.730 4.783 0 40 KJAB O=C(NC[C@H]1CCCO1)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C1=O 8790129 KNFHTQBFBWLJMB-PBZMZIQDSA-N 520.589 4.560 0 40 KJAB biogenic O=C(C[C@@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc(I)cc1 8922499 ONEXSOFCQQUYGP-VWLOTQADSA-N 511.359 4.731 0 40 KJAB COc1ccccc1NC(=O)[C@H](CCSC)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 9201797 QDBRCJQGWLXIDH-PVNGZWCFSA-N 512.631 4.648 0 40 KJAB COC(=O)c1cc2cc(NC(=O)c3ccc(OC)c(S(=O)(=O)N4CCCCCC4)c3)ccc2s1 20025128 BJCGQJVQFTWZCC-UHFFFAOYSA-N 502.614 4.514 0 40 KJAB O=C(NCCSCc1c(F)cccc1Cl)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20040731 JWNQYJMUJNYYII-FQEVSTJZSA-N 513.100 4.503 0 40 KJAB CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)C(C)C)cc3Cl)CC2)cc1 22826631 MKYLZZNRBXFOCB-UHFFFAOYSA-N 503.068 4.560 0 40 KJAB O=C(NCc1cccc(Cl)c1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 27100845 KQGYVLYEPOAZLA-QFIPXVFZSA-N 508.949 4.791 0 40 KJAB C[C@H](Sc1ncccc1C(=O)O[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 36245339 VYFYCASABKWRPC-GNBJBIQKSA-N 517.736 4.989 0 40 KJAB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1-n1ccnc1 44900981 WGLXHWMMRVAHTI-UHFFFAOYSA-N 515.422 4.691 0 40 KJAB C/C=C(\C)C(=O)O[C@H]1C[C@@H](O)[C@@]2(C)CO[C@H]3[C@H]4O[C@@H]5C[C@@H](c6ccoc6)C(C)=C5[C@@]4(C)[C@H](CC(=O)OC)[C@]1(C)[C@@H]32 96085756 MJNRBOGIPLCVIM-LJEOTECVSA-N 554.680 4.720 0 40 KJAB biogenic,in-vitro O=C1[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)N(Cc4ccccc4)c4ccccc43)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 98009069 XPHWSLMTNITVDN-GBXYDCMPSA-N 531.534 4.731 0 40 KJAB CCOC(=O)C1CCN(CN2C(=O)[C@@]3(SCC(=O)N3c3ccc(OCc4ccccc4)cc3)c3ccccc32)CC1 100236968 HHEFZJOCSBEGEF-YTTGMZPUSA-N 571.699 4.778 0 40 KJAB COc1ccc(-n2c(/C=C3/C(=O)N(C)c4ccccc43)nc3ccc(I)cc3c2=O)cc1 100779754 ZELXFTISOBZFII-XMHGGMMESA-N 535.341 4.516 0 40 KJAB CCCCNc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccccc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C 102938034 NGYOSDNTEXNDNN-UHFFFAOYSA-N 558.726 4.833 0 40 KJAB Cc1ccc(NC(=O)Cn2c([C@H](C)NC(=O)c3ccccc3)nc3ccccc32)cc1S(=O)(=O)N1CCCCC1 103053282 STKHIONGPDSOOS-QFIPXVFZSA-N 559.692 4.649 0 40 KJAB O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(I)cc1 105318392 UHWMZIHJDYUNIN-UHFFFAOYSA-N 556.473 4.740 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 105498960 DWOFCRSCNZOOFT-GTWFGUSFSA-N 574.680 4.567 0 40 KJAB COc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(Br)cc2)cc(OC)c1 206592110 IZNLZCKAVWRNOU-UHFFFAOYSA-N 532.441 4.958 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(=O)(=O)c2ccc(C)cc2)c1 222915993 NBMYAMDQTCYEFA-NRFANRHFSA-N 522.667 4.964 0 40 KJAB CC(C)OCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 223026298 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4.770 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN1C(=O)c2ccccc2C1=O 223356325 YWFXVDKAHBBZFT-FUFSCUOVSA-N 539.676 4.926 0 40 KJAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)cc1C 223431444 OOZYFKDRMIZQMF-DEOSSOPVSA-N 505.684 4.609 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 223703000 YNFIWNOUTDULJN-JOCHJYFZSA-N 602.153 4.723 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 223752657 LCUMBYAQPVDDEL-HXUWFJFHSA-N 576.090 4.627 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 223812588 VAUZYPDOMYASIY-AMGIVPHBSA-N 640.600 4.929 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 223988054 AHZCNFOXXCFARQ-QFIPXVFZSA-N 572.127 4.714 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 224149349 KQUFCPLGJMNZHA-SANMLTNESA-N 539.673 4.581 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 224272805 UIPJZRLDSLJSLL-LJQANCHMSA-N 542.529 4.729 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 224609886 MQLWQYCGHGCXOA-LJAQVGFWSA-N 565.736 4.779 0 40 KJAB COCc1cccc(NC(=O)c2ccc(CN(c3ccc(Br)cc3)S(C)(=O)=O)cc2)c1 224681754 JGNOQXMIHHSQOD-UHFFFAOYSA-N 503.418 4.814 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 224715387 MVNGKAYZTYQSDI-INIZCTEOSA-N 605.382 4.998 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 224743750 ILNRWBUAFMGUCU-NDEPHWFRSA-N 569.699 4.609 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 224758027 IIGIPESFPSPMTF-FQEVSTJZSA-N 586.552 4.699 0 40 KJAB Cc1ccc(OCCNC(=O)CCCN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c(C)c1 224792449 IFPNPDHAZJYFRQ-UHFFFAOYSA-N 506.974 4.717 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 225048095 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CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 225563133 HFTXLCSJKYPZIY-OAHLLOKOSA-N 568.445 4.720 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 225606196 WAHDFDXWQVOGGW-XMMPIXPASA-N 582.937 4.799 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)c2cccc(Cl)c2)cc1 225685162 GVQUFLDOYQCNSX-NRFANRHFSA-N 590.117 4.873 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)cc1 225753317 NYDGHUTVYOPSHQ-PMERELPUSA-N 563.764 4.736 0 40 KJAB CNc1nc(-c2ccc(OC)c(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)c2)cs1 226088699 LAUMQJIEXYOGRI-INIZCTEOSA-N 521.064 4.553 0 40 KJAB CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@@H](c3ccccc3)C2)cc1 226818040 CPZJWUYRYDMDMM-HSZRJFAPSA-N 504.033 4.642 0 40 KJAB CC(C)c1cccc(N[C@H]2CC[C@@H](C(=O)N(CC(=O)O)Cc3ccc4c(c3)CC(C)(C)O4)CC[C@@H]2O)c1 257314106 UVIOKUNUKQMCHA-NYMACZPPSA-N 508.659 4.969 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](CC)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 260799267 PRIPWJQRAXFEIB-HSZRJFAPSA-N 572.555 4.880 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)c1 260828992 ZYXJRSIITGPBJB-GOSISDBHSA-N 570.539 4.634 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 260986330 BWUMAIRDWABFKS-OUTSHDOLSA-N 567.727 4.781 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)N[C@H](C)CC)S(C)(=O)=O 261022907 WGKSZIIXYIPDGQ-NHCUHLMSSA-N 552.137 4.617 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC)S(C)(=O)=O 261039530 KGOBJRVABHYEDA-RNAHPLFWSA-N 563.764 4.878 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 261061463 NUVTYQVNYGFSCW-GOTSBHOMSA-N 539.673 4.661 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c(C)c1 408547420 JJHPDHFALKJNSR-NRFANRHFSA-N 529.684 4.514 0 40 KJAB 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4.927 0 40 KJAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(OC)c(OC)c4)c(=O)n32)c1 408772442 LRMVAFKOOBKXSM-LMSRTUJASA-N 667.525 4.504 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)c2=O)=N1 408828864 JUFCLSICCHGCAQ-DDBFQISPSA-N 612.704 4.864 0 40 KJAB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(I)c(O)c(OC)c2)C1=O 408884921 WAFHPHLGHVATMK-APSNUPSMSA-N 608.332 4.708 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(CC)c4ccccc34)c(=O)n2[C@@H]1c1cccs1 408914397 NWHWADBSECBJQR-ZEKHAJRLSA-N 539.682 4.972 0 40 KJAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)c(I)o3)C2=O)cc1 408952224 LMMFKAJIKAQAHR-ZSOIEALJSA-N 577.194 4.720 0 40 KJAB COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1Br 408955781 QTEFHSZOBSZINU-YOURIZNBSA-N 636.362 4.729 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 409016291 GMNRZSGIJKEGBV-FUFNRSNVSA-N 740.572 4.697 0 40 KJAB COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C(C)C)c(OC)cc4C)c(=O)n32)c1 409016719 HCKLBXSPVYZUJA-MFCBUNOESA-N 534.678 4.636 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)[nH]c4ccccc34)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409087410 YPSLOFVAIMLQQC-LNXFQTKESA-N 610.530 4.758 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(Cl)c(Br)c2)nnc1[C@H](C)NC(=O)c1ccccc1 409126090 NTFCALVSLXMTQV-ZDUSSCGKSA-N 522.856 4.936 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(Br)c1OCc1ccc(Br)cc1 409127471 HNTLLBLXPGAGGT-LZYBPNLTSA-N 557.216 4.920 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3ccc(OCC(=O)N4CCCC4)c(OCC)c3)c2=O)=N1 409170814 XIAXIHOQMBCLPY-CTHKJOMYSA-N 712.663 4.750 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409176564 REVLGSRNCTXACP-UHFFFAOYSA-N 669.778 4.973 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(Br)c(Cl)c2)nnc1[C@@H](C)NC(=O)c1ccccc1 409346370 LATRGNHQHDUGTF-CYBMUJFWSA-N 522.856 4.936 0 40 KJAB CCCOC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccc(Cl)cc3)C(C)C)n2C)c1 409356164 FQRQPPFLNSSINH-QFIPXVFZSA-N 544.077 4.893 0 40 KJAB Cc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2ccccc2Br)cc1 409388362 UKZRHDKXXOGVGF-FGZHOGPDSA-N 540.366 4.540 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(OCC(=O)Nc4ccc(C)cc4)ccc4ccccc34)C2=O)o1 409403116 YTBKMHOBUXYRJU-IWIPYMOSSA-N 539.544 4.638 0 40 KJAB CC(C)CC(=O)N1CCCN(c2ccccn2)CCN(C(=O)c2cccc(-n3cnnc3)c2)Cc2ccccc21 643554148 BHRKJRPGEXJJKE-UHFFFAOYSA-N 537.668 4.594 0 40 KJAB O=C(Cn1c(=O)c2ccccc2n(Cc2ccc(F)cc2Cl)c1=O)NCc1ccc(Cl)cc1Cl 1889303097 SSZYZSANINZLDQ-UHFFFAOYSA-N 520.775 4.627 0 40 KJAB CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 1374897 WMOGWHSHCQXQGJ-AREMUKBSSA-N 528.657 4.815 0 40 KJAB O=C(CCCCCNS(=O)(=O)c1ccc(Br)cc1)NCc1ccc(Cl)c(Cl)c1 3021206 NDTOOLCBJQKGBS-UHFFFAOYSA-N 508.265 4.911 0 40 KJAB CC(C)N(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1ccc(F)cc1)c1ccccc1 3239401 UPVHNOUQBQXNLT-UHFFFAOYSA-N 553.685 4.857 0 40 KJAB COc1ccccc1NC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc3ccccc3c2)C1 4258891 PODWOVPWRPULPI-WMZHIEFXSA-N 508.578 4.914 0 40 KJAB biogenic,in-vitro O=C(Nc1cccc(O)c1)c1ccc2c(c1)C(=O)N(c1cccc(N3C(=O)c4ccc(C(=O)Nc5cccc(O)c5)cc4C3=O)n1)C2=O 8398343 WPUCJTCTEACBER-UHFFFAOYSA-N 639.580 4.599 0 40 KJAB COC(=O)c1ccccc1NC(=O)CSc1nnc(CCCCCN2C(=O)c3cccc4cccc(c34)C2=O)o1 8433196 KHBSMZKIUMJAOA-UHFFFAOYSA-N 558.616 4.749 0 40 KJAB COc1ccc2cc([C@@H]3CC(c4ccc(OC)c(OC)c4)=NN3C(=O)CCCC(=O)O)c(Cl)nc2c1 8817645 WUWMIAIQOJWILI-NRFANRHFSA-N 511.962 4.847 0 40 KJAB CCN(CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cc(OC)c(OC)c(OC)c1 8834880 HTFBOWBXBQDPAJ-QHCPKHFHSA-N 515.006 4.749 0 40 KJAB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1 9232700 DQBHENFMJQEKBL-OASJLCFRSA-N 518.566 4.552 0 40 KJAB COc1ccc(CN2C(=S)N(c3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccc(C)cc2C)cc1OC 9428481 FMHRKNQFVDUKKS-QHCPKHFHSA-N 503.624 4.852 0 40 KJAB CCOc1cccc2cc(-c3csc(NC(=O)[C@@H]4CCCN4S(=O)(=O)c4cccs4)n3)oc12 10750729 CKJLWWOMRBKDHM-INIZCTEOSA-N 503.627 4.808 0 40 KJAB O=C(O)C[C@@H]1CCN(C(=O)c2ccc(F)cc2)C[C@@H]1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 12481620 UNFGHXRDFYVNKF-SFTDATJTSA-N 521.555 4.610 0 40 KJAB biogenic,in-vitro CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(C(=O)CNC(=O)c1cccs1)c1ccccc1F 12488588 ZUZYGZLBGPUWDB-XMMPIXPASA-N 511.619 4.705 0 40 KJAB COc1cccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccc(C)cc2)c1 12712430 GYBZESZSQRPYDE-GDLZYMKVSA-N 513.642 4.681 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)Cc2ccccc2)cc1OC 13590213 WNHQRBMZEZXXCO-UHFFFAOYSA-N 508.518 4.552 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2cccc(Br)c2)Cc2ccc(F)cc2)cc1 20012358 PABIEMGTEWHKSU-SFHVURJKSA-N 519.436 4.965 0 40 KJAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1 22231136 CNOKDQBGGDIZTH-UHFFFAOYSA-N 507.381 4.572 0 40 KJAB COc1cc(NC(=O)COc2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)c(OC)cc1Cl 22231882 OHPUNONALFQYMI-UHFFFAOYSA-N 519.019 4.649 0 40 KJAB O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 22429995 SUUAEQDOLXPQGW-UHFFFAOYSA-N 518.422 4.954 0 40 KJAB CCOC(=O)[C@H]1CCCCN1C(=O)CSc1nc2sc3c(c2c(=O)n1[C@H](C)CC)CCCCC3 32745141 PWQDIHOOIHWTJU-SJLPKXTDSA-N 505.706 4.734 0 40 KJAB COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2S(=O)(=O)c2cccc(Cl)c2)cc1 36707992 ZJBMZTBPHKIFCV-QHCPKHFHSA-N 504.004 4.733 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1Cl 38756006 NJLUSXOIJBDNCD-UHFFFAOYSA-N 517.003 4.668 0 40 KJAB CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 70665975 XLOFIBURHKEVSM-MJSOWUPRSA-N 587.786 4.681 0 40 KJAB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)ccc1OCCC(C)C 97946241 WTCZTVBQBWXHFR-OCDQFKQQSA-N 636.767 4.802 0 40 KJAB COC(=O)c1sc(NC(=O)CN2CCN(C(=O)c3sc4cc(Cl)ccc4c3Cl)CC2)c(C(=O)OC)c1C 97948598 UUWIRENRLKQKFS-UHFFFAOYSA-N 584.503 4.548 0 40 KJAB CCOc1ccc(Cl)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)Oc1ccccc1)=C(C)N=2 97959086 ZXSPWMUXECHXNX-ASSGYOTOSA-N 531.033 4.893 0 40 KJAB COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)COC(=O)CNC(=O)c2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 97979950 JXSRPOWUFCILDD-VEEIWZRUSA-N 567.642 4.800 0 40 KJAB CC[C@@H](Sc1nc2cc(OC)c(OC)cc2c2nc(CCn3nc(C)cc3C)nn12)C(=O)Nc1cccc(OC)c1 101308135 NNNXVYRETRWXFS-RUZDIDTESA-N 575.695 4.869 0 40 KJAB Cc1ccc(CNC(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2cccc(F)c2)S3(=O)=O)cc1 102451475 YWQTWAKXSUKJGH-UHFFFAOYSA-N 534.638 4.709 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 102618881 OFKRBVCACVJFMX-VZIOXZNFSA-N 525.413 4.975 0 40 KJAB CCN(CC)c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)Nc1ccccc1OC 103049929 BUSRBEBNEXFHRD-UHFFFAOYSA-N 536.654 4.721 0 40 KJAB Cc1cc(Br)c(NC(=O)COc2ccc(/C=c3/sc4nc5ccccc5n4c3=O)cc2)cc1C 104026757 LKEZEXVHJXDQTD-YDZHTSKRSA-N 534.435 4.854 0 40 KJAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)cc3)cc2)cc1 112169740 KWAFEWCKADWCHJ-UIOOFZCWSA-N 523.541 4.710 0 40 KJAB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 140120849 ROKDCPUXYPSGCT-UHFFFAOYSA-N 571.080 4.754 0 40 KJAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1c(I)cc(I)cc1C(=O)O 150342030 FGBXTBGTODKZAB-UHFFFAOYSA-N 632.217 4.883 0 40 KJAB Fc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN([C@H](c3ccc(F)cc3)c3nnnn3Cc3cccs3)CC2)cc1 150385812 CREDWURYDHMEQU-HNRBIFIRSA-N 630.754 4.654 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(=O)c4cccc(Br)c4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 150416659 GZLGZJVGFWFNMX-QTTRZTASSA-N 633.520 4.789 0 40 KJAB O=S(=O)(c1ccc(OC[C@@H](O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1)c1ccc(OC[C@H](O)CN2CCN(C/C=C\c3ccccc3)CC2)cc1 150518741 VRRVNGGSHYFJJE-MHGGBYFBSA-N 767.005 4.661 0 40 KJAB Cc1ccc(COc2c(I)cc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)cc2I)cc1 214653350 OADOVZBAUVEYNG-UDWIEESQSA-N 704.324 4.678 0 40 KJAB CSc1ccc([C@H](C)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1 216072612 SCDMITPZMMKHQZ-SBUREZEXSA-N 533.513 4.938 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 222432466 BYDLTTARMJMSKI-IBGZPJMESA-N 548.492 4.660 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 222612715 AEEULDIFLRUTOT-RUZDIDTESA-N 606.970 4.563 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 222740979 QLYOGDXHEMEYHE-LJQANCHMSA-N 548.492 4.660 0 40 KJAB CC(C)c1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 222796448 BNYWLVQUKZDFFI-IBGZPJMESA-N 522.111 4.561 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)c(Br)c(C)c1 222835155 XOVKYBJCCUOERV-QFIPXVFZSA-N 505.453 4.785 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 222969668 NAOIOVMJMBZKTD-JOCHJYFZSA-N 572.127 4.878 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223089406 TZXPUVNWGQWPQQ-WJOKGBTCSA-N 585.726 4.667 0 40 KJAB COc1ccc(CN(C(=O)COc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1 223244013 DCGRDOPYBHJKTL-BDYUSTAISA-N 537.056 4.663 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 223299106 GIWOJBBUEYBLKT-IBGZPJMESA-N 542.529 4.710 0 40 KJAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 223472354 FSPLMFWFSBDOHA-AREMUKBSSA-N 556.128 4.748 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223575247 ALVWRFIMHOQMSD-QFIPXVFZSA-N 542.529 4.644 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223674146 QPQKSUYCAGPTDM-JIPXPUAJSA-N 604.144 4.809 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223757248 GBKLQGZNXPZQAS-HKBQPEDESA-N 645.778 4.684 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cccc(C)c2C)c2ccc(Br)cc2)cc1 223907240 YGRCNBIQZYXHEI-UHFFFAOYSA-N 531.472 4.765 0 40 KJAB 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CCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)cc1 408659726 MTDVUEABJITBCV-LJQANCHMSA-N 545.430 4.558 0 40 KJAB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](c5ccccc5)C[C@H]4C3=O)cc2)c1 408686402 NAHQBWYBEZQUAJ-NQHRYMMQSA-N 542.588 4.573 0 40 KJAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)cc1 408702803 OPKQNQQMQIOVQA-UHFFFAOYSA-N 559.735 4.661 0 40 KJAB CCOC(=O)Cn1c(C)c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)c2ccccc21 408818330 PLNZGXPCECSBMM-JESJEVRBSA-N 650.757 4.717 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5cccc(Br)c5)o4)c(=O)n32)cc1OCC 408941806 KKVRYPXXRVHLFQ-OMXAIKKXSA-N 609.498 4.838 0 40 KJAB CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cc1I 408941853 KMXXVJNKFOTXKJ-BYHQVZLYSA-N 750.780 4.678 0 40 KJAB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)c(=O)n21 408953785 PBAHWFPQEZOTRA-JFOJXTJISA-N 670.365 4.728 0 40 KJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)C2=O)cc1 408959604 BUXMHLPETKNAOG-UCQKPKSFSA-N 502.548 4.947 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C(C)C)c(OC)cc3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 409019622 VDXXLAIYZSNLIH-NFYDWNOTSA-N 555.096 4.901 0 40 KJAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cccc(OC)c3OCc3ccc(F)cc3)c2=O)=N1 409030847 FRWLPYJUKMCGGI-ABBNRAPFSA-N 558.631 4.525 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cccc(OC)c3OCc3ccc(F)cc3)c2=O)=N1 409030850 FRWLPYJUKMCGGI-CSJROMOCSA-N 558.631 4.525 0 40 KJAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(O)c(OCC)c3)C2=O)cc1 409098037 IERHSIOJQKEORL-WOJGMQOQSA-N 521.389 4.627 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(OCc4ccc5c(c4)OCO5)ccc4ccccc34)C2=O)o1 409399731 LDBNSISRQQKNTP-XKZIYDEJSA-N 526.501 4.620 0 40 KJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2Cl)cc1C 409410789 PYZPZJQSOAKFJW-UHFFFAOYSA-N 502.011 4.859 0 40 KJAB COC(=O)C[C@H](c1c(O)ccc(C(=O)c2ccc(Cl)cc2)c1O)c1cc2ccc(OC)cc2n(C)c1=O 524729779 JEGSFWYUBVAGLN-FQEVSTJZSA-N 521.953 4.538 0 40 KJAB biogenic COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2ccc(OCc3nccn3C)c(OC)c2)cc1OC 524730655 RLICPEOQCJBSLS-LJQANCHMSA-N 584.581 4.945 0 40 KJAB biogenic CC(=O)NC1CCN(C(=O)C[C@@]2(COc3cc(C)c(Cl)c(C)c3)CN(Cc3cccc(Cl)c3)CCO2)CC1 585283169 CVCSXMNYOBMDNN-LJAQVGFWSA-N 562.538 4.777 0 40 KJAB CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]([C@@H]2c3ccccc3CN(C(=O)OC(C)(C)C)[C@@H]2C(=O)O)[C@H]1C(=O)O 601014290 DCGTZJZLZKKPEH-KIHHCIJBSA-N 552.624 4.962 0 40 KJAB CN(CCC[C@H]1C(=O)N(C)CCCCC2(CCN(C(=O)OC(C)(C)C)CC2)COc2ccccc2C(=O)N1C)C(=O)CCc1cnn(C)c1 618017451 LAMMDDZUXPXQAT-PMERELPUSA-N 680.891 4.771 0 40 KJAB COc1ccc(S(=O)(=O)NC(=O)c2ccc3c(c2)CN(CC(C)C)CCCCCCCN3C(C)=O)cc1 643575218 LEEWYSZZERUOGR-UHFFFAOYSA-N 529.703 4.589 0 40 KJAB O=C(CCn1ccnc1)N1CCC2(CCCCc3ccccc3OCCN(Cc3ccccn3)C2)CC1 643588315 CWFSQVSEUIOQHB-UHFFFAOYSA-N 501.675 4.585 0 40 KJAB CC[C@@]1(O)C[C]2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C[C@H](C2)C1 1560410119 PSNFBUVFYZMRNP-HKLXXGKMSA-N 822.976 4.960 0 40 KJAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1 922766 LQXXKSKCMJWLCL-UHFFFAOYSA-N 514.644 4.515 0 40 KJAB COc1ccc(CCN(Cc2cc3cccc(C)c3[nH]c2=O)Cc2nnnn2C2CCCCC2)cc1OC 926329 XFAZDIVUGFATNG-UHFFFAOYSA-N 516.646 4.590 0 40 KJAB COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1 931969 VMHCNYJULULNTH-GDLZYMKVSA-N 523.568 4.670 0 40 KJAB COc1ccc(NC(=O)CSc2nc(-c3ccncc3)nn2[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1 1225100 CILNNJMWHYMZDG-IBGZPJMESA-N 516.627 4.896 0 40 KJAB COc1ccc(Cn2nnnc2CN(Cc2ccc(C)cc2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 1373445 OGYOOLGHDAKTNJ-UHFFFAOYSA-N 508.626 4.699 0 40 KJAB CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 1374988 GJVTWAYIWGIJHD-SANMLTNESA-N 582.661 4.657 0 40 KJAB COc1ccc(OC)c(NC(=O)c2cnn3c2N[C@H](c2ccc(OC)c(OC)c2)C[C@@H]3C(F)(F)F)c1 3012547 VYVPTQQBYBPDFM-HRAATJIYSA-N 506.481 4.830 0 40 KJAB O=S(=O)(NNc1ncc(C(F)(F)F)cc1Cl)c1cccn1-c1ncc(C(F)(F)F)cc1Cl 3128167 FFVRBMRMQGOQTJ-UHFFFAOYSA-N 520.242 4.917 0 40 KJAB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc12 3226758 CXRBUCCOMFCCNR-UHFFFAOYSA-N 536.013 4.642 0 40 KJAB CCOC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(OC)c(OC)c2)cc1 6599828 GVGKUBVPIQHACC-HKBQPEDESA-N 599.688 4.849 0 40 KJAB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4cc(Cl)ccc4OC)cc3)CC2)c1 8903400 XICQHJVORGKMBO-UHFFFAOYSA-N 509.990 4.581 0 40 KJAB CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3ccc(C)cc3)C2)cc1 9380802 DXYXMGQYNBMPRO-XMMPIXPASA-N 518.060 4.950 0 40 KJAB CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3cccs3)C2)c1 9381022 GAQZZPGKZUSIRJ-HXUWFJFHSA-N 510.062 4.703 0 40 KJAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 12530423 FMGCHSVAWFYMJQ-UHFFFAOYSA-N 507.443 4.974 0 40 KJAB CCCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 19856342 NVIWGPAFFOXFLV-UHFFFAOYSA-N 507.656 4.976 0 40 KJAB CCOc1ccc([C@H](C)NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)cc1 20039469 LFVVZEQNCFMSFW-SFHVURJKSA-N 503.020 4.820 0 40 KJAB COc1ccccc1N(CC(=O)NCCSCc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 20061125 ADHUMVNZAVDWTP-UHFFFAOYSA-N 519.088 4.902 0 40 KJAB Cc1ccc(CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)N4CCN(c5ccccc5)CC4)C(=O)N23)cc1 20182488 XSWFZIAZCGBOQL-SANMLTNESA-N 523.662 4.626 0 40 KJAB CC[C@H](NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)cc1 20461712 SSAKEYVGFGVHAZ-VWLOTQADSA-N 526.655 4.792 0 40 KJAB Cc1ccccc1NC(=O)CSc1ncc2c(n1)-c1ccccc1N(Cc1ccccc1)S2(=O)=O 20982385 LFXPNKLVDUUZEG-UHFFFAOYSA-N 502.621 4.892 0 40 KJAB CCOc1ccc(C(=O)N(Cc2ccc(OCC(N)=O)c(OC)c2)C2CCCCC2)cc1Br 22843871 VPSRUTDWDLQXSK-UHFFFAOYSA-N 519.436 4.696 0 40 KJAB CCOC(=O)C1=C(CSc2nnc(Nc3cccc(Cl)c3C)s2)NC(=O)N[C@@H]1c1ccco1 24032701 XYJOXPWCXVTISJ-QGZVFWFLSA-N 506.009 4.800 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)S(=O)(=O)c2ccccc2)cc1OC 59884226 NESLQEDGVAHLOO-UHFFFAOYSA-N 609.726 4.955 0 40 KJAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCCC(=O)N[C@@H](CSCc4ccccc4)C(=O)O)c(C)c3cc2c1C 97957020 WGLCYHSXKFLYDV-VWLOTQADSA-N 578.687 4.715 0 40 KJAB Cc1oc2cc3oc(=O)c(CC(=O)NCC(=O)N[C@H](CSCc4ccccc4)C(=O)O)c(C)c3cc2c1-c1ccccc1 97957076 XQMDCANVOAXCDC-AREMUKBSSA-N 598.677 4.985 0 40 KJAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(NC(=S)NC(=O)c2ccccc2)ccc1OC(F)F 97984528 BTIHRWMFKXUGKJ-UHFFFAOYSA-N 573.618 4.776 0 40 KJAB COc1ccc(CCNc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccccc23)cc1OC 97987025 KXALVGXVHRTHMR-UHFFFAOYSA-N 568.453 4.545 0 40 KJAB CNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)c1 101812035 NLCLOGJCKHZCIR-FQEVSTJZSA-N 526.920 4.804 0 40 KJAB COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1 102777942 OKOGBDPGQIWSPE-SANMLTNESA-N 590.057 4.995 0 40 KJAB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@@H]3C2=O)cc1 102888611 DBDWNCIYSTXCGQ-AWCRTANDSA-N 550.567 4.974 0 40 KJAB COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)OC)ccc1Cl)oc1ccccc12 102899360 OZNFEHDIVXVQOB-AWEZNQCLSA-N 546.985 4.614 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OC)c(I)c3)c(=O)n2[C@H]1c1ccccc1 103752777 HNEQKEPCVZCXIR-QAHUDSGCSA-N 622.484 4.549 0 40 KJAB Cc1ccc([C@H](C)NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(C)c1 215974098 ASZWORQRDIPYQR-IBGZPJMESA-N 548.446 4.981 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 222526627 XLGLLOZLAIHSIH-NRFANRHFSA-N 548.920 4.745 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 222541068 RCAYEKXHOHXXEC-OAQYLSRUSA-N 542.101 4.822 0 40 KJAB CC(C)Sc1nnc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)s1 222831322 DZNMEVWPKFHSSY-UHFFFAOYSA-N 527.491 4.635 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 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O=C(O)c1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c1 4157065 ZWDICMWSETVOKV-KVEMZPMDSA-N 553.206 4.795 0 40 KJAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2)cc1 5946758 XHSKZAONUJJXBS-UHFFFAOYSA-N 516.667 4.873 0 40 KJAB CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(Cl)cc2)cc1 6822150 AJTNIUJOUHXBPJ-XMMPIXPASA-N 548.068 4.745 0 40 KJAB O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccc(F)c4)n3)CO[C@H]12 8297389 AUQGZOPDSLWTSW-GWMMUDDPSA-N 527.556 4.843 0 40 KJAB biogenic,in-vitro Cc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2cccc(Cl)c2)cc1 11917617 NNQVXTSSCMICEB-UHFFFAOYSA-N 511.003 4.894 0 40 KJAB COc1ccc(C)cc1N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@@H](CC(C)C)C(=O)NC(C)(C)C 12476739 YIOSQCSIQNKABV-QFIPXVFZSA-N 527.069 4.673 0 40 KJAB CCOc1ccc([C@H](C(=O)NC(C)(C)CC)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1 13024434 YCJTWZFOFVNBSW-AREMUKBSSA-N 519.671 4.966 0 40 KJAB COc1cccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2cccc(C(C)=O)c2)c1 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NC(=O)c1c(NC(=O)CCCCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)sc2c1CCCCC2 20160680 SMAORGFZRZYURZ-UHFFFAOYSA-N 530.716 4.683 0 40 KJAB CCOc1ccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1OC 20454550 JZZMZGLGLRGNNK-UHFFFAOYSA-N 503.020 4.911 0 40 KJAB COc1cccc(-c2nc(COC(=O)c3nnn(-c4ccc(Br)cc4)c3C)c(C)o2)c1OC 45900400 OKKUSKSJMNDZTQ-UHFFFAOYSA-N 513.348 4.676 0 40 KJAB COc1cc(OC)cc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cc(OC)c(OC)c(OC)c2)c1 100358355 BNRUHUOLASVZBG-AREMUKBSSA-N 538.597 4.770 0 40 KJAB CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3cccc(OC)c3)C2)cc1 101694765 QZTARDYXDWIKGX-XMMPIXPASA-N 534.059 4.650 0 40 KJAB CCCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1 102767972 LMTASRWXQJSKHM-CERRFVOPSA-N 532.593 4.942 0 40 KJAB O=C(Nc1ccccc1C(=O)O)C(=O)[C@@H](C(=O)c1ccccc1-c1ccccc1)[C@H]1OC(=O)c2ccccc21 103010058 LAHGJCLPEBQCAA-NAKRPHOHSA-N 519.509 4.970 0 40 KJAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)ccc1C 103012667 TTYBFIWDNFSXIA-UHFFFAOYSA-N 577.684 4.808 0 40 KJAB O=c1/c(=C\c2cc3c(cc2Br)OCO3)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 104659642 MYKHRUHXFSLMTH-LNXFQTKESA-N 543.442 4.810 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)c(=O)cc1[C@@H](NC(C)=O)CC2 108448142 JXUCBKUMVAOMPL-FIJFLNKYSA-N 621.800 4.725 0 40 KJAB biogenic COc1ccccc1NC(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)NCc2ccc4c(c2)OCO4)cc1)OCO3 150444339 RWLPZYQPYZZNGO-UHFFFAOYSA-N 652.685 4.572 0 40 KJAB O=c1/c(=C/c2ccccc2O)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 167081427 JFGVBMJOQUHPLE-GJFKPFFXSA-N 515.432 4.787 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3ccnc3)cc2)c2cc(Cl)cc(Cl)c2)cc1 215959017 NVZVPZACYWGGLX-UHFFFAOYSA-N 529.449 4.999 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 222464426 MDCFLBPEFGXCQF-MHZLTWQESA-N 581.735 4.540 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 222468486 CLAGVRADOIUEGG-XMMPIXPASA-N 582.937 4.799 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 223016419 JTMCJNYGMLHUBY-GOSISDBHSA-N 562.054 4.767 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(Br)cc1Cl 223021379 UANKRQKRXNNSJP-ZDUSSCGKSA-N 532.660 4.797 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NC(C)(C)C)c2ccccc2)cc1 223074631 NPOPBXPUCUOADR-QHCPKHFHSA-N 581.735 4.621 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 223203085 PDQJXENCEDAXQD-XMMPIXPASA-N 546.064 4.536 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 223217558 KZZUJWOXKGZYRU-GDLZYMKVSA-N 549.737 4.626 0 40 KJAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C(=O)NCc2cccnc2)c2ccccc2)cc1OC 223323469 DXIVNJGBZRLJRF-SSEXGKCCSA-N 509.606 4.728 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 223361535 NVPMRYXXOHWIOO-FREGXXQWSA-N 563.764 4.951 0 40 KJAB 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CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(OC)c3O)c(=O)n2[C@H]1c1ccc(F)cc1 408786823 WHBHKYWWPSTRIS-GLSAMTQTSA-N 609.473 4.551 0 40 KJAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 408920973 ABFCKTHWFKEHFV-UHFFFAOYSA-N 514.412 4.553 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccc(I)c4)c(=O)n32)cc1 408942493 GAWQSUSJZSLIBV-ASSGYOTOSA-N 621.500 4.877 0 40 KJAB COc1ccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc1 408953957 QZIITDGIKVQADX-MOSHPQCFSA-N 512.385 4.923 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(OC)c(OC)c4)c(=O)n32)c(OC)c1 408978850 NPKONZXGJCLGNF-SUAMDDGLSA-N 650.551 4.671 0 40 KJAB Cc1cccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1C 409003101 DIKSZNPEIKDVBQ-UHFFFAOYSA-N 501.446 4.938 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cc(I)c(OC)c(OC)c3)c2=O)=N1 409048805 XHYCJLDBMOFJNW-JGTYQCAFSA-N 727.415 4.971 0 40 KJAB O=C(O)c1ccc(COc2ccc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)cc2I)cc1 409094620 DXDAMVLSZGNGHY-CIAFOILYSA-N 572.330 4.800 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(F)F)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 409152249 AOYWBJVNWTVCKZ-HCWVEKLQSA-N 576.621 4.936 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc(Cl)c1OC 409165723 BECSKLCRIBNWOU-SXGWCWSVSA-N 511.781 4.795 0 40 KJAB O=C(CN1C(=O)N/C(=C/c2ccc(OCc3ccccc3F)c(I)c2)C1=O)Nc1ccccc1F 409201509 NXPFIRAPYYREGO-CIAFOILYSA-N 589.336 4.680 0 40 KJAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(O[C@@H](C)CC)c(Br)c2)C1=O 409249518 UNKZZMLDVGRFAG-NPRIEWAGSA-N 500.393 4.720 0 40 KJAB CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)N1CCN(c2ccccc2)CC1 409354403 DXANIHBRTWQOEZ-UHFFFAOYSA-N 501.656 4.780 0 40 KJAB CCOc1cc([C@@H]2CC(=O)N=C3N=CNN32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 409380291 BGOKRIFUHQEBLB-INIZCTEOSA-N 512.191 4.910 0 40 KJAB CC(C)C(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2CN(c3ncc(C(=O)O)c(COc4ccc(F)cc4)n3)CC[C@H]21 409412945 GXWPWKDMTQJCGM-RMTZWNOUSA-N 536.579 4.509 0 40 KJAB CCC(=O)N1CCCN(C(C)C)CCCN(C(=O)Cc2ccc3c(c2)OCO3)Cc2cc(F)c(F)cc21 1615193302 VPRGQOZRCMYNNH-UHFFFAOYSA-N 515.601 4.512 0 40 KJAB O=C(COCC(=O)OCCOCC(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)OCCOCC(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 2060990632 MGILOKKWULCFGZ-UHFFFAOYSA-N 778.719 4.881 0 40 KJAB Cc1ccc([C@H](C(=O)NCc2ccc(F)cc2)N(C(=O)Cn2nnc(-c3ccccc3F)n2)c2ccccc2)o1 888063 HNJXQEWJHODDLK-HHHXNRCGSA-N 542.546 4.611 0 40 KJAB COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)CC(=O)N21 2108892 PWIRWGZAVSMDEC-FREGXXQWSA-N 504.590 4.585 0 40 KJAB biogenic CC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc2)c1 3244116 FRDCNWZKIGTELG-AREMUKBSSA-N 520.607 4.601 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc3oc(SCC(=O)NC45CC6CC(CC(C6)C4)C5)nc3c2)cc1 5941078 NSZNINURCFQDNH-UHFFFAOYSA-N 527.668 4.814 0 40 KJAB COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c2ccccc2)cc1 6075015 YKIQTSOUDKJESE-VWLOTQADSA-N 533.032 4.691 0 40 KJAB Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)c2ccc(C)c(I)c2)cc1I 8400362 ZWCGBBXDIKXGRY-PMACEKPBSA-N 602.254 4.984 0 40 KJAB COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(Cc4ccccc4Cl)c3=O)cc2)cc1OC 8593526 REIHHXZNRUXBQH-UHFFFAOYSA-N 584.072 4.903 0 40 KJAB biogenic COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)n2)c(OC)c1 8830345 KUMKPRVWAWJUBI-UHFFFAOYSA-N 535.647 4.827 0 40 KJAB CCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cc(Br)ccc3OC)cc2Cl)CC1 8901695 PPTHLIQXCXEIEW-RUDMXATFSA-N 506.828 4.822 0 40 KJAB O=C1C[C@@H](N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 9088244 MJWZEVSPMGXXMN-RUZDIDTESA-N 519.439 4.729 0 40 KJAB COc1ccc(C(=O)Oc2c(S(=O)(=O)c3ccccc3)c(C)nn2-c2ccc(C)cc2C)c(OC)c1 9559103 YAMXJPVQUPINJW-UHFFFAOYSA-N 506.580 4.867 0 40 KJAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 12599877 ZNOZRBQSNKHIQU-OAQYLSRUSA-N 508.983 4.674 0 40 KJAB CCc1cccc2c(C(=O)COC(=O)c3ccc(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)c[nH]c12 13098709 OITAPZCODNSMJI-UHFFFAOYSA-N 504.514 4.935 0 40 KJAB COc1ccc([C@@H]2CC(c3cn(-c4ccccc4)nc3-c3cccc(OC)c3)=NN2S(C)(=O)=O)cc1 13126294 ALVNUZNOICHPOA-SANMLTNESA-N 502.596 4.667 0 40 KJAB COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(OC)c(OC)c2)cc1OC 16742113 BRVSKXDXFWZFRW-SANMLTNESA-N 519.525 4.754 0 40 KJAB C[C@H](NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2cccc(Br)c2)cc1)c1ccccc1 20019189 VYEGFLIENNWVRF-MSOLQXFVSA-N 517.445 4.745 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1cccc(CN2CCOCC2)c1 38755545 ZFDUQOQEVIJDFV-UHFFFAOYSA-N 501.608 4.725 0 40 KJAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)Oc2ccccc21 38756179 LXLXJAPGFOBWCQ-VWLOTQADSA-N 521.639 4.792 0 40 KJAB COc1ccc(-c2noc(-c3c(SC)nn(CC(=O)Nc4ccc(C)cc4Cl)c3N)n2)cc1OC 46914844 MLMFEXOKJJRSIL-UHFFFAOYSA-N 514.995 4.522 0 40 KJAB CC[C@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1 59923140 CXBJETGGLUBPCD-NRFANRHFSA-N 533.046 4.829 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)c(=O)n2[C@H]1c1ccccc1Cl 100217259 KUMLNZSIYADDCV-PNZYDNNZSA-N 563.031 4.718 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 100263688 WDKQMFMJBQXXTM-BFOKUZPWSA-N 606.656 4.902 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc(-c3cccs3)n2)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1 100329791 JYRZAFJJLHLCNA-VWLOTQADSA-N 550.710 4.691 0 40 KJAB COc1cccc([C@@H](C(=O)NCCC(C)C)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)c1OC 100367133 XOOSHNCFNVDOEZ-NDEPHWFRSA-N 547.631 4.520 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C[C@H]([C@H]5Sc6[nH]c(=O)sc6[C@@H](c6ccc(Cl)cc6)[C@H]45)[C@@H]3C2=O)cc1 100849261 YUCLXAXGOLLGEG-NTNVJIBLSA-N 567.088 4.944 0 40 KJAB COc1ccc(Br)cc1CN(C)C(=O)[C@@H]1CS[C@@]2(c3ccc(Br)cc3)CCC(=O)N12 103047529 ZQYJLWKSDHZZNS-PGRDOPGGSA-N 554.304 4.769 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cn(CC)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 103789093 UTZDNDGDVKUZTE-WLJFKGHSSA-N 559.997 4.969 0 40 KJAB CCOc1cc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)cc(OCC)c1OCC 104148541 WKUFJJKFDCNSDB-UHFFFAOYSA-N 577.147 4.968 0 40 KJAB CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(I)ccc3Cl)cc2)CC1 105351556 BQUJSQLTPUSNNG-UHFFFAOYSA-N 584.911 4.766 0 40 KJAB O=C(NCCc1cccc(Cl)c1)/C(=C/c1ccc(SC(=S)N2CCOCC2)o1)NC(=O)c1ccccc1 113562694 DXJHWUNVPVMIPX-NKFKGCMQSA-N 556.109 4.772 0 40 KJAB CCCC[C@@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@@H]1C/C=C\CCCCC(=O)NCCCCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]21 150339741 SMXHHOPMXGFCLA-UKQSLCIKSA-N 676.965 4.685 0 40 KJAB in-vitro Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c2ccc(Cl)cc2)cc1 216004207 OZQHRWLPIZUSEF-UHFFFAOYSA-N 600.122 4.690 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1OC 216428489 UXXWUYCKRMKBCJ-UHFFFAOYSA-N 523.438 4.865 0 40 KJAB C[C@H](C(=O)NCCc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 222711602 KVKTUMFYBRKKHN-XMMPIXPASA-N 589.689 4.782 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 222814693 HYKCJLXVTRIIMQ-NDEPHWFRSA-N 611.761 4.548 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccccc1 222952246 WXZUNDNQAMEGKQ-DEOSSOPVSA-N 535.710 4.778 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 223046090 LSAOFINYGKOBKF-NRFANRHFSA-N 602.551 4.515 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 223306731 RBPQXBZPYOZQRR-FUFSCUOVSA-N 567.727 4.927 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 223402113 LFYHTAYUYMVPHE-MHZLTWQESA-N 586.154 4.671 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 223433064 KTYIJLSXLRQLHY-VWLOTQADSA-N 565.736 4.841 0 40 KJAB O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 223469181 GYCSNPJDNFLNKL-HNNXBMFYSA-N 509.377 4.870 0 40 KJAB CCc1ccc(OCCNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1 223535754 NGHGQUUENQSFLY-UHFFFAOYSA-N 507.439 4.946 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 223694374 DKWBOQOYHSQBOF-JOCHJYFZSA-N 572.127 4.796 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 223847254 OAVGMICBILGKOC-QHCPKHFHSA-N 539.673 4.581 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224029824 WVKQNCGFZBKMNT-HNNXBMFYSA-N 548.920 4.745 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 224060593 MSBTZXXRLZKPDH-DEOSSOPVSA-N 593.746 4.684 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 224150386 BWSUVHUQTHAGPA-SANMLTNESA-N 549.737 4.997 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224292820 LBGVRTYLAZYMET-RUZDIDTESA-N 546.064 4.618 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224302408 DPLYRSKFIJYSGV-SFHVURJKSA-N 560.519 4.868 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224365632 GHTAUOFSNPMZMI-MUUNZHRXSA-N 571.690 4.677 0 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CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 225111613 GECXFTQJZVVVMQ-SANMLTNESA-N 548.149 4.979 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)S(=O)(=O)c2ccc(C)cc2)c1 225137536 USSFJNQFQRBGKQ-UHFFFAOYSA-N 555.678 4.804 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225180253 RUMWWDTXVVXPFS-HHHXNRCGSA-N 581.735 4.541 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 225198014 AHKOOCOPIFQSBR-HHHXNRCGSA-N 572.127 4.878 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 225281094 UJOYRKQFAGQZTB-GDLZYMKVSA-N 567.727 4.928 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 225351649 DNIXPLWNJKSXFQ-SSEXGKCCSA-N 563.764 4.934 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 225397468 ZWMYKSFWDFSKTO-NDEPHWFRSA-N 595.762 4.931 0 40 KJAB 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Cc1ccc(Oc2cccc(F)c2OC[C@@H](C)NC(=O)[C@@H]2CC(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3COc3ccccc3C(=O)N2)cc1 643551252 YAMJXYBQGBSEPO-FETBLLDOSA-N 674.770 4.523 0 40 KJAB CS(=O)(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)Cc2cc(Cl)c3c(c2)OCCCO3)Cc2ccccc21 643553585 ADYYPSQYMMHMCY-UHFFFAOYSA-N 598.165 4.745 0 40 KJAB Cc1nc(=O)c2c(C)c(C(=O)N3CCC4(CCCCOC[C@@H]5CCCN5C(=O)c5ccccc5OC4)CC3)sc2[nH]1 643563979 QGFXPZXKOPZIDV-QFIPXVFZSA-N 578.735 4.708 0 40 KJAB CC(=O)N1CCCN(CC(C)C)CCN(C(=O)C2CN(Cc3ccc(Cl)cc3)C2)Cc2ccccc21 643566869 YKKHCPKWJXXAEN-UHFFFAOYSA-N 511.110 4.515 0 40 KJAB COc1cc2cc(CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2cc1OC 919035 WJWUGIZPRZPPJX-UHFFFAOYSA-N 513.015 4.632 0 40 KJAB CCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3cccc([C@H]4OCC(C)(C)[C@@H](C(C)C)O4)c3)ccc21 1080146 HAGXBWLRTMMNHR-RPWUZVMVSA-N 501.649 4.740 0 40 KJAB COc1cc(COc2ccc3c(C)c(CC(=O)N4CC[C@]5(O)CCCC[C@@H]5C4)c(=O)oc3c2C)cc(OC)c1OC 2108499 GKONWEVJMOMYAD-APYJYERMSA-N 565.663 4.711 0 40 KJAB biogenic Cc1c(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO2)c(=O)n(-c2ccccc2)n1C 3272622 XCGPMADOSCIOMU-GCJKJVERSA-N 553.088 4.695 0 40 KJAB CCOC(=O)c1c(NC(=O)COC(=O)CNC(=O)c2sc3ccccc3c2Cl)sc2c1CCCC2 3304197 KADWZYYZNKKYHD-UHFFFAOYSA-N 535.043 4.583 0 40 KJAB O=C(COC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1)c1ccc(Br)cc1 4112949 PLLPUIDLRRKFRC-UHFFFAOYSA-N 505.324 4.583 0 40 KJAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 5460443 AAKFOLFNORPNSI-KYJUHHDHSA-N 623.666 4.678 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2CCc2ccc(OC)cc2)cc1 8773778 WBWPSFCFFXZDSP-SANMLTNESA-N 529.593 4.589 0 40 KJAB CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OC)cc(OC)c3)o2)cc1 9412846 CBOBPACCQCURLC-UHFFFAOYSA-N 516.620 4.597 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)[C@@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 13495338 XAYMTRKGNZONCL-MHZLTWQESA-N 527.604 4.649 0 40 KJAB CCOc1ccc(N2C[C@@H](C(=O)Nc3cc(OC)c(Br)cc3Br)CC2=O)cc1 15013964 NZHBOEJZJIWKIY-LBPRGKRZSA-N 512.198 4.611 0 40 KJAB CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2ccc(F)cc2s1 17287613 KKLKDPHZUDAUCI-UHFFFAOYSA-N 532.707 4.989 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N[C@@H](C)c1ccc(Br)cc1)c1ccccc1 20014150 ODYPLMRXPLAHPD-SFHVURJKSA-N 517.445 4.839 0 40 KJAB O=C(NCCSCc1c(F)cccc1Cl)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20040728 JWNQYJMUJNYYII-HXUWFJFHSA-N 513.100 4.503 0 40 KJAB CCOc1ccc(N(CC(=O)N(C)Cc2ccccc2OC)S(=O)(=O)c2ccc(SC)cc2)cc1 22512719 VHLIVSWRHXRAQF-UHFFFAOYSA-N 514.669 4.670 0 40 KJAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3N3CCN(S(C)(=O)=O)CC3)o2)cc1Cl 22821453 ZZESHBNBXPNNMK-ZRDIBKRKSA-N 500.020 4.642 0 40 KJAB CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(Br)cc1 27017112 OMOJAWGRXBNALN-NRFANRHFSA-N 508.372 4.844 0 40 KJAB Cc1cc(Cl)c2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN21 35374577 NMHQKIDTOFABHM-JMBFNUQRSA-N 515.972 4.802 0 40 KJAB CCc1ccccc1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl 59671361 WTEZVVRRQIZTBC-MJGOQNOKSA-N 532.009 4.635 0 40 KJAB Cc1[nH]nc2c1[C@@H](c1cnn(C)c1)c1c(ncn3nc(-c4ccc(COc5ccc6c(c5)CCC6)cc4)nc13)O2 97945521 FTCWGJNNTAVVQX-RUZDIDTESA-N 530.592 4.910 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)Cc4c(Cl)cccc4Cl)C3)cc2)cc1 100095898 JRLHIQJBVLCPQM-SFHVURJKSA-N 612.557 4.983 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=C2/N=C(c3ccc(C)c(I)c3)OC2=O)cc1OC 100150500 QLYKUGTXHOFRGG-CAOOACKPSA-N 600.203 4.657 0 40 KJAB COc1ccc(OC)c(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccc(F)cc2)c1 100353264 MUSCFNOODQRWOY-NDEPHWFRSA-N 533.604 4.524 0 40 KJAB COc1cc([C@H](Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)C(=O)NC2CCCCC2)cc(OC)c1OC 100353985 SMRNIUPMCVYCRX-MHZLTWQESA-N 559.729 4.735 0 40 KJAB CCOc1ccccc1[C@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 100363232 GPRCYVJLECIZMA-WJOKGBTCSA-N 533.632 4.917 0 40 KJAB Cc1ccc(S[C@@]2(CN3CCOCC3)COc3c(Br)cc(Br)cc3[C@H]2O)cc1 100954840 HSCDDZQBOFWQRM-RTWAWAEBSA-N 529.294 4.809 0 40 KJAB COc1ccc(OCC(=O)N[C@H](NC(=S)Nc2ccccc2N2C(=O)c3ccccc3C2=O)C(Cl)(Cl)Cl)cc1 101219554 OFHIFQQPSZMGPA-XMMPIXPASA-N 607.903 4.674 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OC)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 103518519 GMABGIJCTYMLPM-XSZPGNIMSA-N 571.095 4.646 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@]3(C(=O)Nc4c(Cl)cc(C)cc43)N3CCC[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC 103530987 XEXABDNAKDLJKS-IBDHLNCTSA-N 558.034 4.680 0 40 KJAB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1cccc(I)c1 105317901 WIRADFQZMAMNMZ-UHFFFAOYSA-N 594.862 4.627 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCC)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 109896555 ZBIPYMVRXTWGPA-RISWYLRJSA-N 615.546 4.755 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(CC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)[C@H](Cc2ccccc2)C(=O)OC)sc2c1CCC2 150483121 SCTFXWYCSCAGKA-HSZRJFAPSA-N 681.833 4.804 0 40 KJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)ccc2Cl)c1 215935479 VQGHHFCQMQDFBM-UHFFFAOYSA-N 572.068 4.601 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(I)cc1 222686002 LEDWTZNBEZEELP-QHCPKHFHSA-N 607.286 4.819 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 222758179 XCKUDFKVWZLWBJ-DEOSSOPVSA-N 582.937 4.799 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 222928724 LEAIYBZCRUBBBZ-JOCHJYFZSA-N 548.492 4.742 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 222989147 ZKYDTUAWZYVTHB-NRFANRHFSA-N 572.525 4.506 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](Cc2ccccc2)C(=O)NCCC(C)C)cc1 223236534 KLYPNTDAJGPDFP-HKBQPEDESA-N 593.790 4.728 0 40 KJAB CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223372453 LUVPSHPZCJERHF-WJOKGBTCSA-N 628.191 4.816 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223482011 OCBRPESGALZPDG-HHHXNRCGSA-N 604.144 4.810 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Br)cc1Cl 223503800 MXICHDMSKUIBAC-MRXNPFEDSA-N 511.844 4.824 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 223576102 BLYSSNFCLBPGCA-QFIPXVFZSA-N 542.101 4.706 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C)c(C)c2)c2cccc(Cl)c2C)cc1 223605559 AUXNNTQNUQTOBI-UHFFFAOYSA-N 501.048 4.964 0 40 KJAB CC(C)(Cc1ccccc1)NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 223608128 VSPIIKAVLPWJOH-UHFFFAOYSA-N 548.446 4.624 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223624790 BSLVWOJMTZEPGC-DEOSSOPVSA-N 585.689 4.982 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223670822 YHQJTHMXCOKHKX-SANMLTNESA-N 634.582 4.697 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 223914722 XFOAODRMICALPT-MRXNPFEDSA-N 605.382 4.998 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 223950863 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CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(I)cc1 224625892 XPDRYBMNEFTDGI-JOCHJYFZSA-N 522.427 4.558 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(CN3CCCCC3)c2)c2ccccc2C)cc1 224650515 XETXIUBFKLGNFB-UHFFFAOYSA-N 505.684 4.801 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)c2cc(C)ccc2C)cc1 224650977 MWOMVSXBAMHQTD-DEOSSOPVSA-N 553.700 4.888 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)C)c2ccccc2OC)cc1 224720781 HNWWGFSMLLULCO-NRFANRHFSA-N 632.577 4.604 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 224731317 JIFIYFZCARLRRR-SFHVURJKSA-N 572.953 4.591 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224828936 PCOOEUSXOVDRPB-LJAQVGFWSA-N 549.737 4.543 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 224871054 UHIITASALKIOKW-GOSISDBHSA-N 580.534 4.784 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 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602.153 4.886 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 225423156 DDAKHOQYQOTCOQ-MUUNZHRXSA-N 628.191 4.824 0 40 KJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)O)c3)o2)cc1NS(C)(=O)=O 225490987 LCNMGOXSCZCURE-RPBOFIJWSA-N 564.645 4.597 0 40 KJAB COc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3Cc3ccc4c(c3)OCO4)n2)cc1OC 225535984 XBHKRNORSCYONC-UHFFFAOYSA-N 530.562 4.533 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 225552261 YOLNMVZMTHKWAK-NBGIEHNGSA-N 537.673 4.542 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225631436 YAQALSPDEASXMZ-GDLZYMKVSA-N 636.170 4.939 0 40 KJAB Fc1ccc(C2(CNC(=S)Nc3nc(Sc4ncccn4)cc(Sc4ncccn4)n3)CCOCC2)cc1 226001733 PZHIMVMPCNORIL-UHFFFAOYSA-N 566.713 4.533 0 40 KJAB O=C(OCc1ccccc1)N1C[C@@H](O)[C@H](N(Cc2ccccc2)Cc2cc(Br)ccc2F)C1 257266841 METYQVUPELSWFS-JWQCQUIFSA-N 513.407 4.972 0 40 KJAB 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COc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(C)c(C)c3)cc3cc(Br)ccc32)cc1 408576875 ORQHWFCVVDEROI-UHFFFAOYSA-N 535.398 4.990 0 40 KJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)ccc2Cl)c(C)c1 408617215 ISXHQHSKPQTULD-HXUWFJFHSA-N 542.057 4.919 0 40 KJAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@@H]4CC(=O)N(c5cccc(Cl)c5Cl)C4)c3)C(=O)[C@@H]21 408672972 VVXAIMQZIZFCJJ-CZFFTMAUSA-N 513.377 4.654 0 40 KJAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(=O)OCC(=O)Nc4cc(Cl)c(Br)cc4C)c3)C(=O)[C@@H]12 408686433 NCQHGAAYBLWUCE-LSQVQBOPSA-N 557.828 4.908 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1cc(Cl)cc(Cl)c1 408710976 DJTVLWRWZKRDBM-UHFFFAOYSA-N 537.421 4.916 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC 408916161 VIPJDOBMUPLRLZ-CUJRCQHQSA-N 768.626 4.889 0 40 KJAB COC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1Br 408932217 BPBRFRFBWHORCE-MFOYZWKCSA-N 553.818 4.638 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1[C@H](C)NC(=O)c1cccc(C)c1 409124200 AHCUHTOCFYSWCM-INIZCTEOSA-N 516.465 4.899 0 40 KJAB CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccccn3)c(OC)c2)C1=O 409194361 KJWIMEBBUGRUCS-XDHOZWIPSA-N 535.416 4.811 0 40 KJAB Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]12 409334945 MRNZTJLBPYLUHO-VCVMUTABSA-N 507.542 4.862 0 40 KJAB COc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2c(C)cc(I)cc2C)n1C 409341139 CYRLYNKDGFNRPD-UHFFFAOYSA-N 552.438 4.663 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3N(C)S(=O)(=O)c3ccccc3)cc2)c1 409352714 YRUNODATURBRPA-UHFFFAOYSA-N 581.672 4.582 0 40 KJAB C[Sn](C)(C)c1cc(F)c(-c2sc([Sn](C)(C)C)cc2F)s1 644158479 LHSHSFDCEZYLMZ-UHFFFAOYSA-N 527.866 4.845 0 40 KJAB CCCc1cc(C(=O)N2CCC[C@]3(C[C@@H](O)[C@H](c4ccccc4)N(Cc4cccc(F)c4)C3=O)C2)on1 2037873397 GXXJXRKPLJUEEV-AZIXZEHSSA-N 505.590 4.523 0 40 KJAB COc1cc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2cnccn2)c2ccc(C)c(C)c2)cc(OC)c1OC 920777 CWIPXGYKQOECLG-HHHXNRCGSA-N 532.641 4.956 0 40 KJAB CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccccc2)c2ccccc2C)cc1 1372547 GMZXGZZXJIZRPO-HKBQPEDESA-N 546.631 4.789 0 40 KJAB CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O 1374435 OBAYEQYQUBHGFR-RUZDIDTESA-N 500.628 4.787 0 40 KJAB CN(C)c1ccc(NC(=O)c2sc(SCC(=O)Nc3ccc(Br)cc3)nc2N)cc1 1857537 TXXLUFIXKKNSKM-UHFFFAOYSA-N 506.451 4.537 0 40 KJAB O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)Nc1cc(Cl)ccc1Cl 3233457 OAEODUMMELYEQN-UHFFFAOYSA-N 515.321 4.868 0 40 KJAB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1cc(I)ccc1Cl 4109712 FDXGNRSYFULMMZ-UHFFFAOYSA-N 594.862 4.627 0 40 KJAB Nc1ncnc2c1ncn2C[C@@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 4823663 YFRDMDSPYBSJRB-VKBBSDOSSA-N 537.620 4.521 0 40 KJAB O=C(NCc1nnc(SCC(=O)N2CCCc3ccccc32)n1-c1cccc(Cl)c1)c1ccco1 9369075 QQAXZKDQQYMUJM-UHFFFAOYSA-N 508.003 4.515 0 40 KJAB CCCCC1CCC(C(=O)Nc2nnc(SCC(=O)NCCc3ccc(OC)c(OC)c3)s2)CC1 9600099 ZWFPZAYEBLGZEH-UHFFFAOYSA-N 520.721 4.941 0 40 KJAB COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2cc3ccccc3cc2OC)c1 9907872 MLFRZYLPZKZODH-UHFFFAOYSA-N 523.589 4.850 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCc3cccc(F)c3)c(=O)cc1[C@@H](NC(C)=O)CC2 12872584 JOQLNGOHDIFJBA-QHCPKHFHSA-N 506.574 4.657 0 40 KJAB biogenic COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2)c(OC)c1 13030017 SYHHYTSHCYNFAS-GDLZYMKVSA-N 527.625 4.590 0 40 KJAB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 13769437 JAFRYOZMXQRUJI-PKTNWEFCSA-N 520.541 4.966 0 40 KJAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cc(Cl)ccc1Cl 14412601 CGIMAQYMDXLZNF-UHFFFAOYSA-N 511.358 4.738 0 40 KJAB COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@H]4CCCN5CCCC[C@@H]45)cc3n2)cc1OC 15276447 KOHCDUZPFFPZTD-XLIONFOSSA-N 518.536 4.854 0 40 KJAB C[C@H](NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1cccc(Br)c1 19937883 NIKUBEMLSWWLRD-KRWDZBQOSA-N 503.418 4.530 0 40 KJAB COc1ccc([C@H](C)NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 20012053 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O=C1[C@H]2ON(c3ccccc3)[C@H](c3sc(=O)n(-c4ccccc4)c3Cl)[C@H]2C(=O)N1c1ccc(F)cc1 100920027 LCXZCSHRMYPTQK-HKBOAZHASA-N 521.957 4.743 0 40 KJAB Cc1c(Br)ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1C 102087094 FVFJRTRWBMPEIS-WFTXACDVSA-N 519.439 4.669 0 40 KJAB COc1ccc(CCNC(=O)CCCn2c(SCC(=O)c3ccc(Cl)cc3)nc3cc4c(cc3c2=O)OCO4)cc1OC 102755645 SVBGQIJFWMGCMU-UHFFFAOYSA-N 624.115 4.910 0 40 KJAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCC(=O)NC(=O)Nc5ccc6c(c5)OCCO6)(C4)C2)C3)cc1C 102994673 ZBHSACAEJILLPB-ZLBTVSDASA-N 518.610 4.804 0 40 KJAB COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2C)cc1OC 106294589 OETPIFMKWXKOOU-WEVVVXLNSA-N 569.993 4.565 0 40 KJAB COC(=O)COc1c(I)cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1OC 106733947 KNLBJNDIGHEBCA-IDUWFGFVSA-N 591.782 4.881 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3ccccn3)c(=O)cc1[C@@H](NC(C)=O)CC2 108447604 VWKIKZZXSXYLRA-DEOSSOPVSA-N 574.678 4.869 0 40 KJAB biogenic COc1ccc(S(=O)(=O)NCCSCc2c(Cl)cccc2Cl)cc1I 109107190 WTKGPZGKEFBYPM-UHFFFAOYSA-N 532.252 4.818 0 40 KJAB CCN(c1ccc(C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1)S(=O)(=O)c1ccc(SC)cc1 139707985 SVJOQPMQWHAGLN-UHFFFAOYSA-N 577.750 4.571 0 40 KJAB CC(=O)c1ccc(N2CCN(C(=S)S[C@H]3CC(=O)N(c4cc(Cl)ccc4Cl)C3=O)CC2)cc1 215761243 ZQJFNFJOQSLPAI-FQEVSTJZSA-N 522.479 4.668 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 222550529 AIHAWZIJLNOBGT-IBGZPJMESA-N 578.518 4.669 0 40 KJAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 222861006 YOGRBPOFLSGZDQ-LJQANCHMSA-N 527.484 4.881 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 223048848 TTZRJXUCUCZIQE-VWLOTQADSA-N 535.710 4.832 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c2cccc(C)c2)cc1 223102603 FCSZVAVUGPBKBQ-VWLOTQADSA-N 549.737 4.873 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 223141669 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Cc1ccc(C(=O)CN2C(=O)S/C(=C\c3cn(CC(=O)NCc4ccco4)c4ccccc34)C2=O)cc1 409136151 SYGUWQBIJAGWPA-MXAYSNPKSA-N 513.575 4.778 0 40 KJAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OCC(=O)Nc4ccc(Br)c(C)c4)cc3)C2)cc1 409170554 WEIWBEJMUHQQRG-OAQYLSRUSA-N 550.453 4.753 0 40 KJAB CS(=O)(=O)CC[C@@H](C(=O)OCc1ccc(Br)cc1)N1C(=O)c2ccc(C(=O)OCc3ccc(Br)cc3)cc2C1=O 409182140 IIDSCGPYVYSAST-DEOSSOPVSA-N 693.366 4.711 0 40 KJAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)C1=O 409233889 UMEUDXZPARTHNB-OEAKJJBVSA-N 550.974 4.590 0 40 KJAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)C1=O 409238200 MAPWXSZBQQRHCN-BUVRLJJBSA-N 581.410 4.964 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc(I)c1O 409274901 RCCOWHIPPSBHHO-YBFXNURJSA-N 560.369 4.834 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 409337172 XCFGNWBIHJGGBD-UHFFFAOYSA-N 585.748 4.792 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(Cl)cc3Cl)n2C)c1 409365572 YPMAUTWLEKSZDB-CYBMUJFWSA-N 536.441 4.520 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 409388105 UGOSJBFCVRFBQJ-BKUYFWCQSA-N 636.464 4.626 0 40 KJAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCSCc3ccc(Cl)cc3)cc2)cc1OC 409407925 AZJNEAZTLXQEOL-UHFFFAOYSA-N 535.087 4.846 0 40 KJAB Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CCCN(Cc3cnn(C4CCCC4)c3)C2)ccc1Cl 585270065 DAUNYUYSWIGVBJ-NDEPHWFRSA-N 515.098 4.870 0 40 KJAB O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643554491 AQRGTJTYRCTULG-NDEPHWFRSA-N 509.002 4.733 0 40 KJAB COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3nc4c(OC)cccc4cc3Cl)C2)c(OC)c1 1554503113 FXNHDMCOYYAUNH-HXUWFJFHSA-N 511.962 4.847 0 40 KJAB CO[C@@]1(COc2cccc(Cl)c2)COCCN(Cc2cccc(OCCCN3CCCCCC3=O)c2)C1 2037931643 VTSTWPQWGAJQNN-GDLZYMKVSA-N 531.093 4.808 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cc2c(=O)n3ccccc3nc2s1 3213846 JVWKBVGWQQXFDU-UHFFFAOYSA-N 544.536 4.981 0 40 KJAB C[C@H](OC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)C(=O)Nc1cc(Cl)cc(Cl)c1 3248584 DRSKCMUXSZHPEH-LBPRGKRZSA-N 504.347 4.555 0 40 KJAB CCOc1ccc(NC(=O)CN(C)CC(=O)Nc2c(Br)cc(C)cc2Br)cc1OCC 3440406 PMPRKXPJQKPLAP-UHFFFAOYSA-N 557.283 4.826 0 40 KJAB CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1OC 3656134 YEAKPNJYTBFOJK-RUZDIDTESA-N 503.482 4.814 0 40 KJAB Cc1ccccc1C(=O)NN1C(=O)[C@@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 3669537 TYKPUPVOQNFYBG-JGSRLKPESA-N 566.249 4.545 0 40 KJAB CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)sc2c1CC(C)(C)NC2(C)C 8583101 YVWSNXWMSRBEAU-QGZVFWFLSA-N 547.743 4.757 0 40 KJAB Cc1ccc(C)c(N2CCN(c3nc4c(S(=O)(=O)c5ccc(C)c(C)c5)nnn4c4ccccc34)CC2)c1 9152503 PZSGQSVCUOUPJZ-UHFFFAOYSA-N 526.666 4.671 0 40 KJAB CCOC(=O)C(C(=O)OCC)[C@H](c1ccccc1)n1c(=S)n(-c2ccccc2)c(=O)c2ccccc21 9309139 SMUYWAAFNYXFRJ-DEOSSOPVSA-N 502.592 4.853 0 40 KJAB O=C(NCc1nnc(SCC(=O)N2CCCc3ccccc32)n1-c1ccc(F)cc1)c1ccccc1F 9368980 BFYQYGWNRJAWQH-UHFFFAOYSA-N 519.577 4.547 0 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KJAB COc1cc(CN(C[C@H]2CCCO2)c2ncnc3c2cnn3-c2cc(C)cc(C)c2)cc(OC)c1OC 35681887 ZZVHCOZFCZIXSS-JOCHJYFZSA-N 503.603 4.644 0 40 KJAB CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 57641780 FKSOKZAAMMWVOU-OZXSUGGESA-N 504.610 4.603 0 40 KJAB COc1cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2OC)c(OC)cc1Cl 59834502 KMXAHRUENYGKIY-LJQANCHMSA-N 539.437 4.548 0 40 KJAB CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)c1nc2ccc(OC)cc2s1 60209688 NSCCSILAAIBZHX-NHCUHLMSSA-N 558.770 4.960 0 40 KJAB CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(CCc3ccc(F)cc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 70697896 HQIOLZKCHPUREY-QNLPTKCRSA-N 541.623 4.989 0 40 KJAB biogenic CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@@H](N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(Cl)(Cl)Cl 72332832 KUHHFYZRWGDWMX-FFFKKNJJSA-N 527.707 4.671 0 40 KJAB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc(OCc2ccccc2)cc1 97946002 FXBGXHLSZLSHCK-UHFFFAOYSA-N 540.645 4.948 0 40 KJAB 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CCCSc1nnc(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)s1 225325166 PVHDVZIMAPCBKP-UHFFFAOYSA-N 541.518 4.945 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 225370929 NYPOEKNZFHBWKJ-HHHXNRCGSA-N 545.721 4.671 0 40 KJAB O=C(NCCSCc1c(Cl)cccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225532375 WTOYQQXQJQFEHC-OAHLLOKOSA-N 505.464 4.583 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 225533038 NJPSQKVXYBMVQS-VWLOTQADSA-N 596.071 4.819 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 225574700 WWSOCJFVCHEHDE-AZGAKELHSA-N 529.747 4.880 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225592397 XPVBVGBCNYTDQD-MHZLTWQESA-N 556.128 4.581 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 225623475 ATDRUYJOFJRCCL-LJAQVGFWSA-N 606.144 4.930 0 40 KJAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)c1 225785599 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4.669 0 40 KJAB CCOc1ccc(CC(=O)N2CCCCN(CCOC)C(=O)c3ccccc3OC[C@@H]2CC(C)C)cc1 643583553 BBLXBDUNHMYQDW-VWLOTQADSA-N 510.675 4.833 0 40 KJAB O=C(CCCN1CCCC1)N1CCN(Cc2ccccc2)CCCNc2ccc(Br)cc2C1 643587610 IWUYIKNMFRXQHX-UHFFFAOYSA-N 513.524 4.972 0 40 KJAB CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc(C)cc(Nc3ncc(C)s3)n2)CC1 2037834897 FONIHBSLDFUFGR-GOSISDBHSA-N 520.725 4.646 0 40 KJAB COc1ccc(-c2cc(=O)c3ccc(OC(=O)COC(=O)COCC(=O)OCC(=O)Oc4ccc5c(=O)c(-c6ccc(OC)cc6)coc5c4)cc3o2)cc1 2061000322 DTHZHUZZSLBNHQ-UHFFFAOYSA-N 750.665 4.865 0 40 KJAB COc1ccc(CNC(=O)[C@@H](c2ccc(OC)cc2)N(Cc2ccccc2)C(=O)[C@@H]2COc3ccccc3O2)cc1 898212 CUVVWDRPIUUVRC-IOWSJCHKSA-N 552.627 4.930 0 40 KJAB COC(=O)c1sc2ncn3nc(-c4cnn5c4N[C@@H](c4ccc(OC)cc4)C[C@H]5C(F)(F)F)nc3c2c1C 2804528 BAMUTQHQYIZZCT-CVEARBPZSA-N 543.531 4.966 0 40 KJAB COCCn1c(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)nc2cc(Cl)ccc2c1=O 3412879 PPYTTYFYLNXARV-UHFFFAOYSA-N 526.062 4.910 0 40 KJAB Cn1c2ccc(Br)cc2c2nnc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc21 3671805 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CCc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3cc(Br)ccc32)cc1 13634508 TWTRQNAMGUSRPW-UHFFFAOYSA-N 512.791 4.769 0 40 KJAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccc(OCc2ccccc2)cc1 19818379 ZKEIDWBUZNDCQL-RRPNLBNLSA-N 513.594 4.767 0 40 KJAB CCOc1cc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1Br 41091741 HYTLGMQMYIBIGD-UHFFFAOYSA-N 515.473 4.944 0 40 KJAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1OC 44904467 TTYKZIFIZKYVCH-LJQANCHMSA-N 514.669 4.807 0 40 KJAB Cc1c(Cl)cccc1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)cc(Cl)c1 59671442 NRNDDRKFJRKPHS-ZWKOTPCHSA-N 518.875 4.669 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)S(=O)(=O)c2ccccc2)cc1 59885134 OVRYPEJZLGYXGT-UHFFFAOYSA-N 595.699 4.647 0 40 KJAB C=CC1=C(C)/C(=C\C2=C(C)[C@H](CCC(=O)O)C(CC3=NC(/C=C4/NC(=O)C(C)=C4C=C)=C(C)[C@H]3CCC(=O)O)=N2)NC1=O 100019107 KRAPUBRHQOHVHM-DEBGUFHHSA-N 584.673 4.828 0 40 KJAB in-vitro O=C1OC(c2ccc(NC(=O)c3cncc(Br)c3)cc2)=N/C1=C/c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 100057828 CQWBDOREIPNEKO-SSDVNMTOSA-N 583.354 4.585 0 40 KJAB COc1cc(OC)cc([C@H](NC(=O)[C@H](c2ccc(C)c(C)c2)n2nnc3ccccc32)C(=O)NC2CCCC2)c1 100455922 PFVRAINBTRJJID-VMPREFPWSA-N 541.652 4.571 0 40 KJAB CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@]12C(=O)Nc1ccccc12 102673342 IQUHXFHRBYUFTH-SFYJVUIZSA-N 528.008 4.753 0 40 KJAB CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCCc3ccccc3)C(=O)N12)C(=O)Nc1ccccc1OC 102752460 CDDOBKJWQHHCGH-RSXGOPAZSA-N 569.687 4.553 0 40 KJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnnn2-c2cc(C)ccc2C)c1 103066855 WKAFEXOBAVJKGD-UHFFFAOYSA-N 557.101 4.879 0 40 KJAB CCOc1cc(CNCCCSc2nnnn2C)cc(Br)c1OCc1ccc(Cl)cc1 105346934 XXGAZFQSJPEYBZ-UHFFFAOYSA-N 526.888 4.876 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 108243029 DMJXYGTWJKWZEC-HSZRJFAPSA-N 540.648 4.563 0 40 KJAB COCCn1ccc2c(NC(=O)CNc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)cccc21 108449466 KWMGMINAKXSVIC-SANMLTNESA-N 614.699 4.515 0 40 KJAB biogenic COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl 140371086 RTPQEGUJKGMCIE-UHFFFAOYSA-N 578.112 4.885 0 40 KJAB COC(=O)CCCCC(=O)c1ccc2c(c1)OCCOCCOc1ccc(C(=O)CCCCC(=O)OC)cc1OCCOCCO2 156736707 QRSUPVXQGPKDLM-UHFFFAOYSA-N 644.714 4.781 0 40 KJAB COC(=O)c1cc2cc(NC(=O)COc3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)ccc2s1 216516368 FUPBTCBBVOAKDW-UHFFFAOYSA-N 524.620 4.839 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 222808970 RTUQSIXGZRQLRP-SANMLTNESA-N 602.153 4.885 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223036139 KWCXZTVSVVANFC-FCHUYYIVSA-N 602.153 4.885 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223109950 ITFJXDALGVOCHD-WJOKGBTCSA-N 675.804 4.693 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 223137440 GJCQBGKHZPOXLR-MHZLTWQESA-N 535.710 4.912 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 223166633 IYDRLWNEJVJXSI-FGZHOGPDSA-N 616.578 4.985 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 223275648 UTBOFFCEDPBCBT-ABYGYWHVSA-N 549.737 4.624 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 223395258 WESOOSFVGGVLNJ-QHCPKHFHSA-N 536.138 4.952 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 223442426 JSEJKWOTHYYKHE-HSZRJFAPSA-N 567.708 4.587 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](CC)C(=O)NC(C)(C)C)S(C)(=O)=O 223465821 CIMANEMUXUOBJR-NRFANRHFSA-N 572.555 4.880 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3cccc4ccccc34)Oc3cc(C)ccc32)cc1 223553956 IQULVJABCQAJLL-NDEPHWFRSA-N 516.619 4.608 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 223571610 ZUYIVCMNMYQYBV-QDPGVEIFSA-N 585.170 4.508 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 223699671 VFKJSESIKMGCFI-OAQYLSRUSA-N 542.529 4.524 0 40 KJAB Cc1cccc(CN(C(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1 223804986 WNYFTDOBLXCQBV-DEOSSOPVSA-N 527.731 4.634 0 40 KJAB Cc1cccc(CN(C(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1 223806528 ZZVVWVBBRVAPFO-DEOSSOPVSA-N 527.731 4.634 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1 223811056 VQGLKNBUPCLROG-SFHVURJKSA-N 540.513 4.544 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223925044 MQAWWKBJTBVPSD-SFHVURJKSA-N 598.549 4.744 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224033653 MGDFOWJPCXWKGM-HNNXBMFYSA-N 548.920 4.745 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 224079648 PYZPYDXTSBZDBN-JOCHJYFZSA-N 542.101 4.725 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 224653018 FWZUXORSWDWIEQ-MHZLTWQESA-N 529.747 4.738 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 224944741 BIEZAGCAKOJAKJ-SANMLTNESA-N 578.081 4.549 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 224996564 UUXMICJZHNXUKE-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 225108165 MIKLMABUBGHZMX-QZTJIDSGSA-N 562.054 4.765 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)Oc3ccc(C)cc32)cc1 225165374 GFGIFUQUXFIMLD-DEOSSOPVSA-N 537.663 4.856 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)Oc3cc(C)ccc32)cc1 225165736 AEDUMZMVWNOSDO-DEOSSOPVSA-N 553.662 4.556 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 225273867 GYYZXBZAQSAAHS-MHZLTWQESA-N 600.579 4.772 0 40 KJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)O)cc2)cc1NC(C)=O 225326671 IMPWGHZTNUYKGY-UIOOFZCWSA-N 527.606 4.715 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 225685804 DQBIFGCZTGYOGL-WZONZLPQSA-N 600.565 4.643 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 225725021 VGQRITOAMDECMV-LJAQVGFWSA-N 565.736 4.839 0 40 KJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 245238380 MLASZEUJFPJEAY-UWQCJCJPSA-N 506.687 4.986 0 40 KJAB biogenic Cc1ccccc1CN(C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)[C@H](C)C(=O)NC(C)C 260743991 NIAWSGUVHLKUFQ-JOCHJYFZSA-N 542.101 4.786 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)c2ccccc2OC)cc1 260769513 HLNBZPRHIQXKCV-XMMPIXPASA-N 593.746 4.684 0 40 KJAB 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CCOc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(OC)cc2)cc2cc(Br)ccc21 408572824 ARZJBZOXMJHXBW-UHFFFAOYSA-N 551.397 4.772 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 408625280 IYZGHNKYYMHLPF-UHFFFAOYSA-N 603.697 4.519 0 40 KJAB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 408640107 HHMUQRMNUGUAEP-YZROFBKESA-N 523.416 4.984 0 40 KJAB COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4C)C3)cc2)c1 408649873 LQTBPCQBZGXUNV-HXUWFJFHSA-N 521.953 4.655 0 40 KJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408682085 GBCQHHKLJUHEIW-HCIHMXRSSA-N 543.801 4.518 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408760019 QBAWTHQZFXGJPE-CWJUKMOQSA-N 693.572 4.649 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)O)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408766087 ZGGYNGBHVGOXGN-KUSDHMTMSA-N 636.682 4.911 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408841891 MCFBKDLVOHGCPD-DPWKNNTCSA-N 631.854 4.774 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408859477 USBZJNYVAXTQJM-DKOMQPSQSA-N 772.399 4.720 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(CC)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1 408983719 HFZXPYQPNVMSCI-AHQATDLNSA-N 533.653 4.910 0 40 KJAB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 409004519 DJGVRQGHIHTKBD-UHFFFAOYSA-N 536.456 4.672 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 409016873 UAVONDLNQWZSJG-LPYMAVHISA-N 615.399 4.939 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cc(Cl)ccc3O)c2=O)=N1 409034650 HZWWZQUZYIRECF-YOKWNPFVSA-N 591.911 4.709 0 40 KJAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OCc3cccc(F)c3)cc2Br)C1=O 409049938 RNTMSMUIDZYMHP-DJKKODMXSA-N 524.364 4.775 0 40 KJAB CCOc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Br)c1OCc1cccc(C)c1 409075529 WQMQMFASUWNAGR-UHFFFAOYSA-N 675.627 4.860 0 40 KJAB CCc1cccc2c(/C=C3\NC(=S)N(c4ccc(C)c(C)c4)C3=O)cn(CC(=O)NCc3ccco3)c12 409129797 UYFARZFDEVEMEL-QFEZKATASA-N 512.635 4.992 0 40 KJAB CCc1ccccc1N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)S(=O)(=O)c1ccc(C)cc1 409135268 XWTGPHUHWSUNNH-UHFFFAOYSA-N 512.075 4.755 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C1=O)Nc1ccc2c(c1)OCO2 409157337 MJUUXPKHMUNFOE-ZVHZXABRSA-N 518.547 4.548 0 40 KJAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)C1=O 409238874 OCWUMRSWBZJDPJ-CIAFOILYSA-N 753.287 4.713 0 40 KJAB C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc(Br)cc2F)n1C 409360598 ORZXLODQSILJEV-LLVKDONJSA-N 526.819 4.592 0 40 KJAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(I)c(OC)c(I)c3)C2=O)o1 409385473 KSNXDQUALJJJED-VGOFMYFVSA-N 625.178 4.521 0 40 KJAB COc1cccc(CCc2nc(N(C)CCc3ccccc3)ncc2C(=O)NS(=O)(=O)c2cccc(Br)c2)c1 585265776 TYJLIPRUEMPKEH-UHFFFAOYSA-N 609.546 4.831 0 40 KJAB CC(=O)N1CCCN(C)CCN(C(=O)c2c3ccccc3nn2Cc2ccc(F)cc2)Cc2ccccc21 643554147 MAGJNONRBCKFSJ-UHFFFAOYSA-N 513.617 4.555 0 40 KJAB CC(C)C[C@@H]1NC(=O)c2cc(Cl)ccc2OCC=CCC2(CCN(CC(=O)Nc3ccc4c(c3)OCCCO4)CC2)CNC1=O 2037884935 JWUKPBJDFNNYNC-MHZLTWQESA-N 639.193 4.822 0 40 KJAB COc1ccc(N(C(=O)[C@@H]2COc3ccccc3O2)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)o2)cc1 931091 ONELKMTWPLUAJF-RRPNLBNLSA-N 504.583 4.960 0 40 KJAB COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCN(Cc5ccccc5)CC4)CC(=O)N32)c1 2105073 ABTJXKKRXKCLMX-BHDXBOSCSA-N 534.660 4.526 0 40 KJAB biogenic CN(C)[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1)c1cccs1 3421835 OYEIXGQQHGMEFA-AWEZNQCLSA-N 504.486 4.950 0 40 KJAB CCOC(=O)Oc1c(OC)cc(C(=O)O[C@H]2C[C@H]3CN4CCc5c([nH]c6cc(OC)ccc56)[C@@H]4C[C@@H]3[C@H](C(=O)OC)[C@@H]2OC)cc1OC 3831495 ZCDNRPPFBQDQHR-UNHOLODBSA-N 666.724 4.698 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 8443653 KUXINJBPXBSCPH-RGDUZTMSSA-N 594.645 4.918 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc(N(C)C)cc2)c2ccc(OC)c(OC)c2)cc1 8695802 UMQHLRGRRDBKPO-XIFFEERXSA-N 608.699 4.932 0 40 KJAB CCOCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)Cc1c[nH]c2ccccc12 9834984 WJEDKBLWJGCZQK-SSEXGKCCSA-N 527.621 4.752 0 40 KJAB Cc1ccc(CN(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NCc2ccco2)c2ccccc2F)cc1 12487704 FEBBDNYZRSVGFX-SANMLTNESA-N 519.598 4.605 0 40 KJAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 12534689 BGBJRGXTHZEQHD-UHFFFAOYSA-N 513.579 4.521 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(Cc1ccccc1Cl)C(=O)Cn1nnc2ccccc21 13023688 QMKUHEVPAJZUDR-VWLOTQADSA-N 505.022 4.555 0 40 KJAB COc1ccc(CN(C(=O)c2cnsn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1OC 13494366 BYFZAMVWBMMILE-XMMPIXPASA-N 512.607 4.527 0 40 KJAB CC(C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 14155757 AGQJFLUWHZWLEL-UHFFFAOYSA-N 523.699 4.697 0 40 KJAB CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)c(C)c2[nH]c1=O)N1CCN(c2cc(C)ccc2C)CC1 19941501 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CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](CCSC)NC(=O)c2ccc(Cl)cc2Cl)sc(C)c1C 103060072 JNWMBRVAPSTRGZ-QGZVFWFLSA-N 561.509 4.882 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 105496799 ZKPGIWRVCFDSCJ-LMSRTUJASA-N 565.047 4.729 0 40 KJAB Cc1cccc(NC(=O)[C@H](Cc2cc(I)c(O)c(I)c2)NC(=O)OC(C)(C)C)c1 106321753 QNFMWIDVZYVSFE-KRWDZBQOSA-N 622.241 4.984 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NC3CCCCCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 108449490 NIXVSBBWVLJLGH-DFBJGRDBSA-N 565.711 4.893 0 40 KJAB biogenic COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)Nc3nccs3)c(=O)cc1[C@@H](NC(C)=O)CC2 108451250 MGWLUJSPCBWNCZ-GMAHTHKFSA-N 580.707 4.785 0 40 KJAB biogenic COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N(CC(=O)Nc3ccc(OC)c(OC)c3)c3ccccc3OC)cc2)cc1OC 150446706 MXYMQEJIMUZJJO-UHFFFAOYSA-N 665.721 4.581 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C/c3cc(Br)c(I)o3)c2=O)=N1 164835498 WPYNHQNMRKKCQA-GTENMVSRSA-N 652.333 4.896 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 222462321 IEZMIEOZUDMSRU-PWUYWRBVSA-N 625.788 4.938 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 222687824 YDQSZNWIIRDGEK-IBGZPJMESA-N 548.492 4.660 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 222710874 IKUNAPKKAWHYRM-LJQANCHMSA-N 578.518 4.502 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 223002051 DFHCGOYDPQOKIU-NDEPHWFRSA-N 586.154 4.527 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223263569 ZIAPBQUYSXZGMI-XMMPIXPASA-N 626.534 4.898 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223691538 LQYVUDVOTFDBGS-JOCHJYFZSA-N 542.529 4.524 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 223737308 YVEDVVHDYRAPOU-QFIPXVFZSA-N 645.563 4.963 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223752424 IGNWWBCAUKDPME-IBGZPJMESA-N 608.544 4.759 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 223958313 NKCNMWXLMFCKIQ-INIZCTEOSA-N 548.920 4.746 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223969800 OYQUNCWEUFAARO-NDEPHWFRSA-N 627.735 4.525 0 40 KJAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 224060146 YPVCKVXTINXQRR-VWLOTQADSA-N 566.164 4.661 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1OCC)S(C)(=O)=O 224608628 PVWOYQBTJMZAEN-SSEXGKCCSA-N 609.789 4.806 0 40 KJAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 224642532 SAWOBEGRQQTJHF-MRXNPFEDSA-N 506.983 4.569 0 40 KJAB Cc1cccc(N(Cc2ccc(C(=O)NCc3cccc(CN4CCCCC4)c3)cc2)S(C)(=O)=O)c1 224667840 ZVVAMIKRJCYQBW-UHFFFAOYSA-N 505.684 4.877 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 224707720 OVAWZJQWNXIXSJ-RUZDIDTESA-N 535.710 4.751 0 40 KJAB Cc1cccc(C)c1N(Cc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1)S(C)(=O)=O 224759756 MZKNPOZFRJMKLK-UHFFFAOYSA-N 521.683 4.995 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 225292310 AXKBCYGECWYDQF-RBUKOAKNSA-N 542.529 4.708 0 40 KJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1NS(C)(=O)=O 225489360 LKODJXCTNDMUAF-DQEYMECFSA-N 520.636 4.899 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)c2ccc(F)cc2)cc1 225527018 DZYIKEYFXFRUSY-QHCPKHFHSA-N 569.699 4.670 0 40 KJAB Cc1[nH]c(C)c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1I 225606330 AQNXNVITQBCXME-FGZHOGPDSA-N 563.440 4.772 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 225652179 YNUXZQJKUMTECP-OXJNMPFZSA-N 546.492 4.621 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 225663881 JYEAQBTYJXZOQQ-SQJMNOBHSA-N 533.710 4.711 0 40 KJAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1OC 225692071 OFHJPWXYZGHYHM-UYRXBGFRSA-N 569.437 4.665 0 40 KJAB Fc1ccc(C2(CNC(=S)Nc3nc(Sc4ncccn4)cc(N4CCCC4)n3)CCCC2)cc1 225976577 YQEGFTJNOXRPON-UHFFFAOYSA-N 509.680 4.956 0 40 KJAB S=C(NCC1(c2ccccc2)CCCCC1)Nc1nc(N2CCCCCC2)cc(N2CCOCC2)n1 225982894 BBUFTDONQXKLSM-UHFFFAOYSA-N 508.736 4.882 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)Cc2ccccc2)cc1OC 226010849 ZMYYDNPTFKOXPT-UHFFFAOYSA-N 656.182 4.938 0 40 KJAB COCCO[C@H]1[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[C@H]1O 230402809 PRAZQDMVAGLVKR-NYXALMTLSA-N 707.780 4.811 0 40 KJAB CCOc1ccc([C@@H]2[C@H](C(=O)OCc3ccccc3)C(=O)C[C@](C)(O)[C@@H]2C(=O)OCc2ccccc2)cc1 253571793 PKGQHCDCUTXKAE-IEVQEWPMSA-N 516.590 4.612 0 40 KJAB COc1ccc(CNC(=S)Nc2nc(N3CCN(c4ccccc4)CC3)cc(N3CCC[C@H](C)C3)n2)cc1 260723114 WVYGFBHSQAGYJT-QFIPXVFZSA-N 531.730 4.535 0 40 KJAB Cc1c(Cl)cccc1N(CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 260787056 LYWXKQJDUGEMBD-LJQANCHMSA-N 540.101 4.666 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)c2cccc(Cl)c2)cc1 260849655 DCNLYDYXIKRAHK-OAQYLSRUSA-N 560.091 4.925 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 260873396 FXGJDQNSMMIBTJ-UXHICEINSA-N 541.636 4.584 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1cccc(OC)c1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 260874412 LXWWDKOBHYFNFD-SSEXGKCCSA-N 609.789 4.805 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 260885856 CMZKZJMHEYNTTC-BWKNWUBXSA-N 566.164 4.925 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 260892304 RTYPYXGZHIHSHH-GDLZYMKVSA-N 597.753 4.935 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(C)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 260897717 GWYMBOXSAKLTOF-WJOKGBTCSA-N 591.774 4.859 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 260904971 FHCUYSSEISXBCN-RPWUZVMVSA-N 551.709 4.531 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1C 260908830 PWGBDMCEBJSMQG-LJQANCHMSA-N 542.529 4.566 0 40 KJAB COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C[C@H]2CCCO2)cc1Cl 260918014 KNEHARPCICPGHA-WVQWTBLQSA-N 513.063 4.918 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 260927879 HFLJUBCIIGMGEM-UXHICEINSA-N 540.101 4.666 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 260969589 MHROKZLTDUBIDM-DQEYMECFSA-N 565.736 4.839 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C 261042894 YYCWUIGXPGJBQR-QGZVFWFLSA-N 562.054 4.765 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 261077089 QORAKSHVVPHSOY-CVEARBPZSA-N 593.371 4.854 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 261105297 WXLZHBMMNCAOKL-SVEHJYQDSA-N 549.737 4.624 0 40 KJAB CCOC(=O)c1cc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3O)n2)ccc1Cl 408541595 CHGPIBHTNIZQOM-UHFFFAOYSA-N 511.785 4.501 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)Cc2ccc(Br)cc2)cc1 408620734 LFHQHOMLEKKDBG-VMPITWQZSA-N 582.564 4.806 0 40 KJAB O=C(Oc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408673423 WVPCVQZTTDTYQM-ZTFGCOKTSA-N 501.366 4.632 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OC(C)C)c(=O)n2[C@@H]1c1ccc(F)cc1 408808043 DKYQSLSRDUWDGA-ZYSRDMNZSA-N 572.658 4.871 0 40 KJAB COc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@H](C1=O)C1c3ccccc3C2(Br)c2ccccc21 408919348 WSBOBQRCGMDTTQ-ZOVQAKDCSA-N 502.364 4.801 0 40 KJAB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)ccc1OC(C)C 408924171 QOTUGTHCCJWWNQ-RISWYLRJSA-N 552.718 4.705 0 40 KJAB O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 408938758 RLLWFOKBUQVXKA-UHFFFAOYSA-N 536.456 4.672 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccccc4)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 408985245 KCGIWSAQIPOIFQ-PYCBVSLESA-N 584.694 4.785 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1cc(Br)ccc1OC 409022822 UATLIEYUQAYTIU-QZAXSOQMSA-N 671.573 4.697 0 40 KJAB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(I)c1O[C@H](C)CC 409039308 RGHCHKVJRCGIQH-MYMXKZGLSA-N 646.547 4.979 0 40 KJAB CCOc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Br)c1OCc1ccccc1 409065068 HCPCVTFLPUWJLX-UHFFFAOYSA-N 661.600 4.552 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(Cc4ccccc4)c4ccccc43)c(=O)n2[C@H]1c1ccc(Cl)cc1 409114190 DINQOSZMRACKHM-TXTDGAROSA-N 597.140 4.674 0 40 KJAB Cc1ccc(Cl)cc1N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)S(=O)(=O)c1ccccc1 409125230 DOIMNSTVCWTWCD-UHFFFAOYSA-N 518.466 4.846 0 40 KJAB CC(C)CC(=O)N1CCCN(C(C)C)CCN(C(=O)CCc2cnn(C)c2)Cc2ccc(Cl)cc21 643565609 KXSIMQJBFIPBRG-UHFFFAOYSA-N 502.103 4.528 0 40 KJAB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NCCc1ccc2c(c1)OCCO2 719363 WVQJIVVXCJHUIT-UHFFFAOYSA-N 533.675 4.548 0 40 KJAB Cc1c(NC(=O)c2nn3c(c2Cl)N[C@H](c2ccco2)C[C@H]3C(F)(F)F)c(=O)n(-c2ccccc2)n1C 866939 OBQMETUZRKGQLJ-HOCLYGCPSA-N 520.899 4.840 0 40 KJAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)cc1 883824 ZKSHHIRFBIABKZ-GOSISDBHSA-N 525.700 4.530 0 40 KJAB COc1cccc(N(C(=O)Cn2nnc(-c3cccs3)n2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)c1 887200 QYLJWGRYMFYYGP-AREMUKBSSA-N 530.654 4.552 0 40 KJAB COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C(=S)N[C@H](C)c2ccccc2)cc1 891378 NUPRUDWBARYNGE-LJQANCHMSA-N 515.635 4.946 0 40 KJAB CC(C)OC(=O)c1cccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(CCc4ccccc4)C3=O)c2)c1 1785728 DTCFUYZPZVCXDZ-UHFFFAOYSA-N 531.996 4.978 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(-c4ccccc4)[nH]c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 2049453 JJLTUBXAVLCQKF-OINPTKSXSA-N 579.678 4.964 0 40 KJAB COc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccsc23)c(OC)c1 8589539 XJFZEAAYGWNHHO-UHFFFAOYSA-N 546.428 4.695 0 40 KJAB Cc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(Br)cc2)cc1Cl 9434224 NOJKSDXIDAQODJ-UHFFFAOYSA-N 504.797 4.564 0 40 KJAB O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(c2nc(-c3ccccc3)c3cc(Br)ccc3n2)CC1 9762172 FCDVJNDWLLZZIJ-VQTJNVASSA-N 523.431 4.599 0 40 KJAB CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2ccccc2F)cc1 12468373 OJINIUMZYWEEKI-RUZDIDTESA-N 521.614 4.807 0 40 KJAB C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=c3\sc4nc(-c5cccs5)nn4c3=O)ccc2O1 16733943 VFYKNKKBNPZXTI-GMPVXANTSA-N 509.616 4.603 0 40 KJAB C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1cccc(Br)c1 20023969 DCHBEBWZIPQRID-LJQANCHMSA-N 515.473 4.780 0 40 KJAB COc1ccc(NC(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2F)S(C)(=O)=O)cc1Cl 22254537 RIEJSRHKBDJCBH-UHFFFAOYSA-N 522.982 4.723 0 40 KJAB Nc1cccc2c1C(=O)N(CC(=O)N1N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@@H]1c1cccs1)C2=O 33490710 RVCRTRUAUARBOM-PEUPVPMCSA-N 502.621 4.811 0 40 KJAB CCOc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 60018133 SSHGPASFWIPPSX-UHFFFAOYSA-N 547.471 4.677 0 40 KJAB COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NC[C@H]4CCCO4)C(=O)N32)c1 70707082 KTUQHZGGWLWRQB-LJQNWDROSA-N 550.615 4.568 0 40 KJAB biogenic O=C(NCCCN1CCN(CCCNC(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)c(Cl)c1 97947923 MBDLXBJBJHPIAA-UHFFFAOYSA-N 546.326 4.858 0 40 KJAB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)o2)C(C(=O)Nc2ccccc2C)=C(C)N=3)ccc1OC(F)F 98046145 LPHSXVDKZUNLGY-AQIZGWBQSA-N 565.598 4.694 0 40 KJAB CCOC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2ccsc2)c1 100364759 SNVNJJCDVATMKY-AREMUKBSSA-N 531.638 4.503 0 40 KJAB COc1cc(-c2nc(COC(=O)c3nnn(-c4ccc(Br)cc4)c3C)c(C)o2)cc(OC)c1OC 102209564 HEDABJKDTQSVPS-UHFFFAOYSA-N 543.374 4.684 0 40 KJAB COc1cccc(-n2c(SCC(=O)Nc3cccc(Cl)c3C)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1 103069928 QKXRYRWACNHWIY-UHFFFAOYSA-N 572.112 4.886 0 40 KJAB COc1ccc(N(CC(=O)NCc2ccc(CN3CCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 139851828 DPSLPURUDPJFMQ-UHFFFAOYSA-N 542.101 4.765 0 40 KJAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CCC(=O)NCCCN2CCOCC2)cc1 199412234 FXTVHDLIAGBMSL-JGCGQSQUSA-N 536.676 4.917 0 40 KJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)ccc2Cl)c1 215951859 ZTBVYMIFZXDJOZ-UHFFFAOYSA-N 557.053 4.897 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 222489370 XZTSAQMRKSANOX-ATIYNZHBSA-N 545.746 4.580 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 222489733 WBCGNDWFYMURTB-CJFMBICVSA-N 566.164 4.925 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 222581884 PNTXEZJSALUXHJ-AREMUKBSSA-N 662.205 4.902 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 222682278 DSFMZJFWUYOJIZ-MHZLTWQESA-N 600.579 4.725 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC)S(C)(=O)=O 222711342 VWDYICJUDBSPJK-VWLOTQADSA-N 592.545 4.544 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 222844422 WLVYBNOJWUGKKQ-XMMPIXPASA-N 552.137 4.535 0 40 KJAB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1 222868585 KMYQHCFVVOAIDZ-UHFFFAOYSA-N 576.140 4.740 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 222957833 NCLDXDMKJARGNH-HNNXBMFYSA-N 548.920 4.745 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 222970110 BUYUPMAIWYLZNS-XMMPIXPASA-N 535.710 4.778 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 223039591 KYJMQUJRTUZZJX-IBGZPJMESA-N 637.394 4.960 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223314481 QAGQKYPKDKPSDB-SFHVURJKSA-N 586.538 4.602 0 40 KJAB CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 223512316 IFEFUBJOJJTSSI-SSEXGKCCSA-N 565.736 4.533 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 223565660 YEYYNNWMSGNGQL-AREMUKBSSA-N 600.579 4.608 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 223645717 BVWOAYPXNMXRDE-RUZDIDTESA-N 515.720 4.608 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 223707959 VDZSWGUUPPVWNS-CYBMUJFWSA-N 555.311 4.620 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 223914446 CCZQOCWYXAIERF-MRXNPFEDSA-N 560.931 4.889 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223945941 KBBWBXSOAZPFHH-SFHVURJKSA-N 624.518 4.652 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(OC)cc1 223964489 KEYFNEFWISSZDG-SKCUWOTOSA-N 504.627 4.637 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)cc1 224050793 HSKRNCIGLRTULE-DEOSSOPVSA-N 593.746 4.765 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 224060219 MANMNHZSGKZMBZ-HHHXNRCGSA-N 529.747 4.616 0 40 KJAB Cc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1Cl 224152800 WALGKIDHGQBKKD-UHFFFAOYSA-N 519.878 4.692 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 224372392 NMAXUGSJVLWXTL-SANMLTNESA-N 576.090 4.627 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 224459729 AMGLTVMPDOIHLR-NRFANRHFSA-N 593.371 4.774 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc2ccccc2c1Br 224583451 QPJABJYMKCZAHR-QFIPXVFZSA-N 513.432 4.933 0 40 KJAB COc1ccccc1N(CC(=O)NCc1cccc(CN2CCCCC2)c1)S(=O)(=O)c1ccc(C)cc1 224658669 MDDCKQUUMVROCS-UHFFFAOYSA-N 521.683 4.501 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 224662874 BPMPQOVYHWQARW-RUZDIDTESA-N 577.747 4.898 0 40 KJAB COc1ccccc1N(Cc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1)S(C)(=O)=O 224742085 QGCMEACXECHJSU-UHFFFAOYSA-N 510.656 4.768 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 224835287 AFVUDGVGZFPJAY-LJQANCHMSA-N 528.074 4.726 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C)c2cccc(Cl)c2C)cc1 225027557 FDBRBNNYAIXVNY-UHFFFAOYSA-N 516.044 4.704 0 40 KJAB Cc1cccc(C)c1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 225211576 MTWLAJWWKNLCHW-NRFANRHFSA-N 578.573 4.698 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 225316849 RZWWYIJKFXZIBP-QHCPKHFHSA-N 542.529 4.710 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 225385485 VGVCKCCOWHOHBX-FGZHOGPDSA-N 616.578 4.985 0 40 KJAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 225427876 SCLWUEBKRQMQPJ-AREMUKBSSA-N 586.154 4.920 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 225560948 JTSGZQYSRPURCW-RBJSKKJNSA-N 595.762 4.930 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 225575154 MGRNUARORXKLAS-WJOKGBTCSA-N 615.752 4.594 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 225616467 PBMHYXMXLZMGOK-MUUNZHRXSA-N 570.155 4.889 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 225712328 FLSGUPHUBRCQEW-QFIPXVFZSA-N 586.552 4.834 0 40 KJAB O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCCSc1nc(-c2ccccc2)n[nH]1 226030141 FMPXUUXCRLVLFI-UHFFFAOYSA-N 576.531 4.878 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 260737254 LRHVLFBXAMIBLG-LJQANCHMSA-N 542.529 4.790 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC)S(=O)(=O)c1ccccc1 260749258 DATLFWSBOOOASM-WJOKGBTCSA-N 599.753 4.975 0 40 KJAB CCc1ccc(N(CCCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260778805 ISZXFONCHQOUBA-XMMPIXPASA-N 541.758 4.704 0 40 KJAB C[C@H]1Cc2cc(C(=O)N3C[C@H](C(=O)NCCc4ccccc4)Oc4ccccc43)ccc2N1S(=O)(=O)c1ccccc1 260825401 FWECEITVYKQLMY-GTYOFVGBSA-N 581.694 4.593 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c2ccccc2)cc1 260885839 CMKGPTNWISYDGH-HSZRJFAPSA-N 551.709 4.613 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 260958139 KTZIRDQYZNNSGC-NGQVCNFZSA-N 595.762 4.930 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 260996766 QXJDHPCXZJDHJB-RDPSFJRHSA-N 539.673 4.990 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 261014017 UUOHESPOTFXXJY-GIGWZHCTSA-N 565.736 4.655 0 40 KJAB Cc1cccc(C)c1N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 261023014 ILUNPFUORITWFK-HHHXNRCGSA-N 549.737 4.624 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 261097139 VHVXOMBZUXCNJD-RNAHPLFWSA-N 563.764 4.878 0 40 KJAB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)C(=O)O)n[nH]2)c1 408633149 LUVMFHZROCCKHL-QRVIBDJDSA-N 533.562 4.984 0 40 KJAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)cc1Cl 408647062 SEKJPHNRMILGCQ-ZDUSSCGKSA-N 514.203 4.908 0 40 KJAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Oc4ccc(C)c(C)c4)cc3)C2)cc1 408653802 FWAMHDOJXNLZJP-QFIPXVFZSA-N 500.551 4.833 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408734701 IPUAOKZWXMTFHK-MFCBUNOESA-N 673.582 4.682 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3OC(C)C)c(=O)n2[C@@H]1c1ccccc1Cl 408825334 BEBSPXXIPHDJIA-VVOOWDFBSA-N 652.938 4.852 0 40 KJAB CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1Br 408831570 OGFXKWPZXYHCFN-BHSBJAHRSA-N 673.891 4.699 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3cc(C)n(C)c3C)c2=O)=N1 408864668 ZARXLBYTEDGTKD-GKKFRVOYSA-N 543.689 4.696 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCC(C)C)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 409017859 QWSHAOKRBZYTLR-CWPZDHDOSA-N 582.678 4.699 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(OC)c3OCc3ccccc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409032616 KBOQOAJVZFHMBN-FAVIKPSQSA-N 798.652 4.941 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3O)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409034630 HUVLDPZNCKKZKY-YLVTVWEBSA-N 713.388 4.667 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3c[nH]c4ccccc34)c2=O)=N1 409039228 WRXPLEGKAYRIND-ITIZVALFSA-N 580.504 4.831 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(I)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409085113 WOUPSTOFYMBQFD-SPVXFMEISA-N 713.388 4.581 0 40 KJAB COc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)S(=O)(=O)c1ccc(C)cc1 409138815 IKGMVQZFZZAJRB-UHFFFAOYSA-N 547.633 4.669 0 40 KJAB Cc1cc(I)ccc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccccc2)C(C)C)n1C 409150630 DBVAPTZTISMIDM-HXUWFJFHSA-N 563.465 4.586 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 409175097 PUKCERZOTQEHHV-LGJNPRDNSA-N 589.626 4.815 0 40 KJAB CN(CCc1ccccc1)c1ncc(C(=O)NS(=O)(=O)c2ccc(Br)cc2)c(CC2CCCC2)n1 585265687 PCGDSGQTSXWPOE-UHFFFAOYSA-N 557.514 4.769 0 40 KJAB C[C@]1(Cc2ccc(Br)cc2)Cc2cc(C(=O)N(CCOc3ccccc3)CC(=O)O)ccc2O1 585266387 WFDHZCLUFXZPQV-MHZLTWQESA-N 524.411 4.991 0 40 KJAB COC(=O)C[C@@H](c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604419206 LSJSWWYZLRHSQE-IBGZPJMESA-N 515.488 4.802 0 40 KJAB CN1CCCCCCCCCCCOc2ccccc2C(=O)N[C@H](C(=O)NCc2ccccc2CN2CCOCC2)CC1=O 643578322 RHQQIPKWIPJLFZ-HKBQPEDESA-N 606.808 4.685 0 40 KJAB COc1ccccc1NC(=S)N[C@@H](NC(=O)c1cccc(Br)c1)C(Cl)(Cl)Cl 727219 VHGBAEBOZYFZEQ-OAHLLOKOSA-N 511.656 4.870 0 40 KJAB CC(=O)Nc1ccc(N(C(=O)[C@@H]2COc3ccccc3O2)[C@@H](C(=O)NC2CCCCC2)c2ccco2)cc1 931043 VAVCAVWWKKNQBF-RRPNLBNLSA-N 517.582 4.601 0 40 KJAB COc1ccc(CCN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(OC)c(OC)c2)cc1OC 1359123 NIXDVOIZCYRTFP-UHFFFAOYSA-N 516.594 4.756 0 40 KJAB CC[C@H](Sc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccc2c(c1)OCO2)C(=O)Nc1cccc(C)c1 2976268 OYOXQCGRCMMOLT-NDEPHWFRSA-N 572.687 4.828 0 40 KJAB O=C(Nc1ncn(C[C@H](COC(=O)c2ccc(F)cc2)OC(=O)c2ccc(F)cc2)c2ncnc1-2)c1ccc(F)cc1 3020471 UTLVORLBDIHNCX-HSZRJFAPSA-N 575.503 4.530 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N(Cc3ccc(F)cc3)Cc3ccco3)cc2c1 6198301 KNBNMDAXJICBSY-LEAFIULHSA-N 542.615 4.780 0 40 KJAB Cn1cccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)Cn1nnc2ccccc21)c1cnc2ccccc2c1 6444437 FOOMITPGIILRCO-GDLZYMKVSA-N 521.625 4.541 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4cccc(Br)c4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 8401184 GZLGZJVGFWFNMX-ZGOFBEGVSA-N 633.520 4.789 0 40 KJAB COc1ccc(Nc2nc3c(S(=O)(=O)c4cccc(Cl)c4)nnn3c3ccsc23)cc1OC 8756965 RNFLEZUVDRQODV-UHFFFAOYSA-N 501.977 4.586 0 40 KJAB COc1ccc(OC)c(Nc2nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c3ccc(Cl)cc23)c1 8768722 MAVBHVLLKZFKNR-UHFFFAOYSA-N 509.975 4.833 0 40 KJAB CC[C@H](Sc1nc2cc(OC)c(OC)cc2c2nc(-c3ccccc3)nn12)C(=O)NCc1ccco1 9838628 XEJKPDFPUCNLNR-QFIPXVFZSA-N 503.584 4.742 0 40 KJAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 13571942 IPKYVJLWGXFORE-HSALFYBXSA-N 518.513 4.735 0 40 KJAB CCOc1cc(Br)c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC 17155021 OATDTLKKMBPRAS-GRSHGNNSSA-N 505.390 4.840 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc2c1 19941381 GLLZEOVQJJGXGM-HHHXNRCGSA-N 503.695 4.622 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccc(C)cc2)c2cc(C)cc(C)c2)cc1OC 20239445 NOOFBOCMTSDUOV-UHFFFAOYSA-N 528.696 4.733 0 40 KJAB Cc1c(C(=O)Nc2nc3ccccc3n2CCN2CCOCC2)c(-c2ccccc2)nn1-c1ccccc1 21964927 KHKHPIYXGGTCMI-UHFFFAOYSA-N 506.610 4.782 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)c1 22246540 LODAHERTAPGOKX-AREMUKBSSA-N 526.102 4.504 0 40 KJAB CCOc1cccc(N(C(=O)CCC(=O)Nc2cc(C)on2)[C@@H](C(=O)NC(C)(C)C)c2ccc(OC)cc2)c1 38145892 ZNYFKBMPLFAYNH-HHHXNRCGSA-N 536.629 4.798 0 40 KJAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)CCN(c3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)C2=O)cc1 97980256 PMJSAVCZTCQJDP-NHFJDJAPSA-N 593.727 4.750 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C(=O)NC3CCCC3)c3ccc(C)cc3)n2)cc1 100288675 PISSYJFZPBUMEM-SSEXGKCCSA-N 566.662 4.515 0 40 KJAB COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cc(I)ccc1Cl 100387912 OCUBQPZHUZBEKS-UHFFFAOYSA-N 555.781 4.925 0 40 KJAB Cc1ccc(OCc2nc(CC(=O)Nc3nc(-c4ccc(N(C)S(C)(=O)=O)cc4)cs3)cs2)cc1 102860199 ZLHWVKQTUAQMKO-UHFFFAOYSA-N 528.681 4.731 0 40 KJAB Cc1nn(Cc2c(Cl)cccc2Cl)c(SCC(=O)OCC(=O)c2ccc3c(c2)OCCO3)c1C=O 102924522 CHZDVOCBFVJTPS-UHFFFAOYSA-N 535.405 4.649 0 40 KJAB COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 103160515 YYGYPPYTNUGLGR-ASVWTAOFSA-N 572.625 4.828 0 40 KJAB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4cc(Br)c(O)c(OC)c4)c(=O)n31)c1ccccc1CC2 104655570 ZXRATSIDCUOWIA-RISWYLRJSA-N 575.484 4.804 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(Br)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 105499096 OCQYLEQTYKFTMG-CVGPFBNFSA-N 573.534 4.681 0 40 KJAB CCc1ccc(-n2cc/c(=N\c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)c(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)n2)cc1 150388483 AHAMYCRDNBNHOB-VWNHETIJSA-N 748.928 4.515 0 40 KJAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)cc1 216391534 FBWKZFUQXFAWKN-UHFFFAOYSA-N 521.620 4.568 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 222464008 NRTNVIRZDBUOFL-MUUNZHRXSA-N 551.709 4.531 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc3ccccc3c2)c2ccc(C)cc2)cc1OC 222762611 VIMUWNJSQVWRLC-UHFFFAOYSA-N 504.608 4.677 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(SC(C)C)s2)c2cccc(Cl)c2)cc1 222993631 PSYBCRNKAASFON-UHFFFAOYSA-N 513.066 4.535 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 223042543 MMFQESMZZSYQSO-LJQANCHMSA-N 622.969 4.860 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223086829 QXAJEDLZWPIIGA-PMERELPUSA-N 555.700 4.658 0 40 KJAB CCOCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 223170146 PWBJDZOCXVAKFS-YTTGMZPUSA-N 623.791 4.726 0 40 KJAB CN(c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1)S(C)(=O)=O 223367739 SBCLCZGJFCATHX-UHFFFAOYSA-N 509.628 4.650 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 223423197 JSDPVTMOUQMWQY-RUZDIDTESA-N 578.518 4.751 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 223515088 TWVRSUMRTLPNQD-MHZLTWQESA-N 600.579 4.608 0 40 KJAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NCCc1ccc(OC)c(OC)c1)c1ccccc1 223551107 IXCYWGWMXURJPJ-GDLZYMKVSA-N 504.627 4.941 0 40 KJAB CC(C)(C)c1ccccc1OCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 223703440 JAXKQDQBRYHKIF-RUZDIDTESA-N 529.058 4.789 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 223746157 YUAPSKNJBPPVLG-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)c2ccccc2)cc1OC 223804483 PXDHITDWXBJBDI-DEOSSOPVSA-N 593.746 4.684 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 223841263 UQAXWWYIXSIRGF-QHCPKHFHSA-N 600.565 4.644 0 40 KJAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 223843181 HJKWEAUBAQPKST-QFIPXVFZSA-N 578.712 4.985 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)ccc2Cl)c1 223848050 WBKIIBJWALOOGE-KRWDZBQOSA-N 521.060 4.652 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 223914159 VQYGNRARXYYZTK-HXUWFJFHSA-N 620.541 4.736 0 40 KJAB 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224127590 SDEJWUJADMMPSE-HHHXNRCGSA-N 589.680 4.946 0 40 KJAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(Cl)ccc1OCc1ccccc1 224405680 QVKDZZDKDYLHRF-UHFFFAOYSA-N 529.058 4.902 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 224435005 YWFXQHSJEHTHDH-AREMUKBSSA-N 574.118 4.800 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 224563666 BSXSFWJSBJBQMN-SANMLTNESA-N 572.127 4.796 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224699027 YBENDOOPRNVBDH-QHCPKHFHSA-N 540.101 4.605 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc(Br)cc1 224772339 BVSSCMWJTIZOHC-NDEPHWFRSA-N 612.590 4.914 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 224818227 QJMSXWKPLXXUBO-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 224864045 MXJLMYRTLQABDU-QHCPKHFHSA-N 539.673 4.581 0 40 KJAB COc1ccc(CNC(=O)CCCN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)cc1OC 224932528 WZNNNUQOFJFPML-UHFFFAOYSA-N 509.839 4.527 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 224958667 UCLIHEFMACFNFJ-INIZCTEOSA-N 548.920 4.665 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 225027288 GDVBZJBHRDDVJM-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 225076587 VHLYONXMADWQMD-SANMLTNESA-N 551.709 4.533 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 225229221 USUYGUWUPJBTAG-NHCUHLMSSA-N 573.662 4.501 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cn2)cc1Cl 225235813 RLVHRZVETMPZTH-IZZNHLLZSA-N 533.057 4.991 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(OC)c2)cc1C 225277051 VRBNTVUXGWWMFE-IZLXSDGUSA-N 527.650 4.951 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 225290640 UOFWHJBJOOHPTG-HSZRJFAPSA-N 542.529 4.710 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)ccc1OC 225307916 GHACKEBSNUUESV-UIOOFZCWSA-N 505.644 4.769 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 225677846 YEHYIQORLSHHIU-XMSQKQJNSA-N 572.555 4.799 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 225722972 MRXRUGPTLBXBEK-SANMLTNESA-N 539.673 4.661 0 40 KJAB Cc1cc(C)nc(Nc2ccccc2C(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)n1 225916320 KIMFBVRKWZBURZ-HHHXNRCGSA-N 507.594 4.604 0 40 KJAB CC1CCN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCCCc3ccccc3)n2)CC1 225965306 RMLCRQZOWRGXMJ-UHFFFAOYSA-N 529.758 4.959 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCNc2ccnc3cc(Cl)ccc23)Cc2ccccc2)cc1Cl 226051428 AFAONKOXPNZREO-UHFFFAOYSA-N 573.502 4.969 0 40 KJAB Cc1c(NC(=O)CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C[C@@H](c4ccccc4)[C@H]3C2)ccc(Br)c1Cl 226405277 ISGFSWBIYHMBLB-RZHZGLJTSA-N 501.808 4.774 0 40 KJAB O=C1[C@@H]2[C@@H](N=NN2CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)C(=O)N1c1cccc(F)c1 227002309 KWTNRJJQQQYHRL-CMYDWJSCSA-N 546.562 4.650 0 40 KJAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 229769600 PNGSJBLOWAGILV-HNIJQOJKSA-N 532.600 4.832 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1 260892020 ROEWAVZQVXAFJS-MUUNZHRXSA-N 570.155 4.888 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 260956869 KOSAKVGLGHBWDK-AMGIVPHBSA-N 599.725 4.760 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 261010172 GSYWSSXCIIDRCF-RTWAWAEBSA-N 573.662 4.501 0 40 KJAB COC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2 408605572 JNFDSDDGRHMPBX-UHFFFAOYSA-N 549.070 4.828 0 40 KJAB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)cc1 408641573 CSLUBZKDOUEVGJ-UIOOFZCWSA-N 595.073 4.831 0 40 KJAB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccco4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408650190 ZUABUZQIIQXWLS-GOTSBHOMSA-N 546.963 4.734 0 40 KJAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C[C@@H]5c5ccccc5)[C@H]4C3=O)c2)cc1 408687910 POCWWRRTRUEXMI-SQIAJRMJSA-N 508.574 4.720 0 40 KJAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccc(Br)c(C)c4C)cc3)C(=O)[C@H]21 408690833 WWJKCWRACVPNTR-BFDANITOSA-N 537.410 4.563 0 40 KJAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1ccc(F)cc1 408706324 AQQAVBXVSYADPZ-UHFFFAOYSA-N 555.653 4.965 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(NS(=O)(=O)c4ccccc4)c3)cc2)cc1 408711446 XYTOVZYMQANURX-UHFFFAOYSA-N 551.646 4.858 0 40 KJAB Cc1cccc(COc2c(I)cc(/C=C3\SC(=N)NC3=O)cc2I)c1 408926716 XQMCKIJXAWDNLE-NVNXTCNLSA-N 576.197 4.922 0 40 KJAB CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)c2ccccc21 408941866 DDCWQUKZYNWVBF-ZFWDJNJRSA-N 594.531 4.933 0 40 KJAB CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1Br 408947815 OGZZLDPTANWIQW-FWESEHMYSA-N 676.589 4.977 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc6c(c5)OCO6)cc4)c(=O)n32)cc1 409038621 PQVXYYVCLYTZRK-IVQFASICSA-N 612.704 4.893 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc5c(c4)OCO5)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409088223 WFTSODLSJYRSMG-XIHDXPBISA-N 663.546 4.877 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(I)cc(I)c4O)c(=O)n32)cc1 409091485 QUMLBVNUDMQXPD-JGTYQCAFSA-N 749.368 4.797 0 40 KJAB CCOC(=O)Cn1cc(/C=C2/C(=O)N(c3ccc(OCC)cc3)C(=S)N2C)c2cc(Br)ccc21 409132630 JOUDSQUEWIQVTA-UUYOSTAYSA-N 542.455 4.970 0 40 KJAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)Nc4cc(Cl)cc(Cl)c4)cc3)C2)cc1 409156243 RKDBSNTWZNQPBC-SFHVURJKSA-N 542.419 4.689 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3ccc(OC(F)F)c(OC)c3)c2=O)=N1 409159835 VGBGBRDMKNBVBP-LYRGBEMXSA-N 637.499 4.960 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc(I)c1OC 409176365 LPIBPGKXCSTGFB-CAOOACKPSA-N 572.808 4.945 0 40 KJAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5cc(C)ccc5C4=C[C@H](c4ccc(OC)cc4)[C@@H]3C2=O)cc1 409333315 JBDCVKPCPHIORJ-COMWGTSQSA-N 509.558 4.924 0 40 KJAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(CC(=O)Nc2ccc(Cl)c(Cl)c2)n1C 409356720 HEWDTHKWSUTSFR-UHFFFAOYSA-N 514.822 4.696 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2cccc(Cl)c2)c2ccc(F)cc2)cc1 409412367 VFZWMXONKNAKIO-UHFFFAOYSA-N 523.051 4.733 0 40 KJAB COC(=O)[C@@H]1[C@H](C)[C@H](OC)C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H]1C 575319717 BZOQTGADCSFWHV-WTMWKPRLSA-N 697.778 4.612 0 40 KJAB biogenic Cc1c(C(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OC[C@@H](CC(C)C)NC(=O)C2)c2ccccc2n1C 643556447 KNZUWZRPOPWQRV-JOCHJYFZSA-N 553.103 4.716 0 40 KJAB COc1ccc2cc(CN(Cc3ccccc3)S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[nH]c2c1 915100 XAKVQCXMSIEYGT-UHFFFAOYSA-N 502.514 4.947 0 40 KJAB COc1ccc(OC)c([C@@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)c1 1372616 VWHRCMJMTMPBEZ-PMERELPUSA-N 535.604 4.539 0 40 KJAB COC(=O)c1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Br)s1 3328412 KJTVCIFSDSIGHB-UHFFFAOYSA-N 519.402 4.785 0 40 KJAB CC(C)(C)OC(=O)N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)Nc1ccccc1 6075222 ONUIQWNGVTXGSR-MRXNPFEDSA-N 608.214 4.676 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(C(=O)c1snc(C(=O)NC2CCCCC2)c1N)c1cc(C)ccc1OC 6821133 CCVSOFMEICEVBR-OAQYLSRUSA-N 555.745 4.979 0 40 KJAB CN(C)S(=O)(=O)N(Cc1ccc(C(=O)NCCCc2ccccc2Cl)cc1)c1ccccc1F 9694777 ITSCMMYVFPYAOC-UHFFFAOYSA-N 504.027 4.655 0 40 KJAB O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCN(c2nc(-c3ccccc3)c3cc(Br)ccc3n2)CC1 9762169 FCDVJNDWLLZZIJ-UXHICEINSA-N 523.431 4.599 0 40 KJAB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)COc4c(C)cc(C)cc4Br)c3)nn12 10010354 IWSVKQNASZLQKB-UHFFFAOYSA-N 516.421 4.821 0 40 KJAB COc1cccc(CNC(=O)CSc2[nH]c(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccccc2)c1 12252253 WMXQBSPOVGPORJ-UHFFFAOYSA-N 507.637 4.635 0 40 KJAB C[C@H]1CCCN(S(=O)(=O)c2ccc(N(C(=O)c3cnccn3)[C@@H](C(=O)NC3CCCCC3)c3cccs3)cc2)C1 17297532 YWZQIEPJQIDEQV-KDYSTLNUSA-N 581.764 4.796 0 40 KJAB COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2C)cc1OC 20022379 SJJMINHZZKVKAD-QGZVFWFLSA-N 519.019 4.723 0 40 KJAB CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1Cl)c1ccc(Oc2ccccc2)cc1 20237620 GHSAJDMVJOTXKU-UHFFFAOYSA-N 505.061 4.948 0 40 KJAB Cc1ccc(CN(c2ccc(OCC(=O)Nc3ccc(Br)cc3F)cc2)S(C)(=O)=O)cc1 22231673 HYUQKTMSZLWQBY-UHFFFAOYSA-N 521.408 4.880 0 40 KJAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C 34878610 LWJMYRHKZPURSK-WEYGHZABSA-N 506.676 4.944 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 39766966 ZOKINCUSUXQXQA-UHFFFAOYSA-N 524.058 4.513 0 40 KJAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1F 97959771 ZGLDSKHQBJQANL-KLNMSBESSA-N 581.629 4.887 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCC3(CC(=O)O)CCCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 97971835 WJWHEQSQXRAVBC-QFIPXVFZSA-N 538.641 4.700 0 40 KJAB biogenic CCCCCCOc1ccc(NC(=O)C[C@H]2C(=O)N(C3CCCCC3)C(=S)N2CCCN2CCC(C(N)=O)CC2)cc1 100153439 AMPCBYUPQOKHEU-NDEPHWFRSA-N 599.842 4.692 0 40 KJAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1 100419857 RBYSDTDGVGSKKI-UHFFFAOYSA-N 527.021 4.577 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(I)c3)cc2)c(C)c1 100448835 WSEGMSCANGVOME-UHFFFAOYSA-N 506.365 4.961 0 40 KJAB COc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)Nc4ccc(OC)c(OC)c4)S3)[C@H](c3ccccc3)C2)cc1 101294762 QQMVTUHMRJYXKH-OZXSUGGESA-N 544.633 4.890 0 40 KJAB CCc1nn2c(nnc3c(=O)n(NC(=O)COc4cccc5ccccc45)ccc32)c1-c1ccc(Cl)cc1 102352853 DAMMLEHGTDFTBK-UHFFFAOYSA-N 524.968 4.624 0 40 KJAB Cc1cc(C(=O)COC(=O)c2cc(S(=O)(=O)NCC(C)C)c(Cl)cc2Cl)c(C)n1C[C@@H]1CCCO1 103136298 FATYSPXAZRBPMK-KRWDZBQOSA-N 545.485 4.565 0 40 KJAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 104069940 DRALDEYSNGRUOW-JSKGELSMSA-N 586.800 4.546 0 40 KJAB CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 106301857 HQYCAZJGPOCLNT-SOFGYWHQSA-N 550.468 4.682 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OCc1ccc(I)cc1 106756671 HGNJXZIPCAWLAJ-HMAPJEAMSA-N 592.455 4.928 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(CN3CCCCC3)cc2)c2cccc(Cl)c2)cc1 139878424 PATWDTPJKDEMFW-UHFFFAOYSA-N 542.101 4.846 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 222543770 PVEZFGBEAYRFAR-IBGZPJMESA-N 548.492 4.660 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 222753512 UKLXBJMFCIWXRR-DEOSSOPVSA-N 565.736 4.921 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)c2ccccc2)cc1OC 222766112 POMKRSSRMBYPDE-QHCPKHFHSA-N 581.735 4.540 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 222809813 KOGOOMZLWKEOCL-MHZLTWQESA-N 602.153 4.885 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 223128299 ZUVWHIFELQUPPJ-DEOSSOPVSA-N 548.492 4.742 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 223202088 GZAZYYNRRQOEEK-XMMPIXPASA-N 565.589 4.593 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 223203237 YCHMDDAPXWRZCP-XMMPIXPASA-N 546.064 4.536 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223217377 JIECGFIIYTZTLG-OAQYLSRUSA-N 618.127 4.779 0 40 KJAB CC(C)CNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223325244 VLVDLTBGPOXXAN-PMERELPUSA-N 547.721 4.602 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 223605608 RUSWVEDSDFEUKU-JOCHJYFZSA-N 572.127 4.714 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 223694508 JLILNQBDFNDVFN-JOCHJYFZSA-N 572.127 4.796 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 223783959 FRZMQHSITZESGY-OAQYLSRUSA-N 560.091 4.845 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 223995313 COFHWWGTCOICNX-MUUNZHRXSA-N 611.761 4.631 0 40 KJAB O=C(O)c1cc(C(=O)O)cc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)c1 224031102 LJFCYLQZIWHPNK-ZEQRLZLVSA-N 529.530 4.644 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 224116018 MBHIVWCAYGJABR-SFHVURJKSA-N 586.980 4.981 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 224141750 FUBSSACYIXTTJQ-AREMUKBSSA-N 586.552 4.896 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 224179056 OYJVOGVASKFZES-SANMLTNESA-N 549.737 4.997 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 224271746 VYSHCSKVKWWLBU-VWLOTQADSA-N 542.101 4.787 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 224384266 HDOBZWAAMCEPOI-QHCPKHFHSA-N 558.503 4.765 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2cccc(Cl)c2Cl)cc1 224394225 VSPVFNSNUYXTIK-UHFFFAOYSA-N 640.611 4.867 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O 224427803 WDJGQBPAYMUKOW-MHZLTWQESA-N 630.605 4.780 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 224430569 XHOLXANWQUCZHJ-VWLOTQADSA-N 595.762 4.787 0 40 KJAB CCCc1ccc(OCCNC(=O)[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3cc(Cl)ccc3O2)cc1 224513718 AIVJYEIBKQLKEV-AREMUKBSSA-N 529.058 4.752 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 224559655 WXGAQGHQRAQYID-LJAQVGFWSA-N 565.736 4.779 0 40 KJAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224611290 AVVFFMMZJBUXDS-MUUNZHRXSA-N 595.762 4.502 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(I)cc1 224844007 VJLZZGOSRSXPQU-QGZVFWFLSA-N 538.401 4.675 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224882880 VTDBSIGVWIAKCT-HHHXNRCGSA-N 569.699 4.609 0 40 KJAB CC(C)Oc1ccc(N(Cc2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 224907555 JEWMDWPRQZPJRT-UHFFFAOYSA-N 517.047 4.902 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c(OC)c1 224913270 CZFUXTWDYQGOHB-SFHVURJKSA-N 600.565 4.643 0 40 KJAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 225059717 IRZNESFRNHPCJZ-OAQYLSRUSA-N 560.091 4.660 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 225200360 DBPMVDJAIUHEPY-DEOSSOPVSA-N 552.112 4.810 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccccn2)cc1Cl 225252258 YVXGGFYKBUKOQV-UIOOFZCWSA-N 533.057 4.742 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225359969 TZEURVYMNRDYEM-QHCPKHFHSA-N 600.565 4.644 0 40 KJAB CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)cc1 225435067 UIYCPTIQQOHCFW-RRPNLBNLSA-N 563.705 4.828 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 225448517 KSECVKNNPAMXEH-LJQANCHMSA-N 592.943 4.770 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSCc3c(Cl)cccc3Cl)C2)cc1 225518813 ZZSCPXJSSORTDI-QGZVFWFLSA-N 501.501 4.752 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 225576775 QGBRBFCBQHWLFH-WJOKGBTCSA-N 569.727 4.885 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 225637802 DYMZIVRJFFOCJH-SFHVURJKSA-N 542.529 4.825 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1C 225708925 OLWWYRVBAIEGBV-QFIPXVFZSA-N 580.589 4.802 0 40 KJAB Cc1ccc(C)c(N(Cc2ccc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2)S(C)(=O)=O)c1 225744197 GGDKWUVXAZNXHA-JXMROGBWSA-N 517.695 4.741 0 40 KJAB 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260905614 OYRBYENDNOIWOG-JOCHJYFZSA-N 536.138 4.693 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c(OC)c1 260920692 GYYOBHMUGMLDCR-MUUNZHRXSA-N 616.180 4.536 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc(F)c1 260932114 PCSYSQIZZDGZBY-GDLZYMKVSA-N 565.711 4.681 0 40 KJAB CN(CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 261020160 VHTICJYHGNRVLE-SSEXGKCCSA-N 561.748 4.786 0 40 KJAB COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)cc1 408589500 IATGBKLMOLIQAQ-UHFFFAOYSA-N 542.919 4.964 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)CC1 408590362 GIAWDNIKMJBMSW-DEOSSOPVSA-N 576.944 4.649 0 40 KJAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1 408647568 SLOORVIFRNQKER-UHFFFAOYSA-N 520.538 4.565 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(OC(=O)c2cccs2)cc1 408649182 KTZVGILAFORTAP-CWGXUGAXSA-N 561.015 4.668 0 40 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PRGNYLODANJYSY-UHFFFAOYSA-N 509.031 4.654 0 40 KJAB CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 35330735 LYJVHKTYPOVPPK-AWEZNQCLSA-N 522.458 4.764 0 40 KJAB COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 60016727 AZIOOEXJVXTQBX-SFHVURJKSA-N 533.046 4.747 0 40 KJAB CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)c1nc2cc3c(cc2s1)OCCO3 60210091 OTPKLCQVHQMUFI-HXUWFJFHSA-N 572.753 4.619 0 40 KJAB O=C(c1ccc(Br)cc1)N1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1 96021845 IQNFYCWOUSSIIQ-UHFFFAOYSA-N 557.091 4.665 0 40 KJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)Nc3ncc(Cl)cc3Cl)cc2)c1 97982498 VVONLRZBMKJRPL-OAHLLOKOSA-N 522.410 4.990 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)c3ccccc3NS(=O)(=O)c3cc(C)ccc3C)c2)cc1 97982904 SYBLLUBSOKFMAY-UHFFFAOYSA-N 581.672 4.872 0 40 KJAB O=C(N[C@@H](Cc1cccnc1)C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O)OCC1c2ccccc2-c2ccccc21 98007941 GOLHDODAYNQSMY-LJAQVGFWSA-N 557.610 4.920 0 40 KJAB 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CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 223257227 KMFXJACLERICIQ-JOCHJYFZSA-N 555.672 4.718 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1)Cc1ccccc1 223297877 KJFODXHEDCMXEW-WJOKGBTCSA-N 555.700 4.535 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223612124 IBLBCDXTAUVHEN-NDEPHWFRSA-N 535.710 4.914 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 223727162 MEZCYEQNDHEKPP-KDYSTLNUSA-N 574.118 4.800 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223846889 IDZZORVNHJDBEY-INIZCTEOSA-N 560.931 4.889 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 223913911 CSWXEIGCVHZRMG-INIZCTEOSA-N 548.920 4.746 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 223989411 HQURVCLVUFTFOV-SFHVURJKSA-N 570.539 4.634 0 40 KJAB 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KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 409021948 AWTCLMOWPOWIKC-FVCLRIMASA-N 597.096 4.580 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3\C(=O)N(CC)c4ccc(Br)cc43)c(=O)n2[C@H]1c1ccc(OCC)cc1 409145098 MSJSGKLEHFLDOS-WPRNYWBVSA-N 658.574 4.834 0 40 KJAB CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1OC 409223178 FNDMDYDRZTTYIQ-WOJGMQOQSA-N 523.348 4.618 0 40 KJAB CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc5c(c4)OCCO5)C3=O)cc2OC)cc1 409265543 TUZTYCJLHONQIZ-DICXZTSXSA-N 603.653 4.721 0 40 KJAB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)C1=O 409273688 LBJBALTXLIFGEO-ZRGSRPPYSA-N 584.610 4.692 0 40 KJAB CCCOC(=O)c1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(Cl)c(Cl)c3)n2CC)c1 409366225 ZHLAVPWTYDIWLP-UHFFFAOYSA-N 550.468 4.832 0 40 KJAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cccc(C(F)(F)F)c3)CCO2)C1=O 643557884 YVPBLALBBWIAJD-SANMLTNESA-N 504.549 4.571 0 40 KJAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2c(n3S(=O)(=O)c3ccc(OCC)cc3)CCCC2=O)cc1 677867 AUQZLUVFYZAWAH-UHFFFAOYSA-N 568.673 4.996 0 40 KJAB CCc1ccc2[nH]c(=O)c(CN(CCc3ccc(OC)c(OC)c3)Cc3nnnn3C3CCCCC3)cc2c1 925949 OQBNXJVYLNEDAL-UHFFFAOYSA-N 530.673 4.844 0 40 KJAB COc1cc2c(cc1OC)[C@@H](c1c(O)n(-c3ccccc3)c(=S)n(-c3ccccc3)c1=O)N(C(C)=O)CC2 2140291 PMLKTFBDNKRBHD-SANMLTNESA-N 529.618 4.574 0 40 KJAB biogenic CCOC(=O)c1c(C2CC2)csc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C 2633885 ZRPNQUKPMKVICL-UHFFFAOYSA-N 507.037 4.894 0 40 KJAB O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O)NCCc1ccccc1 2968752 VALGFLRZRLBIMD-QHCPKHFHSA-N 503.027 4.981 0 40 KJAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@@H](C(C)(C)C)C3)c1 3244416 RJNKKIKVCJYFRL-GOSISDBHSA-N 532.593 4.755 0 40 KJAB Cc1c(NC(=O)[C@H](C)OC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c(=O)n(-c2ccccc2)n1C 3253256 ZPLSOJNQCNHGJU-KRWDZBQOSA-N 539.514 4.826 0 40 KJAB CCOCCCNC(=O)[C@@H](c1ccc(C)cc1)N(Cc1cccs1)C(=O)c1ccc(NC(C)=O)cc1 8591176 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COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)cc1 13029460 XKHXPIWREJQVDI-GDLZYMKVSA-N 511.626 4.577 0 40 KJAB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1 13110216 AUAMHIPMWDHJOX-VAWYXSNFSA-N 512.353 4.792 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 22278026 DQOYAWZJIOMGNE-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c(Cl)c1 22428131 JGHKLYRZOSWNOM-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB COc1ccc(CNC(=O)c2ccc(N(Cc3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)cc1OC 22515169 ZCAZCCNWGOKIEP-UHFFFAOYSA-N 523.438 4.907 0 40 KJAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CCCN(C)C)c2nc3cc4c(cc3s2)OCCO4)cc1 38139115 FXCHASBGXIINSJ-UHFFFAOYSA-N 594.759 4.877 0 40 KJAB CC(C)(C)NC[C@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 49774750 WMBNVWVJUNVWED-AWEZNQCLSA-N 548.206 4.753 0 40 KJAB Cc1ccc(-n2nnc3c(N4CCN(C(=O)c5cc(C(F)(F)F)cc(C(F)(F)F)c5)CC4)ncnc32)cc1 59522592 RTHNOHJOORCWDF-UHFFFAOYSA-N 535.452 4.519 0 40 KJAB COc1ccc([C@@H](C)NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1OC 59929034 FOFYZYYSXCFLCH-GOSISDBHSA-N 533.046 4.580 0 40 KJAB CC(C)(C)C(=O)/C=c1\s/c(=C\c2ccc(OCc3ccccc3)cc2)c(=O)n1CC(=O)N[C@H]1CCCc2ccccc21 97982259 HQAGZOVUZHVILY-FOOWTCHCSA-N 580.750 4.907 0 40 KJAB CCc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc(NCc4ccccc4OC)c4ccccc4n3)CC2)cc1 100035943 SIERXDOAUHGFQW-JOCHJYFZSA-N 545.709 4.880 0 40 KJAB COc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)c1OC 100363842 KXMOYYCQYHDOMN-HHHXNRCGSA-N 547.681 4.729 0 40 KJAB CC[C@H](Sc1nc2cc(OC)c(OC)cc2c2nc(CCn3nc(C)cc3C)nn12)C(=O)Nc1ccccc1F 101308252 QYAZGQZBRPIHEX-DEOSSOPVSA-N 563.659 4.999 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)c2ccc(F)cc2)cc1 150434594 CJOBBAVFRJPZFY-UHFFFAOYSA-N 643.715 4.876 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)C1=O)N1CCOCC1 214658550 HKEWEXNYHWRMBK-WGOQTCKBSA-N 511.603 4.738 0 40 KJAB Cc1ccccc1[C@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)c1ccccc1 215970740 HZXQNCJRQCJGFF-SSEXGKCCSA-N 528.630 4.867 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 215996518 ZAEKASCCPQYTRT-UHFFFAOYSA-N 598.530 4.621 0 40 KJAB C[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 216071923 YRUOANFZBRBOFV-ZHRRBRCNSA-N 566.315 4.979 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c1 222643010 GBJBBHUUIBMNGB-NDEPHWFRSA-N 570.155 4.827 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)cc1C 222764481 MRUYCBLQQNVZSX-LJAQVGFWSA-N 567.727 4.621 0 40 KJAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c1 223098860 YHDOFEDVZFGWBM-GOSISDBHSA-N 533.046 4.747 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223113977 DCAOVPAGGFYARN-XZOQPEGZSA-N 569.699 4.503 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 223219386 QWUCWMKMEUVSND-WOJBJXKFSA-N 566.562 4.671 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 223247791 PKKSHNZTIZBKQS-XMMPIXPASA-N 553.700 4.971 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 223352601 IUQPDMSJOYUFSK-MRXNPFEDSA-N 640.371 4.698 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223565093 ZQXWAADCRGGCKI-MHZLTWQESA-N 521.683 4.606 0 40 KJAB COc1ccc(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 223575514 HKIOEEPHCRDMJJ-UHFFFAOYSA-N 510.656 4.692 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccccc3C(C)(C)C)Oc3ccc(C)cc32)cc1 223716076 WIDJTTMTOWCKTF-MHZLTWQESA-N 522.667 4.752 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 223871800 GOLOYCYJCCOENA-QFIPXVFZSA-N 588.554 4.500 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 223952291 JADYVIJFRUIBQD-INIZCTEOSA-N 560.931 4.889 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1C 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CC(=O)Nc1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408656139 LSUXRJPBENTOJO-HVJZFTSCSA-N 548.426 4.567 0 40 KJAB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@H](C)c2ccccc2)C3=O)cc1 408691008 XRRQGIFFXVAMKW-LJQANCHMSA-N 528.561 4.652 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc(N2CCOCC2)cc1 408706203 XDFKIOXTILODPA-UHFFFAOYSA-N 505.518 4.595 0 40 KJAB CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)C1 408978917 OPDUDOHKKRSGQN-FQEVSTJZSA-N 509.614 4.866 0 40 KJAB Cn1c(O)c(C(c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S 409090963 RXIWHADXLNPBTF-UHFFFAOYSA-N 625.531 4.836 0 40 KJAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OCc1ccc(F)cc1 409107674 SKSDKDYYGPFTKS-WSDLNYQXSA-N 615.399 4.858 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1OCc1cccc(C)c1 409150999 FUOKBWQRQKAHEM-ROTLSHHCSA-N 532.574 4.986 0 40 KJAB CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)c(=O)n21 409156795 MAVANKBIDFAFCG-GVMLUORFSA-N 593.057 4.809 0 40 KJAB COC(=O)[C@@H]1NC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)[C@@H]2C(=O)N(Cc3ccc(Cl)cc3)C(=O)[C@@H]12 409192745 AFHNAIFQDYZZKQ-XPWALMASSA-N 543.834 4.837 0 40 KJAB Cc1ccc(NC(=O)COc2ccc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)cc2Br)cc1 409240596 QPVQCHCTXUYGBZ-HYARGMPZSA-N 520.383 4.868 0 40 KJAB COc1cc(/C=C2/SC(=O)N(C)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 409274800 YCFYWNCUSTULFH-CAOOACKPSA-N 511.781 4.795 0 40 KJAB COc1ccccc1CNC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C)cc1 409316434 QDULGWQBAYAJIX-UHFFFAOYSA-N 507.439 4.818 0 40 KJAB CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1OC 409338993 CYESVDUMWQRAEB-ZDLGFXPLSA-N 630.844 4.570 0 40 KJAB C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 409390754 LIAZPALWIJDPLX-IBGZPJMESA-N 532.493 4.594 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(OCc4ccc(C(=O)O)cc4)ccc4ccccc34)C2=O)o1 409398678 FTRWMEWTRICQBS-UCQKPKSFSA-N 526.501 4.590 0 40 KJAB O=S1(=O)C[C@H](NCc2ccccc2)[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 575420649 DFCQFAAINMRJNK-KYJUHHDHSA-N 552.762 4.881 0 40 KJAB O=C(C1CN(C(=O)C2CCCC2)C1)N1CCN(Cc2ccccc2)CCCNc2ccc(Br)cc2C1 643569591 KXTLIQHLHRFFDH-UHFFFAOYSA-N 553.545 4.744 0 40 KJAB CCOc1ccccc1C(=O)NN1C(=O)c2cc(I)ccc2N[C@H]1c1cccs1 668929 OZRCZCLDKXFRKZ-LJQANCHMSA-N 519.364 4.663 0 40 KJAB CC1=C(C(=O)Nc2ccc(I)cc2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 944342 UJZQGFHNQZIQLA-MRXNPFEDSA-N 502.139 4.865 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2ccccc2C)cc1 1372534 FHABSDDXLNOIQX-WJOKGBTCSA-N 533.632 4.835 0 40 KJAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 1401069 RKVGBCUNRWFHCK-UHFFFAOYSA-N 500.979 4.941 0 40 KJAB CCCCOc1ccc(CNC(=O)CCSc2nc3sc4c(c3c(=O)[nH]2)CC(C)(C)OC4)cc1 1875870 DIOQXRMYDGUMNL-UHFFFAOYSA-N 501.674 4.813 0 40 KJAB Cc1c(CC(=O)N[C@H](Cc2c[nH]c3ccc(O)cc23)C(=O)O)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 2129859 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CCC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 13499384 ISDAOSNIPIAPJJ-QHCPKHFHSA-N 520.609 4.724 0 40 KJAB Cc1nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c(=O)c1Cc1ccc(Br)cc1 13611825 PLKSBWRQTKPCAL-UHFFFAOYSA-N 507.354 4.777 0 40 KJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2Cl)c1C 14155556 WKXGAMUTAPRNLR-UHFFFAOYSA-N 502.011 4.859 0 40 KJAB CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)c(Cl)c2)n2c1C[S@@](=O)C2 16941340 HMIFLJCYXXUQGV-XIFFEERXSA-N 516.447 4.951 0 40 KJAB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N[C@@H]1CCCc2ccccc21 20011633 QPRVIGSVVOTMDR-XMMPIXPASA-N 513.457 4.834 0 40 KJAB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccc(Br)cc4)cc3)CC2)cc1 21124813 NNFZMPKKWNLBJN-UHFFFAOYSA-N 522.443 4.991 0 40 KJAB Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C 28704875 QAGYKUNXZHXKMR-QTYFXCGKSA-N 567.796 4.748 0 40 KJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)cc2)c1 59858094 KHYUHEBRQMQJJM-UHFFFAOYSA-N 535.647 4.873 0 40 KJAB Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1 59887028 FQRZNRWVBUDVBC-UHFFFAOYSA-N 549.674 4.938 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3Cl)cc2)cc1Cl 60028721 OWLSQGXQDCQMKY-UHFFFAOYSA-N 528.439 4.726 0 40 KJAB O=C(c1cccc(Cl)c1)c1cc(Br)ccc1NC(=O)c1[nH]ncc1C(=O)N1CCCCC1 95944704 BQWNAHXKULZOQX-UHFFFAOYSA-N 515.795 4.935 0 40 KJAB CCCN(CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1C)CC(=O)Nc1ccc(Cl)cc1Cl 97981563 UBIVJZZQHBBSCM-UHFFFAOYSA-N 543.517 4.622 0 40 KJAB O=C1[C@H]2[C@H](C(=O)N1c1cccc(O)c1)C1(Br)c3ccccc3C2(Br)c2ccccc21 98042903 UMRPYHJSQBRMCB-LMHXZZLNSA-N 525.196 4.802 0 40 KJAB O[C@H](CNCc1ccco1)Cn1c2ccc(I)cc2c2cc(I)ccc21 98048132 AXYFIJOMOYTSGH-OAHLLOKOSA-N 572.184 4.747 0 40 KJAB CCCOc1ccc(N2C(=O)[C@@H]3ON(C)[C@H](c4ccc(OCc5ccccc5)c(OCC)c4)[C@H]3C2=O)cc1 102760420 OECCDGFCMGGDOV-JCYYIGJDSA-N 516.594 4.929 0 40 KJAB COc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CNC(=O)c1ccc(Cl)cc1 102992273 PZOVCJJKDIHPNY-UHFFFAOYSA-N 558.056 4.684 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(COc4c(F)c(F)cc(F)c4F)c3)c(=O)n2[C@H]1c1ccccc1 103252572 GFGARGOHIOHQOF-WGGJWLJESA-N 612.601 4.942 0 40 KJAB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1O 103891699 QHKODQDUGCDSDK-AQIZGWBQSA-N 563.448 4.935 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 222596283 PXNQUOYORHISJJ-DEOSSOPVSA-N 522.111 4.527 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 222611369 MAVWLNMTGOQWIN-DEOSSOPVSA-N 626.495 4.620 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 222684691 MXKZMKODANKJIV-HHHXNRCGSA-N 600.579 4.690 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 222688216 MQJGIXOBYPHMJF-HXUWFJFHSA-N 562.519 4.969 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 222806015 SJIKSLQFLVKQHF-DEOSSOPVSA-N 582.937 4.799 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223112458 ULFIPIAAPHHRJP-NHCUHLMSSA-N 603.688 4.509 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](CC)C(=O)NC)S(=O)(=O)c1ccc(C)cc1 223116581 CIKHBRKJXQLHJJ-SANMLTNESA-N 556.128 4.960 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 223217827 UEZDFPONGFSUJS-MUUNZHRXSA-N 570.155 4.971 0 40 KJAB O=C(NCc1ccccc1)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223369888 KHDMIFQNQLZTHQ-MGBGTMOVSA-N 648.181 4.826 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 223571659 ZUYIVCMNMYQYBV-NEKDWFFYSA-N 585.170 4.508 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 224059558 YDIKNKZACYERIA-DEOSSOPVSA-N 593.746 4.684 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c2cccc(Cl)c2)cc1 224092871 IUCGKAPFMVPTGI-QFIPXVFZSA-N 572.127 4.733 0 40 KJAB 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COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3cccnc3)c2C)cc1 225207304 QBULQUWKHCCBHJ-NSOVKSMOSA-N 526.666 4.705 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 225425260 TYMHNPUWKMHPFM-CLJLJLNGSA-N 549.737 4.873 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 225448164 GULVKWNKVOIIHG-QFIPXVFZSA-N 586.552 4.733 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225638211 HANJFMMCOFXGLZ-OAHLLOKOSA-N 568.445 4.720 0 40 KJAB COc1cccc(CN(C(=O)COc2ccc(C(C)C)cc2Br)[C@@H](C)C(=O)NC(C)C)c1 225661146 DKOSDZWKHHACCY-SFHVURJKSA-N 505.453 4.902 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 225669331 MZLMVSOWDCFJNH-HXUWFJFHSA-N 542.101 4.972 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 225678467 JDMOAHCGSLJJBJ-OAQYLSRUSA-N 560.091 4.864 0 40 KJAB CNc1nc(-c2ccc(OC)c(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4c(C)cc(C)cc4C)C3)c2)cs1 226049340 ZMDQDUYYJOUCMT-HXUWFJFHSA-N 528.700 4.825 0 40 KJAB C[C@@H]1C[C@H](C(=O)Oc2ccc([C@@H]3[C@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C(=O)[C@@H]4ON3c3ccccc3)cc2)N(C)N1 229861570 PJAHPKZIAHIBAP-CNFVFWEUSA-N 581.456 4.547 0 40 KJAB CC1CCN(CC(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N(C)Cc3ccccc3)C2)CC1 257249731 JJOCOFCYDQQUPN-IGKIAQTJSA-N 556.545 4.826 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260811496 SIZVSSXXNDKZQU-HSZRJFAPSA-N 557.757 4.670 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccccc3C(C)(C)C)Oc3ccc(C)cc32)cc1 260947559 WIDJTTMTOWCKTF-HHHXNRCGSA-N 522.667 4.752 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 261032674 JUJGXNZJHUFVMP-DFHRPNOPSA-N 586.154 4.524 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 261085621 RZZFDINMUBSLPA-HHHXNRCGSA-N 661.606 4.920 0 40 KJAB CS(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408544254 CDDYCEYFPRDCKC-UHFFFAOYSA-N 502.702 4.563 0 40 KJAB Cc1ccc(COc2ccc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)cc2Br)cc1 408550272 FJTSJBBJXGFRJQ-FYJGNVAPSA-N 515.429 4.995 0 40 KJAB O=C(COc1ccc(N2C[C@@H](C(=O)NCc3cccs3)CC2=O)cc1)Nc1ccc(Cl)c(Cl)c1 408580820 RNGPTTOFGMMMOQ-HNNXBMFYSA-N 518.422 4.742 0 40 KJAB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 408608587 ODCQEHNYEPKIOT-OAQYLSRUSA-N 562.475 4.736 0 40 KJAB O=C(Oc1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408658584 JTRAADFEAHQLPT-OLMNPRSZSA-N 501.366 4.632 0 40 KJAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)ccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 408658680 JZYVVCKEIGGBHH-XAVDNYKGSA-N 551.426 4.818 0 40 KJAB Cc1cc(Br)ccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408680610 ICZYEUWQRZOAIZ-CWZLYDKRSA-N 573.443 4.520 0 40 KJAB 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COC(=O)[C@@H]1NC(c2ccc(C(F)(F)F)cc2)(c2ccc(C(F)(F)F)cc2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12 409190067 VOIYYSNKHVSGLR-RJGXRXQPSA-N 592.492 4.927 0 40 KJAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)C1=O 409243643 ZHYGLRTUFBOFET-CIAFOILYSA-N 539.947 4.607 0 40 KJAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc(Br)c(C)c3C)n2C)cc1 409364435 XWWFOZBGBOOPLZ-MRXNPFEDSA-N 516.465 4.725 0 40 KJAB CC(=O)NC1CCN(C(=O)C[C@@]2(COc3cc(C)c(Cl)c(C)c3)CN(Cc3ccccc3Cl)CCO2)CC1 585283709 BWKAOJZBPIXREJ-LJAQVGFWSA-N 562.538 4.777 0 40 KJAB CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(C2CCC2)n1 604405836 WHZHWJXELWSJIY-JBKUBBTJSA-N 618.735 4.714 0 40 KJAB biogenic Cc1cccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N(Cc3cccs3)C[C@H]3CCCO3)c(=O)[nH]c12 782354 GBCLPBRXEJXPSY-YIXXDRMTSA-N 544.656 4.843 0 40 KJAB COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nc(COc3ccc(C)cc3)n[nH]2)cc1 3383770 ROODKOALWZLMRC-UHFFFAOYSA-N 503.584 4.684 0 40 KJAB CC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(=O)NC2CCCCC2)c1N 6074913 WBGBLQQUXDVPKA-SANMLTNESA-N 609.724 4.954 0 40 KJAB COc1ccc(C2=NN(CN3C(=O)C(=O)c4cc(Br)ccc43)[C@@H](c3ccc(OC)cc3)C2)cc1 7060002 IRLYWUBOJRDSGN-XMMPIXPASA-N 520.383 4.804 0 40 KJAB CCCC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 8432606 YAGHYOBBZABUMG-SVDFFXBZSA-N 522.601 4.863 0 40 KJAB COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)CN2N=N[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]42)[C@@H]3c2ccc(OC)cc2)cc1 8455013 XYCYZVLQYDBKSS-KFYWFBCGSA-N 604.667 4.820 0 40 KJAB O=C(CN1C[C@H](c2ccccc2)NC1=S)N(Cc1ccccc1)C1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCCC1 8695886 OQQCREZHFQWHSK-SSEXGKCCSA-N 597.785 4.735 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)S(=O)(=O)c2cc(C)ccc2OC)cc1 10300299 GPLVPWVJSOSULE-UHFFFAOYSA-N 519.019 4.898 0 40 KJAB Cc1ccc(=O)n([C@H](C(=O)c2ccc(F)cc2)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 12630209 QJCDINXVCCTSJI-SSEXGKCCSA-N 523.608 4.654 0 40 KJAB CCc1ccc([C@H](C(=O)NC(C)(C)CC)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)cc1 13032423 INCBYRZTVABZBK-MUUNZHRXSA-N 527.625 4.802 0 40 KJAB CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 13501218 KLWSOMFAQSAASI-RUZDIDTESA-N 514.630 4.772 0 40 KJAB CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC 13810815 MFMQLAJBLUGMMX-ZNZIZOMTSA-N 516.550 4.623 0 40 KJAB CCCCOc1ccc(S(=O)(=O)Nc2cccc(-c3ccc4nnc(-c5cccnc5)n4n3)c2)cc1 14058062 POUHFFCYOJHTJY-UHFFFAOYSA-N 500.584 4.833 0 40 KJAB COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)s2)cc1OC 16991962 XWUZVLISNOGKIA-UHFFFAOYSA-N 504.527 4.815 0 40 KJAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cc(-c2nn3c(C)nnc3s2)ccc1C 32126876 KCQMLMPTMVNROB-UHFFFAOYSA-N 507.428 4.912 0 40 KJAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Cl 59834111 VTTHCYHHEWJORN-FQEVSTJZSA-N 539.437 4.548 0 40 KJAB COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1)S(=O)(=O)c1ccccc1 59882622 OGWYKCSKFVTUIO-UHFFFAOYSA-N 565.673 4.638 0 40 KJAB C[C@@H](NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 59958259 LMYDLMNXDMYESB-MRXNPFEDSA-N 575.030 4.835 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 60028843 GSFGURNVKBIGGE-UHFFFAOYSA-N 543.026 4.589 0 40 KJAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 66123895 CIXYZNFDMNWESE-UHFFFAOYSA-N 528.472 4.644 0 40 KJAB CCOc1ccc(CCN2C(=S)N(c3ccc(F)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC 98003698 QMTMATJPKVOVMO-RUZDIDTESA-N 593.677 4.983 0 40 KJAB C=CC1=C(C)/C(=C\C2=C(C)[C@@H](CCC(=O)O)C(CC3=NC(/C=C4/NC(=O)C(C)=C4C=C)=C(C)[C@@H]3CCC(=O)O)=N2)NC1=O 100019102 KRAPUBRHQOHVHM-RXJXRUKPSA-N 584.673 4.828 0 40 KJAB in-vitro Cc1ccc(NC(=O)C[S@](=O)CC(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](C)C(=O)NC2CCCCC2)cc1 100331054 PFOKVHYJNNEZIW-KTVCTNRHSA-N 551.631 4.572 0 40 KJAB O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccc2c(c1)OCO2 100387742 PFVJRFSVZRJYBA-UHFFFAOYSA-N 550.509 4.564 0 40 KJAB COc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)Nc4ccc5c(c4)OCO5)S3)[C@@H](c3ccccc3)C2)cc1 101958507 NIPUPSVMESGDDN-RDGATRHJSA-N 528.590 4.602 0 40 KJAB O=C1[C@H]2N=NN(CC(=O)N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc12 101995398 PVXDJLRZJUVMAK-XNFLFYSQSA-N 528.572 4.511 0 40 KJAB Cc1cccc(CN2c3ccccc3-c3nc(SCC(=O)NCCc4ccccc4)ncc3S2(=O)=O)c1 102451638 QYWAIZQCUIFKJW-UHFFFAOYSA-N 530.675 4.612 0 40 KJAB Cc1ccccc1N1C(=O)[C@H]2[C@@H](c3sc(=O)n(-c4ccccc4)c3Cl)N(c3ccccc3)O[C@H]2C1=O 102736707 YFLRBLNXCVATHI-FDFHNCONSA-N 517.994 4.912 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 103903936 XHFQQMFUAYXKEB-QEYQTOMISA-N 543.714 4.613 0 40 KJAB COC(=O)c1cccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3cccc(OC)c3)C(C(=O)Nc3ccccc3)=C(C)N=4)o2)c1 111468358 ROOFKIHSPMZDHV-WWWKDLBZSA-N 605.672 4.929 0 40 KJAB C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O 136324534 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CCOc1cc(C(=S)N2CCN(c3ccccc3F)CC2)ccc1OCC(=O)Nc1ccc(OC)cc1 409271210 KNXXVCYAIFMAPP-UHFFFAOYSA-N 523.630 4.748 0 40 KJAB COc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2ccc(Br)c(Cl)c2)n1C 409347053 NLCSZHYRIVJFSP-UHFFFAOYSA-N 511.829 4.858 0 40 KJAB CCOC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)O)c1 409381757 JKEKTMNNGFVEIG-VXKWHMMOSA-N 574.369 4.644 0 40 KJAB CC(C)C(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(c3ncc(C(=O)O)c(COc4ccc(F)cc4)n3)CC[C@H]21 409412943 GXWPWKDMTQJCGM-DGWZTRNLSA-N 536.579 4.509 0 40 KJAB Cc1c(CN2CCC3(CCCn4cc(nn4)COc4ccccc4CNC3=O)CC2)[nH]c2c(C)cccc12 643568778 DVGOKWIMPVHSCA-UHFFFAOYSA-N 512.658 4.648 0 40 KJAB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCc1ccccc1Cl 641895 MKBNAOWZOOFASP-UHFFFAOYSA-N 507.837 4.610 0 40 KJAB COc1ccccc1CN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)Cc1nnnn1CCc1ccccc1 1373249 KEWPWKCWCFYVTK-UHFFFAOYSA-N 508.626 4.585 0 40 KJAB COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCCC(C)C)c(OC)c4)c(=O)n32)cc1 2665961 YGGJHNNAWWMAHZ-YNMQQHPQSA-N 564.704 4.629 0 40 KJAB C[C@@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 3278743 AMMKCBHUYWMSRC-GFCCVEGCSA-N 529.405 4.957 0 40 KJAB COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nnc1S[C@@H](C(=O)NC(N)=O)C(C)C 3431997 XEYKFNHDAJTDGN-RUZDIDTESA-N 531.638 4.834 0 40 KJAB O=S(=O)(O)c1cc(O)cc2c(Br)c(Br)c(Br)c(Br)c12 4266029 AMWUJHVBWLQTNQ-UHFFFAOYSA-N 539.821 4.842 0 40 KJAB biogenic C[C@@H](OC(=O)CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccccc2)cc1)C(=O)c1ccc(Cl)cc1 8451512 PTHJVCAERVQNDU-GOSISDBHSA-N 521.953 4.913 0 40 KJAB COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)CN2N=N[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]42)[C@H]3c2ccc(OC)cc2)cc1 8455016 XYCYZVLQYDBKSS-NQUDFESMSA-N 604.667 4.820 0 40 KJAB Cc1nnc(NC(=O)CSc2nnc(CNC(=O)C34CC5CC(CC(C5)C3)C4)n2C2CCCCC2)s1 8656663 MAPHLUHADYUPMP-UHFFFAOYSA-N 529.736 4.507 0 40 KJAB O=C(CSc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(C(F)(F)F)s1 8667138 SZDJWDFFPBIUQC-UHFFFAOYSA-N 508.956 4.742 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(SC)cc3)c(=O)n2[C@H]1c1ccccc1 9438770 RLGVWPRWNZZOJU-GRVBVBMHSA-N 512.656 4.658 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1 13024644 RYLWTGWOQPRNGQ-HHHXNRCGSA-N 515.614 4.528 0 40 KJAB COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)c1OC 13028818 JQBCILPHPUVXLW-MUUNZHRXSA-N 527.625 4.672 0 40 KJAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cccc(Cl)c1Cl 14412006 BVPWNODSDLMGNL-UHFFFAOYSA-N 511.358 4.738 0 40 KJAB Cc1cc2cc([C@H](c3nnnn3C(C)(C)C)N3CCN(c4cc(Cl)ccc4C)CC3)c(=O)[nH]c2cc1C 19973210 SSMXFJHQURXENN-RUZDIDTESA-N 520.081 4.760 0 40 KJAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2cccc(Br)c2)CC1 20018645 AIUULQOAFQMRKS-KRWDZBQOSA-N 523.493 4.859 0 40 KJAB CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 22277536 HCWOLEGQVAEFPZ-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N4CCC(C(=O)O)CC4)C(=O)N32)c1 38139979 YNEKLTQTLQODKL-LMSSTIIKSA-N 578.625 4.596 0 40 KJAB biogenic CN(C)c1cccc2c(S(=O)(=O)N[C@H](Cc3ccc(OS(=O)(=O)c4cccc5c(N(C)C)cccc45)cc3)C(=O)O)cccc12 53684190 LUBOPDUYHWABFG-MUUNZHRXSA-N 647.775 4.867 0 40 KJAB in-vivo COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)C[C@H]4c2cc3ccc(OC)cc3n(C)c2=O)cc1 85877782 OYLLBLZZPZNZBM-FQEVSTJZSA-N 539.540 4.779 0 40 KJAB biogenic Cc1nn(C)c2nc(C3CC3)cc(-c3nnc(S)n3-c3cnn(Cc4ccc(Br)cc4)c3)c12 97945306 AJTMOBRRFVHMEZ-UHFFFAOYSA-N 521.448 4.698 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 97947495 WOTHAYKLHDWWBL-VCLSCOGJSA-N 694.766 4.602 0 40 KJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COC(=O)[C@@H](NC(=O)/C=C/c1ccc(OC)cc1)C(C)C 97981260 CETGLUXCUQKLKS-OFVSUEPRSA-N 564.660 4.936 0 40 KJAB CCCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 100069934 UREFBEDUPPNTPO-UHFFFAOYSA-N 572.622 4.560 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)c1cccc(Cl)c1Cl 100094565 WZNFAACVMCHIMH-UHFFFAOYSA-N 582.531 4.996 0 40 KJAB CCOC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(Br)cc1 101993615 HWJSXQRKMJTQQU-KJWPAHLWSA-N 502.405 4.796 0 40 KJAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cc(Br)cc(S(=O)(=O)N2CCC(C)CC2)c1 102229175 UQESVSUUQWPPJN-UHFFFAOYSA-N 533.444 4.699 0 40 KJAB Cc1ccc(CNC(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2ccccc2C)S3(=O)=O)cc1 102451796 GEZRCAYMZBTBHK-UHFFFAOYSA-N 530.675 4.878 0 40 KJAB CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccccc3)C(=O)N12)C(=O)Nc1ccccc1OC 102738309 NKPUFEGQVZEFIC-AZGAKELHSA-N 569.687 4.901 0 40 KJAB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(I)cc5)c(=O)n42)c2ccccc2CC3)cc1 104657539 LKKZDNKZJDDLJE-GTWFGUSFSA-N 576.459 4.932 0 40 KJAB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(I)c(OC(C)=O)c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC 163286120 JMPBSSXQMMIDRV-IPAKXIGBSA-N 694.547 4.874 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 222472131 JXNMLHMVNJGDMS-NBGIEHNGSA-N 582.163 4.626 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 222473810 SSORPDFKGUFZAM-LJAQVGFWSA-N 634.154 4.693 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 222720948 POKHIJMUDGZXEQ-NRFANRHFSA-N 548.920 4.745 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 222744002 WKTJVLDMVVAJEE-LJQANCHMSA-N 608.544 4.678 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cc(OC)cc(OC)c1 222824276 GIMJOAIOCIHUQC-VWLOTQADSA-N 531.436 4.776 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 222945781 ZMHVKTCNGWYPSP-SFHVURJKSA-N 566.482 4.881 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 223086212 HVWNPNQCNPLOLO-ZLDCORIASA-N 565.780 4.782 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 223155732 XNQHOEKNAAJIGX-SANMLTNESA-N 542.101 4.706 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223430829 UKXGTOCXSDUXEQ-RUZDIDTESA-N 580.509 4.675 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223450855 OPMKJJLBXIALKB-JOCHJYFZSA-N 632.179 4.895 0 40 KJAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 223517069 JNARNVHAGXEZGS-PMERELPUSA-N 565.736 4.612 0 40 KJAB COc1cccc(N(CC(=O)Nc2ccc(Cc3ccncc3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 223573343 XWUGGVYRZYZQIU-UHFFFAOYSA-N 501.608 4.823 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 223799430 PMPHGGFBTQTUTE-JOCHJYFZSA-N 572.127 4.796 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223811937 BJKAABSHOUEZCA-ORZNUPDKSA-N 594.550 4.645 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 224017854 KMPDJDXIFDNJEE-VWLOTQADSA-N 577.747 4.983 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c2cc(C)cc(C)c2)cc1 224083424 FRXGUCQXFXPGOJ-SANMLTNESA-N 549.737 4.997 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 224489266 JKRYVURDBTUHFN-RUZDIDTESA-N 602.540 4.694 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224624416 LCTZVHANVCIQQF-LJAQVGFWSA-N 579.763 4.633 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 224726816 IYOAUXATLCIAEA-DEOSSOPVSA-N 527.731 4.716 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 224855949 FBUHFUIDCINCGP-AREMUKBSSA-N 576.546 4.924 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224909529 BWNKPFSKLCSDNQ-KRWDZBQOSA-N 546.492 4.622 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)N(C)C)c1 224920751 YOXTVRFGYMIYCF-LJAQVGFWSA-N 599.197 4.734 0 40 KJAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1 224938354 KXRQRDWZPKYBQM-QGZVFWFLSA-N 503.020 4.814 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)c1 224947973 WUQMXIJMWAYPGI-LJAQVGFWSA-N 565.711 4.599 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 224992718 SGXVRQKSPDLLRI-DEOSSOPVSA-N 595.737 4.938 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 225215338 PTYLMWJDVXPHQX-VWLOTQADSA-N 549.684 4.767 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 225216611 HBPAOQUJYYBJLF-XZOQPEGZSA-N 569.699 4.670 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225251406 KWKMHGSRDOPNRL-LJQANCHMSA-N 617.006 4.991 0 40 KJAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 225426683 OXIWKDPIDUZVPK-MHZLTWQESA-N 556.128 4.911 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 225498777 ZDUDOONARVOSSU-WJOKGBTCSA-N 569.727 4.885 0 40 KJAB Cc1[nH]c(C)c([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1I 225522406 LZQFSBPITXBUCC-FCHUYYIVSA-N 545.450 4.632 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 225531631 DHRSFEGQHMEFCS-UFHPHHKVSA-N 595.762 4.930 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 225550494 ROZXOGUZVGYBOZ-SQJMNOBHSA-N 536.138 4.917 0 40 KJAB C[C@H](NC(=O)c1ccccc1NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccccc1 225867170 NVGKBQHZGMKBEG-SFHVURJKSA-N 515.582 4.641 0 40 KJAB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(CC(=O)N2CCCC2)cc1 226019954 BMLQCPBQCVSDLD-UHFFFAOYSA-N 560.503 4.988 0 40 KJAB CCC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1cc2cc(OC)ccc2nc1O)C[C@H]1CCCO1 253500468 PWVBFMDASCZENJ-RSXGOPAZSA-N 502.619 4.506 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 260754918 RJEYINCOINAIJP-RUZDIDTESA-N 565.736 4.839 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 260763130 GLXHSRQJPINVTE-LJQANCHMSA-N 554.540 4.852 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1Cl 260802538 PIULGEJYKPHPLL-OAQYLSRUSA-N 564.148 4.761 0 40 KJAB Cc1cc(C)cc(N(CCCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 260802720 PSRBUXOQILZGEV-HSZRJFAPSA-N 545.721 4.855 0 40 KJAB CC(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NCCc1ccc(Cl)cc1)O2 260853360 XILYTSRHVHMIEH-RUZDIDTESA-N 513.059 4.953 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)NC)S(=O)(=O)c2ccc(SC)cc2)cc1 260855877 FNLBKDBHXJFROL-MUUNZHRXSA-N 583.776 4.864 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 260944037 JAYXQVUXAHHNNC-CVEARBPZSA-N 566.017 4.596 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 260954864 GDJUKLIMEZDNQR-OAQYLSRUSA-N 534.122 4.671 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 260970938 MLGZWXLZKSLNHU-YKSBVNFPSA-N 585.598 4.945 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 261006588 SSWJTBHOVGZKLX-HSZRJFAPSA-N 535.710 4.776 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 261032659 JUFQBBUZINOPHO-WNJJXGMVSA-N 563.764 4.933 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC)S(C)(=O)=O 261037430 KGOBJRVABHYEDA-FYBSXPHGSA-N 563.764 4.878 0 40 KJAB CCC[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](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC 299872190 RQYGKZGKXDOUEO-ONLNQCGCSA-N 806.047 4.863 0 40 KJAB in-vitro COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccccc2I)cc1OC 408564244 UDFRSFIPODHPCY-UHFFFAOYSA-N 530.362 4.533 0 40 KJAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 408617807 DFOKVTNIPQQTOS-UHFFFAOYSA-N 547.721 4.564 0 40 KJAB COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)S(C)(=O)=O)cc1Cl 408712590 YBSGVZPJJHTZKR-UHFFFAOYSA-N 566.101 4.643 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3OC(C)C)c(=O)n2[C@H]1c1ccccc1Cl 408825329 BEBSPXXIPHDJIA-JUTHHCEFSA-N 652.938 4.852 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408830994 UPYMOLIFJPGOCJ-ZMUHTPIZSA-N 659.864 4.691 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCC)c(Br)c4)c(=O)n32)cc1OCC 408935804 NVCWQHYYEQWZHH-TYBHGIAWSA-N 621.937 4.630 0 40 KJAB CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)c2ccccc12 408941845 KMRNRYINXYXPGC-QARYAGPDSA-N 549.048 4.622 0 40 KJAB CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc(I)c1O 408949367 LKWVHXPUDZIMDJ-GSOQPGDSSA-N 713.388 4.667 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OC(C)C)c(=O)n2[C@H]1c1ccc(Cl)cc1 409019593 URDLFZAKPUDXJE-RQLGBQGVSA-N 531.461 4.892 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O[C@H](C)CC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409031565 HDTFUPVFTRUXBQ-PUTUQLKCSA-N 594.730 4.780 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)Cc2ccc(Cl)cc2Cl)cc1 409062093 NHGXMTMHMVLXGN-UHFFFAOYSA-N 550.483 4.981 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 409129378 GGLVWNUGPSALIW-OAHLLOKOSA-N 502.438 4.591 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C3/C(=O)N(C(C)C)c4ccccc43)c2=O)=N1 409139242 ANBZYPFTXRQOSJ-CZNAVJSXSA-N 569.086 4.653 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)ccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1ccccc1OC 409195451 UROYOIJBKIEEKG-YNMQQHPQSA-N 620.127 4.812 0 40 KJAB CC1=CC[C@@H]2C[C@@H](C[C@]3(CC[C@H](C)[C@@H](C)O3)O2)OC(=O)[C@@H]2C=C(C)[C@@H](O)[C@H]3OCC(=CC=C[C@H](C)C1)[C@@]23O 936069735 ZLBGSRMUSVULIE-VZNQFYAUSA-N 528.686 4.534 0 40 KJAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2)C2CCCCC2)cc1 659668 WZKRAXNEOYYMBE-UHFFFAOYSA-N 512.413 4.562 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccco3)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2c1 1382411 DMSRGPGSUGHBHJ-AREMUKBSSA-N 563.584 4.649 0 40 KJAB CCOCCOC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C(F)(F)F)oc2c1 1770230 KMLVQXBWLDKBAX-AWEZNQCLSA-N 510.461 4.843 0 40 KJAB CCCOC(=O)c1cccc(NC(=O)c2c(C(=O)Nc3ccccc3)sc3nc(CCC)cc(=O)n23)c1 2887900 UGEYAEZLCAPXCA-UHFFFAOYSA-N 518.595 4.780 0 40 KJAB O=C(OC[C@@H]1OCO[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 5338924 SYUZILZXCNKMFW-XHPANXIASA-N 610.615 4.893 0 40 KJAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCC(Cc4ccccc4)CC3)cc2c1 6282726 SYGXAWHQTPUJOG-GDLZYMKVSA-N 538.627 4.755 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccccc3Br)n2C)sc(C(C)=O)c1C 6599396 TXBOXMDACNBZDT-UHFFFAOYSA-N 537.461 4.725 0 40 KJAB Cc1cc(C)c(NC(=O)CSc2nc3ccc(Nc4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3s2)c(C)c1 8438211 GUMMGYVJWPVMHD-UHFFFAOYSA-N 606.778 4.554 0 40 KJAB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 9332422 FLGOUJZMAHKHJV-SSUZURRFSA-N 512.949 4.664 0 40 KJAB CCN1C(=O)c2cccc3c(NC(=O)c4ccc(S(=O)(=O)N5CCc6ccccc6C5)cc4)ccc1c23 12377483 LGOJXDISQNDLON-UHFFFAOYSA-N 511.603 4.819 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1)N(C(=O)CNC(=O)c1cccs1)c1ccc(C)cc1 12488667 NAUVZIISIDMJOW-VWLOTQADSA-N 507.656 4.874 0 40 KJAB COc1cc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C(C)=O)c2)cc(OC)c1OC 13026187 WHHKPRDJJQZCDQ-SANMLTNESA-N 520.582 4.955 0 40 KJAB CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 13495209 GFZOZWMCRTUITJ-QHCPKHFHSA-N 518.618 4.551 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2O)C1=O)Nc1cccc(C(F)(F)F)c1 15049631 IOFCUTQJQHEBFU-CHHVJCJISA-N 501.280 4.849 0 40 KJAB CCOc1cccc(CNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)c1 20493542 RLVRGQJYQQKAED-UHFFFAOYSA-N 506.546 4.924 0 40 KJAB COc1ccc(CNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC 59835911 DYWPPXBOXSHVKT-UHFFFAOYSA-N 537.465 4.560 0 40 KJAB CC(C)[C@]1(C(=O)Nc2ccccc2)C(=O)N(CC[C@@H](O)C[C@@H](O)CC(=O)O)C(c2ccc(F)cc2)=C1c1ccccc1 72130193 IJPSBDFKAGUGAN-SJQIOTTESA-N 574.649 4.794 0 40 KJAB in-vitro COc1ccc(NC(=O)CSc2nnc3n(-c4ccccc4)c(=O)c4c5c(sc4n23)CCCC5)c(OC)c1 97952683 DWBPEAJGCQTSTO-UHFFFAOYSA-N 547.662 4.722 0 40 KJAB COc1ccc([C@@H]2N(C(=O)CSc3nc4cc(C)ccc4[nH]3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 98008216 MIWSKCXEPRDSSE-AREMUKBSSA-N 536.679 4.512 0 40 KJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100281610 FCGAJNUNYXGWCN-FLRAOKLBSA-N 514.931 4.962 0 40 KJAB CCOc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2cccc(F)c2)cc1OC 100366710 NESUEZFHFARCFR-GDLZYMKVSA-N 547.631 4.915 0 40 KJAB O=c1/c(=C/c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)sc2nc3ccccc3n12 101056299 BUJQJMSUHGUNEJ-UNOMPAQXSA-N 592.290 4.750 0 40 KJAB COc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)Nc4ccc(C(=O)O)cc4)S3)[C@@H](c3ccccc3)C2)cc1 101155949 WTAOFKRLBUJZJI-DNQXCXABSA-N 528.590 4.571 0 40 KJAB COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1 101182685 DMXMMMPKGRBCHA-LIONHTAISA-N 533.506 4.868 0 40 KJAB CC(C)C[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 101497367 QKVFMUSRIBHIJA-SCSDCZBSSA-N 540.623 4.920 0 40 KJAB Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Oc3ccc4c(C(F)(F)F)cc(=O)oc4c3)CC2)cc1 101969285 WLOJMBXIJODYLF-CALCHBBNSA-N 523.529 4.811 0 40 KJAB O=C1[C@@H]2[C@H]3C[C@@H]([C@H]4[C@@H](c5ccc(O)cc5)c5sc(=O)[nH]c5S[C@H]43)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 102411341 FELUIYKQARLEKP-QDWVOHSCSA-N 544.576 4.839 0 40 KJAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3ON2c2ccccc2)cc1Br 102759405 DZNKLUCVFPQYRL-DNVJHFABSA-N 509.356 4.517 0 40 KJAB CCOc1ccccc1C(=O)[C@H]1[C@H]2CCCN2[C@]2(C(=O)Nc3c(C)cc(C)cc32)[C@]12C(=O)Nc1ccccc12 102770115 SFJVDJKWVJXRMO-OCMZCUFDSA-N 521.617 4.717 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1Br 102871332 UJUIGLRGHINTOY-YAOOYPAMSA-N 587.426 4.627 0 40 KJAB CCOc1ccccc1Nc1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)s1 103069962 DRDRIJGIEMCAON-UHFFFAOYSA-N 533.701 4.586 0 40 KJAB COc1ccc(NC(=O)COC(=O)c2cccnc2SCC(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl 103074105 NEOCUNKASXGFBK-UHFFFAOYSA-N 550.420 4.932 0 40 KJAB Cc1ccc(N(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)C(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1Cl 107678001 OBFLJENJCGJFJA-BHIFYINESA-N 526.420 4.597 0 40 KJAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Br)cc4)c(=O)n32)c1 111468760 OBGDLSCGKONWSE-LWUPDDLQSA-N 560.473 4.645 0 40 KJAB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4cccc(I)c4)c(=O)n31)c1ccccc1CC2 142866629 RXBIQVXTAKQVKR-SJJVXOANSA-N 576.459 4.932 0 40 KJAB O=C1[C@@H]2N=NN(CC(=O)N3N=C(c4ccc(Br)cc4)C[C@H]3c3ccccc3)[C@H]2C(=O)N1c1ccc(Br)cc1 150668504 DUQMRMWKDYJZPV-ICDZXHCJSA-N 636.304 4.883 0 40 KJAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCC(=O)NCCCN2CCOCC2)cc1 199412209 FXTVHDLIAGBMSL-YTTGMZPUSA-N 536.676 4.917 0 40 KJAB Cc1cccc(C)c1N(Cc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1)S(C)(=O)=O 222604209 CKWVRAUAULJFTM-MDWZMJQESA-N 517.695 4.741 0 40 KJAB Cc1c(Cl)cccc1N(CCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 222670079 ACLIFAKGEWNBBS-FQEVSTJZSA-N 522.111 4.527 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222731746 UQUICXZSMVEQML-NRFANRHFSA-N 566.910 4.884 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 222751543 LFRQNEYCBMDDTE-GFCCVEGCSA-N 574.836 4.595 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 222937487 WIMUURZHTSOMHJ-OAHLLOKOSA-N 548.920 4.599 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 223009349 VUMJFRNFYJWDHV-IBGZPJMESA-N 592.943 4.851 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 223112042 OQEAFDBJULMJTF-XMMPIXPASA-N 592.943 4.851 0 40 KJAB CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 223384545 ZCDULYMWHMGAQY-LJAQVGFWSA-N 568.139 4.963 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 223400420 ISECGBJMDKPYAY-MUUNZHRXSA-N 570.155 4.971 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Br)cc1Cl 223503861 MXICHDMSKUIBAC-INIZCTEOSA-N 511.844 4.824 0 40 KJAB COc1ccc(CNC(=O)[C@H](c2ccccc2)N(Cc2ccc(OC)cc2)C(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 223511323 JWJSSVWWECJVNC-XIFFEERXSA-N 615.752 4.552 0 40 KJAB COc1ccc(OCCNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 223753147 FXUUQMHRMOGNRT-UHFFFAOYSA-N 516.619 4.900 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 223885986 NQRAPSJWXIEPSD-NRFANRHFSA-N 555.647 4.636 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 224008253 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KTTYTNPBOLRIIL-UHFFFAOYSA-N 505.086 4.976 0 40 KJAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 225862616 GEBCKVGHLHRFCW-UHFFFAOYSA-N 554.097 4.617 0 40 KJAB COc1ccc(N(CC(=O)N2CCc3cc(Br)ccc32)S(=O)(=O)c2cc(C)ccc2OC)cc1 226056704 YUJGHWPOMUOGEJ-UHFFFAOYSA-N 545.455 4.559 0 40 KJAB CCc1ccc([C@@H]2[C@H](C(=O)OCc3ccccc3)C(=O)C[C@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1 253564363 GKIPAPMKVIHATA-WIXZECKYSA-N 500.591 4.776 0 40 KJAB CC[C@@H](C(=O)N1CCC(COc2ccc(Cl)c(C)c2)(CC(=O)N2CCN(C)CC2)CC1)c1ccccc1 257242176 IBKJWKGIZQCMMV-AREMUKBSSA-N 526.121 4.994 0 40 KJAB C[C@@H]1Cc2cc(C(=O)N3C[C@H](C(=O)NCc4ccccc4)Oc4ccccc43)ccc2N1S(=O)(=O)c1ccccc1 260833431 WLLHXZONWHQYTJ-YKGWIAGDSA-N 567.667 4.551 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)c1 260902529 VPNMOJGJTCOXDI-HSZRJFAPSA-N 539.673 4.580 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1Cl 260920766 HIELMEKUOJHCJZ-LJQANCHMSA-N 572.555 4.738 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 261005501 SJVDJLANISDYMX-RDGATRHJSA-N 515.720 4.607 0 40 KJAB Cc1cc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)ccc1Br 261045713 ZIHZWLCXTBZZJU-QGZVFWFLSA-N 572.953 4.509 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 261064948 OPGQJRJNUJECEA-DWACAAAGSA-N 616.180 4.678 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c2ccc(F)cc2)cc1 261117980 YVPWUNPKVHKFGE-YADHBBJMSA-N 587.689 4.891 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(OC)c(OC)c4)cc3)cc2)c1 408546603 FQEZVTZRZQQYIW-UHFFFAOYSA-N 641.724 4.599 0 40 KJAB COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1OC 408558249 IVMXJVHBXIWSPN-UHFFFAOYSA-N 539.437 4.549 0 40 KJAB CCCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(C)cc2Br)cc2cc(Cl)ccc21 408582183 VUVIWLBEBYNKRI-UHFFFAOYSA-N 505.800 4.604 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccc2c(c1)OCCO2 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc5c(c4)OCO5)cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409088224 WFTSODLSJYRSMG-ZTJHJZSNSA-N 663.546 4.877 0 40 KJAB Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCc4ccc(Cl)cc4)CC3=O)cc2)c(C)c1 409152379 AYGLWAPTLJHKHD-NRFANRHFSA-N 506.002 4.644 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OC(F)F)c(OC)c3)c(=O)n2[C@H]1c1cccs1 409152948 GNZADGLIZXFTKE-VOZFUJEASA-N 568.623 4.607 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC 409175373 YGEFWVYYCTZGTL-LICLKQGHSA-N 523.767 4.540 0 40 KJAB COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Br)cc1 409178849 IYKODATUHSMZHO-UHFFFAOYSA-N 528.742 4.951 0 40 KJAB CS(=O)(=O)CC[C@H](C(=O)OCC(=O)c1cccc2ccccc12)N1C(=O)c2ccc(C(=O)OCC(=O)c3cccc4ccccc34)cc2C1=O 409181162 YEJGOFZEOURPHM-JGCGQSQUSA-N 691.714 4.858 0 40 KJAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)C1=O 409216649 NENMJEZGTROEDW-HMAPJEAMSA-N 502.596 4.781 0 40 KJAB CCCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)C1=O 409235651 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O=C(NCc1ccccn1)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 223025589 KLGHTVZCCUAAAF-XIFFEERXSA-N 610.780 4.755 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 223172029 CTJGZEHNSOHJAF-LJAQVGFWSA-N 549.737 4.626 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 223665046 SYBBLKCPLAYKKZ-MHZLTWQESA-N 604.556 4.738 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 223809163 UJTSSLBKZVHATK-AJTFRIOCSA-N 630.605 4.779 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 223841132 WOVQREWYHFOBOU-QFIPXVFZSA-N 586.538 4.602 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O 223871342 DBCNACCFODLFBH-JOCHJYFZSA-N 572.555 4.882 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 223917063 NOFLYAGMVWNGHK-INIZCTEOSA-N 605.382 4.998 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 224147881 UKWHWDDZHGSRNA-LJAQVGFWSA-N 565.736 4.841 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 224234502 IEXZXOSJCTWNOI-HHHXNRCGSA-N 527.731 4.716 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 224248328 ADNYVRQASJIIFA-HHHXNRCGSA-N 572.127 4.796 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224398000 PAPOVWZRBALFQW-HHHXNRCGSA-N 658.615 4.890 0 40 KJAB CCOc1ccc([C@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(OC)c(OC)c2)cc1OCC 224582107 JLGAFPCSQZQXHR-LSOGNMMWSA-N 508.571 4.743 0 40 KJAB Cc1ccc(N(CC(=O)NCc2cccc(CN3CCCC3)c2)S(=O)(=O)c2ccccc2)cc1Cl 224595019 MEVYUCLWUTVUAR-UHFFFAOYSA-N 512.075 4.756 0 40 KJAB Cc1cccc(CN(C(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224817525 SHNYOWOIRUCBON-LJAQVGFWSA-N 585.717 4.984 0 40 KJAB 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CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](CC)C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 260929911 HLWZAPONKCKGQN-MHECFPHRSA-N 572.555 4.880 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)c1 260939867 ZVWAUNQBIRSZTQ-HSZRJFAPSA-N 599.725 4.536 0 40 KJAB CC(=O)c1cccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c1 260958755 XCMUKPQUNBOBCW-GDLZYMKVSA-N 642.616 4.830 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 260961141 LDGMXIHOPCNQNC-BTYSJIOQSA-N 581.735 4.621 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 260969420 MEAFGKNTYYIIPU-OZXSUGGESA-N 529.747 4.880 0 40 KJAB CN(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 260979014 KSDGGMZMHBQQTK-MUUNZHRXSA-N 586.129 4.799 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 260991303 PYNSILQFPWCDMU-GIGWZHCTSA-N 565.736 4.921 0 40 KJAB 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COc1cccc(CCc2nc(N3CCc4ccccc4CC3)ncc2C(=O)NS(=O)(=O)c2ccccc2Cl)c1 585265195 BDRKJVQCSPDMJS-UHFFFAOYSA-N 577.106 4.648 0 40 KJAB CCCN1CCCCN(S(=O)(=O)c2cccc(OC)c2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643562511 XYPIVETUHASWMT-RSXGOPAZSA-N 500.661 4.722 0 40 KJAB O=C1NCCOCCCCC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)COc2ccccc21 643571694 PPCWBPPWTRVYQB-UHFFFAOYSA-N 504.549 4.937 0 40 KJAB CCOC(=O)c1cccc(N2C(=O)[C@H]3C4c5ccccc5C(Br)(c5ccccc54)[C@H]3C2=O)c1 2068314 HMGAWUGCBUXVSE-XDJZYPBNSA-N 502.364 4.767 0 40 KJAB CC(C)C[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8788928 BWWGIHOLCZWJTG-QIAHQPDOSA-N 500.643 4.756 0 40 KJAB biogenic CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2cccc(OC)c2)cc1 9287984 GIXRCYPOSORHML-RUZDIDTESA-N 515.566 4.547 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 33355448 LKZRDRYLZOGMIT-UHFFFAOYSA-N 583.754 4.862 0 40 KJAB COc1ccc(CNC(=O)CCNC(=O)c2nc(SCc3ccc(Cl)cc3)ncc2Cl)cc1 41155466 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225641971 NEHGUFVMOSQXGN-PKTZIBPZSA-N 559.477 4.941 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccncc2)c1C 225661415 QLVRNCAXXKRNID-FQLXRVMXSA-N 540.693 4.953 0 40 KJAB CC(C)(C)c1ccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccccc3)n2)cc1 225753154 DDJCWSVKDDFGEE-UHFFFAOYSA-N 534.663 4.937 0 40 KJAB COC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)c1C 225787048 DIPQYPNWOFVXBT-UHFFFAOYSA-N 503.001 4.661 0 40 KJAB C[C@H]1C[C@H](C)CN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCc3ccc4c(c3)OCO4)n2)C1 226012944 FGVONODRIQAJNA-VXKWHMMOSA-N 559.740 4.501 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)c(C)c1 226041485 ZMAGXADPQWWURZ-YTTGMZPUSA-N 611.764 4.956 0 40 KJAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)cc1 248262237 WXYLWLJAXWRNRI-IFBUNOGVSA-N 525.051 4.776 0 40 KJAB Cc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)N(CCC(=O)O)CCc2cccc(Cl)c2)cc1 257335111 YIRYBKLXOWSGNQ-SANMLTNESA-N 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CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 224522912 PCCVSPALAOYVSE-HHHXNRCGSA-N 565.736 4.779 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 224647764 USOJLMGJNZCRDX-QFIPXVFZSA-N 539.673 4.525 0 40 KJAB COc1ccc(CCC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC2CCCC2)cc1OC 224727429 RHLXCYQHLKIBDI-SFHVURJKSA-N 517.464 4.875 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 224733914 VUSBTKRMMZCXRT-AREMUKBSSA-N 544.117 4.693 0 40 KJAB CCCc1ccc(OCCNC(=O)c2ccc(CN(c3cc(C)ccc3OC)S(C)(=O)=O)cc2)cc1 224767017 QSTRMCFJPXOHMB-UHFFFAOYSA-N 510.656 4.731 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 224819760 LUKBHAFFQMCZLI-QFIPXVFZSA-N 542.101 4.787 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 224951372 CIWJXMWSSQSAQA-LJAQVGFWSA-N 567.727 4.880 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 225077047 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CCCOc1ccc([C@@H]2CN3C(=O)CN(CCCn4ccnc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC 70701056 CGKDLWQKAKURCT-BNHRFMORSA-N 555.679 4.674 0 40 KJAB biogenic C[C@H](CCC(=O)N1CCO[C@@H](c2ccccc2)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 72325168 MZVGQAHOHUARLT-NPPUVOCISA-N 553.784 4.964 0 40 KJAB biogenic COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C 100360896 HRVATGAJHUBERB-CFRMEGHHSA-N 564.461 4.862 0 40 KJAB CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)cc2)cc1OC 100364469 NDYUOLCBCXZHAS-MUUNZHRXSA-N 545.640 4.536 0 40 KJAB COc1cc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 101147273 PXHSXXUPXFGWPL-ULNSLHSMSA-N 534.568 4.961 0 40 KJAB CC(C)[C@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]21 101609286 YWZHRYBPRQRKJJ-UJCZQSIQSA-N 526.596 4.530 0 40 KJAB O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 103090831 BRAVGXUCEGPOGP-UHFFFAOYSA-N 570.929 4.726 0 40 KJAB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(Br)c(O)c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC 104658550 IDYPLSCMTZYTGF-IYVASWNSSA-N 605.510 4.813 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1I 106031964 HTGYWDDJDRHFFN-UHFFFAOYSA-N 578.837 4.555 0 40 KJAB CC(=O)c1ccc(NC(=O)[C@H](SC(=S)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccccc2)cc1 113480666 OJTCWWYZSBPMCZ-NDIWIEOSSA-N 517.676 4.868 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163725157 FXVOHYAVDDNXIY-XGHXRCDJSA-N 678.854 4.616 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 164546644 UMNZFIZTHMLBNA-VEOZPNHKSA-N 682.536 4.653 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 222521202 HRQMDUMFUGEGJW-PMERELPUSA-N 607.679 4.555 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 222569481 DHMAEJZMETUTQR-NDEPHWFRSA-N 588.145 4.966 0 40 KJAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 222945848 PENCEGCRUUIFES-MRXNPFEDSA-N 504.992 4.943 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 223353686 FRSNAMRZJFDTHO-MHZLTWQESA-N 556.128 4.662 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223433392 OZKXEKUBMXUQBB-XMMPIXPASA-N 533.710 4.611 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 223694265 MUNDLKBGNCRRDK-NDEPHWFRSA-N 565.736 4.655 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 223816606 XUSVCQHKTYWGSD-XMMPIXPASA-N 540.101 4.749 0 40 KJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1Cc1ccncc1 223922932 BOTZXGBCVZOTRO-URLMMPGGSA-N 524.694 4.957 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 223956963 JXCDRLRZYHIMHY-LJAQVGFWSA-N 625.788 4.940 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223973465 OYYBTWAHAUZBHO-RUZDIDTESA-N 582.163 4.627 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 223980848 SPNNFGQDPFOCNB-RBISFHTESA-N 586.154 4.669 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c1 224086056 UHOPWLBMFJQPIP-VWLOTQADSA-N 607.773 4.726 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224156383 LLWACWFYWXNWSL-RUZDIDTESA-N 632.179 4.813 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 224293185 KDDSIWZSKOGGMA-JOCHJYFZSA-N 555.672 4.574 0 40 KJAB CN(C)S(=O)(=O)N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)c1ccccc1F 224314735 HOHYNIHKYFZAEU-MHZLTWQESA-N 603.160 4.647 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc(OCC)cc1)S(C)(=O)=O 224511627 AABGGCWGFJFYEA-XMMPIXPASA-N 572.555 4.882 0 40 KJAB C[C@H](C(=O)NCc1ccc(CN2CCCCC2)cc1)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 224528783 AHCDZCNGEYIQGL-QGZVFWFLSA-N 532.028 4.816 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 224560063 OBDCKBNSCXEFGJ-AREMUKBSSA-N 564.148 4.761 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 224608791 IOBCFYJGZJXSDW-LJAQVGFWSA-N 607.773 4.808 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 224686766 SBZFSHQCAXWCHO-JOCHJYFZSA-N 633.552 4.738 0 40 KJAB CCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1CN(C)S(=O)(=O)c1ccccc1 224812188 BMKWJXQPMCVNIO-UHFFFAOYSA-N 550.418 4.763 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 224918706 FLDJJDOYLQBZOX-LJAQVGFWSA-N 583.726 4.918 0 40 KJAB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 224935347 SHRCMWCXRSJQBE-NDEPHWFRSA-N 608.160 4.964 0 40 KJAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 225002935 XOXYFFYOXUDYRV-MHZLTWQESA-N 600.579 4.543 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 225291240 BVGWKZUHEJELBE-OAQYLSRUSA-N 593.371 4.856 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 225323339 GCGZPLPAMFHBBL-JKSUJKDBSA-N 548.920 4.745 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 225370385 BSKADRAMPGZMOU-MUUNZHRXSA-N 595.762 4.850 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 225551388 KSAAZIWPACSSSA-UKILVPOCSA-N 515.720 4.572 0 40 KJAB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1)Nc1ccccc1F 225617699 CSPATPWCMCNLTN-IZZNHLLZSA-N 501.587 4.718 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225670306 DYCKKGRZHLRGAP-QFIPXVFZSA-N 616.578 4.903 0 40 KJAB COC(=O)c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2OC)c1 225678352 SAKIMGBNMIKHBG-WUFINQPMSA-N 555.660 4.669 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)Cc2cccc(Cl)c2)cc1 226029724 IMALVPJDGSVLCU-UHFFFAOYSA-N 540.085 4.643 0 40 KJAB COc1ccc([C@@H]2[C@@H](C(=O)OC(C)(C)C)N3N=Cc4ccccc4[C@H]3C23C(=O)OC2(CCCCC2)OC3=O)cc1OC 248176135 VTNNDIVEQRISJU-ZNZIZOMTSA-N 576.646 4.649 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c(C)c1 260752330 CWQJSPCNNQAAJO-LJQANCHMSA-N 554.540 4.852 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1C 260808741 TVEPEXRFVBMYNF-JOCHJYFZSA-N 548.149 4.979 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260894389 GKBGPVDXQAVIAV-JOCHJYFZSA-N 545.721 4.801 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 260925943 HCDCNWHBKIRKIQ-RPWUZVMVSA-N 551.709 4.531 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c2ccccc2)cc1 260952209 JZAKCPNLCNHDQI-DNQXCXABSA-N 565.736 4.785 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 260961176 LDXRUDLQFAQXDM-MBSDFSHPSA-N 542.529 4.790 0 40 KJAB CS(=O)(=O)N(CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc2c(c1)OCO2 260984309 LVLMQAMVLGECQE-GDLZYMKVSA-N 605.757 4.660 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 260995784 QVEZDPBOWBEKFF-DQEYMECFSA-N 595.762 4.848 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c2ccc(C)cc2)cc1 261001213 RPNNKFKAGGQVQM-HSZRJFAPSA-N 551.709 4.531 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 261010363 UEWNGSXEWPSUIJ-LOSJGSFVSA-N 625.788 4.938 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 261041625 YQZIEWOTFCRKBO-NLFFAJNJSA-N 537.673 4.542 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 261058053 NFPKEMNQSUIMSR-CUNXSJBXSA-N 616.180 4.678 0 40 KJAB COc1ccc(N(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl 408592031 NHSQNIYNTKWBIR-UHFFFAOYSA-N 523.438 4.831 0 40 KJAB Cc1cccc(N2CCN(C(=O)CN(Cc3ccc(F)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)c1C 408620990 NGMNJYXZAUOCRM-UHFFFAOYSA-N 530.065 4.636 0 40 KJAB COc1cc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)cc(I)c1OC 408633009 IWCZSGXHLGOWIU-DHDCSXOGSA-N 543.770 4.965 0 40 KJAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](c5ccccc5)C[C@H]4C3=O)cc2)cc1 408688316 QNYPVIVHRIOBBT-GDKKVTFASA-N 539.588 4.514 0 40 KJAB CCOc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 408841864 IEYISQXQRDGEQE-FYJGNVAPSA-N 517.534 4.983 0 40 KJAB CCOC(=O)COc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1cccs1)C(C(=O)OCC)=C(c1ccccc1)N=2 408907970 CWSPIYZFFFENSD-KROVIPFCSA-N 609.125 4.592 0 40 KJAB CCOC(=O)Cn1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c2ccccc21 408916090 URLBXNCBGSBIAW-RWZBNUHNSA-N 635.742 4.852 0 40 KJAB Cc1ccc(N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 409128472 FQSYLFDMBLFRIK-UHFFFAOYSA-N 516.038 4.640 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 409145396 HSIXETNJOGIARM-CIAFOILYSA-N 549.443 4.856 0 40 KJAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc1Br 409156562 OVWHZHMHGRBFFI-CXUHLZMHSA-N 526.206 4.895 0 40 KJAB COC(=O)c1ccccc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)o1 409191940 QTMFOXSRRJSRSW-BIWBSIMWSA-N 588.707 4.955 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cccc(OCCOc3ccccc3)c2)C1=O)Nc1ccccc1N1CCOCC1 409203250 XCYVGBFZQCCNEJ-NHFJDJAPSA-N 559.644 4.656 0 40 KJAB Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(N5CCOCC5)cc4)C3=O)cc2)cc1C 409341694 GBLKJANRRNDSFV-VEILYXNESA-N 600.697 4.833 0 40 KJAB COc1cc([C@H](CC(=O)NCc2noc([C@H]3CCC(=O)N3)n2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC 1547139604 VHVOSXGJQUUVJU-KSNOWIBYSA-N 720.776 4.778 0 40 KJAB biogenic CCOC(=O)/C(F)=C(\C(N)=O)[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]2OC(C)(C)O[C@@H]12 2049251915 MAECBNGGLFJGBR-IEYGXKQZSA-N 575.633 4.555 0 40 KJAB O=C(NCc1ccccc1)[C@@H](c1ccco1)N(C(=O)Cn1nnc(-c2cccs2)n1)c1cnc2ccccc2c1 887579 YQDOVHRGVZNPDF-HHHXNRCGSA-N 549.616 4.634 0 40 KJAB CC[C@@H](C(=O)NCc1ccc(F)cc1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(F)c(Cl)c1 888002 YGHONGCBHFNEEI-QHCPKHFHSA-N 542.949 4.539 0 40 KJAB COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2ccccc2C)c1 1372565 KPJOVOXNHPCQMC-SSEXGKCCSA-N 519.605 4.839 0 40 KJAB COc1ccc(NC(=O)CSc2nnc3n(CCc4ccccc4)c(=O)c4c5c(sc4n23)COC(C)(C)C5)cc1 2586779 QDNSFXMGGPCGEG-UHFFFAOYSA-N 575.716 4.939 0 40 KJAB CCc1cccc(CC)c1NC(=O)COC(=O)C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1 3214807 ALGACUCLUWUOSZ-AREMUKBSSA-N 520.651 4.672 0 40 KJAB 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0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 223097643 ZQKXDXTURBFPKH-RUZDIDTESA-N 535.710 4.832 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 223123346 UYGCJIIIBPTGPF-HSZRJFAPSA-N 539.673 4.663 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223298491 WEHXEZKXIZWIKP-RUZDIDTESA-N 529.747 4.781 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1cc(OC)cc(OC)c1 223408631 LWJVKHKDMNANRZ-RNWIMVQKSA-N 518.654 4.946 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1Br 223456441 QYIWNWGGRKGHDE-MRXNPFEDSA-N 511.844 4.824 0 40 KJAB CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223463916 FBUNIWVHIJIUDF-SSEXGKCCSA-N 565.711 4.885 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223609655 CZCQZUGXCVQSMY-HHHXNRCGSA-N 627.735 4.523 0 40 KJAB 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COc1cccc(CN(C(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)c1 224945121 YKKNYNQQWGDHPD-QFIPXVFZSA-N 557.757 4.625 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 224959914 QSHGLUVQPGCUAR-LJAQVGFWSA-N 583.726 4.652 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 225181416 ODPDDWOAXFBVKC-MRXNPFEDSA-N 566.017 4.598 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 225214345 GIIVENMNPKFITO-XZOQPEGZSA-N 539.673 4.661 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 225218314 GCBSYUFGJAEYKC-BJKOFHAPSA-N 553.700 4.970 0 40 KJAB CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)c2ccccc2O1 225220151 XQZHXGXEFVPLJA-HSZRJFAPSA-N 500.661 4.928 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225269091 XAVPYIYEDCCOJQ-ZFGGDYGUSA-N 548.511 4.891 0 40 KJAB COC(=O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NC(C)=O)c2)cc1 225333384 NCFZBWBAEXXNRO-RRPNLBNLSA-N 541.633 4.803 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 225336262 DRBLLHSVEJIRNC-MUUNZHRXSA-N 565.736 4.871 0 40 KJAB CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)cc1 225435114 UIYCPTIQQOHCFW-SVBPBHIXSA-N 563.705 4.828 0 40 KJAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 225435649 VLIPGHLQFOPNOW-QFIPXVFZSA-N 562.054 4.501 0 40 KJAB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)O)o2)ccc1NS(C)(=O)=O 225438038 KGTIWPAQTMILTI-LOSJGSFVSA-N 564.645 4.597 0 40 KJAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(N(C)C)cc2)ccc1NS(C)(=O)=O 225460280 PVJVXDUHLWVDCX-SXOMAYOGSA-N 546.722 4.795 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1cc(C)c(Br)c(C)c1 225515015 LYPGOBVWVNLKRH-DEOSSOPVSA-N 509.444 4.831 0 40 KJAB CC(C)c1nc(Cc2ccc(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)no1 226078973 JDUIMUHHFYOBCE-UHFFFAOYSA-N 504.612 4.613 0 40 KJAB Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N(Cc3cccnc3)C[C@H]3CCCO3)c(O)nc2c1 253498898 FRMZJYKUFUPJME-SHQCIBLASA-N 513.646 4.906 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 260935984 CBKCEXWKVXODAT-AREMUKBSSA-N 604.144 4.809 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 261041739 YTYCPTBYYNUFNJ-ZEQRLZLVSA-N 611.761 4.548 0 40 KJAB Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 408578650 LGLUZGGKGDMVQV-FQEVSTJZSA-N 525.527 4.701 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(OCC)cc3)cc2)cc1 408584913 WMWURSFVSMXIAK-UHFFFAOYSA-N 526.611 4.861 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 408588555 DCOKEKXJUIFLBQ-QPJJXVBHSA-N 544.048 4.516 0 40 KJAB COc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2Cl)cc2cccc(OC)c21 408610856 USARRQFXRKLALW-UHFFFAOYSA-N 527.364 4.926 0 40 KJAB COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)cc1 408611443 WZVVOENCFHMXSR-UHFFFAOYSA-N 528.936 4.863 0 40 KJAB NC(=O)C[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408660503 QFCAFNJEJFAFFR-ZZSBRQPYSA-N 646.310 4.557 0 40 KJAB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)ccc1N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408674297 YZMSYDOZGDZWFZ-RYQLBKOJSA-N 513.377 4.716 0 40 KJAB CCc1cc(Br)ccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)cc1 408685914 MHTJSJLWXFBYBS-UYGSHGSRSA-N 525.399 4.509 0 40 KJAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1)Nc1ccc(Br)cc1Cl 408690668 WIFWDXPXJCKDBL-CALCHBBNSA-N 519.779 4.578 0 40 KJAB Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)S(C)(=O)=O)cc1 408695489 QRCLPPXKYGLKOJ-UHFFFAOYSA-N 550.102 4.943 0 40 KJAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)S(C)(=O)=O)cc1Cl 408711402 SCGSYNCGCHCWSH-INIZCTEOSA-N 586.519 4.904 0 40 KJAB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)S(C)(=O)=O)c1 408712181 NDAGTCDLOYBMDC-LJQANCHMSA-N 550.102 4.859 0 40 KJAB O=C([C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408714263 MMCFVUSFNAULDR-QGZVFWFLSA-N 564.457 4.903 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3O)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408733867 BOUJAYVHNDALNM-JUTHHCEFSA-N 760.388 4.511 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OC)cc4C)o3)c(=O)n2[C@H]1c1ccccc1Cl 408826782 KUNIABVFQFGRDR-GVMLUORFSA-N 577.058 4.807 0 40 KJAB CCOC(=O)COc1c(Br)cc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 408828559 MZUFVIMFUOZCTE-QDNAUZDWSA-N 708.425 4.664 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2ccc(O)c(Br)c2)C1=O)Nc1cccc(C(F)(F)F)c1 408881136 IAXCZGUDIMUJHE-CHHVJCJISA-N 501.280 4.849 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cc4c(cc3Br)OCO4)c2=O)=N1 409043267 YPQBFGZUPQWIER-OFRYAGADSA-N 619.921 4.732 0 40 KJAB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409045207 FXIBFAOIEXBISW-FZTAYZORSA-N 507.542 4.856 0 40 KJAB CCOc1ccccc1NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 409052918 DWPDLXIECQJVIG-UHFFFAOYSA-N 517.445 4.986 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 409070729 NCEIMOZYQSLLIR-UHFFFAOYSA-N 532.493 4.842 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@H]1c1ccc(SC)cc1 409121454 VFOZIMOKJTWNRM-OKAHBUAWSA-N 646.588 4.767 0 40 KJAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409132628 KISXFZGZEUFOKA-FQEVSTJZSA-N 509.628 4.658 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c2=O)=N1 409151539 HQKKPHVYGWHQDE-CYGYJLBOSA-N 601.769 4.703 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccccc3OC(F)F)c2=O)=N1 409168914 OIHVGPNPZVUCTJ-QCHPHUCNSA-N 563.022 4.842 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OC(C)C 409222366 WUZAZPQGAODRAP-YBFXNURJSA-N 520.367 4.878 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)c2ccc(F)cc2)cc1 409382171 POFJHMRAMMAZGN-UHFFFAOYSA-N 507.381 4.821 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(=O)Nc4cccc(F)c4)c(Br)c3Br)C2=O)o1 409399715 KWNURXLSGVVGDT-IUXPMGMMSA-N 681.265 4.849 0 40 KJAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(N(C(=O)c2cnccn2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 883550 CLYUQUIAELURQL-IBVKSMDESA-N 567.737 4.548 0 40 KJAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)Nc1cccc(C(F)(F)F)c1 950544 JJBWKLAVBVNDDP-UHFFFAOYSA-N 502.832 4.955 0 40 KJAB CCC(=O)Nc1cccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc4c(c2)OCO4)N3)c1 1326784 QXJGUUPDUCXZFM-OXQOHEQNSA-N 501.465 4.873 0 40 KJAB CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 2148171 IMKWSSXRLJFHNW-VWLOTQADSA-N 505.592 4.663 0 40 KJAB biogenic CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NCc4ccco4)C(=O)N23)cc1 2967598 ZPODCKYXBLPVNY-XMMPIXPASA-N 543.649 4.830 0 40 KJAB O=C(COC(=O)c1cccnc1SCC(=O)N[C@@H]1CCCc2ccccc21)N[C@H]1CCCc2ccccc21 3221186 LQBWOZHMNRLJJN-IZZNHLLZSA-N 529.662 4.718 0 40 KJAB COc1cc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1OC 6906396 SFFMBPXZAAJGDG-WUFINQPMSA-N 564.635 4.664 0 40 KJAB CC1=C(C(=O)Oc2ccccc2)C2(C)[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3C1[C@@H]1C(=O)N(c3ccccc3C)C(=O)[C@H]12 8397566 PQIDXQCUQFEHIQ-WTRDOEJZSA-N 574.633 4.787 0 40 KJAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N(Cc2ccccc2C)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 8713345 OAIGEYOZPADYLP-SSEXGKCCSA-N 547.611 4.942 0 40 KJAB COc1ccc(NC(=O)[C@H](c2csnn2)N(Cc2ccc(C(F)(F)F)cc2)C(=O)CN2C(=O)c3ccccc3C2=O)cc1 8748674 HGHANUDJGAFNQJ-VWLOTQADSA-N 609.586 4.570 0 40 KJAB CCOP(=O)(OCC)c1cccc(OCCOCCOc2cccc(P(=O)(OCC)OCC)c2)c1 9057024 SLFFAXGRVUIYKV-UHFFFAOYSA-N 530.491 4.944 0 40 KJAB biogenic COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(Nc3ccc(C)cc3)n2)CC1 9573266 JDNBRSBDLQAZQD-UHFFFAOYSA-N 509.676 4.654 0 40 KJAB Cc1ccc(C)c(CN2C(=O)[C@@](O)(CC(=O)c3ccc4c(c3)OCCO4)c3cc(Br)ccc32)c1 9614484 PJZHUKGKBRKZJF-HHHXNRCGSA-N 522.395 4.845 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N(Cc3cccc(OC)c3)C[C@@H]3CCCO3)cc2c1 19972993 DLQQSAQFEUXERS-IGKIAQTJSA-N 530.673 4.611 0 40 KJAB COc1ccc(CN(C)C(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 20109100 XJZCIPCUWQDSNS-UHFFFAOYSA-N 517.047 4.828 0 40 KJAB CN1CCC2(CC1)N=C(SCC(=O)Nc1cc(F)ccc1F)C(c1ccc(Br)cc1)=N2 35397195 LPDHVCZDQLJGTQ-UHFFFAOYSA-N 507.404 4.722 0 40 KJAB CCOc1cc(CNCCc2ccccc2)c(Br)cc1OCC(=O)NCCc1ccccc1 36611728 AHMOJMBVSPRRAU-UHFFFAOYSA-N 511.460 4.918 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cccc(Cl)c1Cl 59858731 AXOGQSBXAFFTPI-UHFFFAOYSA-N 562.884 4.852 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)cc2)c1 59884273 CUCFHYOIUGGBRZ-UHFFFAOYSA-N 609.726 4.955 0 40 KJAB COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@@H]3c3cccc(Br)c3)C2=O)cc1OC 70699481 YGELOVQYWCYWHC-OUTSHDOLSA-N 574.475 4.875 0 40 KJAB biogenic COc1cc(/C=C2/SC(=O)N(CCNC(=O)c3cc(-c4ccco4)nc4ccccc34)C2=O)cc(OC)c1OC 97980225 JPVXEQYKKRTRLO-MFKUBSTISA-N 559.600 4.987 0 40 KJAB Cc1cccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)c1 97981264 UCRXTMXUNKXULF-UHFFFAOYSA-N 556.493 4.740 0 40 KJAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1 98045489 LOMXTNIRIQDRTE-JOCHJYFZSA-N 547.512 4.680 0 40 KJAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1OC 98046598 YVPFXLXAOMRLTN-IWIPYMOSSA-N 542.020 4.889 0 40 KJAB Oc1c2c(nc3cc([C@H]4CCCN(Cc5ccc(F)c(F)c5)C4)nn13)CCN(Cc1ccc(F)c(F)c1)C2 100493062 PXDBXMRSFQXFHT-IBGZPJMESA-N 525.550 4.929 0 40 KJAB Nn1c(SCC(=O)Nc2c(Br)cc(Br)cc2Br)nnc1-c1ccccc1F 100885340 SITYSNSBVMZTDS-UHFFFAOYSA-N 580.075 4.816 0 40 KJAB CC(C)C[C@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 101499820 PDYKNSIXGVNDRH-RFFSZZMTSA-N 558.560 4.785 0 40 KJAB O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)oc(=S)n2CN1CCN(c2ccc(O)cc2)CC1 102249420 ZXTKJBAJSNEROT-UHFFFAOYSA-N 531.059 4.903 0 40 KJAB COc1ccc(OC)c(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)c1 102889110 FBGHUEKBIOLBFZ-SSUZURRFSA-N 559.416 4.865 0 40 KJAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 105317814 HNUFKSQHNRWQMR-UHFFFAOYSA-N 533.437 4.684 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)C1=O)N1CCCC1 106763667 VUDCZYJEMYWYBQ-NDENLUEZSA-N 519.392 4.826 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Cl)c1OCc1ccccc1 106764673 PBQAGLLJUSHADT-STZFKDTASA-N 501.004 4.976 0 40 KJAB O=C(NC(=S)Nc1c(I)cc(I)cc1C(=O)O)c1cc(I)ccc1Cl 150341968 XLLLZXWGTMRUTP-UHFFFAOYSA-N 712.472 4.979 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 222523840 LXGNGFIPRCHZFE-NRFANRHFSA-N 548.920 4.745 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 222695580 UJZGPQQQQFXYKF-LJQANCHMSA-N 578.518 4.669 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 222713592 GCLMDWFXHWFQMD-INIZCTEOSA-N 548.920 4.665 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 222806248 JIKPHBROPQTCFQ-XMMPIXPASA-N 627.388 4.908 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 223038487 VRIVOERCOWPWBE-QFIPXVFZSA-N 586.552 4.815 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)N[C@@H](C)CC)c2ccc(F)cc2)cc1 223114740 NGGNLZAYEOMTJH-VXKWHMMOSA-N 587.689 4.891 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 223152594 CJWNDUVIEDSKBK-FCHUYYIVSA-N 646.604 4.994 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223233538 SNCWXOMFKLNGGG-WOJBJXKFSA-N 580.589 4.845 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 223258933 KSSRILJNYXCCOI-DEOSSOPVSA-N 613.752 4.989 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 223333134 WGZVVBWBXYNBFU-QFIPXVFZSA-N 542.529 4.790 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 223445803 HHYKXYLHOMWJCQ-PDDLMNHVSA-N 563.764 4.933 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 223490719 XEDWPPMQHZADAO-XMMPIXPASA-N 581.735 4.623 0 40 KJAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 223493326 MTGJDZVYMJIMNI-XMMPIXPASA-N 562.519 4.785 0 40 KJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 223526296 PWZKTTGOVISDCL-SANMLTNESA-N 579.763 4.965 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1cc(OC)cc(OC)c1 223580189 FSHQEZOGMAUBLP-SANMLTNESA-N 555.469 4.621 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc3ccccc3c2)c2ccccc2)cc1 223595590 WEDPLSMZNKTHRK-UHFFFAOYSA-N 504.608 4.629 0 40 KJAB CCOc1ccc(N(CC(=O)NCCOc2cccc(C)c2)S(=O)(=O)c2ccc(Br)cc2)cc1 223763963 CDHRFAUTWLFWLZ-UHFFFAOYSA-N 547.471 4.547 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223905649 CVPYCZNHUGJQGY-KRWDZBQOSA-N 542.529 4.610 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 224080245 KNCAJKRSWSYNGW-QFIPXVFZSA-N 586.552 4.834 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 224345819 CVLAGZYXQXSNSD-PMERELPUSA-N 575.706 4.911 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 224391421 HACTXQRTIKXDNY-NDEPHWFRSA-N 609.720 4.658 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCC3CCCCC3)Oc3ccc(C(C)(C)C)cc32)cc1 224523081 LJBHHPJZLZBJDK-VWLOTQADSA-N 500.661 4.646 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 224671011 MJUAADXDDFJBNF-RUZDIDTESA-N 535.710 4.751 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 224721719 MCGOJRIGWBCORK-HXUWFJFHSA-N 592.600 4.989 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)[C@@H](Cc1ccccc1)C(=O)NC(C)C 224777553 ONVHCFZDUQUFNE-NDEPHWFRSA-N 549.737 4.543 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 224851132 PSHNZRPYAOQYMX-FQEVSTJZSA-N 546.064 4.618 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1C)S(C)(=O)=O 224855922 HIUHOGVIMVCGPM-QFIPXVFZSA-N 542.529 4.647 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](CC)C(=O)NCC(C)C)c2ccccc2)cc1 224893102 YHULABLMGCTWLW-PMERELPUSA-N 595.762 4.869 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)[C@@H](C)C(=O)NC2CCCCC2)c1 224943137 FCXDDYFBRSJQSZ-DEOSSOPVSA-N 683.824 4.791 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 225099707 ZOHABJDHNHNXNY-BJKOFHAPSA-N 581.735 4.540 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 225111450 MUKIQAABEFXOMP-HKBQPEDESA-N 607.773 4.559 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 225172519 JVBOPGDHRIFJBS-QFIPXVFZSA-N 561.720 4.637 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 225392464 VLRHUMYWAXVYOL-GDLZYMKVSA-N 565.736 4.841 0 40 KJAB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)ccc1NS(C)(=O)=O 225433632 KLZIIVOQBVKUKJ-DQEYMECFSA-N 537.642 4.569 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)Cc2c(F)cccc2Cl)cc1 226024517 RJOWFTJWZOPOHF-UHFFFAOYSA-N 558.075 4.782 0 40 KJAB Cc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)[C@@H]3CCCOC3)cc2)c(OCc2ccc(Br)cc2)c1 257270373 MTYSLRUCMHPOJW-HSZRJFAPSA-N 615.546 4.541 0 40 KJAB O=C(C[C@@]1(COc2cccc(Cl)c2)CN(C(=O)c2ccc(OC(F)(F)F)cc2)CCO1)N1CCCCC1 257276563 NUHRUKFXMSJFPP-VWLOTQADSA-N 540.966 4.931 0 40 KJAB CO[C@H]1C[C@@H](O[C@@H]2[C@H](C)O[C@@H](O[C@@H]3[C@H](C)O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@]6(O)[C@H]5C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]5(C)[C@](O)(C(C)=O)CC[C@@]56O)C4)C[C@@H]3OC)C[C@@H]2OC)O[C@H](C)[C@@H]1O 257682999 YLHXSKZGPASTOD-MLGLYHKRSA-N 923.147 4.589 0 40 KJAB biogenic,in-vitro COc1ccc(CN(C(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1 260799284 PSMPFMSLXLZGOM-JOCHJYFZSA-N 567.708 4.586 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 260804138 RARKFQLDJZAIKN-GOSISDBHSA-N 570.539 4.634 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)[C@H](C)C(=O)NC1CCCCC1 260824329 XUNLHJFPUIFIBH-HXUWFJFHSA-N 553.647 4.646 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC)c2ccc(F)cc2)cc1 260854005 DIFWOSOZZDWLGO-GOSISDBHSA-N 596.508 4.890 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 260861054 BJFHOMJMGQXVNJ-OAQYLSRUSA-N 590.117 4.873 0 40 KJAB 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CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 224981884 PXDFGEYJGONESQ-JWQCQUIFSA-N 535.710 4.831 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)N(C)C)c1 225026668 UDEOKQGXHRVQSZ-LJAQVGFWSA-N 643.648 4.843 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)COc1ccc(I)cc1 225030708 HTNKAASTXZVPAT-QHCPKHFHSA-N 534.438 4.926 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 225188975 NESZDVVRLCSKMQ-XMMPIXPASA-N 522.111 4.528 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 225220840 ZEBSFENUKWRNPU-IBGZPJMESA-N 554.485 4.692 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccccn2)cc1Cl 225252328 YVXGGFYKBUKOQV-IZZNHLLZSA-N 533.057 4.742 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1cc(OC)cc(OC)c1 225508263 NDOLSGXERJNYEG-MUUNZHRXSA-N 522.617 4.778 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 225624084 SXQQRLSMQDBXIP-CJFMBICVSA-N 544.117 4.981 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)c2cccc(C)c2)cc1 225680139 JVBIMJMNGRMOLK-DEOSSOPVSA-N 553.700 4.827 0 40 KJAB CC(C)Sc1nnc(NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)s1 225872788 HTPMIHMOEGCDLT-UHFFFAOYSA-N 520.746 4.911 0 40 KJAB CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 255989685 NGNZQSPFQJCBJQ-RLMIVUACSA-N 785.983 4.724 0 40 KJAB CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1 260763828 HAWWACJIABEAJX-GOSISDBHSA-N 503.020 4.820 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 260776167 JIARKUVBADVMGG-XMMPIXPASA-N 533.694 4.666 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)[C@H](C)C(=O)NC2CCCCC2)c1 260778445 IFTXPVCGCZTIDZ-XMMPIXPASA-N 623.747 4.967 0 40 KJAB Cc1cccc(N(CCCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)c1C 260801471 ZAGMFOMFOPPKAQ-JOCHJYFZSA-N 507.656 4.979 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 260900513 DQSFWINAXWCNMV-RPWUZVMVSA-N 553.700 4.970 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 260911645 FVMAVPCIELJHQK-HSZRJFAPSA-N 551.709 4.613 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 260913698 FXBAISRPTXHCON-NVQXNPDNSA-N 529.747 4.781 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc(Cl)c1 260927822 AWDNRSZTJNIHLF-MUUNZHRXSA-N 568.139 4.805 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 260929904 HLVURDKEXHCREW-DWACAAAGSA-N 569.699 4.752 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 260996974 QZZQXPRPXAQLME-SQHAQQRYSA-N 529.747 4.614 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)N[C@H](C)CC)S(C)(=O)=O 261101479 WATSBEFIBYWORG-NHCUHLMSSA-N 596.588 4.726 0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)c(C)c1 408617989 ILMQBTKNJCWWIZ-UHFFFAOYSA-N 505.640 4.764 0 40 KJAB COc1cc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(OC)cc1Cl 408619623 KIBMWEIEWVRZNA-UHFFFAOYSA-N 553.862 4.949 0 40 KJAB CC1CCC(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)CC1 408659202 OWHBWXYTZGBIMR-ITIXSSTQSA-N 511.449 4.663 0 40 KJAB Cc1c(Br)ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)c1C 408688841 RFTUUNQTDYRHMS-JSNMRZPZSA-N 527.415 4.787 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408727638 VCYFRVWSXDWJQU-IMUCPKNRSA-N 593.705 4.819 0 40 KJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(I)cc(I)c3O)S2)cc1 408780972 OXQRHOOXVRWZDW-CQYSBYMNSA-N 578.213 4.763 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)cc1OCC 408800455 MJYDIYOOGXKZOQ-UHFFFAOYSA-N 524.388 4.692 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(C(=O)OCC)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408832689 IHCZPGCSAKCZAU-ITNAUSPISA-N 626.731 4.953 0 40 KJAB CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC 408832809 RMZXLZRWPRLUJO-QVOHLBINSA-N 564.704 4.775 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cccs2)n2c(s/c(=C/c3cc(Br)c(Br)o3)c2=O)=N1 408860327 YWNVNQOQTDTXII-IUYQLWOBSA-N 586.327 4.758 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(C)C)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1 408922317 OKGJJRFDQABTDC-YNMQQHPQSA-N 542.657 4.747 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc5c(c4)OCO5)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408977329 WWBOYOYFHUMGFP-OBDCIHEFSA-N 598.677 4.505 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 409018252 SMOFXDLYXJDYAG-YDZHTSKRSA-N 655.445 4.807 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(C4CCCCC4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409030572 DVVVASTVELFYEU-CTHKJOMYSA-N 635.783 4.672 0 40 KJAB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 409059437 NGFAJYWZFKHDHU-UHFFFAOYSA-N 557.691 4.950 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(F)F)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409176250 ZFFOFGBVUJBVQO-DIXABZHVSA-N 550.583 4.562 0 40 KJAB O=C(c1ccccc1OCCN1CCCC1)N1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1 643565223 FXRDZAXMAOTAJY-UHFFFAOYSA-N 533.713 4.695 0 40 KJAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)NS(=O)(=O)c3ccccc3Cl)ccc21 2037931613 BORLJZZIZWIRDB-UHFFFAOYSA-N 520.095 4.986 0 40 KJAB Cc1ccc([C@H]2C[C@H](C(F)F)n3ncc(C(=O)Nc4ccc(S(=O)(=O)N5CCCC5)cc4)c3N2)cc1 900666 JJNCOJAKUWBDLX-FGZHOGPDSA-N 515.586 4.591 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 2063058 RBGVFFCAZOWUND-PLQXQRLBSA-N 582.556 4.806 0 40 KJAB O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)NCCc1ccccc1 2968749 VFGRWEMKKVATEO-HSZRJFAPSA-N 503.027 4.981 0 40 KJAB CC(=O)Nc1cccc(CN(Cc2cccc(NC(C)=O)c2)S(=O)(=O)c2ccc(Br)cc2)c1 4106968 KNRGUKOCWPXGGJ-UHFFFAOYSA-N 530.444 4.757 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N(Cc3ccc(Cl)cc3)Cc3ccco3)cc2c1 6198252 CGOLPSWJJKMXIB-AREMUKBSSA-N 533.032 4.762 0 40 KJAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(C(=O)O)c3)c(OCC)c2)C1=O 8383942 NSAKLUYXCADHLO-YBFXNURJSA-N 519.959 4.615 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc(F)c4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1OCC 8452279 FXKLZWSKIVEINY-NNAGEYCMSA-N 602.684 4.924 0 40 KJAB CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)nc1-c1ccccc1 8872451 XOMOIMQRODMTOF-UHFFFAOYSA-N 533.631 4.991 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)[C@@H]2COc3ccccc3O2)cc1 12471967 FJIBBUFLHYVSIP-NSOVKSMOSA-N 500.595 4.664 0 40 KJAB Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=C/C(=O)OCC(=O)NC(=O)NC1CCCC1 12542456 CALLKLRWDJZVOU-MDZDMXLPSA-N 513.809 4.525 0 40 KJAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)cc1 12632968 SELMDWICXMNRQA-MHZLTWQESA-N 513.594 4.952 0 40 KJAB CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 13065220 PUNDEXWHTCQALH-AZGAKELHSA-N 500.647 4.506 0 40 KJAB CCCOc1ccc(N2C(=O)[C@H]3ON(C)[C@@H](c4ccc(OCc5ccccc5)c(OCC)c4)[C@@H]3C2=O)cc1 13803645 OECCDGFCMGGDOV-KCHLEUMXSA-N 516.594 4.929 0 40 KJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 14400078 FGANSTLZRANKHU-UHFFFAOYSA-N 500.448 4.707 0 40 KJAB CC(C)C[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)N1CCN(c2ccccc2)CC1 16035430 NVBKEDZFHVQPHU-MHZLTWQESA-N 509.654 4.902 0 40 KJAB O=C([C@H](Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 18142582 ZHJKKJFZCXMXKG-DTXPUJKBSA-N 535.688 4.707 0 40 KJAB COC(=O)c1cccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c1C 19856485 DQSBSIMQEBCPML-UHFFFAOYSA-N 501.004 4.886 0 40 KJAB CCc1ccc(OCc2nnc(SCc3nc4sc(C(=O)OC)c(C)c4c(=O)[nH]3)n2CC(C)C)cc1 23982915 AWPZFYBPNNPVGH-UHFFFAOYSA-N 527.672 4.761 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(CC)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC(C)C 27548334 LQCXIHJBOXZNRB-ZGOFBEGVSA-N 529.662 4.560 0 40 KJAB COCCN1CCN(C[C@@H]2C=C(C)[C@H](Cc3nnc(Cc4c[nH]c5ccccc45)o3)C[C@H]2C(C)C)CC1 30883051 HWKGZROXEWOMIG-RMDSEJHCSA-N 505.707 4.803 0 40 KJAB biogenic,in-vitro CCCCCn1nc(C(=O)OCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c2ccccc2c1=O 32724099 JXPZAZDYGGTUOF-UHFFFAOYSA-N 512.538 4.784 0 40 KJAB CCOc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1Br 57327776 WDNWHJHPSHQZHW-UHFFFAOYSA-N 511.401 4.856 0 40 KJAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 59833901 OPOICACBBOXEHR-FQEVSTJZSA-N 542.963 4.904 0 40 KJAB O=C(NCCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 70704696 CEPNHHKTBHAQGH-MZSJJGOWSA-N 568.677 4.724 0 40 KJAB biogenic Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc4ccccc4c3Br)cc2)n1 97940269 MWVQUWJWTZBXHR-UHFFFAOYSA-N 541.427 4.827 0 40 KJAB CCOC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 97963371 XTAKAVFUKHSNIA-GDLZYMKVSA-N 622.740 4.874 0 40 KJAB Cc1ccc(C)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nnc2SCC(=O)Nc2ccc(F)cc2)c1 97985230 IKMDEKNUIGHDOE-UHFFFAOYSA-N 636.775 4.859 0 40 KJAB O=C(C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12)c1ccc(Cl)cc1 100354625 HXALQJUHXQXEMW-CTNGQTDRSA-N 508.759 4.720 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c2ccccc2)cc1OC 100406817 OCNABFDKAYBZNN-UHFFFAOYSA-N 573.671 4.510 0 40 KJAB COc1ccc(OC)c(NC(=O)CN2C(=O)C[C@@H](c3cc(OC)c(OC)c(OC)c3)Sc3ccccc32)c1 100833563 LCOVQNIXVFIGKP-VWLOTQADSA-N 538.622 4.938 0 40 KJAB COc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(c6cccc(C(F)(F)F)c6)C(=O)[C@H]45)[C@H]23)ccc1O 100843589 WCTKTYHWENFIRK-IRFRATDASA-N 574.602 4.847 0 40 KJAB CCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)N4CCN(c5ccccc5)CC4)C(=O)N23)cc1 101385528 IMDZOJJPRPRADN-NDEPHWFRSA-N 610.740 4.545 0 40 KJAB COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCCN2C(=O)S/C(=C/c3cccs3)C2=O)c1 102935822 IKDAFJMIZJVAKN-KGENOOAVSA-N 578.093 4.677 0 40 KJAB COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3OC)c2)N2CCCC2)cc1 103001562 ZBKMDRSASHYBEX-RUZDIDTESA-N 544.073 4.725 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)c(Cl)c2)cc1 140086440 KECMCQROSLXDFR-UHFFFAOYSA-N 586.095 4.909 0 40 KJAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)C1=O 205674281 RRRZKWWSDGSCEK-YBFXNURJSA-N 506.374 4.636 0 40 KJAB O=C1S/C(=C/c2cc(I)c(O)c(I)c2)C(=O)N1Cc1ccc(F)cc1 214263503 SFIRNWVJNJRFDF-VGOFMYFVSA-N 581.144 4.977 0 40 KJAB COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](C)C(=O)NCc2ccccc2Cl)cc1 222950910 AZTYZAVPUBXULU-QHCPKHFHSA-N 598.165 4.799 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c2ccc(C)cc2)cc1OC 223110593 HNXUMQUWGFZMTQ-DEOSSOPVSA-N 595.762 4.582 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 223261070 FKTMTIFGWXPCDN-LJAQVGFWSA-N 549.737 4.661 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 223393189 PHURTNXGJCGQKF-INIZCTEOSA-N 593.371 4.856 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223613428 VEAPQQYXKQRWNB-XMMPIXPASA-N 582.163 4.626 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 223655234 QGSBXLBDULXUSY-RUZDIDTESA-N 580.509 4.675 0 40 KJAB Cc1ccc(CN(C(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1 223811772 CVLWHWJBNRNDGA-DEOSSOPVSA-N 527.731 4.634 0 40 KJAB CC(C)(C)c1ccc(OCCNC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 223831711 PYFFWUAKPYTNFK-UHFFFAOYSA-N 592.499 4.979 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223905346 KBNUXVPZGSYERC-MRXNPFEDSA-N 578.946 4.755 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 223996572 WEYMVUCJFVFFHA-PMERELPUSA-N 557.716 4.772 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NC2CCCC2)c2ccccc2)cc1 224059709 UCIYPXDHENOMBJ-DEOSSOPVSA-N 593.746 4.765 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)c2ccccc2C)cc1 224060054 XDSQNDRZOUNQSH-QHCPKHFHSA-N 553.700 4.970 0 40 KJAB 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NROVVWWXWJGOOC-RUMONJKUSA-N 569.749 4.588 0 40 KJAB biogenic,in-vitro COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCC(Cc4ccccc4)CC3)cc2c1 6282736 OMHOQFBRSZMERL-GDLZYMKVSA-N 520.637 4.616 0 40 KJAB CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2cccc(OC)c2)c1 8592037 SZVYJYBRFWXZDF-VWLOTQADSA-N 515.566 4.547 0 40 KJAB COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)c1OC 13029921 LDVMRYLYIPEYDS-MUUNZHRXSA-N 527.625 4.590 0 40 KJAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(CC(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)cc1 13130476 PMYIQSXKOOJVPN-RUZDIDTESA-N 519.711 4.735 0 40 KJAB Cc1cc(C(=O)COC(=O)c2cc(Br)c(Br)s2)c(C)n1C[C@H]1CCCO1 14358891 BEQMFRDQPIHCSD-GFCCVEGCSA-N 505.228 4.910 0 40 KJAB COc1cccc(N(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)S(=O)(=O)c2cc(C)ccc2OC)c1 20015022 RDFSADYKGHSFLT-SFHVURJKSA-N 503.020 4.738 0 40 KJAB COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2C)cc1OC 20022565 WJMYBQXQOKYJDQ-HXUWFJFHSA-N 512.628 4.686 0 40 KJAB COc1ccc(N(CC(=O)NCCSCc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 20235653 DJTLIMXUWLJJAG-UHFFFAOYSA-N 519.088 4.902 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C 22268436 XBSSLLJDYLWSBK-JOCHJYFZSA-N 506.546 4.941 0 40 KJAB COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4c(OC)cccc4OC)cc3n2)cc1Cl 22836042 WQMRKZXUBVDOKP-UHFFFAOYSA-N 511.991 4.535 0 40 KJAB CC(C)c1ccc(N(CC(=O)NCc2ccc(CN3CCCC3)cc2)S(=O)(=O)c2ccccc2)cc1 44857236 XQUIDZLVGBLGDU-UHFFFAOYSA-N 505.684 4.918 0 40 KJAB CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C2=C(N=3)c3ccccc3CC2)cc1 58865045 ZAEJUIHSXNJDMN-USDTVRPUSA-N 524.642 4.735 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 59247807 CRLZMSBQYUAWOQ-SJJVXOANSA-N 574.680 4.567 0 40 KJAB COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3C)ccc2s1 59837146 PTKRRLODTRFXCR-UHFFFAOYSA-N 528.583 4.954 0 40 KJAB CC[C@H](C)[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(OC)cc3)N2C1=O)C(=O)O 70705018 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CCCSc1ncc(Br)c(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(OC)cc2)n1 101429816 ZYFYSEODXLBDJB-HXUWFJFHSA-N 529.460 4.730 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1Br 102888914 ONBSCIKRBVPWBV-YAOOYPAMSA-N 587.426 4.781 0 40 KJAB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4cc5c(cc4Br)OCO5)c(=O)n31)c1ccccc1CC2 104655389 BXOHCDHJPYUCSS-ZWTBYVTRSA-N 573.468 4.819 0 40 KJAB CCOC(=O)c1sc(NC(=O)CSc2nnc(COc3ccccc3)[nH]2)c(C(=O)Nc2ccccc2)c1C 112258016 BTTPZQVJTPVIAL-UHFFFAOYSA-N 551.650 4.913 0 40 KJAB O=C(CCC(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1)Nc1ccc(Br)cc1 138620250 LHDZRIBOBWOQCQ-UHFFFAOYSA-N 518.589 4.766 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 222488724 LMWQETUPWIEZFC-DEOSSOPVSA-N 521.683 4.769 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 222524330 LGDJTIFWYUEGQK-MHZLTWQESA-N 559.663 4.654 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 222677697 PVDSWSSIQCXXNJ-HNNXBMFYSA-N 568.445 4.722 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Br)c(C)c1 222871786 MZQJQICUEXHVHX-RUZDIDTESA-N 525.443 4.531 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2OC)cc1 223021789 UKOFVQVMUSTESY-YTTGMZPUSA-N 613.780 4.883 0 40 KJAB COc1cccc(CN(C(=O)COc2ccc(Cl)cc2Br)[C@@H](C)C(=O)NC(C)(C)C)c1 223048115 YIZHHLBASQPXQH-HNNXBMFYSA-N 511.844 4.822 0 40 KJAB COCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 223301310 XFGQYVYHLPBNAF-WJOKGBTCSA-N 605.688 4.538 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 223513327 REHPLYGNIYMXEC-FQEVSTJZSA-N 546.492 4.621 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1 223520005 VBYJLAYKYJHDRT-UUWRZZSWSA-N 643.762 4.741 0 40 KJAB CCOc1ccc(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 223683830 MMNBGNUCEYFWHW-UHFFFAOYSA-N 570.708 4.791 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 223939617 HNJKLYRJDQACCM-JOCHJYFZSA-N 616.578 4.905 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224012741 BIALUAUCWOLZLH-MUUNZHRXSA-N 611.761 4.631 0 40 KJAB CCc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC2CCCC2)c(Br)c1 224035194 JBADPKDUXPTJMT-SFHVURJKSA-N 517.464 4.875 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 224118988 OMYDUADTVFXFGI-AREMUKBSSA-N 542.101 4.787 0 40 KJAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1 224331935 GKQIAYAVYSSUMY-WUFINQPMSA-N 503.716 4.962 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 224551429 NCUYNGCJRHVXSX-LJAQVGFWSA-N 621.756 4.528 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224560613 OREKXBIVCWHRPA-HHHXNRCGSA-N 553.700 4.909 0 40 KJAB CCc1ccccc1N(CC(=O)NCc1cccc(CN2CCCC2)c1)S(=O)(=O)c1ccc(C)cc1 224596371 XJVXAFQNMDCKSA-UHFFFAOYSA-N 505.684 4.665 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 224816941 HSVQUEDPNZVZDG-PMERELPUSA-N 579.763 4.715 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 224821561 SRMIDDVYVGDRCH-XMMPIXPASA-N 556.556 4.956 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 224983223 FQIMLLDIHJUKDI-BJKOFHAPSA-N 551.709 4.531 0 40 KJAB O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCOCC2)cc1 224983943 KQCNEGTYQNJILL-UHFFFAOYSA-N 520.438 4.664 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 225059241 AGBDXANWEZSSFF-BJKOFHAPSA-N 581.735 4.540 0 40 KJAB COc1cccc(CN(C(=O)CCCN2C(=O)c3ccccc3C2=O)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 225120428 HONPGCRIFHVIHP-SSEXGKCCSA-N 567.686 4.770 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 225126390 YJBAGYGAKFWPCW-NDEPHWFRSA-N 630.605 4.697 0 40 KJAB CCc1ccc(N(CC(=O)Nc2nnc(-c3ccc(OC)cc3)s2)S(=O)(=O)c2ccccc2)cc1 225206398 SLEDVYPNODQSTN-UHFFFAOYSA-N 508.625 4.610 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)cc1Cl 225239029 UTPWADVZCZLUOD-JWQCQUIFSA-N 522.030 4.940 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 225348865 POVZBQSDKJJERR-NDEPHWFRSA-N 573.756 4.506 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 225502964 YDRFLNXTQZQWLG-BKMJKUGQSA-N 515.720 4.607 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 225695116 YKDLBLKBAVSURM-QFIPXVFZSA-N 586.552 4.834 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 225725474 UQJFOZPVHBDQOJ-MHZLTWQESA-N 553.700 4.970 0 40 KJAB Cc1ccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccc(Cl)cc3)n2)cc1 225794728 LQHJIHOSIINXTD-UHFFFAOYSA-N 527.027 4.602 0 40 KJAB COc1ccc(-c2nn(-c3ccccc3)cc2C=c2sc3nc(-c4ccccc4OC)nn3c2=O)cc1C 254899026 UKRZQFMTMHYCEC-UHFFFAOYSA-N 521.602 4.544 0 40 KJAB Cc1cnn(CC(=O)N2CCC(COc3cccc(Cl)c3)(CC(=O)N3CCc4ccccc4C3)CC2)c1 257275171 NOEQDQCQNKUOKG-UHFFFAOYSA-N 521.061 4.508 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c2ccccc2OC)cc1 260772604 HHVGEPZHFGBKKV-RUZDIDTESA-N 607.773 4.808 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 260817814 WLTAKCQJYVNSBW-OAQYLSRUSA-N 572.127 4.876 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1 260824107 XPOULVOYNDFGRD-XMMPIXPASA-N 623.772 4.774 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)C)c2ccc(C)cc2)cc1 260849822 DOTYKEOXOIUGLO-JOCHJYFZSA-N 616.578 4.903 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 260866552 JOKDGXIDMDWMJS-GDLZYMKVSA-N 549.737 4.543 0 40 KJAB CCOc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@H](CC)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 260875714 GVBCIUAFKNQBJP-MUUNZHRXSA-N 579.763 4.903 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 260905032 WFYLNMBMYSCFHS-MUUNZHRXSA-N 570.155 4.888 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 260987558 CBELNPMNLUOIBC-VXKWHMMOSA-N 616.578 4.985 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)c1 261011387 GVFJZQCWMLWRDN-JOCHJYFZSA-N 569.699 4.670 0 40 KJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)ccc2Cl)c1C 408610426 QSWBKELNAVGXMN-FQEVSTJZSA-N 542.057 4.919 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OCC)cc2)cc1 408610492 RISJHZVPYHNTLB-UHFFFAOYSA-N 510.612 4.876 0 40 KJAB CCCCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(C)C)ccc3OC)CC2)cc1 408701336 WKEJRQKZZRCRRX-UHFFFAOYSA-N 516.660 4.815 0 40 KJAB CCOc1cc(/C=C2\S[C](Nc3cc(Cl)ccc3OC)NC2=O)cc(Br)c1OCC(=O)O 408805543 GLFLBAZQLBTVHK-UHFFFAOYSA-N 542.815 4.736 0 40 KJAB COc1ccc([C@H]2NC(SCC(=O)Nc3ccccc3)=NC(C)=C2C(=O)Nc2ccccc2)c(OC)c1 408980733 WZHCTMNQGRRBBN-AREMUKBSSA-N 516.623 4.989 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4F)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 408986165 LZCCLCKRVLBGHG-QQMBNGEASA-N 632.710 4.932 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1)c1ccccc1 409024150 AGRPCMSNYOTOOM-UHFFFAOYSA-N 505.640 4.968 0 40 KJAB CCn1c(CNC(=O)COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl 409065949 GMEFGMOIWWXEQY-UHFFFAOYSA-N 522.458 4.648 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409089562 MZTHSEMDNOEIGU-SPVXFMEISA-N 651.963 4.639 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409174824 VSUHNNVBYKJEIQ-UHFFFAOYSA-N 655.751 4.664 0 40 KJAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)C1=O 409229587 RNOMMCNBAMWHLO-OEAKJJBVSA-N 607.461 4.569 0 40 KJAB O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)NCc1ccc2c(c1)OCO2 409367394 WPYLQOFDMJNELR-UHFFFAOYSA-N 586.291 4.992 0 40 KJAB CC[C@H](C)Oc1c(I)cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1OC 409392371 LSZPBQOKWZRYJT-GNKPEBMXSA-N 534.419 4.864 0 40 KJAB COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O 524729736 HLJMUMPCBGWJML-LGGPFLRQSA-N 521.566 4.811 0 40 KJAB biogenic C[C@H](COc1cccc(F)c1Oc1ccccc1)NC(=O)[C@@H]1CCC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1 643580025 IRUJIKIDJYTNBR-WHODAWOQSA-N 696.776 4.659 0 40 KJAB CN1CCN(C(=O)Cc2ccccc2Cl)CCOc2ccc(-c3cncnc3)cc2Cc2cccc(c2)C1=O 643582017 HYTVROSEJXDHOV-UHFFFAOYSA-N 541.051 4.924 0 40 KJAB O=C(COCCOCC(=O)OCCOCC(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)OCCOCC(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 2061000570 DDFHUECCLQFWBN-UHFFFAOYSA-N 822.772 4.897 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(CC(=O)NC3CCCCC3)Cc3cccs3)C2)cc1Cl 800015 LELVWXKFWDHKBJ-FQEVSTJZSA-N 552.162 4.588 0 40 KJAB Cc1ccc(S[C@]2(CN3CCOCC3)COc3c(Br)cc(Br)cc3C2=O)cc1 1102010 JVLSADOYBKCNGP-OAQYLSRUSA-N 527.278 4.958 0 40 KJAB S=c1n(CN2CCN(c3ccccn3)CC2)nc(Cn2cnc3ccccc32)n1-c1ccccc1Cl 2653987 GVWOQABYIZDNDO-UHFFFAOYSA-N 517.062 4.629 0 40 KJAB CC1=C(C(=O)OCC(C)C)[C@@H](c2cccs2)n2c(s/c(=C\c3c(Cl)cccc3Cl)c2=O)=N1 2671318 YMQNZCUVAYPXLF-JZVSFUAJSA-N 507.464 4.803 0 40 KJAB COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccc(SC(F)F)cc3)c2)cc1 3282908 WXHMKWBOROMWAJ-UHFFFAOYSA-N 536.578 4.631 0 40 KJAB Nc1ccc(/C=C/c2ccc(N)cc2OS(=O)(=O)c2ccccc2)c(OS(=O)(=O)c2ccccc2)c1 4235248 OXYNZBIZNLZJTC-VAWYXSNFSA-N 522.604 4.557 0 40 KJAB Cc1ccc(C(=O)CSc2nc3cc(C(=O)NC4CCCC4)ccc3c(=O)n2C[C@H]2CCCO2)c(C)c1 8599404 CFQLCOIRIGKYKE-JOCHJYFZSA-N 519.667 4.840 0 40 KJAB COCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(C)cc3)N2C1=O 8790462 ALHSXJDROXOAHM-XCZPVHLTSA-N 522.605 4.726 0 40 KJAB biogenic Cc1ccc2c(c1)/C(=C/c1nc3ccc(I)cc3c(=O)n1-c1ccccc1)C(=O)N2 9347655 SJYOHTSAQPEQDD-AQTBWJFISA-N 505.315 4.791 0 40 KJAB O=C(CSc1nnc(CNC(=O)c2ccccc2)n1-c1ccc(Br)cc1)Nc1ccc(F)cc1 11852197 MCBIVFHGXREWRV-UHFFFAOYSA-N 540.418 4.830 0 40 KJAB C[C@H]1CC(=O)c2c(cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@H](C)CC6=O)c(O)cc(O)c3c2O)O1 13660214 JGQBYBXYRUCBQY-AOOOYVTPSA-N 518.474 4.601 0 40 KJAB biogenic,investigational CCOC(=O)c1cccc(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c1C 13669419 PSDHNRWLOUKOAO-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 14153800 USBKJLVKZKPRCE-UHFFFAOYSA-N 507.395 4.922 0 40 KJAB Cc1ccc(C)c(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1 17888379 LIHGUQHVXVXRJZ-GYHIUYGSSA-N 521.613 4.946 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(Br)c2)c(C)c1 20004499 OSQHDJNOKKIGTH-JOCHJYFZSA-N 501.446 4.903 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CCCc3ccccc32)cc1Cl 22248348 QCQKRBBFJMKFER-DQEYMECFSA-N 513.059 4.822 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)Cc2ccccc2)cc1OC 22535659 GQJORGBBGMEACC-QFIPXVFZSA-N 510.656 4.697 0 40 KJAB COc1ccc([C@H](CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)N2CCCC2)cc1 33023401 IPLYZFWUNYFCAR-SANMLTNESA-N 511.619 4.510 0 40 KJAB COc1ccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(=O)(=O)c2ccccc2)cc1Cl 59472054 LGNQLJUFJPXUTO-UHFFFAOYSA-N 517.047 4.863 0 40 KJAB O=S1(=O)C[C@@H]2N=C(SCc3ccc(Br)cc3F)N(c3ccc(Br)cc3F)[C@H]2C1 59671469 GHVKZSUEYYZBLO-RDJZCZTQSA-N 552.260 4.765 0 40 KJAB CCOC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)cc2N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 59930780 KWUJHEUMUZHZSN-UHFFFAOYSA-N 547.029 4.752 0 40 KJAB COc1cc(NC(=O)OC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccc(N(C)C)cc3)nc(C)n2)cc(OC)c1 67870937 AWTXHQGPTPPOIL-WBWMCNGVSA-N 531.657 4.962 0 40 KJAB biogenic,in-vitro COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)C[C@H]4c2cc(OC)c(OC)c(OC)c2)cc1 85878849 KTHSXRAZEVBRCC-SFHVURJKSA-N 518.518 4.944 0 40 KJAB biogenic O=C(NCCCCNC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 96022762 OLYJFAXNYZWKML-UHFFFAOYSA-N 686.856 4.910 0 40 KJAB COc1ccc(-c2cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)Nc3cc(Br)ccc3O)n2)cc1OC 98043161 HWKLWSRBAXJFHU-UHFFFAOYSA-N 604.401 4.840 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(c3ccc(F)c(Cl)c3)[C@@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)cc1OC 100287435 OZHCEGWCCVVFBP-RUZDIDTESA-N 585.036 4.740 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 100374705 UQFGAQSQZBDAIY-ZEQKJWHPSA-N 537.064 4.899 0 40 KJAB CC(=O)c1cccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NCc2ccco2)c2ccc(C)cc2)c1 100413550 JMSBNOJVEQOFLK-HHHXNRCGSA-N 529.618 4.673 0 40 KJAB CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 104647144 KOCZOGGDGQVUHT-UHFFFAOYSA-N 555.722 4.566 0 40 KJAB CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 140097888 NPGYEJQPLNEOME-UHFFFAOYSA-N 606.513 4.803 0 40 KJAB COc1cccc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2Cc2ccc(C(=O)NCc3ccc5c(c3)OCO5)cc2)OCO4)c1 150411421 HTIPTIPPIGYWQB-UHFFFAOYSA-N 652.685 4.572 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)ccc2C)cc1 216005682 XCHYNGFPRUVGAU-UHFFFAOYSA-N 536.635 4.552 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C)cc1 222432863 OBJXHDZFPITLHG-FQEVSTJZSA-N 562.519 4.969 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 222497661 DTUYDOGWWKKDAJ-XMMPIXPASA-N 522.111 4.527 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 222514333 YQTTZHFVJPQNMA-QABMSTFYSA-N 595.762 4.930 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)cc1 222567394 XXRJBBQJZSWVAN-PMERELPUSA-N 563.764 4.736 0 40 KJAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)NCCNc1ccnc2cc(Cl)ccc12 222788665 RXJGGIQLYBWGSD-UHFFFAOYSA-N 565.095 4.945 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 222992889 MXLFBUGDHSDXLK-KHHRZPJVSA-N 565.780 4.782 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1 223019216 YQLBXGWNIGPILN-YTTGMZPUSA-N 583.754 4.874 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 223037667 COSNWPXKRQBFSH-OAQYLSRUSA-N 572.525 4.506 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223076062 BILDEKGDLJSGRL-NRFANRHFSA-N 552.137 4.537 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223172975 GMPHCFBIACDQSA-VWLOTQADSA-N 515.720 4.572 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(I)cc1 223277613 LWJMFUXHTPWGJQ-GOSISDBHSA-N 535.209 4.530 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C(=O)NCCC(C)C)c2ccccc2)cc1 223310186 GYBIMHXAMYWJBF-PMERELPUSA-N 549.737 4.850 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 223343796 MMXBXNNDMNHOAU-QABMSTFYSA-N 577.747 4.518 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 223726218 NLVKUDIKWPTALV-PWUYWRBVSA-N 567.727 4.763 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 224172597 RNQRXSYITIHSNU-DEOSSOPVSA-N 534.122 4.589 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224227123 NNBRPDRXRCANLP-OAQYLSRUSA-N 560.091 4.864 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 224250587 AJEFIFPSOXOPTH-NDEPHWFRSA-N 569.699 4.672 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 224452955 RLQCTRZMSCGSNC-OAQYLSRUSA-N 548.920 4.665 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 224834679 LVSLFNYBKYCYHP-IBGZPJMESA-N 542.529 4.792 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 224981926 PXDFGEYJGONESQ-LOSJGSFVSA-N 535.710 4.831 0 40 KJAB 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0 40 KJAB COc1ccc(Cn2nnnc2[C@@H](C(C)C)N(Cc2cccnc2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 1335046 RRDUGGGWXWSAGM-GDLZYMKVSA-N 537.668 4.983 0 40 KJAB O=S(=O)(c1ccccc1Br)N1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 1377206 AHXMSBMTWDXGIH-UHFFFAOYSA-N 515.458 4.632 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccs3)c(=O)n2[C@@H]1c1ccc(OC)cc1 2671641 NQQXGTCPZDQSDT-ZPVURNRZSA-N 582.707 4.721 0 40 KJAB CC[C@H](Sc1nc2ccccc2c2nc(CCc3c(C)n[nH]c3C)nn12)C(=O)Nc1ccc(OC)cc1 2969683 XWXVVHRFRRLKLW-QHCPKHFHSA-N 515.643 4.921 0 40 KJAB CCc1cccc2c(C(=O)COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c3cccc(C(F)(F)F)c3)c[nH]c12 3302227 VEOUOUPAALPESB-OAQYLSRUSA-N 524.561 4.868 0 40 KJAB CCOC(=O)[C@@](NS(=O)(=O)c1ccc(C)cc1)(C(F)(F)F)P(=O)(OCC(C)C)OCC(C)C 4277117 KREHTTSFYWSORW-IBGZPJMESA-N 517.503 4.633 0 40 KJAB COc1ccc(NS(=O)(=O)c2cc(C(=O)O[C@H](C)c3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C)C5)ccc2F)cc1 6144265 ZXFNBCXGGTWUHP-LSDHHAIUSA-N 571.652 4.976 0 40 KJAB 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4.614 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC(c2ccccc2)c2ccccc2)cc1 22271768 WODDXPOOVRQTKO-NDEPHWFRSA-N 514.647 4.881 0 40 KJAB COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 28627780 SWJLTDOVVYYLMN-ZMIGGIFCSA-N 516.022 4.536 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cccc(Br)c2)C2CCCCC2)cc1OC 59834951 GOVSVDFYSXUALJ-QGZVFWFLSA-N 539.492 4.667 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 60028141 GTRKUJCDILWFNQ-UHFFFAOYSA-N 548.086 4.709 0 40 KJAB CN(c1ccc(OCC(=O)OCc2csc(-c3ccccc3)n2)cc1)S(=O)(=O)c1cccs1 62552237 ZZCZLPMDNVDMLF-UHFFFAOYSA-N 500.623 4.819 0 40 KJAB COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)CCC(=O)O)[C@H]3c2ccc(OC)c(OC)c2)cc1OC 96400870 VYQJMTHVOPSRHB-LADRKYRYSA-N 508.571 4.709 0 40 KJAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)/C=C/c1ccc2cc(OC)ccc2c1 97981038 GPKNDFABLKJGHS-YRNVUSSQSA-N 534.609 4.678 0 40 KJAB Cn1c(SCC(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)nnc1-c1ccc(F)cc1 98046237 NAOXINCPFDXUTN-UHFFFAOYSA-N 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CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1OC 409232925 JCIXUZRJGLBKTF-RQZCQDPDSA-N 509.353 4.671 0 40 KJAB CCOC(=O)COc1cc(Br)c(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC 409234387 WEXISEJBEHQMQO-RQZCQDPDSA-N 523.767 4.540 0 40 KJAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)C1=O 409238434 ZZQVRDWFBURCJW-YDZHTSKRSA-N 563.994 4.720 0 40 KJAB CCOc1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccccc3Cl)C(C)C)n2C)cc1 409352040 YCXSASDYWYKNBE-NRFANRHFSA-N 502.040 4.725 0 40 KJAB Cn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cccc2ccccc12 409359448 OESSDTVNVILNCR-UHFFFAOYSA-N 500.411 4.936 0 40 KJAB O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)Nc1ccccc1Br 409392307 REOZOASRJGTKMW-UHFFFAOYSA-N 501.402 4.608 0 40 KJAB COC(=O)C[C@H](c1ccc(Br)s1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O 524729854 LWMUEZKDNZCONT-SHACYNPGSA-N 548.411 4.848 0 40 KJAB biogenic COCC(=O)N1CCCN(Cc2ccc(Cl)cc2)CCCN(C(=O)Cc2csc(C)n2)Cc2ccccc21 643572078 YDKTVOFSIUXOEV-UHFFFAOYSA-N 555.144 4.952 0 40 KJAB COCc1ccccc1CNC(=O)c1ccc2c(c1)CNCCCCCCCN2C(=O)c1cccnc1 643583507 FHBUQWCVHQSKJL-UHFFFAOYSA-N 500.643 4.859 0 40 KJAB O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc2c(c1)CNCCCCCCCN2C(=O)COc1ccccc1 643583750 KCEKOYAXAJZPFU-UHFFFAOYSA-N 584.761 4.915 0 40 KJAB COc1cc([C@@H](CC(=O)NCc2noc([C@@H]3CCC(=O)N3)n2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC 1547139602 VHVOSXGJQUUVJU-AMDXRBSFSA-N 720.776 4.778 0 40 KJAB Cc1ccc(CN(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)S(=O)(=O)c2ccc(Br)cc2)cc1 622639 UJRHRIWFKAQYPA-UHFFFAOYSA-N 576.944 4.951 0 40 KJAB COc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c2c1 906268 CZNVEVZPPWBLAR-UHFFFAOYSA-N 534.663 4.821 0 40 KJAB COC(=O)c1ccccc1S(=O)(=O)N(CCc1cccc(C)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 914807 VJVWMZDQXTTYON-UHFFFAOYSA-N 518.635 4.674 0 40 KJAB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Cl)cc4Cl)c(=O)n32)cc1 1837605 MZNHZBHJJBVSAR-IYMWYRQMSA-N 517.434 4.502 0 40 KJAB O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1cccs1)OCC(=O)c1cccc(Br)c1 3260900 BANOQWQBKHEFGF-FQEVSTJZSA-N 534.453 4.615 0 40 KJAB Cc1ccccc1NC(=S)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 3383812 CGOGEWBSFRONMI-UHFFFAOYSA-N 511.513 4.736 0 40 KJAB COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)cc1Br 4109605 OBKPCRVJJJJVRJ-UHFFFAOYSA-N 500.418 4.734 0 40 KJAB CC(=O)Nc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c3ccc(Cl)cc23)cc1 8768725 FSFSNHAHWULHNV-UHFFFAOYSA-N 506.975 4.774 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 12401619 HLQNBZFYEPXEHO-YVNNLAQVSA-N 513.612 4.805 0 40 KJAB COc1cc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)C(F)(F)F)cc(OC)c1OC 12636088 LBYCQSZPKLZCMR-HXUWFJFHSA-N 514.566 4.855 0 40 KJAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)cc1 12700651 NSTHDBNTFNNCJW-NRFANRHFSA-N 502.640 4.686 0 40 KJAB COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccccc2F)c1 13028731 WDIVIRBCAMVETK-MUUNZHRXSA-N 515.589 4.802 0 40 KJAB COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccccc2C)cc1OC 13031283 ALNKZARIOYLYOS-LJAQVGFWSA-N 529.641 4.694 0 40 KJAB CC(C)CCNC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(F)(F)F)c1 13031358 NMJPPAPVSVAOTD-XMMPIXPASA-N 513.520 4.980 0 40 KJAB CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nc(-c4ccc(C)c(C)c4)cs3)c2)CC1 13109583 AYYAJVSGPFCKDF-UHFFFAOYSA-N 519.092 4.659 0 40 KJAB C/C=C(\C)C(=O)Oc1c(OC)c(OC)cc2c1-c1c(cc(OC)c(OC)c1OC)C[C@@](C)(O)[C@@H](C)C2 14692426 ZSAUXCVJDYCLRS-UKKUVLBLSA-N 500.588 4.754 0 40 KJAB in-vitro O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 15987270 ZCXXUEHMDPRKLK-KEZOAJOQSA-N 514.379 4.603 0 40 KJAB COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c(OC)c1 16043031 PMFNNFMCELNYRP-FRAKBFCYSA-N 511.615 4.638 0 40 KJAB biogenic COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1Cl 20006559 YDIJSSSIFQYQIH-OPAMFIHVSA-N 507.439 4.769 0 40 KJAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(Cl)cc2Cl)cc1C 20008566 ROKHPAVCARGYHF-JOCHJYFZSA-N 507.439 4.516 0 40 KJAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@H](C)c2ccc(SC)cc2)cc1C 20014519 SRWOIBUDIHYIAZ-OAQYLSRUSA-N 512.697 4.836 0 40 KJAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)c1 59331771 OUVIOWYSLGWSSD-UHFFFAOYSA-N 527.046 4.809 0 40 KJAB COc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 59930845 ULZZQCLXAIGTEW-UHFFFAOYSA-N 578.518 4.939 0 40 KJAB CC[C@H](NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)cc1 59986204 VMKCSEKOEJKMFX-QHCPKHFHSA-N 533.046 4.829 0 40 KJAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 70680511 WGALZPZENZVWHY-NDEPHWFRSA-N 536.584 4.679 0 40 KJAB biogenic COc1ccc(CCNC(=O)CSc2nnc(NC(=O)c3cc(Cl)ccc3Cl)s2)cc1OC 84672150 SSVGBSDXWXYXSU-UHFFFAOYSA-N 527.455 4.565 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccccc1Cl)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCCO2 100367287 BSHNMQUSNKHTBH-HHHXNRCGSA-N 548.043 4.935 0 40 KJAB COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)ccc1OC(=O)/C=C1\SC(=O)NC1=O 100872027 HITLFAQLNNCSBR-UORPSDDKSA-N 527.558 4.710 0 40 KJAB COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(c6ccc(Cl)cc6)C(=O)[C@H]45)[C@H]23)cc1 100922222 WXYLWLJAXWRNRI-HOLKMYPKSA-N 525.051 4.776 0 40 KJAB CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N12)C(=O)Nc1cccc(C)c1 101385871 JSOINJDDWYAJHN-VSGBNLITSA-N 594.741 4.843 0 40 KJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 103080075 DGNZTHDYEWQZQR-UHFFFAOYSA-N 580.465 4.747 0 40 KJAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N3c4ccc(Br)cc4C[C@H]3C)cc2)c1 222735333 NYNSDPWKPFDVKZ-MRXNPFEDSA-N 531.428 4.615 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(Cl)cc1Br 222764425 WALVPGGWMOTERV-LLVKDONJSA-N 508.627 4.951 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCCc2ccc(OC)cc2)cc1 223020239 SJWIQEFRXYMQMJ-UMSFTDKQSA-N 627.807 4.925 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 223091868 ZREFRQNHADRGOU-XZOQPEGZSA-N 539.673 4.661 0 40 KJAB CCC1(CC)C[C@@H](NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3ccccc3O2)c2ccccc2O1 223192765 UWQFLSSQMPYIDD-KCWPFWIISA-N 536.650 4.850 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 223380686 XLUXRJIXAHGREV-AREMUKBSSA-N 576.546 4.844 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 223413323 NUMRXIOWOSWPQX-VWLOTQADSA-N 569.699 4.752 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 223514395 SGCBZROSKCCVNM-OAQYLSRUSA-N 572.525 4.506 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223567849 KDKBAWFFVKHRFT-NDEPHWFRSA-N 551.709 4.614 0 40 KJAB C[C@@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 223596767 XSBOHKQQTPPEOI-NRFANRHFSA-N 504.608 4.982 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 223681357 ZBMXPKNIZBJNGL-SANMLTNESA-N 553.700 4.786 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 223739676 KSAQWUUMPAMLNQ-SANMLTNESA-N 515.720 4.573 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 223797666 GOFVUVMZYXGGEP-FQEVSTJZSA-N 546.064 4.536 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 223913949 CVHPFENVIUMSAY-FQEVSTJZSA-N 590.515 4.727 0 40 KJAB COc1cccc(CN(C(=O)COc2ccc(Br)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)c1 224036383 BLCVRBFGFZDNPX-INIZCTEOSA-N 523.855 4.966 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 224522611 HYTWTQNQKUYOPZ-MHZLTWQESA-N 539.673 4.601 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 224663232 RBFCRZXLTLJRQY-QHCPKHFHSA-N 581.710 4.896 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 224717650 YRQZTVGSPGFPEI-JOCHJYFZSA-N 542.529 4.647 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224737005 PWMCGXHWCGIKPF-HXUWFJFHSA-N 541.636 4.504 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224926972 PHLPPCFMYOHNLI-NDEPHWFRSA-N 628.191 4.822 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224954379 HITXARFQWKSVNH-NDEPHWFRSA-N 571.690 4.676 0 40 KJAB Cc1cc(C)cc(N(CCCC(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)S(C)(=O)=O)c1 225005168 OLYXWMHRDPYNIN-UHFFFAOYSA-N 512.676 4.856 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 225138577 NTRAJEFNUXXWNJ-RUZDIDTESA-N 534.122 4.671 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 225171159 DQFRVAZAIGDATJ-GDLZYMKVSA-N 565.736 4.841 0 40 KJAB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1OC 225183258 BZUSBZMTOHMWJY-KYJUHHDHSA-N 576.767 4.756 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 225267768 JBWPZJPRYJSZRY-AREMUKBSSA-N 569.699 4.672 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 225351869 ZTUKKAMZJPGCAX-PMERELPUSA-N 563.764 4.934 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 225363537 BKHUKYPFNAFWMG-RUZDIDTESA-N 548.149 4.713 0 40 KJAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)O)o2)ccc1NS(C)(=O)=O 225464727 HHTBNATWAFKJSH-JWQCQUIFSA-N 548.646 4.897 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 225471397 AWPVGZJBVOFLPP-LAUBAEHRSA-N 562.054 4.847 0 40 KJAB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(=O)O)c1)Nc1ccccc1F 225617927 FKINPYHHEKOOBY-UIOOFZCWSA-N 529.597 4.711 0 40 KJAB Cc1ccc(N(C)C(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1C 226016910 ZWBXDUFAMDCMMJ-UHFFFAOYSA-N 501.446 4.920 0 40 KJAB CC(C)Oc1ccccc1N[C@H]1CC[C@@H](C(=O)N(CC(=O)O)Cc2ccc(F)c(Cl)c2)CC[C@@H]1O 257317241 VIYACHNVSMYVBH-JZWVFAODSA-N 507.002 4.711 0 40 KJAB 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CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 225646511 VDYNGQBEOVIRHP-HFZDXXHNSA-N 557.663 4.882 0 40 KJAB CN(CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl)c1ccccc1 225806907 IAZPKVOXUWTQPM-UHFFFAOYSA-N 502.061 4.570 0 40 KJAB CN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl 225808025 OFMABLQNPQJKFZ-UHFFFAOYSA-N 527.027 4.635 0 40 KJAB CC(C)c1nc(Cc2ccc(NC(=O)COc3ccc(S(=O)(=O)N[C@H](C)c4ccccc4)cc3)cc2)no1 226087299 HSUWUVIEPZXLFP-HXUWFJFHSA-N 534.638 4.841 0 40 KJAB CN(CCc1ccccc1)c1ncc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)c(CC2CCCC2)n1 257256958 KNNPYEFOJRVYSX-UHFFFAOYSA-N 513.063 4.660 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)Cc2ccccc2Cl)cc1 260825476 GQNAUVPBVWJDJL-WJOKGBTCSA-N 618.155 4.992 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 260876900 NAALAGBUMKEBCX-GDLZYMKVSA-N 567.727 4.845 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3cccc4ccccc34)Oc3ccc(Cl)cc32)cc1 260922369 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4.583 0 40 KJAB CCc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C[C@H]5c5ccccc5)[C@H]4C3=O)cc2)cc1 408679527 CPUPUILOJSBVGJ-BAMRGEIVSA-N 522.601 4.974 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(SC)c(C(=O)N4CCC(C)CC4)c3)cc2)c1 408714986 TYAOKGRWZUGVTJ-UHFFFAOYSA-N 619.787 4.899 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408760449 YUNUMOALCLFZOG-LULHQEEUSA-N 599.709 4.536 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4F)cc3)c(=O)n2[C@@H]1c1cccs1 408773692 WLXBBCOQISGWHI-LWUPDDLQSA-N 534.634 4.578 0 40 KJAB CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1Br 408775227 RMRWBIVAZPFHGB-CWJUKMOQSA-N 662.562 4.587 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OC(C)=O)c(=O)n2[C@@H]1c1ccccc1Cl 408823130 DTNLHTXCUNYRCD-BYHQVZLYSA-N 654.764 4.902 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4cccc(C(=O)OC)c4)o3)c2=O)=N1 408867498 LDFXOMLTLJYHLT-HDFSHUSISA-N 616.692 4.642 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OC(C)C)c(=O)n2[C@@H]1c1ccc(SC)cc1 409021504 KQRURLAMQFAJHK-MGSPXPDISA-N 543.110 4.961 0 40 KJAB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=c1/sc2n(c1=O)[C@@H](c1ccc(C(C)C)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 409024895 YVRFSQJTDICBRU-DNPLYLBKSA-N 589.721 4.988 0 40 KJAB CSc1cccc(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c1 409175190 XANBBISKRBLUPS-UHFFFAOYSA-N 538.432 4.847 0 40 KJAB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)C1=O 409273860 MCSXLWORMJQFNJ-MFKUBSTISA-N 561.616 4.705 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1ccco1)N(Cc1ccccc1Cl)C(=O)Cn1nnc2ccccc21 905964 XCMKSPRUBZNKMM-SANMLTNESA-N 506.006 4.897 0 40 KJAB COc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)S(=O)(=O)c2cccc3nsnc23)cc1 924971 YGJDLBPWALSJGF-UHFFFAOYSA-N 520.636 4.549 0 40 KJAB Cc1c(/C=C2\S/C(=N\c3ccccc3)N(N(C)C)C2=O)c2ccccc2n1CC(=O)NCc1ccco1 1014945 IZWWVVYJYWDKHC-ZNFUCCHLSA-N 513.623 4.940 0 40 KJAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3c4ccc(F)cc4CC[C@H]3C)cc2c1 1224916 BJVBZTWKINDRPC-DNOBIOAJSA-N 510.573 4.641 0 40 KJAB O=C(NCc1ccccc1)[C@@H](c1ccccc1F)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 1372493 AFIPCYREVZETIV-GDLZYMKVSA-N 507.569 4.657 0 40 KJAB CC[C@@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn12)C(=O)Nc1ccc(F)cc1 2969455 VXMLYJXGAJVNNO-JOCHJYFZSA-N 503.607 4.982 0 40 KJAB O=C(CN1C(=O)c2ccccc2C1=O)O[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 3245999 XZYNOIXDHNVHSJ-NRFANRHFSA-N 516.859 4.878 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(-c4ccccc4)[nH]c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 8445335 JJLTUBXAVLCQKF-FWESEHMYSA-N 579.678 4.964 0 40 KJAB Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCCCC2)cc1 8694388 SGZMCPUFGXFHMM-UHFFFAOYSA-N 566.706 4.947 0 40 KJAB CCOc1ccc(CNc2nc(NCc3ccc(OCC)cc3)n(S(=O)(=O)c3ccccc3)n2)cc1 9948653 QOBHVGOLIABZFV-UHFFFAOYSA-N 507.616 4.537 0 40 KJAB CCCCOc1ccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1 12855873 BAJCIXXBGWWOEV-UHFFFAOYSA-N 503.949 4.912 0 40 KJAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 13126333 KTWLXSISZFNCRI-UHFFFAOYSA-N 514.717 4.809 0 40 KJAB COc1ccc(CN(C[C@H]2CCCO2)[C@H](c2cc3cc(C)cc(C)c3[nH]c2=O)c2nnnn2C(C)(C)C)cc1 13454150 SURVUDIGNOCAJQ-SHQCIBLASA-N 530.673 4.666 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)cc1C 13980889 KSTIQFWPARSRFU-UHFFFAOYSA-N 506.365 4.961 0 40 KJAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3ccccc3OC(C)C)c2=O)=N1 34863846 UOMAUGPBTJOICT-IGSWSUAKSA-N 511.043 4.627 0 40 KJAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)[C@@H](CC(=O)Nc3ccc(OC(C)=O)cc3)S2)cc1 59690830 HVQUUOGWRPSVJU-IZZNHLLZSA-N 542.617 4.798 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)ccc2C)cc1 59853570 AEXREMXTQACSSL-UHFFFAOYSA-N 565.677 4.564 0 40 KJAB CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 59953560 UENXLBDGCHDEBT-UHFFFAOYSA-N 561.454 4.777 0 40 KJAB C[C@](N)(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O 94303293 XVWORJPLTFZBFO-INIZCTEOSA-N 790.899 4.947 0 40 KJAB in-vitro COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3)C2)cc1 100096579 KHQYPHBBSWLTJP-KRWDZBQOSA-N 598.530 4.842 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1OC)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1 100355961 VSOKJJMFJBTGAT-HHHXNRCGSA-N 533.604 4.667 0 40 KJAB COc1ccc(CCN(Cc2ccccc2F)[C@H](c2cc3cccc(C)c3[nH]c2=O)c2nnnn2C[C@H]2CCCO2)cc1OC 100378205 URYLDSRFMJCVGI-HVIPQOSHSA-N 612.706 4.993 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1Br 103533635 DENQBTIWMONPDN-DFXJHMEVSA-N 547.380 4.870 0 40 KJAB Cc1ccc(-n2c(O)c(C(c3ccccn3)c3c(O)n(-c4ccc(C)cc4)c(=S)[nH]c3=O)c(=O)[nH]c2=S)cc1 103770659 PPIBTYATNHIPIC-UHFFFAOYSA-N 557.657 4.707 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cccc4ccccc34)c2=O)=N1 103827638 DUKAWCUZNAYFIW-YNMQQHPQSA-N 542.657 4.749 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 106199542 WNZMJNXRTGTHRU-SFHVURJKSA-N 536.075 4.551 0 40 KJAB 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CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 225352076 IPBSEPGROTVWMD-FGZHOGPDSA-N 572.127 4.876 0 40 KJAB Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)S(C)(=O)=O)c1 225615161 RAZAZQZKTOHVNR-UHFFFAOYSA-N 555.722 4.697 0 40 KJAB Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)Nc1nnc(-c3ccc(Cl)cc3)s1)O2 225628332 UJSINLSXWZCHLE-NRFANRHFSA-N 527.027 4.762 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225670793 RVJSYHLEMNFDNI-QFIPXVFZSA-N 602.153 4.803 0 40 KJAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)[C@@H]4CCCN(S(=O)(=O)c5cc(C)ccc5C)C4)cc32)cc1 225920233 SLBMSCQSUMUILK-XMMPIXPASA-N 547.677 4.554 0 40 KJAB COc1cccc(OC)c1CNC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1 226024789 IRKNCVOOXOVEPD-UHFFFAOYSA-N 567.889 4.627 0 40 KJAB COc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 244950811 FMXIIORFKVQQGB-UHFFFAOYSA-N 510.619 4.840 0 40 KJAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)cc1)N1[C@H](c3ccc(F)cc3)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3N1[C@@H]2c1ccc(F)cc1 245232591 YLCDUXHGFPQEIJ-XBSCKGQLSA-N 626.566 4.688 0 40 KJAB CCOc1ccc(-c2nn(-c3ccccc3)cc2C=c2sc3nc(-c4cccc(C)c4)nn3c2=O)cc1 254626839 DXICENRIOINOKU-UHFFFAOYSA-N 505.603 4.926 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H]([C@H]5[C@@H](c6ccccc6C)c6sc(=O)[nH]c6S[C@H]54)[C@H]3C2=O)cc1 256055936 ZUAAIGRCZVCGJD-RFWPDTABSA-N 546.670 4.599 0 40 KJAB CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)CNC(=O)OC(C)(C)C)CC[C@@H]1Oc1cccc(Cl)c1 257281231 OOFPPZAPTUBSGG-URXFXBBRSA-N 530.065 4.509 0 40 KJAB Cc1nn(C)cc1C(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(=O)N(C)Cc2ccccc2)C1 257296723 RECLBUDAQWAVLX-NDEPHWFRSA-N 509.050 4.732 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@H](CC)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 260710553 CVXQGADLJGIMPO-AREMUKBSSA-N 551.709 4.613 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1)Cc1ccccc1 260719615 KJFODXHEDCMXEW-HKBQPEDESA-N 555.700 4.535 0 40 KJAB 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LHNOYZLELXDCRB-NAIWQIQESA-N 643.158 4.581 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(I)c(OC(C)C)c(I)c3)c2=O)=N1 409050681 YNHZPSFNMSTWDH-IMEWXKHHSA-N 714.363 4.795 0 40 KJAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 409052945 FMLORMAYEDGIFE-IWIPYMOSSA-N 506.555 4.561 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409102403 SPSNVPCHWVUITJ-LCQSEVKBSA-N 636.126 4.732 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c2ccccc2OC)cc1 409128090 RMESNEKUEQYCBB-UHFFFAOYSA-N 573.671 4.510 0 40 KJAB COC(=O)c1c(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)sc2c1CCCC2 409136658 SNBNDDTUBNYBJF-UHFFFAOYSA-N 512.653 4.864 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1Oc1nc(Cl)ncc1F 409149793 QZZAYZNVTCVNFG-OEAKJJBVSA-N 614.055 4.972 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OC(F)F)c(OC)c4)c(=O)n32)c(OC)c1 409157364 IXKGVRPBYBCHSU-CRCYZHLCSA-N 607.635 4.501 0 40 KJAB CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccc(I)cc3C)n2CC)cc1 409174224 UBRRWUIICCNUHZ-QGZVFWFLSA-N 607.518 4.588 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4sc(C)c(C)c4C(=O)OC)c3C)c(=O)n2[C@H]1c1cccc(OC)c1OC 409196656 XHEGMHLMDDQFOD-LKWZWFHSSA-N 649.791 4.688 0 40 KJAB CCn1c(SCC(=O)Nc2c(C)cc(I)cc2C)nnc1-c1ccccc1O 409411194 FNVUOFROTVTMOS-UHFFFAOYSA-N 508.385 4.623 0 40 KJAB CN(CCCC[C@H]1C(=O)N(C)CCCCCOc2ccccc2C(=O)N1C)C(=O)c1cccc(Cl)c1 643559685 BAIQJPBABZRXSZ-DEOSSOPVSA-N 514.066 4.744 0 40 KJAB CC(=O)Oc1cccc2ccc(CN3CCC(N4CCN(c5cccc(C(F)(F)F)c5)CC4)CC3)nc12 1889229197 ZVXAIHNZVRALFG-UHFFFAOYSA-N 512.576 4.966 0 40 KJAB CC(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@H](NC(=O)c3ccccc3)c3ccccc3)cccc12 667976 OPUKMDKYXBGUEX-AREMUKBSSA-N 501.608 4.636 0 40 KJAB Cn1c(Oc2ccc(Cl)c3cccnc23)nc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C 851612 QTBTYYDVRZKMFF-UHFFFAOYSA-N 516.772 4.783 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccc(F)cc2)c2ccccc2)cc1 1372426 JDRLEPZTUQHSNH-SSEXGKCCSA-N 537.595 4.666 0 40 KJAB COc1ccc(NC(=O)[C@H](c2ccc3c(c2)OCO3)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 1419093 FWWAIEARRHIAIR-PMERELPUSA-N 549.587 4.577 0 40 KJAB O=C(CCCCC(=O)OCC(=O)c1ccc(Br)cc1)OCC(=O)c1ccc(Br)cc1 4013765 ZMMIWCOQCSKBQZ-UHFFFAOYSA-N 540.204 4.924 0 40 KJAB CC1CCN(C(=O)C[C@@H]2c3nc(NC(=O)c4ccc(F)cc4)sc3C[C@H]3[C@@]2(C)CC[C@@H](O)[C@@]3(C)CO)CC1 4222420 ABVWNSMJRVTXGF-RUMONJKUSA-N 543.705 4.599 0 40 KJAB biogenic,in-vitro COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc1 8454939 UVJQZPSMGXPSJC-RNXOBYDBSA-N 577.428 4.673 0 40 KJAB COc1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccccc3Br)nc(C)n2)cc1 8623144 XUCKDTSQPPWAGH-MZKRTTBSSA-N 521.459 4.831 0 40 KJAB biogenic,in-vitro CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)c(C)c1 10446641 HUPPVVXLGTUVOA-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1/C=C/C(=O)OCC(=O)NC(=O)NC1CCCC1 12542455 UFTFKPNILZDLEN-CMDGGOBGSA-N 513.809 4.525 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(Cc1cccc(OC)c1)C(=O)Cn1nnc2ccccc21 13024703 QDQZSRHKNZXTAN-HHHXNRCGSA-N 517.605 4.654 0 40 KJAB O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(I)cc1 14275509 BVLUDHZSRGJDJH-UHFFFAOYSA-N 513.360 4.904 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)c2ccc(C)c(Cl)c2)cc1 22431936 RCMKVDPZQNZEOP-UHFFFAOYSA-N 523.058 4.963 0 40 KJAB CC(C)c1ccc(NC(=O)[C@H](NC(=O)C2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)C(C)C)cc1 26771601 LZWHFSAJCZFROC-LOSJGSFVSA-N 542.721 4.527 0 40 KJAB biogenic CN1CCN(C(=O)C[C@H](c2cccc3cccnc23)c2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)CC1 97971938 WBOCVRCHAPVQAK-HSZRJFAPSA-N 535.600 4.715 0 40 KJAB biogenic COC(=O)CNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(Cl)cc2Cl)[nH]c2ccccc12 98045695 DBXIOXIPJWQEFQ-SANMLTNESA-N 522.388 4.976 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(=O)(=O)Cc4ccccc4)c4ccccc4O3)cc2)cc1 100091207 OOEPYBKUUOVAHR-MUUNZHRXSA-N 577.684 4.532 0 40 KJAB COC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccccc2F)c1 100363597 USPVBMZCWKIESO-NDEPHWFRSA-N 543.599 4.580 0 40 KJAB CCOc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C(C)=O 100365533 ASEZESQCYRBEHU-SSEXGKCCSA-N 539.636 4.866 0 40 KJAB COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)CNC(=O)c2cccs2)c2ccc(C)c(C)c2)cc1OC 100414418 UBOHSJXYSQHFGY-SANMLTNESA-N 537.682 4.801 0 40 KJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 101105358 HDSJDKPRQJNMIT-LIONHTAISA-N 547.489 4.588 0 40 KJAB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 102934694 AOXIYQWRTVRTLM-UHFFFAOYSA-N 554.112 4.672 0 40 KJAB C[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 103129713 KHQLRVBTPMQDJV-HXUWFJFHSA-N 591.715 4.957 0 40 KJAB CCCCCON1C(=O)[C@H]2[C@H]3O[C@@H]([C@@H]4[C@@H]3[C@]3(Cl)C(Cl)=C(Cl)[C@]4(Cl)C3(Cl)Cl)[C@@H]2C1=O 104085390 IQUSGTPFAJZVHP-NTLJVTAYSA-N 524.055 4.568 0 40 KJAB CC1(C)[C@@H](C(=O)N[C@H](NC(=S)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C(Cl)(Cl)Cl)[C@@H]1C=C(Cl)Cl 104150564 DRALDEYSNGRUOW-ICNDRIKCSA-N 586.800 4.546 0 40 KJAB COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c2)cc1Cl 108330542 SIWPVOWUGLWIRD-YLAKUSLOSA-N 507.052 4.737 0 40 KJAB O=C(Nc1ccc(I)cc1)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 109668013 XIQXJYGZZSSXEF-GFCCVEGCSA-N 539.222 4.637 0 40 KJAB Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)s1 138950551 XPHZPVYHJNYJEG-UHFFFAOYSA-N 533.404 4.692 0 40 KJAB COc1ccc(CCN(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1OC 150375808 RPPFRCRDWXHYQJ-XIFFEERXSA-N 660.747 4.775 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 222456780 FDTHPSSHXYGKPN-QFIPXVFZSA-N 542.101 4.624 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 222532287 UDYFDMDVRZJLKB-NDEPHWFRSA-N 588.145 4.966 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 222900227 YXMPIZDRXKTNBY-HXUWFJFHSA-N 546.064 4.536 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223050995 JAMNXZJXGIYFAB-DEOSSOPVSA-N 551.709 4.533 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223245689 LKQHHCWTGYGSJI-RUZDIDTESA-N 578.518 4.751 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 223424253 HBFDUVPSODSADI-NRFANRHFSA-N 546.492 4.621 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(OC)cc1 223537473 PYNQECXKRZMWEA-RUZDIDTESA-N 509.444 4.776 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](CC)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 223557232 YXPQGDUYUMQWPK-QHCPKHFHSA-N 572.555 4.880 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223848705 FVIJXDCNMFPCJO-OAQYLSRUSA-N 630.138 4.922 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223958525 ITLSCAXWOQNYMH-QFIPXVFZSA-N 616.578 4.738 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 224052461 CIRUVCNITCMOTF-GDLZYMKVSA-N 567.727 4.847 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 224172032 NVNZOXCPZJHPJJ-SANMLTNESA-N 600.579 4.770 0 40 KJAB CCOc1ccc(N(Cc2ccc(C(=O)NCCOc3ccc(C)c(Cl)c3)cc2)S(C)(=O)=O)cc1 224180146 MPMJDPDZMSAAHI-UHFFFAOYSA-N 517.047 4.822 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 224384158 BEKZGUHTFWIXDH-MUUNZHRXSA-N 614.606 4.998 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 224677551 IFLJIAHBJZBMSU-QHCPKHFHSA-N 581.710 4.814 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1C 225017659 XCPYAXGFUSTKNZ-NDEPHWFRSA-N 614.606 4.997 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 225277427 IQQKRLOZDZEKKP-RBUKOAKNSA-N 572.555 4.880 0 40 KJAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)c1 225710516 XRYYFAHHIWUWOC-UHFFFAOYSA-N 501.004 4.962 0 40 KJAB S=C(NCc1ccc(Cl)cc1)Nc1nc(N2CCCCC2)cc(N2CCN(c3ccccc3)CC2)n1 225933796 HPZFVCSMTKIUJN-UHFFFAOYSA-N 522.122 4.934 0 40 KJAB Cc1ccc(CN(CC(=O)N(C)c2ccc(F)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 226034019 DDWUBTBPEOXMJA-UHFFFAOYSA-N 505.409 4.751 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c2ccc(Br)cc2)cc1 260834430 LXOFISYUVXQNDL-GOSISDBHSA-N 545.455 4.601 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 260873234 FKUPVYLKGIOWJJ-YADHBBJMSA-N 586.552 4.976 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 260947684 JJVJKMBBSZKDFM-LXFBAYGMSA-N 611.761 4.630 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 260961137 LDFPJSBMHPQWOY-AOMKIAJQSA-N 546.492 4.621 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 260981049 LADXFCDZYYDURA-MUUNZHRXSA-N 583.726 4.545 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 261009978 GORXKGPJOKHYQQ-VXKWHMMOSA-N 616.578 4.985 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 261017073 HRRHKYVQWIAQIP-AEFFLSMTSA-N 572.953 4.509 0 40 KJAB COc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1I 408546482 DVUHGUWNECKZKX-UHFFFAOYSA-N 532.252 4.818 0 40 KJAB COc1cccc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)n(NC(=O)C(=O)NCc3ccc(C)cc3)c12 408610860 UTFQZIMYEPQRPQ-UHFFFAOYSA-N 525.392 4.904 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(C)c3C)CC2)c2ccccc2Cl)cc1 408619413 MIZYPHQYYGPPIF-UHFFFAOYSA-N 512.075 4.809 0 40 KJAB CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Oc4ccc(C)cc4)cc3)C2)cc1 408655130 HLJFXGNXBUANHL-QFIPXVFZSA-N 530.577 4.889 0 40 KJAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)ccc1N1C(=O)[C@@H]2CC[C@H](C)C[C@H]2C1=O 408667008 PVNSDABVEDDRFE-FCXXMXSZSA-N 509.002 4.841 0 40 KJAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)c(C)c2)CC1=O 408668737 QZDMONZLOWHHFR-OOANRORASA-N 538.644 4.636 0 40 KJAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cccc(Cl)c1 408677295 CDKJKYZWCRWSQN-UHFFFAOYSA-N 556.493 4.979 0 40 KJAB COc1ccc(N2C(=O)c3ccc(C(=O)N4[C@@H](C(=O)c5ccccc5)[C@H]4c4ccccc4)cc3C2=O)cc1 408678455 FNRVREWFEYZBNW-OMKZWDOSSA-N 502.526 4.944 0 40 KJAB COc1ccc(N2C(=O)c3ccc(C(=O)N4[C@@H](c5ccccc5)[C@@H]4C(=O)c4ccccc4)cc3C2=O)cc1 408678457 FNRVREWFEYZBNW-PGPVDPFKSA-N 502.526 4.944 0 40 KJAB Cc1ccc(NC(=O)[C@@H](Cc2cc(I)c(O)c(I)c2)NC(=O)OC(C)(C)C)cc1 408738688 UXGZIZVZXYHMLC-QGZVFWFLSA-N 622.241 4.984 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408845623 HZIVRKAVAYYZAE-ZGOFBEGVSA-N 572.639 4.544 0 40 KJAB CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 408927850 SFKNWPQSLCSXRJ-KDSDTBODSA-N 530.049 4.926 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5cccc(F)c5)c(OCC)c4)c(=O)n32)cc1OCC 408940608 VDUBVVKTOYMDHU-ZOFDMNAZSA-N 632.710 4.932 0 40 KJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)c(I)o3)C2=O)cc1C 408952805 MZTYALWGKJUQGL-AUWJEWJLSA-N 561.195 4.939 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408992752 BNAVKSMEAYPZAF-POKSHJSXSA-N 596.705 4.993 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 409016294 GMNRZSGIJKEGBV-PRLWALMFSA-N 740.572 4.697 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409084039 WSHADKARHRWKLQ-KYSILRCISA-N 687.204 4.800 0 40 KJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 409119695 QBFKYGCSLNLAQT-GOSISDBHSA-N 500.020 4.702 0 40 KJAB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCCC4)c4ccc(Br)cc34)NC2=S)cc1 409136683 YKRTWKSGPVOXON-XKZIYDEJSA-N 553.482 4.687 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1OS(=O)(=O)c1ccccc1 409155026 IBBJXHFJINLHCS-HAHDFKILSA-N 552.630 4.755 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409167454 LNLNYGKYAMEBLP-UHFFFAOYSA-N 645.778 4.850 0 40 KJAB COC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)sc2c1CCCC2 409167873 OYTHPQQRCOJZJS-UHFFFAOYSA-N 549.070 4.910 0 40 KJAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O 524731547 BKMZXPVCRHLBDR-DENIHFKCSA-N 518.566 4.574 0 40 KJAB biogenic COc1ccc(-c2coc3cc(OC(=O)COCCOC(=O)COCC(=O)OCCOCC(=O)Oc4cc5occ(-c6ccc(OC)cc6)c(=O)c5cc4OC)c(OC)cc3c2=O)cc1 2061000623 ALSNIXUQPFUWOP-UHFFFAOYSA-N 898.823 4.915 0 40 KJAB O=S(=O)(c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)cc1)N1CCCCC1 933665 OHXZGSRHBVRSMY-UHFFFAOYSA-N 520.623 4.531 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 1106820 UTFCSFYUWQKHFV-UHFFFAOYSA-N 518.994 4.794 0 40 KJAB CCOC(=O)CSc1nnc2n(-c3cccc(OC)c3)c(=O)c3c(n12)-c1ccccc1CC31CCCCC1 1782897 ODKHYUVNJRTOMO-UHFFFAOYSA-N 530.650 4.969 0 40 KJAB biogenic CC(C)C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O 1917177 MQWMBCQPRFMJIY-XMMPIXPASA-N 532.980 4.764 0 40 KJAB COc1ccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4cc(OC)c(OC)c(OC)c4)nc23)c(OC)c1 2192877 AYFHTBGJMVAQJO-UHFFFAOYSA-N 532.475 4.710 0 40 KJAB COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2cccc(C(F)(F)F)c2)SCC3)c(OC)c1 3632766 KZJBYEBFLJOQSL-UHFFFAOYSA-N 523.558 4.648 0 40 KJAB COc1cc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)c(Cl)c2)cc(OC)c1OC 4121921 GOAXUBQNLXULCW-UHFFFAOYSA-N 516.019 4.642 0 40 KJAB Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 6038714 HPRQZEYENKSTBQ-RCCKNPSSSA-N 524.649 4.723 0 40 KJAB COc1cc2c(cc1OC)[C@@H](COc1ccc(F)cc1)N(C(=O)c1cc(OC)c(OC)c(OC)c1)CC2 9391266 BJVINARZEAYJKF-JOCHJYFZSA-N 511.546 4.687 0 40 KJAB CC(C)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2F)cc1 12481840 XRLHDQAWMMAAPU-BTYSJIOQSA-N 529.616 4.764 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)[C@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 13495687 RJQZXGXMCAZFFN-HHHXNRCGSA-N 528.613 4.717 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)CC1 14401959 ZSNJALIPQAJPDK-UHFFFAOYSA-N 518.894 4.850 0 40 KJAB COc1ccc(NC(=O)CN2C(=O)C[C@@H](c3cc(OC)c(OC)c(OC)c3)Sc3ccccc32)cc1 16954037 SHWHNYZVPOZMBW-DEOSSOPVSA-N 508.596 4.930 0 40 KJAB COc1cccc(N(CC(=O)Nc2ccc(Br)cc2F)S(=O)(=O)c2ccc(C)cc2)c1 19855863 RLYULROLGCLBAB-UHFFFAOYSA-N 507.381 4.739 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1Cl 22515345 MUCWRJOXYOAGJX-UHFFFAOYSA-N 517.003 4.668 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)c(Cl)c2)Cc2ccccc2)cc1OC 59515844 XPUIVWMDGCZEMU-UHFFFAOYSA-N 509.411 4.840 0 40 KJAB COc1ccc(N(CC(=O)N[C@H](C)c2cccc(Br)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 59834911 BSOMDGMPCHECMV-QGZVFWFLSA-N 563.470 4.548 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cccc(Br)c1 59887394 QDUYYYSNRQXBAJ-UHFFFAOYSA-N 606.442 4.673 0 40 KJAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(CS(=O)(=O)N4CCOCC4)cc3)c2)cc1 60028558 FHJODXLTEXOENH-UHFFFAOYSA-N 535.666 4.651 0 40 KJAB Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2CCN(C(=O)c3ccccc3C)CC2)cc1 64789809 OBTRXJIFBSPFNV-UHFFFAOYSA-N 507.637 4.815 0 40 KJAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)N[C@@]4(C(=O)Nc5c(C)cc(Cl)cc54)[C@@H]3C2=O)cc1 70706630 YWRRMKCECVYWLV-GURVGDRESA-N 553.018 4.500 0 40 KJAB biogenic COC(=O)c1cc(C)sc1NC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccncc1)CCCC3 97946009 WVOVDEHZFRLILU-UHFFFAOYSA-N 540.692 4.667 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3c(C)n(C)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 100306139 NUCKJBHRDRQLCO-URFJJRPFSA-N 593.705 4.753 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2cccc(C)c2C)c(OC)c1 100365628 FDOKAMMZBLXGDW-PMERELPUSA-N 541.652 4.899 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 100374700 UQFGAQSQZBDAIY-BVAGGSTKSA-N 537.064 4.899 0 40 KJAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3n(n2)[C@H](c2ccc(F)cc2)C=C(c2ccc(Cl)cc2)N3)cc1 100999360 GDGXUYNVJVALNI-QHCPKHFHSA-N 538.992 4.886 0 40 KJAB Cc1[nH]c2c(C(F)(F)F)cccc2c1CCNC(Nc1ccccc1Cl)=C1C(=O)N(C)C(=O)N(C)C1=O 101378178 GZAFDBNFGPJGJJ-UHFFFAOYSA-N 533.938 4.655 0 40 KJAB COCCNC1=C(C(=O)Nc2cccc(C)c2C)C(=N)[C@H](C(=O)Nc2ccc(Br)c(C)c2)S1 102729923 DITCCTIPAALWMJ-OAQYLSRUSA-N 531.476 4.534 0 40 KJAB CCOc1ccccc1N1C(=O)[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cc(Br)c(O)c(OC)c2)C1=O 102765955 AXXPWHSQASXYEH-WPFOTENUSA-N 539.382 4.613 0 40 KJAB COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)N1c2ccccc2NC(=O)C12CCCC2 102853745 PVUVXKLOZOETLW-SFHVURJKSA-N 539.633 4.594 0 40 KJAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc(I)cc1C 103016123 RPPDDMKKSWGMKD-UHFFFAOYSA-N 526.330 4.657 0 40 KJAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@H]3[C@@H]2C1=O 103521934 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COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl 222999808 MNSGNLHDCAUHOY-HNNXBMFYSA-N 578.946 4.753 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 223233490 MASFAPNREBWAIA-HKBQPEDESA-N 599.753 4.975 0 40 KJAB CCOCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 223240491 OIMLFJQSRMOIQQ-XIFFEERXSA-N 635.827 4.595 0 40 KJAB COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)[C@@H](Cc2ccccc2)C(=O)NCc2ccccn2)cc1 223248575 INKRMQUWBOINCY-LJAQVGFWSA-N 553.659 4.606 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 223944566 WYDKUVXOOAKVSH-JOCHJYFZSA-N 646.604 4.914 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 223975860 WKRPOCDWJCIDQH-OAQYLSRUSA-N 602.551 4.515 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 224060189 FBDPVNBPBGUIBF-LJAQVGFWSA-N 549.737 4.562 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224112015 OBAVUJZLSFIUOV-XMMPIXPASA-N 618.152 4.505 0 40 KJAB COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224414166 RULPNZLCHHSYHQ-MHZLTWQESA-N 522.617 4.777 0 40 KJAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 224611776 SQEKPDBCDKKPFD-MHZLTWQESA-N 630.605 4.947 0 40 KJAB Cc1ccc(N(CC(=O)NCc2cccc(CN3CCCCC3)c2)S(=O)(=O)c2ccc(C)cc2)cc1 224650648 IRALVRHJUDQGPX-UHFFFAOYSA-N 505.684 4.801 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 224717720 KVXGDBYCWIHMSA-QHCPKHFHSA-N 542.529 4.647 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 224772851 YMSWVACYHZMJRG-GOSISDBHSA-N 631.964 4.577 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O 224870667 HDRKGMVWXXTBNJ-QHCPKHFHSA-N 532.468 4.949 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2)c2cc(Cl)ccc2OC)cc1OC 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4.585 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 225598957 NKBZLGJAXDWDJV-SSEXGKCCSA-N 606.144 4.930 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(I)cc1 225639393 ASGASKVLGXOTCJ-HSZRJFAPSA-N 562.835 4.710 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225654620 AKXGWMIVBGDBLO-NDEPHWFRSA-N 586.154 4.526 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1 225675919 NMUULLRHKZELID-KAYWLYCHSA-N 586.626 4.748 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225711286 KGINQAWHLGUJPB-AREMUKBSSA-N 602.153 4.885 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCNc2ccnc3cc(Cl)ccc23)Cc2ccccc2)cc1 225999211 QTSRXBXFMJZBKJ-UHFFFAOYSA-N 523.058 4.616 0 40 KJAB COc1ccc(CN(Cc2cc3ccc(C)cc3nc2O)[C@H](c2nnnn2C[C@H]2CCCO2)C(C)C)cc1 253500308 BGRGKEALAHTUKD-VPUSJEBWSA-N 516.646 4.822 0 40 KJAB 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KJAB CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc1OC 35240283 IEAXXJHSFPIQSW-GTWFGUSFSA-N 500.645 4.788 0 40 KJAB O=C(CCc1ccccc1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(C(F)(F)F)cc2)cc1 67896808 ZKEOJTHSBLNPGR-SHQCIBLASA-N 512.528 4.738 0 40 KJAB biogenic,in-vitro CSCC[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccccc1Cl 70706009 SRQHKBSGKWWBPE-UNCTUWKVSA-N 573.118 4.846 0 40 KJAB biogenic CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCc3ccc(OC)cc3)C2=S)cc1 97951998 UAPXXCXUGKXKEI-VWLOTQADSA-N 549.624 4.585 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccs3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 97957659 XLHHTIBFXKKHES-KOBOZNMDSA-N 640.743 4.646 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OC)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(Br)cc1 100264163 FYUFPOKMPUACCH-XXMKCSCWSA-N 563.473 4.723 0 40 KJAB COc1cc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(NC(C)=O)cc2)cc(OC)c1OC 100358317 FRUQGWQKFPHVID-AREMUKBSSA-N 535.597 4.711 0 40 KJAB 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CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 223615916 MTVMCMIDCHSZGF-SKCUWOTOSA-N 586.154 4.669 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223670014 NFHIQKLHOBIXGJ-XMMPIXPASA-N 566.164 4.925 0 40 KJAB CN(C)S(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1)c1ccccc1F 223701993 DTGDJJUAAXQRQX-UHFFFAOYSA-N 527.662 4.745 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1 223761768 QSNADCUQHUPTIA-DEOSSOPVSA-N 563.720 4.675 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 223814304 GJCCNOMIFNKMRD-MUUNZHRXSA-N 587.689 4.892 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccc(OCc2ccccc2)cc1 223884965 QCXBIVLKSLXJKE-UHFFFAOYSA-N 501.608 4.656 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 223953120 FYQXLSZHRSQVJA-SFHVURJKSA-N 570.539 4.634 0 40 KJAB 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O=C(NCc1ccccc1CN1CCCCC1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 224829848 YQNBCCQYGITEKJ-QFIPXVFZSA-N 538.541 4.838 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1Cl 224857670 FQGZTRLGFOPMCI-SANMLTNESA-N 606.572 4.933 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 224944033 YANXYJZROZTGHX-MUUNZHRXSA-N 535.710 4.504 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)O)c3)o2)ccc1OC 225306224 IOBGAOUNGGRTSE-SXOMAYOGSA-N 558.616 4.810 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O 225337057 UANQEVKRVGLNCT-SJORKVTESA-N 518.441 4.702 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 225405250 SVSJDYJIGPEEKV-GDLZYMKVSA-N 581.735 4.623 0 40 KJAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 225425681 DDXZAYBFIHHNCJ-MUUNZHRXSA-N 535.710 4.566 0 40 KJAB COc1ccc(OC)c([C@H](C)NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1 225511561 NUFGMVKPIVNFRJ-SFHVURJKSA-N 503.020 4.738 0 40 KJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1Cc1cccnc1 225523500 PVTLKDCISZRHJZ-IZLXSDGUSA-N 510.667 4.945 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 225531322 KVPHKAFMMAYFGC-PWUYWRBVSA-N 565.736 4.921 0 40 KJAB COc1ccccc1N(CCCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)S(C)(=O)=O 225784440 XMRAOHXEBDHGKX-UHFFFAOYSA-N 501.004 4.765 0 40 KJAB CCOc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 260738518 ASRWQZWFAUPJGN-XMMPIXPASA-N 565.736 4.655 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(OC)c2)[C@H](Cc2ccccc2)C(=O)NC)c2ccc(F)cc2)cc1 260765941 UPBZYPVVSGAFFA-JGCGQSQUSA-N 633.742 4.814 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1Cl 260787455 MLHJDHRLVBUJPQ-OAQYLSRUSA-N 564.148 4.679 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 260800404 OZOXMENFCDEHRM-HSZRJFAPSA-N 581.710 4.814 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 260884722 JMFAUHTWHOMIKB-RUZDIDTESA-N 565.736 4.697 0 40 KJAB CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 260893651 MGPRXLBZFUTIGD-XMMPIXPASA-N 583.726 4.652 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)C)c2ccc(F)cc2)cc1OC 260910472 YASAYFFWWSXMEX-HXUWFJFHSA-N 606.116 4.634 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 260952408 KCSVRJWIODMTEX-RPBOFIJWSA-N 535.710 4.831 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 260983311 BLBXSNZPIMZTAQ-DFHRPNOPSA-N 630.605 4.779 0 40 KJAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 261022928 VVDBCVKKEFAPQF-GDLZYMKVSA-N 582.166 4.968 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 261043619 ZLOXCRPBKRHHMS-WJOKGBTCSA-N 591.774 4.777 0 40 KJAB CCn1c(=O)n(CC)c2cc(NC(=O)CSc3nnc(-c4ccccc4O)n3-c3ccccc3)ccc21 408543330 OAHLNPIAHHTTTC-UHFFFAOYSA-N 514.611 4.527 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc(I)cc1 408545309 KEPKSCDEOAZTAJ-UHFFFAOYSA-N 512.756 4.998 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc(Cl)cc1Cl 408547573 ZWMIAFVVGHVUEL-UHFFFAOYSA-N 562.884 4.852 0 40 KJAB CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 408626933 YIYFTGUZIWEQCV-UHFFFAOYSA-N 514.047 4.964 0 40 KJAB COc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](c5ccccc5)CC[C@H]4C3=O)c2)c1 408683746 ISYBNJHVGQZWNS-VANUSSGQSA-N 512.562 4.564 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408823955 GBMZCNPRRNWWIL-LAUBZIAYSA-N 602.684 4.924 0 40 KJAB CCOC(=O)Cn1c(C)c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c2ccccc21 408927606 QOXCLETXRAXFIX-RWZBNUHNSA-N 635.742 4.770 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccc(F)cc5)c(OC)c4)c(=O)n32)cc1OCC 408933382 JCLOYZHTYBIFRN-JNNIQXQOSA-N 618.683 4.542 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(CC)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408940240 OJAXBIZQWLYGOK-YNMQQHPQSA-N 543.689 4.869 0 40 KJAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCC(F)(F)F)c4ccccc34)c2=O)=N1 409033555 FOPCENLGOWBHGG-LWUPDDLQSA-N 552.574 4.893 0 40 KJAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCC(=O)OC)c(Cl)c3)C2=O)cc1 409109162 YTHNAQYUQPTBJG-VCHYOVAHSA-N 539.393 4.619 0 40 KJAB CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2c(C)cc(I)cc2C)c1=S 409158149 WRMVUQTUEVAQHR-UHFFFAOYSA-N 563.465 4.533 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)ccc3OCc3ccc(F)cc3)C2=O)o1 409398001 ATSKLHNQYNKTRN-ODLFYWEKSA-N 529.318 4.640 0 40 KJAB COc1ccccc1CC(=O)N1CCCC[C@@H]2CN(c3ncc(C(=O)N(CCOc4ccccc4)CC(=O)O)c(CCc4ccccc4)n3)C[C@@H]21 585268009 UEJWTQVRTYKFON-NQVJXQQZSA-N 691.829 4.936 0 40 KJAB COc1cc(CN2CCC(O)(COc3cccc(Cl)c3)CC2)ccc1OCCCn1cc(C)cn1 585274356 JOKZIEXDGOTZLL-UHFFFAOYSA-N 500.039 4.729 0 40 KJAB C[C@H](COc1ccccc1Oc1cccc(Cl)c1)NC(=O)[C@@H]1CC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1 643550776 IJSSXAGTJLHPMG-SDDUWZMOSA-N 699.204 4.783 0 40 KJAB CCCn1cnc2cc(C(=O)N3CCN(C(C)C)CCCN(S(C)(=O)=O)c4cc(Cl)ccc4C3)ccc21 643559810 BTNVTPZPQSYBIO-UHFFFAOYSA-N 546.137 4.622 0 40 KJAB CC(C)CCN1CCOCCOc2ccc(C(=O)NCC3CCN(C)CC3)cc2Cc2cccc(c2)C1 643580664 RMPYWPVORNWHPY-UHFFFAOYSA-N 507.719 4.606 0 40 KJAB COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c3N2)c1 884120 JJFWIWGNPHLKMF-FCHUYYIVSA-N 503.500 4.654 0 40 KJAB CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O 1374455 RDNMDCPUDUEGLD-MUUNZHRXSA-N 542.615 4.873 0 40 KJAB O=C(Nc1ccc2c(c1)OCO2)[C@H]([C@H]1CC=CCC1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 1418921 UJLJRUWKTHFKEX-LGGPFLRQSA-N 541.583 4.692 0 40 KJAB COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCN(c5ccccc5OC)CC4)c3N2)cc1OC 3012478 RDPPSGDGRXSQCH-DVECYGJZSA-N 545.562 4.532 0 40 KJAB CS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cccc4ccccc34)n2Cc2ccco2)cc1 6088794 SCWPHBUGQHJIHV-UHFFFAOYSA-N 533.635 4.842 0 40 KJAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N(Cc3ccc(Cl)cc3)Cc3ccco3)cc2c1 6196952 DJXYZKVUIPHXPS-AREMUKBSSA-N 549.031 4.598 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(CC(=O)N(CC)CC)c4ccccc34)c(=O)n2[C@@H]1c1cccs1 8756524 ZESHKESRDYJEFW-CUJRCQHQSA-N 624.788 4.820 0 40 KJAB CCCOc1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)c(OCCC)c1 12311892 XLMGXJSGPCRJLO-BBTUJRGHSA-N 502.580 4.595 0 40 KJAB COc1ccc(OC)c([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)c1 13028801 KEHKTEURIGMLGE-GDLZYMKVSA-N 527.625 4.672 0 40 KJAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(Cc3ccccc3)CC2)cc1Cl 22246737 URNDORSBORLXCN-SANMLTNESA-N 527.086 4.720 0 40 KJAB COc1cc(C(=O)Nc2cc(F)ccc2F)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 22254235 FFGIFAASMLDYGF-UHFFFAOYSA-N 510.946 4.854 0 40 KJAB COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(C)cc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 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CCS(=O)(=O)N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)c1ccc2c(c1)OCCO2 224510573 YGBBKAYAYAJXIN-MHZLTWQESA-N 672.642 4.931 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 224768937 JMTLHKVRLQBDBV-SFHVURJKSA-N 540.513 4.626 0 40 KJAB CSc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1C(=O)N1CCC(C)CC1 224834245 QVVWPACLONQHSH-UHFFFAOYSA-N 515.745 4.745 0 40 KJAB COc1cc(OC)cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 224894331 DNAZXXPLKUPISG-HHHXNRCGSA-N 525.045 4.901 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 224917266 DXSAFRWFEUDEKS-KRWDZBQOSA-N 558.503 4.765 0 40 KJAB CCn1c(=O)sc2cc(NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(SC)cc3)ccc21 225085675 IVPOVJPYFAAMCA-UHFFFAOYSA-N 527.693 4.947 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 225141047 DBYCJIIRQJXLMN-MUUNZHRXSA-N 595.762 4.850 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 225190940 FXXIYKDKFPXKIC-XMMPIXPASA-N 536.138 4.837 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 225389877 LPIVANLNBOHJPA-BJKOFHAPSA-N 611.761 4.548 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 225508845 LHXMBZCFPDCTIK-HYBUGGRVSA-N 566.562 4.554 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225524639 FLZSZRZMTLFNDF-QHCPKHFHSA-N 539.673 4.580 0 40 KJAB CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 225546011 VDTLSZJRJOBITG-PUUVEUEGSA-N 503.672 4.626 0 40 KJAB O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225562222 CNECOIAOKGHALC-UHFFFAOYSA-N 503.045 4.906 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 225654523 SQLAPCASOWFXSC-WXVAWEFUSA-N 659.777 4.778 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1OC 225662659 RHQCPDXCQDIKKQ-WUFINQPMSA-N 527.650 4.891 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225671065 OGXDDXTYFZYWQN-QFIPXVFZSA-N 602.153 4.803 0 40 KJAB COC(=O)[C@@H]1[C@H](C)[C@H](OC)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H]1C 242437335 BZOQTGADCSFWHV-DGWJVVNOSA-N 697.778 4.612 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)c2ccc(F)cc2)cc1OC 260801874 QPOWZKPCRFQNFA-HSZRJFAPSA-N 611.736 4.823 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)c1 260816148 UHSAJEWVFRAGDK-OAQYLSRUSA-N 534.122 4.589 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1C 260891869 RIOMPEBYCCXOEZ-HSZRJFAPSA-N 539.673 4.580 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 260994615 DFUGWGFZRAALMK-OUTSHDOLSA-N 597.753 4.935 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)cc1 261005632 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40 KJAB COc1ccc(N([C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1Cl 408711502 PFQRNGJSZXXVSH-ZDUSSCGKSA-N 525.907 4.860 0 40 KJAB COc1ccc(CCNC(=O)c2cc3cc(N(C)S(=O)(=O)c4ccc(F)cc4)ccc3s2)cc1OC 408713641 WKFCZVHEFVPEOS-UHFFFAOYSA-N 528.627 4.855 0 40 KJAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3)c2=O)=N[C@@H]1c1ccc(OCc2ccccc2)c(OCC)c1 408732473 VKWBECSIOZFCBS-LAUBZIAYSA-N 554.668 4.885 0 40 KJAB Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCN(C)CC4)cc3s2)cc1 408748849 IHSJDPSQEQTAJO-UHFFFAOYSA-N 559.717 4.975 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408817505 VTLONXDXNRGWCB-PRLWALMFSA-N 576.621 4.664 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3OC(C)C)c(=O)n2[C@H]1c1ccc(C)cc1 408831990 QOLKEGCKJXYXII-MFUBYVTQSA-N 632.520 4.507 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)c(=O)n2[C@@H]1c1cccs1 408838538 XPNSLAGPUOCKEY-VGTKIRILSA-N 615.516 4.767 0 40 KJAB O=C(O)c1cccc(COc2ccc(/C=C3/NC(=O)N(Cc4ccc(Br)cc4)C3=O)cc2)c1 408928544 BYHRLWTZKVUFQJ-LPYMAVHISA-N 507.340 4.819 0 40 KJAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(C)c(Br)c3)c2=O)=N1 409045295 PGLZVYPYNFMYAS-SRKIZSPNSA-N 576.310 4.632 0 40 KJAB COc1ccccc1N1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)CC1 409092364 UZYFQXMGXZMRDK-UHFFFAOYSA-N 592.943 4.651 0 40 KJAB O=C(COc1ccc(N2C[C@@H](C(=O)NCc3ccc(Cl)cc3)CC2=O)cc1)Nc1ccc(Br)cc1F 409127551 NXEJSGCJGRBPQU-KRWDZBQOSA-N 574.834 4.928 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)C1=O)N1CCOCC1 409128874 UMYIUZYBJOCTHP-UDWIEESQSA-N 643.297 4.528 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1OCc1ccc(F)cc1 409206163 HZBSZVPICLFKNT-MXAYSNPKSA-N 550.564 4.860 0 40 KJAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)Nc1ccccc1Br 409248416 GHVAGLRRLCODBM-UHFFFAOYSA-N 509.809 4.599 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1OC(C)C 409327455 JYEAZARHIKZNCX-ODLFYWEKSA-N 505.390 4.920 0 40 KJAB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N[C@H]1c1ccc(OC)cc1OC 409334971 JHLVEQNRXLKIPH-QHCPKHFHSA-N 518.035 4.875 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1 409376143 VBICUCUBRNAWHO-BKUYFWCQSA-N 589.464 4.784 0 40 KJAB COc1cc([C@H](CC(=O)NCCCO)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC 1547138476 MGQJBZJVTRUARG-RDPSFJRHSA-N 613.704 4.626 0 40 KJAB biogenic Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2c(n3S(=O)(=O)c3ccc(C)cc3)CCCC2=O)cc1 834406 AWWRDRQFWBNGHU-UHFFFAOYSA-N 508.621 4.815 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)cc1OC 906101 ZDGGTMGJYAOCEB-LJAQVGFWSA-N 527.625 4.672 0 40 KJAB COc1ccc(OC)c([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N([C@H](C)CCc4ccccc4)CC(=O)N32)c1 2106321 HTICUIIIGGXXGV-CVYBAQLYSA-N 523.633 4.891 0 40 KJAB biogenic COc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2Cc2ccco2)c(OC)c1 2362494 HYDJEAKLAZGOPQ-UHFFFAOYSA-N 514.991 4.900 0 40 KJAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCCc2ccc(Cl)cc2Cl)cc1 3221571 XPSAZQHJAVOFOQ-XMMPIXPASA-N 503.451 4.776 0 40 KJAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 3271929 GLELGKXDJFGSPB-UHFFFAOYSA-N 531.103 4.782 0 40 KJAB O=C(C[C@H]1Sc2ccccc2NC1=O)OCc1nc2scc(-c3ccc(Br)cc3)c2c(=O)[nH]1 3427238 GGZWXWIUMHLMJM-QGZVFWFLSA-N 542.436 4.960 0 40 KJAB COc1cc(NC(=O)c2sc3sc(C(=O)Nc4cc(OC)c(OC)c(OC)c4)c(N)c3c2N)cc(OC)c1OC 3624172 NATCOVFLSSPZDI-UHFFFAOYSA-N 588.664 4.683 0 40 KJAB COc1ccccc1-c1nc2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@@H](C)O4)c(=O)n2n1 3637437 WEASEGIMEOSBIU-FELJGRNJSA-N 533.613 4.550 0 40 KJAB O=C(NCCCn1ccnc1)/C(=C\c1cccc2ccccc12)NC(=O)c1ccccc1Br 3766859 MOZJCYOXVGGENF-JJIBRWJFSA-N 503.400 4.776 0 40 KJAB Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(OCc5ccccc5)cc4)c3)nn12 4124886 YADDMWMQGMHXSL-UHFFFAOYSA-N 500.609 4.867 0 40 KJAB O=C(Nc1ccc(Oc2ccccc2)cc1)O[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccc5c(c4)OCO5)n3)CO[C@H]12 5434044 LMNMCOYAPSTYAR-ZKFXSTKWSA-N 554.559 4.860 0 40 KJAB biogenic,in-vitro COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)cc2)cc1 6183512 HRYZNJPYMPAMNE-UHFFFAOYSA-N 526.968 4.890 0 40 KJAB COc1cc([C@@H]2CN3C(=O)CN(Cc4ccco4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C 8789158 XXRYIYNFBCREQI-CHJDUVSTSA-N 513.594 4.788 0 40 KJAB biogenic CC(C)Sc1nc2sc3c(c2c2nnc(SCC(=O)Nc4nccs4)n12)CC(C)(C)OC3 9346086 TUIVKWZWPSQZBO-UHFFFAOYSA-N 506.704 4.878 0 40 KJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 13112899 WVHGNMLDMJGNOT-UHFFFAOYSA-N 518.561 4.766 0 40 KJAB COc1ccc([C@@H](CC(=O)Nc2cc(OC)c(Cl)cc2OC)N(C)S(=O)(=O)c2ccccc2)cc1 19936256 ATYFECALROEHIB-JOCHJYFZSA-N 519.019 4.756 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cccc(Br)c2)Cc2ccccc2)cc1 20010339 UOWUFWINZBHETR-LJQANCHMSA-N 501.446 4.826 0 40 KJAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1 20016517 QIOBFNWELABMKD-UHFFFAOYSA-N 510.456 4.772 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1Cl 20483605 ONONYQYOODUBII-UHFFFAOYSA-N 517.003 4.500 0 40 KJAB COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1cc(=O)n2c(C)csc2n1 23968611 DDWVFTNXZROKJW-UHFFFAOYSA-N 519.652 4.841 0 40 KJAB O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1)c1ccccc1Br 26688474 QCPLBKAFYRWLEM-UHFFFAOYSA-N 506.447 5.000 0 40 KJAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2cc3ccccc3cc2OC)CC1 33773803 MAAOQYSCAKTEDC-UHFFFAOYSA-N 511.047 4.687 0 40 KJAB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(Cl)cc5)c(=O)n42)c2ccccc2CC3)cc1OC 58865024 IHZRABRAOKFNNO-CRCYZHLCSA-N 515.034 4.989 0 40 KJAB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1 59835530 WXDCVMRXBHULTO-UHFFFAOYSA-N 525.827 4.749 0 40 KJAB COc1ccc(N(CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)S(C)(=O)=O)c(OC)c1 59923455 DQLJCUQMMQKEKV-UHFFFAOYSA-N 539.654 4.658 0 40 KJAB CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C 94313225 LJVAJPDWBABPEJ-WMHCQVJESA-N 812.018 4.929 0 40 KJAB in-man COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCO2)c1oc(CSc2ccc(Cl)cc2)cc(=O)c1O 96335880 VWNQQZUZYWTWBQ-KRWDZBQOSA-N 504.944 4.723 0 40 KJAB Cc1cc(NC(=O)CCCS(=O)(=O)c2nc(-c3cccs3)cc(C(F)(F)F)n2)n(-c2ccccc2)n1 98043192 KVZQQBJVEOWNRB-UHFFFAOYSA-N 535.573 4.911 0 40 KJAB COc1cc(/C=C2\SC(=N)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)O 100102283 FPXYQIZORBJMOM-HQNNINPFSA-N 542.205 4.739 0 40 KJAB CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3)n(CC)c12 100820386 APLSKOICUCOTOI-BVKCHYSWSA-N 501.674 4.529 0 40 KJAB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cc(OC)c(OC)cc3OC)C2=O)cc1 102742301 USMLGOCMAVDZAG-GMQQYTKMSA-N 518.566 4.552 0 40 KJAB CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)CC1 105318773 YGOBTZXMOZMYCF-DHZHZOJOSA-N 579.531 4.861 0 40 KJAB COc1cc(CN(C(=S)NC(=O)c2cc(Br)cc(Br)c2OC)C2CCCCC2)ccc1OCC(N)=O 150394311 QSUXQROZFLEFGK-UHFFFAOYSA-N 643.398 4.943 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 222465167 LJNFDBCPIGISIO-MHZLTWQESA-N 539.673 4.661 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 222547355 YYNBCMDSFOWJPT-LJQANCHMSA-N 548.492 4.660 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 222764861 PERZZFFZEAAQKQ-MHZLTWQESA-N 574.118 4.657 0 40 KJAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2 222776464 NXNBBAPQUNAZMS-UHFFFAOYSA-N 626.156 4.896 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 222845206 GIDAOVCHUXMNPK-WJOKGBTCSA-N 615.752 4.594 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223158326 QNULWJYFZYDBBA-SANMLTNESA-N 641.787 4.638 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@@H](C)c3ccccc3OC)Oc3ccc(C(C)(C)C)cc32)cc1 223239591 IDSGQXIJFXKNAL-PPHZAIPVSA-N 538.666 4.835 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(I)cc1 223247960 JLGAXGCKJBUCQO-HZPDHXFCSA-N 573.269 4.765 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 223264474 IZIJXSAUWOLCBF-SFHVURJKSA-N 555.311 4.620 0 40 KJAB CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223325060 XTNIJFLRNWUDMR-SSEXGKCCSA-N 547.721 4.746 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 223332860 ZKPBFNZUNIUUKJ-NRFANRHFSA-N 542.529 4.790 0 40 KJAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 223472033 VVQGWYNJKCEYJA-SANMLTNESA-N 556.128 4.748 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 223513736 DSCNOBPBHLMLKZ-XMMPIXPASA-N 535.710 4.867 0 40 KJAB CCOc1ccc(N(CC(=O)NCCOc2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 223736795 HIYTUHFDIPMNFI-UHFFFAOYSA-N 517.047 4.746 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 223781630 WZIFUDPXYRYFMB-HXUWFJFHSA-N 546.064 4.536 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)c2ccccc2)cc1OC 223884616 LFGZSFUNGOUPQS-QFIPXVFZSA-N 597.709 4.514 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 224030027 PKGCIJJDZHIAST-QFIPXVFZSA-N 572.127 4.714 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224204318 USANILYBPBRBHL-MHZLTWQESA-N 570.155 4.969 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 224345039 KDMNVOFJJUGBCD-LJQANCHMSA-N 542.529 4.584 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 224503940 AQYXNHJANKMCJJ-XMMPIXPASA-N 570.539 4.634 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 224526421 UEXQAWJKJXPAIY-GDLZYMKVSA-N 565.736 4.779 0 40 KJAB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NCc1cccc(CN2CCCCC2)c1 224659102 SZLDQSLVEDGKGN-UHFFFAOYSA-N 603.526 4.789 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1)c1ccc(Br)cc1 224680684 BHSVNKLOGVNWCM-UHFFFAOYSA-N 505.409 4.527 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224770451 XQAMRCPYAJZPBB-DEOSSOPVSA-N 573.653 4.970 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224797398 FGWUMKNHLKCVSC-QHCPKHFHSA-N 600.565 4.848 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 224850500 AYEWMZBXMSZHSI-HSZRJFAPSA-N 539.673 4.581 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224892132 WLSGEAKPWKYHEI-MHZLTWQESA-N 614.164 4.780 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 225171792 LGCUTQCBNNRCIC-XMMPIXPASA-N 553.700 4.971 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 225177759 AKDFMYDAZFOIDR-LJAQVGFWSA-N 565.736 4.841 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 225182987 WQDSFHFHVREPKB-DEOSSOPVSA-N 536.138 4.837 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)OC)cc2)cc1C 225284798 FVERNIVEYPECOY-IZLXSDGUSA-N 555.660 4.729 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 225609212 DBTLGNJDEVGXDM-DEOSSOPVSA-N 582.937 4.799 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 225610235 LUQVEUVLRNQIQC-WMZHIEFXSA-N 540.101 4.747 0 40 KJAB O=C(c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1)N1CCCCC1 225747476 HFOOOKNKDGOJFY-UHFFFAOYSA-N 507.637 4.538 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 225752526 YUQFLGKPFGZTFC-PWUYWRBVSA-N 565.736 4.921 0 40 KJAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(-c4csc(C)n4)c3)CC2)cc1Cl 226046978 SZDASQPXOMTSQU-UHFFFAOYSA-N 506.049 4.820 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 260846984 CJKYELRNLYGEBG-OAQYLSRUSA-N 602.551 4.595 0 40 KJAB 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CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 225360477 JAEWVGUBXQUHIH-DHIUTWEWSA-N 567.708 4.586 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225385817 VWWPUJCXMVQSCR-XMMPIXPASA-N 571.662 4.594 0 40 KJAB CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)cc1 225404674 VXNAKAUHVGSLOY-CLJLJLNGSA-N 533.679 4.820 0 40 KJAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 225437657 VIHROWSKUOXQBR-GDLZYMKVSA-N 565.736 4.657 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 225525505 PSSJUAISMYKNCN-MHZLTWQESA-N 660.631 4.789 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2nnc(SCC(C)C)s2)S(=O)(=O)c2ccccc2)cc1 225528395 LZGBTDWLKRGHDC-UHFFFAOYSA-N 506.675 4.519 0 40 KJAB C[C@]1(NC(=O)CCO)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cc(OCc3ccccc3)ccc2OCC(=O)O)C1 257247264 IYESESMIXDYFNV-DURBRWELSA-N 537.584 4.718 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c2ccccc2)cc1 260769146 GLPGTMBYGSFNBV-XMMPIXPASA-N 563.720 4.757 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c2ccc(C)cc2)cc1OC 260769547 HNXUMQUWGFZMTQ-XMMPIXPASA-N 595.762 4.582 0 40 KJAB Cc1cc(C)cc(N(CCCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 260827863 ZDSJGVSTNVSOKT-XMMPIXPASA-N 527.731 4.716 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 260876531 MFEHPMDLAHBYIW-GDLZYMKVSA-N 583.726 4.545 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 260882215 IQEPZTDLGRBOLM-AREMUKBSSA-N 549.737 4.997 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 260927968 HHZVDICCOXPQSN-SQHAQQRYSA-N 529.747 4.880 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 260933994 XLSFTQWZBRTPES-YADHBBJMSA-N 542.101 4.867 0 40 KJAB 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536.053 4.722 0 40 KJAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)C1=O 409100180 VHUMWLLEEOWBAB-YRIIZNAFSA-N 520.401 4.943 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c2=O)=N1 409163111 LYJMXNYHYYROKN-BFOKUZPWSA-N 613.139 4.529 0 40 KJAB Cc1ccc(CSCCNC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 409172740 HSKWBORRFMNSGU-UHFFFAOYSA-N 580.513 4.845 0 40 KJAB COC(=O)[C@@H]1NC(c2cccc(C(F)(F)F)c2)(c2cccc(C(F)(F)F)c2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21 409191949 QWWPCZNXBIHRJQ-DNVJHFABSA-N 592.492 4.927 0 40 KJAB COC(=O)COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1I 409229808 VGZVIJACLWQFDM-RQZCQDPDSA-N 543.766 4.733 0 40 KJAB COc1cccc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C(C)C)n2C)c1 409359461 OHQOWUHXUGQRKG-HXUWFJFHSA-N 522.458 4.988 0 40 KJAB C[C@H](CCC(=O)N1CCN(C2CCCCC2)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 1889186677 LXOWBSTVXYORKH-RDCKRXMBSA-N 558.848 4.841 0 40 KJAB CCSc1nnc2c(n1)O[C@@H](c1cc3c(cc1Br)OCO3)N(C(C)=O)c1ccccc1-2 683682 RUXHFCLYPGECEW-FQEVSTJZSA-N 501.362 4.586 0 40 KJAB CC[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(CCC2=CCCCC2)Cc2ccc(F)cc2)cc1 1223433 OKEYRAAHRMIEJA-FQEVSTJZSA-N 508.681 4.984 0 40 KJAB COc1ccc(CN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@H]3CCc3ccccc3)C2=O)cc1OC 2158280 NMWYBLSPCHFMRD-FTJBHMTQSA-N 509.606 4.655 0 40 KJAB biogenic CSCC[C@@H](C(=O)O)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 2171407 MODAKIKOZDYIGO-BYPYZUCNSA-N 594.901 4.539 0 40 KJAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)c2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1 2644045 KVVISFVXGLMVKQ-MUUNZHRXSA-N 572.731 4.799 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)n2c(s/c(=C/c3c[nH]nc3-c3ccccc3)c2=O)=N1 8441852 RXYOLFPYQSZKRW-WWFXOLRUSA-N 552.059 4.917 0 40 KJAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2cc(C)c(I)cc2C)c(F)c1F 8835507 CAQVYOXUHZAKDI-UHFFFAOYSA-N 512.266 4.600 0 40 KJAB COc1cccc2cc(-c3csc(NC(=O)C4CCN(S(=O)(=O)c5cccs5)CC4)n3)oc12 10748942 YLQJLMVDIQJTGS-UHFFFAOYSA-N 503.627 4.666 0 40 KJAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3c4ccccc4ccc3n2C)cc1 12140098 GSZJDKKBAJBREY-BYYHNAKLSA-N 501.633 4.955 0 40 KJAB Cc1nc2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCN(c5ccc(F)cc5)CC4)c3)cc2s1 13131792 VKDRTNDHGZQWPS-UHFFFAOYSA-N 510.616 4.507 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CC)sc2c1CCCC2 14083052 QHUIYEKOJOXPDQ-UHFFFAOYSA-N 500.646 4.821 0 40 KJAB COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1 15956128 OZMFPBQOYXWXSU-RMHLNUKZSA-N 511.615 4.638 0 40 KJAB biogenic C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 16044822 HFMIFAXWMUOUSP-GOSISDBHSA-N 512.031 4.868 0 40 KJAB COc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NC(C)(C)C)c3)c3ccccc23)cc1C(N)=O 17160332 KPJGCZAPYIKTJV-UHFFFAOYSA-N 519.627 4.533 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1Cl 22428004 VTMMYTNWLZNCTG-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB CCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCCC2)c1 26120726 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CCCCNC(=O)C(=O)Nn1c(C(=O)Nc2cccc(Cl)c2C)cc2cc(Br)ccc21 408572869 BHGLMQHQHMNFRN-UHFFFAOYSA-N 505.800 4.604 0 40 KJAB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(I)cc2)C(=O)O)n[nH]1 408633075 VRWDSUYJFKCBAW-NVNXTCNLSA-N 513.744 4.956 0 40 KJAB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@@H]4CC(=O)N(c5cc(Cl)ccc5Cl)C4)c3)C(=O)[C@H]2C1 408642036 NGAOPFGDTPXSKH-IPZZXCBHSA-N 515.393 4.878 0 40 KJAB COc1ccc(NC(=O)COC(=O)CCCCCN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408687663 VELFFPNHGMTNRD-UDPYREPESA-N 552.627 4.630 0 40 KJAB Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 408694839 NAZLCKSPQFQVAU-UHFFFAOYSA-N 536.075 4.634 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(Br)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408822599 BJHLGOPMSDAPNQ-PZDOZLBDSA-N 636.362 4.816 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(Br)c3)c(=O)n2[C@@H]1c1cccc2ccccc12 408873511 VCPNSORXDBYCOG-LWUPDDLQSA-N 563.473 4.723 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Cl)cc(I)c4O)c(=O)n32)cc1 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COc1cc(CNC(=O)[C@@H]2CC(=O)N(C)CCCCCCCCCCCOc3ccccc3C(=O)N2)ccc1OCCN1CCOCC1 643578095 DXCRITIUBRJIAF-HKBQPEDESA-N 666.860 4.573 0 40 KJAB COC(=O)c1ccc(N(C(=O)[C@@H]2COc3ccccc3O2)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1 931005 KQNDMLHQLGWWON-AHWVRZQESA-N 534.634 4.898 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1cccs1)Cc1cc2c(C)cc(C)cc2n2nnnc12 1367545 NKVPWRXSFSIXQV-QHCPKHFHSA-N 513.631 4.737 0 40 KJAB COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccccc2)c2ccccc2C)c1 1372564 KPJOVOXNHPCQMC-PMERELPUSA-N 519.605 4.839 0 40 KJAB CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)Nc4nnc(SCc5ccc(F)cc5)s4)cc3C2=O)cc1 3369868 RVVBYVCQSDZJLM-UHFFFAOYSA-N 547.593 4.981 0 40 KJAB C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(NC(=O)c3ccc(F)cc3)nc1[C@H]2CC(=O)Nc1ccccc1 4222157 NQHMHLNGXSYDHA-RUMONJKUSA-N 537.657 4.979 0 40 KJAB biogenic,in-vitro Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N(CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 6410061 FYOBLUPWYNLWDP-UFHPHHKVSA-N 540.693 4.898 0 40 KJAB CCOc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CSc2nnc(COc3ccccc3)o2)cc1 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Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)o2)cc1Cl 22821457 MLESOEPNYAOZSI-ZRDIBKRKSA-N 500.020 4.642 0 40 KJAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 33748379 INOYBRCYHVFHBL-YMSRPXOMSA-N 513.656 4.594 0 40 KJAB CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 59522872 HQOADJDXZQQPQN-UHFFFAOYSA-N 573.741 4.737 0 40 KJAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)[C@H](CC(=O)Nc3ccc(OC(C)=O)cc3)S2)cc1 59690833 HVQUUOGWRPSVJU-UIOOFZCWSA-N 542.617 4.798 0 40 KJAB CN(Cc1nc(-c2ccc(Cl)cc2Cl)no1)C(=O)COc1ccc(I)cc1 59931423 ZHJDYXOHNXPUDX-UHFFFAOYSA-N 518.138 4.685 0 40 KJAB COC(=O)C[C@H](c1coc2ccc(OC)cc2c1=O)c1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc12 96114540 FIGSHGPAGQMAOJ-LJQANCHMSA-N 514.486 4.681 0 40 KJAB biogenic COc1ccc(/C=C(\C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n2ccccc2=O)cc1OC 97960182 WBLFAJIWIVFDFT-WEMUOSSPSA-N 535.644 4.797 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 100087030 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0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3Br)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 105500395 GNXPVDKVOXRVPJ-IBYCJETLSA-N 593.499 4.731 0 40 KJAB COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 105529369 CUWGVAWWDRFLDM-UHFFFAOYSA-N 525.410 4.853 0 40 KJAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 112256281 KRLKWWUNOANOFX-UHFFFAOYSA-N 554.065 4.773 0 40 KJAB Cc1csc(N(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)n1 150455260 CQACRMPRLKYWEP-UHFFFAOYSA-N 657.623 4.815 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 222430765 AWRGFXORSWFPNT-QFIPXVFZSA-N 562.054 4.765 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)cc1 222602053 ZSYOFUYGXFWNPN-LJAQVGFWSA-N 600.181 4.917 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 222654268 DMLZFOSOQVRFME-LBPRGKRZSA-N 574.836 4.595 0 40 KJAB 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504.562 4.629 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 2063060 RBGVFFCAZOWUND-VVNKCDPRSA-N 582.556 4.806 0 40 KJAB COc1ccc(CCn2c(SCc3ccccc3F)nc3ccc(N4CCOCC4)cc3c2=O)cc1OC 2976362 NNXDILGNADGEFL-UHFFFAOYSA-N 535.641 4.924 0 40 KJAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N(Cc1ccc(F)cc1)Cc1ccco1 6149229 HEZJPSXBURDTMT-AREMUKBSSA-N 544.587 4.912 0 40 KJAB COc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1S(=O)(=O)N1CCCc2ccccc21 6156605 FZEKBTPBUDICFZ-UHFFFAOYSA-N 506.609 4.608 0 40 KJAB O=S(=O)(c1ccc(-c2cs/c(=N\c3ccccc3)n2CCCN2CCOCC2)cc1)N1CCCCCC1 8440414 YRANRTGHLCDGJK-ZIADKAODSA-N 540.755 4.736 0 40 KJAB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC(=O)c4ccco4)c(OCC)c2)N3)C1 8920748 UVCHXLOBJWADLW-NRFANRHFSA-N 511.556 4.903 0 40 KJAB COC(=O)c1c(N2C(=O)[C@H]3[C@@H](C(=O)c4cccs4)N4C=Cc5ccccc5[C@@H]4[C@@H]3C2=O)sc(C)c1C 9012213 XRJPOPAWGLBWLU-YSFYHYPLSA-N 518.616 4.611 0 40 KJAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c(NC(=O)c3ccccc3Br)scc12 9381412 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533.580 4.863 0 40 KJAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cc(OC)cc(OC)c4)CC3)cc2)cc1Br 104147023 YBRNODBINVCJIY-UHFFFAOYSA-N 627.561 4.954 0 40 KJAB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1O 139149255 GPKVKNLXIXKRRQ-LWUPDDLQSA-N 592.458 4.638 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 222525638 WFWPMYIRABTDML-NDEPHWFRSA-N 570.155 4.827 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 222525829 KGWVFCIDTINWAH-NDEPHWFRSA-N 614.606 4.936 0 40 KJAB COc1cc(OC)cc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 222575512 PARZSZXAIHWIQJ-GDLZYMKVSA-N 518.654 4.803 0 40 KJAB COC(=O)c1cn(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c2ccccc12 222579488 ZXZWUOMZXCJUHU-UHFFFAOYSA-N 526.998 4.934 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 222647974 RTRAGICHBYIJLN-GOSISDBHSA-N 566.482 4.800 0 40 KJAB 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224906885 XDJRQWMWAULSPI-UHFFFAOYSA-N 500.020 4.783 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 224923152 PMOJFXZMPUWXOC-LJAQVGFWSA-N 581.735 4.833 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 224991879 RGIYATJLBPDHSQ-QHCPKHFHSA-N 613.802 4.955 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 225126182 UWHWFVRHROICET-SANMLTNESA-N 545.721 4.937 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)N(C)C)c1 225218577 QJNVGOLJSIAECY-QFIPXVFZSA-N 607.615 4.545 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 225463988 FFKQJLZUAIUEIV-ATIYNZHBSA-N 539.673 4.743 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)c2ccccc2F)cc1 225482141 RXCOGGXZZSYBKO-QHCPKHFHSA-N 539.673 4.580 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 225557517 QCKOKMPWXYJFLP-QFIPXVFZSA-N 572.127 4.876 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 225608960 KOAXNVKERKRHGJ-LJAQVGFWSA-N 652.144 4.832 0 40 KJAB O=C(Nc1nnc(S(=O)(=O)Nc2ccccc2Br)s1)c1ccc(Cl)cc1Cl 225772128 GHHHIBARDBPWJT-UHFFFAOYSA-N 508.206 4.661 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)Cc2ccccc2)cc1Cl 226076411 QZCJPVGIQUPSMD-UHFFFAOYSA-N 567.067 4.627 0 40 KJAB Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 226087411 GQZCWWOKCORVMZ-UHFFFAOYSA-N 515.429 4.835 0 40 KJAB NC(=O)c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1 226361221 LOWDYQLSSGPUBF-UHFFFAOYSA-N 547.945 4.881 0 40 KJAB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@H]1C[C@@H]2[C@@H]2[C@@H](c3ccc(F)cc3)c3sc(=O)[nH]c3S[C@@H]12 247535037 QFGDUGJTSQXGGQ-PDKYLHCFSA-N 513.015 4.907 0 40 KJAB O=S1(=O)NC[C@H](O)CN(Cc2ccc(Cl)c(Cl)c2)C[C@]2(COc3cc(-c4cccc(C(F)(F)F)c4)ccc31)C[C@H](O)[C@H](O)C2 253407378 WFHBUSOKHSDIKK-OLAVNICZSA-N 675.553 4.715 0 40 KJAB C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=C(C[C@H](O)[C@]12C)[C@]1(C)C[C@H](OC(=O)C[C@](C)(O)CC(=O)O)[C@@H](O)C(C)(C)[C@H]1CC3 253529983 SWRXIGFQDQTNKP-GJBDTQCLSA-N 636.867 4.753 0 40 KJAB endogenous,in-man COc1ccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 260826032 YDIKNKZACYERIA-XMMPIXPASA-N 593.746 4.684 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 260929169 KAEGTHOETTYVBK-OAQYLSRUSA-N 596.588 4.584 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 260967283 LZDHKVUTKPEOGX-CABCVRRESA-N 566.910 4.884 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 260982089 OHGRWRHDQBTCIE-IGKIAQTJSA-N 565.736 4.655 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 261037068 KCGGPQIWIPKERV-DWACAAAGSA-N 586.154 4.669 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 261041664 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CYQYKRUUSQSDLD-INIZCTEOSA-N 516.465 4.899 0 40 KJAB Cc1cc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3Cl)n2C)ccc1Br 409354104 YDOWFLNEFGGSIW-CYBMUJFWSA-N 522.856 4.761 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc(OC)c3OCc3ccc(Br)cc3)C2=O)o1 409399617 KVKSJHJMEPPSCJ-XDHOZWIPSA-N 541.354 4.509 0 40 KJAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)S(C)(=O)=O)cc1C 409411944 NZUSAXUYOABEBY-IBGZPJMESA-N 550.102 4.859 0 40 KJAB Cc1cc2cc(OCC(=O)N3CCO[C@@]4(CCCCc5ccccc5OCCN(C(C)C)C4=O)C3)ccc2n1C 643556298 ISZDXLXHSVRNKA-YTTGMZPUSA-N 547.696 4.506 0 40 KJAB COc1cc(OC)cc(C(=O)N2CCC3(CCCCCOc4ccc(Cl)cc4C(=O)NC3)CC2)c1 643558630 RXIKKBLTLRXWQZ-UHFFFAOYSA-N 501.023 4.962 0 40 KJAB Cc1noc(C)c1-c1ccc2c(c1)Cc1cccc(c1)C(=O)NCCN(C(=O)CCC(F)(F)F)CCO2 643581451 CEOMVFUCQWUYLJ-UHFFFAOYSA-N 515.532 4.843 0 40 KJAB O=C(NCCc1ccccc1)c1c(NS(=O)(=O)c2ccccc2)n(Cc2ccco2)c2nc3ccccc3nc12 1273607 XUFIAEQZRNUMCH-UHFFFAOYSA-N 551.628 4.999 0 40 KJAB 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510.656 4.573 0 40 KJAB CC(C)CNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 10693460 ZPJZKWLAXJAREF-UHFFFAOYSA-N 526.486 4.560 0 40 KJAB O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN=C1SCc1cccc(C(F)(F)F)c1 11757730 KHFZLUBVQLNSDF-UHFFFAOYSA-N 511.591 4.625 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nc3cc(OC)ccc3[nH]2)sc2c1CC(C)(C)NC2(C)C 12520278 LXGZNNABXCXEKR-UHFFFAOYSA-N 502.662 4.700 0 40 KJAB COc1cc(OC)cc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)c(C)c2)c1 13029197 DQAWJCGRGAIYPO-MUUNZHRXSA-N 529.641 4.755 0 40 KJAB COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1S(=O)(=O)NCCc1ccccc1 13581962 SYQJOCKRLYNAJZ-UHFFFAOYSA-N 500.620 4.736 0 40 KJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 15989907 YKBKMZGTVSOQOD-LIONHTAISA-N 517.507 4.855 0 40 KJAB Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc2c1 19941607 DORWGJRCAFGSKD-MHZLTWQESA-N 503.695 4.676 0 40 KJAB Cc1cc(C)c2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4cc(Cl)ccc4C)CC3)c(=O)[nH]c2c1 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592.722 4.582 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(c3ccc(F)cc3)[C@H](C(=O)NC(C)(C)C)c3c[nH]c4ccccc34)n2)o1 100329595 QCYMBYZVFWRLST-VWLOTQADSA-N 529.576 4.551 0 40 KJAB COc1ccc(OC)c([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)c1 100363821 SCZYPMXYLNWQBD-GDLZYMKVSA-N 545.615 4.811 0 40 KJAB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C(/NCCc1c[nH]c2ccccc12)c1ccccc1 101381639 POTVMYWNYLAGKS-WCWDXBQESA-N 529.394 4.757 0 40 KJAB CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccnc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 101589895 INYHJVWLZRVBPT-GCZHVTBPSA-N 555.590 4.989 0 40 KJAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 103078488 BVGPOVJQNWGTBL-UHFFFAOYSA-N 544.482 4.695 0 40 KJAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)Nc3ccc(SC(F)F)cc3)cc2)cc1 103116742 BKNSOPJKVWRQOB-UHFFFAOYSA-N 534.562 4.800 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(C(=O)OC)c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 105498631 XSAJJPONDAGPFW-LMSRTUJASA-N 593.057 4.507 0 40 KJAB 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CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(Cl)cc3)cc2c1 923943 RTKCUXHXMLIUDK-UHFFFAOYSA-N 526.998 4.700 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccnc2)C(=O)[C@H]2COc3ccccc3O2)cc1 930882 KQUAJRIYXLRIFU-WDYNHAJCSA-N 529.637 4.839 0 40 KJAB O=C(NCc1ccccc1)[C@H](c1ccccc1F)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 1372492 IJZZLRHHLQTHAY-LJAQVGFWSA-N 525.559 4.796 0 40 KJAB CCOc1ccc(-n2c(COc3ccc(Cl)cc3)nnc2SCC(=O)Nc2ccc(C(N)=O)cc2)cc1 2232424 VOIXBTNKIWACIX-UHFFFAOYSA-N 538.029 4.728 0 40 KJAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)sc(C(N)=O)c1C 2806210 GJVGKGUOKIARLE-LBPRGKRZSA-N 538.573 4.927 0 40 KJAB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)Nc1ccc(Oc2ccccc2)cc1 6163723 XCEAWGGTLFWUFX-HHHXNRCGSA-N 520.541 4.868 0 40 KJAB COc1cc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)cc(OC)c1OC 8901888 ODDVYBUPZMBFBG-UHFFFAOYSA-N 509.990 4.581 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccccc4C)CC3)cc2)c(OC)c1 9062946 NHYCJLGJNYHALE-UHFFFAOYSA-N 523.655 4.664 0 40 KJAB CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(=O)c3ccc(OCC)c(OCC)c3)scc12 11757982 VRJHMCSKIYGHLM-UHFFFAOYSA-N 537.594 4.682 0 40 KJAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCCC1 12883767 ACHQQXBCGYQFNN-WRRFIGKISA-N 512.654 4.618 0 40 KJAB biogenic C[C@H](OC(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2)C(=O)NCCC1=CCCCC1 13140326 UMUMYLJZVCPRQY-SFHVURJKSA-N 510.612 4.698 0 40 KJAB CC[C@H](c1nnnn1C(C)(C)CC)N(CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 13495866 AHJNWLLHKHDVHD-HSZRJFAPSA-N 502.619 4.584 0 40 KJAB COc1cccc(NC(=O)CSc2nnc3c4c5c(sc4nc(SC)n23)COC(C)(C)C5)c1 13555722 LHNWNLDLZCWOMI-UHFFFAOYSA-N 501.659 4.652 0 40 KJAB Cc1nc(-c2cccc(NC(=O)COC(=O)[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)c2)cs1 14118275 OWKAKJVNUXFJLI-GCLMJIJYSA-N 509.672 4.957 0 40 KJAB CCN(CC)CCNC(=O)c1ccc(NC(=O)/C=C/c2cc(Br)ccc2OC(F)F)cc1 14356788 KVYQRUFUWTZRKX-KPKJPENVSA-N 510.379 4.774 0 40 KJAB O=C(Cn1nc(Cn2nnc3ccccc32)n(-c2ccccc2)c1=S)c1ccc(Br)cc1 16769522 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1OCC 97959495 RGDPLCSTVRYOJS-HDFSHUSISA-N 602.684 4.924 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCc3ccccc3F)C2=S)cc1 97995483 IVXQBNZAGGPGFV-RUZDIDTESA-N 549.624 4.585 0 40 KJAB Cc1cc(NC(=O)CCS(=O)(=O)c2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2)nn1Cc1ccc(Cl)cc1 98043134 FXISFDPFTURFDR-UHFFFAOYSA-N 607.998 4.900 0 40 KJAB CC(C)N1C(=O)[C@H](NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c2ccccc21 100798111 LMSSVSORXKPSIN-MUUNZHRXSA-N 531.616 4.577 0 40 KJAB biogenic CN(C)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(c6ccc(Cl)cc6)C(=O)[C@H]45)[C@H]23)cc1 101175161 WBQKVTIXIWJOTC-ONRBHHSBSA-N 538.094 4.834 0 40 KJAB COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)CN2N=N[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]32)cc1 103256410 LPNBEHPHBADNRB-AFESJLNVSA-N 621.879 4.782 0 40 KJAB O=C(c1ccccc1)c1ccc(OC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1 103553911 QTOWHENKLSQGHZ-IMQOFUTHSA-N 584.584 4.642 0 40 KJAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)cc2)cc1 106011365 WIEHVDHZDCBAIW-UHFFFAOYSA-N 551.646 4.573 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)S(=O)(=O)c1ccc(SC)cc1 106128975 NANNIWHYVDCRHQ-UHFFFAOYSA-N 618.784 4.899 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)Nc4ccccc4)c3)cc2)c(OC)c1 109164496 HGNOKHCRINKRLW-UHFFFAOYSA-N 581.672 4.866 0 40 KJAB Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 109263858 GDOKVWHAEGNGFW-UHFFFAOYSA-N 562.113 4.657 0 40 KJAB CC(=O)Nc1ccc(/C=C/c2ccc(NC(=O)Nc3ccc(/C=C/c4ccc(NC(C)=O)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 169327229 MUEXBLMMJSPLNW-GGWOSOGESA-N 850.884 4.575 0 40 KJAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 216131908 RWNSKIVCXOOGMD-UHFFFAOYSA-N 528.439 4.726 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 222499850 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566.017 4.596 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 223208670 OJQRQMKBRQYWOK-SSEXGKCCSA-N 563.764 4.934 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCc1ccc(OC)c(OC)c1 223245271 AVPFWJUOMIHJMX-QZTJIDSGSA-N 505.453 4.731 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223279291 ANWGEBWAQOEGMS-HXUWFJFHSA-N 540.101 4.667 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 223302397 RIRFHAHHPHNIBZ-HHHXNRCGSA-N 574.118 4.802 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 223412277 GNGGPTNBZYAOTE-PWUYWRBVSA-N 539.676 4.926 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1)Cc1ccccc1 223442226 LSKWVOGXKOWZPR-WJOKGBTCSA-N 573.690 4.674 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(SC)cc1 223529935 HZUYOGHHABKIOR-QFIPXVFZSA-N 569.749 4.556 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223698954 TUZICFXZBGSJEZ-HHHXNRCGSA-N 655.814 4.681 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 223749116 FTUDLIFLHFKZBK-LJQANCHMSA-N 639.943 4.693 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 223790498 KBEGEIINYDCBEG-JOCHJYFZSA-N 602.153 4.804 0 40 KJAB CCc1ccc(OCCNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 223833672 GUPJGSSDABCQNE-UHFFFAOYSA-N 501.048 4.910 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 223986665 CDOSHRNTUKGHIZ-RBISFHTESA-N 677.605 4.621 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C(C)(C)C)cc1Br 224038201 FRGIMXQQJKOAFX-QGZVFWFLSA-N 505.453 4.687 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 224332402 JUTAZWAEIRHURI-MHZLTWQESA-N 570.155 4.969 0 40 KJAB 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521.477 4.535 0 40 KJAB CCc1ccc([C@H](C)NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(Cl)ccc3O2)cc1 260772927 XMXPXJJBHNYWDB-SSOJOUAXSA-N 515.031 4.745 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 261016818 VKGLGMYPBYINIX-UXHICEINSA-N 571.571 4.555 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 261095875 VAYKRASTHJMJHE-IDISGSTGSA-N 574.118 4.800 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408615671 BXYZXWXKWMSOPF-UHFFFAOYSA-N 572.731 4.884 0 40 KJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 408622692 QNBUMUCZIILTQL-UHFFFAOYSA-N 591.471 4.654 0 40 KJAB COc1ccccc1Oc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 408670884 XNSKHMHKLOIYAY-GOSISDBHSA-N 508.958 4.984 0 40 KJAB Cc1cc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)cc2)c(C)cc1Br 408684412 JYAFUCTUPYQRLD-XMCHAPAWSA-N 527.415 4.787 0 40 KJAB Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)S(C)(=O)=O)c1 408706025 SYENKLFVNBSLDK-UHFFFAOYSA-N 529.684 4.598 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)cc1 408715048 YXAUNHOKLWOLAM-UHFFFAOYSA-N 575.734 4.563 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408735839 YISICNGDHJFUJU-XZYZCHRKSA-N 672.756 4.912 0 40 KJAB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc(OC)c1O 408769255 MFULYAIGDVMLFP-RISWYLRJSA-N 575.484 4.804 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(C)=O)cc4)o3)c(=O)n2[C@H]1c1ccc(C)cc1 408825269 JKSOJVDPXNYIJI-BIWBSIMWSA-N 526.614 4.569 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)C)c(=O)n2[C@@H]1c1ccc(C)cc1 408833008 RGCWFUJECQTOQY-IGSWSUAKSA-N 555.494 4.656 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3cc(Br)c(N4CCCCC4)o3)c2=O)=N1 408861704 FYTMFKVZMSWNMV-XXMKCSCWSA-N 628.545 4.653 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408862198 XNLMWGIBMBDFPL-QTTRZTASSA-N 589.069 4.729 0 40 KJAB COc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1cc(Br)ccc1OC)C(C(=O)OC(C)C)=C(C)N=2 408957641 UBCIDCNGSRBFGH-GSOQPGDSSA-N 636.362 4.729 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C(=O)O)cc5)o4)c(=O)n32)c(OC)c1 408975387 AXUALXVKHPZOSU-UNDLXJOSSA-N 621.671 4.849 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409034625 HUOQBMDMAVRYOO-VPHSIRQSSA-N 616.692 4.861 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(Cl)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409080065 KXLAYECCNBBHEM-ZYDFGXJWSA-N 621.937 4.630 0 40 KJAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(I)c(O)c(I)c4)c(=O)n32)cc1 409086616 FPRRVFYXTLWZRR-XPCGLTFESA-N 749.368 4.797 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 409173275 OLKVMWVACRJETC-ZRXICNQRSA-N 669.825 4.667 0 40 KJAB Cc1cc(Br)cc(C)c1NC(=O)CSc1nnc(CNC(=O)COc2ccc(C(C)C)cc2)n1C 409175273 ZPLIQSWQLVTVFM-UHFFFAOYSA-N 560.518 4.744 0 40 KJAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(O[C@H](C)CC)c(OC)c2)C1=O 409236641 SLZBDTXYVANFPF-RVZJCZPVSA-N 530.419 4.729 0 40 KJAB COc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C 409259668 CFOUZBSHSIGZEO-HOTGVXAUSA-N 521.477 4.877 0 40 KJAB COc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c1OCC(=O)Nc1ccc(C)cc1 409388877 WYUOYPHMRJDVFD-QQXSKIMKSA-N 571.655 4.642 0 40 KJAB Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CC1 409390767 LJVTXRZUAJYEKL-UHFFFAOYSA-N 534.465 4.830 0 40 KJAB Cc1onc(-c2ccncc2)c1C(=O)N1CCC2(CCCCc3ccccc3OC[C@H](C)NC2=O)CC1 643562258 HOBSRQCEWNDLQZ-FQEVSTJZSA-N 502.615 4.578 0 40 KJAB CC(=O)N1CCCCCCCN(CC(C)C)Cc2cc(C(=O)NCCS(=O)(=O)c3ccc(C)cc3)ccc21 643572837 JOIBNSBSGIIHCN-UHFFFAOYSA-N 541.758 4.974 0 40 KJAB COc1cc2cc(CN(CCc3ccccc3)S(=O)(=O)c3cc(Cl)ccc3C)c(=O)[nH]c2cc1OC 919045 VKLVCHQNFVJLGO-UHFFFAOYSA-N 527.042 4.941 0 40 KJAB COc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C(=O)c4ccc(Br)cc4)[C@@H]3C2=O)cc1 2316725 UUIQUYXEUKJHPT-LIONHTAISA-N 529.390 4.856 0 40 KJAB COc1ccc(CCN2CN(S(=O)(=O)c3cccc(Cl)c3)c3nc4ccccc4nc32)cc1OC 2411016 RJDMOUCJZGWSKQ-UHFFFAOYSA-N 511.003 4.516 0 40 KJAB O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 3256701 MBUXJVBOKXBPHJ-UHFFFAOYSA-N 530.027 4.596 0 40 KJAB O=C(c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1)N1CCN(c2cccc(Cl)c2)CC1 3318115 GSEFVRBUAZHFAA-UHFFFAOYSA-N 534.863 4.866 0 40 KJAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(c2cc(Cl)ccc2C)CC1 6077564 WKSDEEZYMSCRAP-RUZDIDTESA-N 536.080 4.542 0 40 KJAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(c4cc(C)ccc4C)CC3)cc2c1 6134095 PXBZSACQCVQDLQ-GDLZYMKVSA-N 541.700 4.947 0 40 KJAB COc1ccc(CN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)S(=O)(=O)c2cccc(C(C)=O)c2)cc1 6301446 WPJSKMXMUAFNCH-UHFFFAOYSA-N 504.608 4.747 0 40 KJAB COC(=O)c1ccc(NC(=O)c2ccc(N(Cc3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)cc1 10359061 IAEMYFRFNAERTI-UHFFFAOYSA-N 507.395 4.999 0 40 KJAB COc1ccc(OC)c(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc2-c2c[nH]c3ccccc23)c1 11758038 NILXIWBWQKBMBN-UHFFFAOYSA-N 529.578 4.892 0 40 KJAB CCc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccc(F)cc2)cc1 11916993 QEHYUEIAJBKSFQ-UHFFFAOYSA-N 508.575 4.634 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1)N(C(=O)CNC(=O)c1cccs1)c1ccc(F)cc1 12488609 DSPWKUNKPUNGEZ-DEOSSOPVSA-N 511.619 4.705 0 40 KJAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc4c(c3)OCCO4)ccc2N2CCCCC2)cc1 12542197 ZIRLVYNVMPNTLJ-UHFFFAOYSA-N 523.611 4.510 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccccc1C)N(Cc1cccc(OC)c1)C(=O)Cn1nnc2ccccc21 13024334 XQOKRCCRQKAXSE-MUUNZHRXSA-N 513.642 4.823 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccccc1OC)Cc1cc2cc(C)cc(C)c2[nH]c1=O 13495412 OMZKLIFEFRVMTH-VWLOTQADSA-N 512.614 4.935 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(=O)(=O)c2ccccc2)cc1OC 20234193 CCDDPGSUFHTJNQ-UHFFFAOYSA-N 519.417 4.609 0 40 KJAB O=C(Nc1ccccc1C(F)(F)F)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 20494075 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CC1(C)C[C@@H]2C[C@](C)(CN2S(=O)(=O)c2cccc(C(=O)OCC(=O)NC34CC5CC(CC(C5)C3)C4)c2)C1 104518593 VTBWAIICRBJWCD-ODMKNGRLSA-N 528.715 4.518 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3ncc(C)s3)c(=O)cc1[C@@H](NC(C)=O)CC2 108449162 JEWNRFUMYHQCMT-GMAHTHKFSA-N 612.774 4.800 0 40 KJAB biogenic CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 111469897 YWDMCOLILATWLG-CBPRFPNYSA-N 620.683 4.991 0 40 KJAB COc1cc(CN(C(=S)NC(=O)c2cc(Br)ccc2Cl)C2CCCCC2)ccc1OCC(N)=O 112238013 CNWZHKXSKMXXII-UHFFFAOYSA-N 568.921 4.825 0 40 KJAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 164270416 YQYDKEKRKHAFMB-UHFFFAOYSA-N 505.640 4.968 0 40 KJAB COc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1S(=O)(=O)N1CCCCC1 215903582 SAKDGSSEJRKTND-UHFFFAOYSA-N 564.085 4.576 0 40 KJAB CCOC(=O)c1cc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)ccc1Cl 216011359 MXMPNNLXRRWMKK-QFIPXVFZSA-N 535.405 4.765 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 222474930 PZDZWANMVOPCBO-AREMUKBSSA-N 606.572 4.934 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 222497500 NVCTYJMWCQTWCE-LJQANCHMSA-N 548.492 4.660 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 222569531 GAOWFBFPRJAHPQ-ABYGYWHVSA-N 549.737 4.955 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 222593277 FFQBWNANPUTQIO-XMSQKQJNSA-N 542.529 4.524 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 222924709 KDYIANWFVNMMNS-HHHXNRCGSA-N 521.683 4.559 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223065803 HEISUVJPJVBSPT-VWLOTQADSA-N 595.762 4.850 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223073912 NEDDUSOKXKZCOS-QFIPXVFZSA-N 569.699 4.670 0 40 KJAB 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Cc1c(Cl)cccc1N(CCCC(=O)Nc1ccccc1C(=O)N1CCCCCC1)S(C)(=O)=O 223436180 HTGFKLNCYNALAX-UHFFFAOYSA-N 506.068 4.850 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 223605675 RUSWVEDSDFEUKU-QFIPXVFZSA-N 572.127 4.714 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 223825179 RENZBYCEEZVXJT-LJQANCHMSA-N 538.085 4.501 0 40 KJAB COc1cccc(CN(C(=O)COc2cc(C)c(Br)c(C)c2)[C@@H](C)C(=O)NCC(C)C)c1 224442987 BTTQNFAIGDIFBQ-IBGZPJMESA-N 505.453 4.643 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224462390 FBZXEKGJPCCXNI-QHCPKHFHSA-N 569.699 4.528 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 224645982 SBUSZZWMLGSUOV-NRFANRHFSA-N 542.529 4.647 0 40 KJAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 224719323 KCNOQCKAUHUEJX-CVVHJZTLSA-N 510.612 4.821 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 224940506 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567.708 4.587 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 225410352 RVRUCMHHLQMZST-MHZLTWQESA-N 556.128 4.662 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 225443706 NZBDFZXWGXPDTL-MUUNZHRXSA-N 586.154 4.671 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 225473280 RAEYVAWAVZZFHD-MHZLTWQESA-N 618.569 4.911 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 225554264 DDBJRMRCNAKARM-JGCGQSQUSA-N 629.779 4.902 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225687676 KZWBPVXHLSBTCC-GOSISDBHSA-N 560.519 4.868 0 40 KJAB COc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3[C@@]23N=C(c2ccccc2)OC3=O)cc1OC 230070107 MOAYBUZKDWDQOI-XLXCLFHOSA-N 537.616 4.918 0 40 KJAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CC(=O)O)C(=O)[C@@H]54)[C@H]23)ccc1OCc1ccc(Cl)cc1Cl 245241699 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CCOc1c(Br)cc(Br)cc1CNc1ccc(N2CCOCC2)c(C(=O)O)c1 408567832 RSUNNQLSXMNEOE-UHFFFAOYSA-N 514.214 4.757 0 40 KJAB Cc1nnc(S/C(=C\c2cc(I)c(OC(C)C)c(I)c2)C(=O)O)o1 408632091 SGQHIJQFXBQPDT-SDQBBNPISA-N 572.162 4.592 0 40 KJAB COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)cc1 408649057 XDSKHHDPNAQPAB-KYNGSXCRSA-N 503.382 4.663 0 40 KJAB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1 408651196 NGGBZORVCZRSOS-CLJLJLNGSA-N 593.057 4.607 0 40 KJAB CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2C)cc1 408675851 LHBUVBURZFCWFZ-UHFFFAOYSA-N 502.976 4.643 0 40 KJAB Cc1ccc(NC(=O)COC(=O)CCCCCN2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408687848 VQFQVMAIDPHUKT-BYVQZYKMSA-N 536.628 4.929 0 40 KJAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(C(=O)Oc3ccc(I)cc3)c1)C2=O 408721502 ISCGJIGMUZZTFE-FDDCHVKYSA-N 503.336 4.826 0 40 KJAB CCOC(=O)COc1c(I)cc(I)cc1/C=c1\sc2n(c1=O)[C@@H](c1cc(OC)c(OC)cc1Br)C(C(=O)OCC)=C(C)N=2 408769953 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533.002 4.664 0 40 KJAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)C1=O 409095652 IEPYZSSBRINHBX-YBFXNURJSA-N 537.375 4.858 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409110725 YEXGEFXJZLYQOV-UHFFFAOYSA-N 501.992 4.531 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4C)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 409111969 ABIPLERTNNBTEL-SUAMDDGLSA-N 607.084 4.815 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C(=O)OC)cc5C)o4)c(=O)n32)cc1 409117007 MULAMWVMUSWBJF-PKYOQBLNSA-N 600.693 4.941 0 40 KJAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(=O)Nc4ccccc4)c(OC)c3)C2=O)cc1 409180125 UKQRKAKAJXDJDW-XYGWBWBKSA-N 545.617 4.950 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 409201143 NZDRMWZOINZRIO-UEIZDATPSA-N 526.611 4.789 0 40 KJAB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)cc2)cc1 409205809 UFVUAZLUOFJXKK-IWIPYMOSSA-N 543.601 4.774 0 40 KJAB Cc1ccc(NC(SCC(=O)Nc2ccc(Cl)cc2Cl)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1C 409382792 RAAVFWAKZOSFJJ-UHFFFAOYSA-N 521.426 4.656 0 40 KJAB CN1CCCCN(C(=O)CCCn2cccn2)CCCCOc2ccc(Cl)cc2C(=O)N(C)[C@@H](Cc2ccccc2)C1=O 643558801 GCBDGLRUUQTQIZ-LJAQVGFWSA-N 608.183 4.940 0 40 KJAB COc1ccc(S(=O)(=O)CC(=O)N2CCC3(CCCCc4ccccc4OCCN(CC4CC4)C3)CC2)cc1 643570304 XKAYWCNNNAFJHV-UHFFFAOYSA-N 554.753 4.595 0 40 KJAB CCC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(=O)NC2CCCCC2)c1N)c1ccccc1F 906626 VFVLBITVOUOMQG-OAQYLSRUSA-N 529.682 4.801 0 40 KJAB O=C1[C@H](Cc2c[nH]c3ccccc23)N=C2c3ccccc3N=C(SCc3cc(=O)n4cc(Cl)ccc4n3)N12 2964271 JQACAUIXXINARN-QHCPKHFHSA-N 539.020 4.964 0 40 KJAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12 4293326 OUDICYAKLFFWEP-WNJJXGMVSA-N 626.069 4.945 0 40 KJAB biogenic CC(C)CCNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C(F)(F)F)c1 6134493 ZUXHFEZCJJVSMW-FQEVSTJZSA-N 551.566 4.533 0 40 KJAB CC(=O)N(c1ccc(N(C(C)=O)S(=O)(=O)c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccc(Br)cc1 8436973 BBQFGYFKTQJDRH-UHFFFAOYSA-N 630.336 4.695 0 40 KJAB COc1cccc(Nc2nc(Nc3cccc(OC)c3)nc(N3CCN(c4ccc(F)cc4)CC3)n2)c1 9427387 FSTNDSIHACBFGG-UHFFFAOYSA-N 501.566 4.842 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2cccc(OCC)c2)cc1 12713887 MYWGIAWXISOYOM-NDEPHWFRSA-N 529.641 4.918 0 40 KJAB COc1cccc(COc2ccc3c(C)c(CC(=O)N4CC[C@@]5(O)CCCC[C@H]5C4)c(=O)oc3c2C)c1 12863748 BSCVQOHXMYYUIK-CHJDUVSTSA-N 505.611 4.694 0 40 KJAB biogenic CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)cc1 13029506 NVJHHCYQZBHREF-GDLZYMKVSA-N 509.610 4.776 0 40 KJAB O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 13030087 CSPWBOANUBWCFF-HHHXNRCGSA-N 503.553 4.538 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccs1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21 13032586 FXXUCGJNXBFHQU-VWLOTQADSA-N 505.644 4.576 0 40 KJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 13681723 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COc1ccc(-c2cc(=O)oc3cc(O[C@H](C)C(=O)Nc4ccc(CN5CCOCC5)cc4)ccc23)cc1 20573609 VGYVCFBXMVEUFW-HXUWFJFHSA-N 514.578 4.707 0 40 KJAB biogenic Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)Cc2ccc(Br)cc2)cc1 22535880 JKRFLUITZHUABC-GOSISDBHSA-N 519.436 4.965 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(F)cc3)c(Cl)c2)cc1 22537575 CODONMGQYAHEQF-MRXNPFEDSA-N 506.983 4.935 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)CCC(=O)Nc1cc(C)on1)c1cc(OC)ccc1OC 38146005 ZOUJYVWOJSQMPG-NDEPHWFRSA-N 566.655 4.807 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1Br 59834400 YSZWJBJRAHDWJG-LJQANCHMSA-N 523.836 4.639 0 40 KJAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 97980019 OVUZVJHDOYIKGJ-TZZQJPOUSA-N 538.025 4.792 0 40 KJAB COc1ccc(C2=N/C(=C\c3ccc(OCC(=O)Nc4ccc(Br)cc4)c(OC)c3)C(=O)O2)cc1OC 97980577 DXQVBCCYDKQJFA-NDENLUEZSA-N 567.392 4.837 0 40 KJAB Fc1ccccc1[C@@H](c1nnnn1Cc1ccccc1)N1CCN([C@H](c2ccccc2F)c2nnnn2Cc2ccccc2)CC1 100435212 NHXNOURVOVVYTF-MEKGRNQZSA-N 618.696 4.531 0 40 KJAB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccnc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 101589900 INYHJVWLZRVBPT-YCHSVXFSSA-N 555.590 4.989 0 40 KJAB COCCNC(=O)c1ccc2c(=O)n(-c3cccc(F)c3)c(S[C@@H](C)C(=O)c3ccc(C)c(C)c3)nc2c1 102177331 FMHCOVDZXIYJDM-IBGZPJMESA-N 533.625 4.881 0 40 KJAB COc1ccc([C@H]2[C@H](C(=O)OC(C)(C)C)N3N=Cc4ccccc4[C@H]3C23C(=O)OC2(CCCCC2)OC3=O)cc1OC 102629756 VTNNDIVEQRISJU-NXCFDTQHSA-N 576.646 4.649 0 40 KJAB CCOC(=O)C1=C(CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)NC(=O)N[C@@H]1c1ccccc1 103132765 IPPNOWYTCMPENQ-AREMUKBSSA-N 540.645 4.717 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)ccc3Br)c(=O)n2[C@H]1c1ccc(F)cc1 103784037 JBICQNNWKUYFIA-VFHYMGCCSA-N 593.474 4.846 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(C(C)C)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 103786964 DRGDRMORJVBBJO-FUFNRSNVSA-N 559.688 4.741 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2cccc(Cl)c2)cc1 140050088 FNLKHHCGUFVKPE-UHFFFAOYSA-N 571.080 4.678 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)NC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 222434429 HMEHOIKWOXNRGK-LJAQVGFWSA-N 625.788 4.938 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 222536563 LJMUJDGETQDNFQ-HKBQPEDESA-N 592.806 4.637 0 40 KJAB Cc1ccc(CN(C(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 222768825 RUATWKMXZYIPER-NRFANRHFSA-N 536.138 4.835 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 223128920 KUBMFTYESHUHOC-RUZDIDTESA-N 542.101 4.706 0 40 KJAB O=C(NCCN1CCOCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 223144945 ULZNXCLTSROBFX-NDEPHWFRSA-N 554.518 4.624 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 223194405 VGHYKPILJYGDAK-VWLOTQADSA-N 515.720 4.607 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 223489930 CNSHMNFNFRIVDY-VWLOTQADSA-N 595.762 4.931 0 40 KJAB COCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 223513748 GATBWDPZDJPVCX-JGCGQSQUSA-N 635.714 4.547 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 224016565 JYBAUBYBHCHDQU-LJQANCHMSA-N 578.518 4.751 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c2ccccc2F)cc1 224084784 CUEKFRARPCTRNS-QHCPKHFHSA-N 539.673 4.519 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 224136563 RRBVATDRCJBRSG-QFIPXVFZSA-N 540.513 4.626 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O 224265404 JNBUYYRJSQWTQI-MUUNZHRXSA-N 570.155 4.835 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 224338625 DCVAMTIIELOILT-SANMLTNESA-N 586.154 4.669 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 224671740 JDGOLCDAUSXERE-QFIPXVFZSA-N 542.101 4.787 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 224745732 NAEJOJOKFZICBB-SANMLTNESA-N 569.699 4.609 0 40 KJAB COc1ccc(CNC(=O)c2ccc(CN(c3cc(Cl)ccc3Cl)S(C)(=O)=O)cc2)cc1OC 224751504 MAEKIXZAIULTID-UHFFFAOYSA-N 523.438 4.907 0 40 KJAB Cc1ccccc1CN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 224812267 IQKZTWDJRGDRBA-LJAQVGFWSA-N 582.166 4.968 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 224865223 JZGKNOGGXJOZCG-UHFFFAOYSA-N 554.543 4.835 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224892420 PQRSIBLVGPUSRD-OAHLLOKOSA-N 568.445 4.722 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 224893113 IWYBPOUAISJCDI-MRXNPFEDSA-N 548.920 4.665 0 40 KJAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(Cl)cc1)c1ccccc1Oc1ccccc1 224912745 NYMLNEWLAJRHRA-UHFFFAOYSA-N 503.020 4.874 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)c(C)c1 224948094 HWVBJEDISPAQCW-PMERELPUSA-N 579.738 4.907 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)N(C)C)c1 224955909 JDSHNIVJUYZNSY-HKBQPEDESA-N 608.780 4.754 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 224965705 JWIGMCNZUKSVMW-LJAQVGFWSA-N 567.727 4.880 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 225111184 BDCJOSRABWRCEU-XMMPIXPASA-N 564.148 4.679 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 225212285 AXEUBIJMBKNUIM-SANMLTNESA-N 531.694 4.628 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 225213441 ICLZIYLVHUGHJN-HHHXNRCGSA-N 545.721 4.937 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 225353366 PUGUBPMIRQAXOM-FGZHOGPDSA-N 602.153 4.885 0 40 KJAB CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)cc1 225403213 BWZSNDMVFJEBFZ-BJKOFHAPSA-N 507.616 4.560 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN1C(=O)c2cccc3cccc1c23 225491793 WGGSVTUUVVFFSB-QGZVFWFLSA-N 508.416 4.506 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 225501844 IDRZVHPYNZPBSR-HKBQPEDESA-N 569.727 4.885 0 40 KJAB COC(=O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)o1 225520085 LJEKLFCWDRSIRH-CLJLJLNGSA-N 512.591 4.739 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 225560093 TZGLMERVUVEONS-NDEPHWFRSA-N 647.611 4.757 0 40 KJAB CC1(C)CCC2(CCN(CC(=O)Nc3nc4ccc(F)cc4s3)CC2)CN1S(=O)(=O)c1ccccc1 257222453 DTJDVLRQHKFTCQ-UHFFFAOYSA-N 530.691 4.719 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](CC)C(=O)NC(C)C)S(C)(=O)=O)cc1 260707737 SCUWSAIPLHPBDM-HSZRJFAPSA-N 542.529 4.654 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)N(S(=O)(=O)c3ccc(Cl)cc3)CC4)C2)cc1 260752363 YGRMWFFOXRWFLC-NRFANRHFSA-N 604.150 4.530 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 260918403 GJEGWFCNBDAEKE-DQEYMECFSA-N 565.736 4.839 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 260953765 KDXMKXBEHLTVDA-RPBOFIJWSA-N 595.762 4.848 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 261087857 SNNJCOPORSIASV-MSOLQXFVSA-N 617.404 4.618 0 40 KJAB CCOc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)Nc2ccccc2OC)cc1 408576806 NFTCRNBKMRLRQX-UHFFFAOYSA-N 551.397 4.772 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Br)c3)c(Cl)c2)cc1 408636728 UITCNSIBODPPPD-UHFFFAOYSA-N 525.808 4.929 0 40 KJAB CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408677235 DVSMANJOVBTGFK-RNRKTNMSSA-N 587.470 4.774 0 40 KJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)cc1 408682745 GTLRXQLHUNHHPS-OIAISFKWSA-N 545.817 4.908 0 40 KJAB CCOC(=O)COc1c(Br)cc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N=2 408836409 QYKQKKFVTVSHLL-NYIUWGNGSA-N 678.399 4.574 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 409023674 BMXGWMJDIZBUHD-UHFFFAOYSA-N 542.057 4.727 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(C)c(Br)c4)c(=O)n32)cc1 409082711 QUMQBTYFERWCSN-OCEWKHMESA-N 574.500 4.953 0 40 KJAB Cc1ccc(C(=O)CN2C(=O)S/C(=C\c3cn(CC(=O)NC4CCCC4)c4ccccc34)C2=O)cc1 409148693 ZUIXMOPEPABDKU-QFEZKATASA-N 501.608 4.928 0 40 KJAB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)ccc1Cl 409150934 FFRKDCIHSJSABH-RGVLZGJSSA-N 549.001 4.608 0 40 KJAB O=C(COc1ccc(N2C[C@H](C(=O)NCCc3ccccc3)CC2=O)cc1)Nc1cccc(Cl)c1Cl 409161135 WVHQRZJYAUCRBV-LJQANCHMSA-N 526.420 4.723 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccc(C)c(Cl)c2)cc1 409262351 HZHDOCLOXRDEPX-UHFFFAOYSA-N 562.113 4.575 0 40 KJAB CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc1OC 409271564 KDJBLYUWSVEYCV-OVCLIPMQSA-N 545.333 4.949 0 40 KJAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1Br 409274245 CGXNLUVSRZWEJQ-BKUYFWCQSA-N 515.429 4.859 0 40 KJAB CCOC(=O)C1=C(C)N=C(SCc2cc(OC)ccc2OC)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 409336742 QDNKBIWUWHKXIG-HSZRJFAPSA-N 516.616 4.500 0 40 KJAB Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCC(C)CC4)C3=O)cc2)cc1C 409347890 RJRIFKLLYANLJF-IWIPYMOSSA-N 521.639 4.616 0 40 KJAB O=C1CN(C(=O)Cc2ccc3c(c2)OCCCO3)CCOCCOc2ccccc2Oc2ccc(Cl)cc2N1 643565708 LNDXXAJKNRNIQZ-UHFFFAOYSA-N 553.011 4.712 0 40 KJAB COc1ccc(CN2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1OCCCn1ccnc1 2037928534 LCEIXLRMAVEFBS-MHZLTWQESA-N 500.039 4.729 0 40 KJAB COc1ccc(CNC(=O)[C@@H](c2ccc(F)cc2)N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c2ccccc2)cc1 887759 PNMIIIGRQLWHJV-SSEXGKCCSA-N 564.621 4.887 0 40 KJAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(c2nc3c(nnn3Cc3c(F)cccc3Cl)c(=O)[nH]2)CC1 1355329 MHRXFVNWATWWHE-UHFFFAOYSA-N 549.916 4.786 0 40 KJAB CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(OC)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 1374913 FJVQUYITSISPDB-XMMPIXPASA-N 534.661 4.839 0 40 KJAB COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccc(F)cc2)c2ccccc2)cc1 1380284 LFEZPZMFFCMSDD-LJAQVGFWSA-N 523.568 4.670 0 40 KJAB CC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 6074974 YNZXPRNEFTVRHJ-VWLOTQADSA-N 551.022 4.523 0 40 KJAB COc1cccc([C@@H]2CC(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)=NN2S(C)(=O)=O)c1OC 6161728 UJXSFYFASSWSEQ-QFIPXVFZSA-N 538.025 4.976 0 40 KJAB COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NCc4ccc(F)cc4)C(=O)N23)cc1Cl 8594889 URTWCELWECFTLJ-HSZRJFAPSA-N 594.068 4.915 0 40 KJAB CSc1nc(O)c(C(c2ccc3c(c2)OCO3)c2c(O)nc(SC)n(-c3ccccc3)c2=O)c(=O)n1-c1ccccc1 8716680 OGYPVAISBMNFLR-UHFFFAOYSA-N 600.678 4.542 0 40 KJAB CCCNC(=O)c1ccc(N2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)[C@H](c4cccc(OC)c4)N3C2=O)cc1 8790643 PXDKMPOHSKIUHR-BDYUSTAISA-N 508.578 4.799 0 40 KJAB biogenic COC(=O)c1cc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc(C(=O)OC)c1 8832886 GLAASMSXXBBATE-UHFFFAOYSA-N 507.351 4.953 0 40 KJAB CCc1ccccc1NC(=O)c1cccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)c1 9591677 KAWQFZXCFZQBFB-OAQYLSRUSA-N 504.970 4.934 0 40 KJAB CC(C)(C)c1ccc(OC[C@@H](O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1 12170587 OKBFLFSFIVPINF-DEOSSOPVSA-N 500.639 4.885 0 40 KJAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)/C=C/c1cccc(C(F)(F)F)c1 12566143 VPFQFUCFGPVBLQ-CMDGGOBGSA-N 522.520 4.535 0 40 KJAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 14223886 KBNHGRHIYVWCKO-UHFFFAOYSA-N 507.840 4.766 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 14360048 VCSSGAIWROFGQL-UHFFFAOYSA-N 522.048 4.550 0 40 KJAB COc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1OC 15217738 FTZGSENMXNQEPI-QGZVFWFLSA-N 514.534 4.874 0 40 KJAB C[C@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)[C@@H]1C 15912937 SVNLYOMQMYIGSK-JKSBSHDWSA-N 506.521 4.821 0 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527.071 4.828 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)C1=O)Nc1ccc(N2CCOCC2)cc1 97962179 HBFATZZRWROMSB-FYJGNVAPSA-N 570.002 4.573 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(C3CCN(Cc4ccccc4)CC3)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1 100288894 VNGWSKOSFQLCIY-HKBQPEDESA-N 599.711 4.674 0 40 KJAB COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2cccc(C)c2C)c1OC 100365457 NQMBUQYOPLXPKN-GDLZYMKVSA-N 541.652 4.899 0 40 KJAB COc1cccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)c(F)c2)c1OC 100367152 ALBKUVREUSLTPU-NDEPHWFRSA-N 547.631 4.833 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 100683868 LWTLTXRMYCHYCO-BIWBSIMWSA-N 534.678 4.719 0 40 KJAB Cc1cc(Br)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)c(Br)c1 101623192 NWXTXPDPRSFELD-IBGZPJMESA-N 529.616 4.579 0 40 KJAB Cc1ccccc1CN1c2ccccc2-c2nc(SCC(=O)Nc3ccc4c(c3)OCO4)ncc2S1(=O)=O 102451738 ULIFJBFVTSHVDF-UHFFFAOYSA-N 546.630 4.620 0 40 KJAB 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COc1ccc(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1Cl 409167919 OZWGRROYKALSPP-UHFFFAOYSA-N 556.809 4.787 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 409216138 ICPKWXICGFIFOL-LPYMAVHISA-N 611.424 4.536 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1Oc1nc(Cl)ncc1F 409262296 HLOJVJPJKOZDDG-ZDLGFXPLSA-N 514.922 4.745 0 40 KJAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(O)c(I)c2)C1=O 409274790 XWEIACYJJSRSSJ-APSNUPSMSA-N 528.755 4.634 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(F)cccc2F)c2ccc(C)cc2)cc1Br 409320675 CGRGDXBANUECKA-UHFFFAOYSA-N 525.371 4.878 0 40 KJAB CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1nc2ccccc2s1 409356978 HSRVIYAFUFMRSC-UHFFFAOYSA-N 521.455 4.875 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc(Br)c1OCC(=O)OC 409374761 YPRZMFCILRRRAL-JAIQZWGSSA-N 591.480 5.000 0 40 KJAB CC(C)(C)NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)OC(C)(C)C 575627367 IAYMVYNHFPZOOB-XFFRTBGTSA-N 533.779 4.828 0 40 KJAB in-vitro CCOc1ccccc1CN1CCCN(C(C)=O)c2ccccc2CN(C(=O)c2cccc(OCCN(C)C)c2)CC1 643560528 UZFMKZGLCGOHKH-UHFFFAOYSA-N 572.750 4.927 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(CC(=O)NC3CCCCC3)Cc3cccs3)C2)cc1Cl 800013 LELVWXKFWDHKBJ-HXUWFJFHSA-N 552.162 4.588 0 40 KJAB O=C(CSc1nnc(CNc2ccc(F)cc2)n1C[C@@H]1CCCO1)Nc1ccc(Br)cc1 877793 YVBQAHLECDVSAV-IBGZPJMESA-N 520.428 4.702 0 40 KJAB COc1cc2cc(CN(Cc3ccc4c(c3)OCO4)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2cc1OC 895893 MYTJVCNSXUNDGI-GOSISDBHSA-N 531.634 4.912 0 40 KJAB COC(=O)c1sc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c(C(N)=O)c1C 2806208 QIRGGBPEKPJJPI-NSHDSACASA-N 524.546 4.537 0 40 KJAB C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 3438418 HMURTEQBFDDADR-AWEZNQCLSA-N 504.391 4.658 0 40 KJAB COc1cccc(OCc2nnc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n2CCc2ccccc2)c1 6073791 NJUDFNCOPGZNDD-UHFFFAOYSA-N 531.638 4.798 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 8443776 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CC[C@H](c1nnnn1C1CCCC1)N(Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 13494875 JPTFFYUOVCCBHV-XMMPIXPASA-N 500.603 4.820 0 40 KJAB CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3ON2c2ccccc2)cc1OCC 17838051 OXSDCKPRHHQRMH-PVHODMMVSA-N 502.567 4.934 0 40 KJAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Br)c1 19930969 WJFVNTGPHOOSFI-KSFYIVLOSA-N 521.864 4.870 0 40 KJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(SC)cc1 20010032 FHXHPOFZVIZDBZ-JTSKRJEESA-N 519.088 4.838 0 40 KJAB CCOc1cccc(CNC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(Cl)cc2)c1 20490529 HMCHZIYGMKBSSX-UHFFFAOYSA-N 503.020 4.649 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl 22269673 TWVGZXGRCMDGNS-NRFANRHFSA-N 523.438 4.929 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1OC)N(Cc1ccccc1)C(=O)CCC(=O)Nc1cc(C)on1 38145888 GGMMQBQDHGKWHR-MHZLTWQESA-N 550.656 4.794 0 40 KJAB COC(=O)c1ccc(CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CC(C)(C)OC4)o1 53307135 LQWILMUIFKLUCP-UHFFFAOYSA-N 526.640 4.599 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 59651910 QXXPQRYPJBBOEG-UHFFFAOYSA-N 539.629 4.731 0 40 KJAB COc1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1OC 59836042 KIFPJLBUVHUFPK-UHFFFAOYSA-N 567.889 4.627 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 59882139 DDAWUOCTODUMSB-UHFFFAOYSA-N 579.700 4.947 0 40 KJAB Cc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)S(C)(=O)=O)c1 59888984 YVVUCLHNKRVTLL-UHFFFAOYSA-N 556.493 4.816 0 40 KJAB CC(C)n1c(SCC(=O)N2CCN(c3ccccc3F)CC2)nc2c(-c3ccccc3)c[nH]c2c1=O 72333441 OCBZIXODKKCKBU-UHFFFAOYSA-N 505.619 4.553 0 40 KJAB O=C(O[C@H]1[C@H](OC(=O)c2ccccc2)[C@H](CO)O[C@H]1n1cnc2c(N(C(=O)c3ccccc3)C(=O)c3ccccc3)ncnc21)c1ccccc1 79183261 GNYQOUZNLMTKQG-WTNSZDBTSA-N 683.677 4.654 0 40 KJAB CCCCc1cc(=O)oc2c3c(cc(OCC(=O)NC[C@@H]4CCCN5CCCC[C@H]45)c12)OC(C)(C)CC3 79189720 TWPYQZNXKNCYSC-JTHBVZDNSA-N 510.675 4.999 0 40 KJAB biogenic CCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCN(CC)CC)cc1OC 98046740 WPSTYWZFYVHLDG-QHCPKHFHSA-N 529.431 4.850 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@H]1c1ccccc1 100058495 QHDGHTHEZZQERM-NLZIUFDSSA-N 596.446 4.663 0 40 KJAB O=C1[C@@H]2[C@@H](CC(c3ccccc3)=C3[C@@H]2[C@@H]2C=C[C@@H]3[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)C(=O)N1Cc1ccccc1 100283174 MCHRPHYSAYLRFZ-COSRTVSLSA-N 554.646 4.879 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3c(C)n(C)c4ccccc34)c(=O)n2[C@@H]1c1cccs1 100305803 ARDDXLMDBPMGIM-QEYQTOMISA-N 539.682 4.797 0 40 KJAB COc1cc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)[C@@H](C)n2nnc3ccccc32)cc(OC)c1OC 100338751 PQCKXAXRPLYQDW-PIIWDFAUSA-N 575.666 4.830 0 40 KJAB CCCc1cc(=O)n2c(C(=O)Nc3cccc(C(=O)OC(C)C)c3)c(C(=O)Nc3ccc(C(=O)OC)cc3)sc2n1 101087206 WXNGOSDAOVKSEG-UHFFFAOYSA-N 576.631 4.565 0 40 KJAB COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H](c6ccccc6)[C@@H](C5)[C@H]4C3=O)c2)cc1 102097241 NOJLYHLLLZUMDR-LQEOGBTJSA-N 509.558 4.664 0 40 KJAB 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522.677 4.875 0 40 KJAB Cc1cccc(C)c1N1C(=O)[C@H]2N=NN(CC(=O)N3N=C(c4ccc(Br)cc4)C[C@H]3c3ccccc3)[C@@H]2C1=O 101070439 MKGINFLQCADYOG-RMDSEJHCSA-N 585.462 4.737 0 40 KJAB CCS(=O)(=O)Nc1ccccc1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](c2ccc(OC)cc2)C1 101491698 AAGHVUIPXSBDPN-DEOSSOPVSA-N 534.059 4.650 0 40 KJAB COc1ccccc1NS(=O)(=O)c1cc(NC(=S)N=P(c2ccncc2)(N(C)C)N(C)C)ccc1Cl 102934751 RKUIPKANVMIUTF-UHFFFAOYSA-N 567.077 4.721 0 40 KJAB CC1(C)CC(=O)C(C[C@H](C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(=O)c2ccco2)C(=O)C1 102936575 PAIPWKGPSVKMPM-AWEZNQCLSA-N 511.880 4.923 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OCC)c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 111460995 QLJVXYVDWWJHDZ-LAUBZIAYSA-N 616.692 4.642 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 222468544 CLAGVRADOIUEGG-DEOSSOPVSA-N 582.937 4.799 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 222470989 HQHYEJKZYPPCHA-GDLZYMKVSA-N 652.144 4.832 0 40 KJAB 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613.759 4.875 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(C)cc3)n2CC)sc(C(C)=O)c1C 409138299 ZZPYNRCABRGUEK-MRXNPFEDSA-N 557.698 4.577 0 40 KJAB COc1cc(C(=S)N2CCN(c3ccccc3F)CC2)ccc1OCC(=O)Nc1cccc(C)c1C 409252808 DYKOEDLOAYLSTO-UHFFFAOYSA-N 507.631 4.966 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NC(C)C)S(=O)(=O)c1ccc(SC)cc1 409410769 POUAVUILNCHTOV-UHFFFAOYSA-N 541.695 4.779 0 40 KJAB Cc1cc(OC[C@@]2(O)CCCN(Cc3cccc(OCCCN4CCCC4=O)c3)C2)cc(C)c1Cl 585273177 XZJCAEDEYUDAOT-MUUNZHRXSA-N 501.067 4.754 0 40 KJAB O=C(CCN1CCCC1)N1CCN(Cc2ccccc2)CCCN(C(=O)C2CC2)c2cc(Cl)ccc2C1 643567621 MEKSONXVVBYRIL-UHFFFAOYSA-N 523.121 4.803 0 40 KJAB COc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)S(=O)(=O)c2c(C)ccc3nsnc23)cc1 925500 YWJHUDKJJJZIFI-UHFFFAOYSA-N 534.663 4.858 0 40 KJAB COc1cccc([C@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)c(F)c2)c1 1372591 FGKWKUKKDZPGJJ-SSEXGKCCSA-N 537.595 4.978 0 40 KJAB CCOc1cc(/C=C2\N=C(c3cccc(I)c3)OC2=O)cc(Cl)c1OC(C)=O 2054834 REVFALNFUSBNGH-PXNMLYILSA-N 511.699 4.613 0 40 KJAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)c1ccccc1 2645642 NWIBBLIXKSERAO-VWLOTQADSA-N 580.688 4.547 0 40 KJAB O=C(CC[C@H]1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O)NCc1ccc2c(c1)OCO2 2967161 PRUDCPCIUKNUDN-JOCHJYFZSA-N 530.581 4.543 0 40 KJAB COc1ccc(Cn2c(SCC(=O)c3ccc(Cl)cc3)nc3ccc(N4CCOCC4)cc3c2=O)cc1 2976167 GGOZNBAKSJNHTN-UHFFFAOYSA-N 536.053 4.918 0 40 KJAB CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c2)cc1 3022502 AILBRRQGUQBMKA-UHFFFAOYSA-N 518.010 4.641 0 40 KJAB COc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OC)cc4)cc3)cc2)cc1 3262803 MZLPUSWFUGYQCQ-UHFFFAOYSA-N 518.543 4.975 0 40 KJAB COC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 5575070 KQGBXQVGWHWPME-XZWHSSHBSA-N 625.747 4.540 0 40 KJAB CC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N(CCc1ccccc1)Cc1ccccc1 6015045 OFLCRZJVYXYQIO-NDEPHWFRSA-N 536.636 4.833 0 40 KJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)cc1NS(C)(=O)=O 10314756 GMXDAXFWYKBZSI-UHFFFAOYSA-N 509.609 4.573 0 40 KJAB CC(C)(C)c1ccc(OC[C@H](O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1 12170588 OKBFLFSFIVPINF-XMMPIXPASA-N 500.639 4.885 0 40 KJAB COc1cccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)c(C)c2)c1OC 13029341 KRNHVWMREJPEAF-MHZLTWQESA-N 529.641 4.755 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 14155187 CYCXOGXMVRULQC-OAQYLSRUSA-N 529.684 4.514 0 40 KJAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)c1nn(C(C)C)c(=O)c2ccccc12 16043536 ZXIDORSBZMUDSO-UHFFFAOYSA-N 511.003 4.992 0 40 KJAB CSc1ccc([C@H](C)NC(=O)COc2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1 22232887 ZRQCQXJLRZHACO-SFHVURJKSA-N 502.633 4.770 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)c(Cl)c1 22510275 HJXSIWSFSSMQBD-UHFFFAOYSA-N 501.004 4.913 0 40 KJAB CC(=O)c1cccc(N(CC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)S(C)(=O)=O)c1 22515426 XMMYCKFTJPUKNJ-UHFFFAOYSA-N 506.624 4.822 0 40 KJAB O=c1c2c3c(sc2nc(SC[C@H]2CN(Cc4ccccc4)CCO2)n1Cc1ccccc1)CCC3 25747156 AJHPMUBNVCPGOM-JOCHJYFZSA-N 503.693 4.988 0 40 KJAB CC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O 57640891 UERTWRVMGGGLMF-SANMLTNESA-N 502.619 4.800 0 40 KJAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 60016666 GIDIXEBQUIBGQA-UHFFFAOYSA-N 592.139 4.584 0 40 KJAB COc1cc(C(=O)Nc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)s2)cc(OC)c1OC 97961336 YYKMZQFDIMPHMO-UHFFFAOYSA-N 528.534 4.566 0 40 KJAB CCN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3ccc(Br)cc3)nnn2c2ccccc12 97987007 STPGUZMOCZDKLE-UHFFFAOYSA-N 522.428 4.899 0 40 KJAB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C[C@@H]5c5ccccc5)[C@H]4C3=O)cc2)cc1 101967578 UZLGHXUKQFTMNQ-LIDOQRMKSA-N 536.584 4.614 0 40 KJAB O=C1/C(=C\Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc2C(=O)N1c1cc(Cl)ccc1N1CCOCC1 102926574 KUOBUYFDGQIZPI-MEFGMAGPSA-N 607.132 4.991 0 40 KJAB Cc1oc2cc(OC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)ccc2c(=O)c1-c1c(F)cccc1Cl 103042571 AGOCIBJLCKRCMA-ASHKIFAZSA-N 526.948 4.967 0 40 KJAB CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)OCC(=O)Nc1ccc(Br)cc1Br 103059918 WFGDQDKOXUUGGT-SFHVURJKSA-N 558.292 4.553 0 40 KJAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccc(C(=O)Nc4ccccc4OC)cc3)c2)cc1 103114613 JUHSUWVNFSDMNE-UHFFFAOYSA-N 589.626 4.552 0 40 KJAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3)cc2)cc1OC 108356618 CGGQZJMANYGGEK-UHFFFAOYSA-N 595.699 4.890 0 40 KJAB COc1ccc(C(=O)O)cc1NC(=O)/C(=C/c1cc(OC)c(OC)c(OC)c1)NC(=O)c1ccccc1Br 113560502 RCBHSHJILZXZAO-JAIQZWGSSA-N 585.407 4.591 0 40 KJAB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 138570372 LXMOLHFVJCYEDT-UHFFFAOYSA-N 514.884 4.826 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 150396308 FNIXLKDJWYOOHB-FBRKSOCZSA-N 635.536 4.724 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 163644240 TWUUDIFIGGQSBZ-LMSRTUJASA-N 656.498 4.680 0 40 KJAB COc1ccc(/C=C2/N=C(SCC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)N(c3ccccc3)C2=O)cc1 215755128 KQTJBVGULFVUBC-VFCFBJKWSA-N 554.672 4.724 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 222693590 IXQDQRPKTHHPJH-QHCPKHFHSA-N 641.787 4.557 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 223007078 MWMIHFUIOWZZOH-QFIPXVFZSA-N 646.604 4.832 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 223020023 BOLKETNFTCJSFU-VWLOTQADSA-N 561.626 4.763 0 40 KJAB O=C(NCCC1=CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 223149810 HBCDCJDYVHYDKE-UMSFTDKQSA-N 663.812 4.872 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 223184661 NDGJOERCOTWWNU-NRFANRHFSA-N 522.111 4.528 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223294544 DGOXPJIDIDQEEV-HHHXNRCGSA-N 655.814 4.947 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 223352688 DEMXLBVTAXHLNG-DEOSSOPVSA-N 536.138 4.917 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223741277 WIFUCCKWHMBIAD-HHHXNRCGSA-N 529.747 4.882 0 40 KJAB O=C(O)c1cc(C(=O)O)cc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)o2)c1 223951335 MMAIVXSVWWUJNH-KAYWLYCHSA-N 570.627 4.752 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)c2ccccc2C)cc1 224287197 GUYGKFHPVVFDPV-DEOSSOPVSA-N 553.700 4.827 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 224368299 XOFBVZCNSWNVSO-SANMLTNESA-N 574.118 4.800 0 40 KJAB COc1cccc(CN(C(=O)COc2cc(C)c(Br)c(C)c2)[C@H](C)C(=O)NCC(C)C)c1 224443040 BTTQNFAIGDIFBQ-LJQANCHMSA-N 505.453 4.643 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 224677537 YDTYLFXNEBETEA-HSZRJFAPSA-N 539.673 4.581 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224758337 ZBWRULJRNCKCTN-HHHXNRCGSA-N 615.699 4.511 0 40 KJAB CCc1ccc(OCCNC(=O)c2ccc(CN(c3ccc(Cl)cc3C)S(C)(=O)=O)cc2)cc1 224770376 VHQSPGISLMVIOC-UHFFFAOYSA-N 501.048 4.986 0 40 KJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 225059765 IRZNESFRNHPCJZ-NRFANRHFSA-N 560.091 4.660 0 40 KJAB CCc1ccc(CC)c(CNC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c1 225107252 QVPWLGMPEPKELT-UHFFFAOYSA-N 562.473 4.928 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 225110714 HIGXIKKVISTJQY-HKBQPEDESA-N 591.774 4.777 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 225261471 RPFYACDXWXUSOJ-HZPDHXFCSA-N 593.371 4.854 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 225296203 DIBCEOUUFJOMSA-HZPDHXFCSA-N 640.371 4.696 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 225335517 NJCQURIQLKLLBF-VWLOTQADSA-N 564.148 4.679 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 225364916 RGGTUPZHPPCINF-MHZLTWQESA-N 551.709 4.533 0 40 KJAB Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)cc1 225802962 JLNYXOKSHNANBS-UHFFFAOYSA-N 525.055 4.737 0 40 KJAB COc1ccc(N(CC(=O)N2c3ccc(Br)cc3C[C@@H]2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 226012186 JEEYFTGTIJKEDF-KRWDZBQOSA-N 575.481 4.648 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1C 260958586 WRFVIOSWVPMBJB-JOCHJYFZSA-N 536.138 4.693 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 260998832 DUCORNQUWQLSCW-CUNXSJBXSA-N 614.164 4.780 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC)S(C)(=O)=O 261006454 GAKQYAUTEMUGST-NEKDWFFYSA-N 583.726 4.545 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 261092401 UIFHASMHVXUZID-VIZCGCQYSA-N 563.764 4.933 0 40 KJAB O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)N1CCOCC1 408549361 YGIFICYUMPAJBV-UHFFFAOYSA-N 571.655 4.785 0 40 KJAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl 408584896 WIJLECVRRCESQP-AWEZNQCLSA-N 507.395 4.539 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c2cccc(C(F)(F)F)c2)cc1 408617103 HOZFNXKWYLNIMH-QFIPXVFZSA-N 575.609 4.757 0 40 KJAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408620149 KQSNJGAZAGKFHB-UHFFFAOYSA-N 566.045 4.941 0 40 KJAB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)Nc1ccc(Br)c(Cl)c1 408659384 SGULRXYFPRURDH-OAHLLOKOSA-N 501.764 4.791 0 40 KJAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2C)CC1=O 408666029 SAPDEOSJMKHIJF-ZDUSSCGKSA-N 514.203 4.908 0 40 KJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)cc4)CC3)cc2)c1 408682296 WTSSZRHAOQOLER-UHFFFAOYSA-N 562.113 4.630 0 40 KJAB CCCC[C@@H](C(=O)OCC(=O)Nc1ccc(F)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408683470 IDLOCDVTLSPAQN-AZFUDACUSA-N 540.591 4.758 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C(C)C)c(O)c(C(C)C)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408847567 QJSUAPOULUKVTP-LMSRTUJASA-N 534.678 4.759 0 40 KJAB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3c(C)[nH]c4ccccc34)c(=O)n21 408956448 RMAIZIACKRGKSO-VVNKCDPRSA-N 580.504 4.748 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3O)c(=O)n2[C@@H]1c1cccc2ccccc12 409039996 FAEQUFYEOMXEQR-YOKWNPFVSA-N 722.342 4.866 0 40 KJAB COC(=O)c1ccc(NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 409058880 ZBPQHCYMXUXDSZ-UHFFFAOYSA-N 521.422 4.918 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 409102768 ZXWAJQAPDLEROO-MDBUFAAASA-N 611.410 4.565 0 40 KJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 409126069 DOCMUXPCGJVULN-SFHVURJKSA-N 530.046 4.711 0 40 KJAB COc1cccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 409134938 OSRZUUTXNBIYED-UHFFFAOYSA-N 557.672 4.810 0 40 KJAB C[C@H](Oc1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc(I)cc2)n1C 409164236 FHSFOGDJMBKCSB-LBPRGKRZSA-N 528.803 4.944 0 40 KJAB COc1c(Br)cc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 409170135 UGELNYQOIBMBDL-FZSIALSZSA-N 570.215 4.624 0 40 KJAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(I)cc2)C1=O 409269708 LXGLYVSVHHBAKZ-PXNMLYILSA-N 512.756 4.928 0 40 KJAB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(C)c2)C(=O)Nc2cccc(C(F)(F)F)c2)c1 409381348 SYCIQVYDSLEXEC-VXKWHMMOSA-N 529.467 4.797 0 40 KJAB Cc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 409381954 JCLZABDTCYHVKM-FGZHOGPDSA-N 529.467 4.797 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409412389 VWKBIDNKTCQMQF-UHFFFAOYSA-N 585.792 4.734 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)CCO2)C1=O 643555587 BZBPACHDNGAXRO-JGCGQSQUSA-N 571.759 4.665 0 40 KJAB O=C(c1cccc(OCCN2CCCC2)c1)N1CCOCCOc2ccccc2Cc2cccc(c2)C1 643561910 CIMYCGBZEWPLKJ-UHFFFAOYSA-N 500.639 4.803 0 40 KJAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccccc1 890235 GVEFSUJFIASFLE-UHFFFAOYSA-N 584.123 4.648 0 40 KJAB COc1cc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2cnccn2)c2ccc(C)c(C)c2)cc(OC)c1OC 920776 CWIPXGYKQOECLG-MHZLTWQESA-N 532.641 4.956 0 40 KJAB CC(C)OC(=O)c1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(CCc4ccccc4)C3=O)cc2)c1 1953588 ZWBUIWHBNDQRHY-UHFFFAOYSA-N 531.996 4.978 0 40 KJAB COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@H]3CCc3ccccc3)C2=O)cc1OC 2095956 HBSOTYGILLAINB-SXOMAYOGSA-N 523.633 4.697 0 40 KJAB biogenic CC(=O)Nc1ccc(Nc2cc(Cl)c(S(=O)(=O)C(F)(F)F)cc2S(=O)(=O)C(F)(F)F)cc1 3111382 JEGWGHFBOZNBJD-UHFFFAOYSA-N 524.848 4.629 0 40 KJAB O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)Nc1c(Cl)cc(Cl)cc1Cl 3265964 WDYGLEUJKVKYOM-UHFFFAOYSA-N 527.813 4.921 0 40 KJAB Cc1c(C(c2ccc(N(C)C)cc2)c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C 4420610 XGFOIYKDPANXQH-UHFFFAOYSA-N 507.638 4.528 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(CC)cc2)cc1 6822048 MMDVALNOVHEETC-VWLOTQADSA-N 549.697 4.622 0 40 KJAB Cc1cc(C)nc(SCC(=O)N(Cc2cccnc2)C2(C(=O)Nc3ccc4c(c3)OCO4)CCCCC2)n1 8695666 RBNXEPJGOSUUQX-UHFFFAOYSA-N 533.654 4.680 0 40 KJAB O=C(Nc1nnc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1)c1ccccc1Cl 9805663 ORCHNSCGJICLCL-UHFFFAOYSA-N 508.456 4.538 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)c(OC)c1 13032635 INOPCYQPCXZLDD-VWLOTQADSA-N 521.643 4.589 0 40 KJAB COc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1C(=O)N1CCC(C)CC1 14396785 BPQVMOGDIXLZRT-UHFFFAOYSA-N 501.830 4.784 0 40 KJAB O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 15996768 CSQSRUHFHGIYAE-OLQMUTRHSA-N 514.537 4.967 0 40 KJAB CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(c2cccc(C)c2C)CC1 20079851 MIPRVTHLRDFEEX-MHZLTWQESA-N 513.690 4.805 0 40 KJAB CCCCNC(=O)CC[C@@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3cccc(C)c3)N2C1=O 20642781 TYYDHBVQHASPBS-GOTSBHOMSA-N 519.671 4.801 0 40 KJAB COc1ccc(N(C(=O)COc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 27019740 GZQYYMQJSLDCQV-UHFFFAOYSA-N 510.793 4.912 0 40 KJAB COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 28627811 RYODZFCOBCEYEM-ZMIGGIFCSA-N 516.022 4.536 0 40 KJAB CCCOc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(-c4cccc(F)c4)o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 32624074 YFKDPQBDBKWUKB-IMSXRSKXSA-N 506.452 4.978 0 40 KJAB O=C(CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl)Nc1cccc(Cl)c1 59671378 LAHLHASHTDRICY-RDJZCZTQSA-N 538.400 4.726 0 40 KJAB COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CC(C)C)N[C@]12C(=O)Nc1ccc(Br)cc12 61999541 NLTNHGAFDDAGFA-JCEJCQQGSA-N 506.828 4.921 0 40 KJAB biogenic O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc(C(=O)O)c2)C1=O)Nc1ccc(Br)cc1 97959730 CPIDKGYOLYAKPY-UNOMPAQXSA-N 526.368 4.613 0 40 KJAB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 100274337 SZMUAHCPNRSJBP-UHFFFAOYSA-N 532.493 4.529 0 40 KJAB COC(=O)Cc1c(C)c2ccc(OC(=O)[C@H]3CC[C@H](CNC(=O)OCc4ccccc4)CC3)c(C)c2oc1=O 100766053 PYMHKOFNVIPPQV-GRGXKFILSA-N 535.593 4.764 0 40 KJAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCN(Cc5ccccc5)CC4)CC(=O)N32)cc1 102575712 OUKRHPXWNNILHM-BHDXBOSCSA-N 534.660 4.526 0 40 KJAB COc1cc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2c2ccccc2)cc(OC)c1OC 102760114 ORNQRVQPUKWWID-FULLSBAXSA-N 510.546 4.917 0 40 KJAB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 102885249 RLZDRXPLIPXJAK-IARZGTGTSA-N 556.596 4.514 0 40 KJAB CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)sc2c1CC[C@@H](C)C2 103090912 WWDLJQJWFYKTHE-QZTJIDSGSA-N 628.725 4.806 0 40 KJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 103125260 FZEIAXLBJBQVQC-UHFFFAOYSA-N 572.602 4.863 0 40 KJAB COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)COC(=O)c2c(NC(C)=O)sc(C)c2C)cc1OC 103126320 KLWSBILYCFMQLB-IBGZPJMESA-N 541.651 4.937 0 40 KJAB CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)nnc2-c2cccnc2)cc1 103133038 HZYWUDGQFONTRA-UHFFFAOYSA-N 592.747 4.942 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2cccc(C(=O)OC)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1 112246934 AMZKQAJXVMUZDF-UHFFFAOYSA-N 528.652 4.736 0 40 KJAB O=C(NCc1cccc(Cl)c1)/C(=C/c1ccc(SC(=S)N2CCOCC2)o1)NC(=O)c1ccccc1 113561467 YNOPMFFOIMYZAQ-JWGURIENSA-N 542.082 4.730 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 216007240 AKMSILRQAJJUPR-UHFFFAOYSA-N 543.026 4.589 0 40 KJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCCCC4)cc3)cc2)c1 216009506 REKQKHJTXBZMMD-UHFFFAOYSA-N 541.695 4.672 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 222535940 UJVJQPDMRGDDGI-HHHXNRCGSA-N 574.118 4.720 0 40 KJAB O=C(Nc1nnc(S(=O)(=O)NCCSCc2cccc(Cl)c2)s1)c1ccc(Cl)cc1Cl 222682712 WSDOHZORLSOCNW-UHFFFAOYSA-N 537.903 4.962 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 222720808 ZZBHURKURWBQDR-FQEVSTJZSA-N 548.920 4.745 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc4sncc4c3)cc2)cc1Cl 222732339 NQPAJPQEDLIRPZ-UHFFFAOYSA-N 503.989 4.777 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 223010706 CJNCJRPZELLRAO-LJQANCHMSA-N 684.394 4.802 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 223090630 WWBFHXAUOMTDAP-SSEXGKCCSA-N 573.690 4.797 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 223244423 HHPWCVADEPQXQS-PMERELPUSA-N 557.716 4.690 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 223306639 AYOWDBQVLBTDHV-MRXNPFEDSA-N 640.371 4.698 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223309175 QZOPEIXEAJBGQV-AREMUKBSSA-N 592.545 4.892 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223437162 JZLDIKWOEWHXCT-HHHXNRCGSA-N 604.144 4.810 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 223814804 BBGGYSYTTZQYGL-SANMLTNESA-N 533.710 4.712 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 223826253 KNYJSOVEZQQVJI-LJQANCHMSA-N 542.529 4.792 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 223861983 YDLMMKLSEWNHEF-IBGZPJMESA-N 538.085 4.501 0 40 KJAB CCOc1ccc(N(CC(=O)NCCOc2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(F)cc2)cc1 224138756 YNKDINUOHKBOMW-UHFFFAOYSA-N 521.010 4.577 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 224157578 ATCBGVUWXJQPSG-HHHXNRCGSA-N 572.127 4.796 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 224317348 KSXTZLBWHKMEMT-RUZDIDTESA-N 572.127 4.796 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)c1 224436743 MFJMOGWUKNCTKY-QFIPXVFZSA-N 572.127 4.733 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 224578224 VGYMWZKSTVGPDQ-SANMLTNESA-N 572.127 4.796 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 224658788 UBTBHRAYVKLNSA-SFHVURJKSA-N 540.513 4.626 0 40 KJAB COc1ccc(-c2nnc(NC(=O)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3Cl)s2)cc1 224956223 RETJGMGCDKSZFD-UHFFFAOYSA-N 507.037 4.540 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225183080 LMVLAXKYQXJRPK-DEOSSOPVSA-N 552.137 4.537 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225226611 WLNKMPNVWKNUJY-IBGZPJMESA-N 586.980 4.982 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)cc1Cl 225250607 RUQAAKPCINZPRD-UIOOFZCWSA-N 534.041 4.993 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 225275802 BXOAURKRKAPJRP-HHHXNRCGSA-N 647.579 4.614 0 40 KJAB CCOc1ccc(-c2noc(CNC(=O)c3ccc(CN(c4cc(C)ccc4C)S(C)(=O)=O)cc3)n2)cc1 225400295 BRRNVUZMLNEESX-UHFFFAOYSA-N 534.638 4.648 0 40 KJAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)cc1 225561043 BQXAFGYPKROZGK-UHFFFAOYSA-N 521.639 4.510 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 225744531 IKJXBAABSCKXIB-HHHXNRCGSA-N 500.639 4.803 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 225755836 DCSQCRZTVLKALA-FUFSCUOVSA-N 625.788 4.938 0 40 KJAB CCOC(=O)Cc1ccc(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 226016190 YYWYZLUVBXJSDL-UHFFFAOYSA-N 535.449 4.929 0 40 KJAB CC1(C)Cc2cc(CN(CC(=O)O)C(=O)[C@H]3OCC(=O)N(Cc4cccc(Cl)c4)[C@@H]3c3ccccc3)ccc2O1 257332897 XZGIBAFRIOGUJG-WDYNHAJCSA-N 563.050 4.636 0 40 KJAB Cc1c(Cl)cccc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O 260764678 UUNUJNHIXGAAIQ-MRXNPFEDSA-N 548.920 4.663 0 40 KJAB CC(=O)c1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 260925121 NNTDCPBEJWRYMT-WJOKGBTCSA-N 607.748 4.883 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 261016835 VKSWOXYSHFPKHU-PMACEKPBSA-N 525.646 4.600 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 261060378 NRGLSKVWEOHUNB-ZEQRLZLVSA-N 553.700 4.970 0 40 KJAB COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 408555597 BECUKWBRFQAXGW-UHFFFAOYSA-N 509.411 4.541 0 40 KJAB O=C(Nc1ccc(Br)cc1F)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 408597686 VUVVXXYFXNSJTQ-FQEVSTJZSA-N 556.251 4.879 0 40 KJAB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408641032 JFDQPFYNNPDRPI-XMCHAPAWSA-N 517.807 4.764 0 40 KJAB C[C@H](c1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(Br)cc3)cc2C1=O 408689558 SEZGJGPQNCHHOL-OAHLLOKOSA-N 507.340 4.602 0 40 KJAB CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1C(=O)N1CCOCC1 408714753 NIAMRDHGPJVGAD-UHFFFAOYSA-N 616.570 4.789 0 40 KJAB O=C(CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(c1ccccc1)c1ccccc1)OCc1ccccc1 408738809 VPRSGZBQUQUWDH-PMERELPUSA-N 545.639 4.887 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 408826543 DSFGUSWPXOQAMC-VEOKEAFVSA-N 660.704 4.942 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408998503 UWTWRSMOPRZZHU-KCQXITDRSA-N 667.534 4.845 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C1=O)N1CCN(c2ccccc2)CC1 409018816 ZKIDKAVAKWOJJZ-HAVVHWLPSA-N 540.567 4.881 0 40 KJAB COc1cccc(N(CC(=O)NCCSCc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c1 409027569 LXANEMQWKPPRBZ-UHFFFAOYSA-N 523.051 4.733 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(I)cc3)c2=O)=N1 409046888 LGDHLISNBKUUMS-FJWZAKCXSA-N 622.912 4.845 0 40 KJAB CCOc1cc([C@@H](c2c[nH]c3ccccc23)C2C(=O)OC(C)(C)OC2=O)c(Br)cc1OC 409111406 IPQKPIBIFARCLH-FQEVSTJZSA-N 502.361 4.922 0 40 KJAB CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)n2CC)cc1 409161494 YCOVIHJVNDAKDV-HNNXBMFYSA-N 536.485 4.982 0 40 KJAB CCN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)C1=O 409171596 AOHMJRIAYMXNIE-CXUHLZMHSA-N 592.146 4.527 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4ccccc4C(=O)OC)o3)c2=O)=N1 409196128 XEUZSTJKDCRXPQ-LAUBZIAYSA-N 616.692 4.642 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1Br 409384941 GWKBAONTYYCBRH-LZYBPNLTSA-N 603.241 4.770 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCC(=O)Nc4ccccc4)c(Br)c3)C2=O)o1 409398648 FMNJUXPGZGLKIM-ODLFYWEKSA-N 633.249 4.702 0 40 KJAB Cc1ncncc1C(=O)N1CCN(Cc2ccccc2)CCCN(C(=O)C2CC2)c2cc(Cl)ccc2C1 643567611 LPWRQZCFUXUKKN-UHFFFAOYSA-N 518.061 4.730 0 40 KJAB CC(C)Oc1ccc(CN2CCOc3ccccc3Oc3ncccc3C(=O)N(C)CC2)cc1Cn1ccnc1 643569571 JYYJAUHKDWVLPN-UHFFFAOYSA-N 541.652 4.873 0 40 KJAB CC(C)CN1CCOCCOc2ccc(C(=O)N(CC(=O)O)Cc3ccccc3)cc2Cc2cccc(c2)C1 643580214 RJHWTTAVDBRBSA-UHFFFAOYSA-N 530.665 4.871 0 40 KJAB O=S(=O)(Nc1ccncn1)c1cc2c(cc1F)[C@@H](N1CC[C@H](C(F)(F)F)C[C@@H]1c1ccccn1)CCO2 1775937512 XQUOWYVEKSXNET-RYGJVYDSSA-N 537.539 4.651 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2OC)C(=O)c2cnccn2)cc1 921392 OPIMNBPAILVORP-MHZLTWQESA-N 502.615 4.717 0 40 KJAB COc1ccc(OC)c(S(=O)(=O)Oc2c(Br)cc(Br)c3cccnc23)c1 2060669 KWNKPYYPCNVUHO-UHFFFAOYSA-N 503.168 4.545 0 40 KJAB CC(C)Cn1c(SCc2ccccc2Cl)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 3220446 GNBPIVHWWIBANT-UHFFFAOYSA-N 507.081 4.568 0 40 KJAB COC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 5575072 KQGBXQVGWHWPME-KYJUHHDHSA-N 625.747 4.540 0 40 KJAB Cc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(c4cccc(C)c4C)CC3)c(=O)[nH]c2c1 6410092 VPQRNHOAKJGQJF-GDLZYMKVSA-N 537.643 4.539 0 40 KJAB CCOC(=O)c1c(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)sc2c1C[C@@H](C)CC2 8913900 PQIBBLOREVCMCB-WOIVNALZSA-N 504.608 4.613 0 40 KJAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(C(=O)NC4CCCCCC4)cc2)C(=O)[C@]31C 8918446 NICNVEYRUMQCRI-LJAQVGFWSA-N 500.599 4.869 0 40 KJAB biogenic Cc1cc(Cl)ccc1OCC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 9328035 JRBRTSLPKUQLAW-XMMPIXPASA-N 509.986 4.779 0 40 KJAB CCOc1cc(C(=O)Oc2coc(CSc3nc(C)cc(C)n3)cc2=O)cc(OCC)c1OCC 9829226 BNCIJHCVMHOLHR-UHFFFAOYSA-N 500.573 4.754 0 40 KJAB COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2Cc2ccc(F)cc2)cc1 9934291 ILXZKWJOUONHQG-QFIPXVFZSA-N 509.921 4.632 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2cccc(SC)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1 10300309 AXEMNBNGMPXPMS-UHFFFAOYSA-N 500.642 4.958 0 40 KJAB COc1ccc(C(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cc1S(=O)(=O)N1CCOCC1 12578023 ZMCGGFKWZKWJCH-UHFFFAOYSA-N 514.214 4.582 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(CCc1ccccc1C)C(=O)Cn1nnc2ccccc21 13024472 JGKYNHJZRUQIHW-GDLZYMKVSA-N 527.669 4.866 0 40 KJAB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCc2ccccc2N)cc1OCc1ccccc1 13576914 BREZOWBIGQWMFX-IMRQLAEWSA-N 507.590 4.944 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2cccc(Cl)c2)c2ccc(C)cc2)cc1 20060694 GSDOXKNVOQRKOB-UHFFFAOYSA-N 519.088 4.902 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1Cl 22248304 NENBITHUZHMGBB-UUOWRZLLSA-N 517.047 4.514 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)cc1Cl 30850526 CXDVYBXVCYKFRO-UHFFFAOYSA-N 501.004 4.913 0 40 KJAB Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N4CCC(C(=O)O)CC4)C(=O)N32)cc1 38139982 SHZFSEANVASGEO-YTMVLYRLSA-N 562.626 4.896 0 40 KJAB biogenic COc1ccc(N(CC(=O)Nc2ccc(F)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 59834932 YSKJSRIMBCLKDO-UHFFFAOYSA-N 542.507 4.704 0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)S(C)(=O)=O)cc1Cl 59883182 BKACTMKVCXEMEJ-UHFFFAOYSA-N 556.493 4.816 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c2cccc(Cl)c2)cc1 60060096 BROKBAFJXNNOBU-UHFFFAOYSA-N 600.122 4.690 0 40 KJAB CC(C)C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)NCCc1ccccc1F 70701578 SYOGVZLNQPINRT-TWLDFKIOSA-N 552.650 4.667 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OC(C)=O)c(Cl)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 100304201 LOIQBHCWRJJNOF-MFUBYVTQSA-N 589.497 4.818 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc(-c3cccs3)n2)c2ccccc2F)cc1 100329434 RCNNJHFAQPHOGT-DEOSSOPVSA-N 536.633 4.629 0 40 KJAB CCC[C@H](c1nnnn1C[C@H]1CCCO1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O 100389339 QRQQMPIOWPIFNN-JWQCQUIFSA-N 544.656 4.583 0 40 KJAB C[C@@H]1CN(c2ccc(Br)cc2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4Cl)c(=O)n3C)n2C1 101077535 CSOCDVVHHIUKQS-CYBMUJFWSA-N 549.256 4.802 0 40 KJAB O=C1N[C@H](c2ccc(-c3ccc(Br)cc3)o2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 101786967 ZLHGPYDCTXLOSU-GPMSIDNRSA-N 515.307 4.875 0 40 KJAB Cc1n[nH]c(=O)c2c(NC(=O)COC(=O)c3cc(-c4ccc(OC(F)F)cc4)nc4ccccc34)oc(C)c12 102200842 XHLZVXUCCZZFGS-UHFFFAOYSA-N 534.475 4.745 0 40 KJAB CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc3c(c1)OCCO3)C(c1ccc(Br)cc1)=N2 102244106 ZAOHHSSSNWKJPE-UHFFFAOYSA-N 543.487 4.605 0 40 KJAB CC1(C)C[C@@H]2C[C@](C)(CN2S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2)C1 102944407 BCMWLZBJAAMAFI-DFHRPNOPSA-N 571.721 4.600 0 40 KJAB CCOc1ccc(CCN/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)c3ccccc32)cc1OCC 103004128 WUMCNIUXTSBUOF-LGUFXXKBSA-N 500.595 4.848 0 40 KJAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 103116280 PNGSJBLOWAGILV-ARNBCOCVSA-N 532.600 4.832 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NCCC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 108449415 OZACPWGHHMQNTB-AHWVRZQESA-N 567.727 4.852 0 40 KJAB biogenic O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)Nc1ccc(Oc2ccccc2)cc1 111881406 ADFZNGKONZMCMN-KRWDZBQOSA-N 509.356 4.776 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 222502794 GQQRFJPOPXZFDQ-PMERELPUSA-N 573.690 4.716 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 222538504 NZGOAQNYBNDPPV-YTTGMZPUSA-N 619.784 4.753 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 222806302 JKDMAXDJJMKYAZ-NDEPHWFRSA-N 644.632 4.944 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 222843054 PBFTUHCFJNWQGB-PMERELPUSA-N 606.144 4.930 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)N(C)C)c1 222930523 ZRYCEBYQEMSUMR-IBGZPJMESA-N 571.571 4.555 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 222957136 BXJQRNVSQGZEKO-VWLOTQADSA-N 535.710 4.832 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 222957517 GTXINXMPXZGBAV-KRWDZBQOSA-N 542.529 4.654 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 223007955 FROCNBYPMJQTIB-RUZDIDTESA-N 565.736 4.841 0 40 KJAB 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Cc1c(Cl)cccc1N(CCCC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O 224640697 KBOPQOTWMSNXBF-IBGZPJMESA-N 542.529 4.790 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 224680228 CITGIGKFRNVNAI-FQEVSTJZSA-N 590.515 4.725 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 224687007 ZOISKICNUPJCIV-OAHLLOKOSA-N 612.896 4.829 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224716772 SWCUQQFBAKEUGG-JOCHJYFZSA-N 562.947 4.992 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 224721244 VDNBHWPWKYSPSJ-RUZDIDTESA-N 565.736 4.841 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](CC)C(=O)NCC(C)C)S(C)(=O)=O)cc1 224735102 GDGXXIVWGHRBHQ-SANMLTNESA-N 566.164 4.865 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 224786203 STCHZIYAUQKEQY-QHCPKHFHSA-N 556.556 4.956 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 224870281 TWZNIBQNBIYMKM-SFHVURJKSA-N 587.545 4.612 0 40 KJAB CC[C@@H](C(=O)Nc1nnc(SCc2ccccc2)s1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 224966491 VLISXZNLTPUFCX-KRWDZBQOSA-N 527.093 4.676 0 40 KJAB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-n3cnnc3)c2C)ccc1NC(=O)C(C)(C)C 225095594 SIKKDIXINUDDAS-DQEYMECFSA-N 544.685 4.573 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Br)s2)ccc1OC 225286411 WFYSGJKVCIQGQH-NHCUHLMSSA-N 533.473 4.676 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccnc3)c2C)ccc1OC 225290170 RTKMJAWNTVCESD-WUFINQPMSA-N 542.665 4.655 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225380631 QUNJHSMKTFDGRA-HSZRJFAPSA-N 572.555 4.882 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 225502905 GUAJDIIFVHSCNW-HKBQPEDESA-N 585.726 4.585 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 225616492 PBMHYXMXLZMGOK-NDEPHWFRSA-N 570.155 4.889 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 225638802 XDJHTPROXOAFHE-HHHXNRCGSA-N 556.128 4.581 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)cc1 260713704 DVVJNPDMKZVSSY-JOCHJYFZSA-N 572.127 4.794 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC)S(=O)(=O)c2ccc(SC)cc2)cc1 260762123 OHPMFKXHKPIWJP-HXUWFJFHSA-N 634.618 4.928 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC(C)(C)C)c2ccccc2)cc1 260797239 PBCSDUVWPSLKBH-HSZRJFAPSA-N 581.735 4.621 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 260873327 FQIMLLDIHJUKDI-RPWUZVMVSA-N 551.709 4.531 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 260882259 ISPYRYGIDSFPHX-HSZRJFAPSA-N 569.699 4.609 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccccc2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1 260907289 JOOUYGDNDRRHGX-SSEXGKCCSA-N 561.748 4.850 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 260979875 NXAGFIRYDASYIF-RPWUZVMVSA-N 581.735 4.540 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 261001812 FKGRKNZPRKWWGL-DHIFEGFHSA-N 592.806 4.779 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)N(C)C)c1 261028253 WNHKOFYIVBHWCK-WJOKGBTCSA-N 590.790 4.615 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 261083339 RQRVKENFJPCHRD-YADHBBJMSA-N 646.604 4.994 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2 408620161 NDFDUNXPUQNPME-UHFFFAOYSA-N 516.616 4.695 0 40 KJAB CCCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1 408668697 VHTQGHLENHNXHY-GOSISDBHSA-N 520.504 4.587 0 40 KJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1 408681020 VTQOEBHAUUQYFH-UHFFFAOYSA-N 576.140 4.938 0 40 KJAB COC(=O)c1c(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)sc2c1CCCC2 408714602 JGDHDSLGRHDIQZ-HXUWFJFHSA-N 547.054 4.662 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@H]1c1ccccc1OCC 408739541 XLTWJFCDUCEKLT-WLJFKGHSSA-N 636.362 4.731 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OCC 408739555 XPZKHBJHSOGHKT-WWWKDLBZSA-N 584.694 4.785 0 40 KJAB COc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1 408748337 CBMCEERJGLMLDV-UHFFFAOYSA-N 562.673 4.760 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C\c3ccc(OCC(=O)OCC)c(OC)c3)c2=O)=N1 408921222 AWRUYVRLOSGJGN-XNOUSZLFSA-N 644.746 4.691 0 40 KJAB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCC)c(I)c4)c(=O)n32)cc1OCC 408932171 BKFWQWZHQKFIDQ-TYBHGIAWSA-N 713.388 4.581 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 408996648 LYPPSPWCBDSFMO-QARYAGPDSA-N 637.508 4.836 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 409106420 LZTXUFDATFIYRC-LDADJPATSA-N 505.390 4.922 0 40 KJAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OCC(=O)Nc4ccc(Br)cc4Cl)cc3)C2)cc1 409128252 IUASAIAZZMOOML-GOSISDBHSA-N 586.870 4.798 0 40 KJAB CCc1cccc2c(/C=C3/C(=O)N(c4ccc(C)c(C)c4)C(=S)N3C)cn(CC(=O)NC[C@@H]3CCCO3)c12 409130129 KKJGDWGKNFSDQP-NMKJEIPESA-N 530.694 4.720 0 40 KJAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)cc3)C2)cc1 409170093 TXLPVZZKGFBNBM-OAQYLSRUSA-N 506.002 4.644 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(Br)c(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409181391 BYWURBUVEQSSEL-UHFFFAOYSA-N 579.469 4.626 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409204245 CZTPEELWMDRCLC-VUTHCHCSSA-N 614.724 4.715 0 40 KJAB CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(I)cc1C(C)C 409351007 WTIPUKWOWMZILQ-UHFFFAOYSA-N 593.491 4.695 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c(C)c2)cc1 409383792 HMYJPUIWILGJFW-UHFFFAOYSA-N 528.074 4.794 0 40 KJAB CC(=O)NC1CCN(C(=O)C[C@]2(COc3cc(C)c(Cl)c(C)c3)CN(Cc3cc(C)cc(C)c3)CCO2)CC1 585284005 DQXGPWSFJCSFNX-WJOKGBTCSA-N 556.147 4.741 0 40 KJAB Cc1ncsc1C(=O)N1CCCCOc2ccc(Cl)cc2C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)CCCC1 643558490 DXJVBZWSFBZAFQ-QHCPKHFHSA-N 549.137 4.755 0 40 KJAB Cc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(Br)cc3)c(=O)[nH]c2c1 913767 VBFQMYZJEVVBCL-UHFFFAOYSA-N 541.423 4.719 0 40 KJAB CCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2cc3cc(CC)ccc3[nH]c2=O)cc1 914055 XIGYAOQLLITMIN-UHFFFAOYSA-N 504.608 4.658 0 40 KJAB COc1ccc(NC(=O)CSc2nc3nc4c(cc3c(=O)n2-c2ccc(C)cc2)COC(C)(C)C4)cc1 1255275 UCMDSUQGOXMHLL-UHFFFAOYSA-N 516.623 4.680 0 40 KJAB O=C1C(=O)N(OCc2ccc(Br)cc2)[C@@H]2CCCC[C@H]2N1OCc1ccc(Br)cc1 1798668 FABBYUIQYBYMEC-WOJBJXKFSA-N 538.236 4.757 0 40 KJAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@@H](CSCc3ccccc3)C(=O)O)ccc12 2158408 XDWFPOZICRATHJ-VWLOTQADSA-N 517.603 4.574 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3Cl)c(=O)n2[C@@H]1c1ccccc1Cl 2163974 QHMYWUZHASAZFW-ZZODWALSSA-N 507.826 4.759 0 40 KJAB COc1cccc(-n2c(=O)c3ccccc3n3c(SCc4nc5sc6c(c5c(=O)[nH]4)CCCC6)nnc23)c1 2651300 YCSUQJBBRKZWID-UHFFFAOYSA-N 542.646 4.511 0 40 KJAB COCCn1c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)nc2cc(Cl)ccc2c1=O 2663110 AUBKZCXKVFXXRK-UHFFFAOYSA-N 504.996 4.690 0 40 KJAB CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3cccs3)C(=O)N12)C(=O)Nc1ccc2c(c1)OCO2 2967522 CVQGVVVVQRRHBJ-XUZZJYLKSA-N 589.699 4.682 0 40 KJAB COCCn1c(NC(=O)c2cccs2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 3216914 DFMQKXODCZIFPD-UHFFFAOYSA-N 506.609 4.686 0 40 KJAB Cc1cccc(N2CCN([C@H](c3cc4cccc(C)c4[nH]c3=O)c3nnnn3Cc3ccc(F)cc3)CC2)c1C 6443140 QPXBQGKTLGMSQZ-GDLZYMKVSA-N 537.643 4.539 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4ccccc4n3Cc3ccccc3)c(=O)n2[C@H]1c1ccc(OC)cc1 8401365 MYYUSJWJEQYZOL-XGLKJEJJSA-N 563.679 4.810 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 8451446 YJNYGSOTJMFOTR-MFCBUNOESA-N 623.083 4.817 0 40 KJAB CCn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1cc(Br)ccc1O 9234602 PPJWIVWENLGPFD-UHFFFAOYSA-N 512.227 4.926 0 40 KJAB Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 12532394 FCDRNGLSEDSARN-DKODJIDWSA-N 528.646 4.813 0 40 KJAB CC(C)(C)CC(=O)Nc1nc2c(s1)C[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)NC1CCCCC1 12604837 JUPKXTQCNMUIML-IOKADBLRSA-N 519.752 4.772 0 40 KJAB biogenic,in-vitro CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2cccc(OC)c2)cc1 13029774 SJJGOHPZTSVMRI-LJAQVGFWSA-N 527.625 4.672 0 40 KJAB COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2)c1OC 13029912 FIDYQQNVPQWVHR-MUUNZHRXSA-N 527.625 4.590 0 40 KJAB O=C(NC(=S)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccc2c(c1)OCCO2 14275758 OUORVJWUNFVCRW-UHFFFAOYSA-N 511.357 4.550 0 40 KJAB Cc1cc(N2CCOCC2)nc(Nc2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2)n1 17013815 YUUUDXWYFWMZKS-UHFFFAOYSA-N 501.612 4.833 0 40 KJAB CCCOc1cccc([C@H]2C(S(=O)(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)c1 19897775 WJTVCNXDEZIWHW-QFIPXVFZSA-N 507.052 4.597 0 40 KJAB CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1Cl)c1ccc(Cl)c(C(F)(F)F)c1 20237556 ZXBOKDVFDZFOKQ-UHFFFAOYSA-N 515.406 4.828 0 40 KJAB CCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3ccc(C)cc3C)nc3ccccc3c2=O)cc1 33058571 KDMMOMLUICBWQT-UHFFFAOYSA-N 514.651 4.932 0 40 KJAB COc1ccc(-c2nc3c(c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)n2)Cc2cccc(OC)c2O3)cc1 33357588 AFNLUYPEGFHUNE-UHFFFAOYSA-N 538.604 4.908 0 40 KJAB CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N(CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O 33937368 KRQAUNHBGFAYLJ-FTJBHMTQSA-N 500.647 4.588 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c2ccccc2OC)cc1 59651715 WMIYFHWXTYLHFJ-UHFFFAOYSA-N 551.665 4.600 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCCC4)cc3)cc2)cc1Cl 59924672 NIRUMSKGJHRWTB-UHFFFAOYSA-N 548.086 4.627 0 40 KJAB Cc1ccc(CN(c2ccc(OCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2)S(C)(=O)=O)cc1 59928337 SQFCZFLJCDWWTR-UHFFFAOYSA-N 542.101 4.651 0 40 KJAB NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2c1CCN(Cc1ccccc1)C2 97963485 WGDBITBNDKECOI-UHFFFAOYSA-N 586.739 4.799 0 40 KJAB COc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3N)[nH]n2)cc1 97990121 YBLNZHSHSUUXDE-UHFFFAOYSA-N 557.480 4.826 0 40 KJAB COc1ccc([C@H](N)CC(=O)N2CCN(c3nc(-c4ccccc4)c4cc(Br)ccc4n3)CC2)cc1OC 98009750 BTLMFGDNUIVBJZ-HSZRJFAPSA-N 576.495 4.815 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4Br)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 100068161 GOQIYTVQKVSCTG-DJTCXORXSA-N 607.482 4.858 0 40 KJAB Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2)S(C)(=O)=O)c1 100094884 LEVKMKDFOYCDBB-UHFFFAOYSA-N 555.722 4.778 0 40 KJAB COc1cccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2cc(C)on2)c2cccc(F)c2)c1OC 100416578 LFZFVMDVVZWWIY-VWLOTQADSA-N 540.592 4.547 0 40 KJAB O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O)N1CCN(c2ccccc2)CC1 101385702 VGQLXTSCJCAJLM-RUZDIDTESA-N 544.080 4.971 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 102618879 OFKRBVCACVJFMX-RQLGBQGVSA-N 525.413 4.975 0 40 KJAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 102939930 QLPANLVLYACZST-UHFFFAOYSA-N 523.998 4.534 0 40 KJAB COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)c3ccccc3)c2)cc1S(=O)(=O)N1CCCCC1 103027226 XHFUPJZRQMLHSE-UHFFFAOYSA-N 578.112 4.601 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3Cl)S(C)(=O)=O)cc2)cc1C 105984153 BBUDVNNTKNWBAJ-UHFFFAOYSA-N 556.493 4.816 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 222695724 JYDRESUWAXSRDE-LJQANCHMSA-N 578.518 4.669 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 222704476 YAZSURNBDGGEDW-HHHXNRCGSA-N 596.149 4.677 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 222854073 IAILLVIVBHLYDH-MHZLTWQESA-N 636.559 4.906 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 222879357 NXBDLAFKITTWPT-OAHLLOKOSA-N 566.017 4.596 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 222944906 AOAZDYBVZRQPGO-FQEVSTJZSA-N 546.064 4.536 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 223118190 ISWSVQUEFMLBOR-OAQYLSRUSA-N 521.683 4.503 0 40 KJAB COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NCc2ccccn2)cc1OC 223177946 WRGYXCMLBQMJHQ-MUUNZHRXSA-N 541.623 4.737 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223210317 WMXXLSUUWIRQAT-FCHUYYIVSA-N 616.578 4.985 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223292243 KVPUELIBTWICDB-NRFANRHFSA-N 542.529 4.790 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 223309734 ZUNXNGHDRYNUQA-RUZDIDTESA-N 596.508 4.890 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 223428353 AIJVXDKBFVIDQG-JOCHJYFZSA-N 572.127 4.878 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 223510961 HNOKBFDFLNQLNU-JOCHJYFZSA-N 542.529 4.790 0 40 KJAB COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)cc1 223569135 VLWBPBVKBPUGCH-IXCJQBJRSA-N 507.030 4.956 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 223571833 XSVQEDWDFRWISU-QHCPKHFHSA-N 585.598 4.945 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 223791052 PGXGLRCPQBAPEB-OAQYLSRUSA-N 560.091 4.926 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 223799486 PMPHGGFBTQTUTE-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 223810811 JEUYBKGXRFLPCL-WXVAWEFUSA-N 658.615 4.889 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223839297 BXCSWHYXMSLUMS-LJQANCHMSA-N 578.518 4.751 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 223981037 KFLXFNSORAUTJL-SKCUWOTOSA-N 630.605 4.779 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 224007085 KMWCWXCTJSLPDL-GDLZYMKVSA-N 581.735 4.977 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 224013002 PYZDNRDNTJOVHG-GDLZYMKVSA-N 549.737 4.742 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 224212855 PJJLXRMWNAQVCG-HHHXNRCGSA-N 527.731 4.751 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 224519323 JZSZPUZHBAHIEY-XMMPIXPASA-N 554.540 4.789 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224829009 XLMMHGWPIUPODW-LJAQVGFWSA-N 549.737 4.543 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 224978428 JVDNOTRFDJQTFI-LOSJGSFVSA-N 535.710 4.831 0 40 KJAB COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)cc1 224982253 JIWURUVKUCMPNT-VWLOTQADSA-N 577.747 4.799 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 225150479 LADCSGDAVSRYCJ-GDLZYMKVSA-N 565.736 4.674 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225198951 MBMKPTAARWXMAH-NRFANRHFSA-N 636.609 4.633 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 225214421 ZBKABFGWWSROIG-XZOQPEGZSA-N 539.673 4.661 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 225236121 HTGQUPNPBQJFPX-QFIPXVFZSA-N 646.604 4.995 0 40 KJAB Cc1ccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1 225306934 RBVPWVWOVPHWOA-GDLZYMKVSA-N 587.742 4.619 0 40 KJAB 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CCOc1ccc(N(CC(=O)NCCOc2ccc(C)cc2C)S(=O)(=O)c2ccc(SC)cc2)cc1 223728331 AICHPKCFVQJNFA-UHFFFAOYSA-N 528.696 4.815 0 40 KJAB COc1ccccc1N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)S(=O)(=O)c1ccc(C)cc1 223802130 YZTAZROTJXSHEO-UHFFFAOYSA-N 501.608 4.823 0 40 KJAB Cc1[nH]c(C)c([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1I 223885561 AJYVGZJLZPJVTC-SFTDATJTSA-N 517.440 4.874 0 40 KJAB COC(=O)c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 223956840 SZVWURJTTQLXGK-WUFINQPMSA-N 539.661 4.673 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 224357819 POXVKLPNAJNEMM-VWLOTQADSA-N 534.122 4.752 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 224384567 GTEYIPRFJAEVQX-LJAQVGFWSA-N 581.710 4.896 0 40 KJAB COc1cccc(CN(C(=O)COc2ccc(Br)cc2Cl)[C@@H](C)C(=O)NCC(C)C)c1 224444595 URLJGTIWFNEYFS-INIZCTEOSA-N 511.844 4.679 0 40 KJAB CCc1ccc(OCCNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3cc(C(C)(C)C)ccc3O2)cc1 224499683 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4.619 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 225243478 BCIQZBHUASQLKO-VWLOTQADSA-N 536.138 4.837 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 225425415 RXSGYLQMCSDBJX-MUUNZHRXSA-N 570.155 4.825 0 40 KJAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)ccc1NS(C)(=O)=O 225445139 GXKFALPVEJRLCT-OALUTQOASA-N 523.503 4.763 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 225459441 YRRTWJRVPXNFMC-QFIPXVFZSA-N 572.127 4.794 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 225474067 PZVAUSNSYQCJJB-SFHVURJKSA-N 612.468 4.827 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 225544001 SFXIBPLMFCXJEC-QFIPXVFZSA-N 632.179 4.893 0 40 KJAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 225744289 XEJCAQXKITXUPT-GDLZYMKVSA-N 567.727 4.784 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1 225791302 OCXDIVUMFWZRJH-UHFFFAOYSA-N 608.163 4.749 0 40 KJAB CC1(C)O[C@@](C)([C@@H]2CC[C@](C)([C@@H]3CC4(CCN(S(=O)(=O)c5ccc(Br)cc5)CC4)CO3)O2)CC[C@@H]1O 257334015 YEDKVCYHQJYSHC-AZQMGYJQSA-N 586.589 4.655 0 40 KJAB COc1ccc(CN(C(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1 260754910 BZJUFDUZGMWYPA-OAQYLSRUSA-N 564.148 4.679 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 260868653 DNRCMWISWKYWRN-JOCHJYFZSA-N 602.153 4.742 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 261059270 NNFCKDUGTOXNJJ-LXFBAYGMSA-N 661.606 4.920 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccc(Cl)cc2)c2ccc(F)cc2)cc1 408545423 LLFDWPDVDTUZKG-UHFFFAOYSA-N 523.051 4.733 0 40 KJAB Cc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NC2CCCCC2)cc1C 408577088 IEGOOFWOFYZJIH-UHFFFAOYSA-N 511.420 4.792 0 40 KJAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 408626781 WYSDMLZPDNIXSD-UHFFFAOYSA-N 518.975 4.505 0 40 KJAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)N1CCC(Cc2ccccc2)CC1 408636213 ZAPVEZJGYPKHON-UHFFFAOYSA-N 518.679 4.997 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)n2CC)sc2c1CCCC2 408637237 HYKGMWYBQDZPSP-UHFFFAOYSA-N 527.672 4.771 0 40 KJAB C[C@H](C(=O)OCC(=O)Nc1cccc2ccccc12)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408686450 SNGZRJMVAGPZJJ-DYLUUEMWSA-N 530.580 4.602 0 40 KJAB CS(=O)(=O)N(CCCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccc(Cl)c1 408694881 NNEFGPKQWPALNF-UHFFFAOYSA-N 526.102 4.820 0 40 KJAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 408700795 LZJCGNKCQUJNKK-UHFFFAOYSA-N 547.721 4.663 0 40 KJAB CCOc1ccc(N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 408710987 GQOLXSZKMOWEAO-UHFFFAOYSA-N 572.127 4.908 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)cc1 408823946 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CCOc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)ccc1OCC(=O)Nc1cccc(C)c1 409272326 PQFCBQGQHHSEHY-UHFFFAOYSA-N 503.668 4.905 0 40 KJAB COC(=O)c1ccccc1NC(=O)CSc1nnc([C@H](CC(C)C)NC(=O)c2ccccc2Cl)n1C 409365864 PGWAMOQYJTVUDU-FQEVSTJZSA-N 530.050 4.503 0 40 KJAB CCCCN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(CCC)N=3)c2ccccc21 409389574 QMQOMUVFQMJEOD-DHJMZRGKSA-N 638.584 4.867 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)c1 409410725 OXINIMSXWRVODS-UHFFFAOYSA-N 567.645 4.558 0 40 KJAB COc1ccccc1CC(=O)N1CCCC[C@@H]2CN(c3ncc(C(=O)O)c(CCc4ccccc4Cl)n3)C[C@@H]21 585266050 AQBIDNPNKOQFMH-GJZUVCINSA-N 549.071 4.682 0 40 KJAB COc1cc(CN2CCC(O)(COc3cccc(Cl)c3)CC2)ccc1OCCCn1ccnc1C 585270482 DSSWFHWVVVRDOO-UHFFFAOYSA-N 500.039 4.729 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CCO2)C1=O 643557190 QXBOLZBPENSLHC-HKBQPEDESA-N 548.659 4.861 0 40 KJAB COc1ccc2[nH]c(=O)c(CN(C(=S)NCCc3ccc(OC)c(OC)c3)C3CCCCC3)cc2c1 879977 WEUSCADJEZLACV-UHFFFAOYSA-N 509.672 4.806 0 40 KJAB COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c3N2)c1 884113 JJFWIWGNPHLKMF-YADHBBJMSA-N 503.500 4.654 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Br)c1OC 1008236 WTYNZDDFFPADRM-WOJGMQOQSA-N 505.390 4.840 0 40 KJAB CCOC(=O)CN(C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1)c1ccccc1 2074038 DMHLMWMIESQSDW-UHFFFAOYSA-N 500.624 4.855 0 40 KJAB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)o1 2625423 BSTBTNVZKNXZBG-WTYVIMSDSA-N 551.603 4.822 0 40 KJAB O=C(c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1)N1CCN(c2ccccc2F)CC1 3215362 YTBKBDJJASQTHX-UHFFFAOYSA-N 508.402 4.896 0 40 KJAB Cc1c(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C(C)(C)C)cc3)c2)c(=O)n(-c2ccccc2)n1C 3215381 HIKPXJXORHKRJT-UHFFFAOYSA-N 518.639 4.835 0 40 KJAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 3216416 XLUQTJSIPSCKOF-UHFFFAOYSA-N 521.908 4.993 0 40 KJAB O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3C2)c1)Nc1ncc(Cl)cc1Cl 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CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)N4CCN(c5ccccc5)CC4)n12)CCCC3 12500056 ANJMVXFAFCGNRV-UHFFFAOYSA-N 506.701 4.782 0 40 KJAB O=C(CSc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1)NC[C@H]1CCCO1 12533274 ILIMORCCORANOK-GOSISDBHSA-N 511.698 4.616 0 40 KJAB COc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 12709711 JYKBCVVLLXTMEC-UHFFFAOYSA-N 517.538 4.517 0 40 KJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 15989437 ABVCTJBTGVEOCP-KEZOAJOQSA-N 503.480 4.860 0 40 KJAB CCCCNS(=O)(=O)c1cccc2c(NC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)cccc12 16638916 GFGCDLLUSNDDIF-VWLOTQADSA-N 511.644 4.808 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c1 22866539 MZCDFWGCMKBEGP-RYCFQHDISA-N 589.744 4.753 0 40 KJAB COc1ccc(-c2c(-c3ccccc3)c(C(=O)C(=O)NCCO)n3ccc4cc(OC)c(OC)cc4c23)cc1OC 70707222 PGSMPWHUENOIMV-UHFFFAOYSA-N 554.599 4.752 0 40 KJAB biogenic 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223843516 AVCWGQIBIGXKFV-SFHVURJKSA-N 540.513 4.544 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223893937 BWKACCIEXPOODN-ZDUSSCGKSA-N 555.311 4.620 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 224232681 NPOLESRYGUMURZ-SANMLTNESA-N 527.731 4.751 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 224257747 CKPQHRLHOAKQTH-MRXNPFEDSA-N 582.472 4.968 0 40 KJAB CCCSc1nnc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)s1 224296895 NTHRYKUUHKIZDX-ZDUSSCGKSA-N 509.506 4.528 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 224561866 SVUIPMUMMBDJRN-MHZLTWQESA-N 557.757 4.724 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 224587381 YOCBWXWMDGJPOT-SSEXGKCCSA-N 579.763 4.751 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 224682251 QCXDAXBSNXZQFX-QFIPXVFZSA-N 562.947 4.992 0 40 KJAB 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Cn1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1cc(Br)ccc1O 408543216 NRMMTJAGEUGQQD-UHFFFAOYSA-N 503.300 4.580 0 40 KJAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3Sc3ccccc3)C2)c1 408561471 SWBASYFIMHSFNG-IBGZPJMESA-N 512.653 4.894 0 40 KJAB CCc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 408582613 XIKFUPVSNZIOKG-UHFFFAOYSA-N 549.027 4.556 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2cc(C)cc(C)c2)cc1OC 408621337 RLHYJGWVIJYBPU-UHFFFAOYSA-N 591.652 4.884 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c2ccc(C)cc2C)cc1 408622240 VFRINVHEHHZYOY-JXMROGBWSA-N 517.695 4.665 0 40 KJAB CC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C[C@@H]5c5ccccc5)[C@H]4C3=O)c2)cc1 408689634 SJRZVXSMOSQYHA-LIDOQRMKSA-N 536.584 4.614 0 40 KJAB CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(I)c1OC 408787376 YYUMLRKKGXIPGJ-SARUNTBLSA-N 510.397 4.861 0 40 KJAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1I 408932303 BZMOXPPZODEWGU-YVLHZVERSA-N 526.327 4.504 0 40 KJAB Cc1ccc(-n2cccc2/C=C2\NC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc1Cl 409012837 LJZUDVZNALPHCU-NDENLUEZSA-N 513.779 4.733 0 40 KJAB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCCOC)=C(C)N=3)ccc1OCC(=O)Nc1ccccc1 409015875 PEWWTSZGIOOMPH-DWLKXISJSA-N 685.799 4.628 0 40 KJAB CC(=O)c1cccc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)c1 409022991 BMPRIALWUBERKN-UHFFFAOYSA-N 501.402 4.794 0 40 KJAB CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1 409059804 XMRMYJXCFKAZFX-UHFFFAOYSA-N 506.657 4.699 0 40 KJAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1 409183100 PTZKLEHVGRHZOC-JLPGSUDCSA-N 552.630 4.700 0 40 KJAB Cc1cccc(COc2ccc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4F)C3=O)cc2I)c1 409209193 GJYFJLAHLIASAC-LPYMAVHISA-N 585.373 4.849 0 40 KJAB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCC(C)CC4)o3)c(=O)n21 409274507 DTUMEWXVDXSYOM-IBYCJETLSA-N 614.562 4.787 0 40 KJAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@H](C)NC(=O)c1ccccc1Cl 409357405 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Cc1cccc(CN(C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 223795565 XQQVIXKODCBWFZ-VWLOTQADSA-N 547.721 4.975 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 223808520 CQXBVGRKHPZOEX-DEOSSOPVSA-N 558.091 4.888 0 40 KJAB Cc1ccc(OCCNC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)c(C)c1 223880384 UXLNNWADZWXPCT-UHFFFAOYSA-N 510.700 4.732 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 223970092 CYOJYVHCSBZSEU-QHCPKHFHSA-N 551.709 4.567 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 224215940 VPEWUBBWBJFFLY-AREMUKBSSA-N 606.572 4.934 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl 224238489 NIYSFHVWSFXWBN-MHZLTWQESA-N 600.181 4.978 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 224368239 XOFBVZCNSWNVSO-AREMUKBSSA-N 574.118 4.800 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 224403172 NPTHDGLUYTVGBR-INIZCTEOSA-N 640.371 4.554 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 224435246 DXTXDQVWYLOBNA-SANMLTNESA-N 604.542 4.521 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)cc1 224492767 MNFKMAMOZLNPPN-SANMLTNESA-N 579.763 4.739 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 224561185 JEJZGJKNGVXXCZ-SANMLTNESA-N 572.127 4.796 0 40 KJAB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3cccc(CN4CCCCC4)c3)c2)CC1 224669714 BGVHPGDLXJNDTO-UHFFFAOYSA-N 504.096 4.677 0 40 KJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224711111 UMSZBAFPNGIBKG-HXUWFJFHSA-N 590.515 4.725 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 224799509 JJTKQEMHDYNCJV-LJQANCHMSA-N 542.529 4.792 0 40 KJAB 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4.887 0 40 KJAB COc1cc(CN(Cc2ccccc2)C(=O)COc2c(Br)cccc2C(=O)O)cc(OC)c1OC 257272382 NCFAJTCXDCRYBL-UHFFFAOYSA-N 544.398 4.781 0 40 KJAB Cc1cc(OCC(=O)O)c([C@H]2C[C@](C)(NC(=O)CCO)C[C@@H](c3ccc(Cl)cc3)O2)cc1Br 257326196 WWFILISRSWNWNO-YZUZCNPQSA-N 540.838 4.724 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c(C)c1 260787097 LZOLZMQOKBNETO-GOSISDBHSA-N 542.529 4.708 0 40 KJAB CCC1(CC)C[C@H](NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c2ccccc2O1 260808145 GBACMNAYZPUSMD-GBXCKJPGSA-N 500.661 4.710 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 260887058 QCXNSBQLLXESLT-OAQYLSRUSA-N 560.091 4.925 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c(C)c1 260948037 UGMHHJVSMXNPRD-OAQYLSRUSA-N 578.573 4.698 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 260995733 QTJARNHXZOZTEU-OFVILXPXSA-N 536.138 4.917 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c2ccccc2)cc1 261114884 YHSUSMWZRCQGJE-DHIUTWEWSA-N 553.700 4.915 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C2CCCCC2)cc1 408620947 NAMSNPSUCMDQTB-UHFFFAOYSA-N 523.621 4.686 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(OC(C)C)cc2)c2cc(Cl)ccc2OC)cc1OC 408630853 XBUDKSZGQBJAEC-UHFFFAOYSA-N 549.045 4.987 0 40 KJAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)ccc1N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408642711 PPQZLXYKRNQFFJ-WFZQVPDDSA-N 527.404 4.796 0 40 KJAB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)c1)Nc1ccc(F)cc1 408684066 JJOKHVXQXLOPIK-KAVKEEAGSA-N 512.537 4.550 0 40 KJAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)c2)cc1 408687890 VSOGOZIISHASOH-LYBMHKGZSA-N 585.616 4.837 0 40 KJAB Cc1nnc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccc(Oc5ccc(Br)cc5)cc4)cc3C2=O)s1 408691027 XUBCBBXXLXKHMU-UHFFFAOYSA-N 593.415 4.997 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 408694258 HRFYQBFGRAPLDA-UHFFFAOYSA-N 566.101 4.643 0 40 KJAB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(Br)cc(OC)c5O)c(=O)n42)c2ccccc2CC3)cc1OC 408756628 ISDKJGXJAYVGBE-IYVASWNSSA-N 605.510 4.813 0 40 KJAB Cc1cccc(COc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2I)c1 408903598 UCDRTSBERSUCBQ-XKZIYDEJSA-N 524.383 4.949 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 408920183 AKEYOTMJOKGSRJ-UHFFFAOYSA-N 616.117 4.992 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCC(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 409017140 WZMFKMBSUMVCJU-PSAPEEBNSA-N 598.721 4.988 0 40 KJAB CC(C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1Br 409017402 WJHZWLJTAQRRMO-PXLXIMEGSA-N 544.471 4.621 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cc4c(cc3Cl)OCO4)c2=O)=N1 409037749 YXQSJVITNSQMNM-OINADKTASA-N 575.470 4.623 0 40 KJAB CCOc1c(Br)cc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)OC)=C(CC)N=2 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4.933 0 40 KJAB COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)COc2ccc(C(C)C)cc2)c1 9907900 PISNWDIANABAQI-UHFFFAOYSA-N 515.610 4.577 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccc(OC)cc2)cc1 9934127 PHFRPXRJCHDMMT-RUZDIDTESA-N 515.566 4.547 0 40 KJAB COc1ccccc1CN(Cc1ccco1)c1cnc(S(C)(=O)=O)nc1C(=O)Nc1ccc(C)c(C)c1 11916424 ONSGJHNZUVWPPP-UHFFFAOYSA-N 520.611 4.558 0 40 KJAB Cc1c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)sc2nc(Cc3ccccc3)[nH]c(=O)c12 12693042 SGXXYWBBMKFQFF-UHFFFAOYSA-N 512.557 4.865 0 40 KJAB COc1ccc(NC(=O)Cc2sc(C)nc2-c2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 13005987 VUFDPFKYOKNGKD-UHFFFAOYSA-N 503.621 4.622 0 40 KJAB COc1ccc(N(CCCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)S(C)(=O)=O)cc1Cl 13681926 DIZHFHHAECXCSU-UHFFFAOYSA-N 522.067 4.550 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 22836638 WTAIGCVLFXPDBW-QEYQTOMISA-N 512.631 4.960 0 40 KJAB CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 59211791 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COC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1NC(=O)[C@H](C)NC(=O)OCc1ccccc1 102899918 HZJPNHBSXHUMGE-BVZFJXPGSA-N 554.441 4.555 0 40 KJAB CCOC(=O)C1=C(COC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)NC(=O)N[C@H]1c1ccccc1 103094525 ICGCWURBMCRKFP-MHZLTWQESA-N 540.551 4.707 0 40 KJAB O=C(NCc1ccc2c(c1)OCO2)/C(=C/c1ccc(SC(=S)N2CCCCC2)o1)NC(=O)c1ccccc1 113628235 RDNKZVLQDXDWHI-JWGURIENSA-N 549.674 4.959 0 40 KJAB Cc1cn([C@@H]2C[C@H](OC(=O)[C@@H](Cc3ccccc3)NC(=O)OCc3ccccc3)[C@H](COC(=O)[C@@H](Cc3ccccc3)NC(=O)OCc3ccccc3)O2)c(=O)[nH]c1=O 150371018 IBIMLNZMSGAPFL-DSVGPAFQSA-N 804.853 4.663 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)Cc4c(Cl)cccc4Cl)C3)cc2)c1 150422092 MSTWHZKJZPAXFL-SFHVURJKSA-N 642.583 4.992 0 40 KJAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)C1=O 205745842 WJSQLECVFMKQKD-YBFXNURJSA-N 567.401 4.787 0 40 KJAB CC(=O)c1cccc(NC(=O)[C@@H](SC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc2)c1 215742072 POBXJUUDKFJCLN-GSPPDTAYSA-N 517.676 4.868 0 40 KJAB 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COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)cc1 223230963 WMLMKYQUNMFCBW-ZFEZZJPFSA-N 675.779 4.949 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223713498 GJVUZHUTJKNJDL-AREMUKBSSA-N 529.747 4.614 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(OC)cc1 223733962 OARMILATRQYQDY-HHHXNRCGSA-N 506.668 4.713 0 40 KJAB CC(C)c1ccccc1OCCNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 223779329 MFOQGJFKJBPNMH-SFHVURJKSA-N 513.487 4.854 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 223867038 MNJIFVQFPIEXCK-FQEVSTJZSA-N 576.090 4.627 0 40 KJAB CC(C)c1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 224133173 LPRHUHNKCRRPJT-IBGZPJMESA-N 566.562 4.671 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224291171 SHGXZEJIIDSGEG-VWLOTQADSA-N 606.116 4.635 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 224441827 RSDTYIAXCLDFPN-SANMLTNESA-N 644.588 4.500 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224548965 TUEJWKZETBOVSD-LJAQVGFWSA-N 623.772 4.774 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224584797 JIAWBMHWCVQHJC-QHCPKHFHSA-N 570.539 4.634 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224722842 XATPLWANRPOBBF-FQEVSTJZSA-N 590.515 4.725 0 40 KJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 225044837 LNASLTUSZRATBP-QHCPKHFHSA-N 556.128 4.830 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225048353 WWWCELVFKUTJJO-VWLOTQADSA-N 564.148 4.679 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 225111233 NECVMJZDPWSMAA-LJAQVGFWSA-N 642.616 4.923 0 40 KJAB Cc1cccc(C)c1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 225135691 AMLHPPCJWNADIG-NRFANRHFSA-N 534.122 4.589 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225224253 DJYNYWOTFALNFQ-NRFANRHFSA-N 636.609 4.633 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCC2(c3ccccc3)CCOCC2)c2cc(C)cc(C)c2)cc1 225469965 YMDMONFXLQUERR-UHFFFAOYSA-N 506.668 4.672 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 225629325 RNPBAGZQTWREME-IBGZPJMESA-N 572.555 4.880 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 225644155 MGLMYYIEPMASIY-MUUNZHRXSA-N 616.180 4.680 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 225740032 XWGUWMIEYWTAML-FDDCHVKYSA-N 600.565 4.643 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 225754728 JZJZITVSXSQYDF-PWUYWRBVSA-N 565.736 4.921 0 40 KJAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)c1 225795801 RFDYRBFVURPDIG-HNNXBMFYSA-N 519.044 4.821 0 40 KJAB Cc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 260751290 QBZKXMYCMYQYGU-HSZRJFAPSA-N 556.128 4.828 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 260765618 FLOUITMORQGDKT-XMMPIXPASA-N 527.731 4.716 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c2ccc(C)cc2)cc1 260782456 KYRKBMBQCLSVMX-RUZDIDTESA-N 579.763 4.964 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC 260790217 NHQQGFUWEWWJTA-RUZDIDTESA-N 607.773 4.992 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)Oc3ccccc32)cc1 260805393 CEUKZHQNARYUFC-OAQYLSRUSA-N 527.027 4.762 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 260899400 OAFRPHLVQDNTDE-HOTGVXAUSA-N 548.920 4.745 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)N[C@H](C)CC)c2ccc(F)cc2)cc1 260920262 GOJQJXFMKJVCQM-DNQXCXABSA-N 583.726 4.794 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 260967152 LVIOFBGLISVMMR-OALUTQOASA-N 572.555 4.880 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 261014994 UDHNKADCWGBDQF-HHHXNRCGSA-N 630.605 4.779 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 261064741 OJSVZGYREIPILZ-IDISGSTGSA-N 618.569 4.909 0 40 KJAB C[C@@H](CCc1ccccc1)NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 408611111 QKENWNYYWUQCBN-FQEVSTJZSA-N 515.473 4.778 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(Cl)cc1 408641976 LRCROYUNKODNLM-JYKFVMEGSA-N 529.807 4.940 0 40 KJAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)CC1 408694475 IFUCYNGFKPAQEJ-UHFFFAOYSA-N 562.113 4.630 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2c(C)cc(I)cc2C)cc1 408736372 BFENLDLCLQXAEB-QFIPXVFZSA-N 548.446 4.745 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)cc1 408759064 XFCMVZAHQSYGSX-FBRKSOCZSA-N 633.520 4.632 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OC(C)C)c(=O)n2[C@H]1c1ccccc1Cl 408823699 FWXDKOJTKQONOX-VZIOXZNFSA-N 531.461 4.892 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc(F)c4)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 408826914 LHCOKXRKLQCOGU-RGFRMHDHSA-N 542.632 4.825 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)c2=O)=N1 408840360 FHPZBRFEDXRODY-ORVZPOCUSA-N 621.067 4.919 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)[nH]c4ccccc34)c(=O)n2[C@H]1c1cccc(OC)c1 408996109 KYGOTZNUQBRJHK-JQTKYWOZSA-N 549.652 4.734 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(OCC(C)C)cc3)c2=O)=N1 409016025 ASLUIQUTEAIXRH-PRLWALMFSA-N 564.704 4.631 0 40 KJAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 409071043 OCPVRUMHZZSPEN-VNILXRMASA-O 518.218 4.772 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc(Cl)c1O 409168591 MPNVROJDQBAVNU-SXGWCWSVSA-N 511.781 4.882 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 409175328 XGGSHHWTZRDJQW-UHFFFAOYSA-N 517.003 4.668 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2ccc(I)cc2)C1=O)Nc1ccc(Br)cc1 409184283 VVOUHHCLZQXUQR-DHDCSXOGSA-N 543.180 4.729 0 40 KJAB O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 409253464 GHTTWDGFOXMIBF-UHFFFAOYSA-N 555.656 4.807 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)S(=O)(=O)c1ccccc1 409259189 XCMFMBOVPGSHSP-UHFFFAOYSA-N 592.139 4.747 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCC(=O)Nc1ccccc1C 409272179 MDMNJPQLSAUJGD-YUMHPJSZSA-N 571.655 4.642 0 40 KJAB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2ccc(Br)cc2C)n1C 409361326 RWHXZPKQZUIUND-UHFFFAOYSA-N 505.438 4.903 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(I)c3)C2=O)o1 409398698 FXZBZYQBDZTOEP-ODLFYWEKSA-N 592.773 4.996 0 40 KJAB CCCc1nc(NC2CCN(Cc3ccc(OCCN4CCN(C)CC4)cc3)CC2)c2c(C)c(C)sc2n1 585295309 UKVLIGMPZQDBMJ-UHFFFAOYSA-N 536.790 4.963 0 40 KJAB CCc1ccc(N(C(=O)Cn2nnc(-c3ccccc3)n2)[C@H](C(=O)NC2CCCCC2)c2ccccn2)cc1 905794 YOTOKJIRPMTPGX-NDEPHWFRSA-N 523.641 4.521 0 40 KJAB CCCCSc1nnc2c(n1)O[C@@H](c1ccc(OC(C)=O)cc1OC(C)=O)N(C(C)=O)c1ccccc1-2 2094177 YKPTZAUYFKVQKA-VWLOTQADSA-N 522.583 4.726 0 40 KJAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCN(Cc5ccccc5)CC4)CC(=O)N32)cc1OC 2156536 PNKMNRNCPUVNSN-QPQHGXMVSA-N 564.686 4.535 0 40 KJAB biogenic COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1NC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O 2232438 OFBDAEXWWQGOFC-UHFFFAOYSA-N 543.583 4.625 0 40 KJAB aggregator CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccccc1 2289638 QDYFWUKFRXUSFN-YPKVGQCMSA-N 501.007 4.589 0 40 KJAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3270555 HSSYEPLGVNGYQI-GFCCVEGCSA-N 505.807 4.615 0 40 KJAB COc1cccc(-n2c(SCCOc3cccc(C)c3)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1 3350661 AYIMSDLSARSLIK-UHFFFAOYSA-N 524.668 4.673 0 40 KJAB Nc1ncnc2c1ncn2C[C@@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 4823662 YFRDMDSPYBSJRB-ZPFLWGEISA-N 537.620 4.521 0 40 KJAB Cc1ccc([C@H](c2nnnn2CS(=O)(=O)c2ccc(C)cc2)N(Cc2cccnc2)Cc2ccco2)cc1 6172570 XPNIZZDXZZUBEA-HHHXNRCGSA-N 528.638 4.501 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3nc(-c4ccc(OC)cc4)cs3)o2)cc1 6512061 ZFSFAXFLEVMTGU-UHFFFAOYSA-N 559.695 4.630 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(OC)cc3)n2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1 6973570 DFLJYZIOFOFIJD-MUUNZHRXSA-N 574.707 4.638 0 40 KJAB CCS(=O)(=O)c1ncc(N(Cc2ccccc2)Cc2ccco2)c(C(=O)Nc2cc(C)ccc2C)n1 9250653 IIADWYHWLJUNDG-UHFFFAOYSA-N 504.612 4.939 0 40 KJAB CC(C)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1 12481876 PLFZMXQVHMLAKX-IRPSRAIASA-N 529.616 4.764 0 40 KJAB COc1ccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1S(=O)(=O)N1CCCC[C@@H]1C 12640908 VMJWMCJLPZXPHD-AWEZNQCLSA-N 507.584 4.912 0 40 KJAB Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccc(F)cc2)cc1 12712905 WLKVVKWIJDXOMO-NDEPHWFRSA-N 501.606 4.811 0 40 KJAB CCOC(=O)N1CCN(Cn2nc(-c3cccc(Br)c3)n(-c3ccccc3)c2=S)CC1 19418824 JXJMVKFDRODCNP-UHFFFAOYSA-N 502.438 4.564 0 40 KJAB CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)N(Cc1cccs1)C[C@@H]1CCCO1 19973032 BEQRGPOLDDNPNZ-GBXCKJPGSA-N 506.676 4.800 0 40 KJAB O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 30851832 JQISJGPKSKHQLJ-UHFFFAOYSA-N 520.998 4.718 0 40 KJAB COCCNC(=O)c1ccc2c(=O)n(Cc3ccccc3)c(SCc3ccc(F)cc3Cl)nc2c1 33074122 AYHXUUPKHOWXGO-UHFFFAOYSA-N 512.006 4.906 0 40 KJAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)NCCc1cccc(F)c1 70706533 SDBMNTPOKUOQLK-RKIXSCSISA-N 552.650 4.667 0 40 KJAB biogenic COc1ccc(/C=C2/N=C(SCC(=O)NCc3ccc4c(c3)OCO4)N(c3cc(C)cc(C)c3)C2=O)cc1 97979503 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COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1Cl 222634388 FDBOAUZOFLBUKR-NRFANRHFSA-N 572.127 4.876 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 222929621 KZRLWOPQMFEEFE-XMMPIXPASA-N 536.138 4.569 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223022392 VNTJNWYUNXFAHW-DEOSSOPVSA-N 581.735 4.541 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 223118799 CBSSQXCCCFZBFI-RUZDIDTESA-N 546.064 4.536 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223242351 WIVZOSVPGVDDCT-SANMLTNESA-N 575.653 4.556 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 223429418 SSCBTZAXAIPYHU-DEOSSOPVSA-N 581.735 4.623 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 223478921 JTWXTNJGPVSVGN-VWLOTQADSA-N 565.736 4.841 0 40 KJAB 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Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1nccs1 225523750 UKJLHOLAKPCYMW-DNQXCXABSA-N 502.669 4.947 0 40 KJAB Fc1ccc(C2(CNC(=S)Nc3nc(N4CCN(c5ccccc5)CC4)cc(C(F)(F)F)n3)CCOCC2)cc1 226002168 YEKKHCNRJSBDNY-UHFFFAOYSA-N 574.648 4.996 0 40 KJAB CCc1cc(Br)cc(CC)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 226050027 ARXLTDUXPIUCJQ-KRWDZBQOSA-N 527.456 4.761 0 40 KJAB CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@]5(C)C[C@H]4CC(C)(C)C5)cc3)c2C(=O)OC)C1 238813118 AUGCFPZSUZODDH-GDJIYFAZSA-N 559.754 4.754 0 40 KJAB CCOC(=O)C1=C(C)[C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@@]1(C)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 245232407 VFQJTSHELHPHNH-JQLVHUOESA-N 656.327 4.652 0 40 KJAB CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)COc2cccc(F)c2)CC[C@@H]1Oc1ccc(F)cc1 257205628 AZYIDDCEDYCXPV-CUNXSJBXSA-N 508.565 4.688 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)c2ccccc2F)cc1 260740835 MXLFOFCRMUOXEA-HSZRJFAPSA-N 539.673 4.580 0 40 KJAB 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COc1ccccc1NC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408669937 XQOBQYIECSLJOH-NZSGZAQMSA-N 521.400 4.615 0 40 KJAB O=C(NC1CCCCC1)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 408677153 APVNCRFVTQOFKN-UHFFFAOYSA-N 518.079 4.583 0 40 KJAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1Cl 408711272 BZJUFGRXWISUEH-HNNXBMFYSA-N 616.943 4.705 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1OCC 408779887 MZFPXOZUQHWNKU-BKVHRCCISA-N 582.460 4.794 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)c2=O)=N1 408837364 DESMICQQSJANHM-MTCPJELPSA-N 600.505 4.706 0 40 KJAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(Br)cc1OCC(=O)O 408875912 HVPOCNXOMUEGFO-IDUWFGFVSA-N 557.216 4.920 0 40 KJAB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(I)c(O)c(I)c4)c(=O)n32)cc1 408919810 CSIOFDWUBXHROZ-XQJRBFNUSA-N 732.403 4.824 0 40 KJAB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3O)c(=O)n21 408933331 AQXNCSMWXMDRHX-HUHAETNCSA-N 795.231 4.873 0 40 KJAB CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC 409160329 UEWYNRXGRNOFKP-WOJGMQOQSA-N 552.390 4.682 0 40 KJAB CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc1OC 409218552 FXDPWUDTSFVFQH-GRSHGNNSSA-N 568.829 4.972 0 40 KJAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(I)cc1 409359640 XCYFSRZQERVRLZ-UHFFFAOYSA-N 508.385 4.521 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2)cc1 409391324 NBEKQDWTBASSLE-UHFFFAOYSA-N 544.073 4.576 0 40 KJAB CN1CCCCN(C(=O)C2CCOCC2)CCCCOc2ccc(Cl)cc2C(=O)N(C)[C@@H](Cc2ccccc2)C1=O 643558861 GPMZBQKHBZWRNO-NDEPHWFRSA-N 584.157 4.690 0 40 KJAB CCc1nnsc1C(=O)N1CCN(C(C)C)CCCN(C(=O)Cc2ccc(OC)cc2)c2c(C)cccc2C1 643566201 DEGJSMBIAQDXDG-UHFFFAOYSA-N 549.741 4.750 0 40 KJAB Cc1ccc(Oc2cc(F)ccc2OC[C@@H](C)NC(=O)[C@@H]2CCC(=O)N[C@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1 643580865 WZFMGXZMKRMKGP-UKOABYEESA-N 710.803 4.967 0 40 KJAB CCOC(=O)/C(F)=C(\C(N)=O)[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]2OC(C)(C)O[C@H]12 2049251917 MAECBNGGLFJGBR-NMKPBYNKSA-N 575.633 4.555 0 40 KJAB COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2cccc(C(C)=O)c2)cc1O 906208 DHHJANOTXZCLLU-PMERELPUSA-N 555.635 4.572 0 40 KJAB Cc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 919577 DRQHGOOCJFJBBQ-UHFFFAOYSA-N 517.028 4.714 0 40 KJAB CC(=O)c1ccc(NC(=O)Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3c4c(sc32)CCCC4)cc1 2445436 LUDKOQNQFJAPPU-UHFFFAOYSA-N 507.999 4.587 0 40 KJAB CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4cccs4)C(=O)N23)cc1 2967752 OHMUKYXJJDBCOS-HSZRJFAPSA-N 545.690 4.908 0 40 KJAB COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCN(c5cccc(OC)c5)CC4)cc3N2)cc1 3011603 ZWVRUSYDEOICNV-GMAHTHKFSA-N 515.536 4.523 0 40 KJAB CCCOc1ccccc1N1C(=O)[C@@H]2C3C(C)=C(C(=O)OCC)C(C)([C@@H]2C1=O)[C@@H]1C(=O)N(c2ccccc2OCCC)C(=O)[C@H]31 6500906 KOQDRQBIGYHNHJ-NTNDAWCFSA-N 614.695 4.705 0 40 KJAB biogenic CC(C)C[C@@H](C(=O)NCCc1ccc(Cl)cc1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8788835 XMQORUHRMPQKOC-FIPFOOKPSA-N 507.034 4.630 0 40 KJAB biogenic O=C(NCc1ccco1)/C(=C/c1ccc(OCCOc2ccccc2F)cc1)NC(=O)c1ccccc1 8858229 RNOHVHCFHWHYSO-XHPQRKPJSA-N 500.526 4.964 0 40 KJAB Cc1ccccc1N1CCN(C(=O)c2cc3cc(Br)cc(Br)c3oc2=O)CC1 10272024 RADKTXYMULOYLH-UHFFFAOYSA-N 506.194 4.589 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1ccccc1C)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)c(OC)c1 13024372 VCJZDTGSXOUSJR-NDEPHWFRSA-N 529.641 4.836 0 40 KJAB CC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 13495213 VHFGIUBTZMHLSR-DEOSSOPVSA-N 516.602 4.521 0 40 KJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1C 14154997 MJWMRCPSHYMJKF-UHFFFAOYSA-N 527.668 4.531 0 40 KJAB CCc1ccc(S(=O)(=O)NC[C@]2(C)C[C@H](NS(=O)(=O)c3ccc(CC)cc3)CC(C)(C)C2)cc1 16162051 DKMWFKYFHYZURJ-ATIYNZHBSA-N 506.734 4.653 0 40 KJAB CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 19856446 YRHJUQXRLQYDJN-UHFFFAOYSA-N 520.438 4.967 0 40 KJAB O=C(Nc1ccc(F)c(F)c1F)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 19931216 QOFOQGHPSWLSLZ-QGZVFWFLSA-N 503.329 4.939 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c(Cl)c1 20112278 GVJPJNCXHIZXNB-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB COc1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 20235889 WICHGKVYWQSUAI-UHFFFAOYSA-N 508.518 4.865 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2OCC)cc1Cl 22269619 MZZUIHXODSMOMV-QFIPXVFZSA-N 503.020 4.666 0 40 KJAB COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)CC(=O)N2 40400057 XAMRMCSHGWBBNM-KRWDZBQOSA-N 513.579 4.738 0 40 KJAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 59836772 ZFEGXOYBWIONAF-CYBMUJFWSA-N 540.482 4.781 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)Cc2ccc(Cl)cc2Cl)cc1 59837771 HUGABKOYYBCKIZ-UHFFFAOYSA-N 610.585 4.594 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 59885943 GUAKDSKXAZIHLO-UHFFFAOYSA-N 583.663 4.778 0 40 KJAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 60018016 JIEVRWOHJSYLDU-UHFFFAOYSA-N 586.519 4.523 0 40 KJAB COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2cc3cccc4c3n(c2=O)CCC4)cc1 85880071 PKJIIZKXQLRTBA-HXUWFJFHSA-N 521.525 4.876 0 40 KJAB biogenic COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)c(=O)n2[C@H]1c1cccs1 97946459 KRYROVVKHSLRLF-QFDNUGPTSA-N 552.681 4.631 0 40 KJAB CC[C@@H](NC(=O)Cc1c(C)c2cc3c(-c4ccccc4)coc3cc2oc1=O)C(=O)NCCCCCC(=O)O 97957034 HDBDUICTDMMYGF-XMMPIXPASA-N 532.593 4.713 0 40 KJAB CC(=O)c1c(C)nc2sc3c(=O)n(-c4ccc(S(=O)(=O)Nc5ncccn5)cc4)nnc3c2c1-c1ccc(Cl)cc1 98007413 VCYPWFRQNNMZDE-UHFFFAOYSA-N 604.073 4.813 0 40 KJAB O=C(CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1)NCCc1c[nH]c2ccc(Cl)cc12 98046179 GERSKSADYGJEOG-UHFFFAOYSA-N 542.992 4.881 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 100190113 CBRCHVIXIQGQKV-CVGPFBNFSA-N 525.468 4.684 0 40 KJAB CCOC(=O)[C@@H](C(=O)CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1)c1nc(C)cs1 102221175 WCMFFDIXQNGBMV-NRFANRHFSA-N 547.058 4.925 0 40 KJAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21 103131473 GZIGPHBFSOFQHT-MHECFPHRSA-N 587.481 4.702 0 40 KJAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(I)cc1F 105314566 XETUFEGOMWUGEE-UHFFFAOYSA-N 523.165 4.637 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(O)ccc4ccccc34)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 105500335 CTLHLQOLOYQCJO-LRUGRNCASA-N 550.636 4.819 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 110245120 NEFMOTJFAMTNSD-UQDCTOEPSA-N 559.688 4.569 0 40 KJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@](O)(CC(=O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]4(C)C[C@H](O)[C@@]32O)C1 118928383 BCCTYEHUEJTHPG-JXXHKZCFSA-N 506.724 4.665 0 40 KJAB O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 198274410 ITEZANKEHRIOGQ-UHFFFAOYSA-N 655.036 4.784 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3c4ccc(Br)cc4C[C@@H]3C)cc2)cc1 222672807 RHAUKASRSZKHEG-KRWDZBQOSA-N 515.429 4.915 0 40 KJAB Cc1ccc(CN(C(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 222777200 SQAMAMADHLNIJZ-FQEVSTJZSA-N 522.111 4.527 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 222849786 ACJGVEVVNFIZBS-JGCGQSQUSA-N 615.752 4.594 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223152238 LMPFUPVTVHRAOQ-FGZHOGPDSA-N 616.578 4.985 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 223244839 LRTDNYCSHZZXOE-VWLOTQADSA-N 576.546 4.844 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 223333029 FKZHNMIJNHFJMP-FREGXXQWSA-N 563.764 4.933 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 223395459 ZIPAPYGMTDTKBC-HSZRJFAPSA-N 522.111 4.608 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 223397031 ODGHOIQHQUGBAS-DEOSSOPVSA-N 536.138 4.917 0 40 KJAB CC(C)(Cc1ccccc1)NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 223895048 WTITUPVRIQSUDS-UHFFFAOYSA-N 501.446 4.782 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224096036 KBHHCHRWIHAVKM-QHCPKHFHSA-N 551.684 4.540 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 224098186 YOKAGSYDDOOFPN-RUZDIDTESA-N 572.525 4.588 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 224099104 ALIPAEGFIPYMCP-RUZDIDTESA-N 561.626 4.844 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C)c(Cl)c2)c2ccc(Cl)cc2)cc1 224133313 YPQFYRFDVDGYPN-UHFFFAOYSA-N 523.438 4.701 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 224202710 SJMGOFPYMOQSJW-SANMLTNESA-N 542.101 4.787 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1C 224404185 MUCRTWCMALWVTL-NDEPHWFRSA-N 567.727 4.763 0 40 KJAB Cc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 224497481 ZRKVWADRGVIYCD-DEOSSOPVSA-N 553.700 4.561 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 224708403 NOUSSRLVRLPIRL-JOCHJYFZSA-N 542.101 4.787 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2CN2CCCCC2)c2ccccc2C)cc1 224811060 LYZIQSRNBXCZSM-UHFFFAOYSA-N 505.684 4.801 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 224991264 QJQIGNIFJQXDQY-MHZLTWQESA-N 600.579 4.688 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 225074164 XFXJZEKNWXDUIM-SANMLTNESA-N 521.683 4.524 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cn2)cc1C 225278527 CRBJXMXQULLWFL-UIOOFZCWSA-N 533.057 4.991 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(I)cc1 225348388 YIGCMDUATKFUQU-DEOSSOPVSA-N 564.464 4.935 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2cccc3cccc1c23 225374239 XSFBIGLTOOEOHH-RTWAWAEBSA-N 501.627 4.921 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 225376501 AIUHKOYYORKIBH-MHZLTWQESA-N 581.735 4.541 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 225390354 LUGHFKTYEGZATG-LOSJGSFVSA-N 595.762 4.848 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 225425399 OXDQBHCXUBKVLY-IZZNHLLZSA-N 549.737 4.873 0 40 KJAB COC(=O)c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)o2)cc1 225470083 WECNLJOJLKJKBE-UIOOFZCWSA-N 562.673 4.985 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 225592302 ARKTXSYOVVEHBI-HHHXNRCGSA-N 556.128 4.581 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2c(C)cc(C)cc2nc1O)C[C@H]1CCCO1 253616903 CUKRKTXNJUBVHU-BVAGGSTKSA-N 504.610 4.863 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 260766434 GTKBXPQVGZXJCF-HSZRJFAPSA-N 551.684 4.806 0 40 KJAB COc1cccc(N(CCCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 260923977 UUBSLRFGRBNTAL-LJQANCHMSA-N 572.555 4.738 0 40 KJAB Cc1ccc(Cl)cc1N(CCCC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O 260941433 OPHDCRVJMHLROI-HXUWFJFHSA-N 540.101 4.523 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 260991381 QDGPXYAWGKIADY-PMACEKPBSA-N 522.111 4.561 0 40 KJAB Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 261003367 SADGOKCCZZOARL-XMMPIXPASA-N 535.710 4.831 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 261030924 JMRBSLZIQWMKBU-VIZCGCQYSA-N 563.764 4.933 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 261046909 LHRRRRKIBLFEMY-RNAHPLFWSA-N 579.763 4.796 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 261113389 YDKHZKBYGYZQNN-VXKWHMMOSA-N 662.205 4.902 0 40 KJAB COc1cc(CN(C(C)=O)c2ccc(N3CCOCC3)c(C(=O)O)c2)ccc1OCc1cccc(C)c1 408563215 ACPVJNQDXBZBNP-UHFFFAOYSA-N 504.583 4.671 0 40 KJAB COC(=O)c1c(NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)sc2c1CCC2 408624152 FTFQNJKQCMSTGE-UHFFFAOYSA-N 542.723 4.896 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 408635875 ISEVMDGPKGLUDB-UHFFFAOYSA-N 521.536 4.916 0 40 KJAB COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)CC2=O)cc1 408636619 BFKPWVQTSOLEOJ-GOSISDBHSA-N 570.381 4.778 0 40 KJAB Cc1ccccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccc(Br)cc3)cc2)CC1=O 408643656 GJIAHCPNXZOPBN-FQEVSTJZSA-N 536.378 4.756 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1 408649188 KUXBLTPPYOACJU-BGYRXZFFSA-N 567.381 4.997 0 40 KJAB COc1ccccc1N1C(=O)c2ccc(C(=O)N3[C@H](C(=O)c4ccccc4)[C@@H]3c3ccccc3)cc2C1=O 408682641 KZRVTQBFGQTDII-MCYRVCNVSA-N 502.526 4.944 0 40 KJAB Cc1cccc(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1 408686446 NCTISUAZTXHTBZ-XVLRFGCZSA-N 536.628 4.784 0 40 KJAB COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1Br 408920899 LNMGNQOLSJGWAL-VZIOXZNFSA-N 573.534 4.680 0 40 KJAB O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1 409002780 AJEYPMIDIPAZMH-UHFFFAOYSA-N 532.493 4.529 0 40 KJAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccccc3OCc3ccccc3F)c2=O)=N1 409044801 PDEAWERQIRCGLR-DBXPASCUSA-N 528.605 4.516 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(F)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC 409101136 VTWDDMUCVPKONZ-OGMUYLFESA-N 615.727 4.839 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)o3)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br 409103500 WUOIFQWITAPXSE-NQVDAJQJSA-N 687.594 4.516 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3/C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 409112577 DZJOCPWPXNMONG-ZIIZBSPPSA-N 650.938 4.682 0 40 KJAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)C1=O 409233714 WEZPTJIWFCVOQQ-YDZHTSKRSA-N 581.000 4.599 0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)S(=O)(=O)c2ccccc2)c(C)c1 409328034 YFNXURBLXBXCOF-UHFFFAOYSA-N 555.722 4.702 0 40 KJAB CC[C@@H](C)Oc1c(I)cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1OC 409392372 LSZPBQOKWZRYJT-LPKQHDGYSA-N 534.419 4.864 0 40 KJAB COc1cc(CN2CCC[C@@](O)(COc3cc(C)ccc3Cl)CC2)ccc1OCCn1ccnc1 585272223 RAOUSFHFYJUOGZ-MHZLTWQESA-N 500.039 4.729 0 40 KJAB Cc1noc(-c2ccccc2OCC(=O)N2CCC3(CCCCCc4ccccc4OCCN(C)C3=O)CC2)n1 643562194 GLBAYIZOTNSTEO-UHFFFAOYSA-N 546.668 4.687 0 40 KJAB Cc1cc(C)nc(N2CCC(C(=O)N3CCOc4ccc(-c5cccnc5)cc4Cc4cccc(c4)C(=O)N(C)CC3)CC2)n1 643567715 RPHYSMMLPIDQOV-UHFFFAOYSA-N 604.755 4.956 0 40 KJAB CC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)CCn3ccnc3C(C)C)Cc3ccccc31)N2CC1CC1 643577296 HJBLYIPWNGVTIR-SXOMAYOGSA-N 505.707 4.815 0 40 KJAB Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)N(Cc3cccs3)C[C@H]3CCCO3)c(=O)[nH]c12 782352 DHAGVNQVDFGOGT-KCWPFWIISA-N 526.666 4.703 0 40 KJAB COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)[C@@H]2COc3ccccc3O2)cc1 930808 VVHRENMQHSFZIZ-RRPNLBNLSA-N 504.583 4.647 0 40 KJAB COc1cccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2)c1 1372598 PARJQQSAXXPJPU-PMERELPUSA-N 519.605 4.839 0 40 KJAB O=C(C[C@H]1C(=O)N(c2ccc(F)cc2)C(=S)N1Cc1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1 1440561 YKZKRGHQXVFORB-FQEVSTJZSA-N 511.962 4.739 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 2149301 CLNINCKNQNEOTI-MHZLTWQESA-N 542.613 4.567 0 40 KJAB biogenic COC(=O)C1=C(N)Oc2cc(N(C)C)ccc2[C@@H]1c1cc(Br)ccc1OCc1ccccc1 2170021 JVGTXRYGCOYCGE-HSZRJFAPSA-N 509.400 4.962 0 40 KJAB CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1c(C)cc(C)cc1C 3104113 MPACNLYNSLJEEJ-HSZRJFAPSA-N 507.612 4.555 0 40 KJAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1cccc(C(F)(F)F)c1 3276353 XLKGGDVUTLNOAR-UHFFFAOYSA-N 503.498 4.887 0 40 KJAB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(S(=O)(=O)NCc2ccco2)cc1 3286832 AFMJPJYERKHKAO-UHFFFAOYSA-N 520.588 4.744 0 40 KJAB COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cc(OC)ccc2N(C(=O)c2ccccc2)C1(C)C 8440220 LVFGTWUHCQUKLM-UHFFFAOYSA-N 683.782 4.926 0 40 KJAB CN(C)S(=O)(=O)c1cc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)ccc1Cl 8693845 WVGHXNLCEMICDU-UHFFFAOYSA-N 535.525 4.951 0 40 KJAB COc1cc(C(=O)N(C)CCOc2ccccc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 12854729 OEJFKNXOQAVPDA-UHFFFAOYSA-N 502.489 4.883 0 40 KJAB CCOc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 13029964 OENLFSLAXRRTKF-MUUNZHRXSA-N 515.589 4.802 0 40 KJAB CC(C)CCNC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cccc2ccccc12 13031114 YTOBNJXWCSROGI-LJAQVGFWSA-N 506.610 4.916 0 40 KJAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 13096033 DJBQAVXUFVCCDK-UHFFFAOYSA-N 511.847 4.992 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@H]3Sc4[nH]c(=S)sc4[C@@H](c4ccc(OC)cc4)[C@@H]3C2=O)cc1 13149280 PWMUKQAOIMUUIX-LNLFQRSKSA-N 512.634 4.787 0 40 KJAB CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 13495039 FVJINTRGXNXVRC-DQEYMECFSA-N 504.610 4.603 0 40 KJAB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 14413201 GVPLTFVZSGPGND-UHFFFAOYSA-N 511.344 4.570 0 40 KJAB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)[C@@]1(C(=O)OCc3ccccc3)CCCN1[C@H]2c1ccc2ccccc2n1 14944317 VDIVWQCPHRJJKY-CKXMCULTSA-N 517.585 4.673 0 40 KJAB COC(=O)c1cccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c1C 19856326 YYJVLKUDPPAYJB-UHFFFAOYSA-N 507.395 4.922 0 40 KJAB Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccccc4F)CC3)cc12 19940872 UGQPHXHSTBOCLK-HHHXNRCGSA-N 515.637 4.687 0 40 KJAB COCCn1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)N(Cc1ccccc1)Cc1ccc(Cl)cc1 19973012 HHLFSAKZEGJICU-MHZLTWQESA-N 529.044 4.915 0 40 KJAB Cc1ccc(Cl)cc1N1CCN([C@@H](c2cc3ccc(C)c(C)c3[nH]c2=O)c2nnnn2C(C)(C)C)CC1 19973046 RVHUBKIKIYIFFD-VWLOTQADSA-N 520.081 4.760 0 40 KJAB COc1c(Br)cc(Br)cc1C(=O)Nc1cccc(-c2nn3cnnc3s2)c1 20528874 VDWSEHNNHNKORZ-UHFFFAOYSA-N 509.183 4.639 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2ccnc2)c2ccc(Cl)cc2C)cc1 22431789 MJDFJWCRKKHJHT-UHFFFAOYSA-N 509.031 4.654 0 40 KJAB O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 34853980 WMRHHRDZYIPISU-HHHXNRCGSA-N 503.599 4.665 0 40 KJAB aggregator C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1C(=O)OC(C)(C)C 59130599 MUJXXXHANUHUQH-QFIPXVFZSA-N 524.681 4.913 0 40 KJAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(C)(=O)=O)cc2)c1 59884851 BRSOVFWEFPNDLB-UHFFFAOYSA-N 622.043 4.582 0 40 KJAB COC[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@H]1C 95598674 CNPVJJQCETWNEU-NTKDMRAZSA-N 533.639 4.501 0 40 KJAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\NCCCCCCN/C=C1\N=C(c2ccc(Cl)cc2)OC1=O 97944453 WQNYHKMHWVCVAS-BMJUYKDLSA-N 527.408 4.723 0 40 KJAB Brc1nc(I)cc(I)c1OCc1ccccc1 100009761 JAWFFRMFLICJDV-UHFFFAOYSA-N 515.914 4.632 0 40 KJAB CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2cccc(F)c2)cc1OC 100364439 LQGZGTQNJGNFJY-MHZLTWQESA-N 533.604 4.667 0 40 KJAB Cc1cccc(N2CCN(c3cnn(C45C[C@H]6C[C@@H](CC(CC(=O)O)(C6)C4)C5)c(=O)c3Cl)CC2)c1C 101094708 LYKAQQZEWMOXBA-QHSPCKSISA-N 511.066 4.610 0 40 KJAB CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccncc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N23)cc1 101590341 GSMRCWXPZWMLMS-YQQRZDPSSA-N 555.590 4.863 0 40 KJAB CCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4nnc(-c5ccc(C)cc5)o4)cc3)CC2)cc1 102874285 XGHZKNJJIZYKDT-UHFFFAOYSA-N 530.650 4.811 0 40 KJAB CCOc1ccc(NC(=O)NC(=O)COC(=O)COc2ccc(C3SCCCS3)cc2)cc1OCC 102904204 MXNPJLILRHKJJE-UHFFFAOYSA-N 534.656 4.623 0 40 KJAB Cc1ccc(N2C(=O)/C(=C\Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)c3ccccc3C2=O)cc1C 103004717 XVFVRWSLSNYWCT-ULJHMMPZSA-N 552.052 4.618 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1Br 104072171 DQXLVHWFZWGCJO-QUMGSSFMSA-N 573.399 4.585 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 106756520 CCMAPGURLINTMP-JCMHNJIXSA-N 602.507 4.914 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3ccc(NC(C)=O)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2 108449704 YBMURDXOXTZLGU-SANMLTNESA-N 602.688 4.652 0 40 KJAB biogenic O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 216126513 ZUFQPLNGZZERGM-GDLZYMKVSA-N 558.685 4.951 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 222517340 NDSCAGNKOIOCQK-PMERELPUSA-N 603.716 4.724 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 222596522 QGFIJRWLLVIKCW-HSZRJFAPSA-N 542.529 4.872 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c2ccc(C)cc2)cc1 222644794 RPNNKFKAGGQVQM-QHCPKHFHSA-N 551.709 4.531 0 40 KJAB 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CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 224463820 ZASBITWIVUKYLZ-DEOSSOPVSA-N 554.540 4.934 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc4c5c(cccc35)CC4)Oc3ccccc32)cc1 224516038 SOXFEEUBMUJXGE-SANMLTNESA-N 500.576 4.542 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O)[C@@H](C)C(=O)NC1CCCCC1 224701209 HOIPVXDSLHMNJW-NRFANRHFSA-N 549.684 4.686 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2)c2ccc(Cl)cc2)cc1OC 224910625 WBMLQGVQSIOFEF-UHFFFAOYSA-N 530.046 4.791 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)ccc1OC 225290403 QNBPMERWXHPGEK-UIOOFZCWSA-N 505.644 4.605 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1Br 225369529 QHEPHBYFPQWCLB-CVEARBPZSA-N 511.844 4.822 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 225396911 SPCXMBWJRNHEQY-ZEQRLZLVSA-N 641.787 4.638 0 40 KJAB COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)o2)cc1 225414175 KDPRMFDANHDQIM-JWQCQUIFSA-N 548.646 4.677 0 40 KJAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)ccc1NS(C)(=O)=O 225460929 NRIWGKJXMIHUCO-RPBOFIJWSA-N 521.643 4.868 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 225558544 FBYGFSWZJSIFNO-VWLOTQADSA-N 596.071 4.819 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C(=O)O)cc1 225673201 VCASNEKCPIMAJD-RRPNLBNLSA-N 541.633 4.580 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 225708254 JDGJNHXAYHBJRC-OPAMFIHVSA-N 546.492 4.621 0 40 KJAB C[C@H]1C[C@@H](C)CN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCc3ccc(F)cc3)n2)C1 225948549 OVCAVUZZBJVQPP-SZPZYZBQSA-N 533.721 4.911 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@]3(CCCN(CC(=O)Nc4ccc5c(c4)CCCC5)C3)OC[C@@H]2CC(C)C)cc1 257240985 HWBLDDJLMKVVDR-QCENPCRXSA-N 553.769 4.783 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1 260766397 GQSISGKPVFKJBI-HSZRJFAPSA-N 565.736 4.785 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)c1 260826111 YKKNYNQQWGDHPD-JOCHJYFZSA-N 557.757 4.625 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NCC(C)C)c2ccccc2OC)cc1 260875737 GVRKKWVNMIUWCW-JOCHJYFZSA-N 602.153 4.742 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 260882233 IRISCJDIECEFTG-YADHBBJMSA-N 572.127 4.876 0 40 KJAB Cc1ccc(CNC(=O)C(=O)Nn2c(C(=O)Nc3c(C)cccc3C)cc3cc(Br)ccc32)cc1 408578509 WAGHXSQWLXXZKV-UHFFFAOYSA-N 533.426 4.968 0 40 KJAB CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2Cl)cc1 408584637 SHPJUPLKQQAWGZ-UHFFFAOYSA-N 502.976 4.643 0 40 KJAB COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)sc2c1CCN(C)C2 408614782 HXEMRAIDWHVWQK-UHFFFAOYSA-N 568.504 4.663 0 40 KJAB CC1CCC(NC(=O)CCN2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)CC1 408645429 AAHYUYBTOSYLRT-WFNVXFNHSA-N 511.449 4.665 0 40 KJAB O=C(CCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccccc1F 408648713 CIZPGHSSESHRGZ-QULSYZCUSA-N 524.375 4.852 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3ccc(OCC)cc3OCC)c(=O)n2[C@H]1c1ccc(Cl)cc1 408837392 DRHJJMMUUXTMOW-IMEWXKHHSA-N 581.012 4.792 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409001839 WXMKXFGOXWRFOV-ZYSRDMNZSA-N 570.692 4.583 0 40 KJAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)C1=O 409017464 WVXYYTZBTJVCFA-MDBUFAAASA-N 519.959 4.614 0 40 KJAB Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)cc1 409023654 ANLPZWSCZLYGJV-UHFFFAOYSA-N 505.640 4.892 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OC)cc4C)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409115518 MPNXPCMCSXAFAK-CRCYZHLCSA-N 651.535 4.924 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Br)c1OCc1cccc(C(=O)O)c1 409138410 BIGWFXMJACQAQX-XDHOZWIPSA-N 536.400 4.808 0 40 KJAB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc34)c(I)c2)C1=O)N1CCOCC1 409139658 CNTMVZVMSBBBPM-BUVRLJJBSA-N 614.461 4.919 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(I)c1O 409172327 CLTDDTBVFAGEJL-VCHYOVAHSA-N 552.390 4.687 0 40 KJAB CCOC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OCC)c3)C2=O)cc1OCC 409355192 JOSKODKUFNTVKB-UUYOSTAYSA-N 591.038 4.532 0 40 KJAB COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4\C(=O)N(Cc5ccc(Cl)cc5)c5ccccc54)c(=O)n32)c1 409387274 ICROPPCBPHLWHX-PBAWISNSSA-N 644.149 4.774 0 40 KJAB O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)Nc1cccc(Br)c1 409390165 JVGJGTUTKJWMOU-UHFFFAOYSA-N 501.402 4.608 0 40 KJAB COc1cc(CN2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OCCn1cccn1 585272729 WFAVPSNDLXNPEA-HHHXNRCGSA-N 500.039 4.647 0 40 KJAB COc1ccc(-c2noc(CCC(=O)N3CCC4(CCCCc5ccccc5OCCCC(=O)NC4)CC3)n2)c(OC)c1 643561773 HQDXMXRYSIBZHH-UHFFFAOYSA-N 590.721 4.997 0 40 KJAB CC1(C)COCCC[C@H]2CN(Cc3ccc(OC(F)(F)F)cc3)CC[C@H]2CC(=O)N(CC2CC2)C[C@@H]1O 1534604426 JCNPTIQSCOTCEZ-LSQMVHIFSA-N 526.640 4.850 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2Cc2ccc3c(c2)OCO3)cc1 1077953 HDCBNNNGXJRUCC-QFIPXVFZSA-N 566.035 4.777 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)c2cccc(Br)c2)cc1 1103053 RGYZYIRTQHCGQK-UHFFFAOYSA-N 507.837 4.923 0 40 KJAB COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 1372421 VHWJONCEFXVASN-SSEXGKCCSA-N 537.595 4.666 0 40 KJAB CSc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)c1 3215377 QDDVUEMVZXVDGF-UHFFFAOYSA-N 543.070 4.913 0 40 KJAB CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)n1 3315732 AXSXQWMHGAZLHK-UHFFFAOYSA-N 514.032 4.881 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1 9339694 VUHJCWNONMNWHV-CVGPFBNFSA-N 513.034 4.888 0 40 KJAB COc1ccccc1CNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cc(C)ccc1OC 10300514 PCWWIXDUWRXFTQ-UHFFFAOYSA-N 523.438 4.831 0 40 KJAB COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2cnccn2)c2ccc(Cl)cc2)cc1OC 12715964 NESDPBJTIPBYCD-RUZDIDTESA-N 509.006 4.984 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccccc1C)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCCO2 13024366 VHSSZEXAFRQATI-MUUNZHRXSA-N 527.625 4.590 0 40 KJAB CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)CC)c2cccs2)cc1 13032627 RASBVKIHTXWHLR-RUZDIDTESA-N 505.644 4.971 0 40 KJAB Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)cc1 13076011 JIYSUJZLGZQGMS-UHFFFAOYSA-N 502.552 4.571 0 40 KJAB CSc1nc(N(C[C@H](C)O)C[C@@H](C)O)c2sc3nc(CC(C)C)c4c(c3c2n1)CC(C)(C)OC4 13805233 ZFHAEJSHNVZVMB-GASCZTMLSA-N 504.722 4.579 0 40 KJAB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)NCCc1ccc(Cl)cc1Cl 14128734 TZMDHOZPKLGDBL-UHFFFAOYSA-N 504.336 4.526 0 40 KJAB CCOC(=O)c1sc(N[C@@H](NC(=O)c2cccs2)C(=O)c2ccc(C)cc2)c(C(=O)OCC)c1C 16735296 YVDSPHSZOGFFOL-OAQYLSRUSA-N 514.625 4.831 0 40 KJAB O=C(CCN1CCOCC1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(Br)cc1 20029166 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CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 260869561 ATSOGHUXTSGKNQ-JPYJTQIMSA-N 542.529 4.790 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1C 260962814 ZDEZIJBXFCCPGD-HSZRJFAPSA-N 545.721 4.855 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 260962831 LHXMBZCFPDCTIK-YKSBVNFPSA-N 566.562 4.554 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 260972028 MQYPHMHHDKUGIJ-DQEYMECFSA-N 565.736 4.839 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 260988857 CHGKAJADDVBPMJ-MUUNZHRXSA-N 619.706 4.892 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 261037196 KDIMQTLMDQDHAT-PKTZIBPZSA-N 569.699 4.670 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 261039702 KMGPJMVHOWVYGJ-ZBLYBZFDSA-N 574.118 4.800 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 261111941 XVTNIVBOSGMLDD-OAQYLSRUSA-N 587.689 4.891 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 408550566 IAADWWRFNHKLJH-HYARGMPZSA-N 649.507 4.675 0 40 KJAB O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1 408586096 AESLVXCHGXSTIU-UHFFFAOYSA-N 560.503 4.863 0 40 KJAB CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408615585 QWZYCYAMPBSLLG-UHFFFAOYSA-N 581.691 4.563 0 40 KJAB C[C@@H](CCc1ccccc1)NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 408619272 LLBGSVHYGSTBHM-IBGZPJMESA-N 501.446 4.782 0 40 KJAB CCOC(=O)Cn1c(C)c(/C=C(\Sc2n[nH]c(-c3cc(OC)cc(OC)c3)n2)C(=O)O)c2ccccc21 408632478 JDGQYDYUXXAHMN-XKZIYDEJSA-N 522.583 4.533 0 40 KJAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408654114 JSAVNMIKSVCRNC-XWYWGPMTSA-N 541.818 4.880 0 40 KJAB CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1OCC 408678192 GZELECLYJVBABR-UHFFFAOYSA-N 511.021 4.739 0 40 KJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 408683440 IBAQLQCVCVRGTO-LJQANCHMSA-N 521.795 4.604 0 40 KJAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)OCC(=O)Nc4ccc(Br)cc4Cl)c3)C(=O)[C@H]21 408690388 VEMZXVPHYUOEHS-KIXAIZAISA-N 543.801 4.600 0 40 KJAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 408703956 WXRQAVKJGMHTCQ-UHFFFAOYSA-N 504.052 4.783 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(O)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408736035 BKGGCDRTIVEIDU-BIWBSIMWSA-N 512.631 4.781 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)cc3)c(=O)n2[C@H]1c1ccccc1OCC 408739051 SDEXGOYWYUZUJI-HDFSHUSISA-N 572.658 4.915 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3OCC)c(=O)n2[C@H]1c1ccc(Cl)cc1 408980304 FLBOZGQXQWZOFS-HCWVEKLQSA-N 545.060 4.988 0 40 KJAB CCOc1cc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc(Br)c1OCC(N)=O 408999359 CNOPOUAXZFKYCY-UHFFFAOYSA-N 506.422 4.748 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OCC)c4)o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 409000863 NLPCPRGDTJZVIS-GTWFGUSFSA-N 621.509 4.998 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC(=O)OC)c(I)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409032968 CYCTZUKMCXYOEK-AMXTYKKZSA-N 785.451 4.513 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3sccc3C)c2=O)=N1 409036929 CABIQLUTWZYEEV-WVWKGNOCSA-N 561.523 4.720 0 40 KJAB CCOc1c(Br)cc([C@@H](c2c[nH]c3ccccc23)C2C(=O)OC(C)(C)OC2=O)cc1OC 409113113 NQHPDBQRDCFPEC-IBGZPJMESA-N 502.361 4.922 0 40 KJAB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)c(OC)c3)C2=O)ccc1Cl 409156384 OCIJAFPFLLWTHB-CIAFOILYSA-N 533.002 4.989 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(C[C@H]4CCCO4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409198585 IBMYFAUZXKQTIX-QXBFRWAFSA-N 627.763 4.550 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 409267683 XAAZCLMGIPYACQ-UHFFFAOYSA-N 550.102 4.513 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)c2ccc(Cl)c(C(F)(F)F)c2)cc1 409269975 MYLGKROJTXOVLX-UHFFFAOYSA-N 540.947 4.908 0 40 KJAB CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cccc(C(=O)OC(C)C)c1 409343901 DSXFGLXWUGSEKQ-UHFFFAOYSA-N 550.468 4.831 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3)cc2)cc1 409409760 QVFMWUVWYQSECH-UHFFFAOYSA-N 537.619 4.549 0 40 KJAB COC(=O)C[C@H](c1ccc(OCc2ccccn2)cc1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O 524731822 LTXCXLSTAPANOY-QNLPTKCRSA-N 570.598 4.998 0 40 KJAB biogenic COc1ccc(CN2CCOC[C@](COc3cccc(Cl)c3)(OC)C2)cc1OCCCN1CCCCCC1=O 585281186 XERQBFQQMGKKSE-SSEXGKCCSA-N 561.119 4.817 0 40 KJAB O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc2c(c1)CNCCCCCCCN2C(=O)c1cccnc1 643583422 CIOMPZJRQLJICS-UHFFFAOYSA-N 555.723 4.544 0 40 KJAB Cc1cc(OC(=O)[C@@H](C)OC(=O)COCCOCC(=O)O[C@H](C)C(=O)Oc2cc(C)c(Cl)c(C)c2)cc(C)c1Cl 2060999672 COJUIWZUHRNKJO-WOJBJXKFSA-N 599.460 4.635 0 40 KJAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(Br)c3)N2C(=O)CN1CCc1ccccc1 2115400 NLCUDTVPPRJLBK-RPLLCQBOSA-N 514.423 4.858 0 40 KJAB biogenic CC(=O)Nc1ccc(NC(=S)N[C@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 3304859 UWLJJZWIYHASLU-INIZCTEOSA-N 538.682 4.820 0 40 KJAB Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN(c4nc5ccccc5s4)CC3)cc2c1 6300668 QGQXOOIMJIKHON-SANMLTNESA-N 540.697 4.768 0 40 KJAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)N1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 8431606 GYONBGMWRKZKFF-UHFFFAOYSA-N 559.622 4.904 0 40 KJAB CCOC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(Br)cc1 8691490 HWJSXQRKMJTQQU-QFZWGZQFSA-N 502.405 4.796 0 40 KJAB COc1c(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)cc2ccccc2c1Br 8833202 RIVAOKCUGPAEHK-UHFFFAOYSA-N 500.418 4.574 0 40 KJAB CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)CC1 8896947 DZMBBVYWOLILIA-UHFFFAOYSA-N 500.668 4.636 0 40 KJAB CCc1ccccc1N(C(=O)CCC(=O)Nc1cc(C)on1)[C@H](C(=O)NC(C)(C)C)c1ccc(OC)cc1 12492671 PUHDJEVMKJKMQH-MHZLTWQESA-N 520.630 4.962 0 40 KJAB O=C(CNc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(Cl)cc1 12618399 WLIDDXHXTRKCLQ-UHFFFAOYSA-N 520.438 4.926 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1OC)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1 13024051 HVLIEHBRUFALCZ-MHZLTWQESA-N 529.641 4.836 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC 13024537 PURYFHSVQGVVIM-HHHXNRCGSA-N 515.614 4.528 0 40 KJAB COc1ccccc1N1CCN(C(=O)CSc2nnc3c4ccccc4nc(C4CCCCC4)n23)CC1 13086075 ZMNAZDXJNXXTNF-UHFFFAOYSA-N 516.671 4.775 0 40 KJAB CC[C@@H](c1nnnn1C(C)(C)C)N(CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O 13494570 UYHOKOWKZSPDQJ-QHCPKHFHSA-N 518.662 4.791 0 40 KJAB C/C(=C\C(=O)Nc1ccc(S[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1)C(=O)O 13579124 MDENEISWKKLCDD-YEXLONIWSA-N 504.564 4.899 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1OC 14155399 KJPTVUQYYRULLG-UHFFFAOYSA-N 509.411 4.522 0 40 KJAB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)cc1 14277149 QPNPVXZWOGFCAN-OVCLIPMQSA-N 504.631 4.683 0 40 KJAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1 20048731 XPAATAVHZSJVJH-UHFFFAOYSA-N 500.020 4.534 0 40 KJAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2cc(Cl)ccc2OC)CC1 21577545 LOHPUVUFOBFMQG-UHFFFAOYSA-N 509.459 4.578 0 40 KJAB COc1cc(C(=O)NCCC2=CCCCC2)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 22253883 GSGJJKOKALNGRU-UHFFFAOYSA-N 507.052 4.944 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2Br)cc1C 22268339 KWNOHNCISKOOEA-QFIPXVFZSA-N 517.445 4.685 0 40 KJAB Cc1cc(OCC(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4F)CC3)cc2)cc(C)c1Cl 97995798 ZDVHVYAOKBDCFG-UHFFFAOYSA-N 555.075 4.950 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCCOc4cc(C)cc(C)c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 100270608 PEFBQSRQEKTSBR-UTAOYMJKSA-N 628.747 4.890 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(F)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 100305407 KUASZFUIQRVREA-PYCBVSLESA-N 602.684 4.924 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc(-c3cccs3)n2)[C@H](C(=O)NC(C)(C)C)c2ccc(Cl)cc2)cc1 100329396 ASASTRABZWJZNU-DEOSSOPVSA-N 553.088 4.748 0 40 KJAB COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C(C)C)cc2)c1 100337263 KDKGHKFHRUOZAR-FREGXXQWSA-N 541.652 4.633 0 40 KJAB COc1cccc(CN2c3ccccc3-c3nc(SCC(=O)Nc4ccc(F)cc4)ncc3S2(=O)=O)c1 101272530 BQZAPJXRQYVXHJ-UHFFFAOYSA-N 536.610 4.731 0 40 KJAB CCc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCN(c4cc(C)ccc4C)CC2)c2sccc23)cc1 101272779 XRBNWODZFSNHIK-UHFFFAOYSA-N 532.695 4.678 0 40 KJAB COCCNC1=C(C(=O)Nc2cccc(C)c2C)C(=N)[C@@H](C(=O)Nc2ccc(Br)c(C)c2)S1 102729922 DITCCTIPAALWMJ-NRFANRHFSA-N 531.476 4.534 0 40 KJAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)ccc2N2CCCCC2)cc1 103050161 RNPZAIONFMUZRB-UHFFFAOYSA-N 598.747 4.523 0 40 KJAB C[C@H](c1ccccc1)n1c(SCC(=O)NC2CCCCCC2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 103103607 NJYBEASUNJBUMS-JOCHJYFZSA-N 583.780 4.506 0 40 KJAB O=C(COC(=O)c1ccc(C(=O)c2ccccc2)cc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 103133964 QNQBFVNIBLNHKT-UHFFFAOYSA-N 541.025 4.541 0 40 KJAB CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCc1ccco1 108447922 RCOWHZDEIPBJAR-PFTPNIEWSA-N 591.705 4.642 0 40 KJAB biogenic COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)C[S@](=O)CC(=O)Nc2ccc(F)cc2)c2ccc(F)cc2)cc1OC 150378922 RLVWZUDTLJFKNA-UQJFHEKJSA-N 635.689 4.760 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 216253366 MMIHRJPLQHBBIJ-JOCHJYFZSA-N 576.140 4.754 0 40 KJAB Cc1ccc([C@H](C)NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 216433636 ZJFQKRWDQLWNKH-SFHVURJKSA-N 534.419 4.672 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 222744744 DQVYCOQAQBTJPK-HXUWFJFHSA-N 592.545 4.977 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222767196 FNSYEHJTAPYBFU-QFIPXVFZSA-N 539.673 4.661 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 222950609 SXUBXAADDVHWBK-OAQYLSRUSA-N 560.091 4.845 0 40 KJAB 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CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 223257804 CZHCHIQSUWQXGJ-LJQANCHMSA-N 588.863 4.985 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223411628 AURAADVOSVJTHN-PMERELPUSA-N 573.690 4.797 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 224141877 AZUKZYIHLFYIQR-AREMUKBSSA-N 586.552 4.896 0 40 KJAB Cc1ccccc1N(CC(=O)NCc1cccc(CN2CCCC2)c1)S(=O)(=O)c1ccc(Cl)cc1 224607037 LFDCMLJBCPXWBE-UHFFFAOYSA-N 512.075 4.756 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(CN3CCCCC3)c2)c2ccc(F)cc2)cc1 224652118 JDVCTGZFKKACPU-UHFFFAOYSA-N 509.647 4.632 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224804210 WFYLNMBMYSCFHS-NDEPHWFRSA-N 570.155 4.888 0 40 KJAB CCOc1ccc(N(CC(=O)NCc2ccccc2CN2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 224812256 LNAWBJGZHRABKG-UHFFFAOYSA-N 535.710 4.891 0 40 KJAB COCc1cccc(NC(=O)c2ccc(CN(c3ccc(I)cc3C)S(C)(=O)=O)cc2)c1 224838149 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KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 225601524 DGCSYAUZXHIFKV-VWLOTQADSA-N 602.540 4.694 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 225707045 CDSRETKQRXAYRL-HXUWFJFHSA-N 566.562 4.528 0 40 KJAB O=C(NC1CCCCC1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 225742527 JRNCZKQAFXIFOP-UHFFFAOYSA-N 521.664 4.975 0 40 KJAB CN(c1ccc2sc(C(=O)Nc3ccc4c(c3)N(S(=O)(=O)c3ccc(Cl)cc3)CC4)cc2c1)S(C)(=O)=O 225851198 HPTUDPWSXBUJJR-UHFFFAOYSA-N 576.121 4.954 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](CC)C(=O)NC1CCCCC1)S(C)(=O)=O 260752150 FLTULJAXKXXGGJ-HHHXNRCGSA-N 587.783 4.896 0 40 KJAB Cc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 260816462 UWYQMOJXWUKUMO-LJQANCHMSA-N 554.540 4.934 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)c2cccc(C)c2)cc1 260884801 JQXZFRMCIZGSNA-XMMPIXPASA-N 553.700 4.827 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 260890706 LJNDWCCFUHEVEX-LJQANCHMSA-N 542.529 4.566 0 40 KJAB Cc1cccc(N(CCCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 260910281 KDHLZODCABFHFK-JOCHJYFZSA-N 531.694 4.547 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 260993098 CXURVNAGBHFILM-LXFBAYGMSA-N 570.155 4.969 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 261010316 UBSABLGYNUOLIC-DQEYMECFSA-N 565.736 4.839 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 261062810 OCWNYRDOVKJSLK-QCDSWUKFSA-N 579.763 4.633 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)Nc1ccc(I)cc1 408550511 DAUPAZGFHVCKRL-UHFFFAOYSA-N 587.233 4.872 0 40 KJAB CCOc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1NC(=O)c1cccc(Cl)c1 408560282 OGJNTCDCLIQHOF-UHFFFAOYSA-N 519.019 4.529 0 40 KJAB COCCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(C)cc1 408573347 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COc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)cc1 408683073 HINSYZIFIYYXBH-JRFVFWCSSA-N 512.562 4.564 0 40 KJAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 408703241 PZOYMYNZLRDDOK-UHFFFAOYSA-N 528.439 4.808 0 40 KJAB O=C(NCc1ccco1)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 408714361 PDNLBDNLIZPZEI-UHFFFAOYSA-N 550.464 4.697 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 408714924 YOYOMLDWZVURIX-HXUWFJFHSA-N 588.579 4.739 0 40 KJAB CCCCOC(=O)c1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(C)o3)C(C(=O)OCC)=C(C)N=4)o2)cc1 408987704 QWQANBMEIDYJCS-DBXPASCUSA-N 574.655 4.917 0 40 KJAB CCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 408989934 UPSUJOSDVJEUNL-SOEBIRPASA-N 524.642 4.724 0 40 KJAB COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(F)cc4)cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 409013434 KKRYIGHSRBCARL-ASUJOLEISA-N 616.711 4.930 0 40 KJAB 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409399565 KATDORZFXHXAKL-JYRVWZFOSA-N 541.782 4.761 0 40 KJAB CN(C)CCC[C@H](c1[nH]c2ccc(Cn3cncn3)cc2c1CCN(C)C)n1cc(CCN(C)C)c2cc(Cn3cncn3)ccc21 520884498 ZTEXYJXRBOGGJU-PGUFJCEWSA-N 635.865 4.542 0 40 KJAB in-vitro CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCC[C@@H](COc3ccccc3F)C2)CCC(=O)N[C@@H](Cc2ccccc2)C1=O 643584908 MRXJFKPIGACQSF-CDSZWMAJSA-N 686.825 4.771 0 40 KJAB CC[C@H](c1nnnn1C1CCCC1)N(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1325211 UVHUUAQVHNIBOB-JOCHJYFZSA-N 506.632 4.616 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc(OC)cc2)c2ccc(F)cc2)cc1 1418979 MKZRJXIRRHUGHX-PMERELPUSA-N 553.594 4.996 0 40 KJAB COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCN(Cc5ccccc5)CC4)CC(=O)N32)c1 2105071 ABTJXKKRXKCLMX-NYDCQLBNSA-N 534.660 4.526 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(-c4ccccc4)[nH]c4c(OC)cccc34)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 2173910 VKDYBULDYMCDDZ-JDKSNUEYSA-N 593.661 4.684 0 40 KJAB CCCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)nc2sc3c(c2c1=O)CCCC3 3227199 HLKZIQAMYNRQPK-UHFFFAOYSA-N 517.698 4.814 0 40 KJAB CC[C@](C)(C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl)N(C)C(=O)CSc1ncn[nH]1 3772594 PGTFWUPPTMNBBB-NZQKXSOJSA-N 506.459 4.737 0 40 KJAB CC(C)CCNC(=O)CN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccc(Cl)c(C(F)(F)F)c1 6133980 FDKZVKJDXFLUJL-UHFFFAOYSA-N 543.377 4.861 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N(Cc3ccco3)Cc3cccs3)cc2c1 6198303 LEHPHOJOUKSJMU-ATIYNZHBSA-N 530.654 4.702 0 40 KJAB COc1ccc(-c2nnn(CC(=O)N(CCc3ccc(OC)c(OC)c3)[C@@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)cc1 7060573 PPPQFLTWASHJDG-JGCGQSQUSA-N 630.721 4.767 0 40 KJAB Cc1ccc(CNC(=O)CCCCCn2c(=O)c3sccc3n(CC(=O)Nc3c(C)cc(C)cc3C)c2=O)cc1 8593031 BFSMLKMIVFOIJW-UHFFFAOYSA-N 560.720 4.974 0 40 KJAB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C(/NCc1ccccc1Cl)Nc1ccccc1 8757673 LFXGFNDICJCIQS-MRCUWXFGSA-N 525.790 4.799 0 40 KJAB CCOC(=O)CCc1c(C)c2ccc(OC(=O)C3CCC(CNC(=O)OC(C)(C)C)CC3)cc2oc1=O 8918515 IDHZFEAZBIZERE-UHFFFAOYSA-N 515.603 4.834 0 40 KJAB biogenic Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccc(Cl)cc4C(F)(F)F)n3N)[nH]n2)cc1 9449330 LRGDRPTYASZCDK-UHFFFAOYSA-N 507.929 4.760 0 40 KJAB Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccc(F)cc2)Cc2ccco2)cc1C 11915179 SFKBHWFTAGASAV-UHFFFAOYSA-N 508.575 4.688 0 40 KJAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C 13148569 LWJMYRHKZPURSK-AGHHOFFYSA-N 506.676 4.944 0 40 KJAB COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N(Cc1ccco1)Cc1ccccc1Cl 20082906 PSFHAFGNIVCGTP-RUZDIDTESA-N 519.005 4.508 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](CC)c2ccc(OC)cc2)c2ccc(F)cc2)cc1 22370508 PNCWKFGAQHBXHL-RUZDIDTESA-N 500.592 4.696 0 40 KJAB CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccccc2F)c(C(=O)Nc2cccc(C)c2)n1 27661994 NFRYFBOWCQYNKW-UHFFFAOYSA-N 508.575 4.770 0 40 KJAB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OCC)cc2)cc1 30848447 AUWWHWGNKVYACC-LJQANCHMSA-N 500.592 4.696 0 40 KJAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(I)cc3C(C)C)n2)cc1 33757610 AZAWDCNRADMKED-UHFFFAOYSA-N 508.385 4.939 0 40 KJAB CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)/C=C/c4ccc(Cl)cc4Cl)cc3)nn12 59331402 ODFCMFALTDCCLP-CSKARUKUSA-N 517.467 4.926 0 40 KJAB O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 59885819 ZMNVWKAMLSYSTE-UHFFFAOYSA-N 522.429 4.677 0 40 KJAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@@H](NCCNC(C)=O)C[C@@H](c3ccc(-c4ccccc4)cc3)N12 67879330 YHHKLRXFETVNJV-GFABANNXSA-N 536.676 4.905 0 40 KJAB biogenic,in-vitro CSC[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(C)cc3)N2C1=O)C(=O)O 70704924 GPEQRJREUHYPPF-SCTDOJESSA-N 568.655 4.505 0 40 KJAB biogenic COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 96114492 QNIJAOJFIQFZNC-QGZVFWFLSA-N 506.507 4.592 0 40 KJAB biogenic Cc1cccn2c(=O)c3cc(C(=O)N4CCN(c5ccccc5Cl)CC4)n(Cc4ccccc4)c3nc12 96347459 CPIPLQRGXKKURL-UHFFFAOYSA-N 512.013 4.622 0 40 KJAB COc1ccc(C)cc1-n1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2c([nH]c3ccccc32)c1=O 97958210 DWZPBAQTEGKWKJ-UHFFFAOYSA-N 539.661 4.625 0 40 KJAB COc1ccccc1Nc1nc([C@H](C)N2CCN(S(=O)(=O)c3ccc(-n4cccn4)cc3)CC2)nc2ccccc12 100035980 AVZXRPWJUSFTHG-QFIPXVFZSA-N 569.691 4.635 0 40 KJAB Cc1cccc(N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1C 100290829 PAHQSRILWCJQLJ-LSYYVWMOSA-N 577.060 4.819 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc(Cl)c(C(F)(F)F)c1 100294181 OTSRTYJMTYLUAK-DOWVISPRSA-N 576.012 4.666 0 40 KJAB COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccccc2F)cc1OC 100363656 AUSCLVIVUFPVQE-LJAQVGFWSA-N 545.615 4.811 0 40 KJAB COc1ccc(NC(=O)CN2C(=O)C[C@H](c3cc(OC)c(OC)c(OC)c3)Sc3ccccc32)cc1OC 100833570 JLILRYWWYIYIER-RUZDIDTESA-N 538.622 4.938 0 40 KJAB CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CCN(c3ncccn3)C[C@@H]12 101391697 IXMFCGISHNRPLY-RDGATRHJSA-N 526.950 4.809 0 40 KJAB CCOc1ccccc1C(=O)[C@@H]1[C@H]2CCCN2[C@]2(C(=O)Nc3c(Cl)cccc32)[C@]12C(=O)Nc1ccccc12 102776630 IQUHXFHRBYUFTH-UFVIZZQYSA-N 528.008 4.753 0 40 KJAB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 102885247 RLZDRXPLIPXJAK-KCHLEUMXSA-N 556.596 4.514 0 40 KJAB COc1cc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc(OC)c1OC 105318111 PNKJKFPHBNCBDN-UHFFFAOYSA-N 555.100 4.815 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(Cl)cc1 105498255 JDPFFSAQGLVCJZ-VZZQTLFRSA-N 568.276 4.573 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)cc1 105511823 BUKIFQHNFNQPGH-JCAJYURWSA-N 606.336 4.640 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H]2C[C@H]3[C@H]3Sc4[nH]c(=O)sc4[C@H](c4ccccc4C)[C@H]23)cc1 106588153 ZUAAIGRCZVCGJD-CARAORCDSA-N 546.670 4.599 0 40 KJAB COc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1Br 106711603 QCSQMBPGKNKGBF-DHDCSXOGSA-N 526.206 4.895 0 40 KJAB COc1ccc(NC(=O)CCCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)c(OC)c1 108449260 FQYPOUDEQQMSIC-DEOSSOPVSA-N 605.688 4.711 0 40 KJAB biogenic Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3F)CC2)Cc2ccc(Cl)cc2)c(C)c1 112253071 VRUXHBPDGDXYDP-UHFFFAOYSA-N 544.092 4.944 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)S(=O)(=O)c1ccc(SC)cc1 216405844 JFXQRBJSBFPZRJ-UHFFFAOYSA-N 612.755 4.837 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 222433511 RZWGVUIICNIZQW-GDLZYMKVSA-N 565.736 4.839 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 222651125 XCBIDPJXLBQMIQ-QHCPKHFHSA-N 540.101 4.666 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 222954723 JSIOLELATOCBHD-XMMPIXPASA-N 551.709 4.533 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C)cc1 223543435 AXRIYBXGRIZZDX-RUZDIDTESA-N 509.444 4.913 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 223586187 LUPKSNDMDQIWIP-MHZLTWQESA-N 581.735 4.623 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223587441 OIUIGINXZODORJ-HHHXNRCGSA-N 599.725 4.762 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 223602974 RBDOCUHORJHBNW-RUZDIDTESA-N 535.710 4.669 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN1C(=O)c2ccccc2C1=O 223694490 DIMPTDYWWNHABH-RBISFHTESA-N 543.639 4.757 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224014420 BHNHJNZEUAVNGY-MUUNZHRXSA-N 569.699 4.753 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 224054273 OZOXMENFCDEHRM-QHCPKHFHSA-N 581.710 4.814 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(OCC)cc1)S(C)(=O)=O 224325230 LOFOYIUKUYKHER-SSEXGKCCSA-N 597.753 4.937 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 224373883 LGVGGVCITVLFEC-MHZLTWQESA-N 581.710 4.896 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 224399769 MYSHSSHWQZJSEL-GDLZYMKVSA-N 643.648 4.845 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)c1 224429139 MISRGWNQXSWNTR-VWLOTQADSA-N 565.736 4.697 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 224859966 PBCLAYQKUGZNTM-NDEPHWFRSA-N 570.155 4.833 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 224867856 LSXDIWLSAYTRKU-LJQANCHMSA-N 564.054 4.757 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 224955049 VHWLOYRIKRULGZ-JOCHJYFZSA-N 576.081 4.747 0 40 KJAB CCc1ccc(CC)c(CNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 225064180 JGJYLMFGWXMNKY-UHFFFAOYSA-N 531.074 4.994 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 225122216 RDJDSWVGFKSXNS-DEOSSOPVSA-N 536.138 4.837 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225183045 LMVLAXKYQXJRPK-XMMPIXPASA-N 552.137 4.537 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 225202850 QROFETKEYLVZFT-JOCHJYFZSA-N 586.552 4.978 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225249159 NTLXFIAFJJGRBM-QHCPKHFHSA-N 542.529 4.873 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 225286489 XFUZERSOZLMZBY-PMERELPUSA-N 579.763 4.798 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 225293043 ZICJCRDHGONFOR-HZPDHXFCSA-N 593.371 4.854 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 225500528 MAUCSKUAPOQBCY-VWLOTQADSA-N 535.710 4.749 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 225717765 FDCZSNPSYQCOOJ-MRXNPFEDSA-N 593.371 4.711 0 40 KJAB Fc1ccc(CCCNC(=S)Nc2nc(N3CCN(c4ccccc4)CC3)cc(C(F)(F)F)n2)cc1 225969670 LWGQQTGOUBKJSC-UHFFFAOYSA-N 518.584 4.880 0 40 KJAB CCOC(=O)C1(c2ccc(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(OCC)cc3)cc2)CC1 226064797 LPLNYEKUEFYDCB-UHFFFAOYSA-N 536.650 4.510 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]3[C@@H]3C=Cc4ccccc4N32)cc1Br 229691883 XRICBSHPLVJRLD-QVQNZMNRSA-N 547.380 4.870 0 40 KJAB Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 257281496 OPMHUCBAPPPXEP-QGZVFWFLSA-N 506.960 4.793 0 40 KJAB Cc1sc(NC(=O)CN2CCC3(CC2)CCC(C)(C)N(S(=O)(=O)CC(C)C)C3)nc1-c1ccccc1 257292471 QLQQMOMFUJHNJQ-UHFFFAOYSA-N 532.776 4.999 0 40 KJAB CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 260764487 UENIXUHXBFEFOW-HSZRJFAPSA-N 586.154 4.918 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1 260875563 GQGILIULCNNFSF-HSZRJFAPSA-N 539.673 4.519 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc(N4CCCCC4)cc3)Oc3cc(C)ccc32)cc1 260902838 WKBLLIGSGWWCBR-HHHXNRCGSA-N 521.639 4.589 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1ccc2c(c1)OCO2 260984293 LUOSDSFNMDGJFF-HHHXNRCGSA-N 656.599 4.643 0 40 KJAB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 260986286 BWMSWTITLUYYCK-AREMUKBSSA-N 586.154 4.669 0 40 KJAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 408607617 MXYCPKNFNWXARC-UHFFFAOYSA-N 586.972 4.997 0 40 KJAB CCOC(=O)c1c(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)sc2c1CCC2 408625802 UFSAHBKUYKZBQR-UHFFFAOYSA-N 528.652 4.565 0 40 KJAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1OC 408629813 IIZDATASBWSDPK-UHFFFAOYSA-N 633.723 4.771 0 40 KJAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)ccc1N1C(=O)[C@@H]2CC[C@@H](C)C[C@H]2C1=O 408667019 PVNSDABVEDDRFE-ZQYQINFJSA-N 509.002 4.841 0 40 KJAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)S(C)(=O)=O 408711541 VPAKTWLBCFSJFC-INIZCTEOSA-N 556.493 4.896 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc(F)cc4)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408804270 WSXHBHKMVOYCBS-BIWBSIMWSA-N 546.595 4.656 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408843600 GKSZNTFUCRLYTG-JUTHHCEFSA-N 531.461 4.892 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3O)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408858335 RVCAEEFZHPLFDW-IYMWYRQMSA-N 683.362 4.658 0 40 KJAB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(Br)cc1OCC(=O)Nc1ccccc1 408903686 WHZKRKTWRSHRCD-QRVIBDJDSA-N 550.434 4.636 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(C)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408907660 CAPLHQOPVXMGGK-PDUUCECCSA-N 524.642 4.643 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccccc5F)cc4)c(=O)n32)cc1OCC 408932309 BZPAWHDBYXTODX-UBMKPUGCSA-N 588.657 4.534 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3O)c(=O)n2[C@@H]1c1ccc(Br)cc1 409000184 MTVHKWBVDHVNNB-IISPMBILSA-N 704.178 4.634 0 40 KJAB COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(I)cc1 409017063 DWZVURRWMHVXDU-DEDYPNTBSA-N 526.330 4.976 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cccc(OC)c3OCC)c2=O)=N1 409034553 HVTNHWVFUGVWPS-XXMKCSCWSA-N 615.546 4.757 0 40 KJAB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(I)c1O[C@@H](C)CC 409039304 RGHCHKVJRCGIQH-CVYJOQCFSA-N 646.547 4.979 0 40 KJAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OCc3cccc(C)c3)cc2Br)C1=O 409043887 BGNOGLRKYZVHAP-KEBDBYFISA-N 520.401 4.945 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccccc1OC 409105613 NJGMWCGWQYNHGX-XKGHIZKOSA-N 605.558 4.665 0 40 KJAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1 409155566 LSFGMOJWSKRKFU-JLPGSUDCSA-N 568.629 4.537 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc([C@H](NC(=O)c3ccc(C)cc3)C(C)C)n2C)sc(C(C)=O)c1C 409161410 USVNRJSWIKGDEV-OAQYLSRUSA-N 571.725 4.731 0 40 KJAB Cc1c(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 409363296 VLAZLHYBDLIJAL-FDVSRXAVSA-N 608.676 4.938 0 40 KJAB COc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1Br 409385872 KSEXHAYYGKZIJR-ZDLGFXPLSA-N 521.820 4.732 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCC(Cc4ccccc4)CC3)cc2)cc1 409391809 OTENQBUSAWCQLB-UHFFFAOYSA-N 508.640 4.746 0 40 KJAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)c1OCc1ccccc1 409399036 FLSKUOBGPDONGG-NDENLUEZSA-N 510.930 4.790 0 40 KJAB O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1)[C@@H]1C[S@@](=O)(=S)C[C@@H]1N(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 575422623 MFBKESUYBSXRNF-LBIFUVBUSA-N 662.827 4.544 0 40 KJAB O=C(CCCn1cnc2ccccc2c1=O)N1CCC2(CCCCc3ccccc3OC[C@@H]3CCCN3C2=O)CC1 643557085 BACPJUUUECCYNB-SANMLTNESA-N 556.707 4.582 0 40 KJAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cc(-c4ccc(C)cc4)on3)CCO2)C1=O 643557898 ZLFZYZSLDSBWCM-PMERELPUSA-N 517.626 4.515 0 40 KJAB Cn1cc(CCC(=O)N2CCC3(CCCCc4ccccc4OCCN(Cc4ccccn4)C3)CC2)cn1 643569168 YPPHPRPNDRXALU-UHFFFAOYSA-N 515.702 4.664 0 40 KJAB CC(C)CCN1CCOCCOc2ccc(C(=O)NCCCCn3ccnc3)cc2Cc2cccc(c2)C1 643580939 ZFOXRDBZPJLODK-UHFFFAOYSA-N 518.702 4.941 0 40 KJAB COc1cc([C@H](CC(=O)NCC(=O)Nc2ccc(C(N)=O)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC 1547139738 ZEAPECFDQMYKPQ-DWACAAAGSA-N 731.799 4.981 0 40 KJAB biogenic CCCc1cc(C(=O)N2CCC[C@]3(C[C@H](OCC4CC4)CN(Cc4cccc(Cl)c4)C3=O)C2)on1 2037879104 SSOLWZMTYUFBAZ-HOFKKMOUSA-N 500.039 4.731 0 40 KJAB COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(Br)c(C)n1 679547 CULIRBVFZNDKAN-UHFFFAOYSA-N 538.059 4.813 0 40 KJAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(I)cc3C(C)C)n2C)c1 686483 YTPCAELUTFHPSZ-UHFFFAOYSA-N 563.465 4.512 0 40 KJAB O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21 906019 KKANVHONUXSFKX-MHZLTWQESA-N 517.033 4.699 0 40 KJAB CCN(CC)[C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1)c1ccccc1Cl 3419071 UBPALMRYUZKESG-OAQYLSRUSA-N 500.492 4.837 0 40 KJAB CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C 3643428 RMIJZOOCAFEUTC-HXUWFJFHSA-N 536.562 4.510 0 40 KJAB COc1cc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)ccc1O 3656204 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CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N(Cc3ccc(OC)cc3)C[C@@H]3CCCO3)cc2c1 19972984 CXBMEJWZYSIMLA-RPLLCQBOSA-N 530.673 4.611 0 40 KJAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 20021554 ZYSQFQKFQZBHDT-UHFFFAOYSA-N 512.472 4.984 0 40 KJAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2cc(Br)ccc2OC)CC1 35317525 WYRPQPTWQWVUDG-RUDMXATFSA-N 506.828 4.822 0 40 KJAB C[C@@H](NC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1)c1ccc(Br)cc1 59928790 DCSIHSIBSFQPQS-QGZVFWFLSA-N 535.435 4.811 0 40 KJAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NC[C@@H]5CCCO5)cc4)C(=O)N32)cc1 70707022 CXTBHEZZXMHYKS-MYELJEHHSA-N 550.615 4.568 0 40 KJAB biogenic [O-][n+]1ccc(N2CCN(CCCN3CCN(c4ccnc5cc(Cl)ccc45)CC3)CC2)c2ccc(Cl)cc21 77312500 SPGYMJCKLXKEMW-UHFFFAOYSA-N 551.522 4.663 0 40 KJAB in-vitro CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)cc1 101185128 LIBDXMDOAPMSDR-SGNDLWITSA-N 523.383 4.908 0 40 KJAB COc1ccc(C(=O)[C@H]2[C@H](c3ccc(-c4ccc(Br)cc4)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 101264146 FGMSHBCQTMLNII-XQBPLPMBSA-N 539.304 4.822 0 40 KJAB CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)N4CCN(c5ccccc5)CC4)C(=O)N23)cc1 101385879 HIWDGKRJUZEDOF-NDEPHWFRSA-N 594.741 4.879 0 40 KJAB CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)sc2c1CC[C@@H](C)C2 103090915 WWDLJQJWFYKTHE-MSOLQXFVSA-N 628.725 4.806 0 40 KJAB O=C1[C@@H]2[C@@H](N=NN2CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)C(=O)N1c1ccc(Cl)cc1Cl 103152271 YZBRPNBNMXSBNF-GPXOXTDOSA-N 547.402 4.665 0 40 KJAB COc1ccc(CNC(=O)[C@@H](Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)C(C)C)cc1OC 108450610 PNTZWKZIHXKCME-UKJJDJLKSA-N 633.742 4.633 0 40 KJAB biogenic Cc1ccc(N2C(=O)C[C@@H](C(=O)O[C@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)[C@H]2c2cccs2)cc1 108843281 WZVYESLTWQNGNM-LXHIVTORSA-N 558.660 4.519 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(Br)cc2F)S(=O)(=O)c2ccc(C)cc2)cc1OC 112246606 WHWPDQNTTKFOHE-UHFFFAOYSA-N 537.407 4.748 0 40 KJAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1 216359911 GLRFSRJIZGPCSW-UHFFFAOYSA-N 500.020 4.534 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 222487913 JALASPIAODXQKH-XMMPIXPASA-N 536.138 4.835 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 222497267 HFEBNQJOJDSICG-IBGZPJMESA-N 548.492 4.660 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1cccc(C)c1C 222691363 QFIPUHBNDKKGGP-DEOSSOPVSA-N 509.444 4.831 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 222952608 RFKVVAAQINEXJG-JOCHJYFZSA-N 542.101 4.869 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 223072862 KYCZGQVYMCMOIV-NHCUHLMSSA-N 522.111 4.527 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 223100261 UBZBFKGBMYEROH-FCHUYYIVSA-N 557.663 4.801 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 223103734 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40 KJAB COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 20462157 ZKJXRHVXXVVYBF-LIONHTAISA-N 506.002 4.631 0 40 KJAB CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 33620093 KKSHBEGDOIWWDX-SFHVURJKSA-N 503.628 4.611 0 40 KJAB COc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)n2C)C(C)C)cc1 35178033 PLJZZBYPXAYKHG-FQEVSTJZSA-N 522.458 4.988 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(Br)cc2)Cc2ccccc2)cc1OC 59834803 CEJVIXIDAPOXOS-SFHVURJKSA-N 547.471 4.535 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2ccc(OC)c(OC)c2)cc1 98000207 QRKDORUFXCXMJO-QHCPKHFHSA-N 565.623 4.551 0 40 KJAB Cn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1 98002705 IQRACBCEOOZONR-UHFFFAOYSA-N 604.783 4.851 0 40 KJAB Cc1cc(C)c2cc([C@H](c3nnnn3CCc3ccccc3)N3CCN(c4cccc(C)c4C)CC3)c(=O)[nH]c2c1 100355100 FKTZFEKVKCXSNE-WJOKGBTCSA-N 547.707 4.903 0 40 KJAB CCOC(=O)c1sc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)c(C(=O)OCC)c1C 101157650 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COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)c1 222873839 YSNCTKLRBYETIM-QFIPXVFZSA-N 599.725 4.679 0 40 KJAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C)cc1 222909326 UJCFVUMUXDBAGW-FQEVSTJZSA-N 562.519 4.703 0 40 KJAB COc1ccc(CN(C(=O)COc2cc(C)c(Br)c(C)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223081897 AAUGNTCKHJLWCG-SFHVURJKSA-N 505.453 4.785 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 223248790 PACHJBJQIOYRRT-JGCGQSQUSA-N 629.779 4.984 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 223316287 GAVYKLUWQFHPIR-FQEVSTJZSA-N 571.571 4.557 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 223403660 SYSMMMYRVNAFNR-HNNXBMFYSA-N 566.910 4.886 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223476319 RNOMNESNYXXSGC-FREGXXQWSA-N 621.800 4.867 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 223586918 HJYGIZHSWIGGET-NDEPHWFRSA-N 630.605 4.780 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(C)(=O)=O 223699221 ZXAYWVIIOZNTHO-VWLOTQADSA-N 562.519 4.536 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 223735015 CSLOIQLMPZFFKQ-JGCGQSQUSA-N 599.753 4.975 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223812362 OFKLQXGZNFAKOQ-QFIPXVFZSA-N 546.492 4.622 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)c2ccccc2OC)cc1 223883587 HLQXCUZTNTYRCU-QFIPXVFZSA-N 597.709 4.514 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 223981101 KFLXFNSORAUTJL-RBISFHTESA-N 630.605 4.779 0 40 KJAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 224058879 NJDVEYWAESAISF-FQEVSTJZSA-N 562.519 4.785 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 224204887 WFKQUHXOJOLEJQ-LJAQVGFWSA-N 579.763 4.715 0 40 KJAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)cc2)cc1 224263763 FAJHHYNDMQCOIK-UHFFFAOYSA-N 515.016 4.945 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 224288190 TXLFCEXHWWWPAX-MHZLTWQESA-N 572.127 4.878 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 224302573 BHIYZUKZLWWGJG-AREMUKBSSA-N 604.542 4.521 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 224334909 GKQKUQFHEOJWNZ-HHHXNRCGSA-N 572.127 4.629 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(C)cc3C)Oc3ccc(C(C)(C)C)cc32)cc1 224522363 PGOWUFIYAWCIMJ-NDEPHWFRSA-N 552.693 4.761 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 224552392 UGPKVRFNALFWOZ-AREMUKBSSA-N 594.174 4.770 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 224821451 FTPLMTIFAVYKNB-HSZRJFAPSA-N 556.556 4.956 0 40 KJAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 225054343 JWACQJPQCDIESA-XMMPIXPASA-N 597.803 4.989 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 225220705 AOZPSANAPXLHOY-HSZRJFAPSA-N 522.111 4.528 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 225348960 XPQVHNTYVYWHFS-NDEPHWFRSA-N 573.756 4.506 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 225430524 ADUPLEXJRMJGEY-LOSJGSFVSA-N 565.736 4.573 0 40 KJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3cccnc3)c2C)cc1NS(C)(=O)=O 225473462 JCQLZGCHPNJTJV-KAYWLYCHSA-N 562.721 4.500 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 225552796 LSLZLQGORDCDQK-WJOKGBTCSA-N 569.727 4.885 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(C)cc1)[C@@H](CC)C(=O)N[C@@H](C)CC)S(C)(=O)=O 225581583 GFCXPCQZYLNASJ-ZCYQVOJMSA-N 545.746 4.662 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 225685875 MLGZWXLZKSLNHU-GBXCKJPGSA-N 585.598 4.945 0 40 KJAB Cc1cccc(CNC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)c1 226038496 XNRMDSFDWOBBGN-UHFFFAOYSA-N 521.864 4.918 0 40 KJAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3)c2)n1 226084993 SRFXKEZUPRWSMA-UHFFFAOYSA-N 558.538 4.582 0 40 KJAB CCc1ccc2nc(O)c(CN(CCc3ccccc3)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 253500377 IKTMEFGOMVKASO-XNMGPUDCSA-N 500.647 4.864 0 40 KJAB Cc1ccccc1-c1nc2sc(=Cc3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@@H](C)O4)c(=O)n2n1 254345949 ABQJDQVUNLEDJX-LJQANCHMSA-N 517.614 4.850 0 40 KJAB COCCn1c(C)cc(CN2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c1C 257274699 NMFMHCVXNVOBBO-PMERELPUSA-N 545.168 4.538 0 40 KJAB CC[C@@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)c2cc(Cl)ccc2O1)c1ccc(OC)c(C)c1 260772872 XEWSRUFVNCYBQY-ATIYNZHBSA-N 545.057 4.889 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC 260813216 VBSQHHMVIGWITK-HSZRJFAPSA-N 611.736 4.823 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)[C@H](C)C(=O)NCC(C)C 260875766 GXCUMMAVCRGBJA-HSZRJFAPSA-N 539.673 4.519 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 260878539 BSUWZCKFEBFCAC-RDGATRHJSA-N 515.720 4.572 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc(F)c1 260922179 MVRKJZKQUHCZCP-GDLZYMKVSA-N 583.701 4.820 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 260997890 RCLNJGOSWGZMRS-RPWUZVMVSA-N 551.709 4.885 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 261048552 LNNNVIRDNJYALD-RTWAWAEBSA-N 536.138 4.781 0 40 KJAB 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@@H]1c1ccc(Br)cc1 408995394 CFXWPYHVUIFDAE-FQWPPLDYSA-N 539.495 4.858 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3OC)c(=O)n2[C@H]1c1ccccc1OC 409102211 VHIRLMDIDPDLJS-RQLGBQGVSA-N 649.405 4.646 0 40 KJAB CCOc1c(I)cc(C(=O)Nc2ccc(I)cc2)cc1OC 409363872 OHDZRWYHHQIASU-UHFFFAOYSA-N 523.108 4.555 0 40 KJAB CC[C@H](Sc1nc2ccsc2c(=O)n1Cc1ccc2c(c1)OCO2)C(=O)Nc1cccc(OC)c1 585146583 KUQJRRDEFJBBOI-NRFANRHFSA-N 509.609 4.753 0 40 KJAB CCOc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O 604404832 SOGHWCSKFCDMNE-OFNKIYASSA-N 532.593 4.964 0 40 KJAB biogenic COc1ccc(-c2cc(C(=O)N3CCN(C)CCCN(C(=O)CC(C)C)c4ccccc4C3)on2)cc1 643554311 PFIXYFZGVRIKAH-UHFFFAOYSA-N 504.631 4.707 0 40 KJAB COCC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)c3scnc3C)Cc3ccccc31)N2Cc1ccccc1 643578303 OXXPGOYLQWEQJP-FTJBHMTQSA-N 532.710 4.900 0 40 KJAB O=C(NCCc1ccccn1)c1ccc2c(c1)CNCCCCCCCN2C(=O)COc1ccccc1 643583909 OSQYKWYVZUUARP-UHFFFAOYSA-N 500.643 4.520 0 40 KJAB O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(CN2CCOCC2)o1 885569 HWCJQGVNKLIJRX-SSEXGKCCSA-N 577.653 4.812 0 40 KJAB CCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)c12 2150547 JGXVNGFPHHCGFG-HHHXNRCGSA-N 505.592 4.988 0 40 KJAB biogenic CCOC(=O)c1c(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)sc2c1CC[C@@H](C)C2 3265054 RJPTUBDOMJXSSU-GOSISDBHSA-N 542.679 4.892 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)S(=O)(=O)c3ccc(OC)cc3)cc2c1 6196652 HTGHJCVMZMHICK-UHFFFAOYSA-N 506.624 4.677 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 8407429 ZNENVFOCSWBXAM-XQNWCSQWSA-N 696.563 4.999 0 40 KJAB O=S(=O)(c1ccc(-c2cs/c(=N\c3ccc(F)cc3)n2CCCCCCO)cc1)N1CCCC1 8606327 HHRIXZHSAXUAJX-RFBIWTDZSA-N 503.665 4.925 0 40 KJAB CCOC(=O)N1CCN2c3cc(Cl)ccc3CC3(C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)[C@H]2C1 8773734 PMPGYGALIYUMOO-RUZDIDTESA-N 559.022 4.730 0 40 KJAB COc1cccc([C@H]2CN3C(=O)CN(Cc4ccc(F)cc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)c1OC 8789171 YTQJKHPKQNNFBU-RCRUUEGKSA-N 513.569 4.556 0 40 KJAB biogenic COc1ccccc1-c1nc2c(c(SCC(=O)Nc3ccc(F)cc3)n1)Cc1c(CO)cnc(C)c1O2 9116186 WJXHSQOJNDHMRC-UHFFFAOYSA-N 518.570 4.914 0 40 KJAB O=C(NCc1ccco1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccc(F)cc3Cl)c2=O)cc1 9616660 GMAUUFVXDYUSEE-UHFFFAOYSA-N 517.944 4.575 0 40 KJAB Cc1nnc(NC(=O)CSc2nnc3c4c5c(sc4nc(Cc4ccccc4)n23)CCCC5)s1 12500054 SKHXPTPNIXHIFQ-UHFFFAOYSA-N 507.670 4.699 0 40 KJAB COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2OC)c1 13028616 ZZMIMEZQZQAINN-GDLZYMKVSA-N 527.625 4.672 0 40 KJAB CCOc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F 13029956 MLXUNCLPCVYYFO-NDEPHWFRSA-N 515.589 4.802 0 40 KJAB COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@@H]4CCCN5CCCC[C@@H]45)cc3n2)cc1OC 15276445 KOHCDUZPFFPZTD-PXNSSMCTSA-N 518.536 4.854 0 40 KJAB CCOc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 16688469 KUVZRWTXDIMPSJ-UHFFFAOYSA-N 509.455 4.951 0 40 KJAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 22233542 FXZFDWWQYRCYPY-UHFFFAOYSA-N 507.381 4.572 0 40 KJAB Cc1ccc(S(=O)(=O)[C@@H](NC(=O)COc2ccc(Cl)cc2Cl)C(Cl)(Cl)Cl)cc1 26571570 YALSQXZGLAMKRL-MRXNPFEDSA-N 505.634 4.967 0 40 KJAB COc1cc(C(=O)N[C@@H](C)c2ccccc2OC)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 59931012 FRSFWYXWGKOOOJ-KRWDZBQOSA-N 533.046 4.823 0 40 KJAB CSCC[C@@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 70665974 XLOFIBURHKEVSM-OLUZHXLYSA-N 587.786 4.681 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(Cc3ccc(OC)cc3)C2=S)cc1 97952123 YCUUIPHDMXGDHW-XMMPIXPASA-N 535.597 4.542 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C(C)C)c(OC)cc3C)c(=O)n2[C@@H]1c1cccc(OC)c1OCC 97959575 QLPFCMNVPFVCMH-ZGOFBEGVSA-N 564.704 4.646 0 40 KJAB COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)ccc1OC(=O)C[C@@H]1SC(=O)NC1=O 97986462 SMDIBZMTIKMSKW-IUGBQFMMSA-N 529.574 4.585 0 40 KJAB C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 100176796 CUMDPQZIIIQAJT-PGRDOPGGSA-N 533.741 4.722 0 40 KJAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(C)C)c(C)cc2OC)[C@H](C)C1 101032159 PUEKRAILLXPWRB-OAQYLSRUSA-N 552.759 4.651 0 40 KJAB Cc1ccccc1-n1c(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nnc1-c1ccc(C(C)(C)C)cc1 103141269 QYKMPCSSNAMXMZ-UHFFFAOYSA-N 535.695 4.918 0 40 KJAB CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)ccc1OC(C)=O 104655719 ZXORURXBWDPRLI-JLKMOJGBSA-N 552.652 4.651 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 163743705 FEYDDWJZUXSRAI-NIQJEMAJSA-N 752.368 4.875 0 40 KJAB CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)sc2c1CCCC2 215920553 KUWNENJEDGENEO-UHFFFAOYSA-N 569.543 4.747 0 40 KJAB COC(=O)c1cc2cc(NC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(Cl)cc3)ccc2s1 216071572 XBHARWJLWUOAGD-OAQYLSRUSA-N 529.039 4.870 0 40 KJAB COC(=O)c1cn(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)c2ccccc12 222608668 FUZKMMJGDZFYSR-OAHLLOKOSA-N 509.411 4.617 0 40 KJAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)NCCCNc1ccnc2cc(Cl)ccc12 222717512 ULJQJXGDFFUGHM-UHFFFAOYSA-N 543.020 4.825 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222748289 SZNHDSUSGLTSCE-HSZRJFAPSA-N 600.565 4.643 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1C 222882916 PKLUNKKGGZPVNZ-QHCPKHFHSA-N 553.700 4.970 0 40 KJAB O=C(CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)Nc1ccc(CC(=O)N2CCCC2)cc1 222895563 ZHHHYOVQNIUTOP-UHFFFAOYSA-N 531.678 4.564 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 222910574 NDHBXUQQEIEGFG-OAQYLSRUSA-N 542.101 4.651 0 40 KJAB COc1cccc(CN(C(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 223020278 WWDOMWAWSIQNKC-PMERELPUSA-N 609.789 4.662 0 40 KJAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCCCOC(C)C)cc1OC 223034980 XZPSGJOUOIOVRX-NDEPHWFRSA-N 532.681 4.818 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN1C(=O)c2cccc3cccc1c23 223074531 WLVHDBWWVZNMEH-SFHVURJKSA-N 522.443 4.896 0 40 KJAB C[C@@H](NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCC2 223176330 SHIQBOJMJZLMHY-GOSISDBHSA-N 560.457 4.853 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 223247423 VVOXNZYKSTZWPP-WOJBJXKFSA-N 574.541 4.555 0 40 KJAB CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 223444680 OVJSPUSJOVTCHT-LJAQVGFWSA-N 579.625 4.661 0 40 KJAB COCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 223445968 GGAIUEFZKWQICT-HKBQPEDESA-N 623.678 4.677 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc(F)cc1 223543926 UEEAGHNWLZCIDO-DEOSSOPVSA-N 513.407 4.743 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223617084 GAHARGFIYDZIDU-RUZDIDTESA-N 580.509 4.675 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O 223773837 KMIWSQMOUFSUKE-SSEXGKCCSA-N 579.763 4.580 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1cc(OC)cc(OC)c1 223998883 OSVKVVXFWBIANC-ZTOMLWHTSA-N 534.653 4.646 0 40 KJAB Cc1ccc(C)c(OCCNC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)c1 223998943 PUHPSGBPOWETCR-UHFFFAOYSA-N 510.700 4.732 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 224047706 OOXVLFYZMGDYSX-FQEVSTJZSA-N 552.137 4.617 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cc(C)cc(C)c2)c2ccc(C)c(Cl)c2)cc1 224062251 FEHGYSADFJMXIG-UHFFFAOYSA-N 501.048 4.964 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 224190293 JHVUADNNEOLDCJ-MUUNZHRXSA-N 535.710 4.751 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 224315496 YAGRLJJLNYWVJH-SANMLTNESA-N 596.149 4.820 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 224389141 DRKCQICQNJCUOI-DEOSSOPVSA-N 582.536 4.529 0 40 KJAB 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CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 223537351 XXKDUUPCXNRMLQ-HSZRJFAPSA-N 556.128 4.911 0 40 KJAB C[C@@H](C(=O)NCCOc1cccc2ccccc12)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 223562438 KBYKXOKVZRZJPX-HNNXBMFYSA-N 514.953 4.862 0 40 KJAB CCOc1ccccc1N(CC(=O)NCCOc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(SC)cc1 223909556 WCENSRYMHBHDTB-UHFFFAOYSA-N 528.696 4.815 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223912331 PBDKWTVAKFATNJ-NRFANRHFSA-N 632.577 4.605 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 224235984 XUAAXXXJDLGBFR-LJAQVGFWSA-N 565.736 4.841 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 224421542 QQNKQYIOHNEKIJ-RUZDIDTESA-N 620.555 4.903 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c(C)c1 224434589 NFKSZOQALITFAL-NDEPHWFRSA-N 567.727 4.763 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 224559787 AOYSYLKRYFDYAP-LJAQVGFWSA-N 565.736 4.779 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 224615356 VLFJBHSOBJYZOS-GDLZYMKVSA-N 583.726 4.918 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 224624725 AEQPYIPVBLYOAS-VWLOTQADSA-N 536.138 4.774 0 40 KJAB COc1ccc(CNC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)cc1OC 224772340 PNFYWZZLCNJQJP-UHFFFAOYSA-N 503.020 4.562 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 224799000 LYTKHICCXWGBTD-SFHVURJKSA-N 584.964 4.735 0 40 KJAB COc1cccc(N(CCCC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1 224816874 OMNRORSTMQXBID-PMERELPUSA-N 579.763 4.715 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 224955716 TZBHEKRBUMOIDI-LJAQVGFWSA-N 567.727 4.952 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 225033637 FXYAWBUZVNKOLU-JWQCQUIFSA-N 565.736 4.672 0 40 KJAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 225109778 TWKFWHAKHHFLCU-VWLOTQADSA-N 602.540 4.693 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 225417474 FOSYROVVGMHPEW-QGZVFWFLSA-N 586.007 4.857 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 225501895 DXDZSXISRQDABD-WJOKGBTCSA-N 569.727 4.885 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 225570603 MKNJMXYRLQCDCT-HYBUGGRVSA-N 566.562 4.554 0 40 KJAB C[C@@H]1C[C@@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NCc3ccc(-c4ccccc4)o3)n2)C1 225917898 NAJDOEKVTPNZRN-WOJBJXKFSA-N 506.676 4.542 0 40 KJAB CCOC(=O)C1(c2ccc(NC(=O)CN(C3CCCCC3)S(=O)(=O)c3ccc(OCC)cc3)cc2)CC1 226064164 RTUYACWPMACPOF-UHFFFAOYSA-N 528.671 4.642 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(-c4ccc(Br)cc4)o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 226260174 FGMSHBCQTMLNII-IPJJNNNSSA-N 539.304 4.822 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)c1 260767701 VHCGIYXUNHJFTC-JOCHJYFZSA-N 572.127 4.794 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1 260871238 AYBXBJVKEMRKBG-HSZRJFAPSA-N 551.709 4.531 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)c2ccc(F)cc2)cc1 260905168 WLUVCHVZXROWRZ-OAQYLSRUSA-N 573.662 4.501 0 40 KJAB Cc1cc(N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)ccc1Br 260915884 ZFAZUQCZLWXKHQ-HHHXNRCGSA-N 600.579 4.688 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 260939868 ZVYRPUHQGHASEZ-RUZDIDTESA-N 549.737 4.942 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 261071387 PTECEMQFDKHOTD-JOCHJYFZSA-N 629.751 4.769 0 40 KJAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 408602064 CDUMMUUGMCTREZ-UHFFFAOYSA-N 540.638 4.756 0 40 KJAB Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408657051 MVEXCLCDTUVBLU-CCSVULQMSA-N 548.422 4.704 0 40 KJAB CCOC(=O)Cn1c(C)c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(c2ccccc2)N=3)c2ccccc21 408814069 PUJKDSROECJZLH-LSBWKWLVSA-N 665.768 4.779 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@H]1c1cccc2ccccc12 408918774 OZPWARUJYLPYOV-HDFSHUSISA-N 578.646 4.998 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408997641 SEUNHUFYPDKDMY-MFCBUNOESA-N 623.083 4.817 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2c(F)cccc2Cl)c2ccccc2OC)cc1 409024776 NWAYXNSHHXEGGK-UHFFFAOYSA-N 553.077 4.741 0 40 KJAB COc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)S(=O)(=O)c1ccccc1 409025019 PJPPBPNONAAFHN-UHFFFAOYSA-N 543.645 4.768 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC(C)C)c2cccc(Cl)c2C)cc1 409025108 LOPVTEQXDSRZPD-UHFFFAOYSA-N 514.047 4.929 0 40 KJAB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 409026366 MXRFEARXOCQETK-UHFFFAOYSA-N 504.439 4.538 0 40 KJAB CN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)N(C)C1=S 409033953 MRVBQTLWOXRKBX-SXGWCWSVSA-N 514.214 4.959 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(I)c(OC)c(OC)c4)c(=O)n32)cc1 409081486 PPTMXZYMQUMRID-OCEWKHMESA-N 667.525 4.504 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409084646 MNDWQXVPFVMGQE-ZWTBYVTRSA-N 667.534 4.926 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1OC(C)=O 409275311 ZXSCRNKBBLFOOT-LSCVHKIXSA-N 539.791 4.711 0 40 KJAB CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1Br 409385374 IDRSIBMGOBDDFX-JAIQZWGSSA-N 593.883 4.666 0 40 KJAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCCCCCCN(C(C)=O)c4cc(CN5CCOCC5)ccc4C3)ccc21 643559678 AIEOANIAJXGNFE-UHFFFAOYSA-N 573.738 4.516 0 40 KJAB Cc1nc(N2CCC(C)CC2)ncc1C(=O)N1CCC2(CCCCc3ccccc3OCCCC(=O)NC2)CC1 643562075 NGVILWZHNKQNJT-UHFFFAOYSA-N 547.744 4.946 0 40 KJAB CCN1CCCCCCCCO[C@@H]2CN(C(=O)CCc3nc(C(C)C)no3)C[C@H]2Oc2ccccc2C1=O 643582076 KKWBKAXUCVWZEU-JWQCQUIFSA-N 526.678 4.617 0 40 KJAB COc1ccc([C@H](CC(=O)NCCN2CCOCC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 1547206337 JPOJRWFIXXNEBL-FIPFOOKPSA-N 608.732 4.559 0 40 KJAB biogenic COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 940595 WAAUJOWXIDNLHY-XMMPIXPASA-N 502.962 4.842 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 1374528 MRSVPWZYWWQCCG-SANMLTNESA-N 504.610 4.997 0 40 KJAB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 3113037 DQGDRCVLJIPSAE-DHRITJCHSA-N 541.203 4.929 0 40 KJAB Nc1ncnc2c1ncn2[C@H]1OC[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 4823518 OJBWEYYIZSCTPH-ZPFLWGEISA-N 537.620 4.694 0 40 KJAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCC(Cc2ccccc2)CC1 6149190 WZDSAGMZFRVKDF-AREMUKBSSA-N 500.647 4.712 0 40 KJAB CCc1ccc(NC(=O)Cn2c(=O)n(CCCCC(=O)NCCc3ccc(Cl)cc3)c(=O)c3ccccc32)cc1 8648286 MDQIFZUTKDTMJQ-UHFFFAOYSA-N 561.082 4.547 0 40 KJAB COc1ccc(NC(=O)[C@H](c2ccc(F)cc2)N(Cc2ccc(F)cc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 8712799 XTQRDAHLARIJMU-LJAQVGFWSA-N 569.564 4.912 0 40 KJAB CSCC[C@@H](NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O 8789076 VBFWCPMYEUWENW-UNSDHXNOSA-N 521.720 4.613 0 40 KJAB biogenic CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCN(C(C)C)C3)cc1 8881403 QOTSASKSJOSFRY-UHFFFAOYSA-N 535.732 4.754 0 40 KJAB CCS(=O)(=O)c1ncc(N(Cc2ccccc2)Cc2ccco2)c(C(=O)Nc2ccc(C)cc2C)n1 9250652 XBYCKYABOWHEJV-UHFFFAOYSA-N 504.612 4.939 0 40 KJAB COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)sc2c1CC(C)(C)NC2(C)C 9391500 VDOVVHHTMOTTRX-MRXNPFEDSA-N 533.716 4.510 0 40 KJAB Cc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccccc2Cl)cc1 11917627 BLZNWHZDDCPYHV-UHFFFAOYSA-N 511.003 4.894 0 40 KJAB COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1OC 12707798 VESPTSXRJDTKBJ-GDLZYMKVSA-N 527.625 4.672 0 40 KJAB COc1cc(/C=C2\N=C(c3ccc(Br)c(C)c3)OC2=O)cc(Br)c1OC(C)=O 16282096 PICZJIWDFOOZKI-PXNMLYILSA-N 509.150 4.798 0 40 KJAB Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc(F)cc4)CC3)cc12 19940875 BOSUZKZTLLGUCH-MHZLTWQESA-N 515.637 4.687 0 40 KJAB COc1ccc([C@H](C)NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1OC 20012765 NKFIBRNQYZORTO-QFIPXVFZSA-N 510.656 4.697 0 40 KJAB COc1ccc([C@H](C)NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 20106356 IOPQVQQEDFYDDM-SFHVURJKSA-N 503.020 4.738 0 40 KJAB CCOC(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 22277659 KPGZDNMCTAUTDL-UHFFFAOYSA-N 501.004 4.968 0 40 KJAB O=S1(=O)C[C@H]2N=C(SCc3ccc(F)cc3Cl)N(c3ccc(Br)cc3F)[C@@H]2C1 32640391 ZPEYPZHSLVQYIC-NVXWUHKLSA-N 507.809 4.656 0 40 KJAB COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cc3c(cc2C(C)=O)OCO3)cc1OC 38145831 IFRLXGCTAOYXID-HHHXNRCGSA-N 534.565 4.675 0 40 KJAB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)NCc1ccco1 59651381 AXVZNLULYFRTGT-UHFFFAOYSA-N 523.998 4.697 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)c1cccc(Br)c1 59834269 AVHQWLLOMRCNQN-XMSQKQJNSA-N 531.472 4.533 0 40 KJAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 59923545 KFBFXXVANOYFEV-UHFFFAOYSA-N 528.439 4.726 0 40 KJAB Cc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H]3c4ccccc4C(=O)N23)cc1 70701593 UGQSGSSNBLTGAU-TWLDFKIOSA-N 534.660 4.794 0 40 KJAB biogenic COc1cc(OC)cc(C(=O)Nc2cc(C(=O)Nc3cccc(C)n3)ccc2N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1 97985368 JATNLSYQFMGQOH-QPPBQGQZSA-N 579.657 4.697 0 40 KJAB CCOC(=O)Cc1nnc(NC(=O)[C@H](CC)Sc2nnc3c4ccccc4n(CCc4ccccc4)c3n2)s1 98005140 RRWIVDJQRDJMES-FQEVSTJZSA-N 561.693 4.689 0 40 KJAB COc1ccc(CCn2c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs/c2=N\c2ccc(F)cc2)cc1 100071994 CMYCTGRWAJBMSY-HYOGKJQXSA-N 553.681 4.860 0 40 KJAB CCOC(=O)C1CCN(CN2C(=O)[C@]3(SCC(=O)N3c3ccc(OCc4ccccc4)cc3)c3ccccc32)CC1 100236964 HHEFZJOCSBEGEF-JGCGQSQUSA-N 571.699 4.778 0 40 KJAB COc1cc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)c2ccco2)cc(OC)c1OC 100334658 LOOQALMURXBFJU-HHHXNRCGSA-N 550.608 4.867 0 40 KJAB CCc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2cccc(OC)c2OC)cc1 100365406 KIOIQIRFLOKSKG-LJAQVGFWSA-N 541.652 4.844 0 40 KJAB O=C(O)[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@H](c5cc(Br)ccc5OC(=O)[C@H]31)c1sc(=O)n(Cc3ccccc3)c1S[C@H]42 100849657 NVTMXDYFTKIYQZ-VTMUJGNOSA-N 570.486 4.829 0 40 KJAB CC(C)C[C@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]21 101508677 MPDMUKBWBMNURO-RHRDVFBWSA-N 558.560 4.785 0 40 KJAB O=C1[C@H]2N=NN(CC(=O)N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl 101999772 YZBRPNBNMXSBNF-PZUNEJSGSA-N 547.402 4.665 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N32)cc1Br 102545017 IMIIBNWPHCQBJX-HDLKCZAISA-N 587.426 4.656 0 40 KJAB COc1cccc([C@@H](CNC(=O)C[C@H](NC(N)=O)c2ccc(Br)cc2)c2c[nH]c3ccccc23)c1OC 102811994 LHQIKJPPJRFIAL-VWNXMTODSA-N 565.468 4.995 0 40 KJAB C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 103129711 KHQLRVBTPMQDJV-FQEVSTJZSA-N 591.715 4.957 0 40 KJAB COc1ccc(CCNC(=O)NC[C@]2(C)C[C@@H](NC(=O)NCCc3ccc(OC)c(OC)c3)CC(C)(C)C2)cc1OC 103768088 FCEZOFAYGFPOJE-NRUKRWIHSA-N 584.758 4.690 0 40 KJAB COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1 104084872 MVZPWWNOCCEWNT-UHFFFAOYSA-N 571.486 4.869 0 40 KJAB COc1cc(C(c2c(C)nn(-c3ccccc3)c2O)c2c(C)nn(-c3ccccc3)c2O)cc(OC)c1O 108423363 XHVGYFSEKVAGQG-UHFFFAOYSA-N 512.566 4.989 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 110354747 RXGSTWFQSDLIBS-USDTVRPUSA-N 572.683 4.756 0 40 KJAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(F)c(F)c4)c3)ccc2N2CCOCC2)cc1 150427415 VPYKAPOFUUZOBM-UHFFFAOYSA-N 658.705 4.664 0 40 KJAB COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cccc(C)c2N2CC(=O)c3ccccc3[C@@]12C 150442655 FRURHTOCFHWANJ-HKBQPEDESA-N 665.767 4.719 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 163273951 VMFNROWIIKITRK-CINCIDGWSA-N 640.474 4.688 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 222530295 NXAAHOLZBVNMEK-KPURRNSFSA-N 599.725 4.760 0 40 KJAB CCc1ccc(N(CCCC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 222616710 BTCWYHYMYKSRQD-HOFKKMOUSA-N 529.747 4.560 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NC)S(C)(=O)=O)cc1 222687455 LGNUJLCQNPJGMG-NDEPHWFRSA-N 614.606 4.944 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222784800 ADOYKKBDNNCYNG-SANMLTNESA-N 634.582 4.697 0 40 KJAB COc1ccc(OC)c([C@H](C)NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c1 222962939 ARUFBNOATYWYMD-SFHVURJKSA-N 503.020 4.738 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 223003149 WNRVPXBNKAUUCA-KRWDZBQOSA-N 542.529 4.654 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 223064031 ZSBYKJHKCKKIAP-GOSISDBHSA-N 610.933 4.990 0 40 KJAB CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 223115678 LITOXWUOUGRPGD-QHCPKHFHSA-N 583.726 4.794 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 223198630 NRJLZXGKCQMPBU-RUZDIDTESA-N 576.546 4.844 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 223309114 QZOPEIXEAJBGQV-SANMLTNESA-N 592.545 4.892 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 223432867 ZNWMAFZWBRXLMJ-RUZDIDTESA-N 565.736 4.841 0 40 KJAB COc1ccc(CNC(=O)[C@H](c2ccccc2)N(Cc2ccc(F)cc2)C(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 223442779 CTXAEVOFXMIXFD-YTTGMZPUSA-N 603.716 4.682 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223447729 NIMMRMUHBHCZOD-GDLZYMKVSA-N 567.727 4.765 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223542025 NMSJXSZJYAHJFE-MHZLTWQESA-N 658.615 4.543 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 223616877 REEQBLAXBJKDAO-MHZLTWQESA-N 565.736 4.923 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 223738281 VWLCJADYUINNLS-FQEVSTJZSA-N 546.064 4.536 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 223742437 SAVLQLOJWCBTMD-MGBGTMOVSA-N 629.779 4.984 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 223778886 RIGMEGPYCHPQFO-HXUWFJFHSA-N 546.064 4.536 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 223785949 MUUUGSOLFDTZSA-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 223854625 XWWVEEORYVQOSW-QHCPKHFHSA-N 569.699 4.672 0 40 KJAB Cc1ccc(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 223859754 DBZRPSPHJQEGQR-NRFANRHFSA-N 534.122 4.671 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223862030 VONAEUVATJEUDI-INIZCTEOSA-N 578.946 4.755 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 224257083 OAMQKZPNRFHYBN-INIZCTEOSA-N 582.472 4.968 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 224357268 JEJGTPMAVCIBML-DEOSSOPVSA-N 546.064 4.618 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 224401588 AXCRLTIWUMEVNK-SANMLTNESA-N 574.118 4.800 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN1C(=O)c2ccccc2C1=O 224416063 ODSKWDKBXVBDOX-HHHXNRCGSA-N 543.639 4.757 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 224533827 WFARISLOZNADBZ-LJAQVGFWSA-N 623.772 4.774 0 40 KJAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 224603325 QZWLTJWAGHEHLB-HHHXNRCGSA-N 600.579 4.939 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 224768908 MSJKKCDOHWCUEE-XMMPIXPASA-N 540.101 4.605 0 40 KJAB CC(C)(C)c1ccc(OCCNC(=O)CCCN(c2ccccc2C(F)(F)F)S(C)(=O)=O)cc1 224782849 PJKMQSMTWFUZKV-UHFFFAOYSA-N 500.583 4.744 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 224830448 AMJMARDQPCTXJL-OAQYLSRUSA-N 539.673 4.611 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 224890172 DQOLKHFMHYJAOD-KRWDZBQOSA-N 558.503 4.765 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224927235 IADONMBLUINARB-NDEPHWFRSA-N 671.813 4.505 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225035723 SVAHZYLBKTWTOQ-NHCUHLMSSA-N 552.137 4.535 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 225316729 DWRRTHIPBNTKMQ-HSZRJFAPSA-N 542.529 4.710 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 225464241 LUJDNEIXPPRTHQ-SHQCIBLASA-N 565.736 4.921 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225511227 QBCDZTCQRNSDRB-PXDATVDWSA-N 566.164 4.925 0 40 KJAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 225567494 BQVRKKZSDQMULQ-IBGZPJMESA-N 528.074 4.724 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225718561 KFLKMHRQQRBTOZ-KSFYIVLOSA-N 562.947 4.989 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 225752447 ONFZMBLNSMPPHR-QDPGVEIFSA-N 551.709 4.613 0 40 KJAB S=C(NCC1(c2ccccc2)CCOCC1)Nc1nc(Sc2ncccn2)cc(N2Cc3ccccc3C2)n1 225994014 BJGHRHQNQMGCMT-UHFFFAOYSA-N 555.733 4.973 0 40 KJAB O=C(NCCc1ccccc1)[C@@H]1CN(C(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c2ccccc2O1 226016736 LGHAEUPRODHCQH-PMERELPUSA-N 648.579 4.793 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)Cc2ccccc2Cl)cc1 226030797 LLAITMPEQREYRT-UHFFFAOYSA-N 556.113 4.533 0 40 KJAB COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2N=N[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)cc1 245237534 MNJMXAATCRDCLC-SHSRKSKBSA-N 558.598 4.520 0 40 KJAB CC[C@@H](C(=O)N1CCC[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CCN(C)CC2)C1)c1ccccc1 257252808 JWESSJXMTBRIIV-GGXMVOPNSA-N 512.094 4.686 0 40 KJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@](COc2ccc(F)cc2)(CC(=O)N2CCN(C)CC2)C1 257317333 VJIUGGKCMCVZKS-PMERELPUSA-N 569.077 4.908 0 40 KJAB Cc1ccccc1S(=O)(=O)N1CCC[C@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 257317763 VLAVSUUCNIMHPV-SANMLTNESA-N 505.080 4.901 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 260776231 JQBFMEYTPGWZHB-HSZRJFAPSA-N 581.735 4.540 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1Cl 260946137 UDCVXOXKZIDATI-GOSISDBHSA-N 614.990 4.743 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 261037192 KDIMQTLMDQDHAT-GOTSBHOMSA-N 569.699 4.670 0 40 KJAB Cc1ccc(C)c(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 261046899 LHJGVFOFRCQOJM-OAQYLSRUSA-N 580.589 4.944 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl 261058303 NIYSFHVWSFXWBN-HHHXNRCGSA-N 600.181 4.978 0 40 KJAB O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408590456 GXKUQUISYJDMBQ-XMMPIXPASA-N 596.469 4.706 0 40 KJAB CC(C)COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1Br 408601290 JPCMLLUDKGFDCN-HZHRSRAPSA-N 558.498 4.869 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4c(F)cccc4Cl)CC3)cc2)cc1 408678283 IFVLVYVRLTUFEX-UHFFFAOYSA-N 580.103 4.769 0 40 KJAB Cc1c(Br)ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)c2)c1C 408684373 JTXLIHGUGMMOHT-VHKYSDTDSA-N 527.415 4.787 0 40 KJAB CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1C(=O)N1CCCCCC1 408714754 NNAORERVKCAVIN-UHFFFAOYSA-N 565.783 4.790 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408831109 PPRYDEXBDBRTLO-XSZPGNIMSA-N 615.546 4.755 0 40 KJAB CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC 408922257 CWGGJMRDOKSHPD-OXWVMCNISA-N 557.647 4.810 0 40 KJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(s/c(=C\c3cccc(Br)c3)c2=O)=N1 408972415 SZILTGNLJUUWSP-FOOJEKODSA-N 530.447 4.636 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4ncccn4)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409095293 HCSYEOWMINBJKO-XYOMFLGSSA-N 610.717 4.869 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OC(C)C)cc4C)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 409120066 UVPNGKPRZIPOAI-FHQMNNMHSA-N 614.676 4.661 0 40 KJAB COCCNC(=O)Cn1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c2cc(Br)ccc21 409134067 OOVYNUMFLWXKFL-FBHDLOMBSA-N 546.418 4.542 0 40 KJAB CC(C)c1cc(I)ccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2)n1C 409147971 NXHGHSTWTTUCQR-OAHLLOKOSA-N 563.465 4.765 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)cc(OC)c1OC 409201926 RDEPXHUNPMCPBP-CAOOACKPSA-N 541.807 4.803 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)ccc1OCc1ccccc1F 409244774 INAXGWWWNLFXES-BUVRLJJBSA-N 517.557 4.897 0 40 KJAB COc1ccc(NCc2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 409257524 SJAPVZOUHWPNGL-UHFFFAOYSA-N 518.351 4.938 0 40 KJAB COc1c(I)cc(I)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O 409259818 FZXROTRTMGNASB-WLRTZDKTSA-N 674.176 4.997 0 40 KJAB Cn1nnnc1SCC(=O)Nc1ccc2nc(SCC(=O)NC(c3ccccc3)c3ccccc3)sc2c1 409331378 CABBJWFYCAWUPO-UHFFFAOYSA-N 561.718 4.549 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2)c2ccc(F)cc2)cc1 409380253 ALJSSYUMUOOXFP-UHFFFAOYSA-N 507.381 4.821 0 40 KJAB CC(=O)N1CCCN(C(C)C)CCN(C(=O)Cc2cc(Cl)c3c(c2)OCCCO3)Cc2ccc(F)cc21 643558100 IZBCDJBZWVQOQS-UHFFFAOYSA-N 532.056 4.679 0 40 KJAB CCOc1ccccc1CN1CCCN(C(C)=O)c2ccccc2CN(C(=O)Cn2c(COC)nc3ccccc32)CC1 643560132 LERLMXVNZURSCD-UHFFFAOYSA-N 583.733 4.869 0 40 KJAB Cc1ccc(N2C[C@@H](C(=O)NCCN3CCC4(CCCCCc5ccccc5OCCNC4=O)CC3)CC2=O)cc1Cl 643561567 SESYSSKVZNMEQJ-SANMLTNESA-N 595.184 4.511 0 40 KJAB COc1cccc(Nc2ncccc2C(=O)N2CCC3(CCCCNC(=O)c4ccccc4OC[C@@H](C)NC3=O)CC2)c1 2037895385 AMALSFPOVVLSTJ-HSZRJFAPSA-N 585.705 4.554 0 40 KJAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(=O)Nc2ccc(C(=O)OC)cc2)C1 644103 AKJWQLNPUDIWGC-UHFFFAOYSA-N 525.558 4.693 0 40 KJAB COc1ccc(C(=O)Cc2nc3nnc(NC(=O)Nc4ccc(Cl)cc4)n3nc2CC(=O)c2ccc(OC)cc2)cc1 1592560 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CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Br)cc3)cc2Cl)CC1 59331713 UOSSYPSBFIZOJR-UHFFFAOYSA-N 523.884 4.678 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc3ccccc3c2)c2ccc(C)cc2)cc1 59471905 JUNYBSWQIPDXPC-UHFFFAOYSA-N 518.635 4.937 0 40 KJAB COc1cc(C(=O)Nc2cccc(Br)c2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC 59931077 KWJJHUVUODNRAR-UHFFFAOYSA-N 537.407 4.824 0 40 KJAB CN(C)c1ccc(C(=O)N2CC[C@@H](CC(=O)O)[C@@H](CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cc1 67878663 XCZTVYXOQZKSMA-GOTSBHOMSA-N 546.634 4.537 0 40 KJAB biogenic,in-vitro CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)NCCc1ccc(OC)cc1 70705803 QVEMDDRWOULVAQ-SFHBZOCZSA-N 564.686 4.536 0 40 KJAB biogenic O=C1[C@H]2N=NN(CC(=O)N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)[C@@H]2C(=O)N1c1cccc2ccccc12 98042753 PVXDJLRZJUVMAK-FGUUHEIUSA-N 528.572 4.511 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2)c2ccc(C)cc2)cc1Br 100077023 CKJNMXYIKMUXLD-UHFFFAOYSA-N 531.472 4.710 0 40 KJAB C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 100176790 CUMDPQZIIIQAJT-XMSQKQJNSA-N 533.741 4.722 0 40 KJAB COC(=O)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 100947316 OAADHYGJFIIXES-PMERELPUSA-N 560.610 4.996 0 40 KJAB O=C1[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1c1ccc(F)c(Cl)c1 101326461 SMTMSRNLNMFOFB-DFIMXKNXSA-N 549.389 4.782 0 40 KJAB CC(=O)Oc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1 101590028 FLGOUJZMAHKHJV-QEGGNFSNSA-N 512.949 4.664 0 40 KJAB CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCCc3ccccc3)C(=O)N12)C(=O)Nc1ccc2c(c1)OCO2 102745623 IOSKSKWTEJYRBY-SQHAQQRYSA-N 597.697 4.663 0 40 KJAB COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)c1 102996912 LSPJEWUSYCSUCN-XMMPIXPASA-N 544.073 4.725 0 40 KJAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]([C@@H]1CC=CCC1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 103590296 PACWXONONFVQNP-NLGDKJDOSA-N 582.680 4.799 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 111465548 HWIYIZCKIRSCIX-VEOZPNHKSA-N 605.510 4.715 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 111470701 DDRFMMJQHWULAF-UXAZKMGBSA-N 526.683 4.966 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 140104268 QMDNJYYKYYWVDW-UHFFFAOYSA-N 535.666 4.818 0 40 KJAB O=C(Nc1ccc(OC(F)(F)C(F)F)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 150480898 UWLZZGIQTYKVFP-UHFFFAOYSA-N 698.717 4.997 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 222745768 APINNIIHJXXWBY-OAQYLSRUSA-N 548.920 4.599 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 222863155 HJODICIGMKYLEZ-SSEXGKCCSA-N 697.595 4.881 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 222952097 UTWREGVJPWZBEI-VWLOTQADSA-N 535.710 4.832 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 223058440 FTOITBNYHITXRE-QFIPXVFZSA-N 586.552 4.815 0 40 KJAB COCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 223158729 VTTHRCWWIKBKIJ-WJOKGBTCSA-N 637.705 4.547 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1 223164823 SNPSHKINBQDYLX-SSEXGKCCSA-N 591.705 4.606 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 223192270 LNJFCCRNJFXMKP-LEWJYISDSA-N 566.562 4.636 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 223230995 ASMNOUSALXQGDA-LJQANCHMSA-N 542.529 4.873 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 223299974 PKIPPOWRKOIKJE-RUZDIDTESA-N 529.747 4.880 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 223654706 AXEDJXSXXSQEBM-SANMLTNESA-N 622.571 4.553 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223680465 HBUZKNCCQJKALL-NDEPHWFRSA-N 565.736 4.655 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cccc(C)c2C)c2ccc(Cl)cc2C)cc1 223908334 OAFFEEDTUIIVTM-UHFFFAOYSA-N 501.048 4.964 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223951639 XBYHMGFYHMURDD-NDEPHWFRSA-N 611.761 4.631 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Br)cc1 224027930 CZTZOLAFKQMLEB-OAQYLSRUSA-N 632.577 4.605 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 224035665 CQUBUEZYFQJZLR-GDLZYMKVSA-N 549.737 4.957 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 224037812 XTHIIRPTYIBTFI-MHZLTWQESA-N 556.128 4.581 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 224104210 OQICRHMGGUSTJB-GDLZYMKVSA-N 549.737 4.562 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 224128441 IYPUVISTXSCXTL-MUUNZHRXSA-N 570.155 4.889 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1OCC)S(C)(=O)=O 224365030 POSWXAVMWHHIFI-LJAQVGFWSA-N 597.753 4.937 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 224671860 OGJRFDIPVGPZCR-QFIPXVFZSA-N 586.552 4.896 0 40 KJAB Cc1cc(I)ccc1N(Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1)S(C)(=O)=O 224837152 GQHDXUSGDQWCSY-UHFFFAOYSA-N 566.436 4.677 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 224886537 GRCLAFILISFMQF-LJAQVGFWSA-N 625.788 4.796 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c2ccccc2F)cc1 225137713 KVQFDHJJFJOLHF-UHFFFAOYSA-N 513.616 4.925 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 225139339 NIGCNXUDLLSVHA-FGZHOGPDSA-N 572.127 4.876 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 225154091 LUTXOUZFFYTZOB-QFIPXVFZSA-N 602.153 4.886 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225187800 DTVKQEZZSPMILZ-JKSUJKDBSA-N 548.920 4.745 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2cccnc2)cc1Cl 225238199 IZKCGXDXUMKXIU-CLJLJLNGSA-N 533.057 4.742 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 225323133 MEVIYSFZMVAQEM-MUUNZHRXSA-N 570.155 4.971 0 40 KJAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)O)o2)ccc1NS(C)(=O)=O 225464697 HHTBNATWAFKJSH-LOSJGSFVSA-N 548.646 4.897 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 225485735 KODQUEBVZOXIEX-LJAQVGFWSA-N 597.753 4.937 0 40 KJAB O=C(Nc1nnc(SCc2ccccc2)s1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 225557848 QWVXYHISMHVOPK-MRXNPFEDSA-N 509.078 4.523 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 225655237 URZGMGDLOCXHKI-RBTNQOKQSA-N 587.689 4.891 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NCC(C)C)c2ccccc2)cc1 225717924 VGTXVMRIRAIUMZ-QFIPXVFZSA-N 616.578 4.843 0 40 KJAB CCN(c1ccc2sc(C(=O)N3C[C@@H](C(=O)OC)Oc4ccccc43)cc2c1)S(=O)(=O)c1ccc(OC)cc1 225856059 IKRHAHVXRXDXOL-DEOSSOPVSA-N 566.657 4.706 0 40 KJAB COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)ccc1OC(=O)/C=C1\SC(=O)NC1=O 226478783 HITLFAQLNNCSBR-HXVLPBTFSA-N 527.558 4.710 0 40 KJAB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC(=O)[C@]12C)[C@]1(C)CC[C@H](OC(C)=O)C[C@@H]1C[C@H]3OC(C)=O 253614030 GVIZCQOBODPSLY-ZPMBZGCMSA-N 504.664 4.887 0 40 KJAB CC(C)c1ccc(N[C@H]2CC[C@@H](C(=O)N(CC(=O)O)Cc3ccc4c(c3)CC(C)(C)O4)CC[C@@H]2O)cc1 257279699 OHTXQPJDNFYNHX-RZFJZAQRSA-N 508.659 4.969 0 40 KJAB C[C@@]1(CCC(=O)O)Oc2c(O)cccc2[C@@H]2OCC3(CCN(C(=O)Cc4ccc5c(c4)CCC5)CC3)C[C@H]21 257280882 OMUAEVDEIVFQGV-HZXVKSMZSA-N 519.638 4.826 0 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Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 408712346 PQHWEBATSMQIMY-UHFFFAOYSA-N 543.711 4.806 0 40 KJAB CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OCC 408775585 IWZMVSUXTKLEEO-MHTHAWLDSA-N 658.798 4.998 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCC(N(C)C)CC4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408776185 NBIKCTPQGYOXQM-LULHQEEUSA-N 617.171 4.712 0 40 KJAB CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)Nc1ccccc1)=C(C)N=2 408819695 RGHPXPNIHLGRLF-YNMQQHPQSA-N 620.127 4.952 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 408830559 SEVSBWQNJQNXDH-GCPBHNERSA-N 627.502 4.730 0 40 KJAB CCOc1cc(/C=C2/N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 408844369 NUZIXMJAGJEPGB-RGVLZGJSSA-N 593.585 4.701 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 408923034 ILLWDHFUHAGEOM-UHFFFAOYSA-N 565.673 4.638 0 40 KJAB CCOC(=O)COc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC 408946353 MJLNBWOGQHOVNV-FWESEHMYSA-N 662.164 4.877 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c2=O)=N1 409023613 ZNGYMJCQYVEJMP-HTLDOHBKSA-N 608.720 4.731 0 40 KJAB O=C(COc1ccc(N2C[C@H](C(=O)NCc3ccc(Cl)cc3)CC2=O)cc1)Nc1ccc(Br)cc1F 409127552 NXEJSGCJGRBPQU-QGZVFWFLSA-N 574.834 4.928 0 40 KJAB Cc1c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)c2ccccc2n1C 409330322 LBSSVOLKHGDAIH-ODLFYWEKSA-N 531.375 4.766 0 40 KJAB CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C 409349012 QIADVXWIAXUUKY-OAQYLSRUSA-N 530.050 4.596 0 40 KJAB Cn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1ccc(Br)c(Cl)c1 409357502 IOXGLTQHXWHKCH-RMKNXTFCSA-N 555.285 4.945 0 40 KJAB CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 409410191 KXCPIUYMGPUIJW-UHFFFAOYSA-N 527.618 4.588 0 40 KJAB COc1cccc(CCc2nc(N3CCc4ccccc4CC3)ncc2C(=O)NS(=O)(=O)c2cccc(Cl)c2)c1 585265393 KEKBMFOHLOTOFT-UHFFFAOYSA-N 577.106 4.648 0 40 KJAB Cc1cc(OC(C)(C)C(=O)N2CCO[C@]3(CCCCc4ccccc4OCCN(C)C3=O)C2)ccc1Cl 643557188 QWDZDRYSQBVFIJ-GDLZYMKVSA-N 529.077 4.667 0 40 KJAB CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1 1560410238 WCXWSAXPLAAEJA-FQEVSTJZSA-N 573.983 4.828 0 40 KJAB COc1ccc(Cc2nn3c(=O)/c(=C/c4cn(-c5ccccc5)nc4-c4ccc5ccccc5c4)sc3nc2=O)cc1 1879281 DFSJWRAEBQUKGX-CEUNXORHSA-N 569.646 4.664 0 40 KJAB CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1 2093289 WHFPWPURCDHWME-VWLOTQADSA-N 521.591 4.830 0 40 KJAB biogenic COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1 2636850 FLKFZTDEYCMDIJ-UHFFFAOYSA-N 534.663 4.866 0 40 KJAB CC(=O)N(c1ccc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)c2ccccc12)S(=O)(=O)c1ccc(C)cc1 3184965 LOWIDMDQUVLIMT-UHFFFAOYSA-N 550.658 4.940 0 40 KJAB Cc1cc(C)c(-c2cc(NC(=O)CSc3nnc(-c4cccnc4)n3N)n(-c3ccccc3)n2)cc1C 3336176 MFJACSWCNBNPOY-UHFFFAOYSA-N 510.627 4.563 0 40 KJAB CC(C)Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCCC(=O)OCc2ccccc2)cc1 8740051 JDCOKCPWKMACEM-OOAXWGSJSA-N 500.595 4.885 0 40 KJAB biogenic CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)C2)CC1 8766661 BGMXTKKUHWUVLH-OAQYLSRUSA-N 522.045 4.867 0 40 KJAB COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)c1 9346428 LQOZLPOWRIIDBC-ZRBLBEILSA-N 509.356 4.517 0 40 KJAB CC(=O)C1=NO[C@H](CN(N(C)c2ncc(C(F)(F)F)cc2Cl)S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 12351527 KYUGGLBTNUGZEM-AWEZNQCLSA-N 558.888 4.549 0 40 KJAB Cc1nc(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c2cc(-c3ccccc3)sc2n1 12936127 OKRVCYSKNZZTQF-LJQANCHMSA-N 501.699 4.717 0 40 KJAB COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)c1OC 13026013 XIZODHKZULJOLT-VWLOTQADSA-N 506.555 4.515 0 40 KJAB CCOC(=O)N1CCc2c(sc(NC(=O)CN3CCC[C@H](C)C3)c2C(=O)Nc2cccc(Cl)c2)C1 15946152 IXCCBQWCZCBQHE-INIZCTEOSA-N 519.067 4.839 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc(F)cc4)CC3)cc2c1 19940703 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CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3ccc(OC)cc3)C2)cc1 97963902 SCZOWIKQNDLMGE-XMMPIXPASA-N 534.059 4.650 0 40 KJAB CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 97981474 KPXDVLDLGZQTLI-UHFFFAOYSA-N 535.666 4.694 0 40 KJAB CCOC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)CC)c2cccs2)cc1 100367844 VHQJHZOOSRBDAH-RUZDIDTESA-N 533.654 4.749 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 100604123 NYBOKZYYFXFYIT-POKSHJSXSA-N 590.705 4.968 0 40 KJAB COc1ccc(C(=O)N/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(=O)NC[C@@H]2CCCO2)cc1 100820223 ICXRYZGPSCYJOO-ZNBSHBAVSA-N 540.595 4.753 0 40 KJAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(c6ccc(Cl)cc6)C(=O)[C@H]45)[C@@H]32)cc1 100922215 WXYLWLJAXWRNRI-KXUZYRSSSA-N 525.051 4.776 0 40 KJAB CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(Br)c(O)c(OC)c4)[C@H]3C2=O)cc1 101237973 HOPXOLNOZVTPEY-GPXNEJASSA-N 523.383 4.777 0 40 KJAB CC(C)C[C@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 101495863 GCSFJKUUFZLWCQ-RFFSZZMTSA-N 569.459 4.529 0 40 KJAB COc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc1 103160552 XACVTFMMJJSWFJ-PKXQUSJVSA-N 571.037 4.637 0 40 KJAB CCOC(=O)C1CCN(C(=O)CSc2nnc(COc3ccccc3F)n2[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)CC1 108823587 XKGQIZIIMDQNSS-BLKABHOGSA-N 544.693 4.887 0 40 KJAB CCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1 108997021 ITHATOTUVIPAAE-DLBLZJNESA-N 511.043 4.629 0 40 KJAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 123293144 STCPMHAACLYIJG-QIXZANHSSA-N 506.680 4.982 0 40 KJAB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4cccc(I)c4)c(=O)n31)c1ccccc1CC2 142866199 RXBIQVXTAKQVKR-GTWFGUSFSA-N 576.459 4.932 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 222757115 VERORMRJZIGONA-DEOSSOPVSA-N 565.736 4.839 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 222931783 WRTMSPVNANFLEX-QHCPKHFHSA-N 556.556 4.914 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 222933521 AJSNSYIYCBPHMD-SANMLTNESA-N 542.101 4.706 0 40 KJAB O=C(NCc1ccco1)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223038773 KEYCLMJGUXPWRT-WJOKGBTCSA-N 585.726 4.609 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 223071302 NBWCPMLCNLVJAA-DEOSSOPVSA-N 641.787 4.558 0 40 KJAB COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)N(Cc2ccc(Cl)cc2)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC 223080323 BNTKTMGMTWJOEN-UMSFTDKQSA-N 736.287 4.756 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O 223233539 MQXPMQTUCMQFOE-OAQYLSRUSA-N 536.138 4.782 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223246359 FKMLIJMJOJYHKV-DEOSSOPVSA-N 608.544 4.759 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 223345157 UWNBEICIQFVMRC-IBGZPJMESA-N 542.529 4.710 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O 223345596 QHENDAQZKMPPMK-SFHVURJKSA-N 542.529 4.655 0 40 KJAB COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)cc1OC 223394331 SJBYNFUGBPAXJP-IRPSRAIASA-N 537.056 4.965 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 223427681 BEXMDVBRPFYODJ-RUZDIDTESA-N 580.509 4.675 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 223451184 NSMCYCFYSBIPCZ-QHCPKHFHSA-N 599.725 4.762 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223491731 YWRMTZARRNUUQB-DEOSSOPVSA-N 641.787 4.640 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 223603958 SEWKRYFQPFQCGY-JOCHJYFZSA-N 586.552 4.815 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223636264 WPZBFAPIRVJWEG-HHHXNRCGSA-N 611.761 4.630 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 223742163 SWXRLIMELARORN-OAQYLSRUSA-N 519.667 4.605 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 223786548 CURKZNRDZCQVPG-RUZDIDTESA-N 536.138 4.918 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 223789134 IZUJDQXMMWCJDD-RUZDIDTESA-N 552.137 4.619 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 223810419 UQYHMTLEDPPNMV-AREMUKBSSA-N 557.663 4.884 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 223952275 SANZYMKVCPDQSU-NRFANRHFSA-N 602.551 4.597 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 224101606 WFRVRGPYNSUITO-HNNXBMFYSA-N 593.371 4.854 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224156748 GWNONRWPONGYPX-MUUNZHRXSA-N 595.762 4.768 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 224285464 UWFRUELXLPETPZ-AREMUKBSSA-N 558.100 4.842 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1C 224326499 SENPYPRNBGEKPA-IBGZPJMESA-N 542.529 4.566 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 224672065 ORRUDTBQGAYNCZ-NRFANRHFSA-N 534.122 4.752 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 224721975 SJAJVLZFCRCONQ-DEOSSOPVSA-N 551.709 4.533 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 224886995 GACUJWBKELNESQ-GDLZYMKVSA-N 583.726 4.918 0 40 KJAB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 224888290 CVBGFXFGVHXIEN-HHHXNRCGSA-N 594.133 4.574 0 40 KJAB COc1ccc(CN(C(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)cc1 224975243 BXFAIZFXJRQPKG-DEOSSOPVSA-N 557.757 4.724 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 224993210 QAJCUHJNOBGYGI-RUZDIDTESA-N 605.757 4.562 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 225017955 HMBIEJNYMGGTGT-LOSJGSFVSA-N 535.710 4.831 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 225061341 KCSVRJWIODMTEX-JWQCQUIFSA-N 535.710 4.831 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 225248877 NPAVRROQRFZDHJ-XMMPIXPASA-N 522.111 4.528 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 225525385 BZHVXUGXMZLSRX-WJOKGBTCSA-N 569.727 4.885 0 40 KJAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 225557091 YOPCUPKEIDJALP-LJQANCHMSA-N 531.078 4.747 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](CC)C(=O)NC(C)C)c2ccc(C)cc2)cc1 225708707 RVADTKYWMZATJO-LJAQVGFWSA-N 565.736 4.921 0 40 KJAB NC(=O)Cc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1 226039375 SSOZFJOQJXFRGA-UHFFFAOYSA-N 585.307 4.613 0 40 KJAB CCC1=C[C@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 252515030 GBABOYUKABKIAF-WIPKSZAFSA-N 778.947 4.754 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)cc1 260769046 GHELSTXKEGMDHY-HSZRJFAPSA-N 535.710 4.780 0 40 KJAB Cc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 260804797 PYWBTNBQTCLYJK-XMMPIXPASA-N 565.711 4.848 0 40 KJAB Cc1ccc(C)c(N(CCCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 260821422 XXVVVXJTNHMCPR-XMMPIXPASA-N 527.731 4.634 0 40 KJAB Cc1cccc(C)c1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 260927558 AMLHPPCJWNADIG-OAQYLSRUSA-N 534.122 4.589 0 40 KJAB CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl 408595913 WBHHBSCBGXLDGU-UHFFFAOYSA-N 501.004 4.898 0 40 KJAB O=C(Oc1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408642661 PJBAIIIAAVAVFR-NIKGAXFTSA-N 501.366 4.632 0 40 KJAB CCOC(=O)Cn1c(C)c(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)c2ccccc21 408814872 GPLVVDZVQTYIEA-JESJEVRBSA-N 680.783 4.726 0 40 KJAB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(Br)c(OCC(=O)O)c(OC)c2)C1=O 408871003 WVJJMZAYUTWDTQ-IDUWFGFVSA-N 619.368 4.624 0 40 KJAB CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc(Cl)c1OC 408919778 CGYOJQRAXMTVRN-YMSBRDKKSA-N 573.136 4.969 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(I)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408990463 WBEQQWJVEFEURS-SCFJIEIRSA-N 616.864 4.787 0 40 KJAB CCc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 409006028 LEOBBZXLVXSGDK-UHFFFAOYSA-N 501.446 4.884 0 40 KJAB C[C@H](C(=O)Nc1ccc(I)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409026208 IZUZTHVFOVKBTP-MRXNPFEDSA-N 536.391 4.877 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C)cc4)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409030543 DVGJRLFTVQBYRJ-VEOKEAFVSA-N 656.757 4.636 0 40 KJAB CCOc1cc(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=S)N2CC(=O)OC)cc(I)c1OCC 409056285 CESDCGVWFJLYLR-MOSHPQCFSA-N 594.471 4.799 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409079134 KBSWFNJFZKNNFJ-NCBZSOBPSA-N 642.355 4.981 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)o3)c(=O)n2[C@H]1c1cccs1 409099659 SPDZTMSXHLQDCD-JLNBVAMESA-N 602.719 4.545 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1ccc(OC)cc1OC)S(=O)(=O)c1ccc(Cl)cc1 409135880 QYXCKUXXOSMFRR-UHFFFAOYSA-N 504.992 4.590 0 40 KJAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(I)c1OCc1cccc(C)c1 409209861 JMPJEDFRTKXKQH-WSDLNYQXSA-N 615.399 4.858 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409409259 GNGYYLIWWCOYAZ-UHFFFAOYSA-N 600.788 4.816 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N3CCN(Cc4nc(O)c5ccccc5n4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 524731516 AMZNAPTVILOTES-HKBQPEDESA-N 724.859 4.829 0 40 KJAB biogenic Cn1c(=O)c2c(nc3n(-c4ccc(Oc5ccccc5)cc4)c(-c4ccc(Br)cc4)cn23)n(C)c1=O 710687 OMVQFKQHETYQJS-UHFFFAOYSA-N 542.393 4.897 0 40 KJAB biogenic COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)cc1 1419167 CEDHHTOJFASSLR-PMERELPUSA-N 549.587 4.577 0 40 KJAB CCOc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(Cl)cc3)c3cc(OC)c(OC)cc3c2=O)cc1 2693441 GIMCTVFPXAPFHP-UHFFFAOYSA-N 520.969 4.941 0 40 KJAB COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc(OC)c1OC 3656060 IKXUHFBNQDOKOB-RUZDIDTESA-N 515.518 4.601 0 40 KJAB Cn1c2ccc(Br)cc2c2nnc(SCC(=O)Nc3ccc(Br)cc3)nc21 8426091 MPZDYCPUDGLIDP-UHFFFAOYSA-N 507.211 4.772 0 40 KJAB O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)c(Cl)c2)C1=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O 8685386 XWRRJJRBCFNCDY-UUYOSTAYSA-N 581.437 4.651 0 40 KJAB O=C(NCc1nnc(SCC(=O)N2CCCc3ccccc32)n1-c1cccc(Cl)c1)c1ccccc1 9368960 YROGYAYCBHCWSI-UHFFFAOYSA-N 518.042 4.922 0 40 KJAB COc1cccc(CN2c3ccccc3-c3nc(SCC(=O)Nc4ccccc4)ncc3S2(=O)=O)c1 9940295 USGIKWKZNDDWLW-UHFFFAOYSA-N 518.620 4.592 0 40 KJAB CCCc1c(C)c2ccc(OC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)cc2oc1=O 11866759 RYFBTZBYSMKTEU-SANMLTNESA-N 519.619 4.858 0 40 KJAB COC(=O)c1cc2cc(NC(=O)COc3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)ccc2s1 19937886 GORVGXVVQHEKGN-UHFFFAOYSA-N 510.593 4.531 0 40 KJAB COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N(CCc1ccccc1)Cc1ccccc1 20083615 PEAYRXDQTQSAJL-LJAQVGFWSA-N 522.653 4.612 0 40 KJAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2cccc(Br)c2)CC1 21577456 MFVYYZZZLIFXOR-UHFFFAOYSA-N 523.884 4.678 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 59647125 YIODBIXDGUYJMF-UHFFFAOYSA-N 573.671 4.776 0 40 KJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 59884612 FUCKMDDXYPKFKS-UHFFFAOYSA-N 583.663 4.778 0 40 KJAB CC(C)COc1ccccc1NC(=O)[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]12 70671886 KAYVBPVBAUIMSN-IUSCBXDMSA-N 501.620 4.905 0 40 KJAB biogenic CC(=O)Nc1ccc(OC[C@H](O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 95117098 XZSKKZKPNZLTLO-OAQYLSRUSA-N 509.411 4.587 0 40 KJAB COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2-c2cccc(C(F)(F)F)c2)cc1 97961505 TYDLJPGKYTWRKS-UHFFFAOYSA-N 541.555 4.956 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)[C@@H](c3nnnn3Cc3ccc(OC)cc3)C(C)C)cc2c1 100387963 BYQFQUUAJYSGLN-MUUNZHRXSA-N 542.640 4.963 0 40 KJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 101142896 JLXVOHCEACNGOK-KIHHCIJBSA-N 521.470 4.999 0 40 KJAB CC(=O)N1C=CN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 103550235 GHVFISLXKPKRQU-OZXSUGGESA-N 529.424 4.677 0 40 KJAB in-vitro O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 138038430 ZCXXUEHMDPRKLK-YCAMKHIRSA-N 514.379 4.603 0 40 KJAB 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CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1)c1cc(Cl)ccc1Oc1ccccc1 224871820 DYVIRYPSEXGTFT-UHFFFAOYSA-N 503.020 4.874 0 40 KJAB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 224911891 GJYJSDMSZGPEFL-NDEPHWFRSA-N 608.160 4.964 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 225111935 IVJUQAYSPVOPQS-AREMUKBSSA-N 527.731 4.634 0 40 KJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225184117 DKETVIHVRNLHJG-XMMPIXPASA-N 554.540 4.870 0 40 KJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 225184439 CQDQLGCJSJLGDM-GOSISDBHSA-N 629.415 4.844 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225295802 ZXUXVSKEAUUANK-ROKPMTFOSA-N 548.511 4.891 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225354060 YTMBWBSACMNSFG-MUUNZHRXSA-N 600.181 4.979 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Br)cc1Cl 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0 40 KJAB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@H]1C[C@@H]2[C@@H]2[C@H](c3ccc(F)cc3)c3sc(=O)[nH]c3S[C@H]12 247535024 QFGDUGJTSQXGGQ-DXXZMKCOSA-N 513.015 4.907 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)c2ccccc2)cc1 260773259 INUWKDXJBALSDO-RUZDIDTESA-N 547.721 4.975 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 260871523 BBIZCCDXTUWKBW-DWACAAAGSA-N 627.735 4.523 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc(N4CCCC4)cc3)Oc3ccc(Cl)cc32)cc1 260899608 OTSOFEAZNYXYQZ-RUZDIDTESA-N 512.031 4.844 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 260911748 QMZXAXHJQOFAFO-YADHBBJMSA-N 542.101 4.867 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)cc1C 260936835 MRUYCBLQQNVZSX-GDLZYMKVSA-N 567.727 4.621 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 260987503 BYXMUEVGELDRMH-DFHRPNOPSA-N 616.180 4.678 0 40 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Cc1ccc(S(=O)(=O)N(CC(=O)NCC2(c3ccccc3)CCOCC2)c2ccc(C)c(C)c2)cc1 225445251 DDRAOJLBYLAQKM-UHFFFAOYSA-N 506.668 4.672 0 40 KJAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 225454778 QVGLZCVIRHCFDA-IBGZPJMESA-N 667.420 4.887 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 225701502 HGQZXFQUWOKLIB-MUUNZHRXSA-N 535.710 4.831 0 40 KJAB CC(C)c1nc(Cc2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(Br)cc4)C3)cc2)no1 226077251 YJWYTDMMKYDPPU-GOSISDBHSA-N 547.475 4.586 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cc4noc(C(C)C)n4)cc3)cc2)cc1 226084831 YEGYEIWNPGSDRP-UHFFFAOYSA-N 536.610 4.611 0 40 KJAB NC(=O)/C=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1 226361089 GYRUSEGJGNESPF-AATRIKPKSA-N 539.538 4.627 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(Cl)cc2)c1 260891880 RJTYDGITTGILAT-OAQYLSRUSA-N 560.091 4.925 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)cc1 260904244 BDGIEXJQUFXRKI-MUUNZHRXSA-N 570.155 4.827 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)N[C@H](C)CC)c2ccc(F)cc2)cc1 260916175 GFYZRAJRSVXDDB-DHIUTWEWSA-N 599.725 4.760 0 40 KJAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 260974623 ALKFHTITFHIMOO-DWACAAAGSA-N 660.631 4.787 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 260996913 QZCGHRWMJRFIHO-NVQXNPDNSA-N 529.747 4.781 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 261040204 YKRLAMLEKBXIOB-DQEYMECFSA-N 565.736 4.839 0 40 KJAB COc1cccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(F)cc3)cc3cc(Br)ccc32)c1 408575146 JBJHGBWEZLKWFC-UHFFFAOYSA-N 525.334 4.513 0 40 KJAB COc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1 408579478 NUFDSLMRHPKQKI-SFHVURJKSA-N 542.419 4.689 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CCc3ccccc3)cc2)cc1Cl 408584923 WOYVVAXLLZABEV-SFHVURJKSA-N 503.020 4.666 0 40 KJAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl 408584939 WVWYFJYZDRJSNG-FQEVSTJZSA-N 513.059 4.998 0 40 KJAB CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2Cl)cc1 408593166 PGXRBTZSOXBYCD-UHFFFAOYSA-N 501.004 4.898 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Cl)cc1 408641974 LRCROYUNKODNLM-BQLROHOASA-N 529.807 4.940 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1 408645792 IIKXVILEPYBBET-SZPZYZBQSA-N 549.004 4.812 0 40 KJAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 408702729 NZDJTFKLDASZKS-UHFFFAOYSA-N 548.086 4.794 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408763038 QZCAUPWEOIYRNN-FQWZWQHVSA-N 663.546 4.641 0 40 KJAB CCOC(=O)Cn1c(C)c(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)c2ccccc21 408924193 QSUGCQYAYHKPKA-CWJUKMOQSA-N 603.766 4.735 0 40 KJAB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cccc(Oc5ccccc5)c4)c(=O)n32)cc1OCC 408932663 DHTGBYVTJHQGGE-VBSNSAIWSA-N 556.640 4.608 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408992548 ALVKPWAIOYWNTP-QPWQWLJXSA-N 524.642 4.765 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)c2ccc(F)cc2)cc1OC 409172674 FRNXKVAUYZIHLJ-UHFFFAOYSA-N 512.481 4.696 0 40 KJAB CCOC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1OC 409374385 OGTIDJCGKCODOR-JAIQZWGSSA-N 591.480 5.000 0 40 KJAB Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409377331 GLFUNEBRZKTWGN-NHCUHLMSSA-N 516.333 4.776 0 40 KJAB O=C(N[C@@H]1CCSc2ccc(F)cc21)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 514388092 OPTZEZPDSVCETN-LJQANCHMSA-N 502.555 4.599 0 40 KJAB COCC(=O)N1CCCN(Cc2ccccn2)CCN(C(=O)c2c(-c3ccccc3OC)noc2C)Cc2ccccc21 643589423 SDOZHMSNYRLPLY-UHFFFAOYSA-N 583.689 4.581 0 40 KJAB O=NN1[C@H](Cc2ccccc2)[C@@H]2C(=O)N(CCCCCCN3C(=O)[C@@H]4[C@H](Cc5ccccc5)N(N=O)[C@]5(C(=O)Nc6ccccc65)[C@@H]4C3=O)C(=O)[C@@H]2[C@]12C(=O)Nc1ccccc12 1615056174 VMJIAZUKKMJSMG-SJIRUUIGSA-N 834.890 4.661 0 40 KJAB COC(=O)c1ccc(NC(=O)COC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 849967 HJMCBKGILIMTJP-UHFFFAOYSA-N 513.575 4.871 0 40 KJAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(C(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)OCO2 930986 PLRKIGYZNOSEDR-AOYPEHQESA-N 520.607 4.840 0 40 KJAB O=C(Nc1cccc(Cl)c1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1335983 TZNVJPYCJBPUMK-UHFFFAOYSA-N 519.941 4.916 0 40 KJAB O=C(NC(=S)NNc1nc2c(c(=O)n1-c1ccccc1)C1(CCCC1)Cc1ccccc1-2)c1ccccc1 2299343 IDRAANZXNAIZCN-UHFFFAOYSA-N 521.646 4.899 0 40 KJAB CCOc1ccc(NC(=O)Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3c4c(sc32)COC(C)(C)C4)cc1 2374268 LYLOZFDKFVJKLJ-UHFFFAOYSA-N 540.041 4.756 0 40 KJAB Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c(C)c1 3166535 WERZFBYYNMXHCW-UHFFFAOYSA-N 550.592 4.581 0 40 KJAB COc1cc2c(cc1OC)[C@@H](C)N(S(=O)(=O)c1cc(Br)ccc1Br)CC2 9128621 BZFMXZCRAKRCHW-LLVKDONJSA-N 505.228 4.537 0 40 KJAB COc1ccc(CNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1 10300397 RZVGGMXHDRFMSD-UHFFFAOYSA-N 523.438 4.831 0 40 KJAB C[C@H](OC(=O)c1oc2ccccc2c1CSC1CCCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12802592 ZGOALXJKIVJRIG-INIZCTEOSA-N 516.641 4.830 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)ccc1OC 13032180 HDLFWFXTOVZGBO-AREMUKBSSA-N 503.603 4.729 0 40 KJAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CN1CCN(C(=O)c2ccccc2)CC1 13113322 OSFFWTSRNLFRCF-UHFFFAOYSA-N 512.031 4.642 0 40 KJAB CCC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccccc1OC)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 13499419 AHUYNCAHHSJTGX-HSZRJFAPSA-N 534.661 4.839 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccc(C)cc2)cc1Br 20239907 GKBJHJVZLJCPRZ-UHFFFAOYSA-N 507.381 4.739 0 40 KJAB COc1ccc(OC)c2sc(N(CCCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc12 38139100 YFXPCYDYMNVYEV-UHFFFAOYSA-N 594.759 4.659 0 40 KJAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N(Cc3cccnc3)Cc3ccco3)cc2c1 57608140 FYJVNYFZZLAUHF-MHZLTWQESA-N 509.614 4.972 0 40 KJAB COc1ccccc1[C@H](C)NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Br)cc1 59835956 FTDFOGFAKKRNRI-IBGZPJMESA-N 531.472 4.834 0 40 KJAB CC(C)C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)NCCc1ccccc1F 70701579 SYOGVZLNQPINRT-XEVVZDEMSA-N 552.650 4.667 0 40 KJAB biogenic COC(=O)[C@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 77319627 NEJKVTFPWPZGFX-WLGPCAMQSA-N 664.878 4.925 0 40 KJAB in-vitro COC(=O)C[C@H](c1coc2ccc(OC)cc2c1=O)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 96116125 USOOJYAIUPMIIB-QGZVFWFLSA-N 514.486 4.681 0 40 KJAB biogenic C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 100176782 CUMDPQZIIIQAJT-GCJKJVERSA-N 533.741 4.722 0 40 KJAB Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c2ccc(Cl)cc2)cc1 100290648 FGCREOHCGBMCIB-VPUSJEBWSA-N 563.033 4.511 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)N(CCc1ccccc1C)C(=O)Cn1nnc2ccccc21 100355646 CZMOFARYHNCYRG-SSEXGKCCSA-N 587.721 4.883 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OCC)c(C(C)C)c3)[C@H](C)C2)cc1C(C)C 101030293 OFSOEHOYNISBED-OAQYLSRUSA-N 552.759 4.815 0 40 KJAB COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 103534203 QOGNHDGKUZYEBQ-HOSLJWMQSA-N 528.992 4.919 0 40 KJAB COc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4cc(Br)ccc4OC)cc3)CC2)cc1 105351958 IESHBYCRFVWKIO-UHFFFAOYSA-N 583.508 4.556 0 40 KJAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 136561525 PNWJEWNEIJWZMH-YYDVJCTNSA-N 525.436 4.534 0 40 KJAB COc1ccc(S(=O)(=O)N(c2ccc(S(=O)(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1Br 150381400 PVYHDVNTJBZSHH-UHFFFAOYSA-N 738.498 4.988 0 40 KJAB COc1cccc(NC(=O)[C@H](SC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc2)c1 215742726 CRDZOAYDJHTAPN-KNOQFWTLSA-N 505.665 4.674 0 40 KJAB 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CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OC 408941728 QICORLJOCLYBHU-RYOBIWAXSA-N 564.704 4.773 0 40 KJAB COc1ccc(CCNC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408970310 FSROAOYWXJHHKL-UHFFFAOYSA-N 507.439 4.552 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC)c(=O)n2[C@@H]1c1cccc(Cl)c1Cl 408984559 IGDBAOVXNXZEBS-DUBROFONSA-N 517.434 4.504 0 40 KJAB CCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 409017014 CYJZEVZDVJVXDQ-OXWVMCNISA-N 539.657 4.671 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(C)cc3)c2=O)=N1 409039119 QNJLEUHXHBJEOY-XPCGLTFESA-N 555.494 4.658 0 40 KJAB COC(=O)c1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccc(OC)cc3)C(C(=O)OC(C)C)=C(C)N=4)o2)c(C)c1 409120126 VGQATQKQVNJONR-UQDCTOEPSA-N 586.666 4.550 0 40 KJAB Cc1ccc(CN(c2ccc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2)S(C)(=O)=O)cc1 409140101 PWUJIUKOBUGXOR-UHFFFAOYSA-N 512.075 4.885 0 40 KJAB 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547.725 4.777 0 40 KJAB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)Cc2ccc(Cl)cc2)c1 9907950 NJSCQNCGHFGYCW-UHFFFAOYSA-N 506.002 4.660 0 40 KJAB CC(C)CCNC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cccc2ccccc12 13031117 YTOBNJXWCSROGI-GDLZYMKVSA-N 506.610 4.916 0 40 KJAB COc1cc(-c2nnc(COC(=O)c3ccc4c(c3)nc(C)n4-c3ccccc3)o2)cc(OC)c1OC 13098570 LNPMGIQMFMPQOB-UHFFFAOYSA-N 500.511 4.767 0 40 KJAB O=C(CC12CC3CC(CC(C3)C1)C2)NCCCN1CCN(CCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 19840599 OXRDTWSPNGPTJE-UHFFFAOYSA-N 552.848 4.830 0 40 KJAB CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 33469264 ZBACSBPKIAQPDB-CQSZACIVSA-N 522.458 4.764 0 40 KJAB CCN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 39985195 GJKZONFDJWRAMO-UHFFFAOYSA-N 501.446 4.689 0 40 KJAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 59646866 AWKMIWUKRCGSIR-UHFFFAOYSA-N 586.917 4.616 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1OC 59887048 YZKNNSNBEXVASX-UHFFFAOYSA-N 622.043 4.582 0 40 KJAB CCS(=O)(=O)N(CC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc2c(c1)OCCO2 59924250 MOYCARAUGLSKIT-UHFFFAOYSA-N 536.650 4.781 0 40 KJAB CC(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 70705916 MNDWQPBQPMQPHO-TWLDFKIOSA-N 534.660 4.528 0 40 KJAB biogenic O=C1[C@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@@]1(C(=O)N(Cc3ccccc3)c3ccccc31)N1CCC[C@H]21 100220075 XPHWSLMTNITVDN-IKOOFXLXSA-N 531.534 4.731 0 40 KJAB COc1cccc(C(=O)N2CCN(c3oc(-c4cccs4)nc3S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 101793592 BUKCRBUYDHGLJO-UHFFFAOYSA-N 544.054 4.860 0 40 KJAB COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)NC[C@H](O)Cn1c2ccccc2c2ccccc21 102416245 QRWJHVDWXNABIA-QFIPXVFZSA-N 614.145 4.621 0 40 KJAB COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1OC 102762704 BKVGQQYQSQAJSB-CERRFVOPSA-N 510.546 4.917 0 40 KJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 102893937 MEUGUJJXQASHQF-ASDGIDEWSA-N 561.516 4.631 0 40 KJAB O=C(COC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1C(F)(F)F)Nc1ccc(F)c(Cl)c1 102994433 VKVZCPSVHFKCNE-OAQYLSRUSA-N 570.948 4.795 0 40 KJAB COc1ccccc1NC(=O)COc1ccc(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1OC 103127251 ZWGMVQBZJZQQMY-UHFFFAOYSA-N 546.576 4.821 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(OC)ccc3OC)c2=O)=N1 104677178 COBASGHAEQFDQT-CMISJSSVSA-N 534.678 4.719 0 40 KJAB CCCCc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 136549376 PCAZNNXKBHZKGO-WEWMWRJBSA-N 512.654 4.570 0 40 KJAB CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1 150340051 SASWSEQJAITMKS-JJNNLWIXSA-N 930.205 4.703 0 40 KJAB in-man CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 222644593 UTPXKZFDRRAYDH-IBGZPJMESA-N 548.492 4.660 0 40 KJAB C[C@H](NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 222660798 LGNUGSXLTJZDKY-INIZCTEOSA-N 521.422 4.837 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 222714485 PFVZZODBWCSZLE-SANMLTNESA-N 576.546 4.762 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 222955685 YXCXOTFJSWWAQH-HSZRJFAPSA-N 548.492 4.742 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223064033 HCWSQOYIVAIJLS-DEOSSOPVSA-N 565.736 4.839 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN1C(=O)c2cccc3cccc1c23 223155797 NUIWIRZGDINPQT-MUUNZHRXSA-N 505.618 4.885 0 40 KJAB CC[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(C)ccc2O1)c1ccc(OC)c(C)c1 223572311 AAMOZENDXCXPIM-HOFKKMOUSA-N 508.640 4.844 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O 223701586 BBZZOIRKIFORGU-AREMUKBSSA-N 606.572 4.934 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 223872736 IWZSCZGNXQHDNK-QFIPXVFZSA-N 572.555 4.800 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 224113771 AVFPJGYIODJYTG-HHHXNRCGSA-N 535.710 4.751 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 224303591 DQTNIBXKOJXATJ-QHCPKHFHSA-N 631.964 4.577 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 224500897 YGGWATCJBGWHFC-MHZLTWQESA-N 660.631 4.787 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1)c1cc(Cl)cc(Cl)c1 224738338 RNNFVOHTLNGACE-UHFFFAOYSA-N 511.402 4.908 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 224758060 CKXHPTFDOCDSRO-XMMPIXPASA-N 551.709 4.533 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 225080433 CBJOUYLYNBUIAP-SANMLTNESA-N 527.731 4.634 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](CC)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 225139950 POWJCXKLNRTXBU-SANMLTNESA-N 564.148 4.761 0 40 KJAB CC(C)n1c(=O)sc2cc(NC(=O)CCCN(c3cccc(C(F)(F)F)c3)S(C)(=O)=O)ccc21 225173256 QOQRFSLSRFZCAO-UHFFFAOYSA-N 515.579 4.848 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 225331287 ZWVUHNINIASNJL-MUUNZHRXSA-N 571.690 4.596 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 225337807 DDPYBLRDIQRBSE-RTBURBONSA-N 542.529 4.872 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 225412118 WEAXIHAOZIDGMW-NDEPHWFRSA-N 586.154 4.671 0 40 KJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)cc1NS(C)(=O)=O 225486594 STKUFBNAQRTNNO-JWQCQUIFSA-N 537.642 4.569 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225498763 PZHBXAAAHVMCSG-VWLOTQADSA-N 535.710 4.749 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC)c2ccccc2)cc1 225560099 MTHBTVVUYOXDJV-YTTGMZPUSA-N 599.753 4.975 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O 225642918 SBBMZQQCYXJROR-SSEXGKCCSA-N 579.763 4.580 0 40 KJAB CCOc1ccccc1N(Cc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2OC)cc1)S(C)(=O)=O 225655772 GDLYMBWLKPUZBN-IBGZPJMESA-N 512.628 4.560 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 225678563 RVICEFGUOXLGIP-NRFANRHFSA-N 560.091 4.864 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 225709941 YZUJMMOXMZINPG-AREMUKBSSA-N 633.552 4.819 0 40 KJAB Cc1c(Cl)cccc1S(=O)(=O)NC(=O)c1cccc(C[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)c1 257252290 JUGHBOSXOMDIRQ-QHCPKHFHSA-N 557.068 4.595 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)N(S(=O)(=O)c3ccc(Cl)cc3)CC4)C2)cc1C 260743255 OKRFIHVWHASGCH-QFIPXVFZSA-N 618.177 4.838 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC)S(C)(=O)=O)cc1 260765693 REOREEUWMJEYHA-MUUNZHRXSA-N 586.154 4.671 0 40 KJAB CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)cc1 260775406 HKMSIOICJTUVOU-RUZDIDTESA-N 577.747 4.799 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 260820096 VUEUBAAFZYBBGB-HHHXNRCGSA-N 527.731 4.580 0 40 KJAB Cc1c(Cl)cccc1N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 260846931 CFYWQRWXZVQOGN-HHHXNRCGSA-N 556.128 4.579 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccccc1 260875758 GWGMTSKTMIYZJN-HSZRJFAPSA-N 569.699 4.528 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 260894888 SCNCMORVSHZTEK-HHHXNRCGSA-N 556.128 4.579 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 260913973 GCBSYUFGJAEYKC-ZEQRLZLVSA-N 553.700 4.970 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 260940493 IPICAORMWZROFJ-GOTSBHOMSA-N 586.154 4.918 0 40 KJAB COc1ccccc1N(CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 260960437 XZEWFPDKINEWQB-GDLZYMKVSA-N 597.753 4.793 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 261006514 SPCZRZCTPNPROY-IGKIAQTJSA-N 565.736 4.921 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccccc3OCC)n2CC)sc(C(C)=O)c1C 408526546 DKZAJOMAGNRMCC-UHFFFAOYSA-N 516.645 4.844 0 40 KJAB CC[C@H](C)NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)c(C)c2)cc2cc(Cl)ccc21 408574121 CHQDOEQOTLYNOL-ZDUSSCGKSA-N 505.800 4.603 0 40 KJAB Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1 408579715 OLXJQHUSAMMGCZ-LJQANCHMSA-N 526.420 4.989 0 40 KJAB Cc1cccc(N2CCN(C(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)CC2)c1C 408615927 UOARRKUCNCQFHH-UHFFFAOYSA-N 505.684 4.971 0 40 KJAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 408621911 QCWMUSNRNCUZBZ-UHFFFAOYSA-N 540.645 4.833 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(Cl)c2)cc1 408636907 VWEQZRJMUDOWDZ-UHFFFAOYSA-N 584.016 4.896 0 40 KJAB Cc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408648107 CFCPTECSNYIGRL-QULSYZCUSA-N 505.401 4.917 0 40 KJAB CCc1nnc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCC4)cc3s2)s1 408750107 KLVYXBZEBHKCKY-UHFFFAOYSA-N 552.707 4.929 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C\c4cc(OC)ccc4OC)c(=O)n32)cc1 408836586 SSCIDGIFAFDJDS-USDTVRPUSA-N 569.683 4.517 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(OC)c(OCC)c3)c2=O)=N1 409036495 WJLJZSAVNLDQEO-GVMLUORFSA-N 615.546 4.757 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(N4CCCCC4)o3)c2=O)=N1 409037102 SEAYUGGTIGMBMY-CVMWMZFYSA-N 570.111 4.824 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(Br)o3)c2=O)=N1 409048011 VPUOHDLLEJOFRU-MUPHDSPYSA-N 565.873 4.596 0 40 KJAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3OCc3ccc(Br)cc3)C2=O)c1 409087096 GGNNEOGBLRKISG-HYARGMPZSA-N 520.383 4.868 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OCc1ccccc1F 409147555 XISJDPRYQUVDMR-WPWMEQJKSA-N 577.634 4.925 0 40 KJAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccccc3F)c(Br)c2)C1=O 409237386 WJQGXGNWHWZVAX-FYJGNVAPSA-N 554.372 4.707 0 40 KJAB Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]12 409334932 MRNZTJLBPYLUHO-IRCKYJPBSA-N 507.542 4.862 0 40 KJAB O=C(CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2s1)NCCOc1ccc(Cl)cc1 409337911 ZIFYCXFNLMZVBV-KDURUIRLSA-N 530.071 4.917 0 40 KJAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccc(Br)cc3C(C)C)n2C)cc1 409356777 HKHDDFFDQCEAEI-UHFFFAOYSA-N 516.465 4.921 0 40 KJAB CC(C)CN(CC(=O)O)C(=O)c1cnc(N2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2)nc1CCc1ccccc1 585266768 HERXJFQPMBXSHG-SANMLTNESA-N 564.086 4.706 0 40 KJAB CC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)C[C@H]3CCCCO3)Cc3ccccc31)N2Cc1ccccn1 643577898 HWJZWYJMIIAZEZ-OZNIXHKMSA-N 504.675 4.549 0 40 KJAB COc1ccc(CCNC(=S)N(Cc2ccc3c(c2)OCO3)Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC 875041 OOOOSPIRKBHFLX-UHFFFAOYSA-N 545.661 4.702 0 40 KJAB Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1 886021 HJKUPZBOOFXUQC-SANMLTNESA-N 551.022 4.863 0 40 KJAB COc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N32)cc1 2328190 DPIILNZNFWKIJH-ZGFBMJKBSA-N 529.390 4.730 0 40 KJAB COc1cc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C(C)C)cc2)cc(OC)c1OC 6190835 IWVKKYMADMRSLL-HHHXNRCGSA-N 617.728 4.678 0 40 KJAB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3)CC2)c1 8903466 BJRQCIKHFNYXHM-UHFFFAOYSA-N 531.653 4.981 0 40 KJAB COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2Cc2ccccc2)cc1 9137128 LVKZNSKQVBYTAR-JOCHJYFZSA-N 507.999 4.658 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(OC)c1 13024743 OVVVOBZSOGUVGE-AREMUKBSSA-N 503.578 4.658 0 40 KJAB COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cc(OC)c(OC)c(OC)c2)cc1 13026195 CIQIYXIIQJHBQA-VWLOTQADSA-N 508.571 4.761 0 40 KJAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 20018605 LBHNMQCZTAACDD-KRWDZBQOSA-N 523.493 4.859 0 40 KJAB CCOc1ccc(CN(C[C@H]2CCCO2)[C@H](c2cc3cc(C)ccc3[nH]c2=O)c2nnnn2C(C)(C)C)cc1 20082296 SSCZDHSUUMQWQB-SHQCIBLASA-N 530.673 4.747 0 40 KJAB COc1ccc(CN(C[C@@H]2CCCO2)[C@H](c2cc3cccc(C)c3[nH]c2=O)c2nnnn2C2CCCC2)cc1 20082962 XHAJWAIDBQIYNB-LBNVMWSVSA-N 528.657 4.717 0 40 KJAB COc1cc(C(=O)N[C@H]2CCCc3ccccc32)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC 22254749 SUVHRVUCNPGMNG-QHCPKHFHSA-N 512.603 4.617 0 40 KJAB Cc1cc(-c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c(C)c2)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 29747696 ICQGISQYMWKVSY-UHFFFAOYSA-N 718.854 4.517 0 40 KJAB O=C(CSc1nnc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)o1)N1CCCc2ccccc21 34791440 DFOWQUTZTZJKEW-UHFFFAOYSA-N 506.609 4.609 0 40 KJAB CC[C@H](c1nnnn1C1CCCCC1)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 57641258 KKKAKXDRPYEFTC-RUZDIDTESA-N 514.630 4.945 0 40 KJAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)c2cccc(Br)c2)cc1Cl 59834163 PRUUOJVECQEVDQ-AOMKIAJQSA-N 551.890 4.878 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c2ccccc2)cc1 59882816 FIJSZUFFYJQLSA-UHFFFAOYSA-N 583.663 4.859 0 40 KJAB COc1ccc([C@@H](C)NC(=O)c2cc(OC)c(OC)cc2N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 59930996 HLHBQNGMCLKSEU-QGZVFWFLSA-N 533.046 4.823 0 40 KJAB CCOC(=O)C1=C(C)C2(Br)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 95100722 BDVCXCSXWQRPKZ-FEOAPSFTSA-N 646.321 4.952 0 40 KJAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)cc4Cl)C3)cc2)cc1 100093458 ZTVAEZGIKGTIBO-SFHVURJKSA-N 612.557 4.983 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCCC1 100370876 PICOCUIAFGKIMH-SANMLTNESA-N 546.672 4.875 0 40 KJAB O=C1[C@@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5ccc(O)cc5)[C@H]34)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 100864119 FELUIYKQARLEKP-OSIAAWHGSA-N 544.576 4.839 0 40 KJAB COc1cc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc([C@H](C)O)cc4)c3N2)cc(OC)c1OC 101192384 TWHFVTXZZJWQBI-FPSMJMQUSA-N 520.508 4.875 0 40 KJAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 102656921 DNOAUEBSLOJGFH-XTBQXTMNSA-N 514.581 4.619 0 40 KJAB C[C@@H](NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1-c1ccccc1)c1ccccc1 103086058 WMJGRHGPCXAXMQ-OAQYLSRUSA-N 547.706 4.688 0 40 KJAB CCOC(=O)c1c(NC(=O)c2cc(Br)cc(Br)c2OC)sc(C(=O)OC)c1C 105321442 OQVGDSCRLVNHRE-UHFFFAOYSA-N 535.210 4.806 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 108447381 DJLNTCRLEVPJJT-DODOAAEWSA-N 642.797 4.644 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 109765984 WRVFRHNVXADVDZ-HRIDGTDGSA-N 616.692 4.641 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OC(C)=O)c(=O)n2[C@H]1c1ccc(SC)cc1 163716318 QJGWFFPXZWABDU-IYMWYRQMSA-N 666.413 4.971 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 222489428 XZTSAQMRKSANOX-BKMJKUGQSA-N 545.746 4.580 0 40 KJAB Cc1ccc(CN(C(=O)CCCN(C)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 222580966 XASCMFYCRCZTBG-PMERELPUSA-N 563.764 4.808 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccc(OC)cc1)[C@@H](CC)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 222862380 RJUGLQZEHIRHAJ-NDEPHWFRSA-N 595.762 4.930 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 222916902 WNCVAJJUXRKWMX-OAHLLOKOSA-N 548.920 4.745 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 222950467 JZHLSYQTKRWPBY-OAQYLSRUSA-N 560.091 4.845 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 223056651 XCUDNOMEXTZURJ-IBGZPJMESA-N 622.969 4.860 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223138698 QZWOOGJQMIGHQO-QFIPXVFZSA-N 536.138 4.837 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 223202253 PXEVNJVTJMXXRT-HHHXNRCGSA-N 595.762 4.930 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 223511650 WFFIACLAQAKIHV-IBGZPJMESA-N 548.492 4.742 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1F 223543789 XUAVRLIIYSCTJX-QHCPKHFHSA-N 513.407 4.743 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 223745762 XNGJWGRFBMSVCR-FQEVSTJZSA-N 546.064 4.536 0 40 KJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 223848649 FVIJXDCNMFPCJO-NRFANRHFSA-N 630.138 4.922 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223945669 FJDRTGISFCWLMP-IBGZPJMESA-N 608.544 4.759 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 224041053 QLEXUHHAKRMQPN-HHHXNRCGSA-N 600.579 4.690 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 224193395 RMWQDXKFZZYSCB-HHHXNRCGSA-N 565.736 4.759 0 40 KJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 224205591 WAOBCGXCQCZPPH-UHFFFAOYSA-N 559.844 4.621 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224214656 QRZGIYGTBFLSBP-XMMPIXPASA-N 554.540 4.934 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 224295119 MGCVHTBIBYQNLL-JOCHJYFZSA-N 542.529 4.792 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 224364299 VNUIPMGBDUVYHM-GDLZYMKVSA-N 567.727 4.847 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O 224391449 XNOSXMIXKJMIHG-MUUNZHRXSA-N 614.606 4.944 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](CC)C(=O)NC1CCCC1)S(C)(=O)=O 224403001 VURQQAWJPGQROO-VWLOTQADSA-N 561.720 4.637 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 224463743 CCUXYTPPUPUCIM-HSZRJFAPSA-N 554.540 4.934 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 224465983 NVOUWCLTMGJVLS-HSZRJFAPSA-N 600.565 4.643 0 40 KJAB CCOc1ccc(-c2noc(CN(C)C(=O)c3ccc(CN(c4cc(C)ccc4C)S(C)(=O)=O)cc3)n2)cc1 224475454 WADGQOLSZZZZDF-UHFFFAOYSA-N 548.665 4.991 0 40 KJAB CCCSc1nnc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)s1 224657421 RIQIVXYTOZIIKC-UHFFFAOYSA-N 527.491 4.637 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 224691116 AVRKBXDJLPTGQI-HXUWFJFHSA-N 537.657 4.744 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Br)cc1 224992593 GCMNPQSLFSMXOF-JOCHJYFZSA-N 646.604 4.995 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 225048961 MFDWYBLKBPNQST-SANMLTNESA-N 527.731 4.634 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)c1 225097143 PTEAOBGQSOIZFB-MHZLTWQESA-N 606.572 4.933 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 225137909 NZMNVNOPAOHNQA-FCHUYYIVSA-N 542.101 4.867 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 225139756 HXJMUCQKCVGQLI-JOCHJYFZSA-N 542.101 4.869 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(OCC)cc1)S(C)(=O)=O 225227890 FQVJQQKNDYUQFQ-NRFANRHFSA-N 596.588 4.728 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2c(C)[nH]c(C)c2I)cc1C 225261808 PCDLVFYKOQBSGO-DHIUTWEWSA-N 575.476 4.702 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225340152 XPDDVMJBLBHMOJ-JKSUJKDBSA-N 548.920 4.599 0 40 KJAB CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccc2c(c1)OCO2 225382444 GQCMFCALGYCIGF-LJAQVGFWSA-N 623.747 4.800 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 225389294 ZGJNBKNPKDIUHP-MUUNZHRXSA-N 628.191 4.824 0 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CCOc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccccc2)cc1 261007370 SYAKXLDHPOYQDS-LOSJGSFVSA-N 565.736 4.921 0 40 KJAB CC[C@H](C)NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(C)cc2Br)cc2cc(Br)ccc21 408572876 AIBWNWYXOHXZGL-ZDUSSCGKSA-N 550.251 4.712 0 40 KJAB COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)S(=O)(=O)c2cc(C)ccc2OC)cc1 408588469 CUKPYFSNHNGMQR-UHFFFAOYSA-N 504.992 4.508 0 40 KJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408690235 UKWQVGLJLAFMAQ-XUUBECAPSA-N 573.871 4.535 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 408725096 FBJNJRPRIQTSCO-FJNIOPPGSA-N 577.662 4.530 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3O)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408769820 PHMODLVGQDGUJL-KKGUTSHJSA-N 717.230 4.809 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3OC(C)C)c(=O)n2[C@H]1c1ccc(F)cc1 408798025 DMFRYLFLYJCTRA-QPWQWLJXSA-N 542.632 4.862 0 40 KJAB COc1ccc(NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 409006562 PCKZPVSPMZJLRC-UHFFFAOYSA-N 527.401 4.979 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409035100 IXMYJFZHLGVGCD-DKOMQPSQSA-N 727.415 4.970 0 40 KJAB COc1ccc(CCNC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409055779 BCBXSKHEVXZHQM-UHFFFAOYSA-N 507.439 4.552 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 409165438 YGMSZJKPWLQMEL-BHPJPYPXSA-N 690.822 4.536 0 40 KJAB CC(C)CNC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1 409367204 KDTJUUSYHCCJLN-UHFFFAOYSA-N 508.265 4.719 0 40 KJAB CN(C)CCOc1cccc(C(=O)N2CCC3(CCCCc4ccccc4OCCCC(=O)NC3)CC2)c1 643561999 LORYYZFKVLSNSE-UHFFFAOYSA-N 521.702 4.551 0 40 KJAB C[C@@H]1COc2ccccc2CCCCC2(CCN(C(=O)c3cccc(OCCN4CCCC4)c3)CC2)C(=O)N1 643562274 HUGBKGWEBSMGON-RUZDIDTESA-N 533.713 4.694 0 40 KJAB Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](c3ccc(N(C)C)cc3)c3c[nH]c4ccccc34)CCOCC2)o1 1547139237 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CCC(C)(C)n1nnnc1[C@H](C(C)C)N(CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 13500515 WDFDAJAZTHKWBJ-SANMLTNESA-N 516.646 4.830 0 40 KJAB CCOC(=O)c1ccc(NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 22233179 YLEHWUDKJZERKY-UHFFFAOYSA-N 517.003 4.500 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OC)c(=O)n2[C@H]1c1ccccc1 59247857 DOICMLDPDORHSF-FGSNJIQSSA-N 575.484 4.707 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(F)cc1 59600079 JNSYBCFSGNTZMP-UQTDQPHJSA-N 518.997 4.728 0 40 KJAB COC(=O)c1cc2cc(NC(=O)COc3ccc(N(Cc4ccc(C)cc4)S(C)(=O)=O)cc3)ccc2s1 59928417 ZPPSWBHLPVWMCP-UHFFFAOYSA-N 538.647 4.980 0 40 KJAB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 95346111 JAFRYOZMXQRUJI-FCEKVYKBSA-N 520.541 4.966 0 40 KJAB O=C(COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 97979426 GBVZIQCVRYGHIQ-SDNWHVSQSA-N 651.539 4.518 0 40 KJAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCc2sccc2C)cc1 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0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C/c4c(C)nn(-c5ccccc5)c4C)c(=O)n32)cc1 101612155 YZOJQTKWNOXPBX-ASUJOLEISA-N 589.721 4.993 0 40 KJAB COc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)CNC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 103088881 PQJQWDCJBOXOSS-UHFFFAOYSA-N 537.572 4.526 0 40 KJAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)c3ccccc3)c2)sc(C(C)=O)c1C 103098022 YGRZTGSTWBDCPR-UHFFFAOYSA-N 593.079 4.710 0 40 KJAB CC[C@H](Sc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1)OCO3)C(=O)NCc1ccco1 150444671 FXPQRUZKMMKNLW-YTTGMZPUSA-N 684.771 4.943 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 164546755 UMNZFIZTHMLBNA-ZEKHAJRLSA-N 682.536 4.653 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 222456723 FDTHPSSHXYGKPN-JOCHJYFZSA-N 542.101 4.624 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 222631453 OMWCVFVQDTUOFA-DEOSSOPVSA-N 535.710 4.831 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 222946068 JABSHVZLGDDAEJ-SFHVURJKSA-N 566.482 4.881 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 223035417 XXICPKZULLDDCM-FGZHOGPDSA-N 572.127 4.876 0 40 KJAB CC(C)CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 223085854 DJIXMIZFIGMCKL-GDLZYMKVSA-N 584.182 4.904 0 40 KJAB CCOc1ccccc1N(CC(=O)Nc1nnc(SC(C)C)s1)S(=O)(=O)c1ccc(SC)cc1 223143691 FICPERMDUZNNDB-UHFFFAOYSA-N 538.742 4.993 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223276408 YSIKKSGYOVLNRU-MHZLTWQESA-N 595.762 4.930 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN1C(=O)c2cccc3cccc1c23 223431682 JHVWUYULKCNASV-HHHXNRCGSA-N 509.581 4.715 0 40 KJAB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCCOc1ccccc1Cl 223494951 ZUKIRFIROJELPX-UHFFFAOYSA-N 512.937 4.749 0 40 KJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 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COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)C2)cc1 13595901 XFRMTZLSIVUTLH-IBGZPJMESA-N 513.015 4.619 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl 20014972 VXEZZGJQLVYKDJ-UHFFFAOYSA-N 510.946 4.778 0 40 KJAB COc1ccc(Br)cc1C(=O)NC(=S)Nc1nc2ccc(C(=O)OC(C)C)cc2s1 20411893 KDESUXHSPALEMH-UHFFFAOYSA-N 508.419 4.759 0 40 KJAB COc1cccc(CN2CCN([C@H](c3cc4c(C)ccc(C)c4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)c1 22871616 ZDCCVZMSIZLODY-GDLZYMKVSA-N 541.700 4.552 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC1CCCCC1)c1cc(C(F)(F)F)ccc1Cl 59652530 MSDKSHSIJKUHHS-UHFFFAOYSA-N 531.984 4.826 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 97962526 SQTWGJZVIFOOTL-ZMUHTPIZSA-N 720.754 4.670 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@@H]1c1ccccc1 100746415 LHJRFOHIPAFZTA-AHQATDLNSA-N 576.630 4.894 0 40 KJAB CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(C(F)(F)F)ccc4N4CCN(c5ccccn5)C[C@@H]43)C2=O)cc1 101391606 VIIJCHKFDAITMS-IRPSRAIASA-N 563.580 4.938 0 40 KJAB CCS(=O)(=O)Nc1ccccc1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(F)cc2)C1 101491092 XVPSLXVKAHYOEU-HSZRJFAPSA-N 522.023 4.781 0 40 KJAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)OCc1cc(=O)n2cc(Br)ccc2n1 102289171 RNVDSEAPZILLJS-RKOMNEFPSA-N 510.226 4.624 0 40 KJAB COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)O[C@@H](C)C(=O)N3CCCC3)c(Cl)cc2Cl)cc1Cl 102975350 XEJDVVPRMOMOIM-LBPRGKRZSA-N 565.859 4.633 0 40 KJAB C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 103131536 SQBXRUZSZXHPBZ-PSLXWICFSA-N 587.865 4.649 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 103788991 CJUMOUYMSKUJPW-DPWKNNTCSA-N 587.403 4.665 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=S)NC(=O)c3cccc(Cl)c3)CC2)cc1 104085124 GHEDCUQNEIRVBI-UHFFFAOYSA-N 563.532 4.940 0 40 KJAB COc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3[C@]23N=C(c2ccccc2)OC3=O)cc1OC 104181579 MOAYBUZKDWDQOI-YDCVZUCISA-N 537.616 4.918 0 40 KJAB COc1ccccc1OCCNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C 108448662 QGRLDJDGHIWRJJ-UKJJDJLKSA-N 633.742 4.503 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 150389483 FTAYSWINIUASJG-QHZSLAKNSA-N 667.534 4.625 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(I)cc(I)c3OC(C)=O)c2=O)=N1 164198440 SUFGCIKWVONCOP-UTWPHBJQSA-N 802.425 4.730 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 215945462 MJJMRZMDZYHTQQ-UHFFFAOYSA-N 630.148 4.699 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 222462461 IQLYDAKXTHLBKB-MUAVYFROSA-N 581.735 4.621 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 222532123 JLAOGFQBZXJNHU-AREMUKBSSA-N 618.127 4.778 0 40 KJAB CCOC(=O)C1(c2ccc(NC(=O)COc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3)cc2)CC1 222688720 CXCCLFFBZGVXEV-UHFFFAOYSA-N 522.623 4.716 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 223136946 SMIYKQWMWLOQDT-YTTGMZPUSA-N 599.753 4.975 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 223249634 MTWNDBIFIJSDCE-SFTDATJTSA-N 580.589 4.890 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 223263950 APTBDDNXYRZDLB-HNNXBMFYSA-N 566.910 4.886 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 223321083 HYGJBVWRDADKBN-NRFANRHFSA-N 548.920 4.746 0 40 KJAB O=C(NCc1ccc2c(c1)OCO2)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1 223367416 WWFVEMRTSZDYEQ-SSEXGKCCSA-N 508.574 4.881 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223703094 KPHOWIFMSPBOII-RUZDIDTESA-N 529.747 4.515 0 40 KJAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 224169207 PCNBSMUHUFEQRY-AREMUKBSSA-N 600.579 4.770 0 40 KJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 224213452 WWOJTLVXGAATOW-NDEPHWFRSA-N 570.155 4.889 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 224279318 GLIXUXDCLAUHAJ-AREMUKBSSA-N 602.153 4.804 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 224549250 YYMRQCWRNPIEPD-AREMUKBSSA-N 636.598 4.943 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 224855358 MJAIFVRONUUGCF-LJAQVGFWSA-N 565.711 4.599 0 40 KJAB CSc1ccccc1N(Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1)S(C)(=O)=O 224880919 KVBFLXNXHQUHPQ-UHFFFAOYSA-N 505.061 4.837 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224989353 AEJDZAUHGHGLMJ-LOSJGSFVSA-N 595.762 4.848 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 225119614 YNGHIOFEZIWEHV-MHZLTWQESA-N 545.721 4.937 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 225377750 FCYAMVVPBUBLDP-OAQYLSRUSA-N 578.946 4.755 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)c(Br)c(C)c1 225405139 ZOCXLCRXGINYII-RBUKOAKNSA-N 505.453 4.785 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 225474665 YRIDGNCMEUPZKH-IBGZPJMESA-N 592.943 4.770 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 225637133 XQDFWOWOAFWDKI-WMZHIEFXSA-N 540.101 4.747 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc1 225787871 GFFDWNTZUGDPIK-UHFFFAOYSA-N 566.126 4.596 0 40 KJAB CC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl 225799914 WCIDXZALYZQCTG-UHFFFAOYSA-N 516.044 4.704 0 40 KJAB CCOc1ccc(N(CC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)S(=O)(=O)c2cc(C)ccc2OC)cc1 226059664 KXDKFYVRHWCEJS-HKBQPEDESA-N 629.735 4.708 0 40 KJAB O=C(C[C@]1(COc2cccc(Cl)c2)CN(C(=O)Cc2ccccc2Br)CCO1)N1CCCCC1 257335939 YMMPDGNNJDSRDV-AREMUKBSSA-N 549.893 4.724 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 260747406 AFJOZOPPVKFUIT-MUUNZHRXSA-N 557.757 4.806 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 260813265 VGLLFCLKLSSZRE-XMMPIXPASA-N 565.736 4.839 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)c2cccc(C)c2C)cc1 260884266 PJTJVAZAGVIOGR-XMMPIXPASA-N 553.700 4.888 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 260920495 GQUCESLWJMFBAT-DQEYMECFSA-N 535.710 4.831 0 40 KJAB CCc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c1ccccc1 260928006 HJIAAULRUNYEDZ-LOSJGSFVSA-N 549.737 4.819 0 40 KJAB CC(=O)c1cccc(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 260958751 XSJKOYAKVAYHJP-WJOKGBTCSA-N 607.748 4.883 0 40 KJAB COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 408560261 YFBDLPFUFMVLLS-UHFFFAOYSA-N 509.411 4.541 0 40 KJAB COc1cccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)c5ccc(Br)cc5C4=O)c(C)c3)CC2=O)c1 408638179 BQHYMEMULQYGPG-INIZCTEOSA-N 549.377 4.525 0 40 KJAB CC1=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@@H]4CC(=O)N(c5ccc(C)c(Cl)c5)C4)cc3C)C(=O)[C@@H]2C1 408638736 DEZJMZHTCKCFDE-BVYCBKJFSA-N 506.986 4.761 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 408695972 XHHBRFFUZUGUTO-UHFFFAOYSA-N 574.533 4.895 0 40 KJAB O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408702561 BTPXNBDKYUAEMF-MUUNZHRXSA-N 536.053 4.839 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OC)c(Cl)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408969089 HCBFXSCQEHDYDE-OLROSQPISA-N 537.852 4.767 0 40 KJAB O=C(Nc1ccc2nc3c(nc2c1)CCCC3)c1ccc(OC(=S)N2CCN(c3ccccn3)CC2)cc1 408975571 NEDRYSMVCKPLBW-UHFFFAOYSA-N 524.650 4.642 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(I)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409041998 WTGUTTMHRJPYSI-IZBTWGKQSA-N 774.415 4.812 0 40 KJAB CCOc1cc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=S)N2CC(=O)OC)ccc1OCc1ccc(F)cc1 409058409 NBHKWMZCPAGMJS-IWIPYMOSSA-N 550.608 4.960 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC 409104815 IODGSDPWZHRJHV-MJASDKGPSA-N 651.764 4.845 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409107120 VDGIMCJYZJCIEC-KEWOFRHOSA-N 550.931 4.581 0 40 KJAB O=C(Cn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c2ccccc21)NCc1ccccc1 409124245 ARYPIFIVDOKSSL-QFEZKATASA-N 542.592 4.772 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)c(=O)n2[C@H]1c1ccc(C)c(OC)c1 409168514 LVTDCUZTNLXVIW-KEQCBNTKSA-N 593.057 4.727 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1C 409174965 WXKPOUWSTVSYHZ-UHFFFAOYSA-N 625.700 4.849 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1OC 409175910 DPAJUWCIROVLDF-UHFFFAOYSA-N 569.655 4.739 0 40 KJAB CN1CC[C@@H](C(=O)N2CCCN(Cc3ccc(Cl)cc3)CCCN(C(=O)C3CC3)c3ccccc3C2)C1 643572632 KEDMUKSBRZRDEX-AREMUKBSSA-N 523.121 4.659 0 40 KJAB COc1ccc(N(C(=O)[C@@H]2COc3ccccc3O2)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1 930892 YQIRTLKORASSRH-NSOVKSMOSA-N 516.594 4.764 0 40 KJAB CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 1375155 KUPALBOGUCRSSX-MHZLTWQESA-N 512.614 4.935 0 40 KJAB NC(=O)CSc1nc2c(c(=O)n1-c1cccc(Br)c1)C1(CCCCC1)Cc1ccccc1-2 1817335 YRZSCBFJQWIZBO-UHFFFAOYSA-N 510.457 4.997 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@@H]1c1ccccc1 2081221 CSMISFNNSNRIAU-DLBLZJNESA-N 504.995 4.712 0 40 KJAB Cc1c(OCC(=O)N[C@@H](CSCc2ccccc2)C(=O)O)ccc2c(-c3ccccc3)cc(=O)oc12 2124865 AOEWKJQUSISLIB-QHCPKHFHSA-N 503.576 4.650 0 40 KJAB biogenic O=C1[C@@H]2[C@@H](C(=O)N1c1ccc3c(c1)OCO3)C1(Br)c3ccccc3C2(Br)c2ccccc21 2189918 MTZSAERXYJUZLO-SKGAXEKPSA-N 553.206 4.825 0 40 KJAB Cc1c(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(SC(F)F)cc3)c2)c(=O)n(-c2ccccc2)n1C 3215358 SKRWRAAGUGSFOL-UHFFFAOYSA-N 544.605 4.852 0 40 KJAB COc1ccc(CCNc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)cc2)cc1 3220641 ZCRXQVCXPOVALF-UHFFFAOYSA-N 513.417 4.856 0 40 KJAB CCN(C(=O)COC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1)c1cccc2ccccc12 3347065 RSIXWSQHFWUNEY-UHFFFAOYSA-N 532.618 4.883 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 3671265 PDIPLURHQJIBSN-BIWBSIMWSA-N 556.640 4.880 0 40 KJAB CCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1 6600864 DKXLZIIZFYITHE-QHCPKHFHSA-N 572.749 4.906 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4ccccc4n3Cc3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 8401360 MYYUSJWJEQYZOL-RAWKODRKSA-N 563.679 4.810 0 40 KJAB COc1ccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1S(=O)(=O)N1CCCCC1 9062742 XEFCRBUIHZMAKE-UHFFFAOYSA-N 524.058 4.513 0 40 KJAB CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 11667128 SOCRYXHPCZWADH-NRFANRHFSA-N 504.004 4.686 0 40 KJAB O=C(NCC(=O)N(c1cccc2ccccc12)[C@@H](C(=O)NCc1ccco1)c1ccccc1)c1ccco1 12487138 AGFZGFOJCTYBOZ-MUUNZHRXSA-N 507.546 4.847 0 40 KJAB CCOc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccccc2F)c1 12713703 ALKGLSWXEYBJLD-AREMUKBSSA-N 503.578 4.658 0 40 KJAB CCCCOCCCN1CC(=O)N2C[C@H](c3cccc(OC)c3OCC)c3c([nH]c4ccccc34)[C@@]2(C)C1=O 12873406 ANMUHHNQQSBCKT-IPBJYNAHSA-N 533.669 4.814 0 40 KJAB biogenic CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)cc2)CC1 14276815 ALFIOPVEHHLKGQ-UHFFFAOYSA-N 500.668 4.780 0 40 KJAB COc1ccccc1NC(=O)c1cc2cc3c4c(c2o/c1=N\c1cccc(C(N)=O)c1)CCCN4CCC3 20237182 LREVXHBGJTWZAH-GCUVURNUSA-N 508.578 4.724 0 40 KJAB CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 22429600 HOYNPBPJQMZXJG-SFHVURJKSA-N 503.020 4.820 0 40 KJAB COc1ccccc1CN1CCN([C@@H](c2cc3c(C)cc(C)cc3[nH]c2=O)c2nnnn2C2CCCCC2)CC1 22869760 PFYZFIHHGCDQHS-LJAQVGFWSA-N 541.700 4.552 0 40 KJAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1C 59834354 ANLPMVANZQCQGL-MBSDFSHPSA-N 531.472 4.533 0 40 KJAB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 59928892 NGRBGIZNAYCGDE-UHFFFAOYSA-N 548.492 4.687 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccs3)c(=O)n2[C@H]1c1ccccc1 97962722 WXIBAIFAJCZSFQ-VEOZPNHKSA-N 552.681 4.713 0 40 KJAB COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CCN(Cc1ccccc1)C2 97963441 KXOAXKOLNSGHMX-UHFFFAOYSA-N 553.706 4.520 0 40 KJAB CCOC(=O)c1cc(NC(=O)COC(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc(C(=O)OCC)c1 97979235 RCYNGLWWUYLXHP-ZHACJKMWSA-N 557.962 4.522 0 40 KJAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1 100074340 TUZKHROFOAQOCR-UHFFFAOYSA-N 531.428 4.768 0 40 KJAB CN[C@H]1[C@@H](O)C[C@@H](O[C@H]2C/C=C(/C)C/C(C)=C\C=C/CC[C@@H](C)CNC(=O)/C=C\C=C/[C@H]2C)O[C@H]1C 100133550 FINGADBUNZWVLV-SZZBGAMGSA-N 500.724 4.979 0 40 KJAB in-vitro COc1cc(-c2cc(C)c3c(OC)ccc(OC)c3n2)cc2c1OCCN(C(=O)C[C@H]1NC(=O)c3ccccc31)C2 101847069 GCUPMUMAROZWHJ-XMMPIXPASA-N 553.615 4.832 0 40 KJAB O=C1S/C(=C\c2ccccc2F)C(=O)N1CCN/C=C1/C(=O)N(Cc2ccccc2)C(=O)c2ccccc21 103004076 ACZPGZPJEVRAEF-HZMUCBPTSA-N 527.577 4.675 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccccc4)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 103784465 YVLARONLCDYTRV-ABBNRAPFSA-N 528.605 4.516 0 40 KJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(OC)cc3OC)c2=O)=N1 104677161 PUASHVRUDATACE-ZGOFBEGVSA-N 534.678 4.719 0 40 KJAB COc1ccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 106019877 NJASAZHPMCVLFF-UHFFFAOYSA-N 533.444 4.917 0 40 KJAB COc1ccc(CNC(=O)[C@H](CCSC)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc1 108447799 LJIFZBJJDIBIDQ-XCZPVHLTSA-N 635.783 4.722 0 40 KJAB biogenic Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 215978804 KAXGKHCYYYFQGP-UHFFFAOYSA-N 571.080 4.678 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 222522372 GAFLGKNXHFKVAO-VGOFRKELSA-N 592.080 4.856 0 40 KJAB CCOc1ccc(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](CC)C(=O)NC(C)C)S(C)(=O)=O)cc1 222598821 DHTCCVBRCGPQFK-VWLOTQADSA-N 552.137 4.617 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1cc(C)cc(C)c1 222625261 SFEQOXRODVRONQ-RUZDIDTESA-N 509.444 4.831 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c1 222684276 UMLLXLWSYPDTRD-NDEPHWFRSA-N 570.155 4.827 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 222687624 UTCZRULULOEDMA-SANMLTNESA-N 604.542 4.521 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 222747818 ALMPHMUSRMRGQF-LJAQVGFWSA-N 585.717 4.923 0 40 KJAB CS(=O)(=O)N(CC(=O)Nc1nnc(SCc2ccccc2)s1)c1cc(C(F)(F)F)ccc1Cl 222764685 HFJBUZNGSZACCS-UHFFFAOYSA-N 537.010 4.907 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)c1 222844319 YROQHHICOIFQON-NDEPHWFRSA-N 630.605 4.636 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 222988870 QSXRTPGHKBTIDH-NRFANRHFSA-N 572.525 4.506 0 40 KJAB COc1ccc(CN(C(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 223077162 BFGLMCSPDDWKBE-HNNXBMFYSA-N 578.946 4.753 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 223171099 SDSLNKZMRPLKRQ-SANMLTNESA-N 602.153 4.723 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 223316231 GAVYKLUWQFHPIR-HXUWFJFHSA-N 571.571 4.557 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 223492508 ZNBGHMSIEUTXQM-DEOSSOPVSA-N 581.735 4.541 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 223514964 PYHBLBJTKAPOAH-NFQMXDRXSA-N 592.108 4.939 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 223587673 HJKDZPTYJHEPMG-HHHXNRCGSA-N 618.569 4.911 0 40 KJAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1C(=O)N1CCCCCC1 223595921 LVRCCZLZIBLIEW-UHFFFAOYSA-N 540.686 4.880 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 223642883 NAFOSAWTTAVIQW-OAQYLSRUSA-N 572.525 4.506 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 223651008 HRPHVDUKZUQDNL-VWLOTQADSA-N 537.673 4.543 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223740543 FDRCQPYWCOSMNI-NEKDWFFYSA-N 611.736 4.655 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223764443 AFQABBZHDIUFBW-QFIPXVFZSA-N 562.054 4.849 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 223789259 PRRQOXAZPUYGOG-RUZDIDTESA-N 552.137 4.619 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Br)cc1 223792046 CPMGWCAKVMINKG-FQEVSTJZSA-N 620.541 4.736 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 223800257 OXJIFJOIDYVCDY-VWLOTQADSA-N 577.747 4.983 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 223944627 WYDKUVXOOAKVSH-QFIPXVFZSA-N 646.604 4.914 0 40 KJAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 224071095 BSWZHRAYBTVHRE-VWLOTQADSA-N 550.165 4.961 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 224687944 ZYOANKONVGPYBH-QFIPXVFZSA-N 657.761 4.532 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 224978234 LKSRARVHVSKWSU-BJKOFHAPSA-N 521.683 4.522 0 40 KJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 225046461 BTTBURAFFOBRTA-SANMLTNESA-N 549.737 4.793 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225075497 NWUSUCLTGWTDQC-NHCUHLMSSA-N 552.137 4.535 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 225228443 KHXOLJZBRYNTPO-HHHXNRCGSA-N 572.127 4.878 0 40 KJAB 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CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 222767771 OEDOXEMLQUMBNV-MHZLTWQESA-N 618.569 4.767 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 222778095 OGRMVWSKENQKOU-VWLOTQADSA-N 552.458 4.756 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 222837606 HGMZFFSZOFMODR-IBGZPJMESA-N 578.518 4.669 0 40 KJAB CC[C@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 223060906 IBOALKAASBRLQT-SANMLTNESA-N 520.651 4.799 0 40 KJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1CCN1CCOCC1 223159393 KZCIKSAGOIZWBI-PKTZIBPZSA-N 503.455 4.953 0 40 KJAB O=C(NCc1ccncc1)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 223466238 GLCJEGLIYJLJKD-YTTGMZPUSA-N 600.716 4.681 0 40 KJAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 223493270 MTGJDZVYMJIMNI-DEOSSOPVSA-N 562.519 4.785 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 223782551 SWKVTWOMXAHVIL-JOCHJYFZSA-N 542.101 4.787 0 40 KJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 223882953 BJJZYYPXKKWUFM-JOCHJYFZSA-N 564.482 4.761 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 224270906 KPSZPPHGQMCDFH-AREMUKBSSA-N 578.081 4.551 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 224398304 QEZARNBULAGWRA-INIZCTEOSA-N 548.920 4.602 0 40 KJAB COc1ccc(C)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 224711411 BEHGRTWUJGBFFW-QFIPXVFZSA-N 616.578 4.903 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 224744504 LUBIQMUNFPVYFM-RUZDIDTESA-N 535.710 4.751 0 40 KJAB COc1cc(NC(=O)c2ccc(OC)c(CN(C)S(=O)(=O)c3ccc(C)cc3)c2)c(OC)cc1Cl 224785724 ZSUQNLMBBQUVSH-UHFFFAOYSA-N 519.019 4.747 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224869775 XZAWUGJTLAFUGN-KRWDZBQOSA-N 546.492 4.622 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 224870258 VVXHNOULVMOUSA-MUUNZHRXSA-N 570.155 4.905 0 40 KJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 225109356 CODGBRAFGOHNTG-MHZLTWQESA-N 527.731 4.634 0 40 KJAB CCc1ccccc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 225133920 BLACRLOAFUBVAJ-FQEVSTJZSA-N 534.122 4.535 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 225139127 IYGJPRDOJHBMOP-KRWDZBQOSA-N 558.503 4.765 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 225271451 MPHIOYBDZCWKBD-MHZLTWQESA-N 556.128 4.662 0 40 KJAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccc(F)cc1 225377425 VLFPNKVZJXTKDZ-LJAQVGFWSA-N 583.701 4.820 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 225391877 QSQVLGBDGMEWSP-MHZLTWQESA-N 551.709 4.533 0 40 KJAB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3nccs3)c2C)ccc1NS(C)(=O)=O 225418515 FDLFYDRQQHAOEO-DHIUTWEWSA-N 554.723 4.503 0 40 KJAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 225443222 CQMAALLULGHIPG-DEOSSOPVSA-N 521.683 4.505 0 40 KJAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225444076 OVIJFJGOXXCYNL-HSZRJFAPSA-N 556.556 4.916 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 225464274 LUJDNEIXPPRTHQ-RPLLCQBOSA-N 565.736 4.921 0 40 KJAB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccccn2)c1 225636250 ZQVHSWPPXQJFOE-VSGBNLITSA-N 510.667 4.945 0 40 KJAB O=C(C[C@]1(COc2ccc(Cl)cc2)CCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1)N1CCOCC1 257225406 FGBHTNKVMUEIER-XMMPIXPASA-N 561.915 4.746 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 260825832 ZXAAENOODQVOBI-OAQYLSRUSA-N 602.153 4.885 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 260873423 FYZVMANWEXTYIH-LJQANCHMSA-N 572.555 4.738 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 260880132 HVIQFKRQOBJUKQ-RPBOFIJWSA-N 565.736 4.839 0 40 KJAB Cc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 260935863 BXDYAJFTDHXDJZ-LJQANCHMSA-N 554.540 4.934 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 260944310 JCPXQKBRFADSIQ-CUBQBAPOSA-N 593.746 4.684 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 261003274 FNVDQXISQPPQIV-YADHBBJMSA-N 557.663 4.801 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 261118004 YWLLPIUDPDTHAW-GIGWZHCTSA-N 549.737 4.570 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)c2ccc(F)cc2)cc1OC 408629925 KNAYYZQQZIKQJY-UHFFFAOYSA-N 534.609 4.944 0 40 KJAB COc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc(I)c1OCC(=O)O 408632941 HWATWANNENZESG-NVNXTCNLSA-N 588.763 4.684 0 40 KJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 408652689 GSQISYVIMWYNDX-GFCCVEGCSA-N 544.627 4.708 0 40 KJAB Cc1c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc(Br)c1Cl 408662000 WREHOFMFCVMVRJ-LBPRGKRZSA-N 544.627 4.708 0 40 KJAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccccc1 408680281 QOAYMUPGSWGVQP-UHFFFAOYSA-N 555.600 4.691 0 40 KJAB Cc1c(Br)ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1C 408681982 JXQRRKFMNQMOJV-CIDHXGGFSA-N 587.470 4.828 0 40 KJAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408683086 HISZBBVKQKVXKV-MTFBUDRBSA-N 564.638 4.678 0 40 KJAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1)Nc1cc(C(F)(F)F)ccc1Cl 408691465 ZZFQYIOKZSPWTM-IRXDYDNUSA-N 508.880 4.834 0 40 KJAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1 408700643 JJXFXUPMIBCLKV-QFIPXVFZSA-N 534.122 4.530 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc(F)cc4)c3)c(=O)n2[C@@H]1c1cccs1 408768785 KIHATQZQIWQOAP-LWUPDDLQSA-N 534.634 4.578 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)C)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 408921178 AIFMULVKLCPYGH-QARYAGPDSA-N 615.546 4.755 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 408948291 RBXUTQOSBCAJFM-ODQAYVFVSA-N 645.112 4.803 0 40 KJAB COc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1 409076966 CTOAGHXIZSSMJZ-UHFFFAOYSA-N 553.862 4.949 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Sc4ncccn4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409100168 SUTXLWYPHZEOKF-UBXANZILSA-N 629.583 4.817 0 40 KJAB Cc1c(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 409129256 KOPSVFBLOPHXLC-OEAKJJBVSA-N 510.015 4.547 0 40 KJAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc(SCC(=O)Nc2ccc(C(=O)O)cc2)n[nH]1 409166426 DRMOSXJIIXVVPU-GOSISDBHSA-N 522.414 4.668 0 40 KJAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 409222040 BJLFWQSKODXAHT-RUZDIDTESA-N 538.113 4.675 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Br)c1OCc1ccccc1 409222587 CDNVWNFJGIJABY-HYARGMPZSA-N 580.435 4.967 0 40 KJAB O=C(CN1C(=O)S/C(=C\c2ccc(I)cc2)C1=O)Nc1ccc(F)c(Cl)c1 409227448 YSTOLXZSBKKOAD-CHHVJCJISA-N 516.719 4.759 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 409241142 JABSMLOOQBMAOU-FYJGNVAPSA-N 549.443 4.938 0 40 KJAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 409350793 SNEPSJCSRWEHAH-UHFFFAOYSA-N 503.045 4.906 0 40 KJAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(I)c(OC(C)C)c(OC)c3)C2=O)o1 409387928 YPOKYPGCBOSWKY-RQZCQDPDSA-N 557.362 4.703 0 40 KJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1S(=O)(=O)Nc1ccccc1 409410245 UHKJBKCMDGDSCV-UHFFFAOYSA-N 527.668 4.613 0 40 KJAB CSCC[C@H](NC(=O)CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O 504231069 VBFWCPMYEUWENW-DJCHYWMZSA-N 521.720 4.613 0 40 KJAB CCCCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cc4cc(F)ccc4n3C)CCO2)C1=O 643556883 QOZBBZCLTGYHDK-HKBQPEDESA-N 535.660 4.963 0 40 KJAB COc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC(=O)N[C@H]2CCCC[C@@H]2C)cc1 907109 YWDNNOFKLPBNPT-KKSFZXQISA-N 512.705 4.762 0 40 KJAB CC(=O)Nc1ccc(N(C(=O)[C@H]2COc3ccccc3O2)[C@@H](C(=O)NC2CCCCC2)c2ccco2)cc1 931041 VAVCAVWWKKNQBF-KAYWLYCHSA-N 517.582 4.601 0 40 KJAB CC(C)c1ccc(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 934003 ZPVMWYWUKMYPNZ-AREMUKBSSA-N 542.723 4.658 0 40 KJAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)CSc1nc(O)c(Cc3ccc(Cl)c(Cl)c3)c(=O)[nH]1)CC2 1318381 JIRLDNPBWQMFMK-CYBMUJFWSA-N 550.464 4.628 0 40 KJAB biogenic Cc1ccc2cc(CN(Cc3ccc(F)cc3)Cc3nnnn3Cc3ccc(F)cc3)c(=O)[nH]c2c1C 1372872 IHTUHUTWRHPSJY-UHFFFAOYSA-N 500.553 4.660 0 40 KJAB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1 1418933 OVGNZEXJZWLJGT-PMERELPUSA-N 567.577 4.717 0 40 KJAB O=C(OC[C@H]1[C@H](COC(=O)c2ccc(Br)o2)C1(Cl)Cl)c1ccc(Br)o1 1462597 YABIOSTVNKSLIV-YUMQZZPRSA-N 516.953 4.831 0 40 KJAB CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccc4c(c3)OCO4)C(=O)N12)C(=O)Nc1cccc(C)c1 2968661 KGHXMINWWNGWFW-ZEQKJWHPSA-N 583.670 4.539 0 40 KJAB COc1ccc2c(c1)c(CC(=O)Nc1ccc(S(=O)(=O)N3CCOCC3)cc1)c(C)n2C(=O)c1ccc(Cl)cc1 3215715 SAUXFORUHKEBRU-UHFFFAOYSA-N 582.078 4.502 0 40 KJAB COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)c(Br)c3)cc2)nc(OC)n1 8400354 ZLBBBLFFAGFMTB-UHFFFAOYSA-N 549.447 4.607 0 40 KJAB COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2-c2cccc(C)c2)cc1 9368994 DYLLKFVBVWATNW-UHFFFAOYSA-N 501.612 4.554 0 40 KJAB CCOC(=O)c1c(NC(=O)CSc2ncnc3c2cnn3-c2ccc(OC)cc2)sc2c1CCCC2 12643570 DIGLFDKUJNRABG-UHFFFAOYSA-N 523.640 4.672 0 40 KJAB O=C(c1ccc(C(F)(F)F)cc1)n1c(=O)oc2c(I)cc(I)cc21 12957542 NSTYZTYUNWTFJK-UHFFFAOYSA-N 559.019 4.511 0 40 KJAB COc1cccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)c1 13028585 SNLPNPZZGGGJLW-LJAQVGFWSA-N 511.626 4.659 0 40 KJAB CCCCCCn1c(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccc(Cl)cc1 13116956 NPWDZAQDVXBDII-MRXNPFEDSA-N 522.096 4.946 0 40 KJAB Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3cccc(OCc4ccccc4)c3)nn12 14274290 JERPVUUOECWYFN-UHFFFAOYSA-N 500.609 4.867 0 40 KJAB CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)nc1-c1ccccc1 17297444 IJOCZZCNCZBLNA-HDICACEKSA-N 527.668 4.906 0 40 KJAB Cc1cc(C)cc(Oc2coc3cc(OC[C@H](O)CN4CCN(Cc5ccccc5)CC4)ccc3c2=O)c1 19912306 UWQWNFXKMIUMEX-RUZDIDTESA-N 514.622 4.760 0 40 KJAB Cc1cc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccccc4F)CC3)c(=O)[nH]c2cc1C 19940779 CJQRBMVLRWJGST-MHZLTWQESA-N 515.637 4.687 0 40 KJAB O=C(CSc1ncc2c(n1)-c1ccccc1N(Cc1ccccc1)S2(=O)=O)Nc1cccc(F)c1 20982435 FVWAVLJKHZGODT-UHFFFAOYSA-N 506.584 4.722 0 40 KJAB COc1cc(C(=O)Nc2c(F)cccc2F)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 22254056 RIECEOVFBGTFDJ-UHFFFAOYSA-N 510.946 4.854 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2cc(Cl)ccc2OC)cc1OC 22278484 CDLBSOVKGVIAQV-UHFFFAOYSA-N 519.019 4.817 0 40 KJAB COc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1 28627815 BSNQKARUTYXUOE-ZMIGGIFCSA-N 516.022 4.536 0 40 KJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 59882267 YVINZFWYDXCDLC-UHFFFAOYSA-N 549.674 4.938 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)S(=O)(=O)c2ccccc2)c1 59883096 GNGMFELYYAOIOJ-UHFFFAOYSA-N 625.725 4.656 0 40 KJAB Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)S(C)(=O)=O 59883341 VOOFSLYKSAJPBY-UHFFFAOYSA-N 542.466 4.507 0 40 KJAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 60028859 LMUDIGNIVSQBOM-UHFFFAOYSA-N 600.546 4.907 0 40 KJAB C[C@H](CCC(=O)Nc1nc2c(s1)CCC2)[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 79193255 SATUUSNIOCAQFY-XETBLDCYSA-N 530.775 4.948 0 40 KJAB biogenic C=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](O)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@@H](C)C[C@H]2OC 85599311 QJJXYPPXXYFBGM-PHDYTFMESA-N 804.031 4.639 0 40 KJAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Oc1ccc(/C=c2/sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)cc1 101337689 UVMCVSIYYJVHLQ-DSGYZYTBSA-N 570.454 4.708 0 40 KJAB CC(C)[C@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 101503832 LTXVSCVJHDCNGT-XTGAJNFRSA-N 545.426 4.683 0 40 KJAB CC[C@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)n1Cc1ccccc1)N(C)C 102895263 GCHRASSKSQPLPL-TVZXLZGTSA-N 584.812 4.737 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(COc4ccc(F)cc4F)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 103252616 XKSZFRZVIQHVCH-IPAKXIGBSA-N 606.647 4.673 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=S)NC(=O)c3ccc(C)c(C)c3)CC2)cc1 104085079 HBXZAGXAQFZKHA-UHFFFAOYSA-N 557.141 4.903 0 40 KJAB C/C(Cl)=C\CON1C(=O)[C@@H]2[C@H]3O[C@@H]([C@@H]4[C@@H]3[C@]3(Cl)C(Cl)=C(Cl)[C@]4(Cl)C3(Cl)Cl)[C@@H]2C1=O 104085384 HDLFOSIMULSIKY-BPBPXBMZSA-N 542.457 4.521 0 40 KJAB COc1cc(C(=O)Nc2ccc3nc(NC(=O)c4cc(OC)c(OC)c(OC)c4)sc3c2)cc(OC)c1OC 105220515 WETCTROWNSYWHE-UHFFFAOYSA-N 553.593 4.853 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)N1CCOCC1 106716930 BELUCEYTLJBMAT-XKZIYDEJSA-N 551.448 4.866 0 40 KJAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@H](CCSC)NC(=O)c1ccc(OC)cc1 108082372 MFSCCVQJIIYYHO-IBGZPJMESA-N 564.133 4.924 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NCCc3ccco3)c(=O)cc1[C@@H](NC(C)=O)CC2 108450788 ZZEPJVBOHSXQDY-BDYUSTAISA-N 591.705 4.642 0 40 KJAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCC)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 109916002 YBHYJCKROMTSAV-GVMLUORFSA-N 571.095 4.646 0 40 KJAB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)c(C)cc1Br 138870532 ZOTLMHVGEFFMJD-UHFFFAOYSA-N 533.419 4.779 0 40 KJAB Cc1ccc(CN(C(=O)CCCN2C(=O)c3ccccc3C2=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 222577726 LOXIDDITSVLMFP-LJAQVGFWSA-N 539.676 4.784 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 222714189 QYARDHTUMDNXER-DEOSSOPVSA-N 627.388 4.908 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 222725417 AFKMLJXDQGOPPW-MHZLTWQESA-N 574.118 4.657 0 40 KJAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N1c2ccc(Br)cc2C[C@H]1C 222765856 HQBWUUBZQIIXFS-QGZVFWFLSA-N 521.477 4.725 0 40 KJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 222917309 PYSPCHYIHZIKGQ-HNNXBMFYSA-N 593.371 4.854 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 223097569 UZTNLENZXJKVLD-VWLOTQADSA-N 535.710 4.832 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223186224 NCOZTYQCGBXBDK-QFIPXVFZSA-N 536.138 4.837 0 40 KJAB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 223334939 PFTIIJXRLAVCMW-DEOSSOPVSA-N 566.482 4.881 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 223518948 VHBAKZUVXMVGER-SANMLTNESA-N 620.997 4.953 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O 223562093 ZVKRDPJLTKKEQI-HHHXNRCGSA-N 600.579 4.554 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 223569855 AVVHCWSTWFULPN-KPURRNSFSA-N 598.165 4.863 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 223600484 FGNXHXKRYLJBGQ-JOCHJYFZSA-N 542.101 4.706 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223624043 AICMUQMPUXAIJW-SANMLTNESA-N 545.746 4.580 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 223643778 XRBOIYQTMZJPOJ-NRFANRHFSA-N 561.626 4.763 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 223848336 DTJJORKEZOUXIG-HXUWFJFHSA-N 590.515 4.727 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 223891864 OHZDMPDRIBDOPU-JOCHJYFZSA-N 586.552 4.896 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 223927221 FEGZRIATEHTKBA-LJQANCHMSA-N 608.544 4.759 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 224087303 HGAKXLRAWGHVOH-HHHXNRCGSA-N 647.579 4.532 0 40 KJAB Cc1cc(C)cc(OCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)c1 224114705 YOEBJAVWSPOFOW-UHFFFAOYSA-N 503.045 4.739 0 40 KJAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)c2ccccc2)cc1 224125294 SNWTUELRQXJTAY-VWLOTQADSA-N 565.736 4.779 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 224127347 LFSWCVNPMMQLIJ-NRFANRHFSA-N 616.578 4.985 0 40 KJAB COc1ccccc1[C@@H](C)NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 224431311 WHAGJBUKGNSXIF-GOSISDBHSA-N 517.445 4.839 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 224492978 WVSNAPLMPFCWGM-FQEVSTJZSA-N 548.920 4.665 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224537477 VBRITCBBWFMOLY-HHHXNRCGSA-N 599.725 4.618 0 40 KJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 224742319 DBJFVMBTRHAOEB-NDEPHWFRSA-N 553.700 4.909 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 224786748 INFLVAMKOWWPGT-OAQYLSRUSA-N 560.091 4.926 0 40 KJAB CCc1ccc(OCCNC(=O)CCCN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 224847492 NGTKGQALZMGJTH-UHFFFAOYSA-N 506.974 4.663 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 224854453 QTBMUPCIZYUUHE-XMMPIXPASA-N 553.700 4.890 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(I)cc1 224953459 JEGUAXXBFPVPFN-RUZDIDTESA-N 574.434 4.974 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C)c2cccc(C(F)(F)F)c2)cc1 225026960 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4.742 0 40 KJAB COc1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)c(OC)cc1Cl 20004857 RMWRTPDBMAIDFG-QFIPXVFZSA-N 517.047 4.811 0 40 KJAB CCOc1ccc(NC(=O)c2ccccc2NC(=O)COC(=O)CCCOc2ccc(C(C)=O)cc2)cc1 32910648 ROAWSRGUDJIBIQ-UHFFFAOYSA-N 518.566 4.881 0 40 KJAB CCc1ccc([C@@H]2[C@H](C(=O)OCc3ccccc3)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OCc2ccccc2)cc1 35165510 GKIPAPMKVIHATA-FATKCUQPSA-N 500.591 4.776 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 66124108 ODVSFTLQLIGOFB-KOBOZNMDSA-N 620.639 4.623 0 40 KJAB O=C(Nc1ccc(Cc2ccc(NC(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2)cc1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 70665805 QCLBQLGFAMGFRW-QPDVFSJASA-N 630.749 4.903 0 40 KJAB COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@H]4c2cc3cccc4c3n(c2=O)CCC4)cc1 85880066 PKJIIZKXQLRTBA-FQEVSTJZSA-N 521.525 4.876 0 40 KJAB biogenic Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/NC(=O)c3ccccc3)C(=O)N[C@@H](C)C(=O)OCc3ccccc3)cc2)cc1 97968829 RNMHEQBGZSVNBM-YBMXKYEKSA-N 598.677 4.782 0 40 KJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCc1cccc(C(=O)O)c1 100275525 QRYIGXPAVBITAB-ZVHZXABRSA-N 532.574 4.956 0 40 KJAB COc1ccc(OC)c([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)c1 100363815 SCZYPMXYLNWQBD-LJAQVGFWSA-N 545.615 4.811 0 40 KJAB O=C(CN(C(=O)Cn1nnc(-c2ccccc2F)n1)c1ccc(Cl)c(C(F)(F)F)c1)NCCc1ccccc1 100458755 GZVOVEBLYDORHY-UHFFFAOYSA-N 560.939 4.544 0 40 KJAB O=C(Nc1nc2ccccc2n1CCN1CCCCC1)C12C[C@H]3C[C@H](C1)CC(n1cnc(Br)n1)(C3)C2 101115125 STDAPKGDHURKNT-KDGKYOGISA-N 552.521 4.810 0 40 KJAB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1Cl)[C@@H]1CCCN1[C@@]21c2ccccc2-n2c1nc1ccccc1c2=O 101508696 LACKUSYFZIZRCA-OODISRMCSA-N 543.410 4.533 0 40 KJAB CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(OCC)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC 102759564 YRKQSZPBURBSRY-KWXIBIRDSA-N 502.567 4.934 0 40 KJAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)NCCCCCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 103520507 AFULRSYXYZZCLS-UVMFRMCBSA-N 574.718 4.901 0 40 KJAB biogenic COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4cc5c(cc4Br)OCO5)c(=O)n31)c1ccccc1CC2 104655386 BXOHCDHJPYUCSS-CCVBWGSMSA-N 573.468 4.819 0 40 KJAB COc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3cccc4ccccc34)n2C)C(C)C)cc1 108250219 MCFUIKAEZVLOON-XMMPIXPASA-N 503.628 4.835 0 40 KJAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1[C@H](CCSC)NC(=O)c1ccc(OC)cc1 108991972 BLZAANVDRWXSNK-QFIPXVFZSA-N 527.716 4.878 0 40 KJAB CCCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C(=O)OCCCC)cc3)CC2=O)cc1 138773434 AFCGNGAWHOHFIM-HSZRJFAPSA-N 552.624 4.525 0 40 KJAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(=O)cc1[C@@H](NC(C)=O)CC2 150653178 IZELNRKLGZDRKP-AZIXZEHSSA-N 670.807 4.643 0 40 KJAB biogenic CCOC(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1Cl 215958501 JZUDCKMTFGFSBN-UHFFFAOYSA-N 533.002 4.611 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCc1ccc(OC)c(OC)c1 222633869 ACXGEYHDDRHKEJ-DEOSSOPVSA-N 539.470 4.785 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 222709461 BSJYRZOVOBPVIE-SANMLTNESA-N 576.546 4.762 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 222842013 ZIKJBGXNDKCOQZ-HKBQPEDESA-N 585.726 4.585 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 223032445 LNJRLCBUGGCWJD-DEOSSOPVSA-N 565.736 4.839 0 40 KJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 223321286 IHUXHXQDFRAYNF-OAQYLSRUSA-N 548.920 4.746 0 40 KJAB Cc1ccc(-c2nnc(NC(=O)[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)c4cc(C)ccc4O3)s2)cc1 223470469 JELVXMIRKQHUIL-HSZRJFAPSA-N 520.636 4.725 0 40 KJAB COc1ccc(-c2nnc(NC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccccc3)s2)cc1 223891472 VCPAFSABPXYMIN-UHFFFAOYSA-N 515.016 4.701 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 223988750 LFZTWMQUOWNRSP-MRXNPFEDSA-N 560.931 4.889 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 224136610 RRBVATDRCJBRSG-JOCHJYFZSA-N 540.513 4.626 0 40 KJAB Cc1cc(C)cc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 224203897 JOWQXCPWSGONLU-LJAQVGFWSA-N 563.764 4.933 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224462337 AFVRLBYCPFNFAQ-QHCPKHFHSA-N 569.699 4.528 0 40 KJAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 224617350 GGMMNTWXVWWQNF-MHZLTWQESA-N 556.128 4.830 0 40 KJAB Cc1cc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)ccc1Br 224718897 ZPEWHZHQGZSLCZ-SFHVURJKSA-N 629.415 4.762 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 224723197 GVOZPRKMMAVZJV-VWLOTQADSA-N 535.710 4.751 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(I)cc1 224734254 UAGZTXLPQINGTI-OAQYLSRUSA-N 542.845 4.903 0 40 KJAB CCOc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1CN(C)S(=O)(=O)c1ccccc1 224819111 WTJATTIMZUWZCF-UHFFFAOYSA-N 561.626 4.887 0 40 KJAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224864026 ZQXBYFXAZZNGEB-HHHXNRCGSA-N 614.164 4.780 0 40 KJAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 225054248 UDLIFBJVZQRIHK-RUZDIDTESA-N 595.762 4.502 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 225145070 PQNPDYNMCJNMMW-NRFANRHFSA-N 534.122 4.752 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 225179302 FBQXXUITESZKBA-HHHXNRCGSA-N 581.735 4.541 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCOc1ccc(OC)cc1 225221463 KNYNMSKCBLPZRQ-LJQANCHMSA-N 505.453 4.950 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 225358622 RWOZKDOIMCBAKJ-QHCPKHFHSA-N 542.529 4.728 0 40 KJAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)cc1 225402217 VPNBBZMULUTFDQ-LOSJGSFVSA-N 503.653 4.729 0 40 KJAB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 225659562 ZQLXHQMVDBVPPJ-QFIPXVFZSA-N 542.101 4.725 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c2ccc(C)c(C)c2)cc1 225685801 RBWZVFNPGJBAPB-SANMLTNESA-N 549.737 4.792 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 225729706 MBFXZAHSCRDJSA-LJAQVGFWSA-N 565.736 4.839 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3cc(Br)ccc32)Cc2ccccc2)cc1C 226046064 COPMEIKSEPECCT-UHFFFAOYSA-N 529.456 4.546 0 40 KJAB CCc1cc(Br)cc(CC)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 226048577 OAMHDLKYBUSSOD-SFHVURJKSA-N 509.466 4.622 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC)S(=O)(=O)c2ccc(F)cc2)cc1 260758700 MABHHCGQTRMGAX-WJOKGBTCSA-N 621.706 4.945 0 40 KJAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC)S(=O)(=O)c1ccccc1 260765993 UXXSAMGOAHZEAF-SSEXGKCCSA-N 603.716 4.806 0 40 KJAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)Oc3cc(C)ccc32)cc1 260790706 GPADUJCKGISGSY-JOCHJYFZSA-N 557.053 4.771 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 260792231 NSGOXJJWMILMRF-OAQYLSRUSA-N 557.663 4.801 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 260871898 KVNUASQXILMDTE-SSEXGKCCSA-N 593.790 4.923 0 40 KJAB COc1cccc(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 260922115 MRUJLNKAHIMMJD-WJOKGBTCSA-N 591.774 4.859 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1OC 260932358 PPMAZDGLLIABRV-SSEXGKCCSA-N 621.800 4.867 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1 260952404 KCQNETXJBKFXJP-QGZVFWFLSA-N 562.054 4.765 0 40 KJAB Cc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1 260982643 LQDYUHCAOKRJIQ-HSZRJFAPSA-N 551.684 4.806 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 260988156 PJVXPAQTAGJKIU-YWEHKCAJSA-N 595.762 4.930 0 40 KJAB O=C(NCc1ccc2c(c1)OCO2)C(=O)Nn1c(C(=O)Nc2ccc(Br)cc2)cc2cc(Br)ccc21 408574123 CIJJDJSADDHRBK-UHFFFAOYSA-N 614.250 4.534 0 40 KJAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1Cl 408642153 DPAODOMYGPPFGN-SPDQCEQOSA-N 505.785 4.918 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Br)cc3)c(C)c2)cc1 408675292 UVZLDLUXBAGNBQ-UHFFFAOYSA-N 519.417 4.975 0 40 KJAB C[C@H](NC(=O)COC(=O)[C@H](C)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccccc1 408681458 FHIYKJUWWXTVSL-UWVGGRQHSA-N 518.180 4.705 0 40 KJAB CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1OCC 408695713 XSDNTOYZAQIHFT-UHFFFAOYSA-N 555.472 4.848 0 40 KJAB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4c(C)[nH]c5ccccc45)c(=O)n32)cc1 408924126 QIBNIMKSSKLAJG-CBYYHRJHSA-N 517.676 4.698 0 40 KJAB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc(Cl)c1OC 408924144 QLKJMRIOWYDEPA-AFHVAHMMSA-N 547.460 4.511 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O[C@@H](C)CC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408943440 SOASONSSGXHUDZ-ZKOQCOAESA-N 564.704 4.771 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4c(O)ccc5ccccc45)c(=O)n32)c(OC)c1 408980365 VVOQLERMYBMZRQ-UNDLXJOSSA-N 577.662 4.750 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409034765 OBEKUSFSLTUZBI-PMYQURGISA-N 683.758 4.891 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409081387 PVBQLQVFGVMCIT-YLVTVWEBSA-N 636.362 4.731 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1O[C@@H](C)CC 409198434 AOXFUSIODKEMCX-OHHQFBAHSA-N 512.584 4.709 0 40 KJAB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1 409245450 SZXJQGDZRRGPER-CIAFOILYSA-N 537.366 4.828 0 40 KJAB 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CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 225044763 LCHHAROCNSAKMJ-QHCPKHFHSA-N 556.128 4.830 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 225320349 ZHNULYIBOBNDCG-NRFANRHFSA-N 640.371 4.698 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 225478955 FSOSEJMIGVSRJJ-UKILVPOCSA-N 515.720 4.572 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 225498562 OSMVTZFHWOGVPL-PMERELPUSA-N 555.700 4.576 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2nnc(SCc3ccccc3)s2)S(=O)(=O)c2ccccc2)c1 225515286 WGANEXYZCTUOGA-UHFFFAOYSA-N 556.691 4.682 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1OC 225662638 RHQCPDXCQDIKKQ-IZLXSDGUSA-N 527.650 4.891 0 40 KJAB CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 225665249 KDSSYQBIKYWVBB-MRXNPFEDSA-N 548.920 4.602 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 225723046 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Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CCCN(Cc3cnn(Cc4ccccc4)c3)C2)ccc1Cl 257227202 FOCBMVDCTMXDGY-HKBQPEDESA-N 550.147 4.719 0 40 KJAB O=C(C[C@]1(COc2ccc(Cl)cc2)CCCN(S(=O)(=O)c2ccc(F)cc2F)C1)N1CCCCC1 257246730 IVORFAOSQNROQX-RUZDIDTESA-N 527.033 4.871 0 40 KJAB Cc1cc(OC[C@]2(CC(=O)N3CCC(O)CC3)CN(Cc3cccc(Cl)c3)CCO2)cc(C)c1Cl 257300641 RVDZKLKKMKUUST-MHZLTWQESA-N 521.485 4.634 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)cc1 260730607 KAAWDNUSEFKQAG-RUZDIDTESA-N 565.736 4.758 0 40 KJAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)CC3)C1 260749308 USPVKJCFIWJOJT-QFIPXVFZSA-N 598.121 4.990 0 40 KJAB Cc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 260792135 NJQWJBLDNSSTFH-XMMPIXPASA-N 535.710 4.565 0 40 KJAB Cc1ccccc1CN(C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)[C@H](C)C(=O)NC1CCCCC1 260811455 SCOBPFYEEZBZIK-HSZRJFAPSA-N 527.731 4.751 0 40 KJAB CCc1ccc(N(CCCC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 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523.051 4.735 0 40 KJAB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)cc1 408638028 BNMFPPKXKLSYDY-DNQXCXABSA-N 595.073 4.831 0 40 KJAB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 408641988 LTRFHZCNLUATPH-LJEFQITFSA-N 539.415 4.684 0 40 KJAB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)c1 408642512 DYPKJCYHKZZFKW-ZEQRLZLVSA-N 573.001 4.759 0 40 KJAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 408694157 CZGACBHHVGOSIE-KRWDZBQOSA-N 554.115 4.550 0 40 KJAB CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)C1 408978149 KUFRUWRBKJRTKF-GOSISDBHSA-N 501.660 4.897 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)cc(I)c4O)c(=O)n32)c(OC)c1 408981125 ZTKCQFILSOPFKT-UTWPHBJQSA-N 779.394 4.806 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408985615 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CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 225310131 ZSNAULGNYYUKBW-RUZDIDTESA-N 564.148 4.679 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 225364316 IHJDIOQSFRIPLA-GDLZYMKVSA-N 539.676 4.928 0 40 KJAB CC(C)c1nc(Cc2ccc(NC(=O)COc3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)cc2)no1 226086557 GAJRGYQAVUNQCY-UHFFFAOYSA-N 546.649 4.943 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 260875542 GNOFSFKBFFAQRS-JOCHJYFZSA-N 587.689 4.748 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)c2ccccc2)cc1 260927996 HJCBVAKOEFAZDB-XMMPIXPASA-N 535.710 4.831 0 40 KJAB Cc1ccc(CN(C(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 260934331 LWXRDTRTMNEJAC-SSEXGKCCSA-N 563.764 4.790 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 260935401 IEHOIZXTBMHHKN-OUTSHDOLSA-N 565.736 4.921 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 260960998 LBERVRNYQDNREJ-NGQVCNFZSA-N 595.762 4.930 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1OC 261012108 UMIBPPMOMMHNPP-JOCHJYFZSA-N 599.725 4.679 0 40 KJAB Cc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(F)cc3)cc3cc(Br)ccc32)cc1 408572925 BYHGUHIXIBJLRB-UHFFFAOYSA-N 509.335 4.812 0 40 KJAB COc1ccccc1OCc1nnc(SCC(=O)Nc2cc(Br)ccc2Br)n1C 408596595 SHBWFQSJVFQPKV-UHFFFAOYSA-N 542.253 4.659 0 40 KJAB COCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 408629723 GXTSBZGEAYTZGO-UHFFFAOYSA-N 584.016 4.959 0 40 KJAB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1 408648111 JPSFPJYAHAJTCA-LNYGVPGBSA-N 585.012 4.615 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc5c(c4)OCO5)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408769811 PFBOIUANZYQQQK-CRVZZPNQSA-N 693.572 4.886 0 40 KJAB CCOC(=O)COc1c(Br)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 408836514 SBKWMCDVYNHINS-AOLPSBPOSA-N 663.974 4.555 0 40 KJAB CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409018182 YDTRBIOAADYAEV-FYJGNVAPSA-N 601.372 4.944 0 40 KJAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)ccc3O[C@@H](C)CC)c2=O)=N1 409038794 FRDBXVPVUZXGFN-FFJULPRVSA-N 555.494 4.738 0 40 KJAB CCN1CCN(C(=S)c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)CC1 409269139 FVYBPBDIRYGVRC-UHFFFAOYSA-N 540.911 4.750 0 40 KJAB O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1F)c1ccc(Cl)cc1 409382764 QOGYRYSBSSSSGB-WOJBJXKFSA-N 520.296 4.607 0 40 KJAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1OCc1ccc(C(=O)O)o1 409385123 JJOCCBWVRUFXRI-FMCGGJTJSA-N 536.562 4.857 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4cccc(C(=O)O)c4)c(Br)c3)C2=O)o1 409398004 AUJZAIQJPWPDGZ-GRSHGNNSSA-N 634.233 4.961 0 40 KJAB COc1ccc(CCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 409411281 VVMKYZHSKHVHSA-UHFFFAOYSA-N 507.439 4.865 0 40 KJAB O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc2c(c1)Cc1cccc(c1)CN(Cc1ccccn1)CCOCCO2 643579908 KNZQCSWUCDVMIV-UHFFFAOYSA-N 606.767 4.846 0 40 KJAB COc1ccc(CNC(=O)C[C@@H]2N=C3c4ccccc4N=C(SCC(=O)Nc4ccc(C(C)C)cc4)N3C2=O)cc1 2968435 IMVWMNXLCXHPCX-SANMLTNESA-N 569.687 4.856 0 40 KJAB COc1ccc(CNC(=O)CSc2nnc([C@@H](C)N3CCCCC3)n2-c2ccc(Cl)cc2)cc1 3326000 YLGREXVHBOLNKW-GOSISDBHSA-N 500.068 4.885 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)C45CC6CC(CC(C6)C4)C5)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 8406998 GVFCVAJYJGHNIK-UQWYVUNQSA-N 642.774 4.937 0 40 KJAB COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)CN2N=N[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@@H]32)cc1 8454937 LPNBEHPHBADNRB-DMTNHVFBSA-N 621.879 4.782 0 40 KJAB COc1ccc(NC(=O)C2(N(Cc3ccccc3C)C(=O)CN3C(=O)C(=O)c4ccccc43)CCCCC2)cc1 8712745 BZBOQZICSHWEBR-UHFFFAOYSA-N 539.632 4.903 0 40 KJAB COc1cc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)cc2)ccc1-n1cnnn1 8829384 NYVYBYFREXPLSM-MUUNZHRXSA-N 544.681 4.807 0 40 KJAB 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CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 224724048 IXDIYSRTOVHSAT-JOCHJYFZSA-N 572.127 4.796 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 224867049 XGOWSXGEYGAVFZ-SFHVURJKSA-N 587.545 4.612 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 224893026 QTYYGRKERWTXLH-MRXNPFEDSA-N 548.920 4.665 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 225079570 LEVOBUWEYXJMBH-LJAQVGFWSA-N 565.736 4.923 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 225157096 AAIPKKGCHJTYED-HXUWFJFHSA-N 536.138 4.737 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 225177448 GXACLGPZMUWQLI-FGZHOGPDSA-N 602.153 4.885 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(Br)cs2)cc1 225205496 JVKVIUIUTHFBJM-WOJBJXKFSA-N 503.447 4.668 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 225363611 IOCYBEWEZXTIGY-FGZHOGPDSA-N 602.153 4.885 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 225387011 ZKGAKTLKZQDOGK-FGZHOGPDSA-N 602.153 4.885 0 40 KJAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 225454650 FBXFGPUQHRXYIF-HXUWFJFHSA-N 604.592 4.838 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 225471750 LJCYVPADMRKLMI-NEKDWFFYSA-N 551.709 4.613 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 225529500 WYHANJJOYORVSI-MHZLTWQESA-N 630.605 4.780 0 40 KJAB COc1ccccc1Cn1c(SCc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)nc2ccccc2c1=O 225531509 YNHNULHJTFVWLA-UHFFFAOYSA-N 546.605 4.822 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)c2cc(C)cc(C)c2)cc1 225579441 YIQIRSBBRVPJAI-DEOSSOPVSA-N 553.700 4.888 0 40 KJAB 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CCOc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)Nc2ccccc2F)cc1 408578491 VTHSENZWKNJCSN-UHFFFAOYSA-N 539.361 4.903 0 40 KJAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 408583986 LBSZKDBGCUMWID-UHFFFAOYSA-N 501.004 4.667 0 40 KJAB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 408641551 CQCXIXHVRBDABO-ZOCIIQOWSA-N 501.366 4.582 0 40 KJAB COc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)cc1 408683072 HINSYZIFIYYXBH-GMKZXUHWSA-N 512.562 4.564 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408701028 QHCVQHIWDQCOHK-UHFFFAOYSA-N 505.640 4.742 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 408826541 DSFGUSWPXOQAMC-FPWMYLJGSA-N 660.704 4.942 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)O)c4C)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408941119 PTRMDFYLVIMEHU-LCQSEVKBSA-N 586.666 4.852 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O[C@H](C)CC)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408943437 SOASONSSGXHUDZ-YOFCQVNTSA-N 564.704 4.771 0 40 KJAB CCc1cccc2c(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)cn(CC(=O)NC[C@H]3CCCO3)c12 409148218 XVCHDHBJXHFTDJ-TXUMJUCDSA-N 517.651 4.778 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)ccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 409192260 BYFWLNDKOXJEBW-KMBIYUNPSA-N 593.057 4.507 0 40 KJAB CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)cc1OC 409270380 FCGDPTUAGQQBFY-DJKKODMXSA-N 644.871 4.879 0 40 KJAB COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1I 409275101 YLFRBXVHCWZPQM-IUXPMGMMSA-N 542.782 4.937 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2)c2ccc(Cl)cc2)cc1OC 409370597 AWIDXOKSMUCXEY-UHFFFAOYSA-N 586.835 4.796 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(Sc4ccc(C)cc4)o3)C2=O)o1 409400713 QHTCIQWLQWMUGH-YVLHZVERSA-N 517.357 4.974 0 40 KJAB CCCCCC[C@H](C)C/C(C)=C\[C@@H](/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc(=O)c([C@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(O)o1)CO 1529050388 VMIZPSIJERGBNI-JSARNZPHSA-N 606.797 4.582 0 40 KJAB O=C1CS[C@]2(C(=O)N(CN3CCN(c4ccccc4)CC3)c3ccccc32)N1c1cccc(C(F)(F)F)c1 1065930 XDQDOXGOWSIIOD-HHHXNRCGSA-N 538.595 4.765 0 40 KJAB CCCc1cc(=O)oc2cc(OC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)ccc12 2092671 PLLUCEWMYNXAIN-RUZDIDTESA-N 505.592 4.549 0 40 KJAB biogenic CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)CC(=O)N32)cc1 2148759 WMPONKQYHQEEPD-QCDSWUKFSA-N 507.590 4.905 0 40 KJAB biogenic CCOc1ccc(-n2c(N)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3nc4ccccc4nc32)cc1 2330849 QETHDQUNNDNVGK-UHFFFAOYSA-N 533.592 4.605 0 40 KJAB CCOC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)sc2c1CCCC2 3178666 LGRRDBCMSAKIQY-UHFFFAOYSA-N 514.625 4.865 0 40 KJAB Cc1ccc(S(=O)(=O)N[C@H]2c3cccc4cccc(c34)[C@@H]2Sc2ncc(C(F)(F)F)n2N)cc1 6199023 BLCDNKKEZSBRMT-SFTDATJTSA-N 504.559 4.944 0 40 KJAB O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 8684400 GUGKIDSKXKWITI-UHFFFAOYSA-N 552.049 4.707 0 40 KJAB aggregator Cc1ccc(N(C(=O)CN2CCC(C(N)=O)CC2)[C@@H]2C[C@H](C)N(C(=O)c3ccco3)c3ccc(C)cc32)cc1 10383859 JKLHURUPANQDHA-WXVAWEFUSA-N 528.653 4.607 0 40 KJAB C[C@H](OC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 12546926 GQHNLPZWFVRAAK-FQEVSTJZSA-N 514.557 4.699 0 40 KJAB CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 13500512 UEWNZHBXTFNTJH-NDEPHWFRSA-N 526.641 4.997 0 40 KJAB C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 13781978 YOBMIXIISZAQGF-CAYVGHNUSA-N 516.442 4.813 0 40 KJAB in-vitro O=S(=O)(Nc1nc2ccccc2nc1NCc1ccc2c(c1)OCO2)c1ccc(Br)cc1 16757207 PLPVASJGUXKJPU-UHFFFAOYSA-N 513.373 4.534 0 40 KJAB COc1ccc([C@H](CC(C)C)NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)cc1 20459729 RXWUZLYHZLHOMG-VWLOTQADSA-N 526.655 4.811 0 40 KJAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(C)ccc2OC)cc1Cl 22269661 UTVIYVKXFIRPHX-QFIPXVFZSA-N 503.020 4.584 0 40 KJAB CSc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1C(=O)N1CCC(C)CC1 26118967 CETFKJSIXDKONC-UHFFFAOYSA-N 522.136 4.753 0 40 KJAB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccc2nsnc2c1 57313758 KEQQDOKCBGGOLR-UHFFFAOYSA-N 505.472 4.966 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3F)CC2)c2cc(Cl)cc(Cl)c2)cc1 59883072 XVZMKFBNOCDMJO-UHFFFAOYSA-N 536.456 4.985 0 40 KJAB COC(=O)c1ccc(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@H]4[C@H](C[C@H](O)[C@@]32C)[C@@]2(C)CC[C@@H](O)C[C@H]2C[C@H]4O)cc1 70666326 BMJUCCRDGCHIRL-FUTHKPMZSA-N 541.729 4.789 0 40 KJAB biogenic CC(C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)NCc1c(F)cccc1Cl 70701642 NJLPNPCTXLCDHE-NSVAZKTRSA-N 559.041 4.888 0 40 KJAB biogenic COc1ccc(-n2c(/C=C3\C(=O)N(C)c4ccccc43)nc3ccc(I)cc3c2=O)cc1 97968765 ZELXFTISOBZFII-RGEXLXHISA-N 535.341 4.516 0 40 KJAB C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCCN3C(=O)S/C(=C\c4ccccc4Cl)C3=O)ccc2Cl)C1 97980369 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565.629 4.685 0 40 KJAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c2)cc1 104826454 PCXMRLHRBWNISJ-STSNNJBMSA-N 552.693 4.956 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 105498397 CJNSCOOEWZKBPC-JAORQVBISA-N 531.859 4.523 0 40 KJAB CCOC(=O)C1CCN(C(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)CC1 112254084 IQCWRIGIWFYFEG-UHFFFAOYSA-N 555.524 4.911 0 40 KJAB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 136542619 ZHEZLIMAHCDETO-DURBRWELSA-N 562.670 4.806 0 40 KJAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 215971282 HYUMJWZRMMMNTI-UHFFFAOYSA-N 566.101 4.705 0 40 KJAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3C[C@H](C(=O)NCc4ccccc4)Oc4ccccc43)c(C)c2)cc1 222763609 WZNNSURYQYCBSZ-SSEXGKCCSA-N 585.682 4.594 0 40 KJAB Cc1cc(C)cc(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 222857855 PMKARBDGCXSJBU-NRFANRHFSA-N 536.138 4.835 0 40 KJAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 222909061 NRWKTLIXDYKOFC-NDEPHWFRSA-N 535.710 4.565 0 40 KJAB C[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)CCCC2 222928872 AMHUHMVQIHRCCK-LJQANCHMSA-N 524.614 4.548 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 222997610 HXAHNRLGYKSVNN-OAHLLOKOSA-N 548.920 4.745 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 223034420 UBSXBYQBNPQCPV-DEOSSOPVSA-N 595.762 4.848 0 40 KJAB COCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 223096736 CEMNIWFEPLDBKM-HKBQPEDESA-N 626.219 4.850 0 40 KJAB COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 223103915 VXYKSAJRNWDUIZ-DEOSSOPVSA-N 565.736 4.573 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 223217534 OPDCIHIYMMADSM-LJAQVGFWSA-N 549.737 4.626 0 40 KJAB COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)[C@H](Cc2ccccc2)C(=O)NCc2cccnc2)cc1 223248769 CTQCUFFQMFGNDU-GDLZYMKVSA-N 553.659 4.606 0 40 KJAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C(=O)NCCCOC(C)C)c2ccccc2)cc1 223309765 DUNJXNRKEJXKMP-HKBQPEDESA-N 579.763 4.619 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 223453108 VFAFZSIBZOIKID-QCDSWUKFSA-N 563.764 4.878 0 40 KJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 223694031 LPFWVRVHANUKPI-JOCHJYFZSA-N 542.529 4.524 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 223697252 VMPXIOAIBGYMQW-SANMLTNESA-N 529.747 4.882 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 223748914 ICTKGJCCAZYJBB-SKCUWOTOSA-N 543.639 4.757 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Br)cc1 223764267 CFHXMQHPYWRKNZ-RUZDIDTESA-N 525.443 4.613 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 223847065 ZATXLRRYQHXCQL-QFIPXVFZSA-N 568.523 4.642 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 223990007 ZELVQOJDYUENKQ-LYZGTLIUSA-N 604.144 4.809 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)c1 224061508 CCUHHKKFSIHBFS-QFIPXVFZSA-N 599.725 4.679 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c2ccccc2F)cc1 224086290 BXNBUMFGPAGQFL-DEOSSOPVSA-N 565.711 4.848 0 40 KJAB C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224096084 KBHHCHRWIHAVKM-HSZRJFAPSA-N 551.684 4.540 0 40 KJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(SC)cc1 224118574 CUDZGIYTTQEYGE-SANMLTNESA-N 583.776 4.946 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)c2ccccc2)cc1 224150154 VRCPMFYRELEAKC-VWLOTQADSA-N 535.710 4.688 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224344142 INGLXEQBELPKAT-AREMUKBSSA-N 593.643 4.777 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 224401452 NSOKRNOVAGRTCG-SANMLTNESA-N 574.118 4.800 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 224435187 DXTXDQVWYLOBNA-AREMUKBSSA-N 604.542 4.521 0 40 KJAB COc1cccc(CN(C(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1 224438574 JOSYHKXQLMWVPJ-INIZCTEOSA-N 578.946 4.611 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 224720924 RFUXSDQLHABLQZ-HSZRJFAPSA-N 539.673 4.581 0 40 KJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 224819716 LUKBHAFFQMCZLI-JOCHJYFZSA-N 542.101 4.787 0 40 KJAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 225015420 DJZZRHHGLXOGTF-VWLOTQADSA-N 565.736 4.759 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 225030955 JBXGLOVTNDENCH-DNQXCXABSA-N 581.735 4.540 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225035766 SVAHZYLBKTWTOQ-LEWJYISDSA-N 552.137 4.535 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 225058873 DWHRLIUUMZIHFG-DNQXCXABSA-N 551.709 4.531 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 225068573 KSNIXNMABHTVPS-DNQXCXABSA-N 551.709 4.531 0 40 KJAB O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(CC(=O)N2CCCC2)cc1 226016229 SUASGBUCYAWGPY-UHFFFAOYSA-N 560.503 4.988 0 40 KJAB COc1ccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(Cl)cc(C)cc43)[C@@]23C(=O)Nc2ccccc23)c(OC)c1 229611917 JVKNTDSYNORIEP-YAGSXNBFSA-N 558.034 4.680 0 40 KJAB CCc1noc(C)c1C(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CCCCC2)C1 257301585 RZBIEACTTQZAOB-AVRDEDQJSA-N 518.452 4.620 0 40 KJAB 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CCOc1ccccc1CCCNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 10110915 DJTXCTWRAZYFIE-UHFFFAOYSA-N 501.048 4.991 0 40 KJAB COc1cc(-c2nnc(CSc3nc4ccccc4c(=O)n3Cc3ccccc3)o2)cc(OC)c1OC 12418832 FVPFSLOUODJMBE-UHFFFAOYSA-N 516.579 4.813 0 40 KJAB biogenic,in-vitro CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1cc(OC)cc(OC)c1 13032633 JBCZTCCRJFODIZ-RUZDIDTESA-N 521.643 4.589 0 40 KJAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)n2CC 13129480 ZXIAOAOHGLFVRX-MBBDBFLNSA-N 532.776 4.900 0 40 KJAB COc1ccc2nc(-n3nc(C)c4c3NC(=O)CS[C@@H]4c3cc(OC)c(OC)c(OC)c3)sc2c1 15084961 BJEFZWHRVAVSTE-JOCHJYFZSA-N 512.613 4.600 0 40 KJAB COCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(F)cc3)N2C1=O 15959960 VXTXYEYVLCFEIS-BDYUSTAISA-N 526.568 4.556 0 40 KJAB biogenic Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN(c4cc(Cl)ccc4C)CC3)cc2c1 19941347 OAPHSTHPDZJOEF-AREMUKBSSA-N 518.065 4.812 0 40 KJAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(SC)cc3)cc2)cc1 20020502 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CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 260925828 HBADSZGNSPUBAY-KCWPFWIISA-N 545.746 4.580 0 40 KJAB Cc1cccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 260927928 HGRBZSUODSUQFB-JOCHJYFZSA-N 539.673 4.661 0 40 KJAB Cc1cc(N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)ccc1Br 260943589 PNXAWWYARVQAQF-MUUNZHRXSA-N 614.606 4.936 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1C 260968899 INTROTQUGNZMFY-OAQYLSRUSA-N 534.122 4.589 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 260984954 OUGANCYGZDKKDW-LXFBAYGMSA-N 611.761 4.630 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 260987254 PGSAHQUNTVRGLV-CUBQBAPOSA-N 655.814 4.681 0 40 KJAB CCOc1ccccc1N(CCCC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O 261107007 XDVOGLCUHPMYIK-HXUWFJFHSA-N 552.137 4.617 0 40 KJAB Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)S(C)(=O)=O)c1 408543471 DRFPDWAUBUIMRM-OAQYLSRUSA-N 529.684 4.514 0 40 KJAB CS(=O)(=O)N(CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1 408545634 LUWOEBMBOPWISD-UHFFFAOYSA-N 569.727 4.965 0 40 KJAB COc1cc(NC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2Cl)c(OC)cc1Cl 408635989 NJBSNUAMXMXYFJ-UHFFFAOYSA-N 551.448 4.775 0 40 KJAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1 408648229 WGDIEPRVULGVIW-UHFFFAOYSA-N 509.946 4.991 0 40 KJAB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1 408654469 QPEVFQBANMVZOC-WAJMBDEPSA-N 579.392 4.853 0 40 KJAB CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)c(C)c3C)CC2=O)cc1 408659700 MRPRLEYAJCXBTH-IBGZPJMESA-N 545.430 4.558 0 40 KJAB O=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 408681261 REPIGQBUVJBZFM-UHFFFAOYSA-N 558.075 4.632 0 40 KJAB Cc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)c1 408689673 SMEBPFXJAMEXMX-BOLGFTMLSA-N 508.574 4.720 0 40 KJAB O=C([C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 408714420 QHWBNRFIXPFCKR-HKBQPEDESA-N 567.711 4.718 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc5c(c4)OCO5)cc3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408735813 YBRWBQBYJZIAFD-PNQAETMRSA-N 642.730 4.903 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4ccc(OC)cc4)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408768439 JCYBLLIWNVKXCM-QUNTYYFUSA-N 693.572 4.806 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3O)c(=O)n2[C@H]1c1ccc(SC)cc1 408920534 JUVOCYQNAFGIFX-JYWRCUDFSA-N 579.925 4.642 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(F)(F)F)cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408937444 JIUATFKIFHRRSV-YJADQXIJSA-N 530.568 4.604 0 40 KJAB COc1ccc(NC(=O)CSC2=NC(C)=C(C(=O)Nc3ccccc3)[C@H](c3ccc(OC)cc3OC)N2)cc1 408978923 OTHAZHLZELFKDH-MHZLTWQESA-N 546.649 4.997 0 40 KJAB O=C(C[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1ccc(Br)cc1)OCc1ccccc1 409002971 QLDASDUWCOSXPA-QHCPKHFHSA-N 554.393 4.604 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Sc4nc(C)cc(O)n4)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 409104476 ZXEBHYKLIZMFEO-RSCAPRFBSA-N 677.986 4.771 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409105740 KHNQDLVMRGQITC-ZNQKWNQWSA-N 639.797 4.988 0 40 KJAB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1OCC(=O)OC 409165741 BDZCLGPKSXJAHA-YBFXNURJSA-N 506.374 4.636 0 40 KJAB COc1cc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)C(=O)O2)ccc1OC(C)=O 409188634 IMNZHHLRXKDTNK-GRSHGNNSSA-N 580.343 4.675 0 40 KJAB COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)cc1 409196011 SDUTZEKBMUBDHX-LZYBPNLTSA-N 509.765 4.564 0 40 KJAB CCOc1ccc(CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 934019 JJFLEJIPTHHBOL-UHFFFAOYSA-N 594.711 4.684 0 40 KJAB CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1 2093291 WHFPWPURCDHWME-RUZDIDTESA-N 521.591 4.830 0 40 KJAB biogenic O=c1c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc2n1C[C@H]1C[C@@H]2CN(CC2CCCCC2)C1 3841358 OMTFAOMJQPILMC-RBUKOAKNSA-N 509.594 4.667 0 40 KJAB biogenic,in-vitro O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CO[C@@H]2[C@H](OC(=O)Nc3cccc(C(F)(F)F)c3)CO[C@H]12 4222877 YZVMZBZXIGNKLL-BSDSXHPESA-N 519.398 4.629 0 40 KJAB biogenic,in-vitro O=C(CN1C[C@H](c2ccccc2)NC1=S)N(Cc1ccccc1F)C1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCCC1 8695891 AWVLSTLEHMXULZ-SSEXGKCCSA-N 615.775 4.874 0 40 KJAB O=C(Nc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1F)c1cccc(Cl)c1 8810283 YMSAMVRVNOWUJV-UHFFFAOYSA-N 508.402 4.896 0 40 KJAB COc1cccc(-c2nc3c(c(SCC(=O)Nc4ccccc4)n2)Cc2c(CO)cnc(C)c2O3)c1 9116191 JVIANAUTJGGKIN-UHFFFAOYSA-N 500.580 4.775 0 40 KJAB C[C@@H]1CN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3Cc3cccnc3)c2)C[C@@H](C)O1 9209399 QXYPJCSAXAIXNY-ALBSMBMESA-N 520.680 4.690 0 40 KJAB O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1 10187135 ULDCOAOAGFMAAT-QGZVFWFLSA-N 519.073 4.793 0 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CQWWVMJZBYEKBO-POTDNYQPSA-N 720.870 4.940 0 40 KJAB COc1ccc(C)cc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCc1ccccc1)c1ccccc1F 100362778 ANYIPUVWPBHKST-PMERELPUSA-N 537.595 4.978 0 40 KJAB CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 100377397 IXSARQQLUNNFIU-IZZNHLLZSA-N 560.699 4.524 0 40 KJAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1)N(Cc1ccccc1OC)C(=O)CNC(=O)c1cccs1 100413802 MVGNDYXWLZSWFI-SANMLTNESA-N 537.682 4.570 0 40 KJAB C[C@H]1CCC[C@H](NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2-c2ccc(OC(F)(F)F)cc2)[C@@H]1C 150508443 HHASCYNCVMYBGS-DFIYOIEZSA-N 653.749 4.887 0 40 KJAB O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 215948906 DKODCNOVVHYIEG-UHFFFAOYSA-N 626.038 4.784 0 40 KJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)ccc2C)c(C)c1 216375741 FJIFUXNCKXZWAQ-UHFFFAOYSA-N 579.704 4.873 0 40 KJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 222438433 JTVYJXIWFSDBKP-GDLZYMKVSA-N 565.736 4.672 0 40 KJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 222547419 YYNBCMDSFOWJPT-IBGZPJMESA-N 548.492 4.660 0 40 KJAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)N(S(=O)(=O)c3ccc(Cl)cc3)CC4)C2)cc1C 222589882 OKRFIHVWHASGCH-JOCHJYFZSA-N 618.177 4.838 0 40 KJAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCOc1ccccc1 222675967 BQXMCVQFCUKZOF-VWLOTQADSA-N 509.444 4.994 0 40 KJAB CC[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(OC)cc1 222770937 CRWOZWFDWQMSQS-INIZCTEOSA-N 501.417 4.535 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 222830058 ONBMKFJLGDLODZ-XMMPIXPASA-N 582.937 4.653 0 40 KJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 223006280 BTNRHWAKYDGDIF-OAQYLSRUSA-N 632.577 4.523 0 40 KJAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(Cc3ccncc3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 223584697 JDBYHTDEIUYHAW-UHFFFAOYSA-N 531.634 4.832 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 223585907 XIMDJZNAIJXCLD-MHZLTWQESA-N 565.736 4.923 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223651977 OVESGCOFZLMUNF-VWLOTQADSA-N 562.519 4.536 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 223669532 KYYAIHPKPNCICL-VWLOTQADSA-N 545.746 4.580 0 40 KJAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 224074539 BTNUKPYQSVKWGN-MGGBCXBISA-N 565.780 4.516 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 224102543 DHRVXWMXKMKEBR-MUUNZHRXSA-N 535.710 4.751 0 40 KJAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224467772 NXOSFAVMJJIYMX-SANMLTNESA-N 600.579 4.770 0 40 KJAB COC(=O)CSc1nnc(NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)s1 224508426 UGKBXUMSZUXFKF-UHFFFAOYSA-N 568.702 4.759 0 40 KJAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1)c1ccc(Br)cc1 224680342 OXXFULPPFZDXIV-UHFFFAOYSA-N 537.863 4.878 0 40 KJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 224871008 UHIITASALKIOKW-SFHVURJKSA-N 580.534 4.784 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 224918020 UVOAZSWHFFDGQE-SSEXGKCCSA-N 595.762 4.787 0 40 KJAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 224944244 ATFANXRJMWREEU-GDLZYMKVSA-N 549.737 4.812 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 225027965 SZQBZGZTFDREFU-BJKOFHAPSA-N 551.709 4.885 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 225073061 RGNFMPKYNROOLB-DHIUTWEWSA-N 539.673 4.661 0 40 KJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 225177954 JKZIDVOEDKCIJK-LJAQVGFWSA-N 565.736 4.923 0 40 KJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 225243602 GKWAAVAXWORVFY-GOSISDBHSA-N 572.953 4.511 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 225451094 MLZHWZMDDDLOOU-NDEPHWFRSA-N 585.170 4.509 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 225507628 BVAZPHJIKQQIMA-UFHPHHKVSA-N 595.762 4.930 0 40 KJAB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(N(C)C)cc1 225671660 FZQJTWFHMRJHDN-VMPREFPWSA-N 540.693 4.948 0 40 KJAB CNc1nc(-c2ccc(OC)c(NC(=O)CCc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)cs1 226051263 KUSJDIPCMHAXIK-UHFFFAOYSA-N 514.673 4.606 0 40 KJAB CN(C)S(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)c1ccccc1F 260952094 FQYPLNAYFSJYBL-HHHXNRCGSA-N 603.160 4.647 0 40 KJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 261007306 SVAHZYLBKTWTOQ-RTWAWAEBSA-N 552.137 4.535 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 261089044 SRJPAEYUAGQPAC-ROUUACIJSA-N 572.953 4.509 0 40 KJAB COc1ccc(CCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1OC 408593951 PAOUVBMJCQEQQM-UHFFFAOYSA-N 566.598 4.594 0 40 KJAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1OC 408602150 CMBGNPRUUBCOMW-UHFFFAOYSA-N 559.644 4.729 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(NC(C)=O)c1)c1cccc(C(F)(F)F)c1 408611775 RIMMUXUSKSVKHD-UHFFFAOYSA-N 535.544 4.815 0 40 KJAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)cc2)cc1 408629448 BJWNWRNVSXXURO-UHFFFAOYSA-N 521.639 4.789 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(Cl)ccc2OC)cc1OC 408630387 SWBDKDUMYQLHKM-UHFFFAOYSA-N 549.089 4.646 0 40 KJAB CC(C)[C@@H](C(=O)NCc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408645679 AJXNOOJTIHWKDK-CGHKXIPFSA-N 533.455 4.921 0 40 KJAB C[C@@H](C(=O)OCC(=O)Nc1cccc2ccccc12)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408686453 SNGZRJMVAGPZJJ-IRGHGDTESA-N 530.580 4.602 0 40 KJAB Cc1cc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@H](C)c2ccccc2)C3=O)ccc1Br 408691292 ZFZKQHCWZKSJJD-MRXNPFEDSA-N 521.367 4.910 0 40 KJAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(Cl)cc(Cl)c1 408710991 HDPODXBETYFWKT-UHFFFAOYSA-N 606.528 4.579 0 40 KJAB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408827567 KQPZFTNVUVXXFQ-VLOXRPPESA-N 602.974 4.952 0 40 KJAB COC(=O)C1=C(C)N=c2s/c(=C\c3cn(CC(=O)Nc4ccccc4)c4ccccc34)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 408937635 HATPFPSHSDJUID-NQMRHMFFSA-N 627.122 4.664 0 40 KJAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(OC)cc4OC)c(=O)n32)c(OC)c1 408977194 HQYTULZYFQOLAV-DQARITGZSA-N 650.551 4.671 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 409001188 VFZMWXVCJGKMNK-FGSNJIQSSA-N 530.646 4.797 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc(C(=O)OCC)cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409033254 OKSSDBFKMRDRMP-IYCJABBDSA-N 714.793 4.505 0 40 KJAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c2=O)=N1 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CC(=O)N1CC2=C(C1=O)[C@H](c1cc3cccc4c3n(c1=O)CCC4)c1cn(CC(C)C)c3cccc(c13)N2 524730200 ZOHGMAJLHXIRSY-AREMUKBSSA-N 506.606 4.759 0 40 KJAB biogenic CC(=O)N1CC[C@H]2CC[C@@H](CN(C(=O)c3cnc(C)cn3)Cc3ccccc31)N2Cc1ccc(Cl)cc1 643568709 ITTGLVSFYFKFJX-FTJBHMTQSA-N 518.061 4.871 0 40 KJAB COc1ccc([C@@H](CC(=O)NCC(OC)OC)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 1547208838 HJMTZLPWFFIKES-NBGIEHNGSA-N 583.678 4.845 0 40 KJAB biogenic Cc1ccc(NC(=O)Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3c4c(sc32)COC(C)(C)C4)cc1 2212008 NYJCBUOQVBDWNR-UHFFFAOYSA-N 510.015 4.666 0 40 KJAB COc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2Cc2ccco2)cc1OC 2443581 MXRQGZGECPJLIN-UHFFFAOYSA-N 514.991 4.900 0 40 KJAB COc1ccc(-c2csc(NC(=O)CSc3nnc([C@@H](C)N(C)C)n3-c3ccc(F)cc3)n2)cc1 2618780 OLSLOPGWLVJSSZ-OAHLLOKOSA-N 512.636 4.892 0 40 KJAB Cc1c(Cl)cnc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)c1Cl 2640102 BGCWWOKJYZHBRQ-AWEZNQCLSA-N 534.421 4.632 0 40 KJAB aggregator CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCc1ccc(Cl)cc1 9043538 CULPIPBAMDVJJT-NHKZQCCDSA-N 500.064 4.536 0 40 KJAB Cc1ccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2S(=O)(=O)c2ccc(Cl)cc2)cc1 9392250 OJYCQHBWAHHTCG-QHCPKHFHSA-N 504.033 4.560 0 40 KJAB COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2cc(C)on2)c2cccc(F)c2)cc1 12492625 CITLMBNEAJSUGI-VWLOTQADSA-N 510.566 4.539 0 40 KJAB Cc1csc(NC(=O)CCC(=O)N(C[C@@H]2CCCO2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)n1 13505663 IPXZAWAQHFAXLL-DHLKQENFSA-N 530.666 4.507 0 40 KJAB COc1cc(OC)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)cc1Cl 13523752 TXDBCZRATVITGY-OKILXGFUSA-N 501.432 4.930 0 40 KJAB CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(Cl)cc2)c1 13674119 RNXFIBRQUAYYBG-UHFFFAOYSA-N 517.003 4.749 0 40 KJAB CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(CCc3sccc3C)C2=S)cc1 15320229 KOGYCAFCGQCDON-JOCHJYFZSA-N 521.664 4.807 0 40 KJAB O=C1N[C@H](c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 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4.747 0 40 KJAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1 216519800 HDZPSJSUWHTVTL-UHFFFAOYSA-N 613.736 4.842 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 222469567 BTLAUTYPLGBJPV-PZGXJGMVSA-N 599.725 4.760 0 40 KJAB COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 222532069 LAFDGAINQCXOFD-HKBQPEDESA-N 607.773 4.559 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 222586600 BUFIIHMPHLUKNW-WZONZLPQSA-N 542.529 4.524 0 40 KJAB Cc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)cc1Cl 222727674 SCJYIINSARPNMK-NDEPHWFRSA-N 588.145 4.966 0 40 KJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 222798120 RQNSQMUPIOAUTL-OAHLLOKOSA-N 548.920 4.745 0 40 KJAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1nnc(SCc2ccccc2)s1 222856427 LUSIDDDDHATMDU-UHFFFAOYSA-N 502.687 4.956 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 222969020 ZZQYRSQCNJLWCY-VWLOTQADSA-N 565.736 4.923 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 223278812 NKCJBPJKQDKLEH-QDPGVEIFSA-N 570.155 4.969 0 40 KJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 223444423 NQWDEBVBDLRFDF-VWLOTQADSA-N 595.762 4.931 0 40 KJAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(I)cc1 223492266 BOKPCWMKTJAMSN-DEOSSOPVSA-N 560.407 4.585 0 40 KJAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 223586859 HJYGIZHSWIGGET-MUUNZHRXSA-N 630.605 4.780 0 40 KJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223669956 NFHIQKLHOBIXGJ-DEOSSOPVSA-N 566.164 4.925 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1 223762734 KNHBJNMIIYZPCN-DEOSSOPVSA-N 593.746 4.684 0 40 KJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O 223825918 UNXLXTXETCUSAU-QFIPXVFZSA-N 572.555 4.882 0 40 KJAB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 223940868 PWUWZBAQTJBTCW-IBGZPJMESA-N 578.518 4.751 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 224039718 SKZDBMOISSQHLA-HHHXNRCGSA-N 586.154 4.589 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c2ccccc2)cc1 224084417 KYYFINKSACNZRS-VWLOTQADSA-N 547.721 4.709 0 40 KJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 224130949 FKRXMWVYSNWOPW-JOCHJYFZSA-N 574.065 4.991 0 40 KJAB Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)c2cccc(C)c2)cc1 224150316 OYLWFWJCZQUHKG-SANMLTNESA-N 549.737 4.997 0 40 KJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 224276527 IYXXPJTXFKNNIC-MHZLTWQESA-N 527.731 4.716 0 40 KJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 224405837 MTZKQRKIRIXUNK-AREMUKBSSA-N 626.573 4.540 0 40 KJAB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 224512486 FQGCDXCPCJIWGD-JOCHJYFZSA-N 564.482 4.761 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)N[C@@H](C)CC)S(=O)(=O)c2ccccc2)cc1 225059138 NDAABZQSKYDKKM-DQEYMECFSA-N 565.736 4.921 0 40 KJAB CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1)c1ccc(OC)c(C)c1 225061565 JOKJFUNYLBBNKX-HSZRJFAPSA-N 512.628 4.727 0 40 KJAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3nccs3)c2C)cc1 225207785 FTEQGVHUGNEMCD-DNQXCXABSA-N 518.668 4.708 0 40 KJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 225270947 FDLROWOHCWTIAF-GDLZYMKVSA-N 549.737 4.626 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC)S(=O)(=O)c2ccc(Cl)cc2)cc1 225392895 FYGZEUVNARXKAY-IBGZPJMESA-N 578.518 4.751 0 40 KJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)O)o2)cc1NS(C)(=O)=O 225490917 WPVJSWFQLQLQRQ-JWQCQUIFSA-N 564.645 4.597 0 40 KJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 225498104 LJTHKIOTYUUGSC-MHZLTWQESA-N 574.118 4.802 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 225505480 VSXJDXPITLBTHK-WIYYLYMNSA-N 542.529 4.790 0 40 KJAB COc1ccc(C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)cc1S(=O)(=O)NCCc1ccccc1 226046212 ICQKAKVSLHXNGS-UHFFFAOYSA-N 534.638 4.566 0 40 KJAB CC(=O)Nc1ccc2nc(NC(=O)CN3CCC4(CC3)CN(S(=O)(=O)c3cccc(Cl)c3)C(C)(C)C4)sc2c1 257234619 GUKCYCRYFULSCT-UHFFFAOYSA-N 590.171 4.802 0 40 KJAB CCCc1nc(N2CCC(Cc3ccccc3)CC2)ncc1C(=O)NS(=O)(=O)c1ccccc1Cl 257277414 NXWDQSDKDBGAFU-UHFFFAOYSA-N 513.063 4.660 0 40 KJAB COc1ccc(CN(C(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)cc1 260737251 LQHTVEWNYLJQTC-JOCHJYFZSA-N 572.127 4.794 0 40 KJAB COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)[C@H](C)C(=O)NC2CCCCC2)c1 260775588 HSWMVKCYADBMNU-HSZRJFAPSA-N 639.746 4.667 0 40 KJAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)Oc3ccc(C)cc32)cc1 260790307 ACFPYJRXZXCODO-HSZRJFAPSA-N 504.530 4.595 0 40 KJAB CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(Cl)cc2)cc1 260842924 YYCSPHUXNQTFRY-GOSISDBHSA-N 531.030 4.583 0 40 KJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 260869641 AWPVGZJBVOFLPP-UWJYYQICSA-N 562.054 4.847 0 40 KJAB COc1ccc(N(CCCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1Cl 260873198 FJGASZOXZLEFDN-LJQANCHMSA-N 572.555 4.738 0 40 KJAB CCc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 260933241 BPJJUURRRRNOIL-SSEXGKCCSA-N 579.738 4.853 0 40 KJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 260978384 NRNCNEQFYZROIZ-OFNKIYASSA-N 552.137 4.617 0 40 KJAB 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COc1ccc(C)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 260841985 BEHGRTWUJGBFFW-JOCHJYFZSA-N 616.578 4.903 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 260882282 IUCSHHVZJHVDFU-RPWUZVMVSA-N 611.761 4.630 0 40 KJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 260894118 DDQUJPBSKQTJGV-HOTGVXAUSA-N 593.371 4.854 0 40 KJAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(C)(=O)=O)cc1 260964340 ZSYOFUYGXFWNPN-GDLZYMKVSA-N 600.181 4.917 0 40 KJAB COc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 260985017 OVBQWRVGYIVESK-HSZRJFAPSA-N 551.709 4.531 0 40 KJAB Cc1ccccc1CN(C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C 261009255 TXRRMKOAPXGNCD-OAQYLSRUSA-N 536.138 4.835 0 40 KJAB COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)c1 261074209 QCDLDLQEWNHAPQ-OAQYLSRUSA-N 646.604 4.994 0 40 KJAB 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CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 409255662 ZHPZYMSDVVXTJS-BUVRLJJBSA-N 621.488 4.959 0 40 KJAB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCC(C)CC4)o3)c(=O)n21 409274508 DTUMEWXVDXSYOM-OFCKJYIJSA-N 614.562 4.787 0 40 KJAB CCn1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 409355157 JKWPANUZBUUEDS-GFCCVEGCSA-N 522.414 4.525 0 40 KJAB COc1ccccc1Cn1nc(-c2cc(OC)c(OC)cc2OCC(=O)O)cc1-c1cccc(OC)c1OC 585264780 MHLHGQVDIOFFKE-UHFFFAOYSA-N 534.565 4.772 0 40 KJAB COc1ccc(OC)c([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)C2CCCC2)c1 887471 ZUECGXYWQMNBAD-NDEPHWFRSA-N 581.117 4.972 0 40 KJAB COc1cccc([C@H](C(=O)NCc2ccccc2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)c1 932001 RYFWWOAGYGZSNN-MUUNZHRXSA-N 525.634 4.588 0 40 KJAB O=C1[C@H]2[C@H](C(=O)N1c1ccc(O)cc1)C1(Br)c3ccccc3C2(Br)c2ccccc21 2058810 TVSRUBBUGFFUOR-LMHXZZLNSA-N 525.196 4.802 0 40 KJAB CCCCNC(=O)C[C@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3ccc(Cl)cc3)N2C1=O 2968098 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COc1cc(C(=O)N[C@@H](C)CCc2ccccc2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC 22254694 NHLXEEZUNQQMSO-IBGZPJMESA-N 514.619 4.560 0 40 KJAB COc1ccc(C(=O)[C@@H](C)OC(=O)CCCC(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(C)cc3)cc2)cc1 97947903 RSRZYBVFZAECPW-OAQYLSRUSA-N 545.588 4.967 0 40 KJAB CCOc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(Br)c(O)c(OC)c4)[C@@H]3C2=O)c1 97955064 HNXXTGRHWIMJPL-ZDXQCDESSA-N 539.382 4.613 0 40 KJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(C(=O)CNC(=O)c1cccs1)c1cccc(C(C)=O)c1 100413883 RKZPQNOFQFJPFM-AREMUKBSSA-N 535.666 4.768 0 40 KJAB CCS(=O)(=O)Nc1ccccc1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2cccc(F)c2)C1 101491073 QBDKSJZCGGGMRW-HSZRJFAPSA-N 522.023 4.781 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc(F)cc3)c(=O)n2[C@@H]1c1ccccc1OC 104945265 CSJRHCAGXCYAAZ-RAWKODRKSA-N 585.701 4.830 0 40 KJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1S(=O)(=O)Nc1cccc(C)c1C 107571581 DYFLDVHWNHZFTG-UHFFFAOYSA-N 541.695 4.840 0 40 KJAB CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cc(Br)cc(Br)c2OC)cc1 109964839 CJRVBKYSZIGYDM-UHFFFAOYSA-N 574.320 4.570 0 40 KJAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)c(Cl)c1 215987244 WXVMASCDGCGRCO-QFIPXVFZSA-N 535.405 4.765 0 40 KJAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 216131963 NRSZITLKKCTVBC-UHFFFAOYSA-N 540.450 4.722 0 40 KJAB O=C(NCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 216325891 BTNAWQBTBRSBKA-UHFFFAOYSA-N 520.276 4.614 0 40 KJAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 222506231 DGXOTNQTORTVNY-SSEXGKCCSA-N 591.680 4.855 0 40 KJAB COc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 222579467 CIJXRPCGGUAVGN-KRWDZBQOSA-N 533.444 4.539 0 40 KJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 222651159 ZTNSTFAQXOCYTF-MHZLTWQESA-N 574.118 4.657 0 40 KJAB COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)c2ccc(C)cc2)cc1 222727725 QJUDGBBLOWSGDP-DEOSSOPVSA-N 565.736 4.839 0 40 KJAB 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CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 224985420 KITNMOHANUHTDU-QFIPXVFZSA-N 572.127 4.796 0 40 KJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 225054387 JWACQJPQCDIESA-DEOSSOPVSA-N 597.803 4.989 0 40 KJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 225213769 ZUGFNCUOKNGIQX-HSZRJFAPSA-N 572.555 4.882 0 40 KJAB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C(=O)O)cc1)Nc1ccccc1F 225617992 HMKBQGUOEIQYJX-FTJBHMTQSA-N 529.597 4.711 0 40 KJAB Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2c(C)[nH]c(C)c2I)c1 225642025 NEHGUFVMOSQXGN-GOTSBHOMSA-N 559.477 4.941 0 40 KJAB CCOC(=O)C1(c2ccc(NC(=O)c3ccc4c(c3)C[C@@H](C)N4S(=O)(=O)c3ccccc3)cc2)CC1 225850199 KUAMPHKPDHGSHV-LJQANCHMSA-N 504.608 4.674 0 40 KJAB O=C(NCc1ccccc1)[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c2ccccc2O1 260749512 VVRCQMHSJFVBKO-JGCGQSQUSA-N 595.721 4.871 0 40 KJAB 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MXVKMPMOBLTHHN-UHFFFAOYSA-N 542.439 4.570 0 40 KJAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(=O)OCC(=O)Nc4cc(C(F)(F)F)ccc4Cl)c3)C(=O)[C@@H]12 408689193 RNNKXLZQRUCFCJ-RBLYABSFSA-N 532.902 4.856 0 40 KJAB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)c(I)o4)c(=O)n32)cc1 408919829 CZNJAAPNUTUHHH-RPXHZFJKSA-N 659.365 4.869 0 40 KJAB CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(OCC(C)C)cc3)c2=O)=N1 409016366 RSFRVOBNVBZNDL-QPJBPQEWSA-N 534.678 4.622 0 40 KJAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409035266 JKJNVPQTSKEGMF-GAPLDZIPSA-N 812.635 4.631 0 40 KJAB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@H]1c1ccccc1OC 409089940 PHEVOIZPJYDZFV-YJADQXIJSA-N 649.405 4.646 0 40 KJAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)C1=O 409097525 OANDDEBSGKJRKZ-SGEFVQMOSA-N 524.364 4.774 0 40 KJAB CCOc1cc([C@@H](c2c[nH]c3ccccc23)C2C(=O)OC(C)(C)OC2=O)cc(Br)c1OC 409136398 UINHKUWEYQDDMP-IBGZPJMESA-N 502.361 4.922 0 40 KJAB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)ccc1Cl 409158249 SHIGHJXKJXLHSI-OYKKKHCWSA-N 631.084 4.968 0 40 KJAB CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc5c(c4)OCO5)C3=O)cc2OC)cc1 409274302 OSUZLIZDGHNEKH-ZMFRSBBQSA-N 589.626 4.679 0 40 KJAB CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1cc(C)c(C)cc1Br 409343743 FGKICFGETFMARA-UHFFFAOYSA-N 505.438 4.996 0 40 KJAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OCC(=O)Nc4ccccc4)c(Cl)c3)C2=O)o1 409387938 YULCELGTGIWHDT-CIAFOILYSA-N 526.954 4.974 0 40 KJAB Cc1ccc(N2C[C@H](C(=O)N3CCC4(CCCCCc5ccccc5OCCNC4=O)CC3)CC2=O)cc1Cl 643559345 HMWHGUPJVXETDI-XMMPIXPASA-N 552.115 4.922 0 40 KJAB Cc1ccc(OC[C@]2(O)CCCN(Cc3ccc(OCCn4c(=O)n(C)c5ccccc54)cc3)CC2)cc1 2037926406 DZRLOSLYCIFAFH-HKBQPEDESA-N 515.654 4.523 0 40 KJAB O=C1c2c(Br)c(Br)c(Br)c(Br)c2C(=O)N1c1ccccn1 808575 PPCMRBQEVVWHDH-UHFFFAOYSA-N 539.803 4.932 0 40 KJAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccccc3)[C@@H]3CCCC[C@H]3C)cc2)C1 933707 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CCOc1cccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2ccc(F)cc2)c1 9012636 JKLDGINAXHKNAC-RUZDIDTESA-N 521.614 4.807 0 40 KJAB COc1cccc(N(CC(=O)Nc2ccc(OC)c(Cl)c2)S(=O)(=O)c2cc(C)ccc2OC)c1 10300063 IXEFCCRJTDKGBD-UHFFFAOYSA-N 504.992 4.508 0 40 KJAB CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)COc3ccc(Cl)cc3Cl)scc12 11757893 VEPMEBUZEIPICV-UHFFFAOYSA-N 518.378 4.948 0 40 KJAB O=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 12564009 GXOZHENMYVDGTD-UHFFFAOYSA-N 514.500 4.917 0 40 KJAB Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccc(F)cc2)cc1F 12712937 KIXWUXAQOCNAET-HHHXNRCGSA-N 505.569 4.955 0 40 KJAB Cc1csc(NC(=O)CCC(=O)N(C[C@H]2CCCO2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)n1 13505664 IPXZAWAQHFAXLL-RDGATRHJSA-N 530.666 4.507 0 40 KJAB CCOC(=O)c1sc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccc(Cl)cc2)c(C(=O)OCC)c1C 16735302 DHOLMKGFHFKLBE-HXUWFJFHSA-N 518.975 4.707 0 40 KJAB COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 20014900 KBDNUJHYCIUTPT-SFHVURJKSA-N 503.020 4.738 0 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C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 225197890 GZWUDFGBSAJLQY-OAQYLSRUSA-N 578.573 4.716 0 40 KJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 225201602 OWTVQGRZTUVBEF-RBUKOAKNSA-N 542.529 4.872 0 40 KJAB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccncc3)c2C)ccc1OC 225289325 CGYNNVBTIISJTA-FQLXRVMXSA-N 556.692 4.714 0 40 KJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 225477433 ZCYLEOJMQKQTFJ-ZEQKJWHPSA-N 515.720 4.572 0 40 KJAB CN(C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)cc1 225533092 GWTIBRQKPYOZKN-IZLXSDGUSA-N 510.667 4.940 0 40 KJAB Cc1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccccc1 225537045 KRESWDRPTVUMHK-QFIPXVFZSA-N 542.101 4.786 0 40 KJAB COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2OC)c1 225672580 XUKANCIUYYNAIR-IZLXSDGUSA-N 527.650 4.891 0 40 KJAB 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0 40 KJAB COC(=O)Cn1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c2cc(Br)ccc21 409137292 WQAJNJJGWRHXFK-UWVJOHFNSA-N 503.349 4.952 0 40 KJAB Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)Nc4ccc(Br)c(C)c4)cc3)C2)cc1 409170550 WEIWBEJMUHQQRG-NRFANRHFSA-N 550.453 4.753 0 40 KJAB CCOc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc(Br)c1OCC(=O)OC 409204279 DNIRUYMARDGLMR-UYRXBGFRSA-N 520.401 4.679 0 40 KJAB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nccc(C)n4)o3)c(=O)n2[C@@H]1c1cccs1 409272255 FOXSSBAFWDFHFH-KZTQLJDNSA-N 586.720 4.840 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc(Br)c3OC(C)(C)C)C2=O)o1 409400777 QWLVBEKESAJMBC-NVNXTCNLSA-N 511.756 4.752 0 40 KJAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(=O)Nc4ccccc4F)c(Br)c3Br)C2=O)o1 409401872 UHCJRFHLIARHRI-MFOYZWKCSA-N 681.265 4.849 0 40 KJAB O=C(CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1)Nc1ccccc1N1CCOCC1 409411311 FUVYJXCALSMMRK-UHFFFAOYSA-N 566.481 4.970 0 40 KJAB COCCn1c(C(=O)N2CCC3(CCCCc4ccccc4OC[C@@H](C)NC3=O)CC2)cc2ccccc21 643562835 RVGFBUGCPRKRON-HSZRJFAPSA-N 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