smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 409160508 QOWPQSQTWVKFPE-FSJBWODESA-N 477.315 1.679 50 40 JDGB CCN(CC)S(=O)(=O)c1cccc(N2C(=O)/C(=C\NNC(C)=O)c3ccccc3C2=O)c1 9493592 XCAAZDCSACBLEB-ZHZULCJRSA-N 456.524 1.886 50 40 JDGB NC(=O)COc1ccc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1 58884462 FOSVZKLTXJEARV-ZMOGYAJESA-N 470.507 1.485 50 40 JDGB CCOC(=O)c1ccc(N2C(=O)C[C@H](NNC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 100097124 YZGLZXPSIRQWAB-INIZCTEOSA-N 471.466 1.456 50 40 JDGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)N1CCCCC1 408787351 YIZASOVNSTYEMZ-MTJSOVHGSA-N 452.920 1.874 50 40 JDGB CCCc1c(C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)nnn1-c1nonc1N 1815369 AAWLZGQQGGUKOM-FBCYGCLPSA-N 465.268 1.426 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)CC2)c(C)c1 12778842 QKDNJJPIHUGOTH-GOSISDBHSA-N 457.618 1.196 50 40 JDGB C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccco1 13496644 LSZOGAISPOLDBZ-XSFVSMFZSA-N 469.361 1.889 50 40 JDGB COc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c(OC)c1 408685050 OKTLHJRTMUTTNF-QPOISQFYSA-N 454.273 1.757 50 40 JDGB COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)c(OC)c1 408771340 HDYFGSWELLFQSB-CIAFOILYSA-N 451.501 1.637 50 40 JDGB COc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1429787 WHRGUWRTKKYYPF-XMMPIXPASA-N 461.478 1.007 50 40 JDGB CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 9813057 WSKUUKMUEIRTAS-UHFFFAOYSA-N 456.455 1.627 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1O 59488247 DRNZJEOVCBMEJO-UFWORHAWSA-N 457.224 1.755 50 40 JDGB CSc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2nncn2C)cc1 2444346 FKEUDAGZSKNKCU-FBCYGCLPSA-N 471.532 1.139 50 40 JDGB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)CSc1ccc(Cl)cc1 9545669 GEOVCIUGSJKLQW-NSHDSACASA-N 452.945 1.707 50 40 JDGB C[C@H](C(=O)NNC(=O)C[C@@H]1CCS(=O)(=O)C1)n1c(-c2ccccc2)nc2ccccc2c1=O 9971142 ZRPYXFHXGMDGSM-CVEARBPZSA-N 468.535 1.597 50 40 JDGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)N(CCN1CCOCC1)c1ccc(F)cc12 13625826 PZMLMQCZLUAQNT-SANMLTNESA-N 488.475 1.983 50 40 JDGB C[C@@H]1Cc2cc(C(=O)NNC(=O)c3cncn3-c3ccc(F)cc3)ccc2N1S(C)(=O)=O 14938958 IPNPRRJGJYQQSU-CYBMUJFWSA-N 457.487 1.797 50 40 JDGB Cc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)S(C)(=O)=O)cc1 19954549 QKMBKDGFUVTAEQ-UHFFFAOYSA-N 465.329 1.996 50 40 JDGB NS(=O)(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 100567673 RKRMYXYNEHATGY-LVTVNPDKSA-N 478.162 1.616 50 40 JDGB COC(=O)c1ccc(Cl)cc1N/C=C1\C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 9053808 LPWWFJKOEWSVRT-LWLPBDFMSA-N 463.899 1.818 50 40 JDGB O=C(COc1ccccc1Cc1ccccc1)NNC(=O)CN1C(=O)NC2(CCCC2)C1=O 12814391 SRQOHWWNCSXZLS-UHFFFAOYSA-N 450.495 1.668 50 40 JDGB O=C(CCCC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccc1 408648010 WKIGADLZRLUOFI-UHFFFAOYSA-N 460.874 1.276 50 40 JDGB CCOC(=O)c1ccc(N2C(=O)C[C@H](NNC(=O)c3cncc(Br)c3)C2=O)cc1 1073456 YEBMUZAUAZZPBV-HNNXBMFYSA-N 461.272 1.587 50 40 JDGB COc1ccc2[nH]c3nc(SCC(=O)NNC(=O)COc4ccc(C#N)cc4)nnc3c2c1 12498582 RJNYITJLOHXRLZ-UHFFFAOYSA-N 463.479 1.705 50 40 JDGB COc1ccc(CCNC(=O)CC(=O)N/N=C\c2ccc(OCC(=O)NC(C)C)cc2)cc1OC 58873191 NEMHUEIFBZGBAI-DICXZTSXSA-N 484.553 1.806 50 40 JDGB NNC(=O)N/N=C1/C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C(=O)[C@@H]1c1nc2ccccc2o1 102945649 ONBAUDJTSFOGPV-MWCBDGDMSA-N 475.248 1.890 50 40 JDGB C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 15386818 HPHKVOMACANHRD-GFCCVEGCSA-N 470.345 1.928 50 40 JDGB C[C@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 102081580 RGFIBPKBUNYJOT-XPIVLIJGSA-N 478.181 1.448 50 40 JDGB COc1cc(C(=O)N[C@H](C(=O)NNC(=O)c2cc(Cl)cn2C)C(C)C)cc(OC)c1OC 32841953 WVTRJRBLVCJQCY-KRWDZBQOSA-N 466.922 1.920 50 40 JDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(Cl)c([N+](=O)[O-])c1 102676091 ZLLAOYDHNSXRMX-ACLQVGRQSA-N 450.860 1.940 50 40 JDGB Cc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)C(C)C)cc1 33019671 NXWLVGKUXCANRO-QGZVFWFLSA-N 459.572 1.812 50 40 JDGB C[C@@H](NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1)c1ccccc1 408870135 VLMBKGUYBXICPU-YRQCHPQVSA-N 461.478 1.862 50 40 JDGB COC(=O)C1=c2s/c(=C/c3ccccc3OC)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1OC 989328 CDYNTXSYJYQWBQ-RQRMZWKBSA-N 475.526 1.528 50 40 JDGB C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 8783442 GBJFARCYEAIFKO-OAQYLSRUSA-N 454.395 1.445 50 40 JDGB COc1ccc(/C(C)=N/NC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)cc1[N+](=O)[O-] 25783651 UOEOGZVKIVSYOP-SSDVNMTOSA-N 463.414 1.970 50 40 JDGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1)S(C)(=O)=O 28213057 XSTPFNIBCRRMIO-YDZHTSKRSA-N 460.556 1.815 50 40 JDGB Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cn(C[C@@H](O)CN3CCCC3)c3ccccc23)cc1 28295701 RETCURITWRCGCF-WMPMWDHYSA-N 497.621 1.835 50 40 JDGB C/C(=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cccc([N+](=O)[O-])c1 12465382 RNUWBHCTFRXGBA-XLNRJJMWSA-N 459.528 1.750 50 40 JDGB CN(C)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2COc2ccc(F)cc2)cc1 8739910 YCKPIDQSDIYOPV-BHGWPJFGSA-N 465.449 1.781 50 40 JDGB COc1cc(C(=O)NCC(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc(OC)c1OC 15134862 ZYPJEJSCFAHXLF-ODCIPOBUSA-N 477.386 1.115 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)c(OC)c1 409153783 FKKIAKNYOAYBAV-DHRITJCHSA-N 456.499 1.542 50 40 JDGB COc1cc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1OCC#N 8824901 PPIXJAFLHAWJHP-HZHRSRAPSA-N 458.496 1.382 50 40 JDGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 9912484 BGXWWLAIHLYLNN-CQSZACIVSA-N 462.553 1.635 50 40 JDGB COc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C)cc1S(=O)(=O)N1CCOCC1 12771559 LUGZYFUOQKGCPF-UHFFFAOYSA-N 477.539 1.173 50 40 JDGB O=C(CCCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O)N/N=C/c1cc([N+](=O)[O-])ccc1O 13969366 NSIWSAFBWGWORD-CLVAPQHMSA-N 458.387 1.685 50 40 JDGB O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 29549124 PTOGVFYPRYXDCO-HNNXBMFYSA-N 455.492 1.069 50 40 JDGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](CC(C)C)NC(N)=O)c1 9511922 DFPZJTDWDOWZFL-KRWDZBQOSA-N 477.543 1.340 50 40 JDGB COc1ccc([C@H](CC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)NC(C)=O)cc1 10471256 SYPQSDMFAGXKRL-FQEVSTJZSA-N 476.555 1.039 50 40 JDGB CCn1nc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2c1=O 17190906 SLUFHLOBZVVXQD-HNNXBMFYSA-N 499.593 1.842 50 40 JDGB NS(=O)(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 104244127 RKRMYXYNEHATGY-GRRRKWKPSA-N 478.162 1.616 50 40 JDGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)NCCCOC)cccc2OC)cc1 408611802 WQICMAXDPMCKAL-CVKSISIWSA-N 486.525 1.714 50 40 JDGB COC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc1 408653756 AMUBKLMRXUBLND-YULKNUEKSA-N 483.304 1.421 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCC(=O)Nc1ccc(Cl)cc1 409159507 QRLKBFOARQRVRD-DHRITJCHSA-N 476.917 1.969 50 40 JDGB COC(=O)C1=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@@H](c2cccc(OC)c2)C(C#N)=C1N 8767465 UBYOGLLSXWHRJE-CMYPOMNDSA-N 475.526 1.419 50 40 JDGB O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1 9973319 WDPIHOYEGTXGQT-VQTJNVASSA-N 476.441 1.983 50 40 JDGB COc1cc(/C=N/NC(=O)CN2CCOCC2)c(Br)c(Br)c1O 15018706 UKCFDSWXOLEKCC-REZTVBANSA-N 451.115 1.708 50 40 JDGB C/C(=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccco1 36001137 LSZOGAISPOLDBZ-ZHZULCJRSA-N 469.361 1.889 50 40 JDGB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 102340771 SEBDFDPLNUPUJK-IAGOWNOFSA-N 477.521 1.225 50 40 JDGB COc1ccc(OC)c(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)c1 408682663 LDMYLCSZVYZUCF-AYCMENBISA-N 485.320 1.651 50 40 JDGB C[C@H]1CN2C[C@@H](C)O[Si](CC[Si]34O[C@H](C)CN(C[C@@H](C)O3)C[C@@H](C)O4)(O1)O[C@H](C)C2 263610451 WDOAPTXXCFTTKA-PJBUMPDVSA-N 460.720 1.953 50 40 JDGB COc1ccc(/C=C2\SC(=O)N(CC(=O)NNC(=O)c3ccccc3O)C2=O)cc1OC 2688918 VDVGCJXMORYDRC-YVLHZVERSA-N 457.464 1.907 50 40 JDGB O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 3142734 NAYATRZVOCTHRJ-UHFFFAOYSA-N 492.404 1.653 50 40 JDGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(C)(=O)=O)c1 16215273 UZUMYBQIHGQLMG-RGVLZGJSSA-N 466.472 1.537 50 40 JDGB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NNC(=O)Cc2nc3ccccc3n2C)C(C)C)c1 26538091 PQYBGIJZRCRNGP-JOCHJYFZSA-N 467.526 1.735 50 40 JDGB O=C(O)CC[C@H](C(=O)O)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 102972326 NRXFVCDLBRGEDJ-REVJBKDTSA-N 453.083 1.082 50 40 JDGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1)NNC(=O)c1ccccc1 408657660 HJPDCAQVRCYPSX-USNOLKROSA-N 459.458 1.616 50 40 JDGB N#Cc1ccccc1OCC(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 9545105 HVVYJNOJSWYGSE-UHFFFAOYSA-N 461.455 1.775 50 40 JDGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2Br)c2ccccc21 1889125 WPCPIUKHCSJKQS-PLRJNAJWSA-N 487.310 1.609 50 40 JDGB O=C(CCCN1C(=O)c2ccccc2C1=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 9562365 HXOJOJCTDHSKQF-UHFFFAOYSA-N 463.538 1.423 50 40 JDGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 9632299 UFDYHOJJNZRZBT-UHFFFAOYSA-N 498.561 1.730 50 40 JDGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)N(CCN1CCOCC1)c1ccccc12 13629723 RRTNAUAJHDOTJO-SANMLTNESA-N 470.485 1.844 50 40 JDGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)N2CCCC2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 408868988 OQOGLDXALYLPIQ-MYKKPKGFSA-N 480.308 1.914 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1O 409246963 AABTUJCJYHGTTF-NPLBWUPPSA-N 461.256 1.141 50 40 JDGB C#CCOc1c(I)cc(/C=N\NC(=O)CN2CCOCC2)cc1OCC 60117971 KSOUMPDDMNPPEP-NDENLUEZSA-N 471.295 1.484 50 40 JDGB COc1ccc(CCNC(=O)CCC(=O)NNC(=O)Cn2ccc3ccccc32)cc1OC 199427998 VEUBGYDJQSNCNX-UHFFFAOYSA-N 452.511 1.945 50 40 JDGB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)ccc2Cl)C[C@@H](C)O1 12778822 SNDNBDIGPDPRMA-IJEWVQPXSA-N 494.035 1.244 50 40 JDGB COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1 408658776 RHTYFLWJBXQMTN-CQSZACIVSA-N 473.869 1.484 50 40 JDGB CCOc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1 1879554 QYTIXYKDDMFKIO-SSDVNMTOSA-N 463.414 1.970 50 40 JDGB COc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408785867 IVXNHLRSCJOQLZ-QFEZKATASA-N 463.450 1.632 50 40 JDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(OC)c2)c(OC)c1 409153284 HMPPNPSTYLZDON-AFUMVMLFSA-N 472.498 1.324 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1-c1ccc([N+](=O)[O-])cc1 1860757 NZPBVXLJNWUYMB-AWQFTUOYSA-N 464.358 1.480 50 40 JDGB N#C/C(=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)N1CCN(c2ccccc2)CC1 408848415 YSLUQOZKHCHTNN-HQSFBDMMSA-N 459.531 1.849 50 40 JDGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)CC1 408999674 VLIWPDYXQMAGDR-WGOQTCKBSA-N 481.553 1.398 50 40 JDGB COCc1cc(C)nc(OCC(=O)N/N=C\c2ccc(OCC(=O)N3CCOCC3)cc2)c1C#N 409017594 VGUBSHZDMIFTLW-ZMFRSBBQSA-N 481.509 1.175 50 40 JDGB CCCCn1nc(C(=O)NNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccccc2c1=O 2635379 RSHPQZFKNMTLOX-UHFFFAOYSA-N 458.496 1.591 50 40 JDGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccncc2)c(OC)c1 16682502 JDCUEHVCWOJPKQ-AXDLBROPSA-N 467.482 1.810 50 40 JDGB CC(C)Oc1ccc(NS(=O)(=O)CC(=O)NNC(=O)c2cc(Br)cn2C)cc1 40152791 PQENBSJRITYKAO-UHFFFAOYSA-N 473.349 1.778 50 40 JDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 58925100 WGSSMKMVIHXFRB-SRZZPIQSSA-N 498.355 1.917 50 40 JDGB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCC(=O)/C(C#N)=C(/C)N 104698366 QCRCYCSMSIFJIU-JXAWBTAJSA-N 455.492 1.929 50 40 JDGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(O)cc1O 408945077 KBSQSJJSEYCNTC-NRFANRHFSA-N 484.534 1.983 50 40 JDGB CSCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)c1ccc2c(c1)OCO2 12598825 PTXZFTSSMVCTDV-AWEZNQCLSA-N 476.536 1.037 50 40 JDGB CN(CC(=O)NNC(=O)CNC(=O)c1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 12864141 ODKFJXQBXFZLSC-UHFFFAOYSA-N 473.338 1.191 50 40 JDGB CN1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CCn3ccc4ccccc43)cc2)CC1 14940619 XFKMGSJYOKMWBP-UHFFFAOYSA-N 469.567 1.429 50 40 JDGB COc1cc(/C=N/NC(=O)CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 19799716 URGQQYNKTFIRBE-DWGHPKEWSA-N 488.497 1.729 50 40 JDGB O=S1(=O)C[C@@H](Cl)[C@H](NS(=O)(=O)c2cc(Br)ccc2Br)C1 157774724 FMPBXTVIPXCAEF-RKDXNWHRSA-N 467.588 1.894 50 40 JDGB COc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Br)cc3)CC2=O)cc1 408652699 GWALRBZTTOAKPN-AWEZNQCLSA-N 490.310 1.815 50 40 JDGB O=C(COC(=O)c1ccc(I)cc1)NNC(=O)c1cccc([N+](=O)[O-])c1 9634731 UMVGCKVCNXGZAR-UHFFFAOYSA-N 469.191 1.817 50 40 JDGB Cc1ccc(OCC(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1 12545320 RGSNDVDHAUOUQY-UHFFFAOYSA-N 460.556 1.686 50 40 JDGB Nn1c(COc2ccccc2F)nnc1SCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 23080944 GHEGWHHNKRHENV-UHFFFAOYSA-N 461.435 1.172 50 40 JDGB COc1ccc(Cl)cc1C(=O)NNCC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 102235346 LOFKZNOZQZHWKN-UHFFFAOYSA-N 466.878 1.070 50 40 JDGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1 408681355 HXOGZFDBFQJEJA-ANRWCUABSA-N 469.244 1.656 50 40 JDGB O=C(Cc1nnc(NC(=O)c2cc(O)nc(O)n2)s1)N/N=C/c1ccc(Br)cc1 408729889 DVSLEYLFZZBAIC-CNHKJKLMSA-N 478.288 1.447 50 40 JDGB CNC(=O)C1=C2S[C@@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@H]1c1ccc(C(F)(F)F)cc1 3764195 ICQGUOLSOICMCQ-GXTWGEPZSA-N 466.441 1.961 50 40 JDGB CCn1nc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)c2ccccc2c1=O 12817345 SSJOOEGFUYNUHD-OAHLLOKOSA-N 467.913 1.880 50 40 JDGB COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c(OC)c1OC 16321260 QFMKHSPTXYZHAJ-WSDLNYQXSA-N 478.527 1.442 50 40 JDGB Cc1cc(/C=N\NC(N)=O)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 96403062 HQTCRYUDZYKJCT-IWIPYMOSSA-N 474.587 1.717 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(C)c1 409152641 KQWVFQHACULBPF-WYMPLXKRSA-N 491.342 1.988 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)N1CCOCC1 409260584 SKRVXDWDTPSOSC-ZMOGYAJESA-N 474.901 1.675 50 40 JDGB CCN(CC)S(=O)(=O)c1ccc(C(=O)NN(C)C2=NS(=O)(=O)c3ccccc32)cc1 681976 ISPPEWVXCVEYJR-UHFFFAOYSA-N 450.542 1.443 50 40 JDGB N#CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2Br)c2ccccc21 2352941 JHDJNDNZNBZCBC-BWAHOGKJSA-N 454.284 1.960 50 40 JDGB COc1cc(C(=O)NC(=S)NNC(=O)CNC(=O)C2CCCCC2)cc(OC)c1OC 9288475 UFBUMAXHHYFMTM-UHFFFAOYSA-N 452.533 1.044 50 40 JDGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(C)(=O)=O)c(OC)c1 20210857 FIUKRHWCPOWLBU-OEAKJJBVSA-N 462.528 1.969 50 40 JDGB O=C(NNC(=S)NCCCN1CCOCC1)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 33523198 UGLBLNKJFJVMBA-UHFFFAOYSA-N 463.516 1.598 50 40 JDGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408785644 AFVNGCGYPPEXAD-VYYCAZPPSA-N 481.896 1.954 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c1-c1ccc2c(c1)OCO2 1872679 LNZHWIRXMQPZEK-ODCIPOBUSA-N 463.370 1.300 50 40 JDGB CCNC(=S)NNC(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 2661292 PODHFHHJOWSJQY-UHFFFAOYSA-N 453.502 1.533 50 40 JDGB COc1cc(OC)cc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)c1 9318295 FQTRYOFWMRMFAG-UHFFFAOYSA-N 486.344 1.596 50 40 JDGB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NNC(=O)c1ccc(Cl)cc1 9545746 QUCNDIALJCNWTA-UHFFFAOYSA-N 465.915 1.743 50 40 JDGB O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NNC(=O)COc1ccc(Br)cc1 9634131 AMXRPTFKQFBVKJ-UHFFFAOYSA-N 491.254 1.570 50 40 JDGB CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)NNC(=O)c1ccccc1Br 9984359 PPJQLVYKWWACLA-BOPFTXTBSA-N 460.284 1.931 50 40 JDGB COc1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc(OC)c1OC 12971847 QDYNYYOQOSPABD-CQSZACIVSA-N 471.466 1.298 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccnc1)c1ccc(I)cc1 409026097 GBRBIUMWJRXXIQ-VCHYOVAHSA-N 458.281 1.603 50 40 JDGB Cc1ccc(CN2C[C@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)CC2=O)cc1 9911064 UGMNHRQFGHNRSQ-LJQANCHMSA-N 472.567 1.120 50 40 JDGB O=C(O)CC[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 100747350 NRXFVCDLBRGEDJ-ZYTLVXFTSA-N 453.083 1.082 50 40 JDGB COc1cc(N/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc(OC)c1OC 102676112 ZMFOBFOOHNMBOO-KNGSKEOJSA-N 461.496 1.404 50 40 JDGB COC(=O)[C@H](Cc1nc2ccccc2nc1C)/C(=N\NC(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1 102949942 BEBKLCLJNBWQGB-XSCUNHFSSA-N 479.453 1.841 50 40 JDGB CC(=O)N[C@@H]1[C@H](OCCCCCCCl)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 103411694 YMILTQQBIHTPST-LCWAXJCOSA-N 465.927 1.458 50 40 JDGB COCCNC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408785880 JDIYLSXIPQXPEH-VROXFSQNSA-N 484.296 1.054 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)N1CCOCC1 409160233 PYYKITASNVBJJI-ZMOGYAJESA-N 474.901 1.675 50 40 JDGB COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1 409265704 OBLCOVGTRQWPSY-HUHXJTTESA-N 454.483 1.458 50 40 JDGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)cc1OC 408769249 PTYUKYOXBDHJGT-DEDYPNTBSA-N 450.473 1.918 50 40 JDGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)S(C)(=O)=O)c(OC)c1 408781481 SVWHIGSWRSICQS-CIAFOILYSA-N 451.501 1.637 50 40 JDGB COc1ccc(C(=O)NNC(=O)CSc2nnc(Cn3cnc4ccccc43)n2C)cc1 924608 YZODRSZRSOKGNK-UHFFFAOYSA-N 451.512 1.775 50 40 JDGB Nc1nonc1-n1nnc(CN2CCCC2)c1C(=O)N/N=C/c1ccc(Cl)cc1Cl 8873289 MTXKSUSCQDYZNY-ODCIPOBUSA-N 450.290 1.899 50 40 JDGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC)cc2)S(C)(=O)=O)cc1 16691615 TZORZTHHBBLABE-LPYMAVHISA-N 463.512 1.553 50 40 JDGB Cn1cnnc1SCc1c(C(=O)N/N=C/c2cccc(Cl)c2Cl)nnn1-c1nonc1N 9478251 QYQTZPISXOHTFH-DENHBWNVSA-N 494.328 1.724 50 40 JDGB Cc1ccccc1C(=O)NCC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 12976262 OEYGJXRXFARURY-UHFFFAOYSA-N 469.505 1.888 50 40 JDGB Cc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1[N+](=O)[O-] 408687667 USLJDFRVRPFCIJ-UXTSJCJBSA-N 453.245 1.956 50 40 JDGB COc1cc(/C=N/NC(=O)CCc2n[nH]c(=O)[nH]c2=O)ccc1OCc1ccccc1Cl 942817 SCWJCCOJICHHII-FOKLQQMPSA-N 457.874 1.782 50 40 JDGB Cc1cc(C(=O)NNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)o1 8883899 UQLQRFWMWQORNI-UHFFFAOYSA-N 496.973 1.624 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCCc2nc(-c3ccccc3)no2)cc1 12981462 FIFLXACHKLVYKS-UHFFFAOYSA-N 471.539 1.836 50 40 JDGB CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc(C(=O)OC)cc3)nnn2-c2nonc2N)c1 13811122 PKOGGTBVYVUYLS-WYMPLXKRSA-N 476.453 1.849 50 40 JDGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)NCc2ccccc2)c1 409268011 XSGBFAXQUIZHGO-JVWAILMASA-N 454.527 1.763 50 40 JDGB CN(C)c1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(N(C)C)cc2)C=3C#N)cc1 12414037 AIXIDOJZQNMFCW-UWYGHVLSSA-N 468.586 1.993 50 40 JDGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)N3CCCCC3)NC(=O)[C@@H]2C(=O)OC)cc1 409313307 PEPCYSGMBKJLQL-RBUKOAKNSA-N 471.535 1.957 50 40 JDGB Cn1c(/C=N/NC(=O)c2ccc(C(=O)N/N=C/c3c[n+]4ccccc4n3C)cc2)c[n+]2ccccc12 1611584 GQZVBUYLQOEKEO-DPCVLPDWSA-P 480.532 1.369 50 40 JDGB CC(=O)N[C@@H]1[C@@H](OCCCCCCCl)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 9974829 YMILTQQBIHTPST-OMZCGLGVSA-N 465.927 1.458 50 40 JDGB O=C(NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1)c1cc2c(s1)CCCC2 12817845 SEJDBJKXUJBIFT-UHFFFAOYSA-N 455.583 1.784 50 40 JDGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1)S(C)(=O)=O 20212243 MSPHHNNGCOAWSH-WSDLNYQXSA-N 465.528 1.946 50 40 JDGB O=C(Cc1ccccc1)N[C@@H](CSSC[C@H](NC(=O)Cc1ccccc1)C(=O)O)C(=O)O 4403923 DWRCRIMPBCLETK-ROUUACIJSA-N 476.576 1.992 50 40 JDGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(OCC(=O)OC)c2)S(C)(=O)=O)cc1 20210682 JITNUVPOBOMXAQ-LPYMAVHISA-N 463.512 1.553 50 40 JDGB COc1ccccc1N(CC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1)S(C)(=O)=O 408925840 QWQMLUSWAYJSHC-CIAFOILYSA-N 451.501 1.637 50 40 JDGB C/C(COc1ccccc1)=N\NC(=O)c1nnn(-c2nonc2N)c1CNc1ccccc1C(N)=O 9273773 OEKSEWFNVTUWCS-LGJNPRDNSA-N 490.484 1.128 50 40 JDGB COc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2C)cc1S(=O)(=O)N1CCOCC1 12995097 ZYCCNLJHWLOXAK-UHFFFAOYSA-N 497.957 1.518 50 40 JDGB C[C@H](C(=O)NC[C@H]1CCCO1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100833859 RGFIBPKBUNYJOT-JTRZNRRJSA-N 478.181 1.448 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cc(F)ccc2F)c1-c1ccc([N+](=O)[O-])cc1 1796314 JENIIDJFRNQFGB-GZIVZEMBSA-N 455.341 1.850 50 40 JDGB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 9910551 RPXHJZNPQJMBAM-UHFFFAOYSA-N 485.566 1.318 50 40 JDGB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 9913328 YPNFKTOPXBXTRA-SFHVURJKSA-N 467.931 1.972 50 40 JDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc(OC)c1O 13514420 QGLAKOQRXSYKNI-LSFURLLWSA-N 495.412 1.294 50 40 JDGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccc(Br)cc1 408671718 ZZVRONVCFVEPLK-DSIZOQBWSA-N 492.326 1.175 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(OC)cc1 409256300 NHZGGRAAZCKTPO-ZMOGYAJESA-N 454.483 1.840 50 40 JDGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)NC[C@@H]3CCCO3)NC(=O)[C@H]2C(=O)OC)cc1 409334920 NNOVQKSFMXMEOW-IPELMVKDSA-N 487.534 1.239 50 40 JDGB Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1C 9507039 XIEOZZDYSUNARK-IIBYNOLFSA-N 496.545 1.812 50 40 JDGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1cccc(N/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)c1 16693956 HEPBYCSRWKBAMW-YZLQMOBTSA-N 456.462 1.956 50 40 JDGB N#CC(C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)=C1Nc2ccccc2N1 35388408 UGLMKTCTBFDPEP-UHFFFAOYSA-N 481.534 1.606 50 40 JDGB CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)[C@@H](C(=O)OC)C(=O)N1 409336757 UPMYNZWAGUADIA-ZWKOTPCHSA-N 459.524 1.813 50 40 JDGB O=C1N=C(O)N(c2ccc(I)cc2)C(=O)/C1=C\NNC(=O)c1ccccc1O 2586814 VAIULGVDMMVOPG-LCYFTJDESA-N 492.229 1.603 50 40 JDGB COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)cccc2OC)cc1 408613322 YZCKAPYDJLWTGX-KXQYEYADSA-N 484.509 1.467 50 40 JDGB O=C(Cc1ccccc1)N[C@H](CSSC[C@@H](NC(=O)Cc1ccccc1)C(=O)O)C(=O)O 4403928 DWRCRIMPBCLETK-QZTJIDSGSA-N 476.576 1.992 50 40 JDGB COCc1cc(C)n(CC(=O)N/N=C\c2ccc(Br)c([N+](=O)[O-])c2)c(=O)c1C#N 409199325 CIBGJDXOISUUBN-WNFQYIGGSA-N 462.260 1.996 50 40 JDGB C[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 3317647 QQJYZVGKHBTNTK-NSHDSACASA-N 484.519 1.743 50 40 JDGB CCn1c(SCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)nnc1-c1cccs1 9376772 JZYWRIBJXJTDPT-UHFFFAOYSA-N 455.529 1.556 50 40 JDGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)cc1 12881185 HPWHGQNDGFNDER-CQSZACIVSA-N 451.501 1.496 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccc(OC)cc1 409268110 YDTWXZRNFZVMKO-RXJBCPCZSA-N 498.536 1.857 50 40 JDGB O=C(CNC(=O)c1ccccc1I)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 9348469 XTQKBECJTDMJCV-UHFFFAOYSA-N 493.217 1.402 50 40 JDGB CN(C)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 408729936 FGFZJBPAQGXEOK-CIAFOILYSA-N 453.484 2.457 50 40 JDGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2cccc(OCC(=O)OC)c2)S(C)(=O)=O)cc1 408924624 KXFQHYFIOJOFEO-BRABVMKYSA-N 477.539 1.942 50 40 JDGB CCOC(=O)C1=c2s/c(=C\c3ccccc3OC)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1OC 989256 DXLHDILGGZRHFL-MSTPFNHUSA-N 489.553 1.918 50 40 JDGB CN(Cc1c(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)nnn1-c1nonc1N)C1CCCCC1 2444642 XGHFIWOMZRLSKZ-SSDVNMTOSA-N 468.478 1.669 50 40 JDGB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)NNC(=O)c1ccc(Br)cc1 8760352 SEFWLLBPSRLXGG-MRXNPFEDSA-N 474.311 1.802 50 40 JDGB Cc1ccc(S(=O)(=O)NNC(=O)CCCCC(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1 8765696 IHSRESZWJORBPX-UHFFFAOYSA-N 482.584 1.183 50 40 JDGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=C1C(=O)Nc2ccccc21 408942104 FRVHKYNZXGWUEC-HXUWFJFHSA-N 493.545 1.894 50 40 JDGB Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1C 9507041 XIEOZZDYSUNARK-HRAATJIYSA-N 496.545 1.812 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)cc1 9882827 NSUIQUKNZHNJPQ-HXUWFJFHSA-N 478.546 1.357 50 40 JDGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 39948759 XIAKOUPYHNKVHK-CJVAQADSSA-N 468.478 1.669 50 40 JDGB COc1ccc(CNC(=S)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 9119953 APLFXFIXIXNCRB-UHFFFAOYSA-N 499.014 1.679 50 40 JDGB C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/C)C[C@](O)(CCl)[C@@H]1[C@H](OC(C)=O)C=C(C)[C@]21O 13386545 WVTMFOWXYVFVDE-SKPXZXNJSA-N 454.903 1.575 50 40 JDGB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 40009968 PFGHTYUUJQSLFM-CQSZACIVSA-N 479.518 1.547 50 40 JDGB C[C@H](/C(=N\NC(=O)C(N)=O)c1c(Cl)ccc(Cl)c1O)[C@@]1(O)C(=O)Nc2ccccc21 17191919 XCMZQLSKBKYPEW-BJKGCXKDSA-N 451.266 1.481 50 40 JDGB COc1cc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1O 30743096 YCNWBFGHEHONKT-UCQKPKSFSA-N 476.555 1.174 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3cc(Br)ccc3O)CC2)cc1 96304936 LFNWVKTYRXPYQA-XKZIYDEJSA-N 495.399 1.920 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)N1CCOCC1 409159658 WAHODQGJCPGNNX-WGOQTCKBSA-N 468.510 1.089 50 40 JDGB CN([C@H]1CCc2c(Br)cccc21)[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1=O 2087175597 YGSKMJZEYGWTQQ-VQTJNVASSA-N 471.160 1.879 50 40 JDGB CN(Cc1c(C(=O)N/N=C/c2ccc3c(c2)OCO3)nnn1-c1nonc1N)c1ccccc1 2390809 FJRZHYWHOYMSTF-AUEPDCJTSA-N 461.442 1.362 50 40 JDGB Cc1cc(C(=O)Oc2ccc(/C=N/NC(=O)c3c(C)nnn3-c3nonc3N)cc2)ccc1[N+](=O)[O-] 2542023 VYIBTPISZCEZNN-AUEPDCJTSA-N 491.424 1.741 50 40 JDGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 9506948 GGLQMOVDRWMDAL-CYBMUJFWSA-N 450.904 1.447 50 40 JDGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c1 58881552 BVSPNHFCDFUWAD-ORBAKXMTSA-N 454.483 1.458 50 40 JDGB COc1ccc(CNC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)cc1 408773129 GNELIRQFGXNVLD-QFEZKATASA-N 484.534 1.842 50 40 JDGB CCOc1cc(NC(C)=O)ccc1C(=O)NNS(=O)(=O)c1ccc(NC(C)=O)c(C(=O)O)c1 8781402 KYWDMFXCOGSFHJ-UHFFFAOYSA-N 478.483 1.324 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(O)c(OC)c2)c(OC)c1 408923941 MDOHPBBYGTWNHV-JRASGKOJSA-N 498.492 1.739 50 40 JDGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccccn1 1529548292 ZVTQUWODQJJAGF-VWXZLZIGSA-N 453.524 1.967 50 40 JDGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)c1OC 9293256 QIURCZXNHFLRDB-WYMPLXKRSA-N 477.485 1.650 50 40 JDGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(C)(=O)=O)c1 20211202 LZQFIIOJMCSTFO-OEAKJJBVSA-N 462.528 1.969 50 40 JDGB O=C(NNC(=O)[C@H]1Cc2ccccc2O1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 12984968 KHJJYUHQHSYFCF-OAQYLSRUSA-N 451.504 1.930 50 40 JDGB Cc1cc(NC(=O)CN2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)no1 226515246 VSVRKMIEBXLUGO-UUYJWRDASA-N 461.110 1.699 50 40 JDGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408654816 GWHCYEVKQJQFAC-WIOUJZMWSA-N 475.929 1.700 50 40 JDGB Cc1cccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(C)(=O)=O)c1 20207828 BIKSPUKMQMGJMG-HYARGMPZSA-N 475.527 1.656 50 40 JDGB CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]2N[P@@](=O)(N(CCCl)CCCl)O[C@@H]21 301054398 FBZORRAABBPNRU-ASUGPFSASA-N 480.293 1.027 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C2\C(=O)Nc3ccccc32)c1CSc1ccccc1 2373701 XLFAMTKPQFHCMS-UHFFFAOYSA-N 461.467 1.611 50 40 JDGB CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc4c(c3)OCO4)nnn2-c2nonc2N)cc1 2403877 BEKZTYVJXYUVTQ-AUEPDCJTSA-N 462.426 1.791 50 40 JDGB Cc1ccccc1-n1nnnc1SCC(=O)NNC(=O)C[C@H]1Sc2ccccc2NC1=O 9632027 BNAGJGJRGYNOOX-MRXNPFEDSA-N 469.552 1.713 50 40 JDGB Cn1c(=O)n(CC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c2ccccc21 14310627 QTGMJFHBZKQDMG-UHFFFAOYSA-N 493.545 1.280 50 40 JDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(OC)c(OC)c2OC)cc1 16186901 VOWHKQVQFBRVKU-CIAFOILYSA-N 451.501 1.492 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])c1CN1CCCc2ccccc21 25783806 GBGMHXGAHAJLKT-MSXFZWOLSA-N 488.468 1.857 50 40 JDGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 32999509 MOIBQTRPMJAMFQ-CYBMUJFWSA-N 471.532 1.066 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1C 409166419 DHJCIAHTMFVJPO-WYMPLXKRSA-N 491.342 1.988 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)c3cc(C)oc3C)CC2)cc1 10216899 IPKVXCZNXGYKBV-UHFFFAOYSA-N 476.555 1.279 50 40 JDGB COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@@H](NNC(=O)c3ccc(Cl)cc3)C2=O)c1 16739416 SXIHESPTKRWBIW-MRXNPFEDSA-N 459.842 1.480 50 40 JDGB COc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(=O)C(C)C)cc3)C2=O)c1 408528063 AREJGXGOXDWLND-AMAFCZHPSA-N 465.466 1.905 50 40 JDGB COC(=O)c1cc(OC)c(OC)cc1N/C=C1\C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 8993271 CHKIKPGPKUTIGG-YDRQLGOLSA-N 489.506 1.182 50 40 JDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NCc3cccnc3)o2)cc1C 408881796 KPUUBFIZGSVGIY-MUXKCCDJSA-N 476.493 1.313 50 40 JDGB COc1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc(OC)c1OC 842376 TVTJPYLNDBKWBN-UHFFFAOYSA-N 477.539 1.962 50 40 JDGB Cn1cnnc1SCc1c(C(=O)N/N=C/c2ccc(Cl)cc2Cl)nnn1-c1nonc1N 9497566 TVYKPMBLWGFOOD-DENHBWNVSA-N 494.328 1.724 50 40 JDGB COc1ccc(NC(=S)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 13556576 ACFMJXAWJLAZCV-UHFFFAOYSA-N 450.542 1.348 50 40 JDGB O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 15930089 RPIOOQPVKDWDNP-FYJGNVAPSA-N 468.499 1.650 50 40 JDGB COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccs1)C=2C(=O)Nc1ccc(C)c(C)c1 3764677 KFNUHLYTJQBZFF-WSDUQJHMSA-N 492.582 1.779 50 40 JDGB COc1ccc(C(=O)NCC(=O)N/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)cc1OC 15134310 QFRLDRKKDIXAKI-WNFQYIGGSA-N 481.259 1.960 50 40 JDGB CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)cc1OC 22698284 SCCGUVWYADXKFS-INIZCTEOSA-N 465.503 1.847 50 40 JDGB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)NNC(=O)c2ccc(OC)cc2)cc1 9583836 LRESCRPWZXOABA-OVCLIPMQSA-N 489.550 1.743 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCCCC1)c1ccc([N+](=O)[O-])cc1 13425196 MTVGIEWKWUEUFW-CIAFOILYSA-N 454.451 1.281 50 40 JDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 9318187 CLRMHNJOUVHHCI-SFHVURJKSA-N 463.487 1.214 50 40 JDGB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NNC(=O)c1csc(N2CCOCC2)n1 11605912 RVDPEDQPVPFGDY-UHFFFAOYSA-N 457.560 1.580 50 40 JDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1 23139927 KMRRRESUKTXDST-UHFFFAOYSA-N 487.626 1.296 50 40 JDGB COc1ccc(OC)c(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)c1 408682665 LDMYLCSZVYZUCF-NRHSGRHJSA-N 485.320 1.651 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCOCC1)c1ccc(Cl)c(Cl)c1 20080488 FDLPWIKCKRIHKB-LSHDLFTRSA-N 480.316 1.526 50 40 JDGB COc1cc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(O)c(OC)c2)C=3C#N)ccc1O 1901960 VXXCVDRTZFXXIN-YBETYGMLSA-N 474.498 1.290 50 40 JDGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 3414132 KSYNEVQBVXQRCY-UHFFFAOYSA-N 471.894 1.583 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c1CN1CCCc2ccccc21 35973956 HAUGYXKLMYLMRU-MSXFZWOLSA-N 488.468 1.857 50 40 JDGB CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]2N[P@](=O)(N(CCCl)CCCl)O[C@H]21 301054400 FBZORRAABBPNRU-XDWSGVQPSA-N 480.293 1.027 50 40 JDGB COc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccc(NC(=O)C(C)C)cc2)C1=O 408528599 BOOFKXBZJICDMT-UPVZUOOXSA-N 465.466 1.905 50 40 JDGB COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(OC)c1 9368775 RBBMGWVBFYSYCV-ZVHZXABRSA-N 474.539 1.368 50 40 JDGB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NNC(=O)c3ccccc3)c2)C[C@@H](C)O1 20817140 UWDQKNWWWUAOML-HZPDHXFCSA-N 475.523 1.103 50 40 JDGB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)NNC(=O)c1ccc(Cl)cc1 408654045 JFQRZONDZOPSAC-AWEZNQCLSA-N 493.303 1.491 50 40 JDGB Cc1ccc(S(=O)(=O)OC[C@@H]2OCO[C@@H]2[C@H]2OCO[C@H]2CI)cc1 5249493 TXLZNXHDIREUAS-AJNGGQMLSA-N 470.281 1.618 50 40 JDGB COc1c(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] 408721141 LDPDHMJYAIVVOT-ODCIPOBUSA-N 481.385 1.644 50 40 JDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 409151674 CVAJOYRKQSTKQZ-DHRITJCHSA-N 460.462 1.455 50 40 JDGB NC(=O)COc1ccc(/C=N\NC(=O)COc2ccccc2I)cc1 408963417 NWQYGWDKOZBUKX-UKWGHVSLSA-N 453.236 1.684 50 40 JDGB NC(=O)COc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 8451714 TZPRSIIPVDQEPD-BYWZACNXSA-N 464.931 1.508 50 40 JDGB COc1ccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc1CSc1nnc(C)s1 2542024 YSWBAZAEXDNYSO-IFRROFPPSA-N 486.543 1.766 50 40 JDGB COc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc([N+](=O)[O-])cc3)n2)cc1OCC(N)=O 8780745 CJUXIEXSBPKRPD-FOKLQQMPSA-N 452.427 1.476 50 40 JDGB COc1ccc(/C=C/C(=O)NNC(=O)COc2cccc(C)c2)cc1S(=O)(=O)N1CCOCC1 9661986 HFCZVCXDXFXLAY-VQHVLOKHSA-N 489.550 1.264 50 40 JDGB CS(=O)(=O)N1CCCc2cc(C(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)ccc21 9963067 HVPVCKAQBZJDGG-UHFFFAOYSA-N 485.610 1.372 50 40 JDGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 12702688 FHBQQPHYPLFIMP-CQSZACIVSA-N 453.565 1.696 50 40 JDGB COC(=O)C1=c2s/c(=C/c3ccc(F)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(F)cc1 13755937 DKVJJYTVPPFIIZ-LTXFRBGYSA-N 451.454 1.789 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1O 20175554 UVRWKUWAJOQNMI-KEBDBYFISA-N 477.299 1.777 50 40 JDGB CN(Cc1c(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)nnn1-c1nonc1N)c1ccccc1 9015735 YZJBJVQGBFZXSN-SSDVNMTOSA-N 462.430 1.541 50 40 JDGB C/C(=N\NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCCO2 13150101 UUCBOPJFLYHIJI-JJIBRWJFSA-N 473.551 1.952 50 40 JDGB N#CCOc1c(Br)cc(/C=N\NC(=O)CN2CCOCC2)cc1Br 59246548 OQWGYUFKGHFEFD-OCKHKDLRSA-N 460.126 1.896 50 40 JDGB O=C(N[C@H](C(=O)N/N=C\c1ccc(O)cc1O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 85889428 GULJHSFZGTYVKV-CLVGQAISSA-N 457.446 1.956 50 40 JDGB COc1ccc(OCC(=O)N/N=C\c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)cc1 409016636 VDLCQUDJCGPHGG-OYKKKHCWSA-N 457.483 1.471 50 40 JDGB COc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(C)(=O)=O)cc1Cl 409338651 NRWYUGSYFAKNGD-RELWKKBWSA-N 450.904 1.612 50 40 JDGB Cc1[nH]c(C(=O)N/N=C/c2ccc(O)cc2O)c(C)c1C(=O)N/N=C/c1ccc(O)cc1O 16249228 HFGRSAGTYKHQAR-WDBPGAOMSA-N 451.439 1.982 50 40 JDGB O=C(Cn1c(=O)sc2ccccc21)N/N=C/c1cccc(OC(=O)C[C@@H]2SC(=O)NC2=O)c1 32598139 ZTUAIDUFUCUBSZ-CPHRPENTSA-N 484.515 1.860 50 40 JDGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 58881734 DDXIABRDZIYFKN-KXQYEYADSA-N 468.510 1.766 50 40 JDGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)NNC(=O)c1ccccc1 408657204 GUYRDSZZVRDAFB-LVNJIZSUSA-N 459.458 1.616 50 40 JDGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl)Nc1cccc([N+](=O)[O-])c1 408669962 WMEVKEGFLLIMBU-DJWYYIDESA-N 470.265 1.542 50 40 JDGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 58884266 YKINTBRQXXPMQX-VXYNXWTBSA-N 452.511 1.688 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)CCNC(=O)/C=C/c3ccccc3)C2)cc1 12786473 ZGDNFJOTZBUDLM-QGFLDLQWSA-N 498.605 1.763 50 40 JDGB COc1cc(/C=N/NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(OC)c1 13074649 GBOMGHQRLOMPKD-XQNSMLJCSA-N 461.540 1.808 50 40 JDGB Cc1ccccc1-n1nnnc1SCC(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 13130824 VXNRVAGARSNRQD-GFCCVEGCSA-N 469.552 1.957 50 40 JDGB COc1ccc(Cl)cc1C(=O)NNC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl 13137208 TYJSHAJPUBLROU-UHFFFAOYSA-N 487.727 1.963 50 40 JDGB COC(=O)COc1cccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1 20214806 GUONIXOGWMSKBD-IKMPRTQCSA-N 463.512 1.552 50 40 JDGB CCc1cccc(N2C[C@@H](C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)CC2=O)c1 24835674 PRMWLVAPVZLMIL-KRWDZBQOSA-N 458.540 1.313 50 40 JDGB COc1cc(/C=C2/SC(=S)N(CC(=O)NNC(=O)c3ccccc3O)C2=O)ccc1O 2973726 DAXUKZHZALSNFR-CXUHLZMHSA-N 459.505 1.769 50 40 JDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 408997170 LLWJDZVJDUXABL-WSSSDRMFSA-N 468.510 1.136 50 40 JDGB O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 13101277 XISFXWLXMAHMNW-UHFFFAOYSA-N 457.367 1.209 50 40 JDGB CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1 408663606 AOXALDWBZPCSMK-KRWDZBQOSA-N 453.451 1.221 50 40 JDGB N#Cc1ccc(OCC(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 9597039 OXMXHAYPWBESOQ-UHFFFAOYSA-N 462.915 1.836 50 40 JDGB C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)C[C@](O)(CCl)[C@@H]1[C@H](OC(C)=O)C=C(C)[C@]21O 13386544 WVTMFOWXYVFVDE-XIZMLYTCSA-N 454.903 1.575 50 40 JDGB O=C(NNC(=O)N1CCN(Cc2ccccc2F)CC1)c1ccc2c(=O)n3c(nc2c1)CCC3 12569364 MXCPHCIFHCAWQF-UHFFFAOYSA-N 464.501 1.654 50 40 JDGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1)NC[C@@H]1CCCO1 19594680 GEPOUGVGMMDSAK-BATDETSNSA-N 480.565 1.957 50 40 JDGB C[C@@H]1CCCCN1Cc1c(C(=O)N/N=C\c2ccc([N+](=O)[O-])s2)nnn1-c1nonc1N 33904299 UGYSUEFCKYQKBZ-AFWYBORESA-N 460.480 1.341 50 40 JDGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCOC)cc2OC)cc1 409159154 QEBLIYPJIOOMEA-AFUMVMLFSA-N 456.499 1.488 50 40 JDGB CCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CNc2ccccc2C(N)=O)cc1 2447423 WSDZFJOXIQOWLJ-KBKYJPHKSA-N 490.484 1.106 50 40 JDGB COc1cc(OC)c(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1 12467827 NLLAIUBCUBMISA-IWIPYMOSSA-N 490.582 1.477 50 40 JDGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2Br)c2ccccc21 13774339 QIMKQTKJXZBRMW-MOHJPFBDSA-N 473.283 1.219 50 40 JDGB CC(=O)Nc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc1 1778781 IPBSMONBWIHSJP-LSHDLFTRSA-N 476.413 1.530 50 40 JDGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC 408785298 YFAJYYCQJBRZLK-DEDYPNTBSA-N 450.473 1.918 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCC(=O)Nc1ccc(OC)cc1 409155883 RHZXABZFXPWDEN-AFUMVMLFSA-N 472.498 1.324 50 40 JDGB O=C(CCC(=O)Nc1ccccc1)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 12137572 RVPIQCBTTAKKOS-UHFFFAOYSA-N 470.551 1.993 50 40 JDGB CN(CC(=O)N/N=C/c1ccccc1C(=O)O)S(=O)(=O)c1ccc(Br)cc1 16187151 UAXCOURPDZCKKE-VXLYETTFSA-N 454.302 1.918 50 40 JDGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(C(=O)O)cc3)CC2)cc1OC 408974076 WTNANXQFKVLXNR-OEAKJJBVSA-N 475.523 1.953 50 40 JDGB COC(=O)c1ccc(COc2ccc(/C=N/NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2OC)o1 2199426 GLBAKTYAJHSPEA-ODCIPOBUSA-N 457.399 1.909 50 40 JDGB C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NNC(=O)c4cccc(O)c4)cn1c23 3426259 WCPNHILQQFJUOR-CQSZACIVSA-N 495.511 1.626 50 40 JDGB Cn1c(CC(=O)NNC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2ccccc21 6095045 YYKUOJWHNOFYBJ-UHFFFAOYSA-N 488.595 1.155 50 40 JDGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c(N3C[C@H](C)O[C@H](C)C3)nc12 9075764 LHOKHXFDQNQIHG-RZGVFDDGSA-N 451.527 1.819 50 40 JDGB COc1ccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc1CSC1=NCCS1 2542025 RJGFRDJWTAWXTE-ODCIPOBUSA-N 473.544 1.649 50 40 JDGB COc1ccc(C(=O)NCC(=O)N/N=C/c2c[nH]nc2-c2ccc(OC)c(OC)c2)cc1OC 14923110 KCIWHSDLDMNYRF-OPEKNORGSA-N 467.482 1.991 50 40 JDGB CC(C)OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 408664393 QOGCNZVLRUNMJM-UHFFFAOYSA-N 455.467 1.975 50 40 JDGB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408687845 VGTLWENGOWFWLD-HRTQJFGHSA-N 451.273 1.698 50 40 JDGB COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)c1 408787097 REEDOVDMJVJERF-WGARJPEWSA-N 477.477 1.940 50 40 JDGB C#CCOc1c(I)cc(/C=N\NC(=O)CN2CCOCC2)cc1OC 408998826 QNARSQJBLQLMNJ-ODLFYWEKSA-N 457.268 1.094 50 40 JDGB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)Cc1ccc(Cl)cc1 15529960 VMKHHKXHZYJIOA-UHFFFAOYSA-N 465.959 1.684 50 40 JDGB O=C(COc1ccc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)cc1)NC[C@@H]1CCCO1 58873170 CJGBFZVVLROBFV-AUSPTEDFSA-N 466.538 1.560 50 40 JDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 409170828 XJQCRUNZBITAIE-KIBLKLHPSA-N 452.389 1.928 50 40 JDGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)NC[C@H]3CCCO3)NC(=O)[C@@H]2C(=O)OC)cc1 409334911 NNOVQKSFMXMEOW-ATZDWAIDSA-N 487.534 1.239 50 40 JDGB C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 12416693 GBJFARCYEAIFKO-NRFANRHFSA-N 454.395 1.445 50 40 JDGB CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)c2ccccn2)c1 15341684 VJOYZRVDUUAMHD-UHFFFAOYSA-N 455.334 1.949 50 40 JDGB COc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(OC)ccc2OC)c(OC)c1 16187363 UAFLUOLZMHXZAO-MTJSOVHGSA-N 451.501 1.492 50 40 JDGB O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1cccc(S(=O)(=O)N2CCOCC2)c1 3202346 WKFXTIQUEBIYES-RGVLZGJSSA-N 468.875 1.739 50 40 JDGB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)NNC(=O)c1ccccc1 408651754 DTGVASQYAKIWJG-AWEZNQCLSA-N 460.284 1.806 50 40 JDGB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)NNC(=O)c1ccc(Br)cc1 8760353 SEFWLLBPSRLXGG-INIZCTEOSA-N 474.311 1.802 50 40 JDGB N#C/C(=C\c1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 9003815 BSFQJKYETXNHQK-GOFCXVBSSA-N 468.466 1.836 50 40 JDGB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H](C)Oc3ccccc3F)c2)C[C@@H](C)O1 13011931 QKOBKWGCGQOBGA-OWCLPIDISA-N 479.530 1.852 50 40 JDGB COc1cc(C(=O)NNC(=O)COc2ccccc2C)ccc1OCC(=O)N1CCOCC1 15877468 OQGXKDZNCNQGLS-UHFFFAOYSA-N 457.483 1.081 50 40 JDGB O=C(NNC(=O)[C@H]1CCCN(c2ncccn2)C1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 23110342 LIYIGEBCJKZJPB-FQEVSTJZSA-N 494.577 1.633 50 40 JDGB CN(C)Cc1c(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)nnn1-c1nonc1N 2193360 LOZDLNVGMBQAEK-LGJNPRDNSA-N 497.523 1.911 50 40 JDGB CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc4c(c3)OCO4)nnn2-c2nonc2N)c1 9346413 RUMGKKAEJHYLBB-AUEPDCJTSA-N 462.426 1.791 50 40 JDGB COc1ccc(NC(=S)NNC(=O)CCNS(=O)(=O)c2ccccc2F)cc1OC 9442264 GQMWSXBZMXCISR-UHFFFAOYSA-N 456.521 1.529 50 40 JDGB O=C(N/N=C/c1ccc(N2CCOCC2)s1)C(=O)N/N=C/c1ccc(N2CCOCC2)s1 12564644 XRMJPHDEIWTMCB-JFMUQQRKSA-N 476.584 1.083 50 40 JDGB CCOC(=O)C1=NO[C@H](Cc2c(/C=N/NC(=O)c3ccncc3)c3c(c(OC)c2OC)OCO3)C1 15085452 VINAHFYMEOOIJH-WGLQYDGWSA-N 484.465 1.842 50 40 JDGB COc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c(OC)c1 17399223 CMASMRHJNGMJCG-MRXNPFEDSA-N 461.540 1.874 50 40 JDGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(O)cc1O 1529544618 KBSQSJJSEYCNTC-RTMRUCDXSA-N 484.534 1.983 50 40 JDGB CCOc1ccccc1/C(C)=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C 9233818 CJWPPAMPPXSDQI-SSDVNMTOSA-N 483.518 1.206 50 40 JDGB O=S(=O)(O)CCOC[C@@H]1CSSC[C@@H](COCCS(=O)(=O)O)SS1 12658014 KQUKTPXDCNNGOC-NXEZZACHSA-N 460.664 1.309 50 40 JDGB biogenic C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)cc1 105496879 CPMYAPPOEULCFM-FCUDFIOSSA-N 483.550 1.981 50 40 JDGB C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1ccc(S(=O)(=O)NCCCC(=O)O)cc1 33044157 HJZQQYULMWOYJF-BUVRLJJBSA-N 479.584 1.869 50 40 JDGB CCOc1ccc(C(=O)NNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1OC 15761838 MZEGZBCTIWGXKQ-QGZVFWFLSA-N 465.503 1.847 50 40 JDGB CCN(CC)c1ccc(C(=O)NNC(=O)CN2CCN(CC(=O)NCc3ccccc3)CC2)cc1 22820729 VSTDPZZFINSNAU-UHFFFAOYSA-N 480.613 1.228 50 40 JDGB Cc1ccc(NC(=S)NNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 40050252 KLLVMDWJTQXTDH-QGZVFWFLSA-N 476.580 1.937 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2C)c1 409158944 YOLVKMYVIJYVQZ-WYMPLXKRSA-N 491.342 1.988 50 40 JDGB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 9003819 LLOXWYUYKBVEIB-STTHAQSSSA-N 480.502 1.706 50 40 JDGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408926034 NAXMUWOVVBSWFJ-QIWJOQEQSA-N 460.556 1.895 50 40 JDGB COCCNC(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)[C@@H](C(=O)OC)C(=O)N1 409309760 MBTUZEIXPDACPJ-JKSUJKDBSA-N 482.356 1.683 50 40 JDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C)cc1CSc1nnc(C)s1 2321288 MUQMYLWMMCFVDR-IFRROFPPSA-N 486.543 1.766 50 40 JDGB O=C1NC(=O)N(c2ccc(I)cc2)C(=O)/C1=C/NNC(=O)c1ccncc1 13810138 ZUOWDYJSJAUMSY-UKTHLTGXSA-N 477.218 1.088 50 40 JDGB Cn1nc(C(=O)NNC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2c1=O 25514168 IFHZZNFJMIJACZ-SFFYXXADSA-N 477.565 1.902 50 40 JDGB COc1cccc(N(CC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)S(C)(=O)=O)c1 16228028 NOBTXUURAYAKIQ-UHFFFAOYSA-N 481.328 1.696 50 40 JDGB COc1cccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)c1OC(=O)c1ccccc1 2542050 OQUBEXLEEAKOFM-FOKLQQMPSA-N 462.426 1.533 50 40 JDGB O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N/N=C/c1c[nH]c2ccccc12 9368777 RCVGOGLSUXDSMT-AFUMVMLFSA-N 453.524 1.833 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNS(=O)(=O)c3c(C)n[nH]c3C)cc2)cc1 9637295 LRVDQHVJEQGBIM-UHFFFAOYSA-N 491.595 1.779 50 40 JDGB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H](C)Oc3ccccc3F)c2)C[C@@H](C)O1 13011930 QKOBKWGCGQOBGA-BZUAXINKSA-N 479.530 1.852 50 40 JDGB Cn1c(=O)n(CC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c2ccccc21 14339229 HORUVWGVXBLCFY-UHFFFAOYSA-N 482.504 1.503 50 40 JDGB C[C@@H]1C[C@H]1C(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 23187774 DWVDESAGLSJIJW-SJKOYZFVSA-N 464.931 1.674 50 40 JDGB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)NNC(=O)c1ccccc1 18422295 MKYUGFORVSLZBH-NRFANRHFSA-N 471.469 1.898 50 40 JDGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)N/N=C/c1ccc(O)c(O)c1 59498761 ZVSYFHLKCLETJB-UFWORHAWSA-N 487.410 1.711 50 40 JDGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)NCc3ccco3)NC(=O)[C@H]2C(=O)OC)cc1 409304088 PYXTWQLWCUFAJC-MOPGFXCFSA-N 483.502 1.854 50 40 JDGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3cccnc3)cc2)cc1 58873933 JRVBMVJKCCBAOV-JFLMPSFJSA-N 461.478 1.874 50 40 JDGB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccccc1 408654266 BCLDUMPATUKWDX-QHHCOUFXSA-N 489.528 1.633 50 40 JDGB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)NNC(=O)[C@H]1COc2ccccc2O1 12521850 HSGBZHLFZZABKV-LJQANCHMSA-N 464.444 1.815 50 40 JDGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C/c1ccccn1 36006888 JNSYAOKXXYGVSP-FYJGNVAPSA-N 466.361 1.301 50 40 JDGB COc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409062844 BQRCDKBCCQNEBS-QRVIBDJDSA-N 471.470 1.403 50 40 JDGB CSCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)c1ccc2c(c1)OCO2 12598824 PTXZFTSSMVCTDV-CQSZACIVSA-N 476.536 1.037 50 40 JDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 20212094 TZWIOEWGTKNJJG-SSDVNMTOSA-N 483.930 1.817 50 40 JDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC(=O)/C(C#N)=C(/C)N)C(C)C)c1 104205022 HQDFMHIOAYIUAM-PUWPPSGDSA-N 478.571 1.340 50 40 JDGB Cc1ccc(N2C(=O)[C@@H](/C=N/NC(=O)COc3ccccc3[N+](=O)[O-])C(=O)NC2=S)cc1 408753243 FUOODSSJRHRFGQ-MNUWJXFPSA-N 455.452 1.448 50 40 JDGB COCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)NCc1ccccc1 409153176 LBCYCECGZHTORY-VULFUBBASA-N 460.918 1.638 50 40 JDGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)N3CCCC3)NC(=O)[C@H]2C(=O)OC)cc1 409309806 MQIKYDRNLFQOID-ROUUACIJSA-N 457.508 1.567 50 40 JDGB COc1cc(C(=O)NNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)cc(OC)c1OC 9128405 PMCYKYKOCUKBCM-UHFFFAOYSA-N 483.568 1.562 50 40 JDGB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)NC(C)(C)C(=O)NNC(=O)OC(C)(C)C 36367468 SNLDOLGYCJWVFX-HUUCEWRRSA-N 493.561 1.257 50 40 JDGB biogenic COc1ccc(C(=O)NCC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1OC 2281223 YFLUVERPVNEMFB-UHFFFAOYSA-N 461.272 1.669 50 40 JDGB COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)cc1OC 12289576 PVKUGUWTLJENHR-PKNBQFBNSA-N 470.551 1.836 50 40 JDGB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NNC(=O)c2ccc(OC)c(OC)c2)C(C)C)c1 28776330 RZSMIGLZFXPNSN-HXUWFJFHSA-N 459.499 1.937 50 40 JDGB COCCCNC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408784012 QICCUAIPYDGOFT-NHDPSOOVSA-N 456.908 1.014 50 40 JDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 8452157 MDKAWJUHDFUQJY-SRZZPIQSSA-N 498.355 1.917 50 40 JDGB COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-] 1777164 QDZPYKWUBNUSDW-RGVLZGJSSA-N 463.472 1.333 50 40 JDGB O=C(O)CC[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@H](Br)[C@@H]3Br 8414187 NRXFVCDLBRGEDJ-ICYFKVQASA-N 453.083 1.082 50 40 JDGB COc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCCC1 9721735 IQBMHFIHQRZPBY-SFHVURJKSA-N 461.496 1.081 50 40 JDGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 12881161 DWOXVASIIOCMKN-MRXNPFEDSA-N 456.524 1.961 50 40 JDGB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)cc1 13134726 WWCGZKGKPGOIFU-UHFFFAOYSA-N 471.539 1.795 50 40 JDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1)NC[C@H]1CCCO1 58873595 XKZXKNGJNZLZPQ-SPIWIXLJSA-N 472.929 1.781 50 40 JDGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408654819 GWHCYEVKQJQFAC-XRJOUIEWSA-N 475.929 1.700 50 40 JDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)c(OC)c1 409165695 ATAPYICPQUKKEY-VULFUBBASA-N 470.526 1.932 50 40 JDGB CSCC[C@@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 102072704 OFWVXUGPCJUTIZ-NOZJHKSTSA-N 455.168 1.971 50 40 JDGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccc(OCC(=O)OC)c2)S(C)(=O)=O)cc1 408924627 KXFQHYFIOJOFEO-YQCVNYCESA-N 477.539 1.942 50 40 JDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 3425695 AHQJDWWREHGNOH-HXUWFJFHSA-N 459.524 1.852 50 40 JDGB CCN(CC)C(=O)CNS(=O)(=O)c1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 95481766 NHDWJEYPPLLWCB-FYJGNVAPSA-N 461.500 1.505 50 40 JDGB O=C=Nc1ccc(OC(=O)COC(=O)CCC(=O)OCC(=O)Oc2ccc(N=C=O)cc2)cc1 209438079 HTYIRTYNTSYZGE-UHFFFAOYSA-N 468.374 1.999 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)CCNC(=O)/C=C/c3ccccc3)C2)cc1 12786478 ZGDNFJOTZBUDLM-KVDXNUTJSA-N 498.605 1.763 50 40 JDGB CNC(=O)/C(C#N)=C/c1c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c(C)cccn2c1=O 20502135 OAVIGZWGZJGEQA-CPNJWEJPSA-N 486.532 1.707 50 40 JDGB COc1cccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1OC 30735459 FNCGYWCXHJUKDP-HAHDFKILSA-N 460.556 1.469 50 40 JDGB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)NNC(=O)c1ccc(Cl)cc1 408655018 HEJYROYMQOGFRQ-CYBMUJFWSA-N 460.830 1.606 50 40 JDGB Cn1cnnc1SCc1c(C(=O)N/N=C/c2c(F)cccc2Cl)nnn1-c1nonc1N 2446783 CXSZJVVZVWUWBM-DENHBWNVSA-N 477.873 1.210 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)c1ccc(Br)cc1 28213312 ARRQINUSEWPYBR-UFFVCSGVSA-N 483.344 1.230 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCC(=O)Nc1c(C)cccc1C 409157974 QTTCTEDGLAIALE-VULFUBBASA-N 470.526 1.932 50 40 JDGB C=CCNC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 408767088 IQOMPASJKLKQJA-JMIUGGIZSA-N 469.317 1.273 50 40 JDGB O=C(O)CC[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 8414189 NRXFVCDLBRGEDJ-XCJJGJDPSA-N 453.083 1.082 50 40 JDGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C/c1cccs1 36001064 XKGSGAYAKRLQFS-XDHOZWIPSA-N 471.402 1.967 50 40 JDGB C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1 5028626 QLCVNZBNTGHOQV-OXJNMPFZSA-N 498.492 1.922 50 40 JDGB Cc1csc(CC(=O)NNC(=O)CN(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 14934072 SGOSGGMHLPVWDY-UHFFFAOYSA-N 459.450 1.611 50 40 JDGB Cc1ccc(S(=O)(=O)NCCC(=O)NN(C)C)c(C)c1N(C)S(=O)(=O)c1ccccc1 95117019 FQOMJRRYUIAUKH-UHFFFAOYSA-N 468.601 1.390 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c(OC)c1 111495627 CCRDCHSABGMUBS-QSPUHLNFSA-N 487.425 1.526 50 40 JDGB CC(=O)N[C@@H]1[C@H](OCCCCCCCl)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 245225892 YMILTQQBIHTPST-USYVTKNRSA-N 465.927 1.458 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C)c1ccc(Cl)s1 9234015 CBWYXYCCPGWOGL-FBCYGCLPSA-N 479.939 1.522 50 40 JDGB Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc(Br)cc1 16098485 TWTGUAIRCJOHJL-UHFFFAOYSA-N 461.363 1.674 50 40 JDGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 408537051 UKYKLINJYAXQOZ-IEEVUCOHSA-N 474.227 1.972 50 40 JDGB O=C(COC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)NNC(=O)c1ccccc1Cl 408657172 GMPOQRVEAMBTRB-CQSZACIVSA-N 485.880 1.733 50 40 JDGB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\NNC(=O)c1ccccc1O 2198883 QJVNGHFLPMZBHF-LCYFTJDESA-N 450.398 1.977 50 40 JDGB COc1cccc(/C=N/NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1OC 8824674 HNDDDMSDCFHJSK-XQNSMLJCSA-N 461.540 1.808 50 40 JDGB COc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)c3cccnc3)C2=O)cc1OC 11565459 NBRSTJJSDIRBIY-SXGWCWSVSA-N 458.521 1.761 50 40 JDGB CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)cc1 32928258 UZAMGULCZDGKDS-HXUWFJFHSA-N 491.566 1.965 50 40 JDGB COc1ccc(/C=N/NC(=O)COCC(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1OC 17024730 SBGHMCCNNNCIBD-ASIDMNOUSA-N 458.471 1.338 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)cc1 23114245 JAWXPJYGBVDEBI-UHFFFAOYSA-N 499.597 1.215 50 40 JDGB COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)c1 408660346 NUONDOYHIFPHQD-ZDUSSCGKSA-N 475.885 1.715 50 40 JDGB CCOC(=O)C1=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 2196931 MJVDVUXZTWTADF-MSTPFNHUSA-N 489.553 1.918 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)c3cccs3)CC2)cc1 9508570 VYNZFFXKNIDLJI-UHFFFAOYSA-N 464.569 1.131 50 40 JDGB COC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc(OCC(N)=O)c2)sc2c1CCCC2 9159336 PMFGASJXTVEXKO-AUEPDCJTSA-N 458.496 1.366 50 40 JDGB CCOc1ccc(C(=O)NNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)cc1OC 22698286 SCCGUVWYADXKFS-MRXNPFEDSA-N 465.503 1.847 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 409164377 HSFLBWURDITLPZ-RPPGKUMJSA-N 466.416 1.936 50 40 JDGB C[C@@H]1CCCCN1Cc1c(C(=O)N/N=C\c2cc3c(cc2[N+](=O)[O-])OCO3)nnn1-c1nonc1N 39948791 FABADPANNBPKOC-RAUJGMTKSA-N 498.460 1.008 50 40 JDGB CC(C)OC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1 139049324 LHSZGWOBSSPYBX-SFHVURJKSA-N 467.478 1.609 50 40 JDGB COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)NNC(=O)c1nccnc1N 10470959 MXVXYTVBBZHKHV-UHFFFAOYSA-N 470.873 1.813 50 40 JDGB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)ccc2Cl)C[C@@H](C)O1 12778828 SNDNBDIGPDPRMA-LZWOXQAQSA-N 494.035 1.244 50 40 JDGB COc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCC(N)=O 408865538 BCRIBFFKVBRVDT-FQIOEHTJSA-N 494.957 1.516 50 40 JDGB COc1ccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC 30743271 XNWYXQHWENTVKW-HAHDFKILSA-N 460.556 1.469 50 40 JDGB COc1ccc(OC)c(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(OC)ccc2OC)c1 35077950 IKJFYFYLLRLGCM-MTJSOVHGSA-N 451.501 1.492 50 40 JDGB COc1ccc(Cc2nnc(SCC(=O)NNC(=O)COc3ccccc3)o2)cc1OC 408639730 YKCWGEJMIICSSZ-UHFFFAOYSA-N 458.496 1.996 50 40 JDGB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)NNC(=O)c1ccc(Br)cc1 408644623 HFFSQLIWBCVZNY-CQSZACIVSA-N 460.284 1.806 50 40 JDGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408660943 NWSIWVDADLUXSJ-WIOUJZMWSA-N 473.913 1.476 50 40 JDGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)N3CCCC3)NC(=O)[C@@H]2C(=O)OC)cc1 409309807 MQIKYDRNLFQOID-ZWKOTPCHSA-N 457.508 1.567 50 40 JDGB COc1cccc(-n2c(C)nnc2SCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 9376251 OFYMZZMFEYWHLT-SFHVURJKSA-N 455.496 1.664 50 40 JDGB COc1cccc(-c2c(C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)nnn2-c2nonc2N)c1 9499279 HVALJIYJBOZDQD-BHGWPJFGSA-N 494.468 1.698 50 40 JDGB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)cc2C1=O 9700671 NYCWRMZZQHYRPG-UHFFFAOYSA-N 473.869 1.591 50 40 JDGB N#CCC(=O)Nc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2Br)cc1 9960505 CVSCRWCQUKYLFU-UHFFFAOYSA-N 459.256 1.919 50 40 JDGB CCn1nc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@H](C)[C@@H]3C)C2)c2ccccc2c1=O 34857505 OYSMRYFNZHRCFT-YIOZNXECSA-N 453.543 1.851 50 40 JDGB COc1cc(/C(C)=N/NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1O 36113037 WVTGQVWYFSCIQK-HAVVHWLPSA-N 460.556 1.556 50 40 JDGB CC(C)c1c(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)nnn1-c1nonc1N 2394236 VDBHMXSKLJBNAF-UHFFFAOYSA-N 460.252 1.205 50 40 JDGB CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1OC 409228572 ZIRUVTKSRDSPGF-WMZJFQQLSA-N 473.223 1.344 50 40 JDGB N#CC1=C(S)N([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C(c2ccccc2)=C[C@@H]1c1cccs1 5536909 SSZDHVOMNOQWBF-REBKPJRLSA-N 458.561 1.653 50 40 JDGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1)S(C)(=O)=O 20210474 VCZOIIMAAYWERV-UDWIEESQSA-N 450.473 1.918 50 40 JDGB O=C(O)[C@@H](CSSC[C@@H](C(=O)O)[C@@H]1C(=O)CSC1=S)N1C(=O)CSC1=S 28294985 PZGFMVDBEHRHRC-HCVRKRLWSA-N 471.650 1.642 50 40 JDGB COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1 408652158 FNEIIJVGZNJKGB-OAHLLOKOSA-N 473.869 1.484 50 40 JDGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc2OC)c1 409164538 JZHYORWPCPBKTN-DHRITJCHSA-N 456.499 1.944 50 40 JDGB Cc1ccc(S(=O)(=O)OC[C@H]2OCO[C@@H]3[C@H](CI)OCO[C@@H]32)cc1 5732498 GNAYGCDTBNSBNU-GBJTYRQASA-N 470.281 1.618 50 40 JDGB O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 9396723 QWDHFCWFTXWLDX-FQEVSTJZSA-N 455.474 1.725 50 40 JDGB CC[C@@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 9562582 MPBKTMFQTCSYSL-UZLBHIALSA-N 489.598 1.660 50 40 JDGB CCCCOc1ccc(C(=O)NNC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)cc1OC 12695715 RBRZNHDXORRAOH-UHFFFAOYSA-N 475.498 1.830 50 40 JDGB CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1 409163878 YZOCMRRJBGZEMR-LSFURLLWSA-N 451.252 1.802 50 40 JDGB N#CCC(=O)N/N=C/c1cc(I)c(O)c(I)c1 8435335 VPZGFHBNLBKJOY-LHHJGKSTSA-N 454.993 1.965 50 40 JDGB O=C1N=c2ccccc2=C1NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 100565070 AFPQKCVQSKKKEM-UHFFFAOYSA-N 454.895 1.343 50 40 JDGB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)NNC(=O)c1ccc(Br)cc1 408658331 QXZUHVYQFTWCFE-ZDUSSCGKSA-N 478.274 1.946 50 40 JDGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c1[N+](=O)[O-] 3146132 ZKRNSTXXHHWZPL-GZIVZEMBSA-N 458.383 1.138 50 40 JDGB CSCC[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 12802598 RXJYWPDSQMDNHT-HNNXBMFYSA-N 463.585 1.292 50 40 JDGB Nc1nnnn1CC(=O)N/N=C/c1cc([N+](=O)[O-])c(N2CCCCC2)cc1N1CCCCC1 59419052 AZJYPDBAGOZEDL-LPYMAVHISA-N 456.511 1.294 50 40 JDGB Nc1nonc1N1N=N[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc([N+](=O)[O-])c1 95481746 HNECDJKNFJTEGW-LSDHHAIUSA-N 481.385 1.047 50 40 JDGB COCCNC(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)[C@H](C(=O)OC)C(=O)N1 409309758 MBTUZEIXPDACPJ-HOTGVXAUSA-N 482.356 1.683 50 40 JDGB CCOc1ccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC 30742885 XBTPIUYPBZCXNW-JLPGSUDCSA-N 474.583 1.859 50 40 JDGB O=C(CNC(=O)c1cccnc1)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 101022573 SGQYBJHPMQMWHY-UHFFFAOYSA-N 481.104 1.809 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)cc1 9882935 MHHKSYCKZHOJQA-FQEVSTJZSA-N 498.561 1.397 50 40 JDGB CCOc1cccc(-c2c(C(=O)N/N=C3\C(=O)Nc4ccccc43)nnn2-c2nonc2N)c1 13811525 XBBFTYGXWNMHAP-UHFFFAOYSA-N 459.426 1.384 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)c1ccccc1 28213026 RDRUFCYDGISLLZ-AFUMVMLFSA-N 484.534 1.891 50 40 JDGB CC(C)N1C(=O)/C(=N\NC(=O)CC(=O)N/N=C2/C(=O)N(C(C)C)c3ccccc32)c2ccccc21 100085902 XYENJDNHGNETTA-XWFWGDPBSA-N 474.521 1.928 50 40 JDGB CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1 408663609 AOXALDWBZPCSMK-QGZVFWFLSA-N 453.451 1.221 50 40 JDGB CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)C[C@H]1C=CCC1)c(=O)n2Cc1ccccc1 10161575 UWUKKVBCPVRRIL-SFHVURJKSA-N 478.553 1.568 50 40 JDGB NS(=O)(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 100567674 RKRMYXYNEHATGY-RHIYVLOFSA-N 478.162 1.616 50 40 JDGB O=C(NNC(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1 9973318 WDPIHOYEGTXGQT-WOJBJXKFSA-N 476.441 1.983 50 40 JDGB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NNC(=O)COc2ccccc2F)c1 12536455 GAOZSDAVFUQQPD-UHFFFAOYSA-N 464.519 1.516 50 40 JDGB COc1ccc(C(=O)NNC(=O)CN2CCCc3ccccc32)cc1S(=O)(=O)NC1CC1 12735171 WSLFANPOXJSJQU-UHFFFAOYSA-N 458.540 1.350 50 40 JDGB Cc1cccn2c(=O)c(/C=C(\C#N)C(N)=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 20502973 UFNOGMROBMXWCI-LDADJPATSA-N 472.505 1.446 50 40 JDGB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408687857 VGTLWENGOWFWLD-SPGVSREJSA-N 451.273 1.698 50 40 JDGB CCOc1ccc(-c2c(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)nnn2-c2nonc2N)cc1 1885358 DXPNYKCRBTWBMK-SSDVNMTOSA-N 463.414 1.970 50 40 JDGB Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1S(=O)(=O)N1CCOCC1 12950711 UPLFSOZJUPQGIX-OAHLLOKOSA-N 465.503 1.384 50 40 JDGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(C)(=O)=O)c(OC)c1 16215502 OKYUPVMQTNWWSI-RGVLZGJSSA-N 466.472 1.537 50 40 JDGB COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)cc1OC 19859318 GDXCMWFLLSJGRN-JOCHJYFZSA-N 482.537 1.733 50 40 JDGB COC(=O)C1=c2s/c(=C/c3ccccc3F)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1F 13739521 SFDWCWXTTXPWTE-LTXFRBGYSA-N 451.454 1.789 50 40 JDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1 20209527 XDOHXSZCFBJASI-SRZZPIQSSA-N 453.904 1.808 50 40 JDGB N#C/C(=C\c1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 2206996 SWEGBEXZQDSAIZ-NBVRZTHBSA-N 463.519 1.735 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccncc2)c1CN1CCC(Cc2ccccc2)CC1 13788434 IDICOJJNBFUDRO-JFLMPSFJSA-N 486.540 1.846 50 40 JDGB Cn1cccc1/C=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 19850537 GZOYGNBGYQAFPG-MOSHPQCFSA-N 468.377 1.244 50 40 JDGB Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H](CCC(N)=O)NC(=O)c2ccc(Cl)cc2)c1 40159780 QCBVRHZGIXSXIJ-KRWDZBQOSA-N 460.918 1.547 50 40 JDGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)NCC(C)C)NC(=O)[C@@H]2C(=O)OC)cc1 409325852 BWOJIGQFGWGAFL-ZWKOTPCHSA-N 459.524 1.716 50 40 JDGB COc1cc(N2C(=O)/C(=C/NNC(=O)c3ccncc3)C(O)=NC2=S)cc(OC)c1OC 13798907 PCVJIXRJDMVCGJ-JLHYYAGUSA-N 457.468 1.514 50 40 JDGB CCn1nc(C(=O)NNC(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)c2ccccc2c1=O 12817326 UKAXJCKDRXIZBU-SFHVURJKSA-N 471.539 1.181 50 40 JDGB O=C(CNC(=O)c1ccco1)NCC(=O)NNC(=O)COc1ccccc1-c1ccccc1 17202287 VELANRQJOJGGNP-UHFFFAOYSA-N 450.451 1.019 50 40 JDGB CCOC(=O)c1cnc(SCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)nc1N 9961543 STZAHQJOGACABU-UHFFFAOYSA-N 454.468 1.713 50 40 JDGB O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2)c1cc2c(s1)CCC2 10891391 QSBOQOCHKFGFLO-OAHLLOKOSA-N 477.564 1.622 50 40 JDGB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)NNC(=O)[C@@H]1COc2ccccc2O1 12521849 HSGBZHLFZZABKV-IBGZPJMESA-N 464.444 1.815 50 40 JDGB Cc1cc(NC(=O)CN2C(=O)[C@@H]3[C@@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)no1 17527479 VSVRKMIEBXLUGO-NIIXFXRXSA-N 461.110 1.699 50 40 JDGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)cc2OC)cc1 409258563 XLCAZDARNVCMNU-SODVTCOWSA-N 498.536 1.857 50 40 JDGB COc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1429786 WHRGUWRTKKYYPF-DEOSSOPVSA-N 461.478 1.007 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNC(=O)c2ccc3ccccc3c2)cc1 9882938 KKSSTCVGYZTOGH-UHFFFAOYSA-N 468.535 1.346 50 40 JDGB C[C@@H]1CCCCN1Cc1c(C(=O)N/N=C\c2ccc3c(c2)OCO3)nnn1-c1nonc1N 33893558 LIUADCNHIFZXMW-PIDKYCEWSA-N 453.463 1.100 50 40 JDGB CCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)cc1 84774022 CWYPDAZEDPMGAX-FQEVSTJZSA-N 458.515 1.885 50 40 JDGB C[C@@H](NC(N)=O)C(=O)NNc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 9612878 OQCFQRPJXFIBLA-SECBINFHSA-N 456.868 1.549 50 40 JDGB COc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC 16321239 MIGBVGPSDWUPTO-WSDLNYQXSA-N 478.527 1.442 50 40 JDGB O=C(NN=C1CCCC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 19953449 CJIYIVBESQXOAO-NRFANRHFSA-N 490.607 1.797 50 40 JDGB COc1ccc(CNC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)cc1 408875162 DMWZZKGZQLGNNP-MBTHVWNTSA-N 491.504 1.618 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCC(=O)Nc1ccccc1C 409157984 QVLISODQMPWLHI-AFUMVMLFSA-N 456.499 1.624 50 40 JDGB N#C/C(=C/c1cc(I)c(O)c(I)c1)C(=O)NC(N)=O 409238009 JWDVGIDFFWHISV-BHQIHCQQSA-N 483.003 1.703 50 40 JDGB COC(=O)C1=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@H](c2cccc(OC)c2)C(C#N)=C1N 4434373 UBYOGLLSXWHRJE-ZVYKEMNCSA-N 475.526 1.419 50 40 JDGB Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1C 102377591 XIEOZZDYSUNARK-KKSFZXQISA-N 496.545 1.812 50 40 JDGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)NNC(=O)c1ccccc1Cl 408682852 KATSQMIBPOLAGW-GFIYSBKGSA-N 471.691 1.215 50 40 JDGB COc1cccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(C)(=O)=O)c1 409183702 FQHXZHXEYYJCNZ-HYARGMPZSA-N 491.526 1.356 50 40 JDGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)cc2)c1 409252219 CSNCXXHWPSFERS-ORBAKXMTSA-N 454.483 1.458 50 40 JDGB COC[C@@H](C)NC(=S)NNC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1 13147730 HIDUSRBGOAHOQN-LLVKDONJSA-N 460.965 1.555 50 40 JDGB CC(=O)Nc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc1 408688822 XSGFXDATKACVMX-PSWKNJSVSA-N 482.320 1.592 50 40 JDGB COC(=O)c1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc([N+](=O)[O-])c1 9597052 KCWODLRSZNFWKH-UHFFFAOYSA-N 476.467 1.241 50 40 JDGB C/C(=N\NC(=O)c1c(CN2CCOCC2)nnn1-c1nonc1N)c1ccc(Cl)c(Cl)c1 25782764 YNHFYHPWDNOIPC-LSHDLFTRSA-N 480.316 1.526 50 40 JDGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408660944 NWSIWVDADLUXSJ-XRJOUIEWSA-N 473.913 1.476 50 40 JDGB CN1CCC(=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 409134292 NSFCMGMSTZBNPI-UHFFFAOYSA-N 476.530 1.990 50 40 JDGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCOCC2)=C(C#N)[C@@H]1c1cccc(Br)c1 409314957 ICYIGGFVDGKMPI-DLBZAZTESA-N 494.367 1.779 50 40 JDGB CC(C)C(=O)Nc1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)c2n1 1988187924 MCKWRFWFUTWNLD-XWXWGSFUSA-N 467.599 1.767 50 40 JDGB COc1cc(Br)c(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc1OC 2366266 AZRIIZKWPDAILD-IFRROFPPSA-N 479.295 1.900 50 40 JDGB COc1ccc(C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1S(=O)(=O)N1CCOCC1 3364813 QAAFVJIRAWDSJQ-AWEZNQCLSA-N 493.607 1.977 50 40 JDGB CC(=O)OC[C@H]1O[C@@H](n2nnc(CCl)c2CCl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5439760 AOOJZUQUEKZUJM-RSJGLCBASA-N 496.300 1.011 50 40 JDGB CC(C)c1ccc2c(c1)/C(=N\NC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C(=O)N2 3284842 RKZLEBWMLKVYEK-UHFFFAOYSA-N 456.524 1.917 50 40 JDGB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 9913444 HMNJNDJEUYYIQO-UHFFFAOYSA-N 498.565 1.298 50 40 JDGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1cnccn1 13134427 IZZDOSOFZXNTJC-UHFFFAOYSA-N 459.915 1.782 50 40 JDGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(O)cc2O)c(OC)c1 408952501 KNNFSIXWULDTOC-CVROGOTKSA-N 498.492 1.827 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2C(=O)O)c1CSc1ccccc1 1869196 FHCRGTKUHCNBAV-LSHDLFTRSA-N 464.467 1.987 50 40 JDGB COc1ccc(NS(=O)(=O)c2cc(C(=O)NNC(=O)c3ccncc3)ccc2OC)c(OC)c1 2621822 GIJSKGJQRSJJKJ-UHFFFAOYSA-N 486.506 1.983 50 40 JDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 20209851 QOMUIRSFUZUDTB-SRZZPIQSSA-N 498.355 1.917 50 40 JDGB Cc1ccc(C(=O)NNC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)c(C)c1 21192997 SCRMZGBRXOJGBU-FQEVSTJZSA-N 461.540 1.839 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(C)cc1 409162935 JRPQYUQXIAMJHY-WYMPLXKRSA-N 491.342 1.988 50 40 JDGB COc1cc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc(Br)c1O 8824900 CMANZCUMCMGWJQ-CIAFOILYSA-N 498.355 1.948 50 40 JDGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)c1 13021180 BFXNXDRMSYPRDA-OAHLLOKOSA-N 464.569 1.312 50 40 JDGB COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)c1 408660345 NUONDOYHIFPHQD-CYBMUJFWSA-N 475.885 1.715 50 40 JDGB Cc1nnc(N2C(=O)c3ccc(C(=O)OCC(=O)NNC(=O)c4ccccc4)cc3C2=O)s1 408690439 VJKWUHSGQRJBFJ-UHFFFAOYSA-N 465.447 1.265 50 40 JDGB NC(=O)COc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 633413 TZPRSIIPVDQEPD-KCDOPAPYSA-N 464.931 1.508 50 40 JDGB COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12552963 WGZLJFNSVCJDJY-UHFFFAOYSA-N 492.872 1.711 50 40 JDGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c1 58881937 TZBOBGRRBXOYCN-JMJNUIHMSA-N 484.509 1.467 50 40 JDGB COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)cc(I)c1OCC(=O)O 408904953 QYJMZSVWPWSZRR-SDQBBNPISA-N 472.235 1.529 50 40 JDGB Nc1nonc1-n1nnc(C(=O)NN=C2c3ccccc3-c3ccccc32)c1CN1CCOCC1 19830757 MWCJBYBLEXLJAF-UHFFFAOYSA-N 471.481 1.228 50 40 JDGB CN(Cc1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)nnn1-c1nonc1N)C1CCCCC1 1813234 GCOBBDKMHJSOKC-SSDVNMTOSA-N 468.478 1.669 50 40 JDGB Cc1csc(=O)n1CC(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 15583823 JJNJJVOMCHUNKX-UHFFFAOYSA-N 452.539 1.542 50 40 JDGB O=C(COc1nsnc1N1CCOCC1)N/N=C\c1sc(=O)n(-c2ccccc2)c1Cl 35549272 DTHAALPFHOLZOQ-JMIUGGIZSA-N 480.959 1.770 50 40 JDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NCc3ccco3)o2)cc1 408880271 HANKUGTWUAFWLD-MXAYSNPKSA-N 451.439 1.202 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c(OC)c1 408924475 OOWXNVSHZPUOMU-ZGRCRBMVSA-N 497.464 1.933 50 40 JDGB CNC(=S)NNC(=O)CSc1c([N+](=O)[O-])nc(C)n1Cc1ccc(OC)c([N+](=O)[O-])c1 13282774 GFJOIUOZIVQAPK-UHFFFAOYSA-N 469.505 1.282 50 40 JDGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)ccc2O)cc1OC 32109802 HWRLHTYUTFYPNI-SSDVNMTOSA-N 450.289 1.981 50 40 JDGB Cc1cc(NC(=O)CN2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)no1 101052512 VSVRKMIEBXLUGO-WJERQEJZSA-N 461.110 1.699 50 40 JDGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1 408681360 HXOGZFDBFQJEJA-KUIBADSUSA-N 469.244 1.656 50 40 JDGB CNC(=O)C1=C2S[C@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@H]1c1ccc(C(F)(F)F)cc1 3764193 ICQGUOLSOICMCQ-TZMCWYRMSA-N 466.441 1.961 50 40 JDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 20209409 ORWTZQKRKIFSMV-SRZZPIQSSA-N 453.904 1.808 50 40 JDGB Nc1nonc1N1N=N[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc([N+](=O)[O-])c1 95481744 HNECDJKNFJTEGW-HUUCEWRRSA-N 481.385 1.047 50 40 JDGB O=C(Cc1ccccc1)N[C@H](CSSC[C@H](NC(=O)Cc1ccccc1)C(=O)O)C(=O)O 4403925 DWRCRIMPBCLETK-HDICACEKSA-N 476.576 1.992 50 40 JDGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)CNC(=O)c3ccc4c(c3)OCO4)cc2)cc1 12594675 LAWARWSNCUTAFE-UHFFFAOYSA-N 472.457 1.910 50 40 JDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1 20213618 XKHWJBUVEVMEMU-AFUMVMLFSA-N 482.518 1.979 50 40 JDGB COCCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 35103782 HLJIOFYKFTYCSN-XNTDXEJSSA-N 453.289 1.783 50 40 JDGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c1 58881544 BVSPNHFCDFUWAD-HMHIXTCJSA-N 454.483 1.458 50 40 JDGB COC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 59503029 MMPQYULTRJTJNH-NSMHLIOHSA-N 463.512 1.552 50 40 JDGB Nc1nonc1C(=O)N/N=C/c1cc(Br)cc(I)c1O 408719831 GFHXCXLTGWCJPT-LZWSPWQCSA-N 452.006 1.488 50 40 JDGB O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1 3424500 VKLUZZDKMKMTBB-UHFFFAOYSA-N 468.875 1.344 50 40 JDGB COc1ccc(NS(=O)(=O)c2cc(C(=O)NNC(=O)c3ccccn3)ccc2OC)c(OC)c1 9120738 TZISBHLSCLAZHU-UHFFFAOYSA-N 486.506 1.983 50 40 JDGB CCN(CC)c1ccc(C(=O)NNC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)cc1 9130981 MDOXYRQAEMBSHS-UHFFFAOYSA-N 484.553 1.854 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2)c1 9232883 YHPYHCQJRJJWJU-FSJBWODESA-N 477.315 1.679 50 40 JDGB CCOc1ccc(C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2)cc1OC 12693917 UNTFKEXUBFTBSO-KRWDZBQOSA-N 477.539 1.088 50 40 JDGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1 12973663 KWUFHXOLSCIJOK-UHFFFAOYSA-N 471.539 1.756 50 40 JDGB CN(C)Cc1c(C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)nnn1-c1nonc1N 2427865 RVWBTXUEYTVJEH-OPEKNORGSA-N 479.476 1.776 50 40 JDGB COc1ccc(C(=O)NNC(=O)[C@H]2CCCN([C@@H]3CC(=O)N(c4ccccc4)C3=O)C2)cc1 13142269 IVXYLLSXHVYTAL-FXAWDEMLSA-N 450.495 1.500 50 40 JDGB CC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc1 408659442 JSKLQVBJZSCBAA-YWALVYIISA-N 467.305 1.837 50 40 JDGB NC(=O)COc1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1 408986723 DEASOCPMVVOTRY-VYORJIDISA-N 464.482 1.262 50 40 JDGB Cc1cc(C)c(C)c(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 2642923 VHTLESSHSSXJMK-UHFFFAOYSA-N 481.596 1.564 50 40 JDGB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 9562583 MPBKTMFQTCSYSL-OXQOHEQNSA-N 489.598 1.660 50 40 JDGB C/C(=N\NC(=O)Cc1nc2ccccc2n1C)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 9715885 UAZCSIHPHYSTND-ZVHZXABRSA-N 457.512 1.409 50 40 JDGB C[C@H]1Cc2cc(C(=O)NNC(=O)c3cncn3-c3ccc(F)cc3)ccc2N1S(C)(=O)=O 14938959 IPNPRRJGJYQQSU-ZDUSSCGKSA-N 457.487 1.797 50 40 JDGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)N/N=C/c1ccc(O)cc1O 59498759 UZIDUJAEGAADQG-UFWORHAWSA-N 487.410 1.711 50 40 JDGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(Br)cc2)cc1OC 409144689 ZZVDKNIRCJOKJO-VXLYETTFSA-N 456.318 1.895 50 40 JDGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)cc2OC)c1 409262456 DXYGDGLZQKQLHI-JMJNUIHMSA-N 484.509 1.467 50 40 JDGB COCCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)[C@H](C(=O)OC)C(=O)N1 409324467 SYAJDJWZAGVYAK-ROUUACIJSA-N 475.523 1.097 50 40 JDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)ccc1O 1869237 YHBPDVKZCDKCHD-FOKLQQMPSA-N 469.506 1.475 50 40 JDGB O=C(NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)c1ccncc1 9120372 VJBKPGSNGQPLID-UHFFFAOYSA-N 473.555 1.168 50 40 JDGB CCCCOc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 9493095 IZGRMEXUMXGESR-UHFFFAOYSA-N 461.540 1.961 50 40 JDGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408660942 NWSIWVDADLUXSJ-RJYYBVGHSA-N 473.913 1.476 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(C)c2C)c(OC)c1 408925014 ROWONKCOEXOBLU-JRASGKOJSA-N 483.525 1.981 50 40 JDGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCOCC2)=C(C#N)[C@H]1c1cccc(Br)c1 409314965 ICYIGGFVDGKMPI-SJORKVTESA-N 494.367 1.779 50 40 JDGB CCOc1cc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc(Br)c1O 2541941 GEIWFAPBRPLMDC-NGYBGAFCSA-N 451.241 1.172 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNC(=O)Cc2cccc3ccccc23)cc1 9989027 VYCSFWQVAHSVLI-UHFFFAOYSA-N 482.562 1.275 50 40 JDGB CCC(=O)NNC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O 10162811 BXXDCMCKOSOUHK-UHFFFAOYSA-N 460.494 1.014 50 40 JDGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)ccc1O 12411453 OUVIHSXQATZAPJ-SSDVNMTOSA-N 455.479 1.087 50 40 JDGB O=C(N/N=C/c1ccc2ccccc2n1)[C@@H](O)[C@@H](O)C(=O)N/N=C/c1ccc2ccccc2n1 59497644 CXBFGFJKXOHMCE-LZSDCITKSA-N 456.462 1.105 50 40 JDGB COc1cc(C(=O)NNC(=S)NC(=O)c2cc3ccccc3oc2=O)cc(OC)c1OC 3669393 ORMHFRCDVAOGGO-UHFFFAOYSA-N 457.464 1.768 50 40 JDGB C=CCn1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nnc1[C@H]1CCS(=O)(=O)C1 25206412 XZAYTWVHSIEVAI-ZDUSSCGKSA-N 453.521 1.059 50 40 JDGB C[C@@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 102081585 RGFIBPKBUNYJOT-ALOZIACYSA-N 478.181 1.448 50 40 JDGB C/C(=N/NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCO2 34848991 NNICYNITNBAWCQ-KQWNVCNZSA-N 459.524 1.909 50 40 JDGB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)CC1=O 138698370 VGTXICKRLCSVDR-LBPRGKRZSA-N 490.856 1.614 50 40 JDGB CCOc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)ccc1OCC(=O)N(C)C 9284563 LGZIBMSIZQBHAS-YDZHTSKRSA-N 451.487 1.356 50 40 JDGB Cc1ccc(CN2C[C@@H](C(=O)NNC(=O)[C@@H]3CC(=O)N(Cc4ccc(C)cc4)C3)CC2=O)cc1 14139531 CIOAMLFGGZEVEA-SZPZYZBQSA-N 462.550 1.848 50 40 JDGB Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 40050251 KLLVMDWJTQXTDH-KRWDZBQOSA-N 476.580 1.937 50 40 JDGB COc1ccc(C(=O)N[C@@H](CCSC)C(=O)NNC(=O)Cn2cnc3ccccc32)cc1 12564325 SERVNENKJWPYJV-SFHVURJKSA-N 455.540 1.744 50 40 JDGB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1=O 12536696 KHPHHDBBRJWHFM-SANMLTNESA-N 492.580 1.203 50 40 JDGB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)NNC(=O)c2ccccc2F)c1 9635588 MUHKHTAOHRRJLJ-UHFFFAOYSA-N 492.529 1.294 50 40 JDGB COc1ccccc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)S(C)(=O)=O 20060903 AVPZDARYCNSXPT-HYARGMPZSA-N 491.526 1.356 50 40 JDGB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)NNC(=O)c1ccc(Br)cc1 22938722 BMVZWGLWAAQDHP-UHFFFAOYSA-N 475.343 1.757 50 40 JDGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc1 58873977 MIVJBUQLBIAHHM-JFLMPSFJSA-N 461.478 1.874 50 40 JDGB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)NNC(=O)c1ccc(Br)cc1 408658330 QXZUHVYQFTWCFE-CYBMUJFWSA-N 478.274 1.946 50 40 JDGB COc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c(OC)c1 408685044 OKTLHJRTMUTTNF-HTQXZECBSA-N 454.273 1.757 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cccnc2)c(OC)c1 408921554 ARXDVFPYUNNFOY-JVMMHGLMSA-N 453.455 1.420 50 40 JDGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408926032 NAXMUWOVVBSWFJ-DMGPTTAYSA-N 460.556 1.895 50 40 JDGB COC(=O)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccc(OC)c2)cc1 9498520 SNCVIFRUVKBHSV-FOKLQQMPSA-N 462.426 1.459 50 40 JDGB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3n[nH]c(=O)c4ccccc34)c2)C1 9545874 MNSFXYPTBCAQHX-GJZGRUSLSA-N 483.550 1.665 50 40 JDGB NNC(=O)N/N=C1/C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C(=O)[C@H]1c1nc2ccccc2o1 102945652 ONBAUDJTSFOGPV-VPWNXDJNSA-N 475.248 1.890 50 40 JDGB COc1cc(N2C(=O)/C(=C\NNC(=O)c3ccccc3)C(=O)NC2=S)cc(OC)c1OC 4473868 HKBDRGUCKDAUGK-KAMYIIQDSA-N 456.480 1.279 50 40 JDGB N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)OC2)[C@]12C(=O)N(CC(N)=O)c1ccccc12 20745831 MWAUBDNSNQXXTA-HSZRJFAPSA-N 461.865 1.435 50 40 JDGB COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)c(OC)c1 408686109 SAWOQMRWIHZWFD-MUEHPZDASA-N 485.320 1.651 50 40 JDGB COc1ccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N1CCCC[C@@H]1C 9441746 DKUSXLXYMZGBHW-AWEZNQCLSA-N 499.549 1.570 50 40 JDGB CN1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CCCc3cccs3)cc2)CC1 14252752 SHDCPVPWSNHOIG-UHFFFAOYSA-N 450.586 1.468 50 40 JDGB C[C@H]1CCCCN1Cc1c(C(=O)N/N=C\c2ccc3c(c2)OCO3)nnn1-c1nonc1N 33893560 LIUADCNHIFZXMW-AWOXZHSLSA-N 453.463 1.100 50 40 JDGB COc1cccc(-n2c(C)nnc2SCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 9379083 WWOGCFUGFWEMEY-UHFFFAOYSA-N 489.583 1.431 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1F 20211764 ZTCLVPCHDLFDLF-LPYMAVHISA-N 479.490 1.487 50 40 JDGB CS(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccc(Br)cc21)c1cccc(F)c1 409143410 BZDSIAGLIQNVHY-UHFFFAOYSA-N 469.292 1.827 50 40 JDGB N#CC1=C(S)N([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C(c2ccccc2)=C[C@H]1c1ccccc1 5536926 LVMVPMRIRRYZFF-AIRVRBJRSA-N 452.532 1.592 50 40 JDGB Cc1nn(Cc2cccc(C(=O)NNC(=S)NCCCN3CCOCC3)c2)c(C)c1[N+](=O)[O-] 20528496 JYXQIVFRLRVVKB-UHFFFAOYSA-N 475.575 1.288 50 40 JDGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 39948776 HQDAEXXCJIWCOM-JEHRSMSHSA-N 468.478 1.669 50 40 JDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 104426287 LANCGODCGYZJLX-DCMULQSBSA-N 455.920 1.620 50 40 JDGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)NNC(=O)c1ccc(Cl)cc1 408685138 OUKOWMZBDAJMNA-DKJTXKKOSA-N 471.691 1.215 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1-c1ccc2c(c1)OCO2 1873554 CEZJACXQIZGVQB-ODCIPOBUSA-N 463.370 1.300 50 40 JDGB COc1cccc(/C=N/NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1OC 9368760 OVZLWNDXQUMBSQ-ZVHZXABRSA-N 474.539 1.368 50 40 JDGB COc1cc(C(=O)NNC(=O)c2ccccc2Br)ccc1OCC(=O)N1CCOCC1 12971873 ZLYPOFWJLDBBGN-UHFFFAOYSA-N 492.326 1.770 50 40 JDGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(C)(=O)=O)c1 20208572 AZDJCPMOCGAFMM-OEAKJJBVSA-N 489.554 1.965 50 40 JDGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](CO)C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100770205 FUBBKKUQLPZKIW-JHQYGYBLSA-N 471.503 1.080 50 40 JDGB biogenic COc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)c2)c1 409254442 DQNIARUJIXFUGF-ORBAKXMTSA-N 454.483 1.458 50 40 JDGB N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 9003833 CHHYBXRHVBQENI-STTHAQSSSA-N 450.476 1.697 50 40 JDGB CCc1ccc(OCC(=O)NNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 13009751 SNVXREOJAPJEDO-UHFFFAOYSA-N 467.569 1.100 50 40 JDGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(C)(=O)=O)cc1 20210666 PZMKWCLJJWWYRM-UDWIEESQSA-N 450.473 1.918 50 40 JDGB Cc1ccc(S(=O)(=O)NNC(=O)Cn2c3c(c(=O)n(C4CCCCC4)c2=O)CCC3)cc1 32603930 FQCCBAMSIUJGEV-UHFFFAOYSA-N 460.556 1.322 50 40 JDGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)NNC(=O)c1ccc(Cl)cc1 408685139 OUKOWMZBDAJMNA-NCPBCQDQSA-N 471.691 1.215 50 40 JDGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCC#N 408997413 OJYMRKKTOCDXSM-JAIQZWGSSA-N 472.283 1.375 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc(Br)c1OCC 409154097 JSIHBDSNBQBCEY-OEAKJJBVSA-N 485.379 1.535 50 40 JDGB CCn1c(C)nc2cc(C(=O)NNC(=O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)ccc21 3398561 OAZFQARGCOUSFU-UHFFFAOYSA-N 464.438 1.720 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2C(=O)O)c1COc1ccc(F)cc1 9087445 HJTVXZILCQJMME-NUGSKGIGSA-N 466.389 1.413 50 40 JDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cc(Br)ccc2O)cc1OC 16186795 IOUTZVLWUPQOCY-KEBDBYFISA-N 486.344 1.943 50 40 JDGB CN(CC(=O)NNC(=O)c1cc(Br)c[nH]1)S(=O)(=O)c1ccc2c(c1)OCCCO2 32905419 KGPZEDCECLYWKK-UHFFFAOYSA-N 487.332 1.020 50 40 JDGB COc1cccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1OCC(=O)Nc1ccccc1C 408606671 ABYYLFSCXDJNAX-NPSPNJCMSA-N 468.510 1.766 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)c(C)c1 409163695 WMPFKNKVYCDMBD-WYMPLXKRSA-N 491.342 1.988 50 40 JDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 409164738 NCEJGQZINZANNB-AFUMVMLFSA-N 472.498 1.324 50 40 JDGB O=C(CCNC(=O)c1ccccc1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 17520999 QQDHQQXUKFOTPW-UHFFFAOYSA-N 480.546 1.746 50 40 JDGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1OC 409149360 CVDKZAMRQIOWKJ-SRZZPIQSSA-N 467.500 1.158 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3nn(C)cc3Br)CC2)cc1 1065995 YLJBOWRLBYXJKW-UHFFFAOYSA-N 484.376 1.353 50 40 JDGB COc1cccc(-c2c(C(=O)N/N=C/c3ccc(OC)c(OC)c3OC)nnn2-c2nonc2N)c1 9478310 ZUMAMVDCFKBVPF-BHGWPJFGSA-N 494.468 1.698 50 40 JDGB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 15795431 UDEFOHZVGLVLFM-NRFANRHFSA-N 473.551 1.781 50 40 JDGB COc1ccccc1N1C(=O)C[C@@H](N(NC(=O)c2cc(OC)c(OC)c(OC)c2)C(C)=O)C1=O 100125955 GTIKPSYQAKTLNK-MRXNPFEDSA-N 471.466 1.546 50 40 JDGB O=C(CCC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(Cl)cc1 139069532 HLIUZARUVAWAIK-UHFFFAOYSA-N 481.292 1.539 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)N1CCOCC1 409251201 OVHBWDPTJQZOHA-AFUMVMLFSA-N 472.473 1.551 50 40 JDGB Cc1ccccc1-n1nnnc1SCC(=O)NNC(=O)[C@@H](NC(=O)c1ccco1)C(C)C 9128042 RAIZHGANYXNVQE-KRWDZBQOSA-N 457.516 1.258 50 40 JDGB C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 12881167 DWOXVASIIOCMKN-INIZCTEOSA-N 456.524 1.961 50 40 JDGB CC(=O)c1cccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)c1 408658161 IBWMZWJVKPQVRT-PSWKNJSVSA-N 467.305 1.837 50 40 JDGB Cc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O 408661948 WMFQKVJMJISGBM-HNNXBMFYSA-N 472.885 1.146 50 40 JDGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)NCc1ccccc1 409247760 BAHZMNODXPGIRU-JVWAILMASA-N 454.527 1.763 50 40 JDGB Cc1cc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 9849600 LSPMKRWWOWWURZ-UHFFFAOYSA-N 457.462 1.932 50 40 JDGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)c(OC)c1OC 19859285 QSEBPNZVNVMVLX-FQEVSTJZSA-N 482.537 1.733 50 40 JDGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)NNC(=O)c1ccccc1Cl 408682851 KATSQMIBPOLAGW-BMTCLBQJSA-N 471.691 1.215 50 40 JDGB CCCCOc1ccc(C(=O)NNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1OC 15476326 BKTOUWIKFXQZCY-UHFFFAOYSA-N 474.539 1.764 50 40 JDGB O=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)NNC(=O)[C@@H]1COc2ccccc2O1 12855647 MGEZFFOZWHMDRL-HNNXBMFYSA-N 473.429 1.361 50 40 JDGB COc1ccc(/C=N/NC(=O)C[C@@H]2C(=O)NN=C3c4ccccc4N=CN32)c(C(=O)O)c1OC 14134917 BGOROOMIPFVKTE-BYXSLANXSA-N 464.438 1.078 50 40 JDGB O=C(COc1ccc(Br)cc1)NNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 15709528 HZIAHKDXJZNLAH-UHFFFAOYSA-N 461.232 1.778 50 40 JDGB CCOc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1O 16688770 INFVWBBTIMCLCB-CIAFOILYSA-N 451.501 1.579 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccc(O)cc2O)c1CN1CCCc2ccccc21 25783649 TVSIBSPXOOHDIB-MYKKPKGFSA-N 475.469 1.360 50 40 JDGB Cc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1[N+](=O)[O-] 408687665 USLJDFRVRPFCIJ-RJTBJPLASA-N 453.245 1.956 50 40 JDGB O=C(N/N=C1/C[C@@H](N2C(=O)c3ccccc3C2=O)[C@@H]2CO[C@H]1O2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 5225345 FJURCDYCERCTFV-VBAAXSJXSA-N 481.377 1.399 50 40 JDGB CCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1 9603580 YOEOMUYGYLICRX-UHFFFAOYSA-N 471.539 1.741 50 40 JDGB COC(=O)c1ccccc1-n1cccc1C(=O)NP(=O)(N1CCOCC1)N1CCOCC1 17595856 XYFLQVSBNHKFJC-UHFFFAOYSA-N 462.443 1.766 50 40 JDGB COc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccc(NC(=O)C(C)C)cc2)C1=O 408528593 BOOFKXBZJICDMT-SOAGAIGUSA-N 465.466 1.905 50 40 JDGB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408677395 BVNNACBLWIOFEA-WMLLRYHISA-N 452.257 1.526 50 40 JDGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(C)(=O)=O)c(OC)c1 408877944 YQOYUHUQTOIZCN-OEAKJJBVSA-N 462.528 1.969 50 40 JDGB CCOc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1OCC 9218189 WHEHFDQTAKRDLR-UHFFFAOYSA-N 477.539 1.580 50 40 JDGB O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=S)Nc1ccc(F)cc1 9440559 HEASCOZJZPPVKB-UHFFFAOYSA-N 468.532 1.673 50 40 JDGB CC/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C)c1ccccc1 13788266 SPLOXXHBMHVYHS-CIAFOILYSA-N 453.492 1.197 50 40 JDGB CCOc1cc(C(=O)NNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc(OCC)c1OCC 21874894 MFABQMMZFBLMOB-JOCHJYFZSA-N 462.503 1.364 50 40 JDGB Cc1cc(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c(C)n1C1CC1 23008606 OCXWWWZDOZDEKY-WOJGMQOQSA-N 484.582 1.317 50 40 JDGB CCOc1cc(/C=N\NC(=O)COc2ccccc2OC)ccc1OCC(=O)N1CCOCC1 409014281 WVUMLVKHHATRSN-MYYYXRDXSA-N 471.510 1.861 50 40 JDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)c(OC)c1 9307978 HQXHQCAHHUVFNC-NUGSKGIGSA-N 478.425 1.409 50 40 JDGB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)NNC(=O)c1ccc2c(c1)OCO2 9441753 AJQWOVNXFLHXJF-UHFFFAOYSA-N 467.265 1.029 50 40 JDGB Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccccc2n1 3416725 QEIYDVFGMSRSNZ-UHFFFAOYSA-N 454.508 1.639 50 40 JDGB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 13109346 YOVGWGNBGGEDNZ-AWEZNQCLSA-N 474.495 1.968 50 40 JDGB CC1(C)O[C@@H]2O[C@H](C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 17186199 WXWPSJSWPSNOHC-IMPIEMTGSA-N 491.324 1.916 50 40 JDGB CCOC(=O)Cc1[nH]nc2c1[C@H](c1ccc(OCCN3CCOCC3)c(OCC)c1)C(C#N)=C(N)O2 19852637 XUANNBNWUYKGPH-JOCHJYFZSA-N 497.552 1.843 50 40 JDGB CSCC[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100749410 OFWVXUGPCJUTIZ-GEPBSXRESA-N 455.168 1.971 50 40 JDGB Cc1cccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)c1 408660732 VDPNIHMWNLNWLZ-INIZCTEOSA-N 472.885 1.146 50 40 JDGB C[C@@H]1NC(C(=O)OCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)=NN(c2ccccc2)C1=O 12546000 PHHOXTXYVRZKAR-HNNXBMFYSA-N 458.478 1.758 50 40 JDGB O=C(COc1ccccc1)NNC(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2)cc1 8398057 HDNXHDYCKSXACW-UHFFFAOYSA-N 462.462 1.367 50 40 JDGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@H](C)Oc2ccc3c(C)cc(=O)oc3c2)cc1 13057427 HODKEFNUZWNMSM-ZDUSSCGKSA-N 459.480 1.837 50 40 JDGB O=C(CCC(=O)c1cccs1)NCCC(=O)OCC(=O)NNC(=O)COc1ccc(Cl)cc1 16046805 CBVZVTUSODZDIG-UHFFFAOYSA-N 495.941 1.640 50 40 JDGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCC(=O)Nc1ccccc1OC 409020112 LXUWFPSNWTXZJE-MFKUBSTISA-N 470.526 1.894 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccccc1 409267934 XALURKKVBCILMA-FOGHPNEFSA-N 468.510 1.848 50 40 JDGB CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1 408668524 MACBCZYGSXGRID-UHFFFAOYSA-N 481.914 1.467 50 40 JDGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1 408681359 HXOGZFDBFQJEJA-JMUWXNPOSA-N 469.244 1.656 50 40 JDGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1cc(Br)c(O)cc1O 408720860 GCRSMNBTDYGQEP-QPSGOUHRSA-N 472.259 1.993 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCC(=O)Nc1cccc(C)c1C 409170533 WFEHVZLSGNVLFP-VULFUBBASA-N 470.526 1.932 50 40 JDGB CCOc1cccc(/C=N\NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)c1OCC(=O)O 409217209 TVTYEAYISQGQOC-VROXFSQNSA-N 456.455 1.187 50 40 JDGB N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9058339 VQXXLCRMLNJLNR-SDNWHVSQSA-N 472.504 1.787 50 40 JDGB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4[C@@H]3Br)cc1 9581302 YZZXCVUNZBWKGI-BKBBYTFDSA-N 466.284 1.916 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(Cl)c2Cl)c1CN1CCOCC1 15162543 VOJIRSXTDBJIRS-ODCIPOBUSA-N 466.289 1.135 50 40 JDGB COc1cc(C(=O)C/C(CCC(=O)Nc2ccccc2[N+](=O)[O-])=N\NC(=O)C(N)=O)ccc1O 17195491 BUKFDNXANIDJEY-CFRMEGHHSA-N 471.426 1.258 50 40 JDGB COc1ccc(NC(=O)NNC(=O)CCCC(=O)NNC(=O)Nc2ccc(OC)cc2)cc1 104081954 PCVDUAUEFLHVLK-UHFFFAOYSA-N 458.475 1.880 50 40 JDGB COCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)NCc1ccco1 408601267 AQLPCRGFUJHFKD-BHGWPJFGSA-N 495.330 1.340 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1 409170992 YAVJMTLNFAXKBR-BHGWPJFGSA-N 495.305 1.818 50 40 JDGB COc1cccc(-c2c(C(=O)N/N=C/c3ccc(OCC(=O)O)cc3)nnn2-c2nonc2N)c1 1869447 GIRZIRKJQSVBHJ-AUEPDCJTSA-N 478.425 1.135 50 40 JDGB CCCn1nc(C(=O)NNC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)c2ccccc2c1=O 12853566 AEYJTDWLBRPHJO-CYBMUJFWSA-N 472.527 1.624 50 40 JDGB O=S1(=O)C[C@H](Cl)[C@H](NS(=O)(=O)c2cc(Br)ccc2Br)C1 157774429 FMPBXTVIPXCAEF-DTWKUNHWSA-N 467.588 1.894 50 40 JDGB COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1 408652157 FNEIIJVGZNJKGB-HNNXBMFYSA-N 473.869 1.484 50 40 JDGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 58884283 YKINTBRQXXPMQX-BVTBEYEISA-N 452.511 1.688 50 40 JDGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)NNC(=O)c1ccccc1 408671434 YCNASVGECGUOBU-IDPBPBMLSA-N 461.474 1.840 50 40 JDGB COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)c2)cc1 409253067 GAFLYUCIADGGJF-HMHIXTCJSA-N 454.483 1.458 50 40 JDGB COc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CSC1=NCCS1 8691604 WHDRZXOPRHXSMY-DNTJNYDQSA-N 459.517 1.341 50 40 JDGB Cn1cnnc1SCc1c(C(=O)N/N=C/c2ccc(Cl)cc2)nnn1-c1nonc1N 9478414 ISLGEXISXCZIFE-KPSZGOFPSA-N 459.883 1.071 50 40 JDGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 9662715 XTWWVRVKNYACRM-UHFFFAOYSA-N 495.623 1.970 50 40 JDGB COC(=O)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1 9291503 SXQZDKPOJIIULP-WYMPLXKRSA-N 475.469 1.419 50 40 JDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)cc1C 39986712 DBUBIFTXPDWKBY-UUYOSTAYSA-N 465.528 1.800 50 40 JDGB CN(CC(=O)NNC(=O)CC[C@H]1Cc2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)cc1 14244801 MEXJCVQSKRZBPQ-HNNXBMFYSA-N 478.958 1.699 50 40 JDGB O=C(COC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)NNC(=O)c1ccc(Cl)cc1 408654377 BKXNZOUUJHFFLG-INIZCTEOSA-N 485.880 1.733 50 40 JDGB COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@H](c1ccc(F)cc1)C=2C(=O)Nc1ccc(C)cc1 3769894 QYNNMWLUEKJCDC-OLROSQPISA-N 490.516 1.549 50 40 JDGB C/C(=N\NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCO2 9335239 NNICYNITNBAWCQ-XQNSMLJCSA-N 459.524 1.909 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C2/C(=O)Nc3ccccc32)c(OC)c1 27570088 AYAORTUWDLHZIN-HXUWFJFHSA-N 493.476 1.348 50 40 JDGB CCC(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1 408530800 FWKNSBASZXRSIP-GIEPYWIESA-N 451.439 1.659 50 40 JDGB O=C(NNC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)c1ccc(Br)cc1 408681085 FAEKAUKNZFUDHU-DZDPUUJWSA-N 458.106 1.781 50 40 JDGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCc3ccccc3)c(NCCOCCO)nc12 2695327 SIXUTNGAIPGZJU-CAPFRKAQSA-N 461.522 1.690 50 40 JDGB CCCN1C(=O)/C(=N\NC(=O)CC(=O)N/N=C2/C(=O)N(CCC)c3ccccc32)c2ccccc21 18227727 BFOSFUWWQCSCNT-XWFWGDPBSA-N 474.521 1.931 50 40 JDGB COc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Br)cc3)CC2=O)cc1 408652700 GWALRBZTTOAKPN-CQSZACIVSA-N 490.310 1.815 50 40 JDGB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccccc1 408654261 BCLDUMPATUKWDX-GHIJRLNRSA-N 489.528 1.633 50 40 JDGB COc1ccc(/C=C/C(=O)NNC(=O)COc2ccccc2C)cc1S(=O)(=O)N1CCOCC1 9662146 NCUUZWARDDMDKI-CSKARUKUSA-N 489.550 1.264 50 40 JDGB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1nn(-c2ccccc2)cc1O 10159952 NMFHIKVFVOBVHN-UHFFFAOYSA-N 463.903 1.361 50 40 JDGB O=C(NCc1ccco1)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408784144 SKYBTPRYEWHTTL-JJFYIABZSA-N 464.887 1.771 50 40 JDGB CCOc1cc(/C=C(\C#N)C(=O)NCCOC)cc(I)c1OCC(=O)O 408809427 RNMWRCVYNOJBBF-WUXMJOGZSA-N 474.251 1.823 50 40 JDGB O=C(N/N=C1/C(O)=Nc2ccc([N+](=O)[O-])cc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 9128426 IFNVGGLMWRCQLK-UHFFFAOYSA-N 459.440 1.351 50 40 JDGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(C)(=O)=O)c1 20211136 BRBNEYXCVPRMGA-WSDLNYQXSA-N 481.527 1.646 50 40 JDGB Cc1cc(OCc2ccc(C(=O)NNC(=S)NCCCN3CCOCC3)o2)ccc1[N+](=O)[O-] 36611131 ZYAAGWNRCWWKLN-UHFFFAOYSA-N 477.543 1.906 50 40 JDGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)NNC(=O)c1ccc(Cl)cc1 408685141 OUKOWMZBDAJMNA-ORIIPUBOSA-N 471.691 1.215 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C)c1ccc(Cl)cc1 8970692 DNFVBFDLLPGIKT-ZVBGSRNCSA-N 473.910 1.461 50 40 JDGB CC(=O)N[C@@H]1[C@@H](OCCCCCCCl)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 9592227 YMILTQQBIHTPST-KNJMJIDISA-N 465.927 1.458 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1 409150312 BGLIYCCZBKOYOH-BRJLIKDPSA-N 476.917 1.887 50 40 JDGB CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 11667592 JZYQZULWLVEVLH-BUVRLJJBSA-N 458.540 1.750 50 40 JDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 104426281 LANCGODCGYZJLX-OEXSDOSWSA-N 455.920 1.620 50 40 JDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 3442334 GDIRQCYOSBHZOW-KRWDZBQOSA-N 465.915 1.726 50 40 JDGB Cc1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)c(C)o1 3449156 HXGXQPZDLQSPHD-UHFFFAOYSA-N 490.582 1.982 50 40 JDGB O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 12602839 RRRNOCSUMHFTIH-UHFFFAOYSA-N 493.339 1.556 50 40 JDGB O=C(Cc1cn2ccsc2n1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 17444369 SBUZNJAPOFXDRD-UHFFFAOYSA-N 469.548 1.878 50 40 JDGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1OC 20210066 LBZFNLADTRFNGU-CIAFOILYSA-N 465.484 1.765 50 40 JDGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(C)(=O)=O)c(OC)c1 408771510 HLFPPWLQTANJQW-CIAFOILYSA-N 451.501 1.637 50 40 JDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)cc(OC)c1O 2344061 NQQZFAJUNPQSPB-LSHDLFTRSA-N 450.415 1.386 50 40 JDGB COc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)c2cc(C)oc2C)cc1 13138081 UCGGHJOHMVRKMF-KRWDZBQOSA-N 455.558 1.766 50 40 JDGB O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)c1ccc2c(c1)OCO2 22616754 GBAFUARIOVSMPJ-UHFFFAOYSA-N 477.495 1.096 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccc(OC)cc1 409268111 YDTWXZRNFZVMKO-SODVTCOWSA-N 498.536 1.857 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc2c(c1)OCO2)c1ccc(F)cc1 9234547 IBINCJSBBAOTFU-AUEPDCJTSA-N 450.390 1.921 50 40 JDGB O=C(CSc1nnc(NC2CCCCC2)s1)NNC(=O)Cn1nnc(-c2ccccc2)n1 9633181 XYPBWIDFDWAJGQ-UHFFFAOYSA-N 473.588 1.876 50 40 JDGB Cc1cccc(-c2nnc(S)n2CC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 12702532 UDUGOQXQKHNVCV-UHFFFAOYSA-N 473.584 1.605 50 40 JDGB CCOc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2nncn2C)cc1 13788009 MNKCNZFIBAXPCL-SSDVNMTOSA-N 483.518 1.206 50 40 JDGB COc1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)cc1OC 33757218 YCRLBXXFHZSDSY-DOQYOOLYSA-N 469.506 1.388 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccncc1)c1ccc(I)cc1 409024191 BBZJGNOMHAXZEB-VCHYOVAHSA-N 458.281 1.603 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)N1CCCC1 409257926 UTOGJYNBQHOLSU-LGJNPRDNSA-N 482.493 1.192 50 40 JDGB COc1cccc(-c2c(C(=O)N/N=C/c3ccc(NC(C)=O)cc3)nnn2-c2nonc2N)c1 2449312 UKDYFOVMGZAFGI-FOKLQQMPSA-N 461.442 1.630 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1cccc(OC)c1 409261363 ASXCGAXTONCGTP-ZMOGYAJESA-N 454.483 1.840 50 40 JDGB O=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)NNC(=O)[C@H]1COc2ccccc2O1 12855649 MGEZFFOZWHMDRL-OAHLLOKOSA-N 473.429 1.361 50 40 JDGB O=C(CNC(=O)c1cccs1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 17521265 RNGKJNBGVPYENR-UHFFFAOYSA-N 472.548 1.418 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC)ccc1OCC(=O)NCc1ccccc1 409157510 QXSYFINZHJZKRM-JVWAILMASA-N 470.526 1.383 50 40 JDGB NS(=O)(=O)c1ccc(NNC(=O)c2ccc(Sc3ncn[nH]3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 9612383 ZXELHKBDIIPLDW-UHFFFAOYSA-N 480.444 1.177 50 40 JDGB O=C(NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1)c1ccccn1 11605094 XUFAUPRFCPKCSJ-INIZCTEOSA-N 467.345 1.849 50 40 JDGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccccc1I 14245981 CQSPHIWZWXJQEU-UHFFFAOYSA-N 472.308 1.968 50 40 JDGB Cc1cc(Br)c(OCC(=O)N/N=C/c2cc(=O)[nH]c(=O)[nH]2)c(Br)c1 14920615 ZLXKBUDHSDTCMR-YAXRCOADSA-N 460.082 1.426 50 40 JDGB O=C(O)CS[C@@H](NNC(=O)C(=O)NN[C@H](SCC(=O)O)c1ccccc1)c1ccccc1 16758414 ZCSDAMAXHPJBDD-WOJBJXKFSA-N 478.552 1.261 50 40 JDGB Cc1cccc(C(=O)NN2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)c1 408660734 VDPNIHMWNLNWLZ-MRXNPFEDSA-N 472.885 1.146 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)c(OC)c1 409173887 KZGSVSMPPNKVKA-DHRITJCHSA-N 456.499 1.542 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 28213020 IXHFSBXCLKGKMZ-NFCNUSAFSA-N 488.566 1.277 50 40 JDGB C/C(CCc1ccccc1)=N\NC(=O)c1nnn(-c2nonc2N)c1CNc1ccccc1C(N)=O 9234747 QEWRTUBVTGFPPI-MZJWZYIUSA-N 488.512 1.682 50 40 JDGB Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccccc1C(F)(F)F 12790393 BYRQXUUSGJFQIH-UHFFFAOYSA-N 450.464 1.930 50 40 JDGB CCOc1ccc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 15914698 SGEYWTAGVJNXNY-UHFFFAOYSA-N 467.931 1.834 50 40 JDGB O=C(COc1ccc(/C=N\NC(=O)CC(=O)NCc2cccnc2)cc1)NCc1ccccc1 58873264 NVJMKGSXDZBTJP-RHANQZHGSA-N 459.506 1.933 50 40 JDGB COC(=O)C1=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(OC)cc1 2223908 SRKQWRGMYXJBBK-QDDTUJKSSA-N 475.526 1.528 50 40 JDGB CC1(C)O[C@@H]2O[C@@H](C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 8399533 WXWPSJSWPSNOHC-JMIFQINSSA-N 491.324 1.916 50 40 JDGB COC[C@H](C)NC(=S)NNC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1 9396715 HIDUSRBGOAHOQN-NSHDSACASA-N 460.965 1.555 50 40 JDGB COc1ccc([C@H](CC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)NC(C)=O)cc1 12993361 ACWUIFGPPGKHCY-INIZCTEOSA-N 468.919 1.025 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccc4c(c3)OCCO4)CC2)cc1 13023407 KGKLMFXZIARJFT-UHFFFAOYSA-N 459.524 1.628 50 40 JDGB COC(=O)COc1ccc(/C=N/NC(=O)CNC(=O)COc2ccc3c(c2)CCCC3)cc1 22535398 NXWLMRKACWOTQS-LGJNPRDNSA-N 453.495 1.763 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCC(=O)Nc1ccccc1CC 409164294 GDWUMXNBIAYBPN-CVKSISIWSA-N 470.526 1.878 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=S)Nc3ccc(Cl)cc3)CC2)cc1 16712418 GHMUMAIIPUSKGN-UHFFFAOYSA-N 482.031 1.973 50 40 JDGB O=C(COc1ccc(Br)cc1)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 17068525 CSTLQIYTGTYAPL-UHFFFAOYSA-N 457.284 1.945 50 40 JDGB N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)OC2)[C@@]12C(=O)N(CC(N)=O)c1ccccc12 20745832 MWAUBDNSNQXXTA-QHCPKHFHSA-N 461.865 1.435 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)c1CN1CCCc2ccccc21 37259928 NRZUFDNZGHCZEI-MSXFZWOLSA-N 488.468 1.857 50 40 JDGB C[C@H](NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl)c1ccccc1 408655076 CPPOXCWCEONPJE-RUUYWKFQSA-N 453.322 1.873 50 40 JDGB CN(C)c1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(N(C)C)cc2)C=3C#N)cc1 35199968 AIXIDOJZQNMFCW-CXSSSTRGSA-N 468.586 1.993 50 40 JDGB O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)NNC(=O)c1ccc(Br)cc1 408658309 ILLUWRNDAPHVFL-UHFFFAOYSA-N 474.267 1.721 50 40 JDGB CC1(C)O[C@H]2[C@H](COC(=O)c3ccc([N+](=O)[O-])cc3)O[C@H](NC(=O)N(CCCl)N=O)[C@@H]2O1 5374514 YASNUXZKZNVXIS-XQLPTFJDSA-N 472.838 1.928 50 40 JDGB in-man COc1ccccc1C(=O)NCCC(=O)NNC(=O)Cc1nc2sc(C)c(C)c2c(=O)[nH]1 9883406 GESLPEPQJSVBNQ-UHFFFAOYSA-N 457.512 1.120 50 40 JDGB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N/N=C1\C(=O)Nc2cc3c(cc21)OCCCO3 17426815 ZSNQTGJYADNWAO-UHFFFAOYSA-N 478.486 1.982 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccn1)c1ccc(I)cc1 409025038 PQTHBMGPRDLNLV-VCHYOVAHSA-N 458.281 1.603 50 40 JDGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OCC)cc2)c(OC)c1 409160184 WFKWHAKIALANJX-AFUMVMLFSA-N 454.483 1.864 50 40 JDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)ccc1O 1881188 KNLNBJHKMMUCDP-GZIVZEMBSA-N 464.398 1.106 50 40 JDGB Cc1cc(NC(=O)CN2C(=O)[C@@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)no1 17527477 VSVRKMIEBXLUGO-CWPTYNHPSA-N 461.110 1.699 50 40 JDGB COc1c(Br)cc(/C=N\NC(=O)CN2CCOCC2)cc1I 59246579 UUHHBAJJDOVKTN-IUXPMGMMSA-N 482.116 1.845 50 40 JDGB Cc1nnc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)s1 138993122 DMDGZMOEQLQIJE-UHFFFAOYSA-N 470.305 1.332 50 40 JDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 409024331 JUYDJDUPYOFTII-RGVLZGJSSA-N 464.456 1.063 50 40 JDGB O=C1Nc2ccccc2/C1=N/NC(=O)c1cc(C(=O)N/N=C2/C(=O)Nc3ccccc32)cc([N+](=O)[O-])c1 9871625 NXZJPSMPDDGCFI-UHFFFAOYSA-N 497.427 1.767 50 40 JDGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1C)c1ccc2c(c1)OCO2 33870060 AMBMVQLWNPUAFT-NEZKYZOSSA-N 467.490 1.490 50 40 JDGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccccc3)o2)c(OC)c1 408771791 JBBQJPXNWHQZEI-QRVIBDJDSA-N 486.506 1.864 50 40 JDGB C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccncc1 13142628 WLWVBUXURXXPLZ-PXLXIMEGSA-N 480.388 1.691 50 40 JDGB COC(=O)[C@@H](Cc1nc2ccccc2nc1C)/C(=N\NC(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1 102949941 BEBKLCLJNBWQGB-RDZBOHOKSA-N 479.453 1.841 50 40 JDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(OC)c(OC)c2OC)cc1OC 16186893 NOMQNYWJTCOSLC-WSDLNYQXSA-N 481.527 1.500 50 40 JDGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c1 58881941 TZBOBGRRBXOYCN-KXQYEYADSA-N 484.509 1.467 50 40 JDGB Cc1cccc(C)c1N1C(=O)C(=O)[C@H](c2nc3ccccc3s2)/C(=N\NC(=O)NN)C1=O 104277570 RISLEAPECJYVQI-XMWJKPIOSA-N 450.480 1.668 50 40 JDGB CSCC[C@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 105303645 OFWVXUGPCJUTIZ-KVEBOGDBSA-N 455.168 1.971 50 40 JDGB N#CC1=C(N)n2c(s/c(=C\c3cccc([N+](=O)[O-])c3)c2=O)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 1762787 HRPMQURERTYCRG-YSLLPBIDSA-N 472.442 1.678 50 40 JDGB COc1cccc(-c2c(C(=O)N/N=C(\C)c3ccc(O)c(OC)c3)nnn2-c2nonc2N)c1 9235213 QVFLGPRRMQMELO-FOKLQQMPSA-N 464.442 1.776 50 40 JDGB O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 12863585 JZWNPZLOWMUNNV-UHFFFAOYSA-N 472.383 1.768 50 40 JDGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1 20207877 XLSDQIPHQGJJAZ-BUVRLJJBSA-N 488.566 1.149 50 40 JDGB Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cn(C[C@H](O)CN3CCCC3)c3ccccc23)cc1 28295703 RETCURITWRCGCF-ODDBZWQPSA-N 497.621 1.835 50 40 JDGB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1 5028632 QLCVNZBNTGHOQV-OXQOHEQNSA-N 498.492 1.922 50 40 JDGB COc1ccc(/C(C)=N/OCC(=O)N/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1 9191186 ONGJLMBWZBNPNM-ZUALRNRESA-N 465.510 1.593 50 40 JDGB Cn1nc(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2c1=O 9507404 IHKAOVJWPUARLC-UHFFFAOYSA-N 480.484 1.767 50 40 JDGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)NC2CCCC2)o1)C(=O)Nc1cccc(Cl)c1 408790364 QSOKCLWBZCCSDG-MSXFZWOLSA-N 459.890 1.697 50 40 JDGB O=C(COc1ccc(Br)cc1)NNC(=O)CSc1nnnn1-c1ccccc1 9396690 SYAYGEATJMMCLG-UHFFFAOYSA-N 463.317 1.743 50 40 JDGB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 12802602 RXJYWPDSQMDNHT-OAHLLOKOSA-N 463.585 1.292 50 40 JDGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 58884277 YKINTBRQXXPMQX-JDJDKPJZSA-N 452.511 1.688 50 40 JDGB COC(=O)C1=c2s/c(=C/c3cccc(OC)c3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccc(OC)c1 1516854 RDRDSANEZQUMDJ-PYIVIEQSSA-N 475.526 1.528 50 40 JDGB CC(C)CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)NCc1ccco1 408611990 TUGOPJBSULLWNW-YSURURNPSA-N 479.331 1.960 50 40 JDGB COC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc1 408653754 AMUBKLMRXUBLND-PWTXATHPSA-N 483.304 1.421 50 40 JDGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(N3CCC(C)CC3)nc12 13123106 WISICRYVALTLSE-XCMFGDQWSA-N 469.567 1.450 50 40 JDGB COCCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 59960491 ATBLCOJCBZEZET-FELJGRNJSA-N 454.527 1.936 50 40 JDGB CCOc1ccc(-c2c(C(=O)N/N=C/c3cccc(OC)c3O)nnn2-c2nonc2N)cc1 1884164 ZHZIHPAXMLLMEM-FOKLQQMPSA-N 464.442 1.776 50 40 JDGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(OCC(=O)OC)c1)S(C)(=O)=O 20210494 HUWURGYJHODIME-LPYMAVHISA-N 463.512 1.553 50 40 JDGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1ccc(I)cc1Cl 101141563 PKHHYIDTYAYPIE-DEDYPNTBSA-N 458.643 1.914 50 40 JDGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c(N3C[C@H](C)O[C@@H](C)C3)nc12 108562204 LHOKHXFDQNQIHG-CLNPCTRVSA-N 451.527 1.819 50 40 JDGB CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)nnn2-c2nonc2N)c1 1887504 SHNOIWYBJGBVAF-SSDVNMTOSA-N 463.414 1.970 50 40 JDGB CNC(=O)C1=C2S[C@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 3764194 ICQGUOLSOICMCQ-OCCSQVGLSA-N 466.441 1.961 50 40 JDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1 58873618 FJNCXBLDCNEAQX-MZJWZYIUSA-N 464.478 1.750 50 40 JDGB O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)c1cc(Cl)ccc1Cl 13138083 JUDCMAIDXFZAMY-UHFFFAOYSA-N 474.322 1.894 50 40 JDGB COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)c(OC)c1 408686111 SAWOQMRWIHZWFD-NRHSGRHJSA-N 485.320 1.651 50 40 JDGB CCOC(=O)COc1cc(/C=N\NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)ccc1OC 409208149 BHSWGRLYLRQWBW-GATIEOLUSA-N 470.482 1.276 50 40 JDGB O=C(CCCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O)N/N=C\c1cc([N+](=O)[O-])ccc1O 4962672 NSIWSAFBWGWORD-NGHQTVFFSA-N 458.387 1.685 50 40 JDGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(C)(=O)=O)cc1 8721619 RFWBFZQJYLGRJN-HMHKGCENSA-N 450.473 1.917 50 40 JDGB CCOC(=O)c1ccc(S(=O)(=O)NCCCC(=O)NNC(=O)c2ccccc2F)cc1 9128298 BXVQKDMIGQBKOR-UHFFFAOYSA-N 451.476 1.522 50 40 JDGB CN(Cc1c(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)nnn1-c1nonc1N)C1CCCCC1 9235602 KIJCUSPZMYXCCE-BHGWPJFGSA-N 497.516 1.224 50 40 JDGB O=C(NNC(=O)c1ccc(Br)s1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 9442482 DEQNGMWXRLAVSZ-UHFFFAOYSA-N 492.348 1.745 50 40 JDGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CNC(=O)c3cccc(C)c3)c2)cc1 12525838 DEVLGBPCWFUWHE-UHFFFAOYSA-N 496.545 1.995 50 40 JDGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCOCC2)=C(C#N)[C@H]1c1cccc(Br)c1 409314961 ICYIGGFVDGKMPI-IAGOWNOFSA-N 494.367 1.779 50 40 JDGB C[C@H]1CCc2sc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2C1 9783423 SAYGHPAKDPHICS-AWEZNQCLSA-N 463.581 1.969 50 40 JDGB CCOC(=O)C1=c2s/c(=C\c3cccc(OC)c3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccc(OC)c1 1516844 WFBHUSZOCLORBA-OCBOALCKSA-N 489.553 1.918 50 40 JDGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(Br)cc2)c2ccccc21 1308618 AHJXSYAFGSWCRC-PLRJNAJWSA-N 487.310 1.609 50 40 JDGB O=NN(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 8613283 HXXAQBDEBJBHDG-LQGKIZFRSA-N 456.375 1.087 50 40 JDGB CCn1nc(C(=O)NNC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)c2ccccc2c1=O 9836279 KKQAEOBTBKZGJX-FQEVSTJZSA-N 499.593 1.879 50 40 JDGB O=C(CCC(=O)OCC(=O)NNC(=O)c1ccccc1Cl)NNC(=O)c1ccccc1Cl 408667095 JEAJMQWIITXEQO-UHFFFAOYSA-N 481.292 1.539 50 40 JDGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(OC)c(OC)c2OC)cc1OC 409147650 YITTVOHUFRWZKK-SRZZPIQSSA-N 467.500 1.158 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(O)cc2O)c1CSc1ccccc1 2396797 SKPPZILRQXXGLL-ZVBGSRNCSA-N 452.456 1.700 50 40 JDGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)CN3C(=O)NC4(CCCC4)C3=O)cc2)cc1 9365627 HXPRSNTVJTXYOW-UHFFFAOYSA-N 461.478 1.616 50 40 JDGB CCS(=O)(=O)c1ncc(Br)c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])n1 28286822 NZTCRQGJDMPDOE-UHFFFAOYSA-N 458.250 1.016 50 40 JDGB COC(=O)c1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)cc1 39948780 QAZJWUUMBQOBHG-ICXMQADFSA-N 467.490 1.157 50 40 JDGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)c1 16594199 ZAWDVRNPYFLCCU-UHFFFAOYSA-N 497.577 1.838 50 40 JDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)c1 20210864 FQALRRHBCXGZAT-WSDLNYQXSA-N 479.511 1.172 50 40 JDGB O=C(COc1ccc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)cc1)NC[C@H]1CCCO1 58873172 CJGBFZVVLROBFV-RZVXFNBMSA-N 466.538 1.560 50 40 JDGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 58881505 PYYXXHXKUXXRIR-PYGAFPFSSA-N 454.483 1.458 50 40 JDGB O=C1[C@H]2[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H]2C(=O)N1N[C@@H]1CC[C@@H]([N+](=O)[O-])C[C@@H]1[N+](=O)[O-] 104159890 XSAMGEPLRIMHQZ-VDONBHLQSA-N 478.116 1.379 50 40 JDGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCCOC)cc1OC 409157779 WIGHSGFWXHSUBH-CVKSISIWSA-N 470.526 1.878 50 40 JDGB Cc1ccc(NC(=S)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 34849582 ITSUREMFPWYPKU-UHFFFAOYSA-N 461.613 1.628 50 40 JDGB COc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(=O)C(C)C)cc3)C2=O)c1 408528065 AREJGXGOXDWLND-SZMVHAFZSA-N 465.466 1.905 50 40 JDGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408533525 JZVZYUTVQJDOFS-JOYBEIBISA-N 453.499 1.880 50 40 JDGB COc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCC(N)=O 408989726 LTPOEAUFAFZWOY-DUVZWTOYSA-N 494.508 1.270 50 40 JDGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C 3450803 DHVUKNZXDYEQKN-GZTJUZNOSA-N 460.512 1.488 50 40 JDGB O=C(CBr)OCC(COC(=O)CBr)OC(=O)CBr 1570867 CJUOWAWICLNGCQ-UHFFFAOYSA-N 454.893 1.169 50 40 JDGB CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2ccc(OCC(N)=O)c(OC)c2)C(C#N)=C(N)O1 2267178 GIEXUXHHHFDRJZ-LJQANCHMSA-N 459.455 1.137 50 40 JDGB CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1cc(Cl)ccc1OCC(N)=O 9305932 KTZVRVYWHWBYKQ-VQKFABDRSA-N 474.901 1.838 50 40 JDGB CCn1c(C)nc2cc(C(=O)NNC(=O)C3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)ccc21 15347807 LGXKWHQHFQRQII-UHFFFAOYSA-N 494.577 1.987 50 40 JDGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1ccc(O)cc1 408743133 UUVNWRCGSHEQBB-IEEVUCOHSA-N 461.297 1.934 50 40 JDGB CN(C)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1 2336332 MDWAUWBBRFVUAH-ZMOGYAJESA-N 460.502 1.699 50 40 JDGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 139067118 YYXPCUABUCUMOL-UHFFFAOYSA-N 478.845 1.980 50 40 JDGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)NCc3ccco3)NC(=O)[C@@H]2C(=O)OC)cc1 409304093 PYXTWQLWCUFAJC-RTBURBONSA-N 483.502 1.854 50 40 JDGB CCOC(=O)C1=NO[C@@H](Cc2c(/C=N/NC(=O)c3ccncc3)c3c(c(OC)c2OC)OCO3)C1 15085451 VINAHFYMEOOIJH-BKUHRTFNSA-N 484.465 1.842 50 40 JDGB Cc1c(C(=O)C/C(=N\NC(=O)C[n+]2ccccc2)C(=O)Nc2ccccc2)[n+]([O-])c2ccccc2[n+]1[O-] 17196820 XNTSQGPYZYTQMD-UHFFFAOYSA-O 499.507 1.086 50 40 JDGB O=C(NNC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)c1ccc(Br)cc1 408681088 FAEKAUKNZFUDHU-PTEOKISQSA-N 458.106 1.781 50 40 JDGB Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1[N+](=O)[O-] 408687662 USLJDFRVRPFCIJ-CPWZOYSTSA-N 453.245 1.956 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)N1CCCC1 409270993 JDERROCRSRCDOF-MFKUBSTISA-N 462.547 1.468 50 40 JDGB COc1cc(C(=O)NCC(=O)N/N=C/c2ccc(OC)c(OC)c2C(=O)O)cc(OC)c1OC 13763813 VPFKJHXBGVVDCG-YSURURNPSA-N 475.454 1.308 50 40 JDGB COc1ccccc1/C=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 36003783 QCQLRBCDQSAWLA-HYARGMPZSA-N 495.399 1.914 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1F 409156539 GEUGQORIUCXOLI-BHGWPJFGSA-N 495.305 1.818 50 40 JDGB CCOc1ccccc1N1C[C@@H](C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1=O 15981579 BUFJHNOUKASDMD-HNNXBMFYSA-N 457.483 1.925 50 40 JDGB O=NN(CC(=O)N/N=C\c1cccc([N+](=O)[O-])c1)CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 31623558 HXXAQBDEBJBHDG-KFSYKRRRSA-N 456.375 1.087 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(F)cc2F)c1-c1ccc([N+](=O)[O-])cc1 1898199 QQWAYAXXFWILBT-GZIVZEMBSA-N 455.341 1.850 50 40 JDGB N#C/C(=C\c1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 9003814 BSFQJKYETXNHQK-ATGUSINASA-N 468.466 1.836 50 40 JDGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(C)(=O)=O)cc1 20210342 FEYYALNYIFNERB-HYARGMPZSA-N 491.526 1.356 50 40 JDGB COc1ccc(NC(=O)CC(=O)N/N=C\c2ccc(N(CCC#N)S(C)(=O)=O)cc2)cc1 31830105 QOJYIHLPYYOQDO-HAHDFKILSA-N 457.512 1.854 50 40 JDGB CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)s1 73417856 CSOROTMZQBWXDV-UHFFFAOYSA-N 490.285 1.529 50 40 JDGB Cc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1 408664379 ZMEFXRXBQFHOLO-OAHLLOKOSA-N 472.885 1.146 50 40 JDGB O=C(NCc1ccccc1)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408871107 XUCXAXGBMMQJAP-VYYCAZPPSA-N 481.896 1.954 50 40 JDGB N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 9003832 CHHYBXRHVBQENI-ASNKMWSDSA-N 450.476 1.697 50 40 JDGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(OC)c(OC)c2)c1 33595388 LOZGUUGQUZZTKS-MTJSOVHGSA-N 451.501 1.492 50 40 JDGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408767520 MALKPUUMMXADDA-KENWVSPPSA-N 468.919 1.157 50 40 JDGB COc1ccc(OC)c(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)c1 1879452 XAOFRDCKZCBMAZ-LSHDLFTRSA-N 479.413 1.589 50 40 JDGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 408771830 IJHROMFFFHSJGG-DEDYPNTBSA-N 450.473 1.918 50 40 JDGB O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1)NCc1ccccc1 409254892 JPELBTDODONDLR-SIQOIFSASA-N 472.929 1.781 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1cccc(C)c1 409257395 SLRKVGGWWDTPLY-JMJNUIHMSA-N 468.510 1.766 50 40 JDGB CN(C)c1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(N(C)C)cc2)C=3C#N)cc1 989252 AIXIDOJZQNMFCW-ZWULCIMOSA-N 468.586 1.993 50 40 JDGB CSCC[C@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br 1750151 OFWVXUGPCJUTIZ-NJNULVQQSA-N 455.168 1.971 50 40 JDGB CN(C)Cc1c(C(=O)N/N=C/c2ccccc2OCc2ccc(F)cc2)nnn1-c1nonc1N 3640527 BYFXZSJFKNLVKP-OPEKNORGSA-N 479.476 1.776 50 40 JDGB Cc1cccc(OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc2cccc(C)c2)c1 8398698 BZDAHQYFSYRQHR-UHFFFAOYSA-N 470.526 1.616 50 40 JDGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)N3CCCCC3)o2)cc1 408872958 PWZGFYMCYSFDCU-YSMPRRRNSA-N 497.508 1.174 50 40 JDGB Cc1ccc(SCc2c(C(=O)N/N=C3\C(=O)Nc4ccccc43)nnn2-c2nonc2N)cc1 2453519 QOGWGXMBAPFLSG-UHFFFAOYSA-N 475.494 1.919 50 40 JDGB CN(C)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1 9309555 DKURBQZZICRQBT-AUEPDCJTSA-N 461.442 1.458 50 40 JDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 9318182 CLRMHNJOUVHHCI-GOSISDBHSA-N 463.487 1.214 50 40 JDGB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNC(=O)c1ccccc1 408667851 TXVLNEVIKLVGLN-HBMCJLEFSA-N 475.501 1.553 50 40 JDGB COc1cc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCCN1CCOCC1 26675825 CQAMNIXNQZPGGB-QPPBQGQZSA-N 474.565 1.761 50 40 JDGB C=CCOc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 409143781 HUNNLIINQVUPPG-LPYMAVHISA-N 463.512 1.706 50 40 JDGB CCC/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C)c1ccc(O)cc1 9286668 TZJTZQNGRUXUOU-LPYMAVHISA-N 483.518 1.293 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1ccc(C#N)cc1 9309765 JAYASXQXNHENFT-AFUMVMLFSA-N 456.470 1.895 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc2c(c1)OCO2)c1ccc(C#N)cc1 9499260 JBAYXNSKYCCWNH-BHGWPJFGSA-N 457.410 1.654 50 40 JDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)NC[C@@H]1CCCO1 58882193 GRHFPJVTIMNZLO-OGBFJMLUSA-N 469.454 1.358 50 40 JDGB CC(C)CNC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 409126468 OIAIWMZNKLSTFV-DHRITJCHSA-N 478.546 1.893 50 40 JDGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)NCCOC)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409317177 PJXYXMHPTNCQFH-ZWKOTPCHSA-N 481.958 1.972 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)CCCNC(N)=O)cc2)cc1 9877265 USFBDHAGJVMOQD-UHFFFAOYSA-N 461.544 1.025 50 40 JDGB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1 408678055 CMJIKCXHGDXFIE-NKFXAPPTSA-N 454.273 1.757 50 40 JDGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)NCc3ccncc3)o2)cc1 408780012 PSIZIJXEXRGNCZ-CFRMEGHHSA-N 455.496 1.228 50 40 JDGB COc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)ccc1OCC(=O)N1CCOCC1 409008925 AIWONXJVJNHXPJ-MYYYXRDXSA-N 470.526 1.528 50 40 JDGB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)COc1ccc(Br)cc1 9508655 LKDGGBKBMBITDH-UHFFFAOYSA-N 490.763 1.997 50 40 JDGB O=C(NNc1ccc([N+](=O)[O-])cn1)OCCOCCOC(=O)NNc1ccc([N+](=O)[O-])cn1 17302247 JTZWMHXTFHRXPP-UHFFFAOYSA-N 466.367 1.116 50 40 JDGB COc1cc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1OC(C)=O 30750303 RTBYRSXPKZSJIR-IWIPYMOSSA-N 488.566 1.386 50 40 JDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1)NC[C@H]1CCCO1 58873725 GEKPJNWQSUGOQN-VJWWNUEDSA-N 452.511 1.170 50 40 JDGB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)NNC(=O)c1ccc(Cl)cc1 138787164 CXHBCVILQUTCCV-CYBMUJFWSA-N 493.303 1.491 50 40 JDGB CC(C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)NCc1ccco1 408612984 YCFZECVKYHCHPU-LSFURLLWSA-N 465.304 1.712 50 40 JDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CNc2ccccc2)cc1OC 2205282 VZEOCJNBLHCELE-BHGWPJFGSA-N 463.458 1.626 50 40 JDGB COc1ccc(/C=N/OCC(=O)N/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)cc1 20130823 PGKWWUMRLXITLQ-IRPJVQSQSA-N 451.483 1.203 50 40 JDGB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)NNC(=O)c1ccccc1Cl 408672470 ZHQDYNXDHUCMIJ-GFCCVEGCSA-N 460.830 1.606 50 40 JDGB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408687854 VGTLWENGOWFWLD-RZRDZNJRSA-N 451.273 1.698 50 40 JDGB COCCNC(=O)/C(C#N)=C/c1cc(I)c(OCC(=O)O)c(OC)c1 408794662 ANKRKVATEVCRNH-VZUCSPMQSA-N 460.224 1.433 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(Cl)c2Cl)c1CN1CCCC1 8826711 MBZUIMOUMJHRMD-ODCIPOBUSA-N 450.290 1.899 50 40 JDGB Cc1ccc(SCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1C 12991380 UTLBEYXRPGHXNS-UHFFFAOYSA-N 476.624 1.793 50 40 JDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1 20209919 LPHFLIROIMCQFK-SRZZPIQSSA-N 498.355 1.917 50 40 JDGB CC(=O)OC[C@H]1O[C@@H](Br)[C@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 39183924 GRDUQQNEXMJRRS-DUQPFJRNSA-N 498.282 1.198 50 40 JDGB in-vitro CC(C)NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408876491 PINYWRBDYNZDJW-AQHIEDMUSA-N 468.297 1.816 50 40 JDGB CS(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 409027329 AGYZRPDJNLREEC-UHFFFAOYSA-N 496.299 1.596 50 40 JDGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)N3CCCC3)NC(=O)[C@@H]2C(=O)OC)cc1 409309805 MQIKYDRNLFQOID-QZTJIDSGSA-N 457.508 1.567 50 40 JDGB CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1 30599891 PBURDJSNOYEPEV-IBGZPJMESA-N 488.566 1.795 50 40 JDGB O=C(NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)C(=O)NC1CC1 32741392 KIOIMPQEMHUHMU-IBGZPJMESA-N 467.913 1.588 50 40 JDGB CC(=O)Nc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1 408688821 XSGFXDATKACVMX-DJQNJWNESA-N 482.320 1.592 50 40 JDGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cccnc1 408942060 FJZLCLBIQONIPU-FQEVSTJZSA-N 453.524 1.967 50 40 JDGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(OC)c2)c(OCC)c1 409165418 YAZNEXUVXNXOQY-AFUMVMLFSA-N 454.483 1.864 50 40 JDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 20209678 JZEVABODBRFXOI-SRZZPIQSSA-N 453.904 1.808 50 40 JDGB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)CC1=O 138698262 VGTXICKRLCSVDR-GFCCVEGCSA-N 490.856 1.614 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1 409158097 XIIGQRWMFPKDSD-FSJBWODESA-N 477.315 1.679 50 40 JDGB CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)CSc1nnc(Nc2cccc(OC)c2)s1 21021223 SUGGMWUXJNSKBO-HZMBPMFUSA-N 467.577 1.613 50 40 JDGB CN(C)N(C(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 25050938 WMWNZURQAJGBSF-QGZVFWFLSA-N 451.570 1.618 50 40 JDGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)S(C)(=O)=O 28213486 AUEXCLBKMXFFAZ-LSHDLFTRSA-N 452.920 1.429 50 40 JDGB CCCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)[C@@H](C(=O)OC)C(=O)N1 409321515 GVEQWBJTCVVRHS-QZTJIDSGSA-N 459.524 1.860 50 40 JDGB COc1ccccc1NC(=S)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 933415 BESBTRNWYRLOAW-UHFFFAOYSA-N 450.542 1.348 50 40 JDGB COCCn1c(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 2618972 XPOATWQMVMJJSN-UHFFFAOYSA-N 457.468 1.504 50 40 JDGB CC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc1 408659434 JSKLQVBJZSCBAA-PSWKNJSVSA-N 467.305 1.837 50 40 JDGB CNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccccc2C)c(OC)c1 409169972 SBQDMOBCLNTYKW-AUEPDCJTSA-N 477.315 1.980 50 40 JDGB COc1cc(OC)c(/C=N/NC(=O)COc2ccc(-n3cnnn3)cc2)cc1Br 2319865 KAZQFQRNQIQUFG-AWQFTUOYSA-N 461.276 1.971 50 40 JDGB CC(C)c1cccc(N2C[C@@H](C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2=O)c1 13011671 XCPZXLNAQQQIGM-INIZCTEOSA-N 457.556 1.917 50 40 JDGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1OC 20210274 NHGCRMXPDXOQCP-CIAFOILYSA-N 465.484 1.765 50 40 JDGB O=C(COc1ccccc1C(=O)N/N=C\c1ccc(O)c(O)c1)N/N=C/c1ccc(O)c(O)c1 32121684 JWOZYIUEZDYFNK-OEBRIAQWSA-N 464.434 1.802 50 40 JDGB COCCOCCOCCOCCOCCOCCOC(=O)Oc1ccc([N+](=O)[O-])cc1 217071669 LBVAFMHNSCFAMU-UHFFFAOYSA-N 461.464 1.840 50 40 JDGB COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)cc1 408645226 KJBMXDWRLGRMQF-UHFFFAOYSA-N 461.858 1.850 50 40 JDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 408997171 LLWJDZVJDUXABL-XYGFXTTESA-N 468.510 1.136 50 40 JDGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1[N+](=O)[O-] 408720694 CJZHVUXUKBFBIR-NUGSKGIGSA-N 494.424 1.661 50 40 JDGB COc1cc(/C=N/NC(=O)c2ccccn2)cc(I)c1OCC(=O)O 408904406 JACNJXOMLZXSTE-UFWORHAWSA-N 455.208 1.922 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 2640502 FZSROTYMEDYHTR-UHFFFAOYSA-N 499.545 1.437 50 40 JDGB O=C(NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 2624435 KBIOVUCZNQYFHD-UHFFFAOYSA-N 468.875 1.344 50 40 JDGB O=C(COc1ccc(Br)cc1Br)NNC(=O)C[C@H]1CCS(=O)(=O)C1 8763864 OWIZVXKQGTWILR-SECBINFHSA-N 484.166 1.563 50 40 JDGB COc1ccc(/C=N/NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1Cn1cnc([N+](=O)[O-])n1 25581792 KLXSCBLIYOSUID-IFRROFPPSA-N 457.407 1.115 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)c2c(C)ccc(S(=O)(=O)NCCC(=O)NN(C)C)c2C)cc1 95117020 BZYRGKHOMHIIFA-UHFFFAOYSA-N 482.628 1.698 50 40 JDGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1ccco1 408537164 USBCZBCOIIAHJJ-SXUYUPPPSA-N 466.191 1.499 50 40 JDGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2ccccc2)cc1 8452186 ZWTHIASBVKVAQG-CVKSISIWSA-N 496.545 1.905 50 40 JDGB CN(CC(=O)NNC(=O)c1cncn1-c1ccc(F)cc1)S(=O)(=O)/C=C/c1ccccc1 12581464 INRWVJVHNYRXAU-VAWYXSNFSA-N 457.487 1.705 50 40 JDGB C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1c(O)cc(C)oc1=O)c1c(O)cc(C)oc1=O 102254009 ALIPMBARSSVFRR-FWSOMWAYSA-N 460.443 1.172 50 40 JDGB CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)cc(I)c1OCC(N)=O 408806332 ISPDTQSJXQDLBC-NTUHNPAUSA-N 487.294 1.614 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(O)c(OC)c2)c(OC)c1 408923938 MDOHPBBYGTWNHV-CVROGOTKSA-N 498.492 1.739 50 40 JDGB O=C(N/N=C/c1cnn(-c2ccccc2)c1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 9634236 XTRGPMNCVYAZBY-MEEJOMPNSA-N 473.942 1.800 50 40 JDGB Cc1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1Br 12977680 DHNHJJQAZJJMJN-UHFFFAOYSA-N 461.363 1.674 50 40 JDGB O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 18192230 KSWUWMSNHSALOG-CQSZACIVSA-N 453.521 1.659 50 40 JDGB COCCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 58873070 FZRFFNFKIKFMAA-PKAZHMFMSA-N 454.527 1.417 50 40 JDGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc1 58873908 NWWMMLIWTWKBKJ-MZJWZYIUSA-N 461.478 1.874 50 40 JDGB Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1 97664326 VQSDGWFOVGKPJG-GZTJUZNOSA-N 485.298 1.747 50 40 JDGB CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]2N[P@](=O)(N(CCCl)CCCl)O[C@@H]21 301054399 FBZORRAABBPNRU-HQZBXFHYSA-N 480.293 1.027 50 40 JDGB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 18208924 SEBDFDPLNUPUJK-IRXDYDNUSA-N 477.521 1.225 50 40 JDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(Cn2cncn2)cc1 102739365 KRLIRDPWSAVRMK-AHUIGUKZSA-N 452.496 1.018 50 40 JDGB COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCC(N)=O 408989729 LTPOEAUFAFZWOY-DXDFFPPDSA-N 494.508 1.270 50 40 JDGB COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccnc1)C=2C(=O)Nc1ccc(C)c(C)c1 8756250 LAZYCOLGPFHURT-JYWRCUDFSA-N 487.541 1.113 50 40 JDGB C=CCN1/C(=N/C=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)S[C@@H]2CS(=O)(=O)C[C@H]21 9130516 OFLMKAIZSDCAEC-ZXBQDXSGSA-N 490.607 1.526 50 40 JDGB COc1cccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)c1 408687076 UEHYDDWVHYVBTJ-PWTXATHPSA-N 455.294 1.643 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)cc(Cl)c1OCC(=O)Nc1ccccc1 409160593 URGRIYUCRPTFHO-DHRITJCHSA-N 476.917 1.969 50 40 JDGB Cc1ccccc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)S(C)(=O)=O 4082548 JTZQMEWRGBUSPZ-HYARGMPZSA-N 475.527 1.656 50 40 JDGB COCCOC(=O)CCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12137603 INIZAYFAKMWOTO-UHFFFAOYSA-N 478.571 1.811 50 40 JDGB O=C(Cc1ccccc1)NCC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 17577233 JZUQIRPPYVCJSL-UHFFFAOYSA-N 472.548 1.669 50 40 JDGB CSCC[C@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100749412 OFWVXUGPCJUTIZ-ORWYPTJLSA-N 455.168 1.971 50 40 JDGB CCOC(=O)N1CCC(NC(=O)CCC(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)CC1 9850986 NLEGNTXDIDAYEU-UHFFFAOYSA-N 458.437 1.984 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2Br)c1CN1CCCC1 12375295 AFJWJNWNXFMXPZ-AWQFTUOYSA-N 460.296 1.355 50 40 JDGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 12977809 ZHVFGKJEQHNXMF-UHFFFAOYSA-N 466.461 1.700 50 40 JDGB CC(C)Oc1ccc(C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)cc1 32928260 UZAMGULCZDGKDS-FQEVSTJZSA-N 491.566 1.965 50 40 JDGB CC1=CC(=O)/C(=C(/C)NNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)O1 36619568 WMZSKTGMMRHYEM-QGOAFFKASA-N 467.931 1.665 50 40 JDGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccc2c(c1)OCO2 408729505 BUECMVMXFHTKDG-AWQFTUOYSA-N 454.424 2.120 50 40 JDGB COc1ccc(N(C[C@@H](O)Cn2cc(/C=N/NC(N)=O)c3ccccc32)S(C)(=O)=O)cc1 8760505 YSGIHEZBWIFXNJ-HPMPDSITSA-N 459.528 1.479 50 40 JDGB O=C(CCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1)NCc1ccccc1 12137599 MPFNAGCXZXVILY-UHFFFAOYSA-N 484.578 1.671 50 40 JDGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CNC(=O)c3ccc(C)cc3)c2)cc1 12521398 DCIMETNPLZTPII-UHFFFAOYSA-N 496.545 1.995 50 40 JDGB CCOc1cccc(-c2c(C(=O)N/N=C/c3ccccc3OCC(=O)O)nnn2-c2nonc2N)c1 1874938 WWAQPKIVSMNDJB-BHGWPJFGSA-N 492.452 1.526 50 40 JDGB O=C(NNC(=O)c1ccc(Br)cc1)C(=O)NNC(=O)c1ccc(Br)cc1 3087277 UGZFKCIOHFPKGZ-UHFFFAOYSA-N 484.104 1.434 50 40 JDGB CC(=O)OC[C@H]1O[C@@H](Cl)[C@@H](OC(=O)C(Cl)(Cl)Cl)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5004707 QLOCGZWRSGBAGP-WTPMCQDGSA-N 470.085 1.659 50 40 JDGB COc1ccccc1C(=O)NCCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9314969 YOVUSAADJABLAW-UHFFFAOYSA-N 474.539 1.061 50 40 JDGB N#C/C(=C\c1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O)C(=O)NCCc1ccccc1 2199682 AIEALMAVFQZLCM-CAPFRKAQSA-N 470.533 1.662 50 40 JDGB COc1ccc(CC(=O)NCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1 8722669 QWIUIJOYYXYMOV-LSHDLFTRSA-N 450.289 1.981 50 40 JDGB CCn1nc(C(=O)NNC(=O)[C@H](NC(=O)COc2ccccc2)C(C)C)c2ccccc2c1=O 26546841 YWCXQKCCBQZRHD-HXUWFJFHSA-N 465.510 1.397 50 40 JDGB CCOc1cc(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(OC)ccc2OC)ccc1O 39986654 XHCWJWMCRZGDOX-MTJSOVHGSA-N 451.501 1.579 50 40 JDGB CCOc1cc(/C=C(\C#N)C(=O)NCCOC)cc(I)c1OCC(N)=O 408810379 ITZNFCJKMCNQEO-WUXMJOGZSA-N 473.267 1.224 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)NCc1ccccc1 409263559 HQTJBXAAYRXNEP-QOOAEOCLSA-N 468.510 1.136 50 40 JDGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)S(C)(=O)=O 28213475 YKZUCJKIOMFHIG-LSHDLFTRSA-N 452.920 1.429 50 40 JDGB O=C(N/N=C/c1ccc2ccccc2n1)[C@H](O)[C@@H](O)C(=O)N/N=C/c1ccc2ccccc2n1 59497646 CXBFGFJKXOHMCE-SOKSOROCSA-N 456.462 1.105 50 40 JDGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)NCCOC)cccc2OC)cc1 408601938 CKXIHPBKZLHUIK-AFUMVMLFSA-N 472.498 1.324 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2F)c1 409164735 MZPGPXFBVNJVKU-BHGWPJFGSA-N 495.305 1.818 50 40 JDGB Cn1cnnc1SCc1c(C(=O)N/N=C/c2ccccc2C(F)(F)F)nnn1-c1nonc1N 9498074 XFEGBUXSLYVDRQ-GEVRCRHISA-N 493.435 1.436 50 40 JDGB C[C@H]1C[C@@H]1C(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 23187772 DWVDESAGLSJIJW-SJCJKPOMSA-N 464.931 1.674 50 40 JDGB C=CCNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1 26690208 BOZSDZINOOLANN-UHFFFAOYSA-N 482.312 1.717 50 40 JDGB CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccccc1)c(=O)n2Cc1ccccc1 9464746 IJEJWHUBGNSLPN-UHFFFAOYSA-N 474.521 1.525 50 40 JDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NC3CCCCC3)o2)cc1 408771066 CRXOSYHEZAXYGY-QFEZKATASA-N 453.499 1.742 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)N1CCOCC1 409259218 YBQFWKMTLCVFIB-ZMOGYAJESA-N 458.446 1.161 50 40 JDGB CCCc1c(C(=O)N/N=C/c2cc(OC)c(OC)cc2Br)nnn1-c1nonc1N 2443558 TXTUOSMELVEPLR-DNTJNYDQSA-N 479.295 1.729 50 40 JDGB CCn1nc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)c2ccccc2c1=O 12817338 SSJOOEGFUYNUHD-HNNXBMFYSA-N 467.913 1.880 50 40 JDGB COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 16186851 ISXVVQZRBBCHHK-CIAFOILYSA-N 451.501 1.492 50 40 JDGB Nc1nonc1-n1nnc(CN2CCOCC2)c1C(=O)N/N=C/c1cccc(Cl)c1Cl 25782549 QVHIXQXGXCBSHC-ODCIPOBUSA-N 466.289 1.135 50 40 JDGB O=C(O)[C@@H](CSSC[C@@H](C(=O)O)N1C(=O)CSC1=S)[C@H]1C(=O)CSC1=S 28294987 PZGFMVDBEHRHRC-WATHFIQWSA-N 471.650 1.642 50 40 JDGB COC(=O)C(=O)C/C(=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C)cc1 95975581 AVWWDKKFRUSNCA-GFMRDNFCSA-N 487.534 1.282 50 40 JDGB CCC(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1 408530791 FWKNSBASZXRSIP-AQXNZCSYSA-N 451.439 1.659 50 40 JDGB COC(=O)C1=c2s/c(=C/c3ccccc3F)c(=O)n2[C@H](c2ccccc2F)C(C#N)=C1N 20459024 DLCSGALGAZAADG-OTJDAXFFSA-N 451.454 1.680 50 40 JDGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 58881728 DDXIABRDZIYFKN-JMJNUIHMSA-N 468.510 1.766 50 40 JDGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCOCC2)cc1 409261410 BTYVPIQYTUAWNA-PCLIKHOPSA-N 466.494 1.578 50 40 JDGB NC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)n2c(-c3ccccn3)nc3ccccc32)c2ccccc21 9327467 RLJJMZCWNZNDIX-VAMRJTSQSA-N 496.487 1.008 50 40 JDGB Cc1ccccc1-n1nnnc1SCC(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 13130820 VXNRVAGARSNRQD-LBPRGKRZSA-N 469.552 1.957 50 40 JDGB O=C(CN1CCC(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)CC1)N/N=C/c1ccc([N+](=O)[O-])cc1 16400339 UQPVSEREMCPWPL-RNIAWFEPSA-N 481.469 1.815 50 40 JDGB Cc1ccc(C(=O)N[C@H](C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)C(C)C)cc1 24290763 NXWLVGKUXCANRO-KRWDZBQOSA-N 459.572 1.812 50 40 JDGB COc1cc(/C=N\NC(=O)Cn2nc(C)[nH]c2=S)ccc1OC(=O)C[C@@H]1SC(=O)NC1=O 32509099 WCPJABYDMNVTPP-BMUZUEETSA-N 478.512 1.055 50 40 JDGB CC[C@H](C)[C@@H](NC(N)=O)C(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 9562584 MPBKTMFQTCSYSL-OXJNMPFZSA-N 489.598 1.660 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(OC)c1 408921964 CWMSSBLSAOENSO-RTMRUCDXSA-N 497.464 1.933 50 40 JDGB O=C(COC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)NNC(=O)c1ccc([N+](=O)[O-])cc1 9712975 QMTNKLINXKOGCL-UHFFFAOYSA-N 471.422 1.723 50 40 JDGB COc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)c(Br)c1O 39940326 UKCFDSWXOLEKCC-IDUWFGFVSA-N 451.115 1.708 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1O 409267573 OBJSJBFURAYCJR-DJKKODMXSA-N 463.272 1.387 50 40 JDGB C/C(COc1ccccc1)=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1 9328783 KJMZRFBELZLAJU-WSDLNYQXSA-N 463.414 1.992 50 40 JDGB O=C(COC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)NNC(=O)c1ccccc1F 22192957 KDMWUSWAQWFIGL-UHFFFAOYSA-N 454.863 1.790 50 40 JDGB COc1cc(C(=O)NCC(=O)N/N=C2/C(=O)N(C(C)C)c3ccccc32)cc(OC)c1OC 100719522 BURZOBCOOBBLMH-LHLOQNFPSA-N 454.483 1.718 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 409170004 SIBKIFKQCIYLQO-KKMKTNMSSA-N 496.442 1.944 50 40 JDGB COCCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)[C@H](C(=O)OC)C(=O)N1 409324460 SYAJDJWZAGVYAK-MSOLQXFVSA-N 475.523 1.097 50 40 JDGB CCOC(=O)CC1=C(C(=O)OCC)[C@]2(C(=O)N(CC(=O)OCC)c3ccccc32)C(C#N)=C(N)O1 2051467 PNBNGSZTFANHAP-XMMPIXPASA-N 483.477 1.329 50 40 JDGB COc1c(Br)c(C[C@H]2CC(C(=O)NN)=NO2)c(Br)c2c1OCO2 15085749 BUFTWLNQFDKHAG-YFKPBYRVSA-N 451.071 1.626 50 40 JDGB COc1cccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)c1O 39948782 LNEPLNFSGFNGPO-DMBOVMDOSA-N 455.479 1.085 50 40 JDGB COc1cc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)ccc1O 408969732 SONRKGLTFATKCO-OEAKJJBVSA-N 477.539 1.969 50 40 JDGB COC(=O)c1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)C=3C#N)cc1 1815693 CDNCBBZPUJPFLJ-TUJQNWBVSA-N 498.520 1.434 50 40 JDGB O=C(COC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)NNC(=O)c1ccccc1 11052877 KDXGTVLZKOLKQB-UHFFFAOYSA-N 491.430 1.364 50 40 JDGB CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)cc1 13129427 ZYNOMNBOIIAHEG-UHFFFAOYSA-N 489.472 1.999 50 40 JDGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(O)c(N/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)c1 16693886 NAAOKYNGKGHOCA-IWSCKCOWSA-N 472.461 1.661 50 40 JDGB Cn1nc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2c1=O 25514165 IFHZZNFJMIJACZ-HGXUUCJMSA-N 477.565 1.902 50 40 JDGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 58881641 RZKRDNHMLZDHSN-WMPMWDHYSA-N 468.510 1.848 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1 9885467 XDWDMDUSQAHMDC-UHFFFAOYSA-N 486.594 1.624 50 40 JDGB O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)NNC(=O)c1ccco1)c1ccccc1 9972831 GYTNZSVEEWDMOC-MSOLQXFVSA-N 466.402 1.576 50 40 JDGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCCC2)ccc1O 12411455 GMIXMGKUMYWTDS-FSJBWODESA-N 469.506 1.477 50 40 JDGB C[C@@H]1CCCCN1Cc1c(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])nnn1-c1nonc1N 33934500 VUJAEVBKFLXCOK-RRSAXVHRSA-N 454.451 1.279 50 40 JDGB CN1C(=O)/C(=N\NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc21 102375436 WRRIPPUBZFAKEH-FLFQWRMESA-N 456.524 1.137 50 40 JDGB Cc1cc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)no1 226515238 VSVRKMIEBXLUGO-DYULWPROSA-N 461.110 1.699 50 40 JDGB O=C(COC(=O)c1cccc(N2C(=O)CCC2=O)c1)NNC(=O)c1ccc(Br)cc1 408650818 ABFFOVCTDPPLAH-UHFFFAOYSA-N 474.267 1.721 50 40 JDGB COc1ccc(/C=N/OCC(=O)N/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)cc1OC 2301469 PZZSGDZEUIGYHW-SAUWOLNXSA-N 481.509 1.211 50 40 JDGB COc1ccc(OC)c(/C=N/NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 9368558 CHEKZHNWFWPYTP-ZVHZXABRSA-N 474.539 1.368 50 40 JDGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccccc1 408868304 PMTSIMKDXVFLPS-CFRMEGHHSA-N 478.421 1.532 50 40 JDGB COc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1 409267969 XIOPRFFUJTYSNK-KTCKORJGSA-N 454.483 1.458 50 40 JDGB CCCCOc1ccc(/C=N/NC(=O)c2c(CN3CCOCC3)nnn2-c2nonc2N)cc1 25782419 DDSUIHYLNNGGDD-YDZHTSKRSA-N 469.506 1.008 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409166275 CNHNQHFAAUEJDU-VULFUBBASA-N 470.526 1.932 50 40 JDGB CCOC(=O)C1=c2s/c(=C/c3ccccc3OC)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1OC 8934381 DXLHDILGGZRHFL-OABJIQBASA-N 489.553 1.918 50 40 JDGB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)NNC(=O)Cc2nc3ccccc3n2C)c1OC 9670573 YPTGVLLKFMUICN-CMDGGOBGSA-N 474.495 1.241 50 40 JDGB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNC(=O)c2cc(C)oc2C)cc1 9908982 OTYZFUOYBIRXTP-UHFFFAOYSA-N 450.517 1.118 50 40 JDGB Cc1cccc(N(CC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)S(C)(=O)=O)c1 20060309 AMVWPUORAYQYRJ-UHFFFAOYSA-N 465.329 1.996 50 40 JDGB CCn1nc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2c1=O 24986493 SLUFHLOBZVVXQD-OAHLLOKOSA-N 499.593 1.842 50 40 JDGB C[C@H](O)[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)O 217485269 LBTSRSJNTNGWCF-GHSWZKNOSA-N 485.530 1.468 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)c1-c1cccs1 1871484 UEJBPFNFBKPHDC-DNTJNYDQSA-N 454.428 1.188 50 40 JDGB CN(Cc1c(C(=O)N/N=C/c2ccccc2C(=O)O)nnn1-c1nonc1N)C1CCCCC1 1881929 IOCFBERNEBRWIA-FOKLQQMPSA-N 467.490 1.459 50 40 JDGB COC(=O)C1=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(OC)cc1 2223910 SRKQWRGMYXJBBK-NURJGKTBSA-N 475.526 1.528 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1 9882997 GFYURWYTMFPVDX-UHFFFAOYSA-N 494.573 1.860 50 40 JDGB Cc1nn(C)c(C)c1CCC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 40023707 TXAUPFSQDVRULS-UHFFFAOYSA-N 469.567 1.909 50 40 JDGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408533522 JZVZYUTVQJDOFS-IBWOWSDQSA-N 453.499 1.880 50 40 JDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NCc3ccccc3)o2)cc1 408865152 BCCLRDUVFFRDRA-DICXZTSXSA-N 461.478 1.609 50 40 JDGB O=C(C[C@H]1SC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O)NNC(=O)c1ccncc1 15057059 CHWSQUPIQBNAHP-CQSZACIVSA-N 495.439 1.954 50 40 JDGB COCCCNC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408817211 ZYTJHPPOVKMZIG-GATIEOLUSA-N 498.323 1.444 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1 409150504 CFQQCURTXPHIBQ-FSJBWODESA-N 477.315 1.679 50 40 JDGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCCOC)cc2OC)cc1 409151560 HSNLURQMJDSJCJ-CVKSISIWSA-N 486.525 1.714 50 40 JDGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccc(Cl)cc2)c2ccccc21 2221439 VUKSNERQXMLVBX-QLYXXIJNSA-N 456.886 1.429 50 40 JDGB CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 408644107 DAGSGYOHVILNAG-UHFFFAOYSA-N 481.914 1.467 50 40 JDGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1OC 409129762 SKFWYFZQZLYLML-SRZZPIQSSA-N 453.448 1.896 50 40 JDGB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)COc1ccccc1F)n2C 9378317 YWFNXSCKLCKCEP-UHFFFAOYSA-N 477.518 1.122 50 40 JDGB Cn1c(=O)c2ncn(CC(=O)N/N=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2n(C)c1=O 16322999 SSWUFDYJEPKPQS-KBKYJPHKSA-N 468.558 1.885 50 40 JDGB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 102649928 YZZXCVUNZBWKGI-HZMAYWFUSA-N 466.284 1.916 50 40 JDGB COCCNC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408868384 OFSDOWJIYHXKDD-VROXFSQNSA-N 484.296 1.054 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1 409163398 QYFYDBPFLUQPIS-DHRITJCHSA-N 456.499 1.542 50 40 JDGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(=O)N1CCCC1 408775590 JAAPQDYTVYMXOH-JAIQZWGSSA-N 483.344 1.593 50 40 JDGB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NNC(=O)c1cc(Cl)ccc1OC 9457807 DEPQXAQJGGUZND-KRWDZBQOSA-N 451.932 1.886 50 40 JDGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3C[C@@H](O)C[C@@H]3C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70698202 ICVRXJQFTIXGAJ-SNYILGCTSA-N 497.541 1.564 50 40 JDGB CSCC[C@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 103050304 OFWVXUGPCJUTIZ-DAGKJQBESA-N 455.168 1.971 50 40 JDGB CCOC(=O)COc1ccc(/C=N/NC(=O)CSn2nnnc2-c2ccccc2)cc1OC 408731999 NXKMNZKGGWAVGY-WSDLNYQXSA-N 470.511 1.937 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1 409171290 ZNWCEHBKXLMHKP-BHGWPJFGSA-N 495.305 1.818 50 40 JDGB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NNC(=O)[C@@H]1COc2ccccc2O1 12680245 CJSVISXTUSGTQS-HNNXBMFYSA-N 454.508 1.783 50 40 JDGB COc1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCc3ccccc32)cc1O 33930755 RSQODVHMDOLWJT-ROTLSHHCSA-N 489.496 1.663 50 40 JDGB Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H](CCC(N)=O)NC(=O)c2ccc(Cl)cc2)c1 40159779 QCBVRHZGIXSXIJ-QGZVFWFLSA-N 460.918 1.547 50 40 JDGB Cc1ccc(C)c(N2C(=O)C(=O)[C@H](c3nc4ccccc4s3)/C(=N\NC(=O)NN)C2=O)c1 104277540 ZNYHPZWSURWMDY-DAWOQIAZSA-N 450.480 1.668 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1C 408610858 USULVJROWZVXEF-WYMPLXKRSA-N 491.342 1.988 50 40 JDGB COc1ccc(C(=O)N/N=c2/sc3ccccc3n2C)cc1S(=O)(=O)N1CCOCC1 3358504 NAADQWJJQNBXJJ-LSDHQDQOSA-N 462.553 1.515 50 40 JDGB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)CC1=O 32957603 ZHWXJOLOHCKHDB-AWEZNQCLSA-N 490.310 1.815 50 40 JDGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1F 409155504 QEKFKBSMCNCUMZ-LSFURLLWSA-N 451.252 1.802 50 40 JDGB Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cccc(Br)c1 12918931 JXMNOZZESDVGLM-UHFFFAOYSA-N 461.363 1.674 50 40 JDGB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)Cn2ccc(C(F)(F)F)n2)c1 17442269 YUPSGGWFCIFPKQ-UHFFFAOYSA-N 453.830 1.267 50 40 JDGB CC[C@H](C)[C@@H](NC(N)=O)C(=O)NNC(=O)CSc1nnc(Nc2cccc(OC)c2)s1 21021211 SUGGMWUXJNSKBO-IINYFYTJSA-N 467.577 1.613 50 40 JDGB Cc1cccc(OCC(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)c1 32971037 YANGHEDHJGTGAB-UHFFFAOYSA-N 460.556 1.686 50 40 JDGB O=C(COC(=O)CCC(=O)NC1CCCCC1)NNC(=O)c1ccc(Br)cc1 138558099 IIGGXKVOVVATCE-UHFFFAOYSA-N 454.321 1.982 50 40 JDGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(N/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)cc1 100922680 YAZCAPVGFKLPKI-UHWBUFEVSA-N 456.462 1.956 50 40 JDGB Cn1c2c(c(=O)n(C)c1=O)[C@]1(C(=O)N(Cc3ccc(F)cc3)c3ccccc31)C(C#N)=C(N)O2 104762721 STCLLMSGMABOMW-XMMPIXPASA-N 459.437 1.142 50 40 JDGB O=C(CCC(=O)OCC(=O)NNC(=O)c1ccccc1Cl)NNC(=O)c1ccc(Cl)cc1 408665694 VWSIQSRYNGXJBJ-UHFFFAOYSA-N 481.292 1.539 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1ccc(I)cc1 409027918 IPTKLBKSUBGWMV-VCHYOVAHSA-N 473.292 1.913 50 40 JDGB CN1C(=O)/C(=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c2ccccc21 409334318 WULRDBCCBUVLFS-HEHNFIMWSA-N 465.329 1.712 50 40 JDGB COc1cc(/C=N/NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1O 36542282 YCNWBFGHEHONKT-OEAKJJBVSA-N 476.555 1.174 50 40 JDGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)N/N=C/c1ccncc1 59498740 KKDCAERZYBHNLO-DJKKODMXSA-N 456.400 1.695 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1-c1ccc2c(c1)OCO2 2453506 NCYYJGMDFODYMI-QPJQQBGISA-N 497.815 1.954 50 40 JDGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCCC2)c1OC 9272419 NNOUOSINTDIUPV-FSJBWODESA-N 469.506 1.390 50 40 JDGB CCN1CCN(Cc2c(C(=O)N/N=C(\C)c3ccc(Cl)cc3)nnn2-c2nonc2N)CC1 22924255 RECOHVFPVDEJGO-YDZHTSKRSA-N 472.941 1.177 50 40 JDGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)c1 12545008 DRFVXLWEHLWGAX-UHFFFAOYSA-N 474.583 1.994 50 40 JDGB C[C@H](C(=O)N1CCOCC1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100800986 KPICJABWXCJXFK-MJIVVXSKSA-N 464.154 1.012 50 40 JDGB COc1ccccc1C(=O)NCCC(=O)NNC(=O)COc1cccc(Br)c1 9994352 CWBWPZOKPLIZAA-UHFFFAOYSA-N 450.289 1.804 50 40 JDGB CC(=O)OC[C@@H]1O[C@@H](Cl)[C@@H](OC(=O)C(Cl)(Cl)Cl)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 5004710 QLOCGZWRSGBAGP-KZZRWZIVSA-N 470.085 1.659 50 40 JDGB O=C(NNC(=O)c1ccc(OCC(F)(F)F)nc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 12852573 BQQZRTKCFKSPOH-UHFFFAOYSA-N 472.445 1.882 50 40 JDGB Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCCc3ccccc3)c(N3CCC(C(N)=O)CC3)nc12 27022915 NMIGNNABYHLPRW-PGMHBOJBSA-N 484.560 1.971 50 40 JDGB Cn1c(/C=N\NC(=O)c2ccc(C(=O)N/N=C\c3c[n+]4ccccc4n3C)cc2)c[n+]2ccccc12 31795144 GQZVBUYLQOEKEO-USYBVIFISA-P 480.532 1.369 50 40 JDGB NS(=O)(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 245230433 RKRMYXYNEHATGY-HKLHZYFVSA-N 478.162 1.616 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)c1cccc(Cl)c1Cl 408923776 MBLQRWFSSJUURH-LSFURLLWSA-N 473.338 1.774 50 40 JDGB O=C(N/N=C/c1cnn(-c2ccccc2)c1)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 9634237 XTRGPMNCVYAZBY-XILVHTRDSA-N 473.942 1.800 50 40 JDGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=C1C(=O)Nc2ccccc21 408942103 FRVHKYNZXGWUEC-FQEVSTJZSA-N 493.545 1.894 50 40 JDGB CCOc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 409149925 VUWKNMDQCIKAGU-CIAFOILYSA-N 451.501 1.540 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCC(=O)Nc1cccc(OC)c1 409164132 CVIFVHQUKAYKRT-AFUMVMLFSA-N 472.498 1.324 50 40 JDGB CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)c2)cc1 409271176 KFTPELWPQILTJI-ODDBZWQPSA-N 468.510 1.848 50 40 JDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 409152239 JLISXUGTXLTLKI-VULFUBBASA-N 470.526 1.932 50 40 JDGB Cn1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c2ccccc2c1=O 3420300 WHCITWPNFVFMSE-UHFFFAOYSA-N 495.492 1.948 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)c3cnn4c(C)cc(C)nc34)C2)cc1 23110279 SOUMMCMYPVVVRE-QGZVFWFLSA-N 470.555 1.516 50 40 JDGB CC(=O)Oc1ccc(/C(C)=N/NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 36006803 IZLYNHFIJOYYKF-HKOYGPOVSA-N 472.567 1.767 50 40 JDGB C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 58873676 OEFKKRPSJJMTGC-NTMAZONMSA-N 452.511 1.688 50 40 JDGB Cc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)CC1=O 408651799 FBVIILNOELBGEU-AWEZNQCLSA-N 472.885 1.146 50 40 JDGB CNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 409150802 DSVNAHFUVPMGDO-NUGSKGIGSA-N 481.278 1.810 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)N1CCOCC1 409167169 HLNFOFFSGWETAT-AFUMVMLFSA-N 468.510 1.638 50 40 JDGB CCn1c(SCC(=O)NNC(=O)Cn2nnc(-c3ccccc3)n2)nnc1-c1ccccc1C 9509034 NIWKNEGLEIIXJB-UHFFFAOYSA-N 477.554 1.867 50 40 JDGB COc1ccc(/C=N/NC(=O)C[C@H]2C(=O)NN=C3c4ccccc4N=CN32)c(C(=O)O)c1OC 14134919 BGOROOMIPFVKTE-CJEGQJQSSA-N 464.438 1.078 50 40 JDGB C[C@@H]1CCCCN1Cc1c(C(=O)N/N=C\c2ccc(N(C)C)cc2)nnn1-c1nonc1N 33923757 YSFNNVZVBIIIKD-GKGMIHAQSA-N 452.523 1.437 50 40 JDGB O=C(O)[C@@H](CSSC[C@@H](C(=O)O)N1C(=O)CSC1=S)[C@@H]1C(=O)CSC1=S 101175489 PZGFMVDBEHRHRC-ATVXKPNKSA-N 471.650 1.642 50 40 JDGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1[N+](=O)[O-] 408682971 MADHHOICJKDESK-XRWATXQWSA-N 484.292 1.851 50 40 JDGB N#CC1=C(N)n2c(s/c(=C\c3cccc([N+](=O)[O-])c3)c2=O)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 1762789 HRPMQURERTYCRG-JSAJWXMXSA-N 472.442 1.678 50 40 JDGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)S(C)(=O)=O 2176201 MSQJFZAEBHTXMZ-LSHDLFTRSA-N 468.919 1.129 50 40 JDGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 13148160 NDCYVHYCSVIULU-FKPDRRRYSA-N 482.002 1.828 50 40 JDGB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 16280089 PFGHTYUUJQSLFM-AWEZNQCLSA-N 479.518 1.547 50 40 JDGB CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)c(=O)[nH]1 169748271 RUKACXRBRJHKDV-XWXWGSFUSA-N 467.599 1.355 50 40 JDGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)N(CC)CC)o2)cc1 408867539 LLSBDVIGZBFVOQ-QFEZKATASA-N 485.497 1.030 50 40 JDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1 409169375 PUTPEQYSUXPAGI-VULFUBBASA-N 470.526 1.932 50 40 JDGB CC(=O)Nc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)cc1 2454312 RXABTTYIBXBNBW-WYMPLXKRSA-N 480.533 1.719 50 40 JDGB O=C(N/N=C1/C[C@H](N2C(=O)c3ccccc3C2=O)[C@@H]2CO[C@H]1O2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 5225350 FJURCDYCERCTFV-ZJVCMFOPSA-N 481.377 1.399 50 40 JDGB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)COc1cccc(Br)c1 13149162 QVXFLRKFAUOPFJ-LLVKDONJSA-N 474.308 1.481 50 40 JDGB COc1cc(C(=O)NCC(=O)N/N=C2\C(=O)N(C(C)C)c3ccccc32)cc(OC)c1OC 13774109 BURZOBCOOBBLMH-QOMWVZHYSA-N 454.483 1.718 50 40 JDGB COc1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)cc1O 39948779 UPSPBNFJCZOYEF-DMBOVMDOSA-N 455.479 1.085 50 40 JDGB Cc1ccc(C)c(OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc2cc(C)ccc2C)c1 97940353 LEDYKRKZHGMZEZ-UHFFFAOYSA-N 484.553 1.843 50 40 JDGB O=C(NCc1cccnc1)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408776823 ZRIAAZDTQQEYCS-WKIKZPBSSA-N 482.884 1.349 50 40 JDGB NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1 28213504 ORUDFQPRUAVSII-AFUMVMLFSA-N 467.507 1.291 50 40 JDGB CCOc1ccc(-c2c(C(=O)N/N=C/c3ccccc3C(=O)O)nnn2-c2nonc2N)cc1 1874152 NVGOONPHNLCSON-FOKLQQMPSA-N 462.426 1.760 50 40 JDGB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CS[C@@H]1CCCCO1)C(=O)NN 6075229 JGYLWJRNTLNAQJ-KZNAEPCWSA-N 466.604 1.857 50 40 JDGB N#C/C(=C\c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 9003860 DHJKXAXFYUSTGE-UKYUDJEDSA-N 468.466 1.836 50 40 JDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc(OC)c1O 9293511 WWYSGRNAAIMVBP-BHGWPJFGSA-N 493.484 1.356 50 40 JDGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccccc1OCC(N)=O 408973872 WCJIJRFOCIKWLR-JMJNUIHMSA-N 454.527 1.919 50 40 JDGB COC(=O)c1cc(Br)ccc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCO2 12873243 OQQOWHBURAHAFV-UHFFFAOYSA-N 457.258 1.588 50 40 JDGB C[C@H](NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O)c1ccccc1 408655073 CPPOXCWCEONPJE-PKYINEEHSA-N 453.322 1.873 50 40 JDGB COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CCCN1C(=O)c2ccccc2C1=O 9168829 LNVLKHNZARAJIX-UHFFFAOYSA-N 473.869 1.729 50 40 JDGB CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1 408667747 KJCXREBWWDSZNW-HNNXBMFYSA-N 487.896 1.874 50 40 JDGB COC(=O)C1=c2s/c(=C/c3ccccc3F)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1F 13739522 SFDWCWXTTXPWTE-WAFWZSCLSA-N 451.454 1.789 50 40 JDGB COC(=O)c1cc(OC)c(OC)cc1N/C=C1/C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 102675978 CHKIKPGPKUTIGG-BVTUPMQUSA-N 489.506 1.182 50 40 JDGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)NNC(=O)c1ccccc1 408657205 GUYRDSZZVRDAFB-SNHGZMDHSA-N 459.458 1.616 50 40 JDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c(OC)c1 409169870 SJCCQYPXZFUYFB-AFUMVMLFSA-N 456.499 1.624 50 40 JDGB O=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)NNC(=O)c1ccc2c(c1)OCO2 12611941 POFCAWMLOYXKCG-UHFFFAOYSA-N 459.402 1.564 50 40 JDGB COCc1cc(C)n(CC(=O)N/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(=O)c1C#N 15018843 IZQPPUSZVNLTGS-WYMPLXKRSA-N 468.470 1.070 50 40 JDGB COc1cccc(-c2c(C(=O)N/N=C/c3ccccc3OCC(=O)O)nnn2-c2nonc2N)c1 1874146 DPFVOWUKWBKDNY-AUEPDCJTSA-N 478.425 1.135 50 40 JDGB CCOC(=O)COc1ccc(/C=N/NC(=O)CSc2nnnn2-c2ccccc2)cc1OC 4156865 NUEHESYHLFTCJW-WSDLNYQXSA-N 470.511 1.855 50 40 JDGB C[C@H]1CN2CCO[Si](CCSCC[Si]34OCCN(CCO3)C[C@@H](C)O4)(OCC2)O1 195804459 FSCXLTOPNPBUCN-HDICACEKSA-N 464.733 1.132 50 40 JDGB O=C(COC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)NNC(=O)c1ccccc1Cl 408657171 GMPOQRVEAMBTRB-AWEZNQCLSA-N 485.880 1.733 50 40 JDGB COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OCC(N)=O 409272549 ZVGUXAOOAONXGM-ZBKNUEDVSA-N 498.233 1.836 50 40 JDGB CC(=O)Nc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2COc2ccc(F)cc2)cc1 2264570 YMXCXNUNKCUUSV-YSURURNPSA-N 479.432 1.673 50 40 JDGB Cc1cccc(OCCCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 9883405 BIDQOPJPAHJAHX-UHFFFAOYSA-N 461.540 1.636 50 40 JDGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1cccs1 15987750 XKGSGAYAKRLQFS-UNOMPAQXSA-N 471.402 1.967 50 40 JDGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408667554 UIJOVGZGTKLKAU-YFYRFGBOSA-N 475.929 1.700 50 40 JDGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc(CN2CCOCC2)cc1 408839637 BLSHJAPQLADDDT-YZSQISJMSA-N 466.538 1.520 50 40 JDGB O=C(N/N=C/c1cnn(-c2ccccc2)c1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 9634238 XTRGPMNCVYAZBY-IHSVQVTCSA-N 473.942 1.800 50 40 JDGB CCN(CC)c1nc(SCC(=O)NNS(=O)(=O)c2ccc(C)cc2)nc(N(CC)CC)n1 16957071 OHXNDAAQZGTXEH-UHFFFAOYSA-N 481.648 1.974 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)c1cc(Cl)ccc1Cl 409028277 KXUVDJOXFNBLRJ-LSFURLLWSA-N 473.338 1.774 50 40 JDGB O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)NNC(=O)c1ccccc1O 933535 CGPWDQQDPHAIIT-AWEZNQCLSA-N 454.508 1.834 50 40 JDGB CCn1c(SCC(=O)NNC(=O)Cn2nnc(-c3ccccc3)n2)nnc1-c1cccs1 9884224 SCGGZYOGYGWGKW-UHFFFAOYSA-N 469.556 1.620 50 40 JDGB COc1cc(/C=N/NC(=O)CSc2nnnn2-c2ccccc2)cc(OC)c1OC(C)=O 408976573 RNVVYSULIPXGMB-SRZZPIQSSA-N 456.484 1.847 50 40 JDGB CCn1nc(C)c(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)c1C 2325395 CDLCMEBVALLRRH-ZVBGSRNCSA-N 465.434 1.405 50 40 JDGB COc1ccc(C(=O)NNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c(OC)c1 17399224 CMASMRHJNGMJCG-INIZCTEOSA-N 461.540 1.874 50 40 JDGB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408677399 BVNNACBLWIOFEA-YTKNBERCSA-N 452.257 1.526 50 40 JDGB O=C(Cc1nnc(NC(=O)C(Cl)Cl)s1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 408732272 SZRRINFDQOKKQI-HAVNEIBRSA-N 461.243 1.610 50 40 JDGB COc1cc(/C=C2/SC(=S)N(CC(=O)NNC(=O)c3ccncc3)C2=O)cc(OC)c1OC 8766081 SEMDUPMSZUDKBD-MHWRWJLKSA-N 488.547 1.770 50 40 JDGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCc3ccccc3)c(N3CCC(C(N)=O)CC3)nc12 9291774 NMIGNNABYHLPRW-LTGZKZEYSA-N 484.560 1.971 50 40 JDGB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 12800430 GEEANLATWMUBGZ-HNNXBMFYSA-N 498.030 1.946 50 40 JDGB Cc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 12734618 SCFJMLSALHTYTH-UHFFFAOYSA-N 475.390 1.982 50 40 JDGB O=C(NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1csc(N2CCOCC2)n1 15518899 JFRVDWZDLYOVRZ-UHFFFAOYSA-N 452.436 1.502 50 40 JDGB CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)n(C)c1 18103683 RSYGJIXHZPYRQX-MRXNPFEDSA-N 450.561 1.901 50 40 JDGB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 408687852 VGTLWENGOWFWLD-HZMAYWFUSA-N 451.273 1.698 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2c(Cl)cccc2Cl)c1CN1CCOCC1 15162540 SSTDKZNAMUJFCJ-ODCIPOBUSA-N 466.289 1.135 50 40 JDGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(OCC)c1 409267774 XNNUQPCFKDLTRG-WGOQTCKBSA-N 498.536 1.810 50 40 JDGB CN([C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1=O)[C@H]1CCc2c(Br)cccc21 2087175595 YGSKMJZEYGWTQQ-PMACEKPBSA-N 471.160 1.879 50 40 JDGB N#C/C(=C\c1ccc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)cc1)c1nn(CCO)c(N)c1C#N 13124297 SLDWQWCWXOAYKY-BUOZRGFLSA-N 480.492 1.100 50 40 JDGB O=C(NNC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 23110339 LIYIGEBCJKZJPB-HXUWFJFHSA-N 494.577 1.633 50 40 JDGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CN(C)C 2264278 ADDSFOIMAQDBNU-LSFURLLWSA-N 469.897 1.206 50 40 JDGB COc1ccc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1S(=O)(=O)N1CCOCC1 12899036 IGZITVWVHNSICD-UHFFFAOYSA-N 477.539 1.173 50 40 JDGB CCn1c(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)nc2cc(S(N)(=O)=O)ccc21 9219551 USZZWVHEZMGZMX-UHFFFAOYSA-N 497.986 1.676 50 40 JDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1)NC[C@@H]1CCCO1 58873721 GEKPJNWQSUGOQN-NQLRXCNRSA-N 452.511 1.170 50 40 JDGB COCCCNC(=O)/C(C#N)=C/c1cc(I)c(OCC(=O)O)c(OC)c1 408807865 PBCHMKDGVJHKGX-WUXMJOGZSA-N 474.251 1.823 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)c1cccc2ccccc12 408874524 DCTSYRLSUYLSQL-ZMOGYAJESA-N 454.508 1.620 50 40 JDGB CC1(C)O[C@H]2[C@@H](NC(=O)N(CCCl)N=O)O[C@H](COC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2O1 5374518 YASNUXZKZNVXIS-TUVASFSCSA-N 472.838 1.928 50 40 JDGB in-man COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Cl)cc1 20899464 BSEZRQIZJCOFKO-INIZCTEOSA-N 467.931 1.343 50 40 JDGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(C)(=O)=O)c1 28213325 WFJFKRJZWCQPLQ-YDZHTSKRSA-N 476.555 1.515 50 40 JDGB O=C(N/N=C1/C[C@@H](N2C(=O)c3ccccc3C2=O)[C@H]2CO[C@H]1O2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 225122261 FJURCDYCERCTFV-BOZKUMTISA-N 481.377 1.399 50 40 JDGB biogenic CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccccn1 408954857 ZVTQUWODQJJAGF-HXUWFJFHSA-N 453.524 1.967 50 40 JDGB CCc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(C)(=O)=O)cc1 409024211 BRQHSHDAQZVJGX-HZHRSRAPSA-N 489.554 1.910 50 40 JDGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccncc1 1529545130 YCAWOGMUVYNLOA-VWXZLZIGSA-N 453.524 1.967 50 40 JDGB Cc1cccc(N2N=C(C(=O)NNC(=O)c3sc(N4CCOCC4)nc3C)CCC2=O)c1 9884954 ZFQZMUQNGSVWMB-UHFFFAOYSA-N 456.528 1.541 50 40 JDGB COc1ccc(C(=O)NNC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1OC 9439395 ATGKVHGAOLEKMM-UHFFFAOYSA-N 483.308 1.318 50 40 JDGB COC(=O)C1=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@@H](c2ccc(F)cc2)C(C#N)=C1N 20459019 XCTFBNJNEQYOJN-YZILGEIOSA-N 451.454 1.680 50 40 JDGB Cc1cc(C)n2ncc(C(=O)NNC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)c2n1 23110361 VWWBXLQIJYNXBK-UHFFFAOYSA-N 453.480 1.988 50 40 JDGB CCCn1c(=O)n(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)c2ccccc21 32194457 QMXVNKSCLMAXFG-UHFFFAOYSA-N 487.582 1.705 50 40 JDGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408650823 ACDXVOYNUKIZQP-BHHKEHIISA-N 473.913 1.476 50 40 JDGB COc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)c(OC)c1 408658450 KWMLJYIMSISHPZ-CQSZACIVSA-N 475.885 1.715 50 40 JDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NCc3cccnc3)o2)cc1 408873167 NXQJYZNEJNSFOY-VYYCAZPPSA-N 462.466 1.004 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)ccc1OCc1ccccc1 409157710 VOMHRINJNGXEBM-YZSQISJMSA-N 454.527 1.563 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)N1CCOCC1 409175859 VZYCKILNCFEUTK-MFKUBSTISA-N 468.510 1.720 50 40 JDGB Cc1ccc(CN2C[C@@H](C(=O)NNC(=O)c3sc(N4CCOCC4)nc3C)CC2=O)cc1 9721724 LLUZXBVAXIKRTH-KRWDZBQOSA-N 457.556 1.406 50 40 JDGB O=C(Cc1ccc2ccccc2c1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 12783920 OJHVCQLHDNBTEM-UHFFFAOYSA-N 453.520 1.864 50 40 JDGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(OC)c1 20210773 NIRBGHZXIBPHLR-HYARGMPZSA-N 463.512 1.781 50 40 JDGB Nc1ccc(S(=O)(=O)NCCSSCCNS(=O)(=O)c2ccc(N)cc2)cc1 1585835 BZLNVVPROHZNJT-UHFFFAOYSA-N 462.644 1.489 50 40 JDGB COc1cc(C(=O)NNC(=O)COc2ccc(Cl)cc2)ccc1OCC(=O)N1CCOCC1 15891150 OSENWXXXVPCFGI-UHFFFAOYSA-N 477.901 1.426 50 40 JDGB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 72283161 WBEIEZBGPBPKJL-CYBMUJFWSA-N 457.512 1.183 50 40 JDGB COC(=O)C1=NC(=O)C(C#N)=C(C(=O)OC)[C@@]1(C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 1588963 WDZVMEMSXDJXKZ-VWLOTQADSA-N 476.441 1.972 50 40 JDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc(OC)c1OC(C)=O 2370523 JRBOSZURFQYAPR-ODCIPOBUSA-N 458.435 1.062 50 40 JDGB N#C/C(=C\c1ccc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc1)c1nn(CCO)c(N)c1C#N 8442622 SLDWQWCWXOAYKY-BEQMOXJMSA-N 480.492 1.100 50 40 JDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)c(OC)c1OC 9109430 IPDHAAHTLKSLEG-BHGWPJFGSA-N 478.469 1.998 50 40 JDGB C[C@H](Oc1ccc(Br)cc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 12851329 VFWGJRICSKTQCC-LBPRGKRZSA-N 470.345 1.928 50 40 JDGB CCn1nc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@@H](C)[C@@H]3C)C2)c2ccccc2c1=O 12880875 OYSMRYFNZHRCFT-YYAJDYIMSA-N 453.543 1.851 50 40 JDGB O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NNC(=S)NC[C@H]1CCCO1 15899701 RDAWEMMSGDVQOB-GFCCVEGCSA-N 454.496 1.048 50 40 JDGB CC(C)[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408650830 ACDXVOYNUKIZQP-HLQCWHFUSA-N 473.913 1.476 50 40 JDGB O=C1CSC(=S)[C@H]1[C@@H](CSSC[C@@H](C(=O)O)N1C(=O)CSC1=S)C(=O)O 28294989 PZGFMVDBEHRHRC-JHEQGTHGSA-N 471.650 1.642 50 40 JDGB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)NNC(=O)c1ccc(Cl)cc1 138787294 CXHBCVILQUTCCV-ZDUSSCGKSA-N 493.303 1.491 50 40 JDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NCc3ccccn3)o2)cc1C 408881628 JRBAOYGESIBYJY-MUXKCCDJSA-N 476.493 1.313 50 40 JDGB N#C/C(=C/c1cc(I)cc(Br)c1OCC(=O)O)C(=O)NC(N)=O 409245843 ZTEQKIDUYXWBIQ-XFSBKJJWSA-N 494.039 1.619 50 40 JDGB Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CNc2ccccc2C(N)=O)s1 2448545 ADNYLHROQPKRLT-LIMNOBDPSA-N 466.487 1.077 50 40 JDGB C=CCc1cccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1O 35078702 OPSZCEMAOYHKPP-JLPGSUDCSA-N 456.568 1.886 50 40 JDGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)c1 408775558 ILZSVQGFPFHPPB-CIAFOILYSA-N 451.501 1.637 50 40 JDGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)cc2OC)cc1 409256042 JGFBDKBBOQQZIU-JMJNUIHMSA-N 484.509 1.467 50 40 JDGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 32999510 MOIBQTRPMJAMFQ-ZDUSSCGKSA-N 471.532 1.066 50 40 JDGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408666821 STHBPNQLVZEILJ-OELWXQPESA-N 492.326 1.173 50 40 JDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1 409160857 XMYBZNWNTAICAF-LSFURLLWSA-N 451.252 1.802 50 40 JDGB NC(=O)c1ccccc1NCc1c(C(=O)N/N=C/c2ccc(Cl)cc2)nnn1-c1nonc1N 9309081 COJRXGRWXOAEFW-YCPBAFNGSA-N 480.876 1.361 50 40 JDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)c1 13131205 IDDGJLUTRJPTNV-GOSISDBHSA-N 495.989 1.931 50 40 JDGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc3c(s2)CCC3)cc1 14242252 WUKFVOONJOEELY-UHFFFAOYSA-N 450.542 1.277 50 40 JDGB COc1ccc(C(=O)NCC(=O)N/N=C/c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 100038483 MNEXCRNLQBJFGA-DNTJNYDQSA-N 476.358 1.309 50 40 JDGB O=C(NP(=O)(N1CC1)N1CC1)OCCCCCCOC(=O)NP(=O)(N1CC1)N1CC1 100483169 ALONFEAOLJCDRM-UHFFFAOYSA-N 464.400 1.478 50 40 JDGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(=O)N1CCCCC1 408768133 TZKFFGKGJDNVOJ-MTJSOVHGSA-N 497.371 1.983 50 40 JDGB Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NNC(=O)[C@H]1C(=O)Nc3ccccc3C1=O)O2 1641456886 TYJOVQITZLQEKB-OSPHWJPCSA-N 451.479 2.000 50 40 JDGB COc1ccc(/C(C)=N\NC(=O)c2nnn(-c3nonc3N)c2COc2ccccc2)cc1OC 13713217 KJMYWSKUZIKJLY-CFRMEGHHSA-N 478.469 1.983 50 40 JDGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1OC 16196067 IKALDJIPBLNKGF-SRZZPIQSSA-N 453.448 1.896 50 40 JDGB CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)c1C 21894573 BYEQAAOZBIITPV-UHFFFAOYSA-N 464.544 1.914 50 40 JDGB CCn1c(NNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)nc2ccccc2c1=O 11375076 OWECSLAPHQMYLG-GOSISDBHSA-N 499.549 1.484 50 40 JDGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](CC(=O)O)C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 100781728 QKRDRBZKADKVFA-ITMIQDEGSA-N 499.513 1.562 50 40 JDGB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1 408678064 CMJIKCXHGDXFIE-QPOISQFYSA-N 454.273 1.757 50 40 JDGB N#CC1=C(S)N([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C(c2ccccc2)=C[C@@H]1c1ccccc1 5536927 LVMVPMRIRRYZFF-KYIFSBMGSA-N 452.532 1.592 50 40 JDGB CCCCn1c(=O)c(CCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)nc2ccccc21 9509406 IQDVYYZWZABGOL-UHFFFAOYSA-N 474.521 1.837 50 40 JDGB COc1ccc(/C(C)=N/OCC(=O)N/N=C2\C(=O)N(CN(C)C)c3ccccc32)cc1OC 13618394 XKZAQMXFPSDHAP-XEDGUOHGSA-N 453.499 1.831 50 40 JDGB O=C1[C@H]2[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H]2C(=O)N1N[C@H]1CC[C@@H]([N+](=O)[O-])C[C@H]1[N+](=O)[O-] 104159877 XSAMGEPLRIMHQZ-OQPGPFOOSA-N 478.116 1.379 50 40 JDGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408667548 UIJOVGZGTKLKAU-CJBAZIHXSA-N 475.929 1.700 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c(OC)c1 111495623 CCRDCHSABGMUBS-DXYYLMHNSA-N 487.425 1.526 50 40 JDGB CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OCCCCCCCl 245225891 YMILTQQBIHTPST-UJMXGEILSA-N 465.927 1.458 50 40 JDGB COCc1cc(C)n(CC(=O)N/N=C\c2ccc(OCC(=O)OC(C)C)c(OC)c2)c(=O)c1C#N 408601853 LRAVVNCEIGUTLH-RAWMCFOBSA-N 484.509 1.664 50 40 JDGB Cc1[nH]c(=O)[nH]c(=O)c1/C=N/NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 2233567 MGDMCZJTCUKKDW-PKOLSWDWSA-N 454.487 1.439 50 40 JDGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)N3CCCCC3)NC(=O)[C@H]2C(=O)OC)cc1 409313304 PEPCYSGMBKJLQL-OALUTQOASA-N 471.535 1.957 50 40 JDGB CCOc1cccc(-c2c(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)nnn2-c2nonc2N)c1 1877098 RORAHZOPCQKGLD-SSDVNMTOSA-N 463.414 1.970 50 40 JDGB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)NNC(=O)c1ccc(Cl)cc1 138633889 LHDRBZGBDOCIQN-CYBMUJFWSA-N 460.830 1.606 50 40 JDGB C[C@@H](C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(c1ccccc1)S(C)(=O)=O 408905883 ANKAPRKGEYCHMW-PZBNQXIHSA-N 475.527 1.736 50 40 JDGB CCOC(=O)C1=c2s/c(=C/c3ccccc3OC)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1OC 8934382 DXLHDILGGZRHFL-NNVROAHOSA-N 489.553 1.918 50 40 JDGB COc1ccc(/C=N/OCC(=O)N/N=C2\C(=O)N(CN3CCN(C)CC3)c3ccccc32)cc1 85945170 JAUJEHYFOHHPPR-GSGFKCGZSA-N 464.526 1.118 50 40 JDGB CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1 408667748 KJCXREBWWDSZNW-OAHLLOKOSA-N 487.896 1.874 50 40 JDGB COc1ccc(/C(C)=N\OCC(=O)N/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)cc1OC 13763653 PPRDPZUGZQQLPS-FXKONPJNSA-N 495.536 1.601 50 40 JDGB C=CCN1C(=O)/C(=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 100725121 BPPUBTGIJSPXKG-LHLOQNFPSA-N 452.467 1.495 50 40 JDGB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 15427081 QSRLAFBOTMYMGE-GOSISDBHSA-N 467.507 1.752 50 40 JDGB COC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 59503030 MMPQYULTRJTJNH-IKMPRTQCSA-N 463.512 1.552 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C)c1ccc2ccccc2c1 9331606 UWDDJMNHALDTJQ-WYMPLXKRSA-N 489.525 1.961 50 40 JDGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 28213450 WNGORDJFXHUUDU-FSJBWODESA-N 464.519 1.645 50 40 JDGB COc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c(OC)c1 408685046 OKTLHJRTMUTTNF-NKFXAPPTSA-N 454.273 1.757 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C2\C(=O)Nc3ccccc32)c1CN1CCCc2ccccc21 2387918 QARBCMONGCWBIM-UHFFFAOYSA-N 484.480 1.272 50 40 JDGB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NNC(=O)c2n[nH]c(=O)c3ccccc23)c1 9127730 MMJKKPQPQOIVOB-UHFFFAOYSA-N 488.595 1.893 50 40 JDGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CNC(=O)c3ccccc3)c2)cc1 12520936 HJAJPMYAWRCBNT-UHFFFAOYSA-N 482.518 1.687 50 40 JDGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc4c(c3)OCO4)CC2)cc1OC 408970232 DCHCTCGYUHSHGU-YDZHTSKRSA-N 475.523 1.984 50 40 JDGB COc1cc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCCN1CCOCC1 658579 CQAMNIXNQZPGGB-URXFXBBRSA-N 474.565 1.761 50 40 JDGB CC1(C)O[C@@H]2[C@H](COC(=O)c3ccc([N+](=O)[O-])cc3)O[C@H](NC(=O)N(CCCl)N=O)[C@@H]2O1 5374509 YASNUXZKZNVXIS-YJNKXOJESA-N 472.838 1.928 50 40 JDGB biogenic,in-man C/C(N)=C(/C#N)C(=O)COC(=O)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 11306855 CQNORSAIAVSECJ-VQHVLOKHSA-N 485.143 1.903 50 40 JDGB C/C(=N\NC(=O)c1c(CN2CCCC2)nnn1-c1nonc1N)c1ccc(Br)cc1 25782435 RAYRSMLGBHRXEE-SRZZPIQSSA-N 474.323 1.745 50 40 JDGB CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(O)cc3O)nnn2-c2nonc2N)cc1 1739679 ICYBCDGXABWVNT-LSHDLFTRSA-N 450.415 1.473 50 40 JDGB CCCc1c(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)nnn1-c1nonc1N 2451371 YPAXQJNOSWTYPY-UHFFFAOYSA-N 460.252 1.034 50 40 JDGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 48324335 QLRIWCNOCVCPTM-OAHLLOKOSA-N 478.546 1.905 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)ccc1OCC(=O)N1CCOCC1 409259717 DECDEBLXISLWKC-WGOQTCKBSA-N 482.537 1.974 50 40 JDGB CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc(OC)c(O)c3)nnn2-c2nonc2N)c1 1900994 WSBOQMALIDZHHB-FOKLQQMPSA-N 464.442 1.776 50 40 JDGB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)c2cc3c(s2)CCC3)C1 17446208 OUGTXUZHGMUHPB-AWEZNQCLSA-N 452.558 1.704 50 40 JDGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(CCN1CCOCC1)c1ccccc12 13629721 RRTNAUAJHDOTJO-AREMUKBSSA-N 470.485 1.844 50 40 JDGB C[C@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100833855 RGFIBPKBUNYJOT-JCIWJHOISA-N 478.181 1.448 50 40 JDGB COc1ccc(C(=O)NNC(=O)c2cccc(C(=O)NNC(=O)c3ccc(OC)cc3)c2)cc1 101930649 COERULPPNOZAGA-UHFFFAOYSA-N 462.462 1.853 50 40 JDGB C[C@H]1CN2C[C@@H](C)O[Si](CC[Si]34O[C@@H](C)CN(C[C@@H](C)O3)C[C@@H](C)O4)(O1)O[C@H](C)C2 263610450 WDOAPTXXCFTTKA-FFDFYAMSSA-N 460.720 1.953 50 40 JDGB Cc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O 408661950 WMFQKVJMJISGBM-OAHLLOKOSA-N 472.885 1.146 50 40 JDGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)N2CCCCC2)o1)C(=O)Nc1cccc(Cl)c1 408783413 OTNRVOIPDIAFGS-CFRMEGHHSA-N 459.890 1.651 50 40 JDGB CNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cccc(C)c2)c(OC)c1 409168246 LWQRPTKCESFKMC-AUEPDCJTSA-N 477.315 1.980 50 40 JDGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCOCC2)cc1 409265406 SHIDSCUNVCQXJE-JVWAILMASA-N 466.538 1.814 50 40 JDGB CN1C(=O)/C(=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c2ccccc21 409348566 OTLAFFRTPHMPSX-HEHNFIMWSA-N 465.329 1.712 50 40 JDGB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)NNC(=O)CN1CCCc2ccccc21 9581183 QPOBEUBXYVZZEA-UHFFFAOYSA-N 455.540 1.106 50 40 JDGB O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(C(F)(F)F)c1 12946607 NIYAXSHKKZTZMQ-UHFFFAOYSA-N 457.430 1.801 50 40 JDGB COc1cc(/C=N/NC(=O)Cn2nnnc2N)ccc1OC(=O)c1cc(F)c(F)cc1Cl 16196073 JYNIFYVEETZAAE-HCGXMYGOSA-N 465.804 1.565 50 40 JDGB O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCOCC1)NNC(=O)c1ccc(F)cc1 21554840 ZXBBHDHJZIRBJW-UHFFFAOYSA-N 499.568 1.811 50 40 JDGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)S(C)(=O)=O 28213480 ANRUAYLNXJAFMS-LSHDLFTRSA-N 452.920 1.429 50 40 JDGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 58881596 UMAFEEPYXIJWKV-ORBAKXMTSA-N 454.483 1.458 50 40 JDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)cc(OC)c1O 1845856 ADRVDTIVFVYAHN-AUEPDCJTSA-N 464.442 1.695 50 40 JDGB CCOC(=O)C1=C2SC(C(=O)OC)=CC(=O)N2C(N)=C(C#N)[C@@H]1c1ccc(OC)cc1OC 3771933 OUKGKVUHNXCODF-KRWDZBQOSA-N 471.491 1.902 50 40 JDGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](CO)C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70697382 FUBBKKUQLPZKIW-CCNOIFPWSA-N 471.503 1.080 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)c2cc(S(=O)(=O)NCCC(=O)NN(C)C)c(C)cc2C)cc1 95117021 OBAXVWORQXZPNG-UHFFFAOYSA-N 482.628 1.698 50 40 JDGB COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)c1 408664504 QPWZNMFAEQTLSE-AWEZNQCLSA-N 475.885 1.715 50 40 JDGB COC(=O)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSC2=NCCS2)cc1 9318407 NXXYMMQIWFLEER-ODCIPOBUSA-N 487.527 1.119 50 40 JDGB Cc1ccc(C)c(NC(=O)CC/C(=N\NC(=O)C(=O)NN)[C@@H](C)C(=O)c2ccc(O)cc2)c1 17188817 CMVWJAMYCPIRQE-UZBQJPDOSA-N 453.499 1.709 50 40 JDGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC 20211339 NPCLBXMAQQLXMT-RGVLZGJSSA-N 466.472 1.537 50 40 JDGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(C)(=O)=O)cc1 28213380 AHNZEPSQASAXAO-ZVHZXABRSA-N 490.582 1.905 50 40 JDGB C[C@H](O)[C@@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)O 217485181 LBTSRSJNTNGWCF-FLODLMALSA-N 485.530 1.468 50 40 JDGB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NNC(=O)Cn1nnc(-c2ccccc2)n1 9390723 XSMNCLUVSKDCCS-UHFFFAOYSA-N 471.477 1.710 50 40 JDGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(C)(=O)=O)cc1OC 408786671 LYNLYQSZEPOBLJ-CIAFOILYSA-N 451.501 1.637 50 40 JDGB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)NNC(=O)c1ccccc1 408651755 DTGVASQYAKIWJG-CQSZACIVSA-N 460.284 1.806 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCC(=O)Nc1ccc(C)cc1 409151140 AGSBUSZGYUFLNA-AFUMVMLFSA-N 456.499 1.624 50 40 JDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2COc2ccccc2)cc1OC 2254217 UGJMRVOICKLDFD-FOKLQQMPSA-N 464.442 1.593 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(I)cc2)cc1 9634914 QPQLTASESPCHJE-UHFFFAOYSA-N 487.319 1.681 50 40 JDGB Cc1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)nn1-c1ccc(Cl)cc1 12855094 FTUKPLAXWXFKNS-UHFFFAOYSA-N 462.919 1.554 50 40 JDGB CCN1C(=O)/C(=N\NC(=O)CCCC(=O)N/N=C2\C(=O)N(CC)c3ccccc32)c2ccccc21 100192457 HWBIVDYUHYXCNW-UNVYMFJTSA-N 474.521 1.931 50 40 JDGB O=C(COC(=O)CCCC(=O)NNC(=O)c1ccccc1Cl)NNC(=O)c1ccccc1 408644060 CUKYXRQFQBLESS-UHFFFAOYSA-N 460.874 1.276 50 40 JDGB C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C\C)C[C@](O)(CCl)[C@@H]1[C@H](OC(C)=O)C=C(C)[C@]21O 4098075 WVTMFOWXYVFVDE-UPVVJIFBSA-N 454.903 1.575 50 40 JDGB biogenic,in-vitro COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)NNC(=O)C(=O)NC2CC2)cc1 10215939 ACXROMHDTOQDKT-NRFANRHFSA-N 477.521 1.579 50 40 JDGB COc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)cc1[N+](=O)[O-] 33784548 XGUZAMMVPJINQP-JAIQZWGSSA-N 450.473 1.691 50 40 JDGB CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)[C@H](C(=O)OC)C(=O)N1 409336755 UPMYNZWAGUADIA-ROUUACIJSA-N 459.524 1.813 50 40 JDGB COc1ccc(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(C)(=O)=O)c(OC)c1 20210831 ULXDNAUHOYPQBJ-WSDLNYQXSA-N 481.527 1.646 50 40 JDGB CCCc1c(C(=O)N/N=C/c2cc(Br)c(O)c(OCC)c2)nnn1-c1nonc1N 1817614 SNCOQRMTUSOPGD-DNTJNYDQSA-N 479.295 1.816 50 40 JDGB N#C/C(=C\c1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O)C(=O)NCc1ccccc1 2204438 SLWJPCYTFZQTFW-XMHGGMMESA-N 456.506 1.620 50 40 JDGB Cn1cnnc1SCc1c(C(=O)N/N=C/c2c(Cl)cccc2Cl)nnn1-c1nonc1N 13804297 WNAISYRFGVPUNE-DENHBWNVSA-N 494.328 1.724 50 40 JDGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cc3c(cc2Br)OCO3)CC1 15223200 MTTRDCZYKLWIDG-FSJBWODESA-N 489.326 1.985 50 40 JDGB COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 408677404 BVNNACBLWIOFEA-ZZIDHEKVSA-N 452.257 1.526 50 40 JDGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)cc1 408808673 QSVKQAICSKOJIU-QFEZKATASA-N 463.450 1.632 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1-c1ccc([N+](=O)[O-])cc1 2188324 ZVJDZRCGYCIBDM-AWQFTUOYSA-N 464.358 1.480 50 40 JDGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)c(OC)c1OC 19859283 QSEBPNZVNVMVLX-HXUWFJFHSA-N 482.537 1.733 50 40 JDGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](CO)C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70697388 FUBBKKUQLPZKIW-IQQCVISESA-N 471.503 1.080 50 40 JDGB Cc1nnn(C23C[C@H]4C[C@@H](CC(C(=O)NN[C@@H]5CC(=O)N(c6cccc(C)c6C)C5=O)(C4)C2)C3)n1 102437071 BCMSYQAJNURIKK-KNABUGHNSA-N 477.569 1.847 50 40 JDGB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)NNC(=O)c1ccccc1Cl 408661945 WMFOHODRTONCEV-LBPRGKRZSA-N 493.303 1.491 50 40 JDGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCCOC)cc2OC)cc1 9833666 PDDKHKZGGSZTTE-CVKSISIWSA-N 470.526 1.878 50 40 JDGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3C[C@H](O)C[C@@H]3C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70698197 ICVRXJQFTIXGAJ-RBHHAWRLSA-N 497.541 1.564 50 40 JDGB CC(C)n1nc(C(=O)NNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c2ccccc2c1=O 12800742 SLKYNSMWJJEVIQ-UHFFFAOYSA-N 469.523 1.493 50 40 JDGB C[C@H](NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 58873679 OEFKKRPSJJMTGC-JDJDKPJZSA-N 452.511 1.688 50 40 JDGB COCc1cc(C)n(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(=O)c1C#N 408996606 JCVIFUKURCKWGZ-WYMPLXKRSA-N 468.470 1.070 50 40 JDGB Cc1[nH]c2ccc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2c1C 36331952 CNGHKIDWURMITC-UHFFFAOYSA-N 469.567 1.796 50 40 JDGB COc1c(O)ccc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1[N+](=O)[O-] 408720854 FXPGXZLSTAKFJE-ODCIPOBUSA-N 452.387 1.441 50 40 JDGB COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3Cl)C2=O)c1 2264829 BCDXBCGUBBKVCG-MRXNPFEDSA-N 459.842 1.480 50 40 JDGB O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 29549130 PTOGVFYPRYXDCO-OAHLLOKOSA-N 455.492 1.069 50 40 JDGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3C[C@H](O)C[C@@H]3C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 72332903 ICVRXJQFTIXGAJ-SEAFEWLKSA-N 497.541 1.564 50 40 JDGB CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)nnn2-c2nonc2N)cc1 2396635 PTVMSJCQUKLMSP-SSDVNMTOSA-N 463.414 1.970 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)c3cnn4c(C)cc(C)nc34)C2)cc1 23110281 SOUMMCMYPVVVRE-KRWDZBQOSA-N 470.555 1.516 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCC(=O)Nc1ccc(F)cc1 409152415 IYGLKJCCBXJHFS-DHRITJCHSA-N 460.462 1.455 50 40 JDGB C=CCN1/C(=N\C=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)S[C@H]2CS(=O)(=O)C[C@@H]21 36597448 OFLMKAIZSDCAEC-JBJYZMQZSA-N 490.607 1.526 50 40 JDGB O=C(NCc1ccncc1)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408773331 UWEHSPIEKYAOBL-MSXFZWOLSA-N 475.914 1.573 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cccc(OC)c2O)c(OC)c1 408922955 HZDXITIOBGRHKQ-YIQTUUEOSA-N 498.492 1.739 50 40 JDGB O=C(NNS(=O)(=O)c1ccc2c(c1)OCCO2)c1nn(Cc2ccccc2)c(=O)c2ccccc12 12787586 UNUFPRLEWHEEPM-UHFFFAOYSA-N 492.513 1.839 50 40 JDGB CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(O)c(OC)c3)nnn2-c2nonc2N)cc1 2409517 JEKCAJPWCCVSGV-FOKLQQMPSA-N 464.442 1.776 50 40 JDGB CCOC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@@H](N)CCC(=O)O 4773985 NYHRFWFTQJDHSE-IRXDYDNUSA-N 462.374 1.753 50 40 JDGB O=C(NN=C1CCCC1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 19953454 CJIYIVBESQXOAO-OAQYLSRUSA-N 490.607 1.797 50 40 JDGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)NCc3ccccn3)o2)cc1 408776984 SWGMGJYXKGGJPC-CFRMEGHHSA-N 455.496 1.228 50 40 JDGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(O)cc2O)c(OC)c1 408952504 KNNFSIXWULDTOC-JRASGKOJSA-N 498.492 1.827 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)N1CCOCC1 409169088 OPGQURHIQIYTGN-MFKUBSTISA-N 468.510 1.720 50 40 JDGB CCn1nc(C(=O)NNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c2ccccc2c1=O 17190828 MZFDKVSPJZITAE-UHFFFAOYSA-N 460.494 1.594 50 40 JDGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(C)(=O)=O)cc1 28215042 YTQGCZBPOVMRCS-ZZQPOVDQSA-N 490.582 1.903 50 40 JDGB C[C@H]1CCCCN1Cc1c(C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)nnn1-c1nonc1N 39948769 SNXVBKPEVWMLRK-INEXWVMZSA-N 454.451 1.279 50 40 JDGB COc1ccc2c(c1)/C(=N/NC(=O)CCCC(=O)N/N=C1/C(=O)Nc3ccc(OC)cc31)C(=O)N2 18227721 APPAVFIOAXEPNY-UHFFFAOYSA-N 478.465 1.119 50 40 JDGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2F)c1 409156242 NEGMCHQXPWOUPO-LSFURLLWSA-N 451.252 1.802 50 40 JDGB COc1cc(C(=O)NCC(=O)N/N=C2\C(=O)N(CCC#N)c3ccccc32)cc(OC)c1OC 2411751 KFNVCFZCYDXXAK-OOAXWGSJSA-N 465.466 1.223 50 40 JDGB Cc1ccccc1OCC(=O)NCC(=O)N/N=C/c1ccc(OCC(=O)O)c(Br)c1 9305738 QIXLOUPAODOYAF-NUGSKGIGSA-N 478.299 1.866 50 40 JDGB Cn1cnnc1SCc1c(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)nnn1-c1nonc1N 9308395 SSBNHRVYZSFPOX-GEVRCRHISA-N 493.435 1.436 50 40 JDGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)CC2=O)cc1 9378018 ITNZLDIOZJJCDU-KRWDZBQOSA-N 458.540 1.124 50 40 JDGB Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NNC(=O)[C@@H]1C(=O)Nc3ccccc3C1=O)O2 1641456874 TYJOVQITZLQEKB-BXKMTCNYSA-N 451.479 2.000 50 40 JDGB O=C(NNS(=O)(=O)c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1406888 ANPXPGLMVMKGPB-UHFFFAOYSA-N 475.951 1.890 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNc3ccccc3[N+](=O)[O-])CC2)c(C)c1 9634922 VBHXDTADEIFSOC-UHFFFAOYSA-N 489.554 1.968 50 40 JDGB COc1cccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1 32577004 RHUPTFGCSCKHFY-HMAPJEAMSA-N 495.399 1.914 50 40 JDGB O=S1(=O)C[C@@H](Cl)[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)C1 157774875 FMPBXTVIPXCAEF-BDAKNGLRSA-N 467.588 1.894 50 40 JDGB COc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)c(OC)c1 408650900 AGKHXKUKCOOFKW-CYBMUJFWSA-N 475.885 1.715 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccc(F)cc1 409271273 UAHGUANMLUIVIG-SIQOIFSASA-N 486.500 1.987 50 40 JDGB CNC(=O)/C(C#N)=C/c1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c(C)cccn2c1=O 2199930 RXVBWJBGDBVPGQ-OBGWFSINSA-N 458.522 1.991 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccccc1 20207285 ZLLRPAJEWURJDO-LFVJCYFKSA-N 472.567 1.994 50 40 JDGB COc1ccc(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(C)(=O)=O)cc1 20210234 HMFSISBARXXXID-CIAFOILYSA-N 451.501 1.637 50 40 JDGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)c1OC 9331466 QJTFQRSXNIZEBG-NUGSKGIGSA-N 478.425 1.409 50 40 JDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc3c(c2)NC(=O)CS3)c1 9585417 JDXUEYNCXQSMBS-UHFFFAOYSA-N 462.553 1.836 50 40 JDGB COc1c(Br)c(C[C@@H]2CC(C(=O)NN)=NO2)c(Br)c2c1OCO2 15085748 BUFTWLNQFDKHAG-RXMQYKEDSA-N 451.071 1.626 50 40 JDGB COc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 408880522 JOGHWPVFCPSZDP-WGARJPEWSA-N 477.477 1.940 50 40 JDGB NS(=O)(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 38146083 RKRMYXYNEHATGY-XALSLBCYSA-N 478.162 1.616 50 40 JDGB CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)NNC(=O)c2ccc(F)cc2)cc1 9663695 HGLMCMBZDNOISO-CQSZACIVSA-N 465.503 1.863 50 40 JDGB O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NNC(=O)Cc1c[nH]c2ccccc12 9912231 BBYGMDXLSCVQSK-UHFFFAOYSA-N 497.577 1.171 50 40 JDGB COc1cc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCCN1CCOCC1 8441863 CQAMNIXNQZPGGB-XUZZJYLKSA-N 474.565 1.761 50 40 JDGB Cn1c(=O)[nH]c(=O)c2c1nc(SC[C@H](O)CCl)n2Cc1cccc(Br)c1 655593 WGDNZPCRCUVXSE-LLVKDONJSA-N 459.753 1.926 50 40 JDGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1OC 35086021 GTULWSPSHGRRTP-VXLYETTFSA-N 452.445 1.049 50 40 JDGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408743288 ZTMUFQOPZHOEJM-IXJMWADBSA-N 457.493 1.853 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(OC)c1 408921657 BVDXYZOAUBUTHO-ZGRCRBMVSA-N 497.464 1.933 50 40 JDGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 408961289 MHHXMTZGSSMFOC-CFRMEGHHSA-N 465.466 1.937 50 40 JDGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)cc1OC 19690936 WPMLQHGHAASUAK-NRFANRHFSA-N 452.511 1.724 50 40 JDGB COC(=O)c1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)C=3C#N)cc1 39400741 CDNCBBZPUJPFLJ-LYCWOWIHSA-N 498.520 1.434 50 40 JDGB COC(=O)[C@H](/C(=N/NC(N)=O)C(=O)Nc1ccc(C)cc1)c1nc2ccc([N+](=O)[O-])cc2nc1O 102921408 NPRPPINXHPFRTJ-GQTSJAMDSA-N 481.425 1.472 50 40 JDGB COC(=O)/C(=N/NC(N)=O)[C@H](C(=O)C=C(C)C)C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 104291716 NSCVUUWGVANSJI-ODSPIHKRSA-N 457.270 1.850 50 40 JDGB O=C(CCC(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)NCc1ccco1 408652772 IGFAEZIFDLWHJZ-UHFFFAOYSA-N 452.261 1.443 50 40 JDGB O=C(O)COc1ccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1 408988656 ISDITHHXQKLAQW-YTFRCDPQSA-N 465.466 1.861 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)c(C)c2)cc1 409163831 YLJQQLGJKCGXMY-WYMPLXKRSA-N 491.342 1.988 50 40 JDGB CN([C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1=O)[C@@H]1CCc2c(Br)cccc21 2087175598 YGSKMJZEYGWTQQ-WOJBJXKFSA-N 471.160 1.879 50 40 JDGB COc1cc(S(=O)(=O)NNC(=O)[C@@H](C)Oc2ccc3c(C)cc(=O)oc3c2)ccc1NC(C)=O 13072156 QPQFBMAXGIBVMB-CYBMUJFWSA-N 489.506 1.845 50 40 JDGB CN(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Br)cc1 16187021 MMJGGVLIVCEURY-DJKKODMXSA-N 454.302 1.949 50 40 JDGB C[C@@H](CCC(=O)ON1C(=O)C[C@@H](S(=O)(=O)O)C1=O)SSc1ccncc1C(=O)N(C)C 306146177 BZNFRACCQKDBEB-GXFFZTMASA-N 491.569 1.166 50 40 JDGB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)NNC(=O)c1ccccc1 408654257 BCLDUMPATUKWDX-CWMMHYCISA-N 489.528 1.633 50 40 JDGB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NN=C3CCN(C(C)=O)CC3)CC2)cc1 9439227 LPDAZZIOOCXKBW-UHFFFAOYSA-N 450.561 1.601 50 40 JDGB C[C@@H](Oc1ccc(Br)cc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 12851323 VFWGJRICSKTQCC-GFCCVEGCSA-N 470.345 1.928 50 40 JDGB O=C(COc1ccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)cc1)NC[C@@H]1CCCO1 58873228 ZJJKZOWCHMEPNY-BUNCMMSWSA-N 452.511 1.517 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)N1CCCC1 409159357 ZOXZUAWOMBZOEX-WGOQTCKBSA-N 452.511 1.853 50 40 JDGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)cc1 409168247 LWUIXLCIWFHVOP-MFKUBSTISA-N 468.510 1.584 50 40 JDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)c(OC)c1OC 2338526 ZWHKYYLYLSYYJT-FOKLQQMPSA-N 464.442 1.689 50 40 JDGB CCOc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CNc1ccccc1C(N)=O 2446531 HAYVJEGVUQVXKZ-KBKYJPHKSA-N 490.484 1.106 50 40 JDGB CCc1sc(C(=O)NNC(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1C 24755315 VEBUSJALTMWSOM-UHFFFAOYSA-N 484.625 1.588 50 40 JDGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1OC 58873747 VTQLZOFTJVLXML-VULFUBBASA-N 470.526 1.416 50 40 JDGB COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCC(=O)O 408986369 BXTRPQOYFZGAAK-IZWKTHEGSA-N 495.492 1.870 50 40 JDGB O=S1(=O)C[C@H](NS(=O)(=O)c2cc(Br)ccc2Br)[C@@H](Cl)C1 157774580 FMPBXTVIPXCAEF-IUCAKERBSA-N 467.588 1.894 50 40 JDGB C[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)N(c1ccccc1)S(C)(=O)=O 408909004 ZYDMBFUDMGPDDA-MRSJDWDVSA-N 488.566 1.229 50 40 JDGB COc1ccc(N(C[C@H](O)Cn2cc(/C=N/NC(N)=O)c3ccccc32)S(C)(=O)=O)cc1 8754135 YSGIHEZBWIFXNJ-TVSCDJBNSA-N 459.528 1.479 50 40 JDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(OC)c([N+](=O)[O-])c2)cc1C 33721737 UYZUZISKHPMCRR-JAIQZWGSSA-N 450.473 1.691 50 40 JDGB O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)NNC(=O)c1ccccc1O 933534 CGPWDQQDPHAIIT-CQSZACIVSA-N 454.508 1.834 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNCC(=O)Nc3cc(F)ccc3F)C2)cc1 9562706 ZFFCKTJQBMDDCR-HNNXBMFYSA-N 466.510 1.933 50 40 JDGB COc1ccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 32576998 ZGGMOWSNYDSYNV-HMAPJEAMSA-N 495.399 1.914 50 40 JDGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)c2cccc(Br)c2)c2ccccc21 100282851 UDEJHTWFGKKZIK-HKOYGPOVSA-N 473.283 1.219 50 40 JDGB O=C(O)CC[C@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 105303401 NRXFVCDLBRGEDJ-PDGICABZSA-N 453.083 1.082 50 40 JDGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 409251545 ADUWVGUSMBCQQH-MFKUBSTISA-N 468.510 1.584 50 40 JDGB COc1ccc(NC(=O)CC(=O)N/N=C/c2ccc(N(CCC#N)S(C)(=O)=O)cc2)cc1 1625500 QOJYIHLPYYOQDO-HZHRSRAPSA-N 457.512 1.854 50 40 JDGB O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1=CC(=O)[C@H]2C=CC=C[C@@H]2O1 9368869 VOWRUEWBUFFNMN-QUCCMNQESA-N 471.535 1.606 50 40 JDGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 9442361 CWALZKULDNROQI-ZDUSSCGKSA-N 455.533 1.903 50 40 JDGB COc1cc(F)c(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1OC 23143857 GNKUSVXUTHNBJW-UHFFFAOYSA-N 487.531 1.251 50 40 JDGB COc1ccc(OC)c(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 36006887 LLGGLRWPZWNSHJ-HAHDFKILSA-N 460.556 1.469 50 40 JDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)N3CCCCCC3)o2)cc1 408780329 BAKAMMFIIUOLJJ-MYYYXRDXSA-N 453.499 1.696 50 40 JDGB CCOc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCCCC1 706230 DOVIZHGISHYASN-YDZHTSKRSA-N 453.507 1.771 50 40 JDGB O=C(COc1ccccc1[N+](=O)[O-])NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 857177 HDAOIHGNWJDLDW-CYBMUJFWSA-N 463.244 1.689 50 40 JDGB NC(=O)c1ccccc1NCc1c(C(=O)N/N=C/c2cc(Cl)ccc2O)nnn1-c1nonc1N 1868949 MUXSVSVJPXIYKG-ZNLRHDTNSA-N 496.875 1.066 50 40 JDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSC2=NCCS2)ccc1O 9329906 ZCNANHNVIWSCGR-IFRROFPPSA-N 475.516 1.047 50 40 JDGB CNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1 9951769 BWJAQVNNVBCEDS-UHFFFAOYSA-N 491.529 1.428 50 40 JDGB CC(C)[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408654811 GWHCYEVKQJQFAC-KMNYTQEUSA-N 475.929 1.700 50 40 JDGB Cc1nnc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)s1 408691403 ZRUCSLLDNAFMJE-UHFFFAOYSA-N 484.332 1.722 50 40 JDGB COc1cc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)ccc1OCC(=O)O 4044893 YHSKZIFXGPLPJC-NUGSKGIGSA-N 465.426 1.291 50 40 JDGB NC(=O)COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 16479452 MXSXQPZGWMUKDV-CVKSISIWSA-N 480.546 1.892 50 40 JDGB COCCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 58873076 GYGLFWAIPUCTDS-MYYYXRDXSA-N 456.499 1.706 50 40 JDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1)NCCc1ccccc1 58873830 CFMVGTPEPKROSP-VJWWNUEDSA-N 452.511 1.170 50 40 JDGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 10216894 DXZXMGDRSFPURB-UHFFFAOYSA-N 467.931 1.753 50 40 JDGB CC(=O)Nc1ccc(/C=N/NC(=O)COCC(=O)N/N=C/c2ccc(NC(C)=O)cc2)cc1 17023846 OUSCFZRABNGSJB-ASIDMNOUSA-N 452.471 1.220 50 40 JDGB COC(=O)c1ccc(Cl)cc1N/C=C1/C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 103516374 LPWWFJKOEWSVRT-WFSQQTBHSA-N 463.899 1.818 50 40 JDGB CC(C)NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 408774804 DAIJTIWYMYHTIG-OCKHKDLRSA-N 471.333 1.495 50 40 JDGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)cc2)cc1 58873838 BOMLEMYMZPMAMK-HMHIXTCJSA-N 454.483 1.458 50 40 JDGB CC(C)(C)NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 408780186 UWVISQLCFWBRGE-JMIUGGIZSA-N 485.360 1.885 50 40 JDGB CCOC(=O)COc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1I 408993079 BZWHULXTCHMKSH-GRSHGNNSSA-N 475.283 1.015 50 40 JDGB COc1cccc(-c2c(C(=O)N/N=C/c3cc(OC)c(OC)cc3OC)nnn2-c2nonc2N)c1 2448883 XBURSTDJFDLBLD-BHGWPJFGSA-N 494.468 1.698 50 40 JDGB COc1cc(/C=C/C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc(OC)c1OC 2628287 XMNJNZGCLLMBJK-MDZDMXLPSA-N 463.512 1.437 50 40 JDGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(C)(=O)=O)c1 20211164 NYSWQIHQONTCPV-OEAKJJBVSA-N 462.528 1.969 50 40 JDGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 25376585 PYZIXKSNLKCWJB-HNNXBMFYSA-N 495.529 1.660 50 40 JDGB CN1C(=O)/C(=N/NC(=O)CCCCC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccccc21 85397603 CZLFGFIZCWUYJO-GPAWKIAZSA-N 460.494 1.541 50 40 JDGB CNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 409161505 YGBAFEDTRDALMX-AUEPDCJTSA-N 477.315 1.980 50 40 JDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1 409185319 XABHSAMNSVSWMV-MFKUBSTISA-N 482.518 1.979 50 40 JDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)c(OC)c1OC 2448238 OKGGEGQOFQYIDI-ZVBGSRNCSA-N 470.471 1.751 50 40 JDGB COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccs1)C=2C(=O)Nc1ccc(C)cc1C 3764671 UISUGLRUQUGFLW-DDYRAIOVSA-N 492.582 1.779 50 40 JDGB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cc(-c2ccccc2)n[nH]1 8825742 ONOOAFAZLWEXIC-DHZHZOJOSA-N 481.534 1.572 50 40 JDGB CC(=O)Nc1ccc(SCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 9507349 HCTNOTSHVRJPPZ-UHFFFAOYSA-N 464.569 1.514 50 40 JDGB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2[C@@H]3C[C@H]4[C@H](OC(=O)[C@@H]42)[C@@H]3Br)cc1 9581303 YZZXCVUNZBWKGI-AALSHETBSA-N 466.284 1.916 50 40 JDGB CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 12934981 YIOBSMBSTYJWML-NRFANRHFSA-N 479.537 1.958 50 40 JDGB CS(=O)(=O)O[C@@H]1C[C@H]2C3C1[C@H](OS(C)(=O)=O)C[C@@H]3[C@@H](Br)[C@H]2Br 104285581 XMTIICQEBOGUML-STZYQNSISA-N 482.212 1.489 50 40 JDGB CCC(=O)OC[C@@H]1O[C@H](n2nc(Br)c(O)nc2=O)[C@@H](Br)[C@H]1OC(=O)CC 253530333 LMKFFNJPJUYLNP-VHMYRRENSA-N 499.112 1.042 50 40 JDGB biogenic C[C@@H](CCC(=O)ON1C(=O)C[C@@H](S(C)(=O)=O)C1=O)SSc1ccc([N+](=O)[O-])cn1 306146950 QGJALSNSJKAIFI-GXSJLCMTSA-N 463.515 1.529 50 40 JDGB COc1cccc(N2C[C@@H](C(=O)NNC(=O)c3sc(N4CCOCC4)nc3C)CC2=O)c1 12975224 KEQJFHVARFGCIE-AWEZNQCLSA-N 459.528 1.111 50 40 JDGB C/C(=N\NC(=O)Cc1cn2ccsc2n1)c1ccc(S(=O)(=O)NCCCC(=O)O)cc1 13072710 OBDWSDQEDPIJTE-LPYMAVHISA-N 463.541 1.622 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccccc2NC(=O)c2ccco2)cc1 17406449 KFCQVTXXMQOMLK-UHFFFAOYSA-N 470.507 1.922 50 40 JDGB COc1ccc(CNC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1 408783025 MDZHQNCVODOWQM-OYKKKHCWSA-N 470.507 1.533 50 40 JDGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccccc2Br)cc1OC 409146178 RFIIRZJYFBPGEL-VXLYETTFSA-N 456.318 1.895 50 40 JDGB COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(N)=O 409268691 XPLWXQRJUNZIMW-ZBKNUEDVSA-N 451.233 1.994 50 40 JDGB CC(C)n1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc2c1=O 9666836 YUMWJTBEKWHGCK-UHFFFAOYSA-N 483.550 1.837 50 40 JDGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)c1OC 19690942 QIWVLENDXDKWJU-HXUWFJFHSA-N 452.511 1.724 50 40 JDGB O=C1[C@H]2[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H]2C(=O)N1N[C@@H]1CC[C@@H]([N+](=O)[O-])C[C@H]1[N+](=O)[O-] 104159880 XSAMGEPLRIMHQZ-DCUALPFSSA-N 478.116 1.379 50 40 JDGB COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1Br 409230104 BNNQEQHKRYYAEL-WAPJZHGLSA-N 461.066 1.865 50 40 JDGB O=C(NNC(=O)c1cc(=O)[nH]c(O)n1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 2618740 CCXCVKAXGWGQKD-UHFFFAOYSA-N 463.859 1.005 50 40 JDGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 3339626 VFVMIDGJZCWVJZ-UHFFFAOYSA-N 453.904 1.444 50 40 JDGB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NNC(=O)c1ccccc1 408667848 TXVLNEVIKLVGLN-ACRUOGEOSA-N 475.501 1.553 50 40 JDGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1)S(C)(=O)=O 409148074 XEMQTWCRWHHDFB-PFRKPPGBSA-N 488.566 1.520 50 40 JDGB Cc1cccc(C)c1N1C(=O)C(=O)[C@@H](c2nc3ccccc3s2)/C(=N/NC(=O)NN)C1=O 102961899 RISLEAPECJYVQI-XWEJKRGESA-N 450.480 1.668 50 40 JDGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc1[N+](=O)[O-] 408682970 MADHHOICJKDESK-MXMMTARNSA-N 484.292 1.851 50 40 JDGB O=C(NCc1ccncc1)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408802994 KBVIHIFEWQGCBZ-WKIKZPBSSA-N 482.884 1.349 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)c1ccc(Cl)c(Cl)c1 408920647 LSSIRDVBQKCNJZ-LSFURLLWSA-N 473.338 1.774 50 40 JDGB O=C1CC[C@H](C(=O)NNC(=O)c2cccnc2N2CCN(Cc3cccc(Cl)c3)CC2)N1 1587114346 MKIQUNFYNCOIFF-GOSISDBHSA-N 456.934 1.097 50 40 JDGB CCOc1ccc(-c2c(C(=O)N/N=C/c3cc(OC)c(O)c(OC)c3)nnn2-c2nonc2N)cc1 2595749 BKVVSNSHJQSDAL-BHGWPJFGSA-N 494.468 1.785 50 40 JDGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1)S(C)(=O)=O 20212258 JBPAQQJGHZZRAG-RGVLZGJSSA-N 450.473 1.837 50 40 JDGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(C)(=O)=O)cc1Cl 8452177 HERKANVDZAVVPU-LSHDLFTRSA-N 452.920 1.429 50 40 JDGB COc1cccc(-c2c(C(=O)N/N=C/c3cc(OC)ccc3OC)nnn2-c2nonc2N)c1 13805005 UYXQVZOBCRKGNJ-FOKLQQMPSA-N 464.442 1.689 50 40 JDGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(C)(=O)=O)cc1OC 20211402 MEMNRBCPYVFNES-OEAKJJBVSA-N 462.528 1.969 50 40 JDGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)c(OC)c1 409164871 OYHIDEGMKRLJPL-ZVHZXABRSA-N 454.483 1.794 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)N1CCOCC1 409267900 PTJRFFOSJRAJJQ-CVKSISIWSA-N 468.510 1.008 50 40 JDGB COC(=O)C1=NC(=O)C(C#N)=C(C(=O)OC)[C@]1(C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 5567996 WDZVMEMSXDJXKZ-RUZDIDTESA-N 476.441 1.972 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 9358072 BTAKLZWLIKKEGM-LSHDLFTRSA-N 477.397 1.690 50 40 JDGB CN1C(=O)/C(=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c2ccccc21 409349475 QKDBKORXXHUFFE-HEHNFIMWSA-N 465.329 1.712 50 40 JDGB O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)[C@H]1COc2ccccc2O1 9508314 CNKBLLMRIBQSRM-MRXNPFEDSA-N 484.328 1.105 50 40 JDGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 100282874 TWTUEBNOLIHQBX-SZXQPVLSSA-N 450.495 1.754 50 40 JDGB C[C@H](NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl)c1ccccc1 408655074 CPPOXCWCEONPJE-REPYALDYSA-N 453.322 1.873 50 40 JDGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccncc1 408953767 YCAWOGMUVYNLOA-HXUWFJFHSA-N 453.524 1.967 50 40 JDGB CCCOc1ccc(-c2c(C(=O)N/N=C3\C(=O)Nc4ccccc43)nnn2-c2nonc2N)cc1 2343956 SIBCPHCRYVWNCW-UHFFFAOYSA-N 473.453 1.775 50 40 JDGB C/C=C/c1ccc(OCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 9316225 YMWMQIQXAQVAPK-AATRIKPKSA-N 461.540 1.884 50 40 JDGB CC(C)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2nncn2C)cc1 9479221 OJBGAJZJYMRWCJ-ODCIPOBUSA-N 467.519 1.541 50 40 JDGB COc1ccc(C=NNC(=O)Cc2nnc(/N=C(\O)c3ncn[nH]3)s2)cc1Br 16226625 KTMGDAFLZGMVPO-UHFFFAOYSA-N 465.293 1.756 50 40 JDGB COc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc2C1 19830866 NASDAEFRAFUYKK-BRJLIKDPSA-N 473.497 1.563 50 40 JDGB COc1cccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)c1O 408729617 CTDHKAGFHVSHCQ-KEBDBYFISA-N 456.440 2.106 50 40 JDGB C/C(N)=C(\C#N)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 9492763 PWQXPMKUABXRMY-OWBHPGMISA-N 459.446 1.975 50 40 JDGB CCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)c1 13163828 KKHZTBIHAOSJRM-UHFFFAOYSA-N 457.512 1.180 50 40 JDGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)c1 9498041 IDFLGVXSEHPRGY-FSJBWODESA-N 453.507 1.770 50 40 JDGB O=C(O[C@H](C(=O)NNC(=O)c1ccco1)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1 9972832 GYTNZSVEEWDMOC-ZWKOTPCHSA-N 466.402 1.576 50 40 JDGB Cc1cccc(C(=O)N[C@H](C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(C)C)c1 26561342 QULPDLVGQSNVHN-NRFANRHFSA-N 486.594 1.995 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 409154972 HXKVENAAHRGNGX-DHRITJCHSA-N 456.499 1.542 50 40 JDGB COCCNC(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)[C@@H](C(=O)OC)C(=O)N1 409309759 MBTUZEIXPDACPJ-HZPDHXFCSA-N 482.356 1.683 50 40 JDGB CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 9300585 IZVLFHOAMBSVOY-QOMWVZHYSA-N 454.483 1.719 50 40 JDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cc(Br)ccc2O)cc1 16186803 PYLZDFNSJBTLAN-VXLYETTFSA-N 456.318 1.934 50 40 JDGB CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 3864906 PDASHHMKEZOXHU-BUVRLJJBSA-N 460.556 1.996 50 40 JDGB COC(=O)[C@H](Cc1nc2ccccc2nc1C)/C(=N/NC(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1 17211560 BEBKLCLJNBWQGB-PZYRRFEBSA-N 479.453 1.841 50 40 JDGB COc1cc(C(=O)N/N=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c([N+](=O)[O-])c(OC)c1OC 100319049 VJMPWIRBGRAQQV-WSVATBPTSA-N 465.331 1.907 50 40 JDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 409168773 NNDBZBOOJYVLKG-DHRITJCHSA-N 476.917 1.969 50 40 JDGB CCn1c(O)c(C(=O)NNS(=O)(=O)c2ccc(NC(=O)OC)cc2)c(=O)c2ccccc21 15979047 MHXSHSAFWRGXIJ-UHFFFAOYSA-N 460.468 1.529 50 40 JDGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1OCC 59246971 QHOQBOPHLNKXBF-YBFXNURJSA-N 461.300 1.871 50 40 JDGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)ccc1O 408790609 SWCKXXDLBOERKK-CIAFOILYSA-N 451.501 1.724 50 40 JDGB Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NNC(=O)[C@@H]1C(=O)Nc3ccccc3C1=O)O2 1641456890 TYJOVQITZLQEKB-XDHUDOTRSA-N 451.479 2.000 50 40 JDGB O=C1CC[C@@H](C(=O)NNC(=O)c2cccnc2N2CCN(Cc3cccc(Cl)c3)CC2)N1 1587114348 MKIQUNFYNCOIFF-SFHVURJKSA-N 456.934 1.097 50 40 JDGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1)NC[C@H]1CCCO1 19594682 GEPOUGVGMMDSAK-SWOYFSSUSA-N 480.565 1.957 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)c1cccc(Br)c1 28213309 DVUGRDIDTHNOPK-UFFVCSGVSA-N 483.344 1.230 50 40 JDGB CC(C)(C)c1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1 408653623 JBYVOCALBZPNRP-GOSISDBHSA-N 480.521 1.482 50 40 JDGB CC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1 408659430 JSKLQVBJZSCBAA-DJQNJWNESA-N 467.305 1.837 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)N1CCOCC1 409170525 WCVHCDRNZSXISL-ZVHZXABRSA-N 454.483 1.330 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)N1CCCC1 409266332 QTRYWXOWWCIQBZ-MZJWZYIUSA-N 496.520 1.582 50 40 JDGB Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1 408664375 ZMEFXRXBQFHOLO-HNNXBMFYSA-N 472.885 1.146 50 40 JDGB CCN1C(=O)/C(=N\NC(=O)Cn2c(C)c(Br)c(COC)c(C#N)c2=O)c2ccccc21 409220201 ZEUAAVMCFOPGQO-PLRJNAJWSA-N 486.326 1.824 50 40 JDGB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccccc1Br 12697394 OPOBHNZYRFJKHA-UHFFFAOYSA-N 460.240 1.050 50 40 JDGB O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCOCC1)NNC(=O)c1ccccc1 21672507 UZEPDIHPMLFHPS-UHFFFAOYSA-N 481.578 1.672 50 40 JDGB C[C@H](C(=O)N1CCOCC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 102649512 KPICJABWXCJXFK-KQWRFTCOSA-N 464.154 1.012 50 40 JDGB COCCNC(=O)/C(C#N)=C/c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O 2203484 MAOIDLFJTWYFCC-HTXNQAPBSA-N 458.522 1.691 50 40 JDGB CN(C)N(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)[C@H]1CCS(=O)(=O)C1 9114532 KRQUJSXAZCSOSK-SFHVURJKSA-N 463.581 1.544 50 40 JDGB CCOc1ccc(C(=O)NNC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1OC 12582060 CGNZKJFQXAEARE-UHFFFAOYSA-N 497.335 1.708 50 40 JDGB CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1OC 15761837 MZEGZBCTIWGXKQ-KRWDZBQOSA-N 465.503 1.847 50 40 JDGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1cc(OC)c(OC)c(OC)c1 35105120 VEEYKQWUVTXSRJ-UUYOSTAYSA-N 465.528 1.800 50 40 JDGB CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1cc(Cl)ccc1OCC(N)=O 9305929 KTZVRVYWHWBYKQ-WFLZOKOHSA-N 474.901 1.838 50 40 JDGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1C)c1ccc2c(c1)OCO2 33870061 AMBMVQLWNPUAFT-FBYPQVGPSA-N 467.490 1.490 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cc(Br)ccc2O)c1CN1CCCCC1 1755091 ORTLEXZCOXGQRS-ZVBGSRNCSA-N 490.322 1.450 50 40 JDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1)NCc1ccccc1 409272522 QVTMSLWDSOTGRA-WKULSOCRSA-N 488.500 1.877 50 40 JDGB NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1 28213510 WUPLILQSXWMNPT-DHRITJCHSA-N 467.507 1.291 50 40 JDGB COC(=O)COc1c(Br)cc(/C=N\NC(=O)CN2CCOCC2)cc1Br 59246545 KSCOTZNJQSIFLI-UWVJOHFNSA-N 493.152 1.546 50 40 JDGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)NNC(=O)c1ccc(Br)cc1 408671725 ZZVRONVCFVEPLK-LUVWLHFXSA-N 492.326 1.175 50 40 JDGB O=C(NCc1ccccn1)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408784612 VWABUYBFYFWVJN-WKIKZPBSSA-N 482.884 1.349 50 40 JDGB CN(C)c1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(N(C)C)cc2)C=3C#N)cc1 989250 AIXIDOJZQNMFCW-YQZDYSOMSA-N 468.586 1.993 50 40 JDGB COc1cc(C(=O)NNC(=O)COc2cccc(C)c2)ccc1OCC(=O)N1CCOCC1 12985700 XFCAKAIYMIXCLC-UHFFFAOYSA-N 457.483 1.081 50 40 JDGB Cn1ccc(-c2nnc(SCC(=O)NNC(=S)NC3CCCCC3)n2C[C@H]2CCCO2)n1 22715378 ONBSHOXUWUFPPY-OAHLLOKOSA-N 478.648 1.778 50 40 JDGB Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)ccc12 2627356 SKFNGEAYOHLUFX-UHFFFAOYSA-N 455.379 1.393 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 8970260 NSWHVHKBHJBGMM-ZMOGYAJESA-N 488.468 1.857 50 40 JDGB CCC(=O)N(NC(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1=O 10075633 ASGHQKGMWMRSMT-QGZVFWFLSA-N 485.493 1.937 50 40 JDGB O=C(CNC(=O)c1ccco1)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 13137771 OJKUBEVSPANPTK-UHFFFAOYSA-N 476.898 1.925 50 40 JDGB O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 2658181 MDUDTZVEERMVQQ-UHFFFAOYSA-N 456.524 1.583 50 40 JDGB CN(Cc1c(C(=O)N/N=C/c2ccccc2OCC(=O)O)nnn1-c1nonc1N)C1CCCCC1 9479185 LYFNGHKVEAXNBL-BHGWPJFGSA-N 497.516 1.224 50 40 JDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 20209255 XMQFHROPVNTGJC-SRZZPIQSSA-N 453.904 1.808 50 40 JDGB C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 1257808 BPPUBTGIJSPXKG-QOMWVZHYSA-N 452.467 1.495 50 40 JDGB NC(=O)N[C@H](CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1Cl 13134846 NEAHHXZHXCIENS-GOSISDBHSA-N 493.973 1.685 50 40 JDGB O=C(O)CC[C@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br 105303399 NRXFVCDLBRGEDJ-BRSGREERSA-N 453.083 1.082 50 40 JDGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3C[C@H](O)C[C@H]3C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 217486883 ICVRXJQFTIXGAJ-RNKIHXFISA-N 497.541 1.564 50 40 JDGB O=C(COC(=O)CCC(=O)NNC(=O)c1ccccc1Cl)NNC(=O)c1ccc(Cl)cc1 408643607 AXKIPDKBRFEEHA-UHFFFAOYSA-N 481.292 1.539 50 40 JDGB CCC(=O)N(NC(=O)c1cc(OC)c(OC)c(OC)c1)[C@H]1CC(=O)N(c2cccc(OC)c2)C1=O 100125964 ASGHQKGMWMRSMT-KRWDZBQOSA-N 485.493 1.937 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cccnc2)c(OC)c1 408921553 ARXDVFPYUNNFOY-DGPKFNOPSA-N 453.455 1.420 50 40 JDGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1 3302240 SCZCLOYNCXXQIE-UHFFFAOYSA-N 483.506 1.651 50 40 JDGB CC1(C)C(C#N)=C(SCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)NC(=O)[C@H]1C#N 8718525 YTYGOJHXTKUFDC-HZPDHXFCSA-N 458.565 1.971 50 40 JDGB O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 9507871 KPNWRONLZIZHEP-UHFFFAOYSA-N 478.465 1.222 50 40 JDGB C[C@H]1NC(C(=O)OCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)=NN(c2ccccc2)C1=O 12546001 PHHOXTXYVRZKAR-OAHLLOKOSA-N 458.478 1.758 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)NCc1ccccc1 409263558 HQTJBXAAYRXNEP-FBBDWWHMSA-N 468.510 1.136 50 40 JDGB Cc1ccccc1OCC(=O)NNC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl 9440083 SCXUMMWFTFESJF-UHFFFAOYSA-N 467.309 1.374 50 40 JDGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408654813 GWHCYEVKQJQFAC-RJYYBVGHSA-N 475.929 1.700 50 40 JDGB COC(=O)c1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)C=3C#N)cc1 1815691 CDNCBBZPUJPFLJ-IQKNENRKSA-N 498.520 1.434 50 40 JDGB O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 8877337 MABQEBXVCDQCKD-UHFFFAOYSA-N 499.343 1.018 50 40 JDGB CCc1nc2ccccc2n1CC(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 9367129 QDTCZBCJYVETRP-UHFFFAOYSA-N 469.567 1.847 50 40 JDGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)c1 12753856 HZGUEIVXWUBLPL-HDICACEKSA-N 475.567 1.941 50 40 JDGB COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)c1OC 19690944 QIWVLENDXDKWJU-FQEVSTJZSA-N 452.511 1.724 50 40 JDGB Cn1c(=O)c2ncn(CC(=O)NN=Cc3ccc(-c4cccc(Br)c4)o3)c2n(C)c1=O 254841273 OFDQECGMQVEEJB-UHFFFAOYSA-N 485.298 1.607 50 40 JDGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)c1C 31480062 JKGVAESABGCNNI-LBPRGKRZSA-N 470.345 1.942 50 40 JDGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(N2CCOCC2)o1)OCc1ccccc1 408988682 IVCKSYDBIHCTTP-RAQUAXEKSA-N 466.498 1.827 50 40 JDGB O=C(NNC(=S)NC(=O)c1ccco1)c1ccc(NC(=S)NC(=O)c2ccco2)cc1 3226047 MXFGCFXCAIFCAC-UHFFFAOYSA-N 457.493 1.949 50 40 JDGB COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccs1)C=2C(=O)Nc1ccc(C)cc1C 3764673 UISUGLRUQUGFLW-WSDUQJHMSA-N 492.582 1.779 50 40 JDGB O=C(NNS(=O)(=O)c1cccc(OC(F)(F)F)c1)c1csc(N2CCOCC2)n1 22958745 IKTJEJAUSOZBLV-UHFFFAOYSA-N 452.436 1.502 50 40 JDGB COc1ccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1 36003779 ZCTAGYLTKQMMHR-HAHDFKILSA-N 460.556 1.469 50 40 JDGB CCOC(=O)CC1=C(C(=O)OCC)[C@@]2(C(=O)N(CC(=O)OCC)c3ccccc32)C(C#N)=C(N)O1 2051466 PNBNGSZTFANHAP-DEOSSOPVSA-N 483.477 1.329 50 40 JDGB CCn1nc(C(=O)NNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)c2ccccc2c1=O 9836278 KKQAEOBTBKZGJX-HXUWFJFHSA-N 499.593 1.879 50 40 JDGB Cc1ccccc1C(=O)N1CCC(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 9885468 ZOZKAQBEXUNOFF-UHFFFAOYSA-N 457.556 1.602 50 40 JDGB CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1 30599887 PBURDJSNOYEPEV-LJQANCHMSA-N 488.566 1.795 50 40 JDGB Cc1cccc(C)c1N1C(=O)C(=O)[C@@H](c2nc3ccccc3s2)/C(=N\NC(=O)NN)C1=O 104277563 RISLEAPECJYVQI-WKZBPUGBSA-N 450.480 1.668 50 40 JDGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)NCc3ccccc3)o2)cc1 408786570 KWTBGYLCTDKQPS-OYKKKHCWSA-N 454.508 1.833 50 40 JDGB NNC(=O)COc1c(I)cc(I)c2cccnc12 196632758 MFDCZXYCJVUCRH-UHFFFAOYSA-N 469.020 1.813 50 40 JDGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(C)(=O)=O)cc1 28213117 DZQVXGWLJWAXPR-YDZHTSKRSA-N 460.556 1.815 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)c(C)c2)c1 409169428 QPYOPRIEVYIQOK-WYMPLXKRSA-N 491.342 1.988 50 40 JDGB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS[C@@H]1CCCCO1)C(=O)NN 6075214 JGYLWJRNTLNAQJ-OKZBNKHCSA-N 466.604 1.857 50 40 JDGB O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)Cn1c(-c2ccccc2)nc2ccccc2c1=O 11990911 SCXFOUXHEZKSKK-OAHLLOKOSA-N 454.508 1.036 50 40 JDGB O=C(COC(=O)Cn1cnc2ccccc2c1=O)NNC(=O)c1ccc(Br)cc1 12675645 JGBFAQJUCVFXCX-UHFFFAOYSA-N 459.256 1.163 50 40 JDGB COc1cc(N/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc(OC)c1OC 102676109 ZMFOBFOOHNMBOO-DWKHYPNZSA-N 461.496 1.404 50 40 JDGB COC(=O)C1=c2s/c(=C\c3ccc(F)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(F)cc1 2240094 DKVJJYTVPPFIIZ-DAIOKFOQSA-N 451.454 1.789 50 40 JDGB O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)N/N=C/c1c(F)cccc1Cl 2451514 HJZYUXHMEZGQMC-WYMPLXKRSA-N 482.921 1.380 50 40 JDGB C/C(=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc([N+](=O)[O-])cc1 12467477 YVPDQYRNYRYEAR-XLNRJJMWSA-N 459.528 1.750 50 40 JDGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408743301 ZTMUFQOPZHOEJM-VYXQJKENSA-N 457.493 1.853 50 40 JDGB C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1 5028638 QLCVNZBNTGHOQV-JXFKEZNVSA-N 498.492 1.922 50 40 JDGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409260042 JTXSBZMWTBSQSL-BUVRLJJBSA-N 454.483 1.412 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C2/C(=O)Nc3ccccc32)c(OC)c1 27570092 AYAORTUWDLHZIN-FQEVSTJZSA-N 493.476 1.348 50 40 JDGB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)c1OC 28790792 UUIHHIDFFJDBHR-SNAWJCMRSA-N 488.316 1.526 50 40 JDGB Cc1cc(C)c(S(=O)(=O)NCCC(=O)NN(C)C)cc1N(C)S(=O)(=O)c1ccccc1 95117022 MCZBLIWMMOFOMD-UHFFFAOYSA-N 468.601 1.390 50 40 JDGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCOCC2)=C(C#N)[C@@H]1c1cccc(Br)c1 409314963 ICYIGGFVDGKMPI-IRXDYDNUSA-N 494.367 1.779 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C)c1ccc(C)cc1 9291065 SCSFXZLVZRKLCY-SRZZPIQSSA-N 453.492 1.116 50 40 JDGB C[C@@H](/C(=N\NC(=O)C(N)=O)c1c(Cl)ccc(Cl)c1O)[C@@]1(O)C(=O)Nc2ccccc21 17191915 XCMZQLSKBKYPEW-GVNYSIGOSA-N 451.266 1.481 50 40 JDGB CCOc1ccc(C(=O)NCC(=O)NNC(=O)CN2CCCc3ccccc32)cc1OCC 21778417 RIGVRBJQXSFMQT-UHFFFAOYSA-N 454.527 1.814 50 40 JDGB Nc1nonc1-n1nnc(CN2CCOCC2)c1C(=O)NN=C1CCC(c2ccccc2)CC1 25782350 NTMAMQRMPRQZPL-UHFFFAOYSA-N 465.518 1.508 50 40 JDGB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CS[C@H]1CCCCO1)C(=O)NN 245246126 JGYLWJRNTLNAQJ-KURKYZTESA-N 466.604 1.857 50 40 JDGB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CN1CCCc2ccccc21 9882932 GQFTWNBUOLXBMV-UHFFFAOYSA-N 486.594 1.240 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1COc1ccccc1)c1ccc2c(c1)OCO2 13714938 UHZQOXZASCVHRE-FSJBWODESA-N 462.426 1.694 50 40 JDGB O=C(NNS(=O)(=O)c1cccc(Cl)c1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1 2616204 SAMXWLHIWJPRKU-UHFFFAOYSA-N 494.378 1.638 50 40 JDGB CCn1c(C)nc2cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)ccc21 9778457 FNFJVNCUQULSTM-UHFFFAOYSA-N 486.554 1.405 50 40 JDGB Cc1ccccc1C(=O)N[C@H](C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(C)C 13004200 AAYCWOWUTQFKSQ-NRFANRHFSA-N 486.594 1.995 50 40 JDGB N#CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(Br)cc2)c2ccccc21 2401290 TVPZAJZVTLBCKW-BWAHOGKJSA-N 454.284 1.960 50 40 JDGB Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccccc1Br 12808181 IAABMZOZFATHFT-UHFFFAOYSA-N 461.363 1.674 50 40 JDGB O=C(N/N=C/c1ccc2ccccc2n1)[C@@H](O)[C@H](O)C(=O)N/N=C/c1ccc2ccccc2n1 59497648 CXBFGFJKXOHMCE-QSAZDVHOSA-N 456.462 1.105 50 40 JDGB COc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(=O)C(C)C)cc3)C2=O)cc1 408531021 GHXMLKPQHIPYQL-AMAFCZHPSA-N 465.466 1.905 50 40 JDGB COc1cccc(-n2c(C)nnc2SCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 9376252 OFYMZZMFEYWHLT-GOSISDBHSA-N 455.496 1.664 50 40 JDGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 9507371 RDJQFXSEQLSJAR-AWEZNQCLSA-N 475.552 1.045 50 40 JDGB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 9670685 IHESNOPNCCROGI-ZHACJKMWSA-N 465.915 1.543 50 40 JDGB CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NNC(=O)Cn1nc(C)cc1C 15440283 PUOYYDVOXJATOO-INIZCTEOSA-N 482.404 1.962 50 40 JDGB COc1cc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)ccc1O 9309638 HVAHFPMFGKWZKY-ZMOGYAJESA-N 477.485 1.737 50 40 JDGB C/C(CN1C(=O)c2ccccc2C1=O)=N\NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 12362281 ZMRRKGIULUEZTM-LFVJCYFKSA-N 468.535 1.876 50 40 JDGB COC(=O)c1cc(Br)ccc1S(=O)(=O)NNC(=O)c1cc(Br)cn1C 12937074 ZYEPRBCNCUYPHB-UHFFFAOYSA-N 495.149 1.960 50 40 JDGB CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NNC(=O)Cn1nc(C)cc1C 15440282 PUOYYDVOXJATOO-MRXNPFEDSA-N 482.404 1.962 50 40 JDGB COc1cc(/C=N\NC(=O)CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 35153573 URGQQYNKTFIRBE-UNFIKANMSA-N 488.497 1.729 50 40 JDGB COCc1cc(C)n(CC(=O)N/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)c(=O)c1C#N 98087315 OTJNZQKKOFUVFS-YXSASFKJSA-N 478.259 1.701 50 40 JDGB COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccccc3)o2)c1 408768579 HHKAAOSVUVYXKU-XKZIYDEJSA-N 456.480 1.856 50 40 JDGB COc1cc(C(=O)NNC(=O)c2nn(C)cc2I)cc(OC)c1OC 997469 SXJJZEXEDTVOEG-UHFFFAOYSA-N 460.228 1.125 50 40 JDGB Cc1nc(C)c(C(=O)NNC(=O)Cc2ccccc2)cc1C(=O)NNC(=O)Cc1ccccc1 1636124 YUGDLITYLAUWLD-UHFFFAOYSA-N 459.506 1.706 50 40 JDGB Cc1ccc(N2C(=O)C[C@H](NNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)C2=O)cc1 2656256 QPUVAAIZVXUUAR-IBGZPJMESA-N 456.524 1.346 50 40 JDGB Cc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 9587759 ADTLJPSAUYJRRQ-UHFFFAOYSA-N 461.363 1.674 50 40 JDGB COc1cc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(O)c(OC)c2)C=3C#N)ccc1O 1901962 VXXCVDRTZFXXIN-XTHAEVHISA-N 474.498 1.290 50 40 JDGB COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 6879055 BADAVSKWALQEAY-UHFFFAOYSA-N 481.552 1.271 50 40 JDGB COc1cc(/C=N/NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(OC)c1O 9823255 NPERKGNBZOFJME-HZHRSRAPSA-N 477.539 1.513 50 40 JDGB COc1cccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)c1 408687075 UEHYDDWVHYVBTJ-OOLZNYFQSA-N 455.294 1.643 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 409155279 QIVVMEPQYXEBTD-BRJLIKDPSA-N 476.917 1.887 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 409156556 OVDOWBOKZJHNGG-RPPGKUMJSA-N 466.416 1.936 50 40 JDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc(OC)c1O 1897080 CGUOTQONEPOPCO-DNTJNYDQSA-N 456.444 1.448 50 40 JDGB O=C(COc1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1)N/N=C/c1ccc(O)cc1O 3214959 SDTIZQUKTWEYFX-DHSUVYDUSA-N 464.434 1.802 50 40 JDGB CC(=O)OC[C@@H]1O[C@@H](Cl)[C@@H](OC(=O)C(Cl)(Cl)Cl)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5004708 QLOCGZWRSGBAGP-UHFZAUJKSA-N 470.085 1.659 50 40 JDGB CN(C)/N=C/c1ccc(P(=O)(c2ccc(/C=N/N(C)C)o2)c2ccc(/C=N/N(C)C)o2)o1 103437174 MDPCZAANUMNTOT-ALOUCKEBSA-N 458.459 1.792 50 40 JDGB CCOC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@@H](N)CCC(=O)O 4773984 NYHRFWFTQJDHSE-DLBZAZTESA-N 462.374 1.753 50 40 JDGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1 13042411 QUKDDQSXDWHRIK-UHFFFAOYSA-N 469.523 1.705 50 40 JDGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1ccccc1O 408531265 GPFGPHPFXKGBKO-PCQWDSEFSA-N 492.229 1.612 50 40 JDGB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)NNC(=O)c1ccc(Br)cc1 408645283 KUXMPBUXMHNDHM-CYBMUJFWSA-N 464.272 1.395 50 40 JDGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1)NNC(=O)c1ccccc1 408662843 PRIFSGMPEDFCCD-LRGYGIHKSA-N 461.474 1.840 50 40 JDGB CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)c2ccc(F)cc2)cc1 9663692 HGLMCMBZDNOISO-AWEZNQCLSA-N 465.503 1.863 50 40 JDGB COc1ccc(S(=O)(=O)NCCC(=O)NN(C)C)cc1N(C)S(=O)(=O)c1ccc(C)cc1 95117016 HEPFIHYUEMECGI-UHFFFAOYSA-N 484.600 1.090 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccc(C)cc1 409263940 JOOPGYURBKMXEK-JMJNUIHMSA-N 468.510 1.766 50 40 JDGB O=C(COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)NNC(=O)c1ccc([N+](=O)[O-])cc1 2616775 JSFLSWXYJBPALV-UHFFFAOYSA-N 487.428 1.912 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2)cc1 12972288 AUSPTAYBQPTOLR-SFHVURJKSA-N 479.580 1.011 50 40 JDGB O=C(N/N=C1/C[C@H](N2C(=O)c3ccccc3C2=O)[C@H]2CO[C@@H]1O2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 15162492 FJURCDYCERCTFV-MFAHJXEPSA-N 481.377 1.399 50 40 JDGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1)S(C)(=O)=O 28213473 RDFSFISMVCPIPO-ZMOGYAJESA-N 490.582 1.823 50 40 JDGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 48324334 QLRIWCNOCVCPTM-HNNXBMFYSA-N 478.546 1.905 50 40 JDGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 58881593 UMAFEEPYXIJWKV-HMHIXTCJSA-N 454.483 1.458 50 40 JDGB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NNC(=O)c1ccc(Br)cc1 408644621 HFFSQLIWBCVZNY-AWEZNQCLSA-N 460.284 1.806 50 40 JDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(Cn2cncn2)cc1 9423589 KRLIRDPWSAVRMK-DUPIZPNJSA-N 452.496 1.018 50 40 JDGB O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1O)c1ccccc1 9973763 APLKZXVYGUMIPY-WOJBJXKFSA-N 492.440 1.689 50 40 JDGB O=C(CI)NC(NC(=O)CI)c1ccccc1 97995368 RRLICIOVURTPNV-UHFFFAOYSA-N 458.037 1.788 50 40 JDGB COc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)c(OC)c1 408658447 KWMLJYIMSISHPZ-AWEZNQCLSA-N 475.885 1.715 50 40 JDGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)ccc21 2639480 VVWSRESYLKKYKA-UHFFFAOYSA-N 471.539 1.460 50 40 JDGB Cn1c(/C=N\NC(=O)c2ccc(C(=O)N/N=C/c3c[n+]4ccccc4n3C)cc2)c[n+]2ccccc12 31795149 GQZVBUYLQOEKEO-XFPKHNAPSA-P 480.532 1.369 50 40 JDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1OC 2453891 GIJIHIBNPIMMTN-NUGSKGIGSA-N 478.425 1.409 50 40 JDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 20209617 NDXWJPSSIMAGQL-SRZZPIQSSA-N 453.904 1.808 50 40 JDGB COC(=O)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 104096585 YBPUGGGPRGKDDO-KRWDZBQOSA-N 459.411 1.475 50 40 JDGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)c1 408648561 ZFQZIPQMNKXCGO-UHFFFAOYSA-N 478.845 1.980 50 40 JDGB O=C(COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)NNC(=O)c1ccc(Br)cc1 408655739 LXZUPEUJDSOCHS-AWEZNQCLSA-N 466.332 1.935 50 40 JDGB O=C(NCCc1ccccc1)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408801775 VSYBPJWTKXFVBK-YUMHPJSZSA-N 461.478 1.344 50 40 JDGB CCn1nc(C(=O)NNC(=O)[C@@H](NC(=O)COc2ccccc2)C(C)C)c2ccccc2c1=O 26546837 YWCXQKCCBQZRHD-FQEVSTJZSA-N 465.510 1.397 50 40 JDGB O=C(COc1ccc(Cl)cc1Cl)NNc1cc(N2CCOCC2)nc(N2CCOCC2)n1 1064475 DVTLNOHXYMNACM-UHFFFAOYSA-N 483.356 1.979 50 40 JDGB CN(C)Cc1c(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)nnn1-c1nonc1N 2265368 WIKVKJGHYYEOTH-WYMPLXKRSA-N 461.486 1.637 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cc(Cl)ccc2O)c1CN1CCCCCC1 12428478 FALQRBNWRWSXQI-LSHDLFTRSA-N 459.898 1.731 50 40 JDGB COc1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc(OC)c1OC 12582008 UTVOXYLLJVRRTI-UHFFFAOYSA-N 463.512 1.572 50 40 JDGB COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)NCC(C)C)cccc2OC)cc1 408611931 SLWRATBWOGGGJT-DHRITJCHSA-N 456.499 1.944 50 40 JDGB COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccs1)C=2C(=O)Nc1ccc(C)c(C)c1 3764675 KFNUHLYTJQBZFF-DDYRAIOVSA-N 492.582 1.779 50 40 JDGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)cccc2OC)cc1 408609862 LUEUIXFVPCXKTC-SODVTCOWSA-N 498.536 1.857 50 40 JDGB O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1=CC(=O)[C@@H]2C=CC=C[C@H]2O1 100816501 VOWRUEWBUFFNMN-AZUAARDMSA-N 471.535 1.606 50 40 JDGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(O)cc1O 408945088 KBSQSJJSEYCNTC-OAQYLSRUSA-N 484.534 1.983 50 40 JDGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 2541983 QGOJRZOIWSNDPS-LSHDLFTRSA-N 477.397 1.432 50 40 JDGB Cc1occc1C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 12691200 PNVXIGPPSLFACT-UHFFFAOYSA-N 457.464 1.870 50 40 JDGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1ccccn1 19850520 JNSYAOKXXYGVSP-BKUYFWCQSA-N 466.361 1.301 50 40 JDGB CC(=O)Nc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc1 408688824 XSGFXDATKACVMX-YWALVYIISA-N 482.320 1.592 50 40 JDGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(OC)c([N+](=O)[O-])c2)c1 33778585 LZOYQHUQZIGKAU-JAIQZWGSSA-N 466.472 1.391 50 40 JDGB O=C(CN1CCOCC1)N/N=C/c1cc(Br)cc(I)c1O 408735014 JHSOGFDCPHANIJ-FRKPEAEDSA-N 468.089 1.542 50 40 JDGB COCc1cc(C)n(CC(=O)N/N=C\c2ccc(SCCO)c([N+](=O)[O-])c2)c(=O)c1C#N 32124676 JCJQMEGIBXMQLF-YVNNLAQVSA-N 459.484 1.318 50 40 JDGB COc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCC(=O)O 408986371 BXTRPQOYFZGAAK-KYEFCJKTSA-N 495.492 1.870 50 40 JDGB COC(=O)C1=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 2223905 SRKQWRGMYXJBBK-RQRMZWKBSA-N 475.526 1.528 50 40 JDGB Cn1nc(C(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)c2ccccc2c1=O 9284417 JPCWJLPZYLZSSJ-UHFFFAOYSA-N 494.533 1.490 50 40 JDGB O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)Cc1ccc(F)cc1 14244760 DPHTZFORTXFKMC-UHFFFAOYSA-N 463.409 1.783 50 40 JDGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1ccco1 408537160 USBCZBCOIIAHJJ-SUDUWZNWSA-N 466.191 1.499 50 40 JDGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2F)o1)C(=O)Nc1ccccc1 408783911 OQLFLNPVOOUIHV-MXAYSNPKSA-N 451.414 1.762 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c(OC)c1 408924472 OOWXNVSHZPUOMU-RTMRUCDXSA-N 497.464 1.933 50 40 JDGB O=C(COc1nsnc1N1CCOCC1)N/N=C/c1sc(=O)n(Cc2ccccc2)c1Cl 10059351 MWTCIWYHZVPLJB-UFFVCSGVSA-N 494.986 1.829 50 40 JDGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 13001300 YKLJMDVAQJAKSC-CYBMUJFWSA-N 469.466 1.214 50 40 JDGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(CCN1CCOCC1)c1ccc(F)cc12 13625823 PZMLMQCZLUAQNT-AREMUKBSSA-N 488.475 1.983 50 40 JDGB COc1ccc(C(=O)NNC(=O)COc2c(C)cccc2C)cc1S(=O)(=O)N1CCCC1 89688870 CPBHPQBBPWBKJH-UHFFFAOYSA-N 461.540 1.937 50 40 JDGB COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1 408666376 ZCMKBRSAVKSSJU-UHFFFAOYSA-N 461.858 1.850 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC)ccc1OCC(=O)Nc1ccc(F)cc1 409150578 CJRGGSGOOSZERU-VULFUBBASA-N 474.489 1.845 50 40 JDGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(C)(=O)=O)cc1 8721618 RFWBFZQJYLGRJN-DZUMZMOTSA-N 450.473 1.917 50 40 JDGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)C(=O)N/N=C/c1cc(OC)c(OC)cc1OC 9439419 FOWLLGJBAIQLHD-ASIDMNOUSA-N 474.470 1.339 50 40 JDGB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)cc1 408647985 WDFVNILKVKXGSS-UHFFFAOYSA-N 455.467 1.977 50 40 JDGB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1)NNC(=O)c1ccccc1 408650021 AFQDMNQETIDLSA-AWEZNQCLSA-N 493.303 1.491 50 40 JDGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NC1CCCC1 408767835 PNKBQUXEXVNQHF-NHDPSOOVSA-N 452.920 1.920 50 40 JDGB CC(=O)N[C@H](CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 9912511 FWSUCTDHNVXZMN-HXUWFJFHSA-N 458.540 1.500 50 40 JDGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1ccccc1 32576997 WPOGQODPQUJAID-STZFKDTASA-N 465.373 1.906 50 40 JDGB CN1CCC(=NNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)CC1 57352951 MQLPTKFYPHLRKI-UHFFFAOYSA-N 464.329 1.255 50 40 JDGB O=C(COc1ccc(/C=N\NC(=O)CC(=O)NCc2cccnc2)cc1)NCCc1ccccc1 58873274 URBDSJNQDURQGU-YKQZZPSBSA-N 473.533 1.976 50 40 JDGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](CC(=O)O)C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100781721 QKRDRBZKADKVFA-YLJQBZTBSA-N 499.513 1.562 50 40 JDGB biogenic COc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)C3=CCNC=C3)C(=O)c3ccccc32)cc1 101027863 ONQWXCUGRPBLGV-OOAXWGSJSA-N 464.503 1.618 50 40 JDGB COc1ccc(OC)c(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)c1 408682664 LDMYLCSZVYZUCF-MUEHPZDASA-N 485.320 1.651 50 40 JDGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 409123680 IBZKUACXZOIKCF-FSJBWODESA-N 464.519 1.645 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)ccc1OCc1ccc(F)cc1 409175634 TZMXRYREHHBSCU-JVWAILMASA-N 472.517 1.702 50 40 JDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)c(OC)c1OC 2340090 XTPHRHNFOPQSOB-FOKLQQMPSA-N 485.505 1.008 50 40 JDGB O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NNC(=O)c1ccc(F)cc1 3378528 AIVQHFDDAQSMBG-UHFFFAOYSA-N 475.454 1.515 50 40 JDGB CC(C)N1C(=O)/C(=N\NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccccc21 6171679 GMLYEYYTEIYZEJ-ATJXCDBQSA-N 456.524 1.597 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NNC(=O)c3ccccc3F)CC2)cc1C 9670783 KAEJPIJCJHEFSM-UHFFFAOYSA-N 491.541 1.848 50 40 JDGB COc1ccc(CC(=O)NNC(=O)COCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 9850175 CNIYPQQJFCZNGG-UHFFFAOYSA-N 474.945 1.404 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)NCc1ccccc1 409265780 PEBSHRGZSIHPCO-LDWYRGJHSA-N 482.537 1.526 50 40 JDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)c1 13131207 IDDGJLUTRJPTNV-SFHVURJKSA-N 495.989 1.931 50 40 JDGB C=CCN1/C(=N\C=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)S[C@H]2CS(=O)(=O)C[C@H]21 36597446 OFLMKAIZSDCAEC-HQKNOEFQSA-N 490.607 1.526 50 40 JDGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 3334925 VNFWVKFMSRHORH-UHFFFAOYSA-N 464.525 1.330 50 40 JDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 12576409 HYOUUGVWJWEILU-UHFFFAOYSA-N 481.600 1.393 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409154554 OMBNRBQTQPGFKJ-VULFUBBASA-N 470.526 1.932 50 40 JDGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 408782432 IBSLOKIHMYHIOL-CIAFOILYSA-N 451.501 1.637 50 40 JDGB CC(C)Oc1c(Br)cc(Br)cc1/C=N/NC(=O)Cn1[nH]nnc1=N 408972331 ASOVFMUMPQBVEK-YAXRCOADSA-N 461.118 1.548 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)CCc3c(C)nc4ncnn4c3C)C2)cc1 19596315 OOJBPQMRTXQWOZ-SFHVURJKSA-N 499.597 1.230 50 40 JDGB COc1ccc(/C(C)=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)cc1[N+](=O)[O-] 35190354 QJGZNXXUNCRUQE-NEZKYZOSSA-N 498.504 1.678 50 40 JDGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408650833 ACDXVOYNUKIZQP-YFYRFGBOSA-N 473.913 1.476 50 40 JDGB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccccc1 408656534 FHBMVAAYDOJKTF-GHIJRLNRSA-N 487.512 1.409 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)NCc1ccccc1 409265781 PEBSHRGZSIHPCO-ZTAUZCEESA-N 482.537 1.526 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 9544446 FBJZMWQODVFGDJ-KRWDZBQOSA-N 462.553 1.266 50 40 JDGB O=C(CNC(=O)c1cccc(OC(F)F)c1)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 13130492 CWDIMEGSKZRXJH-UHFFFAOYSA-N 499.474 1.915 50 40 JDGB O=C(CSn1nnnc1-c1ccccc1)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 408733696 ZWBHELJTMYHCLM-FYJGNVAPSA-N 468.499 1.732 50 40 JDGB COc1cc(C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)ccc1I 681313 LPUZTHCARIGDFX-AWQFTUOYSA-N 453.236 1.928 50 40 JDGB O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccncc1 8766118 GGMCVYXBXUDQGW-YBEGLDIGSA-N 456.505 1.863 50 40 JDGB O=C(CN1CCC(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)CC1)N/N=C/c1cccc([N+](=O)[O-])c1 16399740 UMUMATVHIAFSBM-RNIAWFEPSA-N 481.469 1.815 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1 20207435 ADNAZXDPFXZVAV-KGENOOAVSA-N 461.500 1.348 50 40 JDGB CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 3416750 ZBQMHBUOIAKLBS-UHFFFAOYSA-N 465.528 1.818 50 40 JDGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1 408681362 HXOGZFDBFQJEJA-SPLFTWIJSA-N 469.244 1.656 50 40 JDGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)N3CCCCC3)NC(=O)[C@@H]2C(=O)OC)cc1 409313311 PEPCYSGMBKJLQL-RTBURBONSA-N 471.535 1.957 50 40 JDGB O=C(Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O)NNC(=O)c1ccco1 10162810 USKLOVZYSDKCTL-UHFFFAOYSA-N 498.499 1.511 50 40 JDGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccccn2)c(OC)c1 16682497 JFSIKMSTALGYKI-PXYXSCDOSA-N 467.482 1.810 50 40 JDGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3C[C@@H](O)C[C@H]3C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 217486804 ICVRXJQFTIXGAJ-PIGPHGNSSA-N 497.541 1.564 50 40 JDGB COc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)c2cc(C)oc2C)cc1 13138082 UCGGHJOHMVRKMF-QGZVFWFLSA-N 455.558 1.766 50 40 JDGB O=C(O)c1ccccc1C(=O)N[C@H](Cc1cccc(NP(=O)(N2CC2)N2CC2)c1)C(=O)O 104392881 RYRNSNWPFLNUTP-GOSISDBHSA-N 458.411 1.962 50 40 JDGB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1[N+](=O)[O-] 408673324 ZZUGAJPLNXEAOL-AWEZNQCLSA-N 474.857 1.914 50 40 JDGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccc(Br)c2)c2ccccc21 9330620 UDEJHTWFGKKZIK-MOHJPFBDSA-N 473.283 1.219 50 40 JDGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1ccccc1 408529735 DAUQAEWLYBHPCM-ANKPHQHTSA-N 476.230 1.906 50 40 JDGB O=C(CNC(=O)c1ccncc1)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 1307169 QHQLTRXPMNONFI-UHFFFAOYSA-N 481.104 1.809 50 40 JDGB CC1(C)O[C@@H]2O[C@@H](C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 8399526 WXWPSJSWPSNOHC-HBPKQKSZSA-N 491.324 1.916 50 40 JDGB COc1ccc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1S(=O)(=O)N1CCOCC1 8686228 KETNSJXBNIROTI-UHFFFAOYSA-N 498.517 1.715 50 40 JDGB Cc1cc(C)c2c(N)c(C(=O)NNC(=O)CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)sc2n1 9638405 USDTWCHWVPRRQR-QHCPKHFHSA-N 494.533 1.486 50 40 JDGB COc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)c1O 16187116 ATVNACYITVTULG-VXLYETTFSA-N 456.318 1.934 50 40 JDGB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CS[C@@H]1CCCCO1)C(=O)NN 6075216 JGYLWJRNTLNAQJ-RCCFBDPRSA-N 466.604 1.857 50 40 JDGB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NNC(=O)c1ccncc1 9634907 PFFYJWGZMYNBRZ-UHFFFAOYSA-N 452.492 1.916 50 40 JDGB CC1(C)C(C#N)=C(SCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)NC(=O)[C@H]1C#N 12699890 YTYGOJHXTKUFDC-JKSUJKDBSA-N 458.565 1.971 50 40 JDGB Cc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(C)(=O)=O)c(C)c1 20208186 UEBVDINZWOSBGF-OEAKJJBVSA-N 489.554 1.965 50 40 JDGB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H](C)Oc3ccccc3F)c2)C[C@H](C)O1 34797441 QKOBKWGCGQOBGA-HRCADAONSA-N 479.530 1.852 50 40 JDGB CCOc1cc(/C=N\NC(=O)COCC(=O)N/N=C\c2ccc(O)c(OCC)c2)ccc1O 104166702 QTYQHIINGVQSBJ-CBSQCECLSA-N 458.471 1.512 50 40 JDGB O=C1NC(=O)N(c2ccc(I)cc2)C(=O)/C1=C/NNC(=O)c1ccccc1 2278866 JRKCOMZJEQBPER-GXDHUFHOSA-N 476.230 1.693 50 40 JDGB CN(Cc1c(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)nnn1-c1nonc1N)c1ccccc1 9293448 UOZUFRPBIQIXEA-BHGWPJFGSA-N 491.468 1.096 50 40 JDGB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)c1OC 16094911 UZGZXCBSIXYWJM-VOTSOKGWSA-N 452.510 1.975 50 40 JDGB COC(=O)C1=c2s/c(=C\c3ccccc3OC)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1OC 989331 CDYNTXSYJYQWBQ-NURJGKTBSA-N 475.526 1.528 50 40 JDGB CS(=O)(=O)N(CCC#N)Cc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)o1 59087275 JKPWQUOJDSAWEM-MHWRWJLKSA-N 456.480 1.907 50 40 JDGB CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc(O)c(OC)c3)nnn2-c2nonc2N)c1 1871847 CUUVTDKKUZLIFO-FOKLQQMPSA-N 464.442 1.776 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1ccc2c(c1)OCO2 9291475 XIEOPYZDBOTODW-ZMOGYAJESA-N 475.469 1.752 50 40 JDGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C/c1ccco1 36006952 SWRAGCLZHDIIPC-XDHOZWIPSA-N 455.334 1.499 50 40 JDGB CCN(CC)C(=O)CNS(=O)(=O)c1ccccc1C(=O)N/N=C/c1ccc(OC)c(OC)c1 95481764 PAZACANKQIKMMR-OEAKJJBVSA-N 476.555 1.614 50 40 JDGB O=C(O)CC[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100747353 NRXFVCDLBRGEDJ-LPFUTYDGSA-N 453.083 1.082 50 40 JDGB CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1 408651774 DVRWGWAZVFLFBS-GOSISDBHSA-N 467.478 1.611 50 40 JDGB CCOc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1O 408732359 VCRYQPULGSAQBX-SRZZPIQSSA-N 470.467 2.496 50 40 JDGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC 409028417 NQFGIHCEKITUCC-DEDYPNTBSA-N 450.473 1.918 50 40 JDGB O=C(COC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)NNC(=O)c1ccccc1 408668568 VCSUBISBNQIRRK-MRXNPFEDSA-N 451.435 1.080 50 40 JDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc(OC)c1OC(C)=O 13804834 BNODYHYFRQSWAO-LSFURLLWSA-N 498.481 1.667 50 40 JDGB O=C(NNC(=O)c1ccc2c(c1)C(=O)N(CCCN1CCOCC1)C2=O)c1cccc(Cl)c1 25778149 UCBFXUPUNFTLDM-UHFFFAOYSA-N 470.913 1.733 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C\c2cccc(O)c2)c1CN1CCCc2ccccc21 34780433 VCZGIFUPDIPISB-MSXFZWOLSA-N 459.470 1.655 50 40 JDGB COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1 408685693 QZZUGTNBTNBRIV-HPKFOSBRSA-N 455.294 1.643 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 9544442 FBJZMWQODVFGDJ-QGZVFWFLSA-N 462.553 1.266 50 40 JDGB COc1cc(/C=N/NC(=O)CCc2n[nH]c(=O)[nH]c2=O)ccc1OCc1ccc(Cl)cc1 943095 HJSBWVXYRIFJEJ-FOKLQQMPSA-N 457.874 1.782 50 40 JDGB CN(C)S(=O)(=O)c1cccc(C(=O)NN[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)c1 3375208 VNVLZFZALCXXNS-INIZCTEOSA-N 450.904 1.157 50 40 JDGB CC(C)[C@H](NC(N)=O)C(=O)NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 9285794 VCHYQDJHGHSYJX-SFHVURJKSA-N 467.555 1.867 50 40 JDGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1 58873868 NTWFJZJCIWHPCL-YBNTXHARSA-N 454.483 1.458 50 40 JDGB O=C(NNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(S(=O)(=O)N2CCOCC2)c1 9634915 ICNHKLDCNYIZEH-UHFFFAOYSA-N 468.875 1.344 50 40 JDGB COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1 408658775 RHTYFLWJBXQMTN-AWEZNQCLSA-N 473.869 1.484 50 40 JDGB O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1)NCc1ccccc1 409254890 JPELBTDODONDLR-LZKBWWOWSA-N 472.929 1.781 50 40 JDGB COc1ccc(CCNC(=S)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 9463651 NKKMGYUQVXXRHX-UHFFFAOYSA-N 478.596 1.068 50 40 JDGB COCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 9187224 QXCDEOCGUJPBQP-JZJYNLBNSA-N 464.478 1.900 50 40 JDGB CC(C)(C)C(=O)N1CCC(C(=O)NNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CC1 14244779 IUNNODTZERQMEB-UHFFFAOYSA-N 472.567 1.781 50 40 JDGB CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 16692782 FDPVKFNIWWEHBT-LPYMAVHISA-N 465.528 1.882 50 40 JDGB C=CCn1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nnc1[C@@H]1CCS(=O)(=O)C1 25206404 XZAYTWVHSIEVAI-CYBMUJFWSA-N 453.521 1.059 50 40 JDGB CCc1cccc(N2C[C@H](C(=O)NNC(=O)c3sc(N4CCOCC4)nc3C)CC2=O)c1 32755472 PLSZGKZCHYTMTJ-MRXNPFEDSA-N 457.556 1.665 50 40 JDGB CC(=O)Nc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1 2450338 YJLDTWHDIQJLIK-NUGSKGIGSA-N 475.425 1.351 50 40 JDGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 408537053 UKYKLINJYAXQOZ-UMXKZIAQSA-N 474.227 1.972 50 40 JDGB COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(I)c1OC(C)=O 408763507 SNVVJLOQBJEDEP-NTUHNPAUSA-N 456.236 1.991 50 40 JDGB NC(=O)c1ccccc1NCc1c(C(=O)N/N=C/c2c(F)cccc2Cl)nnn1-c1nonc1N 2450858 AOZTXAJSGVWCFN-MWRNPHMMSA-N 498.866 1.500 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 13788407 YUDVREBWLOBEAT-LSHDLFTRSA-N 477.397 1.690 50 40 JDGB CSCC[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)Cc1nc2ccccc2n1C 9337956 DEMFOYIOKFBCKS-QGZVFWFLSA-N 493.586 1.503 50 40 JDGB O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1 9973317 WDPIHOYEGTXGQT-PMACEKPBSA-N 476.441 1.983 50 40 JDGB COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCC(N)=O 408971933 MFIHTCFMCZQOAE-SIQOIFSASA-N 484.553 1.928 50 40 JDGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)cc2)c1 409252213 CSNCXXHWPSFERS-HMHIXTCJSA-N 454.483 1.458 50 40 JDGB CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 12803491 JYXXMUVCRZPIMN-UHFFFAOYSA-N 467.573 1.085 50 40 JDGB COc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1S(=O)(=O)N1CCCCCC1 12804371 SFZGGCLBBAQTGB-KRWDZBQOSA-N 473.617 1.366 50 40 JDGB CCn1nc(C(=O)NNC(=O)[C@H](NS(=O)(=O)c2ccccc2)C(C)C)c2ccccc2c1=O 12817331 UKAXJCKDRXIZBU-GOSISDBHSA-N 471.539 1.181 50 40 JDGB Cc1ccc(CN2C[C@H](C(=O)NNC(=O)[C@@H]3CC(=O)N(Cc4ccc(C)cc4)C3)CC2=O)cc1 14139532 CIOAMLFGGZEVEA-FGZHOGPDSA-N 462.550 1.848 50 40 JDGB O=C(CCCC(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1)NNC(=O)Nc1cccc([N+](=O)[O-])c1 104081991 NNDHOMHHCMYIPO-UHFFFAOYSA-N 488.417 1.679 50 40 JDGB CCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)cc1 408648046 WYIRWPCQNZJPBT-UHFFFAOYSA-N 455.467 1.977 50 40 JDGB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1)NNC(=O)c1ccccc1 408650023 AFQDMNQETIDLSA-CQSZACIVSA-N 493.303 1.491 50 40 JDGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3cc(O)nc(O)n3)s2)cc1 408730496 GWDCKFTWUDEPPW-SRZZPIQSSA-N 470.515 1.531 50 40 JDGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cccnc1 1529544427 FJZLCLBIQONIPU-VWXZLZIGSA-N 453.524 1.967 50 40 JDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c1 20213704 ZNTAZYUIBMXGFM-AFUMVMLFSA-N 482.518 1.979 50 40 JDGB CCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1 408659484 JVHDPFCGTNATKD-VTAJJLHNSA-N 497.331 1.811 50 40 JDGB O=C(CCC(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)NCc1ccccc1 408666104 NUTPBWCUSBKEII-UHFFFAOYSA-N 462.300 1.850 50 40 JDGB N#CC1=C(S)N([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C(c2ccccc2)=C[C@@H]1c1ccccc1 5536922 LVMVPMRIRRYZFF-WAMHVJGZSA-N 452.532 1.592 50 40 JDGB Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1S(=O)(=O)N1CCOCC1 12950716 UPLFSOZJUPQGIX-HNNXBMFYSA-N 465.503 1.384 50 40 JDGB O=C1NC(=O)N(c2ccc(I)cc2)C(=O)/C1=C/NNC(=O)c1ccccc1O 13810371 VAIULGVDMMVOPG-UKTHLTGXSA-N 492.229 1.398 50 40 JDGB COc1cc(C(=O)NNC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc(OC)c1OC 27569844 ASMHDWJRNILEOA-MRXNPFEDSA-N 470.526 1.824 50 40 JDGB CCOC(=O)NN(CCOS(=O)(=O)c1ccccc1)CCOS(=O)(=O)c1ccccc1 104119945 LHTHKTKAAILJEU-UHFFFAOYSA-N 472.541 1.761 50 40 JDGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)c1 408644927 IYUSXNYTCFHSJZ-UHFFFAOYSA-N 458.427 1.717 50 40 JDGB C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)ccc2Cl)C[C@@H](C)O1 12778825 SNDNBDIGPDPRMA-FMKPAKJESA-N 494.035 1.244 50 40 JDGB Cn1c(=O)c2ncn(CC(=O)N/N=C/c3ccc(-c4cccc(Br)c4)o3)c2n(C)c1=O 16363796 OFDQECGMQVEEJB-NUGSKGIGSA-N 485.298 1.607 50 40 JDGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1[N+](=O)[O-] 408682969 MADHHOICJKDESK-LFYJYPCRSA-N 484.292 1.851 50 40 JDGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NC3CCCC3)o2)cc1 408769647 YHUHXWBOJSGJNW-WGARJPEWSA-N 497.508 1.220 50 40 JDGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)NCCc3ccccc3)o2)cc1 408775568 ISGUDHLCWVAKQZ-MYYYXRDXSA-N 468.535 1.876 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCC(=O)N1CCCC1 409153217 LXOXUGOKQLMMGP-WGOQTCKBSA-N 452.511 1.505 50 40 JDGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCC3)cc2)cc1OC 409259966 ILIZXDRLIAZVIE-JVWAILMASA-N 482.537 1.514 50 40 JDGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)NCCOC)NC(=O)[C@H]2C(=O)OC)cc1Cl 409317175 PJXYXMHPTNCQFH-ROUUACIJSA-N 481.958 1.972 50 40 JDGB Cc1nc(C)c(NC(=O)NNC(=O)Cc2cccn2C)cc1NC(=O)NNC(=O)Cc1cccn1C 102928335 PMUXRBQFXZLNEL-UHFFFAOYSA-N 495.544 1.166 50 40 JDGB COc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 408786385 JBXBKKCWNBFCRO-XKZIYDEJSA-N 456.480 1.856 50 40 JDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 408866708 IBTIOMUPQNWGFC-MXAYSNPKSA-N 492.448 1.840 50 40 JDGB CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(OC)cc1 409163738 XDHIBDZKOVBGMA-LSHDLFTRSA-N 463.288 1.671 50 40 JDGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)c1O 1875802 KFPWZZLNJUAPEY-FOKLQQMPSA-N 469.506 1.475 50 40 JDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc1OC 3663315 XKIMDDLRVDDWSX-LSHDLFTRSA-N 479.413 1.589 50 40 JDGB Cc1cc(C)c(C)c(S(=O)(=O)NCCCC(=O)NNC(=O)Cn2nnc(-c3ccccc3)n2)c1C 9245279 QBCUCPKLYNALMV-UHFFFAOYSA-N 499.597 1.480 50 40 JDGB Cc1ccc(S(=O)(=O)OC[C@H]2OCO[C@H]3[C@H]2OCO[C@H]3CI)cc1 5732502 GNAYGCDTBNSBNU-YJNKXOJESA-N 470.281 1.618 50 40 JDGB CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)CC1 13658429 XWDRUCBKYJIGRS-ZSFFSCSXSA-N 450.543 1.347 50 40 JDGB CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)CN2CCOCC2)cc1OCC 59247065 BCVOZPRWWFDQHZ-NHDPSOOVSA-N 472.336 1.572 50 40 JDGB O=C(N[C@H](C(=O)N/N=C/c1ccc(O)cc1O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 9065435 GULJHSFZGTYVKV-LHXREVONSA-N 457.446 1.956 50 40 JDGB O=C(NNC(=O)c1cc(=O)[nH]c(=O)[nH]1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 9255239 XILDNYKDEYZHMC-UHFFFAOYSA-N 498.304 1.246 50 40 JDGB CCOc1cccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(OC)ccc2OC)c1O 16693305 SZRQNWIEYFRWSB-MTJSOVHGSA-N 451.501 1.579 50 40 JDGB O=C(CCCC(=O)N/N=C\c1cc([N+](=O)[O-])ccc1O)N/N=C\c1cc([N+](=O)[O-])ccc1O 53623073 NSIWSAFBWGWORD-JTMCVSSMSA-N 458.387 1.685 50 40 JDGB C[C@H]1CN2CCO[Si](CCSCC[Si]34OCCN(CCO3)C[C@H](C)O4)(OCC2)O1 195804461 FSCXLTOPNPBUCN-ROUUACIJSA-N 464.733 1.132 50 40 JDGB COc1ccc(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(C)(=O)=O)cc1OC 20211315 DVNKDTXHGZGAAJ-WSDLNYQXSA-N 481.527 1.646 50 40 JDGB COc1cc(C(=O)NNC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc(OC)c1OC 27569848 ASMHDWJRNILEOA-INIZCTEOSA-N 470.526 1.824 50 40 JDGB Cc1c(C(=O)NNC(=O)c2ccccn2)sc2ncc(C(=O)NNC(=O)c3ccccn3)cc12 102800032 FWFSIFQSRBJWFH-UHFFFAOYSA-N 475.490 1.544 50 40 JDGB C[C@@H](/C(=N/NC(=O)C(N)=O)c1c(Cl)ccc(Cl)c1O)[C@@]1(O)C(=O)Nc2ccccc21 5813625 XCMZQLSKBKYPEW-SLMUDLARSA-N 451.266 1.481 50 40 JDGB COc1cccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1OCC(=O)NCc1ccccc1 408606958 BIBGHNWIHPVPFT-FBBDWWHMSA-N 468.510 1.136 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)N1CCOCC1 409268621 WQYZYQIBBMODTN-ZMOGYAJESA-N 458.446 1.161 50 40 JDGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)cc1 408881528 MRYRSSXHRNYVIE-WGARJPEWSA-N 477.477 1.940 50 40 JDGB Cc1cc(C)c2c(N)c(C(=O)NNC(=O)CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)sc2n1 9638410 USDTWCHWVPRRQR-HSZRJFAPSA-N 494.533 1.486 50 40 JDGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 409267473 VCNYSVYBJPNFOO-JVWAILMASA-N 454.527 1.763 50 40 JDGB O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 9631346 GQMDKOWMJIZYIB-INIZCTEOSA-N 492.579 1.547 50 40 JDGB COc1ccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1OC 36006823 UBKKWPWTTNEXKH-IWIPYMOSSA-N 490.582 1.477 50 40 JDGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1cc(Br)cc(Br)c1O 3090995 FPUDVCCTTLBDQR-HAVNEIBRSA-N 486.084 1.535 50 40 JDGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(O)nn3)cc2)cc1 17399431 JMMHKLHZWZEVFD-UHFFFAOYSA-N 457.468 1.457 50 40 JDGB CCN1C(=O)/C(=N\NC(=O)CCC(=O)N/N=C2/C(=O)N(CC)c3ccccc32)c2ccccc21 100192437 XKQJLVBDKDVIFK-KKTFQPMKSA-N 460.494 1.541 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccc(F)cc1 409264333 OWENZYNNFMCFEX-ROJKJRQJSA-N 472.473 1.597 50 40 JDGB CCOC(=O)COc1cc(Br)c(/C=N\NC(=O)CN2CCOCC2)cc1OC 59246867 NTTUYVIYMUMMJA-JMIUGGIZSA-N 458.309 1.182 50 40 JDGB O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)NNC(=O)c1ccc(Br)cc1 408655741 LXZUPEUJDSOCHS-CQSZACIVSA-N 466.332 1.935 50 40 JDGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)OC)cc2)S(C)(=O)=O)cc1 408908087 TUTARKVBDUWQRA-BRABVMKYSA-N 477.539 1.942 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c1-c1ccc([N+](=O)[O-])cc1 1878218 LHCZSNMYCTUERG-AWQFTUOYSA-N 464.358 1.480 50 40 JDGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)c1 2620966 UUWFPEXVDWROQD-UHFFFAOYSA-N 493.501 1.807 50 40 JDGB COc1cc(/C=C/C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)ccc1OCC#N 2628925 KOLZTQJUMCBOES-YRNVUSSQSA-N 472.523 1.387 50 40 JDGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(=O)(=O)c2ccccc2)cc1 28212908 HVVSQPMBENXTBL-CVKSISIWSA-N 496.545 1.905 50 40 JDGB Cc1ccc(N2C(=O)[C@@H](/C=N/NC(=O)COc3cccc(N(C)C)c3)C(=O)NC2=S)cc1 408759756 LBDLXMYVZXJGOL-KCDOPAPYSA-N 453.524 1.606 50 40 JDGB C=CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)Cn1nnnc1N 2188276 FOOLWFMBQYPJSP-UBKPWBPPSA-N 459.102 1.495 50 40 JDGB Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)COc2ccc(Br)cc2)cc1C 3423117 RWIDVNVZMYWKDU-UHFFFAOYSA-N 484.372 1.961 50 40 JDGB O=C(CNC(=O)c1ccc2c(c1)OCO2)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 8986955 OPTKUOSLDYBSAV-UHFFFAOYSA-N 484.472 1.854 50 40 JDGB COc1ccc(/C=N/OCC(=O)N/N=C2/C(=O)N(CN3CCN(C)CC3)c3ccccc32)cc1 22807853 JAUJEHYFOHHPPR-COLQZLLESA-N 464.526 1.118 50 40 JDGB Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2nc3n(c2n1)CCCCC3 22894473 YGEQGJWZPUINKA-UHFFFAOYSA-N 470.555 1.791 50 40 JDGB Cc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1[N+](=O)[O-] 408670389 POBDHANXUSQHOQ-CYBMUJFWSA-N 474.857 1.914 50 40 JDGB COC(=O)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)cc1 9308321 JTACYNZHMTYWJK-WYMPLXKRSA-N 481.517 1.548 50 40 JDGB Cc1cc(C)n(CC(=O)NNC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n1 13101343 GFFIEGPZCNEYAN-UHFFFAOYSA-N 481.884 1.688 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21)c1ccccc1 19954062 GCWXJWOVFPUHEK-UHFFFAOYSA-N 451.302 1.688 50 40 JDGB Cc1cc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)no1 101052514 VSVRKMIEBXLUGO-XQBBVLOMSA-N 461.110 1.699 50 40 JDGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 408972736 VXSBICQQWSLLDL-VEDIRDOVSA-N 454.527 1.919 50 40 JDGB COCc1cc(C)n(CC(=O)N/N=C\c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)c(=O)c1C#N 409008539 XOLMBWKAVQQRDS-KALUYTGESA-N 492.444 1.982 50 40 JDGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OCC)c1 409164269 FVYYGMIQEDDPNU-AFUMVMLFSA-N 454.483 1.864 50 40 JDGB O=C(NNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1csc(N2CCOCC2)n1 12577330 DNJZYUPNQHKWMC-UHFFFAOYSA-N 461.519 1.432 50 40 JDGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(OC)c2OC)c1 16187438 QYFIYIUZYZFEFB-MTJSOVHGSA-N 451.501 1.492 50 40 JDGB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1 5028644 QLCVNZBNTGHOQV-UZLBHIALSA-N 498.492 1.922 50 40 JDGB C[C@@H](NC(N)=O)C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 9509562 CRXPNZPGULBHRY-SECBINFHSA-N 474.326 1.612 50 40 JDGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 38168885 RRTUPLLYDAIHIU-IFRROFPPSA-N 467.358 1.341 50 40 JDGB COc1cc(OC)cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c1 14094842 NHFDOPIQPRTNJX-GJZGRUSLSA-N 477.539 1.577 50 40 JDGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)CC2=O)cc1 9378017 ITNZLDIOZJJCDU-QGZVFWFLSA-N 458.540 1.124 50 40 JDGB C[C@H](CCC(=O)ON1C(=O)C[C@H](S(=O)(=O)O)C1=O)SSc1ccncc1C(=O)N(C)C 306146178 BZNFRACCQKDBEB-MFKMUULPSA-N 491.569 1.166 50 40 JDGB COc1ccc(CC(=O)NNC(=O)COc2c(C)cccc2C)cc1S(=O)(=O)N1CCOCC1 9315338 VLPLXIYLATTYQV-UHFFFAOYSA-N 491.566 1.102 50 40 JDGB CC(=O)N[C@H]1[C@@H](OCCCCCCCl)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 9592223 YMILTQQBIHTPST-MDMHHNQBSA-N 465.927 1.458 50 40 JDGB C[C@H](C(=O)NNC(=O)C[C@H]1CCS(=O)(=O)C1)n1c(-c2ccccc2)nc2ccccc2c1=O 9971149 ZRPYXFHXGMDGSM-HZPDHXFCSA-N 468.535 1.597 50 40 JDGB O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1O)c1ccccc1 9973760 APLKZXVYGUMIPY-PMACEKPBSA-N 492.440 1.689 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCC(=O)Nc1ccc(CC)cc1 409164643 LKCWMHDPMHFAIB-CVKSISIWSA-N 470.526 1.878 50 40 JDGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccc3c(c2)OCCO3)c1 12628696 FVWWXYCPIITHTM-DHRITJCHSA-N 456.455 1.934 50 40 JDGB NC(=O)COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 16478983 FXTPNOMLGGZCCO-WPWMEQJKSA-N 494.573 1.934 50 40 JDGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCC(=O)OC 408995547 JZBJDOVURFJFKI-JMIUGGIZSA-N 458.309 1.182 50 40 JDGB CCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1OC 9307856 XYMLWLTVXCMEHF-YSURURNPSA-N 492.452 1.799 50 40 JDGB C[C@H](NC(N)=O)C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 13138363 CRXPNZPGULBHRY-VIFPVBQESA-N 474.326 1.612 50 40 JDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2F)c(OC)c1 409154822 HNJLMGYURUOJSI-NUGSKGIGSA-N 481.278 1.810 50 40 JDGB O=C(CNC(=O)c1ccc2c(c1)OCO2)NNC(=O)c1nn(-c2ccc(Cl)cc2)cc1O 9631955 OLAZIZYQQFSZJN-UHFFFAOYSA-N 457.830 1.151 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)c1ccccc1Br 409183618 DXWFXTXZDXRAJW-UFFVCSGVSA-N 483.344 1.230 50 40 JDGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCOCC2)cc1 409266164 PPVZVWLKIBRLGM-PCLIKHOPSA-N 468.510 1.802 50 40 JDGB O=C(COC(=O)c1ccccc1NCCO)NNC(=O)COc1ccc(Br)cc1 8747481 OCSWEPSKKCZKOC-UHFFFAOYSA-N 466.288 1.237 50 40 JDGB O=C(CCNS(=O)(=O)c1cccs1)NNC(=O)CSc1cccc2cccnc12 9544350 IXIYANICJHVMKX-UHFFFAOYSA-N 450.567 1.904 50 40 JDGB COc1cccc(-c2c(C(=O)N/N=C/c3ccc(OC)c(OC)c3)nnn2-c2nonc2N)c1 13805146 GYIQUJLCWZKEMS-FOKLQQMPSA-N 464.442 1.689 50 40 JDGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1)S(C)(=O)=O 28213371 ZXPWFKUAHJMWRF-ZVHZXABRSA-N 490.582 1.905 50 40 JDGB COc1ccccc1-n1c(C)nnc1SCC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 9581188 HQJZCFJKQRENIK-UHFFFAOYSA-N 465.495 1.374 50 40 JDGB Cc1ccc(CN2C[C@H](C(=O)NNC(=O)c3sc(N4CCOCC4)nc3C)CC2=O)cc1 9721718 LLUZXBVAXIKRTH-QGZVFWFLSA-N 457.556 1.406 50 40 JDGB Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1 13062681 VQSDGWFOVGKPJG-BOPFTXTBSA-N 485.298 1.747 50 40 JDGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(CSc3nccn3C)o2)c1 40074805 OSIMRPPPJPOYCW-UHFFFAOYSA-N 463.541 1.631 50 40 JDGB O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NNC(=O)CN1C(=O)COc2ccccc21 12885656 IHXDDERMBRUMKP-MRXNPFEDSA-N 460.899 1.716 50 40 JDGB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNC(=O)c1ccccc1 408667856 TXVLNEVIKLVGLN-QHAWAJNXSA-N 475.501 1.553 50 40 JDGB COc1ccc(OC)c(NC(=O)C(=O)NNC(=O)COc2ccc(Br)cc2C)c1 8445682 OBVAHAHVPXKEEI-UHFFFAOYSA-N 466.288 1.940 50 40 JDGB COc1cc(N/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc(OC)c1OC 8991589 ZMFOBFOOHNMBOO-FBKCMUNRSA-N 461.496 1.404 50 40 JDGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c1 13021182 BFXNXDRMSYPRDA-HNNXBMFYSA-N 464.569 1.312 50 40 JDGB COCc1cc(C)n(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2N2CCCC2)c(=O)c1C#N 409008094 TVBIRAARACVXQR-MSXFZWOLSA-N 452.471 1.834 50 40 JDGB COCc1c(Br)c(C)n(CC(=O)NN=C2C(=O)Nc3ccccc32)c(=O)c1C#N 409219853 VOPCNBHGAUCGSN-UHFFFAOYSA-N 458.272 1.410 50 40 JDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc(Br)c1O 1890359 VIGFWTUKDQHGGU-KPSZGOFPSA-N 465.268 1.597 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)N1CCOCC1 409154812 PCZVBNIJZPPWBK-AFUMVMLFSA-N 468.510 1.638 50 40 JDGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)C(=O)c3c(C)nn(C)c3C)cc2)cc1 8824815 YEWHQURLZGKJBE-UHFFFAOYSA-N 499.549 1.880 50 40 JDGB CCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc1 13512881 ZZPVGUIXCMBSEB-SSDVNMTOSA-N 463.414 1.970 50 40 JDGB O=C(CCl)Nc1nnc(CCOCCOCCc2nnc(NC(=O)CCl)s2)s1 105622270 RSILTAMKYIAQPH-UHFFFAOYSA-N 469.376 1.563 50 40 JDGB COCCCNC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408866436 HIYRRUBJRZYXRQ-GATIEOLUSA-N 498.323 1.444 50 40 JDGB COc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1S(=O)(=O)NCCN(C)C 13164584 MRTHPQNCRFTFCN-UHFFFAOYSA-N 499.387 1.372 50 40 JDGB CC(C)CCS(=O)(=O)CC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 58232074 JNSNNARUJAZQKK-UHFFFAOYSA-N 470.555 1.610 50 40 JDGB COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 408666254 XTGVEMVEVQNMPZ-UHFFFAOYSA-N 461.858 1.850 50 40 JDGB COc1ccc(OC)c(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)c1 2416079 SLYUWMVSURWUSW-WYMPLXKRSA-N 477.485 1.650 50 40 JDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCCC2)cc(OC)c1OC 8406668 FBKXIZLSKRYQAO-WYMPLXKRSA-N 499.532 1.398 50 40 JDGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1OC 33652936 SYXJAXADTVOGCM-DJKKODMXSA-N 456.864 1.694 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCC(=O)Nc1cc(C)ccc1C 409161194 ZEUMNNNBQOZGDA-VULFUBBASA-N 470.526 1.932 50 40 JDGB COc1ccc(C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1S(=O)(=O)N1CCOCC1 3364814 QAAFVJIRAWDSJQ-CQSZACIVSA-N 493.607 1.977 50 40 JDGB COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 3442140 XTOBQDYDOCQSDF-UHFFFAOYSA-N 452.217 1.984 50 40 JDGB NS(=O)(=O)c1ccc(NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c([N+](=O)[O-])c1 9613472 ZFDIGBVILYFCJC-UHFFFAOYSA-N 497.536 1.861 50 40 JDGB Cc1cccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)c1 408656168 MRQQZMKHRORZBG-HNNXBMFYSA-N 472.885 1.146 50 40 JDGB COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1 408678059 CMJIKCXHGDXFIE-OZJSDOOGSA-N 454.273 1.757 50 40 JDGB COc1ccc(C(=O)NNC(=S)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)NC(C)C 15912825 CJMWGMBSWABHRS-UHFFFAOYSA-N 480.568 1.420 50 40 JDGB CCn1nc(C(=O)NNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc2c1=O 17189033 MFMAALIRRQCEJO-UHFFFAOYSA-N 465.485 1.869 50 40 JDGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1OC 20211363 TZORLTYRFLCUSI-WSDLNYQXSA-N 495.510 1.774 50 40 JDGB Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=S)NCc2ccc3c(c2)OCO3)cc1C 26851916 MFVKFFAMFOYHKP-UHFFFAOYSA-N 464.569 1.396 50 40 JDGB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)NNC(=O)c1ccccc1Br 97653887 PPJQLVYKWWACLA-GZTJUZNOSA-N 460.284 1.931 50 40 JDGB Cc1ccc(C)c(N2C(=O)C(=O)[C@@H](c3nc4ccccc4s3)/C(=N\NC(=O)NN)C2=O)c1 104277533 ZNYHPZWSURWMDY-BDKXHVGHSA-N 450.480 1.668 50 40 JDGB COc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O 408684620 PKCHOLHYLOUJRN-HGDKLDNCSA-N 455.294 1.643 50 40 JDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NCCc3ccccc3)o2)cc1C 408866076 GFGYQZHINYFLRH-MWLSYYOVSA-N 489.532 1.960 50 40 JDGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)N2CCOCC2)c(OCC)c1 409156611 KYJDYUVUNRFOIL-FSJBWODESA-N 499.362 1.062 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)NCc1ccccc1 409258686 YXALMLCVKCNBRB-LQKURTRISA-N 484.553 1.772 50 40 JDGB N#CC1=C(N)n2c(s/c(=C\c3ccccc3[N+](=O)[O-])c2=O)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 1786458 MWOHUPUTVRGPOP-MAYQHFBPSA-N 472.442 1.678 50 40 JDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(Cn2cncn2)cc1 102739368 KRLIRDPWSAVRMK-IFQVXRHPSA-N 452.496 1.018 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC)ccc1OCC(=O)Nc1ccccc1 409166774 GNKUVJKQKFIKQL-MFKUBSTISA-N 456.499 1.706 50 40 JDGB N#CC(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)=C1Nc2ccccc2N1 3467792 BKQIXGQUBNYYHN-UHFFFAOYSA-N 468.491 1.706 50 40 JDGB CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 8399536 WXWPSJSWPSNOHC-UJHHCITNSA-N 491.324 1.916 50 40 JDGB COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@H](c1ccc(F)cc1)C=2C(=O)Nc1cccc(C)c1 8756045 JQCVVQCRHXKLMN-OLROSQPISA-N 490.516 1.549 50 40 JDGB COCCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)[C@@H](C(=O)OC)C(=O)N1 409324465 SYAJDJWZAGVYAK-QZTJIDSGSA-N 475.523 1.097 50 40 JDGB COc1ccc(Cl)cc1C(=O)NNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 2630797 QROOWKZHJMXGDW-UHFFFAOYSA-N 473.960 1.435 50 40 JDGB COC(=O)c1c(-c2ccc(OCC(=O)N/N=C/c3ccccn3)c(OC)c2)nc(=O)[nH]c1C 16249222 WWDSEKGKMHCZLV-BHGWPJFGSA-N 451.439 1.465 50 40 JDGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21 18284161 AXTLDWLYNPULAV-JVCXMKTPSA-N 484.512 1.975 50 40 JDGB CCC(=O)OC[C@H]1O[C@@H](n2nc(Br)c(O)nc2=O)[C@@H](Br)[C@H]1OC(=O)CC 35585693 LMKFFNJPJUYLNP-NLXIFRQRSA-N 499.112 1.042 50 40 JDGB C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C\C)C[C@](O)(CCl)[C@@H]1[C@H](OC(C)=O)C=C(C)[C@]21O 4995803 WVTMFOWXYVFVDE-NJPYXOBJSA-N 454.903 1.575 50 40 JDGB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NNC(=O)CN2CCCCCC2=O)c1 16240308 XETMAGAVYWTINU-UHFFFAOYSA-N 469.633 1.746 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(F)cc1 20211961 AZELBRKPQGHYJZ-LPYMAVHISA-N 479.490 1.487 50 40 JDGB Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1[N+](=O)[O-] 408687669 USLJDFRVRPFCIJ-WRJRQJQLSA-N 453.245 1.956 50 40 JDGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 409249541 JOUYHVFSFCYXAD-MFKUBSTISA-N 484.509 1.420 50 40 JDGB Cc1ccc(CN2C[C@@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)CC2=O)cc1 9911072 UGMNHRQFGHNRSQ-IBGZPJMESA-N 472.567 1.120 50 40 JDGB CCOc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OCC)cc2)C=3C(N)=O)cc1 12411692 QPGNVRAYTALTGB-OABJIQBASA-N 488.569 1.620 50 40 JDGB COc1cc(CC(=O)NNC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc(OC)c1OC 14791734 VTWCQCWSHDJJJC-UHFFFAOYSA-N 452.467 1.372 50 40 JDGB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)NNC(=O)c1ccccc1Cl 408672471 ZHQDYNXDHUCMIJ-LBPRGKRZSA-N 460.830 1.606 50 40 JDGB CCCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)cc1 2348945 GRBPTVKPEXVRHD-YDZHTSKRSA-N 453.507 1.771 50 40 JDGB COc1cc(C(=O)NCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc(OC)c1OC 9120543 MOXFEOCRWATUNU-UHFFFAOYSA-N 466.450 1.827 50 40 JDGB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)CSc1ccc(Cl)cc1 9545672 GEOVCIUGSJKLQW-LLVKDONJSA-N 452.945 1.707 50 40 JDGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)S(=O)(=O)c1ccccc1 28214960 ZPCSZXPOKCSPNB-CVKSISIWSA-N 496.545 1.905 50 40 JDGB O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C1\C(=O)Nc2ccc(Br)cc21 2289942 KVHHXJIVJQOXIO-OAHLLOKOSA-N 459.256 1.178 50 40 JDGB COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 9003829 IUPNHUWQAIQYOP-STTHAQSSSA-N 480.502 1.706 50 40 JDGB COc1cc(S(=O)(=O)NNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)ccc1NC(C)=O 13098942 TWKILHUKUBTVEO-UHFFFAOYSA-N 499.549 1.713 50 40 JDGB CCCn1c(N)c(C(=O)COC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c(=O)n(C)c1=O 13985043 FGDBEEMWIWBXHE-VCHYOVAHSA-N 469.542 1.947 50 40 JDGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)/C=C/c2ccc(OC)cc2)c2ccccc21 1906830 AIRWXFMKEHIZOB-GIWUWGCJSA-N 464.478 1.255 50 40 JDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)c(OC)c1 2372643 ZQUQYNPFKQFXGQ-WYMPLXKRSA-N 477.485 1.650 50 40 JDGB COc1ccc(C(=O)NNC(=O)CSc2nnc(COc3ccccc3OC)n2C)cc1 908181 VUZNVDLJKLSSRB-UHFFFAOYSA-N 457.512 1.965 50 40 JDGB CC1(C)O[C@H]2[C@@H](COC(=O)c3ccc([N+](=O)[O-])cc3)O[C@H](NC(=O)N(CCCl)N=O)[C@@H]2O1 5374522 YASNUXZKZNVXIS-BARDWOONSA-N 472.838 1.928 50 40 JDGB in-man COC(=O)c1cc(OC)c(OC)cc1N/C=C1\C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 8993272 CHKIKPGPKUTIGG-ATTDUZETSA-N 489.506 1.182 50 40 JDGB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNC(=O)c1ccccc1 408656533 FHBMVAAYDOJKTF-CWMMHYCISA-N 487.512 1.409 50 40 JDGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)ccc1O 408780055 QZVUHWABPGXDLC-CIAFOILYSA-N 451.501 1.724 50 40 JDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NCc3ccncc3)o2)cc1C 408870507 FWFQNPGZQPFNNA-MUXKCCDJSA-N 476.493 1.313 50 40 JDGB CCCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)[C@H](C(=O)OC)C(=O)N1 409321518 GVEQWBJTCVVRHS-ROUUACIJSA-N 459.524 1.860 50 40 JDGB CCOc1cc(/C=N/NC(=O)COCC(=O)N/N=C/c2ccc(O)c(OCC)c2)ccc1O 8935038 QTYQHIINGVQSBJ-ASIDMNOUSA-N 458.471 1.512 50 40 JDGB CCc1nc2ccccc2n1CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 9314294 SJIFMVUKGCZXHJ-UHFFFAOYSA-N 499.593 1.400 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)CCc3c(C)nc4ncnn4c3C)C2)cc1 19596314 OOJBPQMRTXQWOZ-GOSISDBHSA-N 499.597 1.230 50 40 JDGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(C)(=O)=O)cc1Cl 28213496 IRGMSULXWSKGAY-LSHDLFTRSA-N 468.919 1.129 50 40 JDGB O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(-n2cnnn2)cc1 9216582 BCDLNOGPZVDRNY-UHFFFAOYSA-N 469.527 1.302 50 40 JDGB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)c1csc(N2CCOCC2)n1 12804251 DLTQOYKSJUDLCP-UHFFFAOYSA-N 461.588 1.463 50 40 JDGB Cn1cc(Br)cc1C(=O)NNC(=O)CCCCCNC1=NS(=O)(=O)c2ccccc21 33234558 WOYXZXQEFWOZND-UHFFFAOYSA-N 496.387 1.848 50 40 JDGB COc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c(OC)c1 408685048 OKTLHJRTMUTTNF-OZJSDOOGSA-N 454.273 1.757 50 40 JDGB Cn1c(CC(=O)NNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)nc2ccccc21 9912256 DBRZOJVOVCBKBI-UHFFFAOYSA-N 461.569 1.426 50 40 JDGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 13001302 YKLJMDVAQJAKSC-ZDUSSCGKSA-N 469.466 1.214 50 40 JDGB C[C@H](CCC(=O)ON1C(=O)C[C@H](S(C)(=O)=O)C1=O)SSc1ccc([N+](=O)[O-])cn1 306146951 QGJALSNSJKAIFI-KOLCDFICSA-N 463.515 1.529 50 40 JDGB O=C(CN1CCOCC1)N/N=C\c1cc(Br)c(O)c(I)c1 408994880 HLOGMLOVXYNGDH-APSNUPSMSA-N 468.089 1.542 50 40 JDGB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)NNC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1 10400480 BQEGDLDYISQZPF-LBPRGKRZSA-N 458.496 1.703 50 40 JDGB COc1ccc(N2C(=O)C[C@H](NNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)C2=O)cc1Cl 102314213 RAAIIPDMGBMZOU-KRWDZBQOSA-N 494.957 1.230 50 40 JDGB CCN(CC)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2nncn2C)cc1 2452771 ZBXRICSIIUTHLD-LSHDLFTRSA-N 496.561 1.263 50 40 JDGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(OCC(=O)N(C)C)cc1 13010985 JKRTWUHUZYIUII-JJIBRWJFSA-N 488.566 1.329 50 40 JDGB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCC3)C1 17446206 OUGTXUZHGMUHPB-CQSZACIVSA-N 452.558 1.704 50 40 JDGB O=C(C[C@@H]1[C@]2([N+](=O)[O-])CN(CCBr)C[C@@]1([N+](=O)[O-])C=CC2=O)c1ccccc1 36033894 MTENKZVOGGZLEC-RYQLBKOJSA-N 452.261 1.756 50 40 JDGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](CC(=O)O)C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 72332940 QKRDRBZKADKVFA-FJCXCHNISA-N 499.513 1.562 50 40 JDGB C[C@H](Cn1cc(Br)cn1)C(=O)NNC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2 101114444 XNWLMWFLKFXRKU-JQHOLQAJSA-N 477.367 1.411 50 40 JDGB COc1cccc(C(=O)N/N=C\c2cc(I)c(OCC(N)=O)c(OC)c2)c1 409260693 UTMKFRQCGVBKEN-NKVSQWTQSA-N 483.262 1.936 50 40 JDGB COc1ccc(Cl)cc1C(=O)NNC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(Cl)cc1 9440305 OHTKTTOIWIOFJQ-HNNXBMFYSA-N 467.309 1.827 50 40 JDGB Cc1ccc(OCC(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1C 12992961 FQSANEHEPLKMBL-UHFFFAOYSA-N 470.551 1.802 50 40 JDGB O=C(CN1CCC(C(=O)N/N=C/c2ccc3c(c2)OCO3)CC1)N/N=C/c1ccc2c(c1)OCO2 8926108 ZPDYTTIPCCATPJ-KOZSXFMUSA-N 479.493 1.456 50 40 JDGB O=C(CC1CCCCC1)NCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 58225578 GRBATQRZFOHHAI-UHFFFAOYSA-N 450.561 1.319 50 40 JDGB Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 96997240 CFEUTKTZFRFHPO-UHFFFAOYSA-N 466.523 1.418 50 40 JDGB O=C(O)CC[C@H](C(=O)O)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 102972328 NRXFVCDLBRGEDJ-OLMHZXMOSA-N 453.083 1.082 50 40 JDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NCc3ccco3)o2)cc1C 408780580 FKXDZBUJCCGLMX-ZMFRSBBQSA-N 465.466 1.511 50 40 JDGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)N3CCCCC3)NC(=O)[C@H]2C(=O)OC)cc1 409313299 PEPCYSGMBKJLQL-MOPGFXCFSA-N 471.535 1.957 50 40 JDGB COC(=O)C1=c2s/c(=C/c3ccccc3OC)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1OC 989330 CDYNTXSYJYQWBQ-QDDTUJKSSA-N 475.526 1.528 50 40 JDGB N#C/C(=C\c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)C(=O)N1CCOCC1 9075490 ALEYDWCOEOVOKC-CZIZESTLSA-N 470.533 1.787 50 40 JDGB COc1ccc(C(=O)NNC(=O)COc2cccc(F)c2)cc1S(=O)(=O)N1CCCC1 12541131 JMWBBAHFYHWNLT-UHFFFAOYSA-N 451.476 1.459 50 40 JDGB N#CC(C(=O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)=C1Nc2ccccc2N1 34864531 GGKDEJLIHZQTTH-UHFFFAOYSA-N 468.495 1.743 50 40 JDGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 58882074 LXJFKADRKUPEKG-YMSFFTPVSA-N 468.510 1.848 50 40 JDGB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\NNC(=O)c2ccncc2)C1=O 408527240 DBBFMQSZLZDUSZ-GXDHUFHOSA-N 458.272 1.808 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccccc1C 409260243 NGLQNIQPONGSSS-NPSPNJCMSA-N 468.510 1.766 50 40 JDGB O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 9442296 MGWXBTLCCLRVAE-UHFFFAOYSA-N 498.483 1.681 50 40 JDGB CSc1nc2nc(C)c(CCC(=O)NNC(=O)c3csc(N4CCOCC4)n3)c(C)n2n1 21967459 QRVFPLZPXSQNHS-UHFFFAOYSA-N 476.588 1.150 50 40 JDGB Cc1cccc(C(=O)N[C@@H](C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(C)C)c1 26561339 QULPDLVGQSNVHN-OAQYLSRUSA-N 486.594 1.995 50 40 JDGB CCOc1cccc(/C=N/NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1O 36485118 BILVTGUCMXWASV-HZHRSRAPSA-N 460.556 1.556 50 40 JDGB Cc1cc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)no1 101052513 VSVRKMIEBXLUGO-BEXHAEOCSA-N 461.110 1.699 50 40 JDGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1cccc(OCC(N)=O)c1 408969269 KJIMLBOIUUADMF-SCRDLHCBSA-N 454.527 1.919 50 40 JDGB Cn1c(=O)[nH]c(=O)c2c1nc(SC[C@@H](O)CCl)n2Cc1cccc(Br)c1 655595 WGDNZPCRCUVXSE-NSHDSACASA-N 459.753 1.926 50 40 JDGB N#CC1=C(N)n2c(s/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=C(C#N)[C@H]1c1ccc([N+](=O)[O-])cc1 3169402 PDJPRLYVVSNLDI-MAYQHFBPSA-N 472.442 1.678 50 40 JDGB CC(=O)c1cccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)c1 408658160 IBWMZWJVKPQVRT-DJQNJWNESA-N 467.305 1.837 50 40 JDGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 12703040 AGKHEKIZWJDBDY-UHFFFAOYSA-N 475.615 1.772 50 40 JDGB COc1cc(C(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cc(OC)c1OC 26955019 JLNVSQMQDLPZMT-HSZRJFAPSA-N 470.482 1.249 50 40 JDGB COc1cc(/C=N\NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc(OC)c1OC(C)=O 111436438 NGQIZSUDYAHHGC-VROXFSQNSA-N 479.453 1.761 50 40 JDGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408533527 JZVZYUTVQJDOFS-PUCNKJDESA-N 453.499 1.880 50 40 JDGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)cc1 12881178 HPWHGQNDGFNDER-AWEZNQCLSA-N 451.501 1.496 50 40 JDGB CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)CN2CCOCC2)cc1OC 15019881 NTTUYVIYMUMMJA-KEBDBYFISA-N 458.309 1.182 50 40 JDGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 408669964 WMEVKEGFLLIMBU-LHVLRZJLSA-N 470.265 1.542 50 40 JDGB O=C(NN/C=C1\C(=O)N(c2ccc(I)cc2)C(=O)N=C1O)c1ccncc1 9334281 ZUOWDYJSJAUMSY-LCYFTJDESA-N 477.218 1.928 50 40 JDGB O=C(NNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1csc(N2CCOCC2)n1 62620969 KLXZBTGCJDKWSL-UHFFFAOYSA-N 492.333 1.274 50 40 JDGB COc1cccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)c1 408687074 UEHYDDWVHYVBTJ-HPKFOSBRSA-N 455.294 1.643 50 40 JDGB COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)c1 16187010 MLWHWQOFYGRSAM-CIAFOILYSA-N 451.501 1.492 50 40 JDGB CC(C)=NNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 19953476 BWOLTXXRBCOAAW-IBGZPJMESA-N 464.569 1.262 50 40 JDGB COc1ccc(CC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 33026772 FPKANQUSSORGGK-UHFFFAOYSA-N 455.920 1.368 50 40 JDGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1OCC(=O)NCc1ccccc1 408610241 MXQCWNHIFARAEF-MZJWZYIUSA-N 464.478 1.750 50 40 JDGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 2634589 MTNCHQROPNPGAU-UHFFFAOYSA-N 481.465 1.938 50 40 JDGB COc1ccc(/C=N/NC(=O)CC(=O)N/N=C/c2ccc(OC)c(OC)c2OC)c(OC)c1OC 21964647 RHIFIZNYOLSSPX-DWGHPKEWSA-N 488.497 1.729 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCC(=O)Nc1ccc(C)cc1C 409158558 TZQQICSPKNYACC-VULFUBBASA-N 470.526 1.932 50 40 JDGB C/C(=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1cccnc1 13146788 UCFKPAPABWLZOH-JCMHNJIXSA-N 480.388 1.691 50 40 JDGB COCCOc1ccc(S(=O)(=O)NNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1 23144304 FUCXKOWSGIZSNO-UHFFFAOYSA-N 494.547 1.902 50 40 JDGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)cc2OC)cc1 409256048 JGFBDKBBOQQZIU-KXQYEYADSA-N 484.509 1.467 50 40 JDGB COc1ccc(/C(C)=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC 36006848 YXCAHQIYNKICGK-MOHJPFBDSA-N 474.583 1.859 50 40 JDGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)cc1 409258629 YHNPVMRNPNXAKP-WGOQTCKBSA-N 498.536 1.810 50 40 JDGB COCCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 58873089 CAZXRMOZOKKLTG-MYYYXRDXSA-N 456.499 1.706 50 40 JDGB CCC(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 107869319 JFSMBRPCSQCBOV-FZJZADEZSA-N 451.439 1.659 50 40 JDGB CC(C)CNC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 409142572 AJEHAVVIBGVJBI-ZVHZXABRSA-N 460.556 1.997 50 40 JDGB CN(CC(=O)NNS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 3290212 RWFJPUPNLINQEQ-UHFFFAOYSA-N 452.341 1.624 50 40 JDGB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)NNC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1 10400484 BQEGDLDYISQZPF-GFCCVEGCSA-N 458.496 1.703 50 40 JDGB COc1cc(/C=C2\SC(=S)N(CC(=O)NNC(=O)c3ccncc3)C2=O)cc(OC)c1OC 12562261 SEMDUPMSZUDKBD-YBEGLDIGSA-N 488.547 1.770 50 40 JDGB COc1ccc(C(=O)NNC(=O)Cc2c(C(=O)O)nnn2-c2ccc(Br)cc2)cc1 27642601 ZKCQMQBQVPSRIM-UHFFFAOYSA-N 474.271 1.740 50 40 JDGB CC(C)[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408660941 NWSIWVDADLUXSJ-KMNYTQEUSA-N 473.913 1.476 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1cccc(C)c1 409257400 SLRKVGGWWDTPLY-KXQYEYADSA-N 468.510 1.766 50 40 JDGB Cn1c(CC(=O)NNC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)nc2ccccc21 2631037 KGBSOLLBQFJYPF-UHFFFAOYSA-N 470.338 1.549 50 40 JDGB COc1ccc(CC(=O)NNC(=O)CCCCC(=O)NNC(=O)Cc2ccc(OC)cc2)cc1 8398580 WKZGUOYRSSDFOI-UHFFFAOYSA-N 470.526 1.344 50 40 JDGB CCCC(=O)NNC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O 10162808 WSTSXRXHSCPYKU-UHFFFAOYSA-N 474.521 1.404 50 40 JDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2C)c(OC)c1 409153224 LZYFHJAOZKCAMF-AUEPDCJTSA-N 477.315 1.980 50 40 JDGB CC(=O)Nc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1 2390143 BKYQKIFHQRVFCD-WYMPLXKRSA-N 474.485 1.591 50 40 JDGB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)COc1ccc(Br)cc1 3355812 FSCCOCMDRPEGQU-UHFFFAOYSA-N 465.260 1.704 50 40 JDGB COc1cc(/C=N/NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1OC(C)=O 36602827 RTBYRSXPKZSJIR-BUVRLJJBSA-N 488.566 1.386 50 40 JDGB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 102340767 SEBDFDPLNUPUJK-CALCHBBNSA-N 477.521 1.225 50 40 JDGB CC(C)(C)c1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1 408653624 JBYVOCALBZPNRP-SFHVURJKSA-N 480.521 1.482 50 40 JDGB NC(=O)N[C@H](CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)cc1 9442240 ZVUQGTNDFZXILG-GOSISDBHSA-N 493.973 1.685 50 40 JDGB CCOc1cccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1O 12467228 BILVTGUCMXWASV-HAHDFKILSA-N 460.556 1.556 50 40 JDGB CC(C)Oc1ccc(C(=O)NNC(=O)[C@H](CCC(N)=O)NC(=O)c2ccc(Cl)cc2)cc1 13121020 AJGKRVLRNYNVMT-SFHVURJKSA-N 460.918 1.952 50 40 JDGB C=CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 16321256 ZBMQDCJANUBUJY-OEAKJJBVSA-N 474.539 1.989 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)N1CCOCC1 19639950 PGXUEJAMXSXPLQ-ZVHZXABRSA-N 454.483 1.330 50 40 JDGB COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)c1 19925994 QHJWOPNQDOKTBP-NRFANRHFSA-N 452.511 1.724 50 40 JDGB COc1cc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)ccc1OC(C)C 24704532 XSECFFLZWGNQEA-ZDUSSCGKSA-N 453.492 1.750 50 40 JDGB O=C(N/N=C\c1c(Sc2nnnn2-c2ccccc2)nc2ccccn2c1=O)c1ccncc1 33401694 ZWPFJIAQZRQCHR-OYKKKHCWSA-N 469.490 1.980 50 40 JDGB NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 408885086 XEDCWKVBLKGKOL-MFKUBSTISA-N 466.519 1.896 50 40 JDGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(Br)cc2)c2ccccc21 1259027 DDNSKHJBMNZJNF-MOHJPFBDSA-N 473.283 1.219 50 40 JDGB COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@@H](c1ccc(F)cc1)C=2C(=O)Nc1cccc(C)c1 8756052 JQCVVQCRHXKLMN-ZMUHTPIZSA-N 490.516 1.549 50 40 JDGB CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCOC)C1 9075631 YKLKITOMMTZWJW-CLEQQJOVSA-N 467.526 1.452 50 40 JDGB COC(=O)/C(=N\NC(N)=O)[C@H](C(=O)C=C(C)C)C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 103016103 NSCVUUWGVANSJI-HYGVVEGASA-N 457.270 1.850 50 40 JDGB COC(=O)/C(=N/NC(N)=O)[C@@H](C(=O)C=C(C)C)C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 104291721 NSCVUUWGVANSJI-DZOGZAPRSA-N 457.270 1.850 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21)c1ccccc1F 16248252 WBPRKMLAULWQTB-UHFFFAOYSA-N 469.292 1.827 50 40 JDGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1 18071855 VNFYJNFYQNAKFI-ZDUSSCGKSA-N 455.558 1.467 50 40 JDGB COc1cc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)cc(OC)c1OC 33893570 VHDFGNBHONQZKU-ADUFUACUSA-N 499.532 1.397 50 40 JDGB O=C(NNC(=S)NC[C@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 9631347 GQMDKOWMJIZYIB-MRXNPFEDSA-N 492.579 1.547 50 40 JDGB COC(=O)C1=c2s/c(=C\c3ccc(F)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(F)cc1 2240096 DKVJJYTVPPFIIZ-BHEJFATLSA-N 451.454 1.789 50 40 JDGB O=C(NNC(=O)c1ccco1)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 14245381 VJVFPDDAPYJUBJ-UHFFFAOYSA-N 468.535 1.861 50 40 JDGB C[C@H]1CCCCN1Cc1c(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])nnn1-c1nonc1N 33934501 VUJAEVBKFLXCOK-INEXWVMZSA-N 454.451 1.279 50 40 JDGB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)/C(C#N)=C(/C)N 104851163 JVROJKNPXXILOT-WVUXNXBLSA-N 454.892 1.968 50 40 JDGB Cc1ccc(N2C(=O)[C@H](/C=N/NC(=O)COc3cccc(N(C)C)c3)C(=O)NC2=S)cc1 408759755 LBDLXMYVZXJGOL-BYWZACNXSA-N 453.524 1.606 50 40 JDGB O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 9508316 CNKBLLMRIBQSRM-INIZCTEOSA-N 484.328 1.105 50 40 JDGB CC(C)Oc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2nncn2C)cc1 13805569 FJUCFEJMQQHFGT-ODCIPOBUSA-N 483.518 1.204 50 40 JDGB COc1ccc(CCNC(=O)CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1OC 16184510 YBIGUSDODLWEEI-AFUMVMLFSA-N 459.499 1.929 50 40 JDGB Nc1nonc1-n1nnc(CN2CCCCC2)c1C(=O)N/N=C/c1cc(Br)ccc1O 2520771 RJLRVAOMDLUZMG-ZVBGSRNCSA-N 490.322 1.450 50 40 JDGB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNC(=O)c1cc(Cl)ccc1OC 9457802 DEPQXAQJGGUZND-QGZVFWFLSA-N 451.932 1.886 50 40 JDGB CCOc1ccc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1OCC 12853429 QQPNVXQGIDCTTL-UHFFFAOYSA-N 470.573 1.709 50 40 JDGB COc1cc(/C=N\NC(=O)C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 31687643 KHKVIOPHWRXVLP-QEUMEHMPSA-N 474.470 1.339 50 40 JDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc1)NCCc1ccccc1 58873893 JZYTVHSPJYHVMV-MUFRIFMGSA-N 459.506 1.586 50 40 JDGB C/C(=C/CO)CCC1=C(C=O)C[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H]2[C@]1(C)CCC[C@@]2(C)CO 1534688747 IQHRODLFQNPIDT-WBTZRKLHSA-N 468.587 1.234 50 40 JDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)c(OC)c1 2448852 UWUPAAUSEQZYHJ-WYMPLXKRSA-N 483.533 1.778 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CCCN2C(=O)c2cccs2)cc1 9317964 XKICTCSMIIPLKI-MRXNPFEDSA-N 464.569 1.129 50 40 JDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1cccc(S(=O)(=O)N2CCCC2)c1 12928087 KFNHCVBPYKJSCE-MRXNPFEDSA-N 474.514 1.424 50 40 JDGB O=C(CNC(=O)c1ccccc1I)NNC(=O)[C@H]1COc2ccccc2O1 26976842 NBEYPVPLKQFYOB-OAHLLOKOSA-N 481.246 1.008 50 40 JDGB O=C(NNC(=S)Nc1ccccc1F)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 40049301 ZBVRTTSZTKXLBK-MRXNPFEDSA-N 480.543 1.768 50 40 JDGB C[C@H](NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 58873671 OEFKKRPSJJMTGC-VXYNXWTBSA-N 452.511 1.688 50 40 JDGB O=C(C[C@@H]1SC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O)NNC(=O)c1ccncc1 15057056 CHWSQUPIQBNAHP-AWEZNQCLSA-N 495.439 1.954 50 40 JDGB Cc1nc(CC(=O)NNC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 20835462 SMAIOXLTCWNAOA-UHFFFAOYSA-N 455.587 1.033 50 40 JDGB CC[C@@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)CSc1nnc(Nc2cccc(OC)c2)s1 21021217 SUGGMWUXJNSKBO-YGRLFVJLSA-N 467.577 1.613 50 40 JDGB CCC(=O)NNC(=O)CC[C@@H](C(=O)NNC(=O)CC)P(=O)(c1ccccc1)c1ccccc1 102058461 HWENIDDTVYUAJB-IBGZPJMESA-N 472.482 1.264 50 40 JDGB CCOc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1OCC(=O)N1CCOCC1 409266518 XQDBNMMXVVJREL-BJRSOBTISA-N 494.548 1.826 50 40 JDGB Cc1cccc(C)c1OCC(=O)NNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 12942302 IKHKOKWCARXPOR-UHFFFAOYSA-N 470.551 1.691 50 40 JDGB Cc1ccc(C(=O)NCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1C 17407987 UNSFGGXGKAUINC-UHFFFAOYSA-N 466.947 1.155 50 40 JDGB COC(=O)c1c(-c2ccc(OCC(=O)N/N=C3\C(=O)Nc4ccccc43)c(OC)c2)nc(=O)[nH]c1C 16249225 OMLQDFYHDGPJHB-UHFFFAOYSA-N 491.460 1.392 50 40 JDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1 408876256 OGENKDSKQOAHBH-SRZZPIQSSA-N 498.355 1.917 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCC(=O)N1CCOCC1 409167189 HSWVYHIVNBKSBI-WPWMEQJKSA-N 482.537 1.132 50 40 JDGB CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1 139081725 HDFHDTWJFVABJY-INIZCTEOSA-N 487.896 1.874 50 40 JDGB O=C(CSn1nnnc1-c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 408732227 PQAPANFKBZJIHO-FYJGNVAPSA-N 468.499 1.732 50 40 JDGB C=CCN1/C(=N/C=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)S[C@H]2CS(=O)(=O)C[C@H]21 9130514 OFLMKAIZSDCAEC-PEABEMSUSA-N 490.607 1.526 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)cc1 9882828 NSUIQUKNZHNJPQ-FQEVSTJZSA-N 478.546 1.357 50 40 JDGB COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@H](NNC(=O)c3ccc(Cl)cc3)C2=O)c1 100916344 SXIHESPTKRWBIW-INIZCTEOSA-N 459.842 1.480 50 40 JDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)ccc1OC(C)=O 13804413 OGXHDMKSSZOZAL-ZVBGSRNCSA-N 468.455 1.659 50 40 JDGB CN(CC(=O)NNC(=O)CC[C@@H]1Cc2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)cc1 14244800 MEXJCVQSKRZBPQ-OAHLLOKOSA-N 478.958 1.699 50 40 JDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 409165112 SPZAHLSKEDXJGD-KIBLKLHPSA-N 452.389 1.928 50 40 JDGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1OC 20211882 OPKBHIBDKZMVBD-SRZZPIQSSA-N 453.448 1.896 50 40 JDGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCOC)cc2OC)cc1 409151990 ISRHJCAWVMGPQW-AFUMVMLFSA-N 472.498 1.324 50 40 JDGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)NNC(=O)c1ccccc1Cl 408682854 KATSQMIBPOLAGW-UPOJRHOVSA-N 471.691 1.215 50 40 JDGB COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1OC 408777233 XCXHPJRVUGGVPJ-CIAFOILYSA-N 451.501 1.637 50 40 JDGB C[C@@H]1C[C@@H]1C(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 23187770 DWVDESAGLSJIJW-PXAZEXFGSA-N 464.931 1.674 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc(I)c1O 409168510 LUMQCKHUHOOLGE-SRZZPIQSSA-N 467.263 1.814 50 40 JDGB CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1OCC 409229221 LNOJVBHGEKCFKI-WZUFQYTHSA-N 487.250 1.734 50 40 JDGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccco3)c(N3CCC(C(N)=O)CC3)nc12 8682512 VGNRQGSUVJYKSW-SFQUDFHCSA-N 460.494 1.521 50 40 JDGB COC(=O)/C(=N\NC(N)=O)[C@@H](C(=O)C=C(C)C)C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 103016105 NSCVUUWGVANSJI-HLHDEOROSA-N 457.270 1.850 50 40 JDGB COC(=O)[C@@H](/C(=N\NC(N)=O)C(=O)Nc1ccc(C)cc1)c1nc2ccc([N+](=O)[O-])cc2nc1O 104297360 NPRPPINXHPFRTJ-ILHZYDFZSA-N 481.425 1.472 50 40 JDGB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O 408665575 FYHNKRHEHHNWRR-CYBMUJFWSA-N 490.856 1.614 50 40 JDGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)c(OC)c1 408767775 NWPSCPDBMQCMMM-WGARJPEWSA-N 493.476 1.641 50 40 JDGB NC(=O)N[C@@H](CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)cc1 9442239 ZVUQGTNDFZXILG-SFHVURJKSA-N 493.973 1.685 50 40 JDGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)S(C)(=O)=O 20213944 RBUMABPPIVNDIA-OEAKJJBVSA-N 489.554 1.965 50 40 JDGB COc1ccc(/C(C)=N/OCC(=O)N/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)cc1OC 100302432 PPRDPZUGZQQLPS-NDSSNIMFSA-N 495.536 1.601 50 40 JDGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 12418533 JBNPVVLAHKTWSQ-AUEPDCJTSA-N 476.442 1.518 50 40 JDGB Cc1ccccc1C(=O)N[C@@H](C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(C)C 13004199 AAYCWOWUTQFKSQ-OAQYLSRUSA-N 486.594 1.995 50 40 JDGB O=C(NNc1nc(=Nc2ccccc2)nc(N2CCOCC2)[nH]1)Nc1ccc([N+](=O)[O-])cc1 408725478 KQBLVVIVJGQKTE-UHFFFAOYSA-N 451.447 1.931 50 40 JDGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)N2CCOCC2)c(OC)c1 409171214 ZJNIAXWUOJELFI-FSJBWODESA-N 499.362 1.062 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2OCC(=O)O)c1-c1cccs1 1875342 BHWIEWGUMFWOIT-DNTJNYDQSA-N 454.428 1.188 50 40 JDGB O=C(NNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2)c1csc(N2CCOCC2)n1 8725365 SDPAZQJXMHVHBB-UHFFFAOYSA-N 456.484 1.216 50 40 JDGB Cc1ccc(S(=O)(=O)CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 9440441 VWOJMEGFTYWHPJ-UHFFFAOYSA-N 479.580 1.405 50 40 JDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)c(OC)c1 409171119 YVYSSPJALTVGNP-AFUMVMLFSA-N 456.499 1.624 50 40 JDGB COc1ccc(CC(=O)NNC(=O)c2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1 9509640 DGKGMAFHBTZXAZ-UHFFFAOYSA-N 467.931 1.373 50 40 JDGB CCCCCn1nc(C(=O)NNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c2ccccc2c1=O 22903253 PJNITRNFQKGURR-UHFFFAOYSA-N 485.522 1.655 50 40 JDGB Nc1nonc1-n1nnc(CN2CCOCC2)c1C(=O)N/N=C/c1ccc(Cl)cc1Cl 25782515 OZMLMHLZYVOGBB-ODCIPOBUSA-N 466.289 1.135 50 40 JDGB CCc1cccc(N2C[C@@H](C(=O)NNC(=O)c3sc(N4CCOCC4)nc3C)CC2=O)c1 32755470 PLSZGKZCHYTMTJ-INIZCTEOSA-N 457.556 1.665 50 40 JDGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(C)(=O)=O)c1 408874795 AXBJTYSLDHETTF-YDZHTSKRSA-N 460.556 1.815 50 40 JDGB COc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc(OC)c1OC 409028215 JGMVSNLUOZGJQT-RGVLZGJSSA-N 466.472 1.537 50 40 JDGB CS(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccccc21)c1ccc(I)cc1 409029006 WUWOCQRCFACQPT-UHFFFAOYSA-N 498.302 1.530 50 40 JDGB CCOC(=O)c1ccc(N2C(=O)C[C@@H](NNC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 9272166 YZGLZXPSIRQWAB-MRXNPFEDSA-N 471.466 1.456 50 40 JDGB COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)cccc2OC)cc1 408613319 YZCKAPYDJLWTGX-JMJNUIHMSA-N 484.509 1.467 50 40 JDGB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1)NNC(=O)c1ccccc1 408655197 LKTFDQZOZMFQPU-CYBMUJFWSA-N 493.303 1.491 50 40 JDGB COc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)c2)c1 409254438 DQNIARUJIXFUGF-HMHIXTCJSA-N 454.483 1.458 50 40 JDGB COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccs1)C=2C(=O)Nc1ccc(C)cc1 8757247 IIKMQABIZDZUNE-FJJYYWMZSA-N 478.555 1.471 50 40 JDGB COC(=O)N/N=C(\C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2ccc([N+](=O)[O-])cc2nc1O 18069019 JCWSWXIPRDXDFR-JCMHNJIXSA-N 455.343 1.851 50 40 JDGB COc1ccccc1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)CC1=O 32957604 ZHWXJOLOHCKHDB-CQSZACIVSA-N 490.310 1.815 50 40 JDGB C[C@H](C(=O)N1CCOCC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 102649510 KPICJABWXCJXFK-RYUAPSCTSA-N 464.154 1.012 50 40 JDGB CC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1 408659438 JSKLQVBJZSCBAA-VTAJJLHNSA-N 467.305 1.837 50 40 JDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)c(OC)c1 409158228 KRAJNYUETUFVPB-VULFUBBASA-N 470.526 1.932 50 40 JDGB COc1cccc(-c2c(C(=O)N/N=C/c3cc(OC)c(O)c(OC)c3)nnn2-c2nonc2N)c1 1880734 JRQHLNUWIIYREO-AUEPDCJTSA-N 480.441 1.395 50 40 JDGB O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1cccnc1 8766117 WFSVLRMZGUCOCN-SXGWCWSVSA-N 456.505 1.863 50 40 JDGB Cc1cc(C)nc(SCc2nnc(SCC(=O)NNC(=O)Cc3ccccc3)n2C)n1 12494523 NCTWWAKWOYLPIW-UHFFFAOYSA-N 457.585 1.996 50 40 JDGB O=C(C[C@@H]1[C@@]2([N+](=O)[O-])C=CC(=O)[C@@]1([N+](=O)[O-])CN(CCBr)C2)c1ccccc1 100129004 MTENKZVOGGZLEC-KBAYOESNSA-N 452.261 1.756 50 40 JDGB O=C(O)COc1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1 408988653 ISDITHHXQKLAQW-OIOPBYROSA-N 465.466 1.861 50 40 JDGB Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NNC(=O)[C@H]1C(=O)Nc3ccccc3C1=O)O2 1641456882 TYJOVQITZLQEKB-MZNJEOGPSA-N 451.479 2.000 50 40 JDGB O=C(COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)NNC(=O)c1ccc([N+](=O)[O-])cc1 9588940 PLDYXTBVJRGRMO-UHFFFAOYSA-N 479.449 1.649 50 40 JDGB Cn1cccc1/C=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 36006898 GZOYGNBGYQAFPG-DEDYPNTBSA-N 468.377 1.244 50 40 JDGB COC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1 408653752 AMUBKLMRXUBLND-OOLZNYFQSA-N 483.304 1.421 50 40 JDGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)NNC(=O)c1ccccc1Cl 408682853 KATSQMIBPOLAGW-IGYYUICOSA-N 471.691 1.215 50 40 JDGB C[C@H](C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(c1ccccc1)S(C)(=O)=O 408905885 ANKAPRKGEYCHMW-QFNCUCFLSA-N 475.527 1.736 50 40 JDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)NCc1ccco1 58882200 VRNYBWKRJRUKNH-WYMPLXKRSA-N 465.422 1.972 50 40 JDGB CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc(O)cc3O)nnn2-c2nonc2N)c1 1853586 VXAUQMRYRUPGLZ-LSHDLFTRSA-N 450.415 1.473 50 40 JDGB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)COc1cccc(Br)c1 13149163 QVXFLRKFAUOPFJ-NSHDSACASA-N 474.308 1.481 50 40 JDGB CCCn1c(=O)c(C(=O)NNS(=O)(=O)c2ccc(NC(=O)OC)cc2)c(O)c2ccccc21 100551376 ATNFYJNVKISOLV-UHFFFAOYSA-N 474.495 1.919 50 40 JDGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC1CC1)NCc1ccco1 408612365 VCHIYXFFVQAIOB-LSFURLLWSA-N 463.288 1.466 50 40 JDGB Cc1cc(=O)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)nn1-c1ccccc1F 16594182 JGPIJVAHIZKMHD-UHFFFAOYSA-N 473.486 1.005 50 40 JDGB O=C(NCCCl)NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)O 21548791 UOIQIPIZFQRGMA-UHFFFAOYSA-N 457.852 1.959 50 40 JDGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1OC 33880778 AMTABDFCRAIYPJ-OYKKKHCWSA-N 456.499 1.504 50 40 JDGB Cn1cnnc1SCc1c(C(=O)N/N=C/c2ccccc2Cl)nnn1-c1nonc1N 2452021 RELLJUMJLJSREX-KPSZGOFPSA-N 459.883 1.071 50 40 JDGB COC(=O)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1 9014250 VGGWTYSNJCVMDQ-NUGSKGIGSA-N 476.409 1.179 50 40 JDGB COc1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc(OC)c1OC 12971845 QDYNYYOQOSPABD-AWEZNQCLSA-N 471.466 1.298 50 40 JDGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccncc2)c(OC)c1 16682503 JDCUEHVCWOJPKQ-PXYXSCDOSA-N 467.482 1.810 50 40 JDGB CSc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)cc1 51331026 MRCQQVUWHNSSLK-SSDVNMTOSA-N 455.548 1.950 50 40 JDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)NC[C@H]1CCCO1 58882196 GRHFPJVTIMNZLO-QVHMZZSFSA-N 469.454 1.358 50 40 JDGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 13021441 BHSXMDQVWJADDF-CQSZACIVSA-N 463.585 1.663 50 40 JDGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)c1O 1876987 OXBVEDAGAKYYBJ-ZVBGSRNCSA-N 465.386 1.286 50 40 JDGB COc1cc(C(=O)NNC(=O)COc2ccccc2Cl)ccc1OCC(=O)N1CCOCC1 17199772 VTSNBXCTAODELQ-UHFFFAOYSA-N 477.901 1.426 50 40 JDGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)NCc3cccnc3)o2)cc1 408779141 AJXOZPPQTMRNQY-CFRMEGHHSA-N 455.496 1.228 50 40 JDGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)N2CCOCC2)c(OC)c1 409264911 MUTVHWYOAYRRCQ-XIJPWPHISA-N 499.362 1.060 50 40 JDGB COc1cc(/C=N/NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(OC)c1OC 8824673 CNHVEZIFGNTUFU-LFVJCYFKSA-N 491.566 1.816 50 40 JDGB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 72283160 WBEIEZBGPBPKJL-ZDUSSCGKSA-N 457.512 1.183 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 409165713 AZSVLKWNVWFADA-BRJLIKDPSA-N 476.917 1.887 50 40 JDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(OC)c2OC)cc1OC 16187120 JFXBVFIYYYCDMT-CIAFOILYSA-N 451.501 1.492 50 40 JDGB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)Cc1nc3ccccc3n1C)n2C 9442665 QKOKFXADYSOCTC-UHFFFAOYSA-N 497.581 1.033 50 40 JDGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(=O)(=O)c2ccccc2)c1 28212905 PLWGCSMPZPKJRH-CVKSISIWSA-N 496.545 1.905 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccccc1C 409260244 NGLQNIQPONGSSS-WUERFNLMSA-N 468.510 1.766 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 9332048 QAOZYLKFEMLZRT-LPYMAVHISA-N 468.478 1.527 50 40 JDGB O=C(CCOCCOCCOCCOCCSSc1ccccn1)ON1C(=O)CCC1=O 114820906 AZXJOPLHLVNPKQ-UHFFFAOYSA-N 488.584 1.886 50 40 JDGB in-vitro CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408667545 UIJOVGZGTKLKAU-BHHKEHIISA-N 475.929 1.700 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cc(Cl)ccc2O)c1-c1ccc([N+](=O)[O-])cc1 2207270 ZGZXDMBAEUECBU-ODCIPOBUSA-N 469.805 1.931 50 40 JDGB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)c1OC 3408867 POGFXHHRYCGEDS-ZZXKWVIFSA-N 450.425 1.154 50 40 JDGB O=S(=O)(O)CCOC[C@H]1CSSC[C@@H](COCCS(=O)(=O)O)SS1 12658017 KQUKTPXDCNNGOC-AOOOYVTPSA-N 460.664 1.309 50 40 JDGB biogenic COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c(OC)c1 58881883 WNFYFQIKFHMKGY-JMJNUIHMSA-N 484.509 1.467 50 40 JDGB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccccc1 408656536 FHBMVAAYDOJKTF-QHHCOUFXSA-N 487.512 1.409 50 40 JDGB CC1(C)C(C#N)=C(SCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)NC(=O)[C@@H]1C#N 8718527 YTYGOJHXTKUFDC-HOTGVXAUSA-N 458.565 1.971 50 40 JDGB COc1ccc(/C=C2\SC(=S)N(CC(=O)NNS(=O)(=O)c3ccccc3)C2=O)cc1OC 8819424 HORADKINDSSTJI-BOPFTXTBSA-N 493.588 1.915 50 40 JDGB Cc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cc1S(=O)(=O)N1CCOCC1 9509241 TWMWGHSKAADTLK-UHFFFAOYSA-N 488.385 1.915 50 40 JDGB COc1ccc(CC(=O)NNC(=O)c2ccccc2-n2cccc2)cc1S(=O)(=O)N1CCOCC1 10037708 HOSJCGUXALCXKN-UHFFFAOYSA-N 498.561 1.511 50 40 JDGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)Oc2ccc3c(C)cc(=O)oc3c2)cc1 13057425 HODKEFNUZWNMSM-CYBMUJFWSA-N 459.480 1.837 50 40 JDGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(OC)c1 408773146 GSJBYKGEULRHLS-DEDYPNTBSA-N 450.473 1.918 50 40 JDGB COC(=O)c1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)cc1 33438378 QAZJWUUMBQOBHG-DOQYOOLYSA-N 467.490 1.157 50 40 JDGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)N2CCCC2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408779360 DHIPLMWWPUPXKT-MYKKPKGFSA-N 480.308 1.914 50 40 JDGB COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c(OC)c1 408775976 LLWPOHUOUJGDQY-CIAFOILYSA-N 451.501 1.637 50 40 JDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)c(OC)c1 409151021 FRXVRJGOXQIPHW-VULFUBBASA-N 470.526 1.932 50 40 JDGB COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(N)=O 409271452 LDHLRBVGOJMOHJ-ZBKNUEDVSA-N 498.233 1.836 50 40 JDGB COC(=O)c1ccc(Cl)cc1N/C=C1\C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 9053806 LPWWFJKOEWSVRT-WPBJZHHJSA-N 463.899 1.818 50 40 JDGB NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1Cl 14244769 ADGSFYMYBXKWBZ-UHFFFAOYSA-N 457.839 1.630 50 40 JDGB CC(C)(C)c1ccc(C(=O)NCCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 12800468 XCOUNEVQORWJOP-UHFFFAOYSA-N 459.572 1.858 50 40 JDGB CCOC(=O)C1=c2s/c(=C\c3cccc(OC)c3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccc(OC)c1 1516840 WFBHUSZOCLORBA-GUBQRQEFSA-N 489.553 1.918 50 40 JDGB O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)NNC(=O)c1ccco1)c1ccccc1 9972833 GYTNZSVEEWDMOC-QZTJIDSGSA-N 466.402 1.576 50 40 JDGB COC(=O)[C@@H](Cc1nc2ccccc2nc1C)/C(=N/NC(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1 16957754 BEBKLCLJNBWQGB-HZXCKYEYSA-N 479.453 1.841 50 40 JDGB Cc1cc(C)nc(SCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)n1 32636400 AQPDHVFLGOVABB-UHFFFAOYSA-N 453.318 1.952 50 40 JDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCC3)c(OC)c2)cc1 409266953 SNTGDTFLOMPBPZ-CVKSISIWSA-N 468.510 1.472 50 40 JDGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(C)(=O)=O)c1 408776389 NOSPQQGOMUQABZ-CIAFOILYSA-N 451.501 1.637 50 40 JDGB O=C(NCc1ccc2c(c1)OCO2)C(=O)N/N=C/c1cccc(OCC(=O)N2CCCC2)c1 409273353 XPMHWHMWOHKLLO-DHRITJCHSA-N 452.467 1.183 50 40 JDGB COCCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 12137522 HXVSRAGSTQURNX-UHFFFAOYSA-N 459.524 1.724 50 40 JDGB C=CCn1c(=S)[nH]c2cc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)ccc2c1=O 12804098 AGXSSHNEIXGQMQ-UHFFFAOYSA-N 472.552 1.613 50 40 JDGB COCCNC(=O)/C(C#N)=C/c1c(N2CCN(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O 13648365 PZVRIVWLPZASPL-OQKWZONESA-N 486.576 1.995 50 40 JDGB O=C(O)CN1C(=O)COc2ccc(S(=O)(=O)NNC(=O)c3cc4c(s3)CCCCC4)cc21 22990172 WCLJUFSXPJSKBP-UHFFFAOYSA-N 479.536 1.450 50 40 JDGB C[C@@H](C(=O)N1CCOCC1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100800984 KPICJABWXCJXFK-QIWMUBKGSA-N 464.154 1.012 50 40 JDGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)NNC(=O)c1ccc(Cl)cc1 408685142 OUKOWMZBDAJMNA-SLQSZJTJSA-N 471.691 1.215 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(OC)c1 409157730 WGJJJLUEMSOBGR-BRJLIKDPSA-N 476.917 1.887 50 40 JDGB CCOC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@H](N)CCC(=O)O 4773983 NYHRFWFTQJDHSE-SJORKVTESA-N 462.374 1.753 50 40 JDGB NS(=O)(=O)c1ccc(SSc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 5411946 BMNWYRSTEGXYJW-UHFFFAOYSA-N 466.500 1.597 50 40 JDGB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NNC(=O)CSc1ccc(Cl)cc1 9508190 YUDXCIGZZLPRAJ-UHFFFAOYSA-N 452.945 1.708 50 40 JDGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(C)(=O)=O)c1 20208377 XUIPDMVLBNYMFF-OEAKJJBVSA-N 489.554 1.965 50 40 JDGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)c1 35351759 VIILQQSOBTWEPI-UUYOSTAYSA-N 481.527 1.500 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)N1CCOCC1 409172775 LBPOBRROPGNGKS-ZVHZXABRSA-N 454.483 1.330 50 40 JDGB CCOC(=O)CC(=N)NNC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 8873751 RHXIYDPWBRJBAT-UHFFFAOYSA-N 450.849 1.427 50 40 JDGB CCOC(=O)Cc1[nH]nc2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OCC)c1)C(C#N)=C(N)O2 19852641 XUANNBNWUYKGPH-QFIPXVFZSA-N 497.552 1.843 50 40 JDGB COc1cccc(CC(=O)OCC(=O)NNC(=O)COc2ccc(Br)cc2)c1 11706398 ZUNRYHKGKDKHDP-UHFFFAOYSA-N 451.273 1.770 50 40 JDGB CCN1C(=O)/C(=N\NC(=O)CCC(=O)N/N=C2\C(=O)N(CC)c3ccccc32)c2ccccc21 18246784 XKQJLVBDKDVIFK-ZDSKVHJSSA-N 460.494 1.541 50 40 JDGB O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)c1cccnc1 27765685 VADXYDWJAPCXGO-UHFFFAOYSA-N 450.826 1.883 50 40 JDGB O=C(Cc1nnc(NC(=O)c2cc(O)nc(O)n2)s1)N/N=C/c1ccc(Cl)cc1Cl 409332736 LUVDOYVAVMQHEU-KPSZGOFPSA-N 468.282 1.991 50 40 JDGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 9507367 RDJQFXSEQLSJAR-CQSZACIVSA-N 475.552 1.045 50 40 JDGB COc1cccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)c1O 39948781 LNEPLNFSGFNGPO-SKKJWADRSA-N 455.479 1.085 50 40 JDGB CN(c1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1)S(C)(=O)=O 409119109 POCSYIZLIAMNSQ-KGENOOAVSA-N 461.500 1.591 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)cc1 9509039 KIKPKMHMQQSTTP-FQEVSTJZSA-N 478.546 1.357 50 40 JDGB COC(=O)C[C@@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 5028411 YBPUGGGPRGKDDO-QGZVFWFLSA-N 459.411 1.475 50 40 JDGB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(Br)cc1 8667273 BSLCKTKDKYRSAN-UHFFFAOYSA-N 474.267 1.440 50 40 JDGB COc1cc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)ccc1O 9235802 QWTSRFQMPRVEFH-AUEPDCJTSA-N 478.425 1.496 50 40 JDGB CCOc1cc(C(=O)NCC(=O)NNc2ncnc(N)c2[N+](=O)[O-])cc(OCC)c1OCC 9391674 SENKRBPHFSHZCR-UHFFFAOYSA-N 463.451 1.036 50 40 JDGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNC(=O)c1ccccc1Br 12702435 LTVIEOCHWOVTHA-UHFFFAOYSA-N 482.360 1.242 50 40 JDGB Cc1ccccc1-n1nnnc1SCC(=O)NNS(=O)(=O)c1ccc(Br)cc1 13149139 GRRFDPBSCHDZPT-UHFFFAOYSA-N 483.373 1.835 50 40 JDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1OC 16186770 IGOMOGGKBUBNIU-WSDLNYQXSA-N 481.527 1.500 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)N1CCOCC1 409261961 GIOIDYAAUGOISR-AFUMVMLFSA-N 472.473 1.551 50 40 JDGB CNC(=O)C1=C2S[C@@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 3764196 ICQGUOLSOICMCQ-JSGCOSHPSA-N 466.441 1.961 50 40 JDGB CC1(C)C(C#N)=C(SCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)NC(=O)[C@@H]1C#N 8718526 YTYGOJHXTKUFDC-CVEARBPZSA-N 458.565 1.971 50 40 JDGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408666823 STHBPNQLVZEILJ-ZMPPFODHSA-N 492.326 1.173 50 40 JDGB CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)c2)cc1 409271177 KFTPELWPQILTJI-WMPMWDHYSA-N 468.510 1.848 50 40 JDGB CCn1nc(C(=O)NNC(=O)[C@H](NS(=O)(=O)c2ccc(C)c(C)c2)C(C)C)c2ccccc2c1=O 12971802 ZJAZYVKQQJQVJM-HXUWFJFHSA-N 499.593 1.797 50 40 JDGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)cc2)cc1 409262232 FXWKQBQTPGANGF-ODDBZWQPSA-N 468.510 1.848 50 40 JDGB Cn1c(CC(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nc2ccccc21 12547652 ZJPPFAHWWKWLIS-OAHLLOKOSA-N 473.530 1.503 50 40 JDGB CCCn1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)c2ccccc2c1=O 12989806 BRLGBSUZJKPFJB-UHFFFAOYSA-N 471.539 1.568 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)c1-c1ccccc1 13382224 BIDBQNOWWBPCDL-UHFFFAOYSA-N 494.269 1.748 50 40 JDGB C[C@@H](C(=O)NC[C@H]1CCCO1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100833858 RGFIBPKBUNYJOT-ZDMDCCKYSA-N 478.181 1.448 50 40 JDGB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)NNC(=O)c1ccccc1Cl 408661944 WMFOHODRTONCEV-GFCCVEGCSA-N 493.303 1.491 50 40 JDGB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)/C(C#N)=C(/C)N 104851159 JVROJKNPXXILOT-VSKPTYQZSA-N 454.892 1.968 50 40 JDGB O=C(NCCc1ccccc1)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408772047 KVBNNGDUICCPPH-MBTHVWNTSA-N 495.923 1.997 50 40 JDGB CC(=O)OC[C@H]1O[C@@H](Cl)[C@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 39145197 YRXSTYGMBJFQAY-DUQPFJRNSA-N 453.831 1.041 50 40 JDGB in-vitro Cc1ccc(N2C(=O)C[C@@H](NNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)C2=O)cc1 101748645 QPUVAAIZVXUUAR-LJQANCHMSA-N 456.524 1.346 50 40 JDGB CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]2N[P@@](=O)(N(CCCl)CCCl)O[C@H]21 105225491 FBZORRAABBPNRU-FCMBFAPSSA-N 480.293 1.027 50 40 JDGB COc1ccc([C@@H](CC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)NC(C)=O)cc1 12993360 ACWUIFGPPGKHCY-MRXNPFEDSA-N 468.919 1.025 50 40 JDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1 20210783 WGIOHXFQIUVZMQ-WSDLNYQXSA-N 479.511 1.172 50 40 JDGB CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2ccc(OCC(N)=O)c(OC)c2)C(C#N)=C(N)O1 2267177 GIEXUXHHHFDRJZ-IBGZPJMESA-N 459.455 1.137 50 40 JDGB COc1ccc(C(=O)NNC(=O)COc2ccccc2F)cc1S(=O)(=O)N1CCCC1 9492806 JNNYGNCWVGCJOC-UHFFFAOYSA-N 451.476 1.459 50 40 JDGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 13148159 NDCYVHYCSVIULU-SMYPPPGRSA-N 482.002 1.828 50 40 JDGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1OC 20211172 VDFJWQXNYHDXHG-WSDLNYQXSA-N 495.510 1.774 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccnc2)c1CN1CCC(Cc2ccccc2)CC1 9210691 AQAROXPWDHKUKL-JFLMPSFJSA-N 486.540 1.846 50 40 JDGB O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC(F)F)cc1 12913127 ZDMQFHAAROUQEB-UHFFFAOYSA-N 455.439 1.384 50 40 JDGB C[C@H]1CCCCN1Cc1c(C(=O)N/N=C\c2cc(Cl)ccc2O)nnn1-c1nonc1N 25782449 DIHYUXGISLJIKT-LAIOCUFKSA-N 459.898 1.730 50 40 JDGB O=C(O)CC[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br 100747347 NRXFVCDLBRGEDJ-DUNLFLLMSA-N 453.083 1.082 50 40 JDGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)NNC(=O)c1ccccc1 408662849 PRIFSGMPEDFCCD-SNHGZMDHSA-N 461.474 1.840 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1-c1ccccc1 3095400 TUOVHEHPOJDPKM-AWQFTUOYSA-N 464.358 1.480 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C)c1ccccc1Cl 9500180 ZSPHSGYEROAPNS-ZVBGSRNCSA-N 473.910 1.461 50 40 JDGB C[C@H]1CCCCN1Cc1c(C(=O)N/N=C\c2ccc([N+](=O)[O-])s2)nnn1-c1nonc1N 33904300 UGYSUEFCKYQKBZ-JZGLZFLKSA-N 460.480 1.341 50 40 JDGB Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)N/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc21 89741528 QZBJBHMMNJMBLO-UFFVCSGVSA-N 451.399 1.201 50 40 JDGB C[C@H](CCC(=O)ON1C(=O)C[C@@H](S(=O)(=O)O)C1=O)SSc1ccncc1C(=O)N(C)C 306146179 BZNFRACCQKDBEB-ZWNOBZJWSA-N 491.569 1.166 50 40 JDGB COCc1cc(C)n(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c(=O)c1C#N 98087081 IJZBQFQTLCFGLJ-QPJQQBGISA-N 461.272 1.816 50 40 JDGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(O)cc1O 1529544622 KBSQSJJSEYCNTC-ZGRCRBMVSA-N 484.534 1.983 50 40 JDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@H](NC(N)=O)c2ccc(C)cc2)c1 24979711 FWPPDCRMFYEIJO-IBGZPJMESA-N 475.571 1.586 50 40 JDGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1 408754084 IJSWWJVJZUSVJZ-AFEQLLIESA-N 460.556 1.702 50 40 JDGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCC3)c(OC)c2)c1 409153952 NAVCLXHKRMUZRW-ZVHZXABRSA-N 454.483 1.794 50 40 JDGB COCCNC(=O)/C(C#N)=C/c1c(N2CCN(c3ccccc3)CC2)nc2c(C)cccn2c1=O 2206802 NPARPQSCMPMKCO-LVZFUZTISA-N 472.549 1.999 50 40 JDGB CN(C)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc1 2265858 YXAXUMNEQHRNJA-SSDVNMTOSA-N 462.430 1.638 50 40 JDGB NC(=O)NCCCC(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 9285229 UFRCXYCGSJWAQR-UHFFFAOYSA-N 498.359 1.459 50 40 JDGB C[C@@H]1C[C@H]1C(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 23187899 OBLSNEDHBUWOHA-SJKOYZFVSA-N 464.931 1.674 50 40 JDGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC3CC3)cc2OC)cc1 17471981 CLMOVAGXZQFHSG-ZMOGYAJESA-N 454.483 1.840 50 40 JDGB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 23787544 XOOBYDWPWUYSQK-XOQVKLMPSA-N 465.558 1.781 50 40 JDGB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 32768876 OIHGHKYFJNVPAU-KRWDZBQOSA-N 481.596 1.626 50 40 JDGB O=C(COc1nsnc1N1CCOCC1)N/N=C\c1sc(=O)n(Cc2ccccc2)c1Cl 35549275 MWTCIWYHZVPLJB-FBHDLOMBSA-N 494.986 1.829 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 409172662 FFXUAJBEYBECCO-DHRITJCHSA-N 456.499 1.542 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)N1CCOCC1 409249190 GTBPRLZPUKYDOL-JVWAILMASA-N 498.536 1.098 50 40 JDGB O=C(CNc1ccccc1F)NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3313958 ZDPDYJHENPKCRA-UHFFFAOYSA-N 467.548 1.276 50 40 JDGB CCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)CNC(=O)c2ccc(C)c(C)c2)cc1 9470694 JYHPTYMMSSMGTB-UHFFFAOYSA-N 454.527 1.884 50 40 JDGB CCOC(=O)C1CCN(C(=O)CCC(=O)NNC(=O)c2ccc(Br)cc2)CC1 9846847 SNSKAYAVGKANHR-UHFFFAOYSA-N 454.321 1.792 50 40 JDGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2cc(Br)ccc2O)c1 39986732 HKXUINICOGWFFW-JMIUGGIZSA-N 486.344 1.943 50 40 JDGB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H](C)Oc3ccccc3F)c2)C[C@H](C)O1 105348697 QKOBKWGCGQOBGA-JYJNAYRXSA-N 479.530 1.852 50 40 JDGB CCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1 408659480 JVHDPFCGTNATKD-DJQNJWNESA-N 497.331 1.811 50 40 JDGB Cc1c(S(=O)(=O)NNC(=O)C(O)(c2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C 1511310 BQCGALFBCKOQQO-UHFFFAOYSA-N 492.557 1.730 50 40 JDGB Cn1cnnc1SCc1c(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)nnn1-c1nonc1N 2454005 INHQOTHKERSGHA-GEVRCRHISA-N 493.435 1.436 50 40 JDGB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1[N+](=O)[O-] 408670391 POBDHANXUSQHOQ-ZDUSSCGKSA-N 474.857 1.914 50 40 JDGB Cc1nc2ccccn2c1C(=O)NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9586335 OGKCPNRIKRTVDO-UHFFFAOYSA-N 474.568 1.295 50 40 JDGB Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 12910502 RZCLFCXUTKREMB-UHFFFAOYSA-N 466.463 1.810 50 40 JDGB O=C(COC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)NNC(=O)c1ccccc1 408668563 VCSUBISBNQIRRK-INIZCTEOSA-N 451.435 1.080 50 40 JDGB Cc1ccc(CN2C[C@H](C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1 9506877 KKYSVHFDTWNDJH-HXUWFJFHSA-N 484.578 1.589 50 40 JDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 20214147 NGHJYMYFSMLTRZ-SRZZPIQSSA-N 498.355 1.917 50 40 JDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc1)NCCc1ccccc1 58873962 UVAQNWDNRUTRPL-STBIYBPSSA-N 459.506 1.586 50 40 JDGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3C[C@H](O)C[C@@H]3C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100770979 ICVRXJQFTIXGAJ-BBCIJJIUSA-N 497.541 1.564 50 40 JDGB biogenic COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](C)NC(=O)c2ccco2)c1 4647456 AYXFGVLEXGBOGY-CQSZACIVSA-N 486.506 1.669 50 40 JDGB O=C(NNC(=O)c1cc(F)c(F)cc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1 3448433 DCEQLSNCKVZRRF-UHFFFAOYSA-N 459.858 1.714 50 40 JDGB O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1=CC(=O)[C@H]2C=CC=C[C@H]2O1 9368873 VOWRUEWBUFFNMN-UYAOXDASSA-N 471.535 1.606 50 40 JDGB CCc1nc2ccccc2n1CC(=O)NNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 12556480 APVQRPSXNNSDOS-UHFFFAOYSA-N 475.596 1.909 50 40 JDGB Cc1ccc(C)c(-n2nnnc2SCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 13135047 SDKJOTAKCGRZOC-UHFFFAOYSA-N 474.572 1.126 50 40 JDGB Cc1nnn(C23C[C@H]4C[C@H](CC(C(=O)NN[C@@H]5CC(=O)N(c6cccc(C)c6C)C5=O)(C4)C2)C3)n1 102437074 BCMSYQAJNURIKK-PCKLHMSXSA-N 477.569 1.847 50 40 JDGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cc(Br)ccc2O)cc1OC 109127618 NDQIJWQKCYBBSC-DJKKODMXSA-N 472.317 1.601 50 40 JDGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(N)=O)c(OCC)c1 408914188 WBOGPFHQQHYUOR-VBYICHLGSA-N 456.499 1.757 50 40 JDGB CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)[C@H](C(=O)OC)C(=O)N1 409336750 UPMYNZWAGUADIA-MSOLQXFVSA-N 459.524 1.813 50 40 JDGB Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)cc2)cc1 12793045 OINFUAWIURWSCR-UHFFFAOYSA-N 472.548 1.769 50 40 JDGB CC(=O)Nc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1 408688823 XSGFXDATKACVMX-VTAJJLHNSA-N 482.320 1.592 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccncc2)c(OC)c1 408924044 NAQFPYHCWHVVHB-JVMMHGLMSA-N 453.455 1.420 50 40 JDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)ccc1O 9293462 JQORLDXERAYOST-FOKLQQMPSA-N 463.458 1.347 50 40 JDGB O=C(NNC(=O)c1cncc(Br)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9592948 CQXDMVMTTVCRLL-UHFFFAOYSA-N 453.318 1.703 50 40 JDGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CNC(=O)c3ccco3)c2)cc1 12520937 IAZCGDIUQMITGY-UHFFFAOYSA-N 472.479 1.280 50 40 JDGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 408729638 CVNXXVSDVSLDGQ-DNTJNYDQSA-N 499.421 2.028 50 40 JDGB N#CC1=C(N)n2c(s/c(=C\c3ccccc3[N+](=O)[O-])c2=O)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 1786463 MWOHUPUTVRGPOP-PMEBHBLGSA-N 472.442 1.678 50 40 JDGB CCC(=O)OC[C@@H]1O[C@H](n2nc(Br)c(O)nc2=O)[C@@H](Br)[C@@H]1OC(=O)CC 32123968 LMKFFNJPJUYLNP-CIECHNFXSA-N 499.112 1.042 50 40 JDGB biogenic Cc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1 408654682 KWDBWGRXFLQRMU-MRXNPFEDSA-N 472.885 1.146 50 40 JDGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccc([N+](=O)[O-])cc1 408731963 RGVGWRXNOLNIAJ-VXLYETTFSA-N 455.412 2.300 50 40 JDGB COCc1c(Br)c(C)n(CC(=O)N/N=C2\C(=O)N(C)c3ccccc32)c(=O)c1C#N 409223977 IAVLDVMYMKCDLL-MOHJPFBDSA-N 472.299 1.434 50 40 JDGB N#CCC(=O)N/N=C/c1cc(I)cc(I)c1O 8989839 JHSMYJNCGZAGLG-LHHJGKSTSA-N 454.993 1.965 50 40 JDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1OC 9292124 SEJMMRAYVRVEEJ-WYMPLXKRSA-N 477.485 1.650 50 40 JDGB COc1ccc(C(=O)N[C@H](CCSC)C(=O)NNC(=O)Cn2cnc3ccccc32)cc1 12564327 SERVNENKJWPYJV-GOSISDBHSA-N 455.540 1.744 50 40 JDGB C[C@@H](O)[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3)C(=O)O 100770397 LBTSRSJNTNGWCF-AXGAZZNMSA-N 485.530 1.468 50 40 JDGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)NNC(=O)c1ccccc1 408662846 PRIFSGMPEDFCCD-LVNJIZSUSA-N 461.474 1.840 50 40 JDGB COC(=O)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc1 1869217 DTOPCAWDQAAYDC-LSHDLFTRSA-N 477.397 1.358 50 40 JDGB CCN(CC)Cc1ccc(C(=O)NNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)o1 48355938 DBCHCHZPFZMSFT-UHFFFAOYSA-N 464.544 1.217 50 40 JDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(Cl)c([N+](=O)[O-])c1 102676088 ZLLAOYDHNSXRMX-ZBQKXELDSA-N 450.860 1.940 50 40 JDGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1nnc(NC(=O)c2cc(O)nc(O)n2)s1 408732805 ZNRMOQRHUPGPNC-DNTJNYDQSA-N 452.456 1.474 50 40 JDGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)c1 408796637 BENHBKFMSFAMAB-WGARJPEWSA-N 493.476 1.641 50 40 JDGB CC(=O)Nc1ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(NC(C)=O)cc2)cc1 8396820 JFPKAOPEPCCUSG-UHFFFAOYSA-N 496.524 1.386 50 40 JDGB COC(=O)COc1cccc(/C=N/NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1 20214809 GUONIXOGWMSKBD-NSMHLIOHSA-N 463.512 1.552 50 40 JDGB COc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1 9233379 UZVQGAJCPORLOQ-FOKLQQMPSA-N 462.426 1.791 50 40 JDGB O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C12CC3CC(CC(C3)C1)C2 9284481 RTVZWALTCXKRET-UHFFFAOYSA-N 483.612 1.233 50 40 JDGB O=C(Cc1nnc(NC(=O)CCl)s1)N/N=C/c1cc2c(cc1Br)OCO2 408731044 KDPGJEBWXFDJDA-YAXRCOADSA-N 460.697 1.899 50 40 JDGB C[C@@H](C(=O)NNC(=O)C[C@H]1CCS(=O)(=O)C1)n1c(-c2ccccc2)nc2ccccc2c1=O 9971145 ZRPYXFHXGMDGSM-JKSUJKDBSA-N 468.535 1.597 50 40 JDGB Cc1ccc(-c2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)n[nH]2)s1 23109094 ZREUHAZIDFMRTD-UHFFFAOYSA-N 475.552 1.542 50 40 JDGB O=C(N/N=C1\C(=O)N(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc21)c1ccco1 217417037 QZWDOZRWIMPRMN-HERGHKRHSA-N 457.490 1.999 50 40 JDGB CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1 409267479 VDUDNQHCETTWRX-RAQUAXEKSA-N 468.510 1.848 50 40 JDGB CCc1ccc(N2C[C@@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)CC2=O)cc1 9442248 IGVXTIAPHUKQSI-SFHVURJKSA-N 472.567 1.378 50 40 JDGB C#CCOc1c(I)cc(/C=N/NC(=O)CN2CCOCC2)cc1OCC 15018710 KSOUMPDDMNPPEP-UDWIEESQSA-N 471.295 1.484 50 40 JDGB CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1Br 59246572 OAPMPEROCYMHAV-UKWGHVSLSA-N 462.728 1.827 50 40 JDGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCC(=O)O 409230651 DXCVCZHQTILBDX-OQFOIZHKSA-N 459.196 1.255 50 40 JDGB CC(C)OC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1 139049235 LHSZGWOBSSPYBX-GOSISDBHSA-N 467.478 1.609 50 40 JDGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)OC)cc2)S(C)(=O)=O)cc1 408908092 TUTARKVBDUWQRA-YQCVNYCESA-N 477.539 1.942 50 40 JDGB Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)NNS(=O)(=O)c1ccccc1 2368915 VPYZGZNFLCPOKS-UHFFFAOYSA-N 452.539 1.876 50 40 JDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCN(c3ccc(Cl)nn3)CC2)c1 24756773 YHLHTBPGZPIEMV-UHFFFAOYSA-N 495.005 1.838 50 40 JDGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)N3CCCC3)NC(=O)[C@H]2C(=O)OC)cc1 409309804 MQIKYDRNLFQOID-MSOLQXFVSA-N 457.508 1.567 50 40 JDGB CSCC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)Cc1nc2ccccc2n1C 9337957 DEMFOYIOKFBCKS-KRWDZBQOSA-N 493.586 1.503 50 40 JDGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 13021443 BHSXMDQVWJADDF-AWEZNQCLSA-N 463.585 1.663 50 40 JDGB COc1cccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1OCC(=O)NCc1ccccc1 408606972 BIBGHNWIHPVPFT-QOOAEOCLSA-N 468.510 1.136 50 40 JDGB O=C(COC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)NNC(=O)c1ccc(Cl)cc1 408654380 BKXNZOUUJHFFLG-MRXNPFEDSA-N 485.880 1.733 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(N(C)C)o2)c(OC)c1 408921660 BVWFOAVWJYSEKR-ZGRCRBMVSA-N 485.497 1.684 50 40 JDGB COC(=O)C1=c2s/c(=C/c3ccccc3F)c(=O)n2[C@@H](c2ccccc2F)C(C#N)=C1N 20459022 DLCSGALGAZAADG-YZILGEIOSA-N 451.454 1.680 50 40 JDGB CCOc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(OC)ccc2OC)cc1OC 33760105 QRJKUQWWSWYCIX-XKZIYDEJSA-N 465.528 1.882 50 40 JDGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccncc3)cc2)cc1 58873965 UDSPBGVYUKXTSE-JFLMPSFJSA-N 461.478 1.874 50 40 JDGB C[C@H](C(=O)N1CCOCC1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100800990 KPICJABWXCJXFK-PPPRAXEDSA-N 464.154 1.012 50 40 JDGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)NNC(=O)c1ccccc1 408657661 HJPDCAQVRCYPSX-ZCLUNYJNSA-N 459.458 1.616 50 40 JDGB Cc1nnc(N2C(=O)c3ccc(C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)cc3C2=O)s1 408677453 APBRFYSVUQEJCW-UHFFFAOYSA-N 499.892 1.919 50 40 JDGB O=C(N/N=C/c1ccncc1)c1nnn(-c2ccc([N+](=O)[O-])cc2)c1C(=O)N/N=C/c1ccncc1 2738658 SKBXZVIJAKYBST-BKHCZYBLSA-N 484.436 1.493 50 40 JDGB CC(=O)c1c(NNC(=O)CCCCC(=O)NNc2oc(C)cc(=O)c2C(C)=O)oc(C)cc1=O 27525256 TUOWFGYZDPINMN-UHFFFAOYSA-N 474.470 1.762 50 40 JDGB O=C(Cc1c(F)cccc1Cl)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 3397154 NMSPQBKCPSYHEC-UHFFFAOYSA-N 455.895 1.504 50 40 JDGB N#CC1=C(S)N([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C(c2ccccc2)=C[C@H]1c1cccs1 5536915 SSZDHVOMNOQWBF-QHNHYIPBSA-N 458.561 1.653 50 40 JDGB O=C(CNC(=O)c1ccc2c(c1)OCCO2)N/N=C1/C(=O)Nc2ccc(Br)cc21 9308266 SEKRTPQIUQJCRQ-UHFFFAOYSA-N 459.256 1.423 50 40 JDGB CN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)cc1 9368736 QNGNVTSFPOFTMD-BHGWPJFGSA-N 456.446 1.836 50 40 JDGB Cn1c(CC(=O)NNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)nc2ccccc21 9438796 RKNHSKSSJFNPGY-UHFFFAOYSA-N 467.507 1.649 50 40 JDGB O=C(O[C@H](C(=O)NNC(=O)c1ccccc1O)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1 9973762 APLKZXVYGUMIPY-VQTJNVASSA-N 492.440 1.689 50 40 JDGB Cc1cc(SCC(=O)NNC(=S)NCCN2CCOCC2)c(C)cc1Br 25196572 RURBHEOXVGZMSJ-UHFFFAOYSA-N 461.451 1.986 50 40 JDGB Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1C 102377593 XIEOZZDYSUNARK-IERDGZPVSA-N 496.545 1.812 50 40 JDGB O=C(COc1ccc(Br)cc1)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408739438 BZPBRMCGLDJMGD-SBUZPKSBSA-N 475.324 1.994 50 40 JDGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 13148161 NDCYVHYCSVIULU-KJFMWHJSSA-N 482.002 1.828 50 40 JDGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1 18071856 VNFYJNFYQNAKFI-CYBMUJFWSA-N 455.558 1.467 50 40 JDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1 58881966 KWOPZXKBKRTVDF-ZMOGYAJESA-N 454.483 1.856 50 40 JDGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)NC3CC3)cccc2OC)cc1 408609205 JRJOWGPMKOVSRV-ZMOGYAJESA-N 454.483 1.840 50 40 JDGB COCc1cc(C)nc(OCC(=O)N/N=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1C#N 409007104 MZMBILPHHPPJET-MSXFZWOLSA-N 468.470 1.682 50 40 JDGB CN(C)N(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)[C@@H]1CCS(=O)(=O)C1 9114531 KRQUJSXAZCSOSK-GOSISDBHSA-N 463.581 1.544 50 40 JDGB COc1ccc([C@@H](CC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)NC(C)=O)cc1 10471260 SYPQSDMFAGXKRL-HXUWFJFHSA-N 476.555 1.039 50 40 JDGB CCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1 9497228 BMWUYASTSXMSEB-AUEPDCJTSA-N 462.426 1.791 50 40 JDGB COC(=O)[C@H](/C(=N\NC(N)=O)C(=O)Nc1ccc(C)cc1)c1nc2ccc([N+](=O)[O-])cc2nc1O 18089558 NPRPPINXHPFRTJ-HPUSGXDNSA-N 481.425 1.472 50 40 JDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(OC)c1 409167572 JFCYUGNYUSQREB-DHRITJCHSA-N 476.917 1.969 50 40 JDGB CN(Cc1c(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])nnn1-c1nonc1N)c1ccccc1 9013801 ZLXBOAZKUYRTLQ-SSDVNMTOSA-N 462.430 1.541 50 40 JDGB C=CCN(CC(=O)NNC(=O)COc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 9440088 WFVZYQDXJBNMOR-UHFFFAOYSA-N 455.895 1.882 50 40 JDGB Cc1ccc(C)c(-n2nnnc2SCC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 9586923 ILIPLUIBGVHSND-UHFFFAOYSA-N 488.599 1.434 50 40 JDGB CCCCC(=O)NN/C=C1\C(=O)NC(=O)N(c2ccc(I)cc2)C1=O 13798836 WZWMBTKGMITBQW-FMIVXFBMSA-N 456.240 1.569 50 40 JDGB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1 3300478 QBEGWFCLVOIRDY-UHFFFAOYSA-N 467.931 1.989 50 40 JDGB CCNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)c1 22613788 LKFNDMUQWDQMAG-UHFFFAOYSA-N 453.904 1.565 50 40 JDGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccccc3)o2)c1 408777842 JZQPTYVFKUBUBR-QRVIBDJDSA-N 486.506 1.864 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)N1CCCC1 409249887 JEJGOJWNIBEUTM-JVWAILMASA-N 482.537 1.862 50 40 JDGB Cc1cc(C(=O)NNC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c(C)o1 9580216 XZTSBJSQXIBHTF-UHFFFAOYSA-N 465.528 1.968 50 40 JDGB O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1ccc(Br)cc1 12675657 WHSTURKBGYVOBR-UHFFFAOYSA-N 459.256 1.233 50 40 JDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)c1 20211176 XXMIYTIYXGLQNV-WSDLNYQXSA-N 479.511 1.172 50 40 JDGB CCNc1nc(NCC)n2c(SCC(=O)NNc3oc(C)cc(=O)c3C(C)=O)nnc2n1 27525956 KAODEPXVWIHQQO-UHFFFAOYSA-N 461.508 1.083 50 40 JDGB CCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc1 408659482 JVHDPFCGTNATKD-PSWKNJSVSA-N 497.331 1.811 50 40 JDGB C[C@H](NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1)c1ccccc1 408870132 VLMBKGUYBXICPU-FFGRAEKCSA-N 461.478 1.862 50 40 JDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 409161801 AZGAXXXTRIJDJX-AFUMVMLFSA-N 456.499 1.624 50 40 JDGB O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)Cn1c(-c2ccccc2)nc2ccccc2c1=O 11990910 SCXFOUXHEZKSKK-HNNXBMFYSA-N 454.508 1.036 50 40 JDGB CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)Nc1ccccc1OC)c(=O)n2Cc1ccccc1 12745715 XIOPNXWRPLKLKI-UHFFFAOYSA-N 491.508 1.289 50 40 JDGB O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)NC2CCCCC2)C1 18192232 KSWUWMSNHSALOG-AWEZNQCLSA-N 453.521 1.659 50 40 JDGB C/C(=N\OCC(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 12980038 RVRNMCOFXCQDOM-FSJBWODESA-N 458.383 1.069 50 40 JDGB Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1 408654681 KWDBWGRXFLQRMU-INIZCTEOSA-N 472.885 1.146 50 40 JDGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(C)(=O)=O)cc1 408921795 XNQXQPULVZSSHR-LJGKHRNASA-N 462.528 1.254 50 40 JDGB N#CC1=C(N)n2c(s/c(=C/c3ccc([N+](=O)[O-])cc3)c2=O)=C(C#N)[C@@H]1c1ccc([N+](=O)[O-])cc1 3169404 PDJPRLYVVSNLDI-MMWCCMKASA-N 472.442 1.678 50 40 JDGB C[C@@H]1C[C@@H]1C(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 23187895 OBLSNEDHBUWOHA-PXAZEXFGSA-N 464.931 1.674 50 40 JDGB COc1cc(/C=N\NC(=O)c2ccncc2)cc(I)c1OCC(=O)O 408838150 RWKPHWWNJGCCBW-UWVJOHFNSA-N 455.208 1.922 50 40 JDGB CCn1c(NNC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)nc2ccccc2c1=O 11162302 MYFAHSUFDHLGOI-HNNXBMFYSA-N 480.550 1.721 50 40 JDGB CSCC[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 102072700 OFWVXUGPCJUTIZ-NLIUGFJSSA-N 455.168 1.971 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1cccc(OC)c1 409249435 JBIBATITBZHICT-SODVTCOWSA-N 498.536 1.857 50 40 JDGB Cn1cnnc1SCc1c(C(=O)N/N=C/c2cccc3ccccc23)nnn1-c1nonc1N 2447284 YZPYMYORKIIKRQ-LSFURLLWSA-N 475.498 1.570 50 40 JDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)c1 8848709 QSGLWGZHRCAQHP-GOSISDBHSA-N 495.989 1.931 50 40 JDGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 9442362 CWALZKULDNROQI-CYBMUJFWSA-N 455.533 1.903 50 40 JDGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](CC(C)C)NC(N)=O)c1 9511923 DFPZJTDWDOWZFL-QGZVFWFLSA-N 477.543 1.340 50 40 JDGB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1 12993355 GSEZQAGFBZDILU-HNNXBMFYSA-N 462.528 1.155 50 40 JDGB O=C(CNC(=O)c1ccccc1O)N/N=C1\C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 13775344 ZIFDGBDQAAQVLZ-NFFVHWSESA-N 472.457 1.918 50 40 JDGB O=C(O)c1ccccc1C(=O)N[C@@H](Cc1cccc(NP(=O)(N2CC2)N2CC2)c1)C(=O)O 104392876 RYRNSNWPFLNUTP-SFHVURJKSA-N 458.411 1.962 50 40 JDGB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O 408665576 FYHNKRHEHHNWRR-ZDUSSCGKSA-N 490.856 1.614 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCC(=O)N1CCOCC1 409260614 STMSIIBCMXMQEO-LQKURTRISA-N 496.564 1.823 50 40 JDGB O=C(O)CC[C@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 1744267 NRXFVCDLBRGEDJ-AUJMKFSLSA-N 453.083 1.082 50 40 JDGB Cc1ccc(C)c(N2C(=O)C(=O)[C@@H](c3nc4ccccc4s3)/C(=N/NC(=O)NN)C2=O)c1 102916969 ZNYHPZWSURWMDY-CRAHXNDLSA-N 450.480 1.668 50 40 JDGB COCCNC(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)[C@H](C(=O)OC)C(=O)N1 409309757 MBTUZEIXPDACPJ-CVEARBPZSA-N 482.356 1.683 50 40 JDGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 1251524 ZKBIOFKHENPZNY-BWAHOGKJSA-N 463.277 1.763 50 40 JDGB O=C(N/N=C1/C[C@@H](N2C(=O)c3ccccc3C2=O)[C@@H]2CO[C@@H]1O2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 101012471 FJURCDYCERCTFV-BYOIPOJGSA-N 481.377 1.399 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)c(OC)c1 409157165 QEDWHYZLDOPXAM-DHRITJCHSA-N 456.499 1.542 50 40 JDGB COc1ccccc1N1C(=O)C[C@H](N(NC(=O)c2cc(OC)c(OC)c(OC)c2)C(C)=O)C1=O 9304776 GTIKPSYQAKTLNK-INIZCTEOSA-N 471.466 1.546 50 40 JDGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cccnc2)c(OC)c1 16682499 HBJZWUWOYQOLGW-PXYXSCDOSA-N 467.482 1.810 50 40 JDGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)CC1 408974531 BCFHGODIPGTIBF-BUVRLJJBSA-N 456.499 1.520 50 40 JDGB CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)[C@@H](C(=O)OC)C(=O)N1 409336752 UPMYNZWAGUADIA-QZTJIDSGSA-N 459.524 1.813 50 40 JDGB C/C(=N\NC(=O)COc1ccccc1F)c1ccc(S(=O)(=O)NCCCC(=O)O)cc1 13060981 VZPLNPARLYKHMN-OEAKJJBVSA-N 451.476 1.888 50 40 JDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 103080011 QQXQDDFTCLNMRN-PGMHBOJBSA-N 486.525 1.819 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccccc1 409257025 RBVCBCGSSRVZBB-PYGAFPFSSA-N 454.483 1.458 50 40 JDGB O=C(COCC(=O)N1CCN(c2ccccc2F)CC1)NNC(=O)c1ccc(Br)cc1 9907303 LJLXXFRGMOACOT-UHFFFAOYSA-N 493.333 1.715 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 409150255 APJTUNPIZFEOSD-OPEKNORGSA-N 480.880 1.718 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(OC)c1 409161206 ZIIMTCVPTKQSIJ-WYMPLXKRSA-N 462.890 1.579 50 40 JDGB C[C@H](NC(N)=O)C(=O)NNc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 9612877 OQCFQRPJXFIBLA-VIFPVBQESA-N 456.868 1.549 50 40 JDGB C[C@@H](CCC(=O)ON1C(=O)C[C@H](S(C)(=O)=O)C1=O)SSc1ccc([N+](=O)[O-])cn1 306146953 QGJALSNSJKAIFI-ONGXEEELSA-N 463.515 1.529 50 40 JDGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(OCC)cc2)c2ccccc21 13774830 PZUDSVGAXAKLIL-QLYXXIJNSA-N 452.467 1.245 50 40 JDGB COc1ccc(-c2n[nH]cc2/C=N/NC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1OC 14923080 CQUVVYBMBLKQAO-PGGKNCGUSA-N 451.439 1.703 50 40 JDGB COc1cc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)N(C)C(=O)C(C#N)=C3C)cc2)nc(OC)n1 16693916 MKCMPGYTZVIABH-WJDWOHSUSA-N 484.494 1.429 50 40 JDGB O=C(NNS(=O)(=O)c1cccc2nsnc12)c1ccc(S(=O)(=O)N2CCCC2)cc1 19079026 UXJBIUAYZQWDFF-UHFFFAOYSA-N 467.554 1.099 50 40 JDGB COCCn1nc(C(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)ccc1=O 21896735 NMXAANWUROZGCI-UHFFFAOYSA-N 452.467 1.309 50 40 JDGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)ccc1O 1871068 VWYLJVQWUFWBSH-LSHDLFTRSA-N 479.413 1.676 50 40 JDGB COc1ccc(C(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)cc1S(=O)(=O)N1CCCC1 9544433 LYSORJBZMCJLOQ-UHFFFAOYSA-N 487.513 1.879 50 40 JDGB COc1ccc(CC(=O)NNC(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 9713586 PZOQBRRXQFYHEC-UHFFFAOYSA-N 467.931 1.373 50 40 JDGB CC(=O)N[C@@H](CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 9912508 FWSUCTDHNVXZMN-FQEVSTJZSA-N 458.540 1.500 50 40 JDGB O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1=CC(=O)[C@@H]2C=CC=C[C@@H]2O1 100816499 VOWRUEWBUFFNMN-ICSRJNTNSA-N 471.535 1.606 50 40 JDGB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 12800986 BDAKMTCBYZOASD-OAHLLOKOSA-N 493.611 1.301 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)c1cc(Cl)cc(Cl)c1 28213401 FWNCNHSHDUGCMT-LSFURLLWSA-N 473.338 1.774 50 40 JDGB O=C(N/N=C1\C(=O)N(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc21)c1ccco1 2129390 QZWDOZRWIMPRMN-AWWYYBHASA-N 457.490 1.999 50 40 JDGB biogenic COc1cccc(-c2c(C(=O)N/N=C/c3cccc(OC)c3OC)nnn2-c2nonc2N)c1 9307202 JGEZVLOCYCVJJQ-FOKLQQMPSA-N 464.442 1.689 50 40 JDGB CCCn1nc(C(=O)NNC(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)c2ccccc2c1=O 12853562 AEYJTDWLBRPHJO-ZDUSSCGKSA-N 472.527 1.624 50 40 JDGB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NNC(=O)CSc1nnc(Nc2cccc(OC)c2)s1 21021205 SUGGMWUXJNSKBO-QMTHXVAHSA-N 467.577 1.613 50 40 JDGB C=CCN1/C(=N\C=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)S[C@@H]2CS(=O)(=O)C[C@@H]21 36597452 OFLMKAIZSDCAEC-LYOOAXCHSA-N 490.607 1.526 50 40 JDGB COc1cccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Br)cc3)CC2=O)c1 408644134 DGMJNTNLTLYYMA-AWEZNQCLSA-N 490.310 1.815 50 40 JDGB COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(O)c(I)c2)cc1OC 8402168 NSXUGERCTWYVTN-ZVBGSRNCSA-N 483.262 1.894 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Br)c1OCC(=O)N1CCOCC1 409154011 FNHUQIIRGYWBET-SSDVNMTOSA-N 499.362 1.060 50 40 JDGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCC(=O)OC 409232469 IEYOETOTVQTEIC-WMZJFQQLSA-N 473.223 1.344 50 40 JDGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc(Br)c1O 1897114 XDEIHPRENUHDMS-IFRROFPPSA-N 479.295 1.987 50 40 JDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2=NN(c3ccccc3)C(=O)CC2)c1 9186428 FLOMAXQSBBKFIF-UHFFFAOYSA-N 471.539 1.661 50 40 JDGB COc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CN(C)C1CCCCC1 9479714 YFFIDNHZKDTGPL-FSJBWODESA-N 453.507 1.770 50 40 JDGB COc1cc(OC)cc(C(=O)NNC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c1 13131211 WWJJTKRHHNNWNO-UHFFFAOYSA-N 483.308 1.318 50 40 JDGB CN1CCN(CN2C(=O)/C(=N\NC(=O)c3ccccn3)c3cc(Br)ccc32)CC1 20220167 FQFMMWNIGWGJLG-NKFKGCMQSA-N 457.332 1.530 50 40 JDGB COC(=O)C1=c2s/c(=C\c3ccccc3F)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1F 988957 SFDWCWXTTXPWTE-DAIOKFOQSA-N 451.454 1.789 50 40 JDGB CN1C(=O)/C(=N\NC(=O)CCCCC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccccc21 8398793 CZLFGFIZCWUYJO-KKTFQPMKSA-N 460.494 1.541 50 40 JDGB CCCn1c(=O)n(CCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c2ccccc21 17407078 WUUDBSKTHWCPMN-UHFFFAOYSA-N 487.582 1.380 50 40 JDGB C=CCOc1c(I)cc(/C=N/NC(=O)CN2CCOCC2)cc1OC 59246406 VHQKEQXDPIGPCV-YBFXNURJSA-N 459.284 1.647 50 40 JDGB CCC(=O)NNC(=O)CC[C@H](C(=O)NNC(=O)CC)P(=O)(c1ccccc1)c1ccccc1 102058456 HWENIDDTVYUAJB-LJQANCHMSA-N 472.482 1.264 50 40 JDGB CCc1ccc(N2C[C@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)CC2=O)cc1 9442247 IGVXTIAPHUKQSI-GOSISDBHSA-N 472.567 1.378 50 40 JDGB COc1cc(Br)c(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1OC 12990417 PUEHUFLCALPMDZ-UHFFFAOYSA-N 459.274 1.818 50 40 JDGB O=C(O)COc1c(Br)cc(/C=N\NC(=O)CN2CCOCC2)cc1Br 59246544 VVFZKKQXDJPSDV-WSVATBPTSA-N 479.125 1.457 50 40 JDGB C/C(N)=C(\C#N)C(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 104851248 VVBXTYOPHAANSE-SYCZXOQXSA-N 458.334 1.621 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2F)c(OC)c1 409152401 KGEQORFDDYMUJT-OPEKNORGSA-N 480.880 1.718 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 409172577 DAMJCMPONFUXFU-KKMKTNMSSA-N 496.442 1.944 50 40 JDGB O=C(COc1ccc(Br)cc1Br)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 8763863 OWIZVXKQGTWILR-VIFPVBQESA-N 484.166 1.563 50 40 JDGB CC(C)NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408803208 MKNINNRPIARAJU-AQHIEDMUSA-N 468.297 1.816 50 40 JDGB COc1ccc(CNC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)cc1 408803368 OBRCFJNVGURPTN-DICXZTSXSA-N 477.477 1.310 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/C=C/c2ccccc2)c1CSC1=NCCS1 2220795 VNHAENMCKQOXQN-WXEZRFCZSA-N 455.529 1.998 50 40 JDGB O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 8826312 UMMGLVNXOUEQLF-IBGZPJMESA-N 493.564 1.170 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 13522080 ZUUFNPMVGRINCL-UHFFFAOYSA-N 476.599 1.096 50 40 JDGB O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NNC(=S)NC[C@@H]1CCCO1 15899699 RDAWEMMSGDVQOB-LBPRGKRZSA-N 454.496 1.048 50 40 JDGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1OC 16215499 OTVVEYOJTREXCB-WSDLNYQXSA-N 495.510 1.774 50 40 JDGB COc1cc(N2C(=O)/C(=C\NNC(=O)c3ccccc3O)C(O)=NC2=S)cc(OC)c1OC 38170423 SJDGZQIQKDZJEB-RAXLEYEMSA-N 472.479 1.825 50 40 JDGB CC(C)N1C(=O)/C(=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccccc21 102982602 GMLYEYYTEIYZEJ-BSYVCWPDSA-N 456.524 1.597 50 40 JDGB O=C(N/N=C1/C[C@H](N2C(=O)c3ccccc3C2=O)[C@H]2CO[C@H]1O2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 225122222 FJURCDYCERCTFV-SPZHINNISA-N 481.377 1.399 50 40 JDGB biogenic COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCC(N)=O 408971932 MFIHTCFMCZQOAE-LZKBWWOWSA-N 484.553 1.928 50 40 JDGB COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 9003828 IUPNHUWQAIQYOP-ASNKMWSDSA-N 480.502 1.706 50 40 JDGB CCN(CC)c1ccc(C(=O)NNC(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)cc1 9119056 GDJYAWJHCDBHLC-UHFFFAOYSA-N 465.601 1.731 50 40 JDGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 408766392 DEIKMDXLMGPKKH-MTJSOVHGSA-N 471.451 1.755 50 40 JDGB COc1cc(C(=O)N/N=C\c2ccc(OCC(N)=O)cc2)ccc1I 33334270 LPUZTHCARIGDFX-UKWGHVSLSA-N 453.236 1.928 50 40 JDGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1)NNC(=O)c1ccccc1 408671435 YCNASVGECGUOBU-USNOLKROSA-N 461.474 1.840 50 40 JDGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NC(C)(C)C)o2)cc1 408884854 VQXKBPCGQOWOKY-MXAYSNPKSA-N 485.497 1.076 50 40 JDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 3425693 AHQJDWWREHGNOH-FQEVSTJZSA-N 459.524 1.852 50 40 JDGB CSCC[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 15948158 UXMHXLFPFXCUKQ-QGZVFWFLSA-N 494.595 1.377 50 40 JDGB O=C(NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)C(=O)NC1CC1 32741393 KIOIMPQEMHUHMU-LJQANCHMSA-N 467.913 1.588 50 40 JDGB O=C(CCCC(=O)OCC(=O)NNC(=O)c1ccccc1Cl)NNC(=O)c1ccccc1 138827717 AXFJNKWTDTXVTF-UHFFFAOYSA-N 460.874 1.276 50 40 JDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 3442337 GDIRQCYOSBHZOW-QGZVFWFLSA-N 465.915 1.726 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c1CN1CCCC1 8406693 MHUDMTZIWKDSEI-ODCIPOBUSA-N 450.290 1.899 50 40 JDGB COc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2COc2ccccc2)cc1OC 9332731 KJMYWSKUZIKJLY-ZMOGYAJESA-N 478.469 1.983 50 40 JDGB CCOc1cc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1O 30742614 KRPIVIAMDQKBJO-HAHDFKILSA-N 460.556 1.556 50 40 JDGB C/C(=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccncc1 36001128 WLWVBUXURXXPLZ-JCMHNJIXSA-N 480.388 1.691 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OC)c(O)c2)c(OC)c1 408922784 HCHIOWANBJLTSM-CVROGOTKSA-N 498.492 1.739 50 40 JDGB COc1ccc(/C=N/OCC(=O)N/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1 2254762 PGKWWUMRLXITLQ-FZRHZMRZSA-N 451.483 1.203 50 40 JDGB CCCCn1c(SCC(=O)NNC(=O)c2ccco2)nc2cc(S(N)(=O)=O)ccc21 9199075 ACUJTNQQWINQRH-UHFFFAOYSA-N 451.530 1.630 50 40 JDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1 16186778 IAWFDGJGAMTMHK-CIAFOILYSA-N 451.501 1.492 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)ccc1OCC(=O)N1CCOCC1 409164446 IPNRGFGOQKWWOR-MFKUBSTISA-N 484.509 1.420 50 40 JDGB COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CNC(=O)c1ccc(Br)o1 3340983 KIQSEZQSYGOLAY-UHFFFAOYSA-N 488.678 1.438 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 13788129 WHHUCWIDEBKYDY-AUEPDCJTSA-N 476.409 1.511 50 40 JDGB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2c[nH]c3ccccc23)cc1 16148210 NSBPQKWGAFXBSZ-UHFFFAOYSA-N 450.542 1.822 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C(F)(F)F)c1 409164804 OBMGPRZLLGMHQA-RPPGKUMJSA-N 466.416 1.936 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1cccc(OC)c1 409249433 JBIBATITBZHICT-RXJBCPCZSA-N 498.536 1.857 50 40 JDGB NC(=O)c1ccccc1NCc1c(C(=O)N/N=C/c2c[nH]c3ccccc23)nnn1-c1nonc1N 9308168 CVGASUOLADFIGY-YPXUMCKCSA-N 485.468 1.189 50 40 JDGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 12702692 FHBQQPHYPLFIMP-AWEZNQCLSA-N 453.565 1.696 50 40 JDGB C[C@H]1CCCCN1Cc1c(C(=O)N/N=C\c2ccc(N(C)C)cc2)nnn1-c1nonc1N 33923758 YSFNNVZVBIIIKD-IIHGDPFSSA-N 452.523 1.437 50 40 JDGB CCCN1C(=O)/C(=N\NC(=O)CC(=O)N/N=C2\C(=O)N(CCC)c3ccccc32)c2ccccc21 101165432 BFOSFUWWQCSCNT-UNVYMFJTSA-N 474.521 1.931 50 40 JDGB COc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)c(OC)c1 408650903 AGKHXKUKCOOFKW-ZDUSSCGKSA-N 475.885 1.715 50 40 JDGB CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCCOC)cc1 409159304 SJZAICCLFXSLIS-MFKUBSTISA-N 456.499 1.706 50 40 JDGB O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC(F)(F)F)cc1 9509795 UARYWFJFMNWSJM-UHFFFAOYSA-N 473.429 1.681 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CSc2ncnc3sccc23)cc1 13134035 BZLYPGBBSWLORW-UHFFFAOYSA-N 465.582 1.560 50 40 JDGB COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@H](NNC(=O)c3ccccc3Cl)C2=O)c1 100916357 BCDXBCGUBBKVCG-INIZCTEOSA-N 459.842 1.480 50 40 JDGB CCOc1c(Br)cc(C(=O)NNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1OC 9500492 GKVCRZNLAVURRW-UHFFFAOYSA-N 483.319 1.482 50 40 JDGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)CC(=O)N/N=C/c1cc(OC)c(OC)cc1OC 28632268 PHWOEKJVTPYWBY-DWGHPKEWSA-N 488.497 1.729 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccncc2)c(OC)c1 408924042 NAQFPYHCWHVVHB-DGPKFNOPSA-N 453.455 1.420 50 40 JDGB COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(N)=O 409253720 GNPBFFLDQVIIBF-ZBKNUEDVSA-N 451.233 1.994 50 40 JDGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 2276967 TWTUEBNOLIHQBX-MEFGMAGPSA-N 450.495 1.754 50 40 JDGB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NNc2c(F)c(F)cc(F)c2F)cc1C 2634561 RRTVCWZRJGXWHU-UHFFFAOYSA-N 462.425 1.398 50 40 JDGB C=CCN1/C(=N/C=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)S[C@H]2CS(=O)(=O)C[C@@H]21 9130515 OFLMKAIZSDCAEC-SULDOSMISA-N 490.607 1.526 50 40 JDGB COc1ccc(C(=O)NNC(=S)NCc2ccccc2)cc1S(=O)(=O)NCc1cccnc1 9586299 AERQGXJSBBBCQU-UHFFFAOYSA-N 485.591 1.878 50 40 JDGB O=C(C[C@H]1[C@]2([N+](=O)[O-])CN(CCBr)C[C@@]1([N+](=O)[O-])C=CC2=O)c1ccccc1 15276636 MTENKZVOGGZLEC-BPQIPLTHSA-N 452.261 1.756 50 40 JDGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)C(=O)N1CCOCC1 33768774 KCBQCUFXTPETDF-WJDWOHSUSA-N 464.316 1.452 50 40 JDGB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)NNC(=O)c1ccccc1Cl 408673312 ZURBAYFGUJSAAD-GFCCVEGCSA-N 460.830 1.606 50 40 JDGB COc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O 408684621 PKCHOLHYLOUJRN-MTJCSHQQSA-N 455.294 1.643 50 40 JDGB C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 15386819 HPHKVOMACANHRD-LBPRGKRZSA-N 470.345 1.928 50 40 JDGB COc1ccc(/C=N/OCC(=O)N/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1OC 20023382 PZZSGDZEUIGYHW-BYQOOLQGSA-N 481.509 1.211 50 40 JDGB O=C(CCC(=O)c1ccccc1)NCCC(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 49580896 BTMUWRPJOJRZJP-UHFFFAOYSA-N 470.438 1.068 50 40 JDGB CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)NCc1ccco1 408610559 OEERRULDYLDACQ-LSFURLLWSA-N 451.277 1.324 50 40 JDGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCCC2)cc1OC 409257851 QTQGEPPVWMZBRZ-JVWAILMASA-N 482.537 1.514 50 40 JDGB O=C(O)CCCOc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1F 58232453 DGNUHRADHLSCLP-UHFFFAOYSA-N 454.432 1.464 50 40 JDGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl)Nc1cccc([N+](=O)[O-])c1 408669956 WMEVKEGFLLIMBU-BXLNKUBBSA-N 470.265 1.542 50 40 JDGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)NCc3ccco3)NC(=O)[C@@H]2C(=O)OC)cc1 409304091 PYXTWQLWCUFAJC-RBUKOAKNSA-N 483.502 1.854 50 40 JDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)ccc1O 1869039 LCKHEZHFIPWJDN-ZVBGSRNCSA-N 465.386 1.286 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cc1 12972285 AUSPTAYBQPTOLR-GOSISDBHSA-N 479.580 1.011 50 40 JDGB CCOC(=O)C1=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@@H](c2cccc(OC)c2)C(C#N)=C1N 20459014 XIOYPXNOHRGJJG-AGIMELGASA-N 489.553 1.809 50 40 JDGB CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)CC1 26841966 XWDRUCBKYJIGRS-GDLUXTLDSA-N 450.543 1.347 50 40 JDGB O=C(NNC(=S)Nc1ccccc1F)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 40049300 ZBVRTTSZTKXLBK-INIZCTEOSA-N 480.543 1.768 50 40 JDGB O=C(COc1ccccc1[N+](=O)[O-])NN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 100572034 HDAOIHGNWJDLDW-ZDUSSCGKSA-N 463.244 1.689 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Br)c1O 409263328 MCCBPSIMTVRLHL-ODCIPOBUSA-N 450.245 1.659 50 40 JDGB C/C(=C/CO)CCC1=C(C=O)C[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@](C)(CO)CCC[C@@]12C 1534688739 IQHRODLFQNPIDT-FKXLZDDOSA-N 468.587 1.234 50 40 JDGB COc1cc(C(=O)NNC(=O)COc2ccc(C)cc2)ccc1OCC(=O)N1CCOCC1 17112162 GBNGJLDGDPVRBJ-UHFFFAOYSA-N 457.483 1.081 50 40 JDGB NC(=O)COc1cccc(C(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1 28410475 REAVPFVKPWAKKH-UHFFFAOYSA-N 456.462 1.873 50 40 JDGB CCOc1cc(/C=N\NC(=O)COc2ccc(OC)cc2)ccc1OCC(=O)N1CCOCC1 409015077 AGWHFHTZKCXYJW-MYYYXRDXSA-N 471.510 1.861 50 40 JDGB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3n[nH]c(=O)c4ccccc34)c2)C1 9545877 MNSFXYPTBCAQHX-HUUCEWRRSA-N 483.550 1.665 50 40 JDGB COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CCNC(=O)CCC(=O)c1ccccc1 16046886 SPKKSGBHZSWLCC-UHFFFAOYSA-N 489.912 1.822 50 40 JDGB CSCC[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 103050302 OFWVXUGPCJUTIZ-XNPBBBCRSA-N 455.168 1.971 50 40 JDGB C[C@H]1CN2C[C@H](C)O[Si](CC[Si]34O[C@@H](C)CN(C[C@@H](C)O3)C[C@@H](C)O4)(O1)O[C@H](C)C2 195752869 WDOAPTXXCFTTKA-NFOOEKENSA-N 460.720 1.953 50 40 JDGB COC(=O)[C@H](CCSSCC[C@@H](NC(=O)C(F)(F)F)C(=O)OC)NC(=O)C(F)(F)F 196366368 JGSAOIPJFPLDIY-OCAPTIKFSA-N 488.428 1.588 50 40 JDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 409023135 MQYIHHAWJASTJM-RGVLZGJSSA-N 464.456 1.063 50 40 JDGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc2OC)cc1 409170954 XISMDNMQSILAAD-DHRITJCHSA-N 456.499 1.944 50 40 JDGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)NCc3ccco3)NC(=O)[C@H]2C(=O)OC)cc1 409304089 PYXTWQLWCUFAJC-OALUTQOASA-N 483.502 1.854 50 40 JDGB O=C(CC(=O)N/N=C1\C(=O)Nc2ccc(Cl)cc21)N/N=C1\C(=O)Nc2ccc(Cl)cc21 1480541 OVTOFQHOZPQJAE-UHFFFAOYSA-N 459.249 1.629 50 40 JDGB N#CC1=C(N)n2c(s/c(=C/c3ccc4c(c3)OCO4)c2=O)=C(C#N)[C@H]1c1ccc2c(c1)OCO2 2920429 MVNCAZXPJWYDBP-QBCQPUPZSA-N 470.466 1.319 50 40 JDGB Cc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCCCC1 3395690 AUZSDIIIXPMKGP-IBGZPJMESA-N 459.524 1.771 50 40 JDGB CCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 9368756 FUMMGIUUSQROFE-BUVRLJJBSA-N 458.540 1.750 50 40 JDGB CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cc3c(s1)CCC3)c(=O)n2Cc1ccccc1 10124522 ADOIZAOLGGDVEN-UHFFFAOYSA-N 492.561 1.439 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c1-c1ccc2c(c1)OCO2 13805317 XFWXYJHOGZJIDF-QPJQQBGISA-N 462.382 1.121 50 40 JDGB O=C(O)CS[C@H](NNC(=O)C(=O)NN[C@@H](SCC(=O)O)c1ccccc1)c1ccccc1 16758411 ZCSDAMAXHPJBDD-PMACEKPBSA-N 478.552 1.261 50 40 JDGB O=C(O)COc1ccccc1/C=N/NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 8880918 AUTIFRZULDGDCU-HZHRSRAPSA-N 475.523 1.254 50 40 JDGB Cc1ccc(/C=N/NC(=O)Cn2c(Nc3cccc(C)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1 10272094 XBGOOOVADDWLLW-DHRITJCHSA-N 459.510 1.944 50 40 JDGB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3n[nH]c(=O)c4ccccc34)c2)C1 12542817 MNSFXYPTBCAQHX-GASCZTMLSA-N 483.550 1.665 50 40 JDGB COC(=O)C1=c2s/c(=C\c3ccccc3OC)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1OC 989329 CDYNTXSYJYQWBQ-CBXNMNPBSA-N 475.526 1.528 50 40 JDGB Cc1cccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)n2C)c1 6088939 QLNUZFNYNNWPBB-UHFFFAOYSA-N 474.568 1.715 50 40 JDGB Cn1c2c(c(=O)n(C)c1=O)[C@@]1(C(=O)N(Cc3ccc(F)cc3)c3ccccc31)C(C#N)=C(N)O2 104762718 STCLLMSGMABOMW-DEOSSOPVSA-N 459.437 1.142 50 40 JDGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1OC 23382714 AMTABDFCRAIYPJ-ZVHZXABRSA-N 456.499 1.504 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCC(=O)Nc1cccc(C)c1 409159860 VKYYRPCIVGBVQP-AFUMVMLFSA-N 456.499 1.624 50 40 JDGB COc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1 409267968 XIOPRFFUJTYSNK-HUHXJTTESA-N 454.483 1.458 50 40 JDGB CCn1c(NNC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)nc2ccccc2c1=O 11156164 COENSIHZKRHFKJ-HZPDHXFCSA-N 485.566 1.971 50 40 JDGB C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNC(=O)Cc3ccc(OC)cc3)nnc12 12516617 KKVZZWDTISAVCF-UHFFFAOYSA-N 478.534 1.721 50 40 JDGB O=C(CNC(=O)c1ccncc1)N/N=C1\C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 2289211 TZQMIWVRZARFJW-SLMZUGIISA-N 457.446 1.607 50 40 JDGB COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccc(F)c1)C=2C(=O)Nc1cccc(C)c1 3769916 YNAGSKQVEGBLRU-ZMUHTPIZSA-N 490.516 1.549 50 40 JDGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c1 12753862 HZGUEIVXWUBLPL-ROUUACIJSA-N 475.567 1.941 50 40 JDGB Cc1cc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)no1 102072174 VSVRKMIEBXLUGO-BOCQSXMYSA-N 461.110 1.699 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cc(Cl)ccc2O)c1-c1ccc2c(c1)OCO2 1885247 YFBCIOHUHOTCPS-QPJQQBGISA-N 468.817 1.751 50 40 JDGB CN(Cc1c(C(=O)N/N=C/c2cc(Cl)ccc2O)nnn1-c1nonc1N)c1ccccc1 9293582 ZJMMQIJPXMJIIF-AUEPDCJTSA-N 467.877 1.992 50 40 JDGB COc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C)cc1S(=O)(=O)N1CCCC1 14115591 HZLBBXFBMNQYTH-UHFFFAOYSA-N 461.540 1.937 50 40 JDGB CCOC(=O)C1=NO[C@@H](Cc2c(/C=N\NC(=O)c3ccncc3)c(OC)c3c(c2OC)OCO3)C1 15085377 DHXPRMSENHDWDI-MVJNIROCSA-N 484.465 1.842 50 40 JDGB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCC(=O)NNC(=O)c1cccs1 9612515 TZKUQTAEGVADRG-UHFFFAOYSA-N 495.579 1.939 50 40 JDGB CN(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(Br)cc1 16186921 GJSSQXHAOMZMFG-VXLYETTFSA-N 454.302 1.918 50 40 JDGB O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)C12C3C4C1C1C2C3C41C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1 32109911 DJHZUTDBJNPTMU-UMOSFCNPSA-N 486.444 1.841 50 40 JDGB COc1cccc(-c2c(C(=O)N/N=C/c3ccc(O)c(OC)c3)nnn2-c2nonc2N)c1 1877211 LVNVFYPKUYJCGG-LSHDLFTRSA-N 450.415 1.386 50 40 JDGB COc1cc(C(=O)NCC(=O)N/N=C2\C(=O)N(CCCC#N)c3ccccc32)cc(OC)c1OC 2336948 CEBGDBDUOLTTSQ-HFTWOUSFSA-N 479.493 1.613 50 40 JDGB O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Br)cc1 3612139 BLIDGVGVVUOMBD-UHFFFAOYSA-N 468.329 1.545 50 40 JDGB CCc1ccc(OCC(=O)NNC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)cc1 48341132 MAKBRNZKAXIXOK-IBGZPJMESA-N 456.499 1.336 50 40 JDGB CCOc1cc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)ccc1O 408774030 LFVJBTZSHZDATB-CIAFOILYSA-N 451.501 1.724 50 40 JDGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 25484700 BFKGZEHBIRLLGC-CQSZACIVSA-N 481.502 1.222 50 40 JDGB CS(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccc(Br)cc21)c1ccc(F)cc1 408776006 MFTWFEWLFGHZHK-UHFFFAOYSA-N 469.292 1.827 50 40 JDGB N#C/C(=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)N1CCN(c2ccccc2)CC1 408848411 YSLUQOZKHCHTNN-DNCJFXNASA-N 459.531 1.849 50 40 JDGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)cc1 408999334 UUFVTSVFSVJNCX-BUVRLJJBSA-N 454.483 1.046 50 40 JDGB O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 8826311 UMMGLVNXOUEQLF-LJQANCHMSA-N 493.564 1.170 50 40 JDGB COC(=O)c1ccc(C(=O)OC)c(N/C=C2\C(=O)N(CCN3CCOCC3)C(=O)C(C#N)=C2C)c1 9421944 WCAZTAAHWYIUNC-RGEXLXHISA-N 482.493 1.097 50 40 JDGB CN(CC(=O)NNC(=O)c1cncn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 16046002 DANNABSRUCPJSD-UHFFFAOYSA-N 465.894 1.747 50 40 JDGB COc1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)cc1OC 33757217 YCRLBXXFHZSDSY-ICXMQADFSA-N 469.506 1.388 50 40 JDGB NNC(=O)N/N=C1\C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C(=O)[C@@H]1c1nc2ccccc2o1 104278163 ONBAUDJTSFOGPV-PTWUNYSCSA-N 475.248 1.890 50 40 JDGB O=C(NNS(=O)(=O)c1ccc(Cl)s1)c1cccc(S(=O)(=O)N2CCOCC2)c1 2642919 OEMJGMBQVBEVLH-UHFFFAOYSA-N 465.962 1.046 50 40 JDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(Cl)c([N+](=O)[O-])c1 8990972 ZLLAOYDHNSXRMX-UGMNDJHYSA-N 450.860 1.940 50 40 JDGB COc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)cc1 9108974 QSVMTWWXHPICQM-OEAKJJBVSA-N 453.507 1.627 50 40 JDGB CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O)cccc12 31393192 USWIMCHOXDPGKC-KBPBESRZSA-N 473.598 1.431 50 40 JDGB COCc1cc(C)n(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)c(=O)c1C#N 409225106 OXMPWANFWKWURI-UHFFFAOYSA-N 458.272 1.410 50 40 JDGB CC(=O)OC[C@@H]1O[C@@H](n2nnc(CCl)c2CCl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5439763 AOOJZUQUEKZUJM-KFGODFMUSA-N 496.300 1.011 50 40 JDGB O=S(=O)(O)CCOC[C@H]1CSSC[C@H](COCCS(=O)(=O)O)SS1 12658019 KQUKTPXDCNNGOC-UWVGGRQHSA-N 460.664 1.309 50 40 JDGB biogenic C[C@@H](C(=O)N1CCOCC1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100800988 KPICJABWXCJXFK-BLTCOFLISA-N 464.154 1.012 50 40 JDGB C[C@H]1CN2C[C@H](C)O[Si](CC[Si]34O[C@@H](C)CN(C[C@H](C)O3)C[C@@H](C)O4)(O1)O[C@H](C)C2 195752870 WDOAPTXXCFTTKA-CFSBILQPSA-N 460.720 1.953 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409168084 KBPDEMGDOPIDOW-RPPGKUMJSA-N 466.416 1.936 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)c(Cl)c1 409170853 WTSUSOFSLJNGPZ-BHGWPJFGSA-N 450.854 1.709 50 40 JDGB COC(=O)C1=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 2223907 SRKQWRGMYXJBBK-CBXNMNPBSA-N 475.526 1.528 50 40 JDGB O=C(N[C@H](Cc1ccccc1)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 9396724 QWDHFCWFTXWLDX-HXUWFJFHSA-N 455.474 1.725 50 40 JDGB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 23787545 XOOBYDWPWUYSQK-ZDCBYCKXSA-N 465.558 1.781 50 40 JDGB C[C@@H]1CCCCN1Cc1c(C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)nnn1-c1nonc1N 39948768 SNXVBKPEVWMLRK-RRSAXVHRSA-N 454.451 1.279 50 40 JDGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c(OC)c1 58881889 WNFYFQIKFHMKGY-KXQYEYADSA-N 484.509 1.467 50 40 JDGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)NCc1ccco1 408606768 AWKCVRIFUXYTRZ-AUEPDCJTSA-N 463.288 1.490 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(C)c2C)c(OC)c1 408925013 ROWONKCOEXOBLU-CVROGOTKSA-N 483.525 1.981 50 40 JDGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)cc1 409270384 FEIBFOVKPYAAAV-ZVHZXABRSA-N 470.482 1.030 50 40 JDGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1)NCc1ccccc1 409255561 IABUUUYWUVXNSH-WKULSOCRSA-N 488.500 1.877 50 40 JDGB C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 9506945 GGLQMOVDRWMDAL-ZDUSSCGKSA-N 450.904 1.447 50 40 JDGB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)NNC(=O)C(=O)NC2CC2)cc1 10215943 ACXROMHDTOQDKT-OAQYLSRUSA-N 477.521 1.579 50 40 JDGB COc1ccc(C(=O)OCC(=O)/C(C#N)=C(/C)N)cc1S(=O)(=O)N(C)Cc1ccccc1 104303369 WRRZSAFSYSBXNU-SDXDJHTJSA-N 457.508 1.998 50 40 JDGB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(Br)cc1 408666582 RCPGNIBVUQNMEQ-UHFFFAOYSA-N 460.240 1.050 50 40 JDGB COC(=O)C1=c2s/c(=C/c3cccc(OC)c3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccc(OC)c1 1516849 RDRDSANEZQUMDJ-FHTAPLDASA-N 475.526 1.528 50 40 JDGB COC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1 58873184 DOJXZYIFNKLNRJ-QFEZKATASA-N 457.483 1.455 50 40 JDGB CCOC(=O)C1=C2OC(N)=C(C#N)C(C#N)=C2C(=O)[C@@H](C(=O)OCC)[C@H]1c1ccc(OC)cc1 2258294 JQNDTCFOMPKYKP-AEFFLSMTSA-N 463.446 1.902 50 40 JDGB O=C(NNS(=O)(=O)c1ccc(F)c(Cl)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3396623 LAXKTDVSQPUPFW-UHFFFAOYSA-N 477.923 1.123 50 40 JDGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 18071876 CUXKPCRIYTWLLT-OAHLLOKOSA-N 493.538 1.092 50 40 JDGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408650827 ACDXVOYNUKIZQP-CJBAZIHXSA-N 473.913 1.476 50 40 JDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1O 2591396 OLAYWOBOPBDDNO-GZIVZEMBSA-N 464.398 1.106 50 40 JDGB CCCn1nc(C(=O)NNC(=O)c2cc(S(=O)(=O)NC)ccc2C)c2ccccc2c1=O 40024624 IPOKCRVIPXFQML-UHFFFAOYSA-N 457.512 1.098 50 40 JDGB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 102649931 YZZXCVUNZBWKGI-XOZNZTJLSA-N 466.284 1.916 50 40 JDGB CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(C(=O)OC)cc3)nnn2-c2nonc2N)cc1 2193626 MBNGOVCUWKDGAM-WYMPLXKRSA-N 476.453 1.849 50 40 JDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)cc(OC)c1OC 2386798 MWUNFZGJMCXGAU-BHGWPJFGSA-N 478.469 1.998 50 40 JDGB CCn1nc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2c1=O 12793567 OHTFTXZHUFEWAT-UHFFFAOYSA-N 469.523 1.276 50 40 JDGB COc1cc(/C=N\NC(=O)C(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 31687637 KHKVIOPHWRXVLP-CBSQCECLSA-N 474.470 1.339 50 40 JDGB C/C(N)=C(/C#N)C(=O)COC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 102957067 VRWVTPMGSHWLCK-JQIJEIRASA-N 451.501 1.165 50 40 JDGB COc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(=O)C(C)C)cc3)C2=O)cc1 408531022 GHXMLKPQHIPYQL-SZMVHAFZSA-N 465.466 1.905 50 40 JDGB CCCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)[C@@H](C(=O)OC)C(=O)N1 409321524 GVEQWBJTCVVRHS-ZWKOTPCHSA-N 459.524 1.860 50 40 JDGB COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccs1)C=2C(=O)Nc1ccc(OC)cc1 3764684 RRAGSKZXPTWQCU-CFINBHSISA-N 494.554 1.171 50 40 JDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1OC 16186881 RAXZLWSZCRPADL-RGVLZGJSSA-N 466.472 1.391 50 40 JDGB COc1cccc(/C=N/NC(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1 36006858 RHUPTFGCSCKHFY-HYARGMPZSA-N 495.399 1.914 50 40 JDGB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)NNC(=O)c1ccccc1 408661327 MKYUGFORVSLZBH-OAQYLSRUSA-N 471.469 1.898 50 40 JDGB CCOc1ccc(C(=O)NNC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 12578612 QKGKLJWUNQPTNL-UHFFFAOYSA-N 467.309 1.699 50 40 JDGB CCC(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)cc1 408534072 LBHHSJBPIZMNBY-UXHMZNKVSA-N 451.439 1.659 50 40 JDGB COC(=O)C1=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@H](c2ccc(F)cc2)C(C#N)=C1N 20459021 XCTFBNJNEQYOJN-OTJDAXFFSA-N 451.454 1.680 50 40 JDGB COCCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)[C@@H](C(=O)OC)C(=O)N1 409324470 SYAJDJWZAGVYAK-ZWKOTPCHSA-N 475.523 1.097 50 40 JDGB N#CC1=C(N)n2c(s/c(=C/c3ccc([N+](=O)[O-])cc3)c2=O)=C(C#N)[C@H]1c1ccc([N+](=O)[O-])cc1 3169400 PDJPRLYVVSNLDI-XSORJCKLSA-N 472.442 1.678 50 40 JDGB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)NNC(=O)Cc1c[nH]c2ccccc12 8848706 IKANHZRHSYJHOZ-UHFFFAOYSA-N 476.320 1.711 50 40 JDGB O=C(NNC(=O)c1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)NCc2ccccc2)c1 9883834 ZOXGYPQPJFVVCK-UHFFFAOYSA-N 453.476 1.969 50 40 JDGB CSCC[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 15948159 UXMHXLFPFXCUKQ-KRWDZBQOSA-N 494.595 1.377 50 40 JDGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cc([N+](=O)[O-])c(O)cc2O)c(=O)c1C#N 59639798 ZDQQKCQMIIOHPV-AERZKKPOSA-N 494.258 1.407 50 40 JDGB O=C(CNC(=O)c1cccnc1)N/N=C1\C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 100431714 FRSIMWHUOSWMIH-SLMZUGIISA-N 457.446 1.607 50 40 JDGB Cc1cc(NC(=O)CN2C(=O)[C@@H]3[C@@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)no1 2605924 VSVRKMIEBXLUGO-HEGPYEPMSA-N 461.110 1.699 50 40 JDGB CS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 2645734 YRWVFWLABAXEAT-UHFFFAOYSA-N 455.832 1.270 50 40 JDGB CCOC(=O)C1=C2SC(C(=O)OC)=CC(=O)N2C(N)=C(C#N)[C@H]1c1ccc(OC)cc1OC 3771932 OUKGKVUHNXCODF-QGZVFWFLSA-N 471.491 1.902 50 40 JDGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)NCCOC)o2)cc1 6599856 PEQXCWNKLGUSNT-VBKFSLOCSA-N 468.466 1.381 50 40 JDGB O=C1N=C(O)N(c2ccc(I)cc2)C(=O)/C1=C\NNC(=O)c1ccccc1 17159469 JRKCOMZJEQBPER-UVTDQMKNSA-N 476.230 1.897 50 40 JDGB COc1ccc(/C(C)=N\OCC(=O)N/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1OC 100302435 PPRDPZUGZQQLPS-XAPKKLCXSA-N 495.536 1.601 50 40 JDGB NNC(=O)N/N=C1\C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C(=O)[C@H]1c1nc2ccccc2o1 104278170 ONBAUDJTSFOGPV-QJJZFVNASA-N 475.248 1.890 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)N1CCCC1 409265910 UYYYDUUUAZNCGK-CVKSISIWSA-N 452.511 1.771 50 40 JDGB COc1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1S(=O)(=O)N1CCCCCC1 12804362 SFZGGCLBBAQTGB-QGZVFWFLSA-N 473.617 1.366 50 40 JDGB COc1ccc(/C=N\NC(=O)COCC(=O)N/N=C\c2ccc(OC)c(OC)c2)cc1OC 31723771 SBGHMCCNNNCIBD-CBSQCECLSA-N 458.471 1.338 50 40 JDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 20213264 UMCOVZQMVVJVKK-SSDVNMTOSA-N 483.930 1.817 50 40 JDGB C/C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)=C1/C(=O)NC(=O)SC1=O 36621369 OTTPLRRFJVOQCZ-GXDHUFHOSA-N 486.959 1.145 50 40 JDGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(I)c1O)c1ncccc1[N+](=O)[O-] 14135316 OUXGLMFQTVMVFB-OMCISZLKSA-N 457.140 1.972 50 40 JDGB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1)NNC(=O)c1ccccc1 408655198 LKTFDQZOZMFQPU-ZDUSSCGKSA-N 493.303 1.491 50 40 JDGB Cc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(C)(=O)=O)cc1C 409185415 YSNKNSHYCUJBEQ-OEAKJJBVSA-N 489.554 1.965 50 40 JDGB COc1ccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1S(=O)(=O)N1CCCC1 9253367 RNTSXCMEDJFDRT-UHFFFAOYSA-N 493.538 1.580 50 40 JDGB O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1O)c1ccccc1 9973761 APLKZXVYGUMIPY-UXHICEINSA-N 492.440 1.689 50 40 JDGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](C(=O)O)[C@@H](C)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70697581 LBTSRSJNTNGWCF-CNMVBWNGSA-N 485.530 1.468 50 40 JDGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c(N3CCC(C)CC3)nc12 8691700 WISICRYVALTLSE-WQJNHMDYSA-N 469.567 1.450 50 40 JDGB CN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C(=O)c1ccccc1 28279916 XJOYZWJYLVFHNQ-UHFFFAOYSA-N 480.546 1.698 50 40 JDGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3C[C@H](O)C[C@@H]3C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 100770987 ICVRXJQFTIXGAJ-HNXARSBDSA-N 497.541 1.564 50 40 JDGB C=CCNC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408880605 KENWKNYEHBQFTA-VROXFSQNSA-N 466.281 1.594 50 40 JDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)c(C)c2)c(OC)c1 409163049 LDSQGUSYUPJESO-AUEPDCJTSA-N 477.315 1.980 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CSc2ccc3c(c2)OCCO3)cc1 9442245 NNHFWCOFLUITCY-UHFFFAOYSA-N 465.553 1.326 50 40 JDGB CCn1c(NNC(=O)[C@@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)nc2ccccc2c1=O 11162289 MYFAHSUFDHLGOI-OAHLLOKOSA-N 480.550 1.721 50 40 JDGB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)NNC(=S)NC2CC2)ccc1OC 2650331 DZDSHHKWLWOTMJ-UHFFFAOYSA-N 495.539 1.684 50 40 JDGB COc1cccc(-c2c(C(=O)N/N=C(\C)c3cccc(-n4cnnn4)c3)nnn2-c2nonc2N)c1 9308339 PLFLFXWUOWDZRL-WYMPLXKRSA-N 486.456 1.038 50 40 JDGB Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)n1 13148542 IAJAMHSOBHYOBE-GASCZTMLSA-N 483.978 1.412 50 40 JDGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1ccc(O)cc1O 13583747 QFDJOGJVVHQKAS-MTJSOVHGSA-N 497.371 1.317 50 40 JDGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1 58873944 NMLBECCZKGKDGY-JFLMPSFJSA-N 461.478 1.874 50 40 JDGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](CC(=O)O)C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70706764 QKRDRBZKADKVFA-MQZYIPKXSA-N 499.513 1.562 50 40 JDGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)c1 408782542 JYSRWJUNKIPGKM-CIAFOILYSA-N 451.501 1.637 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1 409158826 PFWGJMFPFBWKKJ-BHGWPJFGSA-N 450.854 1.709 50 40 JDGB Cn1cnnc1Sc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1[N+](=O)[O-] 9633882 HDCUOJYDLAAWDT-UHFFFAOYSA-N 456.440 1.493 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)CC2)c(C)c1 12778846 QKDNJJPIHUGOTH-SFHVURJKSA-N 457.618 1.196 50 40 JDGB CC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 12934976 YIOBSMBSTYJWML-OAQYLSRUSA-N 479.537 1.958 50 40 JDGB COc1cc(S(=O)(=O)NNC(=O)[C@H](C)Oc2ccc3c(C)cc(=O)oc3c2)ccc1NC(C)=O 13072158 QPQFBMAXGIBVMB-ZDUSSCGKSA-N 489.506 1.845 50 40 JDGB CCc1cccc(N2C[C@H](C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)CC2=O)c1 24835681 PRMWLVAPVZLMIL-QGZVFWFLSA-N 458.540 1.313 50 40 JDGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3cccc(OC)c3O)CC2)cc1OC 408972695 UYVGDTRLSCSWEM-OEAKJJBVSA-N 477.539 1.969 50 40 JDGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c(N3C[C@H](C)O[C@H](C)C3)nc12 13659642 LHOKHXFDQNQIHG-XDZWWVBOSA-N 451.527 1.819 50 40 JDGB CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)CC1 26841960 XWDRUCBKYJIGRS-BSKAQADGSA-N 450.543 1.347 50 40 JDGB COc1cccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c1OCC(=O)NCc1ccccc1 408615090 LRMGLYVWRFQOHT-LQKURTRISA-N 484.553 1.772 50 40 JDGB Cn1cc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc21 8728777 DQXMBCXWDLCPRT-UHFFFAOYSA-N 462.553 1.586 50 40 JDGB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NNC(=O)[C@H]1COc2ccccc2O1 12680253 CJSVISXTUSGTQS-OAHLLOKOSA-N 454.508 1.783 50 40 JDGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 39948758 XIAKOUPYHNKVHK-JEHRSMSHSA-N 468.478 1.669 50 40 JDGB C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 58873685 OEFKKRPSJJMTGC-BVTBEYEISA-N 452.511 1.688 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCC(=O)Nc1ccccc1Cl 409162837 IMYZKCDRBCHWMB-DHRITJCHSA-N 476.917 1.969 50 40 JDGB CC(=O)N[C@H]1[C@@H](OCCCCCCCl)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 9592231 YMILTQQBIHTPST-UTBUEMAESA-N 465.927 1.458 50 40 JDGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)c1 9630992 UCYFHKXHIOBJEX-UHFFFAOYSA-N 488.566 1.954 50 40 JDGB C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 9912482 BGXWWLAIHLYLNN-AWEZNQCLSA-N 462.553 1.635 50 40 JDGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccccc3)c(N3CCC(C(N)=O)CC3)nc12 9292302 REBZMDIRLUDKHU-XSFVSMFZSA-N 470.533 1.928 50 40 JDGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)OC)cc1)S(C)(=O)=O 20210391 MRDLKSFQWRSKEA-LPYMAVHISA-N 463.512 1.553 50 40 JDGB Cc1nn(Cc2ccc(C(=O)NNC(=S)NCCCN3CCOCC3)cc2)c(C)c1[N+](=O)[O-] 22711797 XAVCMBNVBCAQEL-UHFFFAOYSA-N 475.575 1.288 50 40 JDGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccc(OC)cc1 408612192 XWJRVYQCKZKZLN-AFUMVMLFSA-N 472.498 1.324 50 40 JDGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)c1 408770672 ADZOJMBYKVMFNY-DEDYPNTBSA-N 450.473 1.918 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 17191233 NNIVDEMFKSHFRB-LJQANCHMSA-N 483.550 1.246 50 40 JDGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccccc1OCC(N)=O 408973874 WCJIJRFOCIKWLR-KXQYEYADSA-N 454.527 1.919 50 40 JDGB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 9283984 GNRUWLPDMJFMGY-LPYMAVHISA-N 490.494 1.427 50 40 JDGB O=C(NCc1ccco1)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408810581 MIPKZNCUBAXBAT-ROTLSHHCSA-N 471.857 1.547 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC(=O)N1CCOCC1 409175531 SFEQQTRNEYORTI-DHRITJCHSA-N 488.928 1.983 50 40 JDGB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 9519985 CTPYBLPQAPRFAG-UHFFFAOYSA-N 489.319 1.691 50 40 JDGB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 12586319 HNZRYKQRSFEYLX-UHFFFAOYSA-N 487.494 1.021 50 40 JDGB COc1ccc(OC)c(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 16186822 ZIKQZZVSMCPHRO-CIAFOILYSA-N 451.501 1.492 50 40 JDGB CCOC(=O)C1=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@H](c2cccc(OC)c2)C(C#N)=C1N 20459016 XIOYPXNOHRGJJG-GAISBVLPSA-N 489.553 1.809 50 40 JDGB CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)CN2CCOCC2)cc1OC 33335355 WAHURISFGLKXAI-JMIUGGIZSA-N 458.309 1.182 50 40 JDGB Cc1ccc(S(=O)(=O)CCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 9445081 ITZQXGKEQHTWOV-UHFFFAOYSA-N 458.584 1.519 50 40 JDGB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NNC(=O)c3ccccc3)c2)C[C@@H](C)O1 20817144 UWDQKNWWWUAOML-IYBDPMFKSA-N 475.523 1.103 50 40 JDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NCc3ccccc3)o2)cc1C 408806727 BNYDJKBCIQKEIY-MBTHVWNTSA-N 475.505 1.918 50 40 JDGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 409253628 UURVLSHVDGCXSG-PCLIKHOPSA-N 466.494 1.578 50 40 JDGB COCCn1c(SCC(=O)NNC(=O)c2cccc(O)c2)nc2sc3c(c2c1=O)CCC3 6905237 YIDFWBUNVADLKO-UHFFFAOYSA-N 474.564 1.852 50 40 JDGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 20211088 RVXOJRUFFDOICK-HYARGMPZSA-N 463.512 1.781 50 40 JDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)c(OC)c1 1875532 UQWLZVJFWXWKDI-LSHDLFTRSA-N 479.413 1.589 50 40 JDGB COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccc(F)c1)C=2C(=O)Nc1ccc(C)cc1 8756102 VFPSUOZMWBZXBA-ZMUHTPIZSA-N 490.516 1.549 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 9360919 KATFIFDXFAXNSF-LSHDLFTRSA-N 477.397 1.690 50 40 JDGB O=C(N/N=C/c1cnn(-c2ccccc2)c1)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 9634239 XTRGPMNCVYAZBY-BROWTRMISA-N 473.942 1.800 50 40 JDGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1ccccc1O 19850503 QGJUFXJDIFEJMG-BKUYFWCQSA-N 481.372 1.611 50 40 JDGB CN(CC(=O)NNC(=O)COc1cccc(Br)c1)S(=O)(=O)c1cccs1 39969219 HZBAUMDGJZTLCP-UHFFFAOYSA-N 462.347 1.358 50 40 JDGB C/C(=C/CO)CCC1=C(C=O)C[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@](C)(CO)CCC[C@]12C 105508098 IQHRODLFQNPIDT-PNNYWPRBSA-N 468.587 1.234 50 40 JDGB biogenic,in-vitro COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(OC)c1 409151123 AEAGYMUQVPZRTI-DHRITJCHSA-N 476.917 1.969 50 40 JDGB CCn1c(NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)nc2ccccc2c1=O 11375067 OWECSLAPHQMYLG-SFHVURJKSA-N 499.549 1.484 50 40 JDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c1 408879725 CTCKWOLIUXMCPY-MFKUBSTISA-N 482.518 1.979 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCC(=O)N1CCCC1 409153530 LPSZDDQQCHOTCM-WPWMEQJKSA-N 466.538 1.896 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)N1CCOCC1 409254615 XWFNMMXSVWOORV-MFKUBSTISA-N 484.509 1.420 50 40 JDGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 3409697 MSIKLLGHHLIWDU-UHFFFAOYSA-N 471.894 1.583 50 40 JDGB O=C(NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2)c1cc2c(s1)CCC2 10891396 QSBOQOCHKFGFLO-HNNXBMFYSA-N 477.564 1.622 50 40 JDGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1 20207688 HSMAKTRXCFVTDK-BUVRLJJBSA-N 488.566 1.149 50 40 JDGB O=C(Cn1c(S)nnc1-c1ccc(Cl)cc1)NNC(=O)c1csc(N2CCOCC2)n1 21967630 WJDVUODUDRRHKF-UHFFFAOYSA-N 479.975 1.642 50 40 JDGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408666822 STHBPNQLVZEILJ-YKSRAPIUSA-N 492.326 1.173 50 40 JDGB CCN(CC)S(=O)(=O)c1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)ccc1Cl 9050962 CUVWQMLJXLJEOU-AWEZNQCLSA-N 451.998 1.476 50 40 JDGB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H](C)Oc3ccccc3F)c2)C[C@@H](C)O1 13011933 QKOBKWGCGQOBGA-XHSDSOJGSA-N 479.530 1.852 50 40 JDGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)cccc2OC)cc1 408609856 LUEUIXFVPCXKTC-RXJBCPCZSA-N 498.536 1.857 50 40 JDGB NC(=O)COc1ccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1 408986722 DEASOCPMVVOTRY-SBKPSYLISA-N 464.482 1.262 50 40 JDGB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NNC(=O)c3ccccc3)c2)C[C@H](C)O1 20817151 UWDQKNWWWUAOML-HOTGVXAUSA-N 475.523 1.103 50 40 JDGB O=C(CCC(=O)NNC(=O)COc1ccc(Cl)cc1)NNC(=O)COc1ccc(Cl)cc1 100007215 UFBQMUWKYJTZSQ-UHFFFAOYSA-N 483.308 1.526 50 40 JDGB Cn1c(CC(=O)NNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nc2ccccc21 12547653 ZJPPFAHWWKWLIS-HNNXBMFYSA-N 473.530 1.503 50 40 JDGB COc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3nc[nH]n3)s2)cc1Br 16226627 KTMGDAFLZGMVPO-NGYBGAFCSA-N 465.293 1.372 50 40 JDGB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NNC(=O)CCN2CCOCC2)cc1 19913023 QZTCGRBGYXNTPN-FXBPSFAMSA-N 452.511 1.336 50 40 JDGB O=C1[C@H]2[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H]2C(=O)N1N[C@H]1CC[C@@H]([N+](=O)[O-])C[C@@H]1[N+](=O)[O-] 104159885 XSAMGEPLRIMHQZ-PRCGHOILSA-N 478.116 1.379 50 40 JDGB COc1ccc(Cl)cc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(C)(=O)=O 409342295 DDGVEHUQNQCMSM-RELWKKBWSA-N 450.904 1.612 50 40 JDGB C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NNC(=O)c4cccc(O)c4)cn1c23 3426255 WCPNHILQQFJUOR-AWEZNQCLSA-N 495.511 1.626 50 40 JDGB COc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl 408684622 PKCHOLHYLOUJRN-SQXHVFGTSA-N 455.294 1.643 50 40 JDGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccccn2)c(OC)c1 16682496 JFSIKMSTALGYKI-AXDLBROPSA-N 467.482 1.810 50 40 JDGB COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc1 408685697 QZZUGTNBTNBRIV-PWTXATHPSA-N 455.294 1.643 50 40 JDGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCC3)c(OC)c2)cc1 409263323 BQFCDKXSMRHCHZ-ZVHZXABRSA-N 454.483 1.794 50 40 JDGB N#C/C(=C\c1c(N2CCCCCC2)nc2ccccn2c1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 2201410 VCCPJYKYKXGGMX-HJUDDPQBSA-N 455.540 1.285 50 40 JDGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2)NCc1ccccc1 9233067 YCLSPHQCNXORKZ-WKULSOCRSA-N 488.500 1.877 50 40 JDGB CCc1ccccc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)S(C)(=O)=O 20208977 PXQGNOZQNUGGJT-HZHRSRAPSA-N 489.554 1.910 50 40 JDGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccc(OCC)cc1 408613265 YNYAHEFLYMEZES-AFUMVMLFSA-N 454.483 1.864 50 40 JDGB COC(=O)c1ccc(C(=O)OC)c(N/C=C2\C(=O)N(CCCN3CCCC3=O)C(=O)C(C#N)=C2C)c1 9422139 JFPUTBFQSAMGFD-RGEXLXHISA-N 494.504 1.777 50 40 JDGB Cn1c(CCC(=O)NNC(=O)c2ccco2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 15513167 TVKHZUFKFAELER-UHFFFAOYSA-N 459.528 1.735 50 40 JDGB CC(=O)c1cccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)c1 408658162 IBWMZWJVKPQVRT-VTAJJLHNSA-N 467.305 1.837 50 40 JDGB COc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCC(N)=O 408865544 BCRIBFFKVBRVDT-KZKMUKRCSA-N 494.957 1.516 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC)ccc1OCC(=O)Nc1ccc(OC)cc1 409164897 PHYRDUOEGNLIIM-CVKSISIWSA-N 486.525 1.714 50 40 JDGB COc1cccc(N2C[C@H](C(=O)NNC(=O)c3sc(N4CCOCC4)nc3C)CC2=O)c1 12975227 KEQJFHVARFGCIE-CQSZACIVSA-N 459.528 1.111 50 40 JDGB CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)CC1 13658432 XWDRUCBKYJIGRS-YWXUCKCNSA-N 450.543 1.347 50 40 JDGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)n1 14279848 SJZOXBYKAGKQBW-UHFFFAOYSA-N 477.612 1.818 50 40 JDGB CN1C(=O)/C(=N/NC(=O)CCCCCC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccccc21 18158999 WJNJEIHZKQTDSG-UFSUQUSASA-N 474.521 1.931 50 40 JDGB C[C@H]1CCCCN1Cc1c(C(=O)N/N=C\c2cc3c(cc2[N+](=O)[O-])OCO3)nnn1-c1nonc1N 39948792 FABADPANNBPKOC-AAPPNDKHSA-N 498.460 1.008 50 40 JDGB CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCCOC)c2)cc1 409152714 JWEOZTVUVVZERG-MFKUBSTISA-N 456.499 1.706 50 40 JDGB Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1 2753890 XPJYZQWKJFAXRD-UFWORHAWSA-N 454.302 1.915 50 40 JDGB COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 9670782 PHWWUGJQISPMDO-UHFFFAOYSA-N 476.841 1.963 50 40 JDGB COc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)C3=CCNC=C3)C(=O)C3=C2CC=CC3)cc1 101181505 JQGSAIHCIPMRBO-OOAXWGSJSA-N 466.519 1.602 50 40 JDGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1ccccc1O 408531267 GPFGPHPFXKGBKO-QOJWJBQSSA-N 492.229 1.612 50 40 JDGB O=C(NCc1cccnc1)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408772532 MOFRTCGLZRSPNF-MSXFZWOLSA-N 475.914 1.573 50 40 JDGB COc1cc(/C=N\NC(=O)CC(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 35153571 URGQQYNKTFIRBE-CPGLPWGESA-N 488.497 1.729 50 40 JDGB Cc1noc(C)c1S(=O)(=O)N1CCCN(CC(=O)C(C#N)=C2Nc3ccccc3N2)CC1 35421705 NHYFSRWYHHURBU-UHFFFAOYSA-N 456.528 1.830 50 40 JDGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1OC 408876922 RSJQTMAKZSRWEK-HYARGMPZSA-N 463.512 1.781 50 40 JDGB COc1cccc(-c2c(C(=O)N/N=C/c3cccc(OC)c3O)nnn2-c2nonc2N)c1 1876540 ZGISTAPXUGXCSJ-LSHDLFTRSA-N 450.415 1.386 50 40 JDGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)c1OC 13804938 UABSJQRCLXKOQJ-WYMPLXKRSA-N 483.533 1.778 50 40 JDGB COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)c1 408664509 QPWZNMFAEQTLSE-CQSZACIVSA-N 475.885 1.715 50 40 JDGB C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)ccc2Cl)C[C@@H](C)O1 12778817 SNDNBDIGPDPRMA-IIAWOOMASA-N 494.035 1.244 50 40 JDGB COc1cc(C(=O)NNC(=O)CN2CCCN(Cc3ccc(C)cc3)CC2)cc(OC)c1OC 22995355 KARGLVYVBLFNFR-UHFFFAOYSA-N 470.570 1.990 50 40 JDGB COc1cccc(-c2c(C(=O)N/N=C/c3c(OC)cc(OC)cc3OC)nnn2-c2nonc2N)c1 9479250 SDKDCUXDGCKTSR-BHGWPJFGSA-N 494.468 1.698 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1CN1CCc2ccccc2C1 19818340 UIYPFWJSQWZIAI-BHGWPJFGSA-N 488.468 1.463 50 40 JDGB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)cc2C1=O 9700676 XIDGFJHOLQKTDV-UHFFFAOYSA-N 473.869 1.591 50 40 JDGB Cn1c(=O)c2ccc(C(=O)NNC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)nc2n(C)c1=O 13016161 SQGOIAKYTBQBAR-UHFFFAOYSA-N 493.907 1.939 50 40 JDGB COc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)ccc1O 16186846 GPXXNQJDSUQPNQ-VXLYETTFSA-N 456.318 1.934 50 40 JDGB O=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NNC(=O)c1ccccc1F 21161900 AYMIACUWUZAVNA-UHFFFAOYSA-N 452.782 1.122 50 40 JDGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](CO)C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 72332896 FUBBKKUQLPZKIW-XNPZSQLUSA-N 471.503 1.080 50 40 JDGB COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)c1 12539963 JZKKQMUMIMSPRJ-UHFFFAOYSA-N 463.512 1.572 50 40 JDGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(OC)c(OC)c2OC)c1 16187296 WYCUEDPJKQDBCM-UUYOSTAYSA-N 481.527 1.500 50 40 JDGB COC(=O)[C@@H](/C(=N/NC(N)=O)C(=O)Nc1ccc(C)cc1)c1nc2ccc([N+](=O)[O-])cc2nc1O 17859320 NPRPPINXHPFRTJ-IIEXJENKSA-N 481.425 1.472 50 40 JDGB CC(C)=NNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 19953480 BWOLTXXRBCOAAW-LJQANCHMSA-N 464.569 1.262 50 40 JDGB COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 409265705 OBLCOVGTRQWPSY-KTCKORJGSA-N 454.483 1.458 50 40 JDGB O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 12984965 KHJJYUHQHSYFCF-NRFANRHFSA-N 451.504 1.930 50 40 JDGB CCOc1cc(C(=O)NNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc(OCC)c1OCC 23015378 DDMWPHPMMMPXFM-UHFFFAOYSA-N 479.511 1.951 50 40 JDGB COC(=O)c1cc(OC)c(OC)cc1N/C=C1/C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 102675980 CHKIKPGPKUTIGG-RKPNYOAGSA-N 489.506 1.182 50 40 JDGB O=C(NCCc1ccccc1)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 408773198 PXBUQWIZOJBSHB-IWIPYMOSSA-N 454.508 1.567 50 40 JDGB N#CC1=C(S)N([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C(c2ccccc2)=C[C@H]1c1ccccc1 5536920 LVMVPMRIRRYZFF-BJTSAGRKSA-N 452.532 1.592 50 40 JDGB CCn1nc(C(=O)NNC(=O)[C@H](NC(=O)c2ccc(OC)cc2)C(C)C)c2ccccc2c1=O 32992649 XJEFNPHVNBKUDI-LJQANCHMSA-N 465.510 1.641 50 40 JDGB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CS[C@@H]1CCCCO1)C(=O)NN 6075227 JGYLWJRNTLNAQJ-FGTMMUONSA-N 466.604 1.857 50 40 JDGB CCCn1nc(C(=O)NNC(=O)CSCC(=O)Nc2cc(C)on2)c2ccccc2c1=O 12871065 OOENNVFDQAHXKO-UHFFFAOYSA-N 458.500 1.236 50 40 JDGB C1CN2CCO[Si](CCSSCC[Si]34OCCN(CCO3)CCO4)(O1)OCC2 196465385 AUNMGRXVIZVRMV-UHFFFAOYSA-N 468.746 1.004 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 9478941 FGGHUNKEGQKMPB-FOKLQQMPSA-N 458.398 1.833 50 40 JDGB N#Cc1ccccc1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9664908 XUJMTFRNRKJELP-UHFFFAOYSA-N 454.464 1.470 50 40 JDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)c1 20212279 OPMGYEMMBKKDOM-WSDLNYQXSA-N 463.512 1.472 50 40 JDGB CS(=O)(=O)O[C@H]1C[C@@H]2C3C1[C@H](OS(C)(=O)=O)C[C@@H]3[C@H](Br)[C@@H]2Br 104285577 XMTIICQEBOGUML-QQRWEPFWSA-N 482.212 1.489 50 40 JDGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 58881649 RZKRDNHMLZDHSN-ODDBZWQPSA-N 468.510 1.848 50 40 JDGB O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1ccncc1 2639775 GKBBSBPHGVQXJF-UHFFFAOYSA-N 456.446 1.962 50 40 JDGB C/C(CCc1ccccc1)=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C 9308237 LKYYAQAFPQXFIN-WSDLNYQXSA-N 467.519 1.392 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(O)cc2)c(OC)c1 408923709 KQARVVCQEMIHLQ-RTMRUCDXSA-N 468.466 1.731 50 40 JDGB O=C(CN1C(=O)/C(=N\NC(=O)C(=O)Nc2cccc(C(=O)O)c2)c2ccccc21)Nc1ccccc1 1952665 TWAMAPWVLWQPEI-HFTWOUSFSA-N 485.456 1.829 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)COc2cccc3c2OC(C)(C)C3)cc1 9509490 DXVLNTPMDUNXRO-UHFFFAOYSA-N 461.540 1.555 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)c1ccc(Br)cc1 16248254 MKWLEMJFEDQEDB-UHFFFAOYSA-N 451.302 1.688 50 40 JDGB CCn1nc(C(=O)NNC(=O)[C@@H](NC(=O)c2ccc(OC)cc2)C(C)C)c2ccccc2c1=O 28580378 XJEFNPHVNBKUDI-IBGZPJMESA-N 465.510 1.641 50 40 JDGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)NNC(=O)c1ccccc1 408671437 YCNASVGECGUOBU-ZCLUNYJNSA-N 461.474 1.840 50 40 JDGB O=C(COC(=O)CCS(=O)(=O)c1ccccc1)NNC(=O)c1ccc(Br)cc1 8638789 JCMTVNKSPWFNJP-UHFFFAOYSA-N 469.313 1.617 50 40 JDGB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C1\C(=O)Nc2ccc(Br)cc21 13777682 KVHHXJIVJQOXIO-HNNXBMFYSA-N 459.256 1.178 50 40 JDGB O=C(O)CC[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 101052486 NRXFVCDLBRGEDJ-AUULFEQBSA-N 453.083 1.082 50 40 JDGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)c(OC)c1 408783131 LEGBDEBCIVBFFS-DEDYPNTBSA-N 450.473 1.918 50 40 JDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc(OC)c1OC 13804572 SGNIYUAXWWJKLL-ZVBGSRNCSA-N 470.471 1.751 50 40 JDGB CCOc1cc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)ccc1O 39948773 SHRPWJDILYDFMX-ICXMQADFSA-N 469.506 1.475 50 40 JDGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccccn1 1529548291 ZVTQUWODQJJAGF-BLTFUYFMSA-N 453.524 1.967 50 40 JDGB COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccc(F)c1)C=2C(=O)Nc1ccc(C)cc1 8756098 VFPSUOZMWBZXBA-OLROSQPISA-N 490.516 1.549 50 40 JDGB Nc1nonc1N1N=N[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc([N+](=O)[O-])c1 95481747 HNECDJKNFJTEGW-GJZGRUSLSA-N 481.385 1.047 50 40 JDGB CN(Cc1c(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])nnn1-c1nonc1N)C1CCCCC1 1890583 AEDMPMVIILVVHI-SSDVNMTOSA-N 468.478 1.669 50 40 JDGB O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)c1ccccn1 17328533 YTDUCSCREPPPML-UHFFFAOYSA-N 450.826 1.883 50 40 JDGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1 408754090 IJSWWJVJZUSVJZ-FINLKQIMSA-N 460.556 1.702 50 40 JDGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)c1 409154684 POKZZHGWXPCZAT-ZVHZXABRSA-N 470.482 1.030 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccc(F)cc1 409271272 UAHGUANMLUIVIG-LZKBWWOWSA-N 486.500 1.987 50 40 JDGB C[C@@H]1CCCCN1Cc1c(C(=O)N/N=C\c2cc(Cl)ccc2O)nnn1-c1nonc1N 25782447 DIHYUXGISLJIKT-UBENZQOVSA-N 459.898 1.730 50 40 JDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NCCc3ccccc3)o2)cc1 408800845 PUXQWZQYCFQFBL-NTFVMDSBSA-N 475.505 1.652 50 40 JDGB CCOc1ccc(-c2c(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])nnn2-c2nonc2N)cc1 1884237 YWLLDUXSPMDNSF-SSDVNMTOSA-N 463.414 1.970 50 40 JDGB Cc1ccccc1-n1nnnc1SCC(=O)NNC(=O)c1ccc(NC(=O)CC#N)cc1 9283879 VYWITFITMUKJIC-UHFFFAOYSA-N 450.484 1.376 50 40 JDGB Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)n1 9585863 IAJAMHSOBHYOBE-HUUCEWRRSA-N 483.978 1.412 50 40 JDGB Cn1c(=O)c2ncn(CC(=O)N/N=C\c3ccc(-c4cccc(Br)c4)o3)c2n(C)c1=O 16363794 OFDQECGMQVEEJB-AQHIEDMUSA-N 485.298 1.607 50 40 JDGB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)CN1CCCc3ccccc31)n2C 17402687 CJNCLUAKMJCJIY-UHFFFAOYSA-N 498.609 1.356 50 40 JDGB COC(=O)N/N=C(/C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2ccc([N+](=O)[O-])cc2nc1O 104293608 JCWSWXIPRDXDFR-PXLXIMEGSA-N 455.343 1.851 50 40 JDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1C#N 408997311 MPEMXTVUSKLNMW-WYMPLXKRSA-N 468.470 1.682 50 40 JDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(Cn2cncn2)cc1 9423588 KRLIRDPWSAVRMK-CNQPKBAFSA-N 452.496 1.018 50 40 JDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 20211256 UMMCWSWOURPYHR-WSDLNYQXSA-N 479.511 1.172 50 40 JDGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 408669963 WMEVKEGFLLIMBU-IHXMYUSMSA-N 470.265 1.542 50 40 JDGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc1[N+](=O)[O-] 408682968 MADHHOICJKDESK-KSXHKMMQSA-N 484.292 1.851 50 40 JDGB COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1 408685695 QZZUGTNBTNBRIV-OOLZNYFQSA-N 455.294 1.643 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 409151118 ADZYTBOAKIVARF-LGJNPRDNSA-N 470.526 1.851 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccc(F)cc1 409264335 OWENZYNNFMCFEX-XIMCHAMWSA-N 472.473 1.597 50 40 JDGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)NCC(C)C)NC(=O)[C@@H]2C(=O)OC)cc1 409325850 BWOJIGQFGWGAFL-QZTJIDSGSA-N 459.524 1.716 50 40 JDGB COCCOC(=O)CCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 12137545 VIJUODJAIOXBHP-UHFFFAOYSA-N 452.533 1.277 50 40 JDGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)S(C)(=O)=O 20207493 JDCMSZRKEZJYOX-BUVRLJJBSA-N 488.566 1.149 50 40 JDGB CCOC(=O)C1=c2s/c(=C\c3ccccc3OC)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1OC 989254 DXLHDILGGZRHFL-DMMSUNFISA-N 489.553 1.918 50 40 JDGB CC1(C)O[C@@H]2O[C@@H](C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 8399529 WXWPSJSWPSNOHC-DXWTWGPWSA-N 491.324 1.916 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)cc1 9509038 KIKPKMHMQQSTTP-HXUWFJFHSA-N 478.546 1.357 50 40 JDGB Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 13109345 YOVGWGNBGGEDNZ-CQSZACIVSA-N 474.495 1.968 50 40 JDGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)cc2OC)cc1 409258559 XLCAZDARNVCMNU-RXJBCPCZSA-N 498.536 1.857 50 40 JDGB CCn1c(NNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)nc2ccccc2c1=O 14328364 COENSIHZKRHFKJ-IYBDPMFKSA-N 485.566 1.971 50 40 JDGB Cc1ccc(OCC(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1C 3382550 LRUZDTRYUMTQPL-UHFFFAOYSA-N 461.540 1.473 50 40 JDGB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 15427080 QSRLAFBOTMYMGE-SFHVURJKSA-N 467.507 1.752 50 40 JDGB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NNC(=O)c2ccc(OC)c(OC)c2)C(C)C)c1 28776327 RZSMIGLZFXPNSN-FQEVSTJZSA-N 459.499 1.937 50 40 JDGB COC(=O)c1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 35227373 FJXHAQUBFOQFFQ-NHDPSOOVSA-N 453.904 1.906 50 40 JDGB COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)c1 408875470 JAPKKTCPJXPPER-QFEZKATASA-N 463.450 1.632 50 40 JDGB CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)N1CCOCC1 409012259 PTKTXTGZXLRCJQ-UCQKPKSFSA-N 456.455 1.995 50 40 JDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 409158185 NVNWMZGTZSYJJK-VULFUBBASA-N 470.526 1.932 50 40 JDGB COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@H](c1ccncc1)C=2C(=O)Nc1ccc(C)c(C)c1 3764704 CHGOOLRPWCXHFD-OLROSQPISA-N 487.541 1.113 50 40 JDGB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)NNC(=O)c1ccc(Cl)cc1 9635091 HVMPWSRJBKTWAP-AWEZNQCLSA-N 473.869 1.469 50 40 JDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)cc1 105496874 CPMYAPPOEULCFM-RBAUTDOXSA-N 483.550 1.981 50 40 JDGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1OC 409257250 PLUMJLOCBDCJFI-FOKLQQMPSA-N 480.315 1.990 50 40 JDGB CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc(OCC(=O)O)cc3)nnn2-c2nonc2N)c1 1900789 NZJVFZPMSSSBLN-BHGWPJFGSA-N 492.452 1.526 50 40 JDGB Cc1ccccc1OCC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 12536466 JPEOMYBTCQBTRP-UHFFFAOYSA-N 460.556 1.686 50 40 JDGB COc1cccc(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(C)(=O)=O)c1 16228026 VUNCMOSCJCISBU-CIAFOILYSA-N 451.501 1.637 50 40 JDGB O=C(COc1ccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)cc1)NC[C@H]1CCCO1 58873231 ZJJKZOWCHMEPNY-LZUVTCDBSA-N 452.511 1.517 50 40 JDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(OC)c(OC)c2OC)cc1C 16282861 WVYUNJYNRFFWRP-UUYOSTAYSA-N 465.528 1.800 50 40 JDGB COc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 1221527 GGOHZQWGNFDPDV-UHFFFAOYSA-N 463.317 1.987 50 40 JDGB O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)NNC(=O)c1cccs1 2636618 NPBFLROVAYVKCX-UHFFFAOYSA-N 473.532 1.845 50 40 JDGB Cc1ccc(S(=O)(=O)OC[C@H]2OCO[C@@H]2[C@H]2OCO[C@H]2CI)cc1 5249492 TXLZNXHDIREUAS-XGUBFFRZSA-N 470.281 1.618 50 40 JDGB O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1)C(=O)NNC(=O)c1ccco1)c1ccccc1 9972830 GYTNZSVEEWDMOC-ROUUACIJSA-N 466.402 1.576 50 40 JDGB CCOc1ccc(N2C(=O)NC(=O)/C(=C\NC(=S)NNC(=O)c3ccccc3)C2=O)cc1 408526537 BKEQRRDMEIWIKD-FOWTUZBSSA-N 453.480 1.361 50 40 JDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)N3CCCCC3)o2)cc1C 408782340 HDLIWVXWIURVHQ-QFEZKATASA-N 453.499 1.614 50 40 JDGB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccccc2Br)c1 11564069 DPTZJWAJDCQFEN-UHFFFAOYSA-N 468.329 1.781 50 40 JDGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)CN2CCOCC2)cc1OC 15019883 WAHURISFGLKXAI-KEBDBYFISA-N 458.309 1.182 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)CCc3ccc4c(c3)OCO4)C2)cc1 24750320 LDKVEJKPDDFDSM-SFHVURJKSA-N 473.551 1.905 50 40 JDGB O=C(C[C@H]1[C@@]2([N+](=O)[O-])C=CC(=O)[C@@]1([N+](=O)[O-])CN(CCBr)C2)c1ccccc1 100129007 MTENKZVOGGZLEC-CGTJXYLNSA-N 452.261 1.756 50 40 JDGB O=C(NCc1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCCC1 409254942 GKGAIXXYTRQDEG-DHRITJCHSA-N 452.467 1.183 50 40 JDGB CN(Cc1c(C(=O)N/N=C/c2ccccc2OCC(=O)O)nnn1-c1nonc1N)c1ccccc1 9291904 RDCWHGAYFBAZOY-BHGWPJFGSA-N 491.468 1.096 50 40 JDGB CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)c2cncn2-c2ccccc2)c1 23144291 LQEGCIKQAFEOOM-UHFFFAOYSA-N 454.917 1.553 50 40 JDGB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)c1cc(-c3ccccc3)n[nH]1)n2C 9520300 IRZCRWPOGVVDMJ-UHFFFAOYSA-N 495.565 1.608 50 40 JDGB C[C@@H](C(=O)NNC(=O)C[C@@H]1CCS(=O)(=O)C1)n1c(-c2ccccc2)nc2ccccc2c1=O 9971140 ZRPYXFHXGMDGSM-HOTGVXAUSA-N 468.535 1.597 50 40 JDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@@H](NC(N)=O)c2ccc(C)cc2)c1 24979705 FWPPDCRMFYEIJO-LJQANCHMSA-N 475.571 1.586 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 28213023 IXHFSBXCLKGKMZ-PFRKPPGBSA-N 488.566 1.277 50 40 JDGB CC(C)CNC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 408771451 GYNKVFFKMPCUTE-FBHDLOMBSA-N 485.360 1.743 50 40 JDGB O=C(CN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 2623239 BPIQODOXYPTWHY-UHFFFAOYSA-N 484.515 1.606 50 40 JDGB COC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1 408653748 AMUBKLMRXUBLND-HPKFOSBRSA-N 483.304 1.421 50 40 JDGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1Cl 409155900 RRLIRUYDSVMENX-ZMOGYAJESA-N 458.902 1.975 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 9111278 CUECUZBFQAIAAW-YDZHTSKRSA-N 476.457 1.931 50 40 JDGB COc1ccc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1S(=O)(=O)N1CCCC1 12987867 NGIWMIOTUTUTDA-UHFFFAOYSA-N 461.540 1.937 50 40 JDGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 409269035 DDSHOLWQOMVFEZ-PCLIKHOPSA-N 468.510 1.802 50 40 JDGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccc([N+](=O)[O-])c2)ccc1OC 3095495 XQSKWCOUCAVNNV-FOKLQQMPSA-N 493.440 1.979 50 40 JDGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)N2CCOCC2)c(OC)c1 409264914 MUTVHWYOAYRRCQ-YSRRJJCPSA-N 499.362 1.060 50 40 JDGB CN1C(=O)/C(=N\NC(=O)CCCCCC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccccc21 100898997 WJNJEIHZKQTDSG-XWFWGDPBSA-N 474.521 1.931 50 40 JDGB O=C(O)[C@H](CSSC[C@@H](C(=O)O)N1C(=O)CSC1=S)[C@@H]1C(=O)CSC1=S 101175487 PZGFMVDBEHRHRC-QIOHGKGESA-N 471.650 1.642 50 40 JDGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)NNC(=O)c1ccccc1 408657657 HJPDCAQVRCYPSX-IDPBPBMLSA-N 459.458 1.616 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1O 409246964 AABTUJCJYHGTTF-YTTILGKYSA-N 461.256 1.141 50 40 JDGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1 12946104 HEWRCUVQAKHMRD-HNNXBMFYSA-N 474.514 1.713 50 40 JDGB CCCOc1c(I)cc(/C=N\NC(=O)CN2CCOCC2)cc1OC 28615369 OQOFSCMZTHVSIS-ODLFYWEKSA-N 461.300 1.871 50 40 JDGB Cc1ccc(S(=O)(=O)OC[C@@H]2OCO[C@@H]3[C@H](CI)OCO[C@H]23)cc1 5732500 GNAYGCDTBNSBNU-BYNSBNAKSA-N 470.281 1.618 50 40 JDGB COc1ccc(OC)c(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)c1 9478478 ZKZJOLMCUYZYSZ-WYMPLXKRSA-N 483.533 1.778 50 40 JDGB COc1ccc(CC(=O)NNC(=O)COc2cc(C)ccc2C)cc1S(=O)(=O)N1CCOCC1 12854418 WYLMLHDSNAJKTL-UHFFFAOYSA-N 491.566 1.102 50 40 JDGB COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccc(F)c1)C=2C(=O)Nc1cccc(C)c1 3769918 YNAGSKQVEGBLRU-OLROSQPISA-N 490.516 1.549 50 40 JDGB CCOC(=O)c1csc(NNC(=O)c2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)n1 8750967 AELYOGUWWCMQOB-UHFFFAOYSA-N 465.440 1.853 50 40 JDGB COc1ccc(C(=O)NNC(=O)[C@@H]2CCCN([C@@H]3CC(=O)N(c4ccccc4)C3=O)C2)cc1 96305605 IVXYLLSXHVYTAL-YLJYHZDGSA-N 450.495 1.500 50 40 JDGB O=C(CCCCC(=O)NNC(=O)c1ccccc1[N+](=O)[O-])NNC(=O)c1ccccc1[N+](=O)[O-] 100005060 UYSDTXYUKZUXNL-UHFFFAOYSA-N 472.414 1.286 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1-c1ccc2c(c1)OCO2 2444101 KQPAXVPWEBBAPI-ODCIPOBUSA-N 463.370 1.300 50 40 JDGB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 13132164 LITAEOUNFZIQPH-KRWDZBQOSA-N 469.523 1.001 50 40 JDGB Cc1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCCCC1 3395687 AUZSDIIIXPMKGP-LJQANCHMSA-N 459.524 1.771 50 40 JDGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 16545214 JGMRFWPCGIVEGA-QPSGOUHRSA-N 450.371 1.456 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(O)cc2)c(OC)c1 408923710 KQARVVCQEMIHLQ-ZGRCRBMVSA-N 468.466 1.731 50 40 JDGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(C)cc1 2385542 ZTBZPEYHIURARJ-BHGWPJFGSA-N 478.469 1.998 50 40 JDGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H](C)NC(=O)Cc1cccc2ccccc12 13117974 WQBZGSSPEFNALG-INIZCTEOSA-N 481.578 1.950 50 40 JDGB Cn1ccc(-c2nnc(SCC(=O)NNC(=S)NC3CCCCC3)n2C[C@@H]2CCCO2)n1 22715374 ONBSHOXUWUFPPY-HNNXBMFYSA-N 478.648 1.778 50 40 JDGB Cc1nnc(N2C(=O)c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)cc3C2=O)s1 408676932 ANZPOHYQDVFXDX-UHFFFAOYSA-N 499.892 1.919 50 40 JDGB CCN(CC)Cc1c(C(=O)N/N=C/c2ccc(N(CC)CC)cc2O)nnn1-c1nonc1N 3664080 KJWRKHCGIKMHJQ-FSJBWODESA-N 470.538 1.390 50 40 JDGB COC(=O)c1cc(OC)c(OC)cc1N/C=C1\C(=O)N(CCN2CCOCC2)C(=O)C(C#N)=C1C 8993201 QCVGTBHMVXHRGF-JXAWBTAJSA-N 484.509 1.327 50 40 JDGB CCOc1cc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)ccc1O 39948772 SHRPWJDILYDFMX-DOQYOOLYSA-N 469.506 1.475 50 40 JDGB C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=NNC(N)=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 252678613 GFJQQPYCTIQFPJ-QVFBGSPMSA-N 461.559 1.353 50 40 JDGB biogenic O=C(COc1ccc(Br)cc1)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408739437 BZPBRMCGLDJMGD-LKKXKRCMSA-N 475.324 1.994 50 40 JDGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCOC)cc2OCC)cc1 409150529 CPNBBZCRYRGPGT-CVKSISIWSA-N 486.525 1.714 50 40 JDGB C[C@H](/C(=N/NC(=O)C(N)=O)c1c(Cl)ccc(Cl)c1O)[C@@]1(O)C(=O)Nc2ccccc21 5813626 XCMZQLSKBKYPEW-XRFMXKOWSA-N 451.266 1.481 50 40 JDGB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)NNC(=O)c1ccc(Cl)cc1 9982402 UYAUMIBVPUYDCQ-UHFFFAOYSA-N 462.846 1.703 50 40 JDGB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1=O 12536697 KHPHHDBBRJWHFM-AREMUKBSSA-N 492.580 1.203 50 40 JDGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 18071875 CUXKPCRIYTWLLT-HNNXBMFYSA-N 493.538 1.092 50 40 JDGB C[C@@H](O)[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)O 70697579 LBTSRSJNTNGWCF-QXNXBQQASA-N 485.530 1.468 50 40 JDGB CCN(CC)C(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 408786249 NBYGCZXSXZJQKI-JAIQZWGSSA-N 485.360 1.839 50 40 JDGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408802781 HHTOBNNKNIALPX-WGARJPEWSA-N 477.477 1.940 50 40 JDGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCCOC)cc2)cc1 409167174 HGPPUYIOEQZUQR-MFKUBSTISA-N 456.499 1.706 50 40 JDGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1C 9050826 NOPBPLKLZHYBTB-XSFVSMFZSA-N 468.510 1.779 50 40 JDGB Nc1c(C(=O)OCC(=O)NNC(=O)c2ccccc2F)ccc2c1C(=O)c1ccccc1C2=O 22018041 JVEAOCYIMJMQEG-UHFFFAOYSA-N 461.405 1.801 50 40 JDGB O=C(O)CC[C@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 105303397 NRXFVCDLBRGEDJ-GZKOMSNYSA-N 453.083 1.082 50 40 JDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)cc(OC)c1OC 1879817 VHSWEPHPQRLKQY-FOKLQQMPSA-N 464.442 1.689 50 40 JDGB Cc1cc(NC(=O)CN2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)no1 2332028 VSVRKMIEBXLUGO-BBRXFSAJSA-N 461.110 1.699 50 40 JDGB COC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1 5028410 PQJRULKCNHNVEI-QGZVFWFLSA-N 459.411 1.475 50 40 JDGB CCOC(=O)C(=N/O)/C(C)=N/NC(=O)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 13770969 PEEAFECHOOWZRO-UBANWODGSA-N 452.489 1.628 50 40 JDGB COc1cc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1OC 30742566 QGLXQXQJGYDBKW-IWIPYMOSSA-N 490.582 1.477 50 40 JDGB CCOC(=O)COc1ccc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1OC 59639274 HUSCVRIHLRKGDZ-OPEKNORGSA-N 493.480 1.769 50 40 JDGB CCN(CC)S(=O)(=O)c1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)ccc1Cl 9050958 CUVWQMLJXLJEOU-CQSZACIVSA-N 451.998 1.476 50 40 JDGB COc1ccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc1Cn1nnc2ccccc21 2542028 YULCYPABJPWQDE-AUEPDCJTSA-N 473.457 1.106 50 40 JDGB COC(=O)c1ccc(Cl)cc1N/C=C1\C(=O)N(CCN2CCOCC2)C(=O)C(C#N)=C1C 9531470 QTRRVNUEBLJOPK-AQTBWJFISA-N 458.902 1.963 50 40 JDGB CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)CCc1ccco1)c(=O)n2Cc1ccccc1 12736320 BYHCCTCYXNGNMT-UHFFFAOYSA-N 492.536 1.437 50 40 JDGB O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NNC(=O)CN1C(=O)COc2ccccc21 12885645 IHXDDERMBRUMKP-INIZCTEOSA-N 460.899 1.716 50 40 JDGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cc(Br)ccc2O)cc1 16321243 ZFXRUVMAAWFIEQ-KEBDBYFISA-N 483.344 1.884 50 40 JDGB Cc1ccc(C)c(N2C(=O)C(=O)[C@H](c3nc4ccccc4s3)/C(=N/NC(=O)NN)C2=O)c1 102916970 ZNYHPZWSURWMDY-QUULWSKJSA-N 450.480 1.668 50 40 JDGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 39948777 HQDAEXXCJIWCOM-CJVAQADSSA-N 468.478 1.669 50 40 JDGB O=C(N/N=C1/C[C@H](N2C(=O)c3ccccc3C2=O)[C@@H]2CO[C@@H]1O2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 101012474 FJURCDYCERCTFV-DZAKTVEASA-N 481.377 1.399 50 40 JDGB COc1ccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N1CCCC[C@H]1C 9441742 DKUSXLXYMZGBHW-CQSZACIVSA-N 499.549 1.570 50 40 JDGB CSCC[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br 29748522 OFWVXUGPCJUTIZ-FHCJVZROSA-N 455.168 1.971 50 40 JDGB COc1cc(N/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc(OC)c1OC 8991588 ZMFOBFOOHNMBOO-KWZJRMENSA-N 461.496 1.404 50 40 JDGB COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3cccs3)n2CCC(N)=O)cc1OC 14240016 XYTFPQUAENMBDQ-UHFFFAOYSA-N 490.567 1.453 50 40 JDGB CCOc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1O 16693274 RXEGISLJUFWPJP-CIAFOILYSA-N 451.501 1.579 50 40 JDGB CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 138789908 PTHKLEBPPQZWGI-UHFFFAOYSA-N 455.467 1.977 50 40 JDGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 409151039 FVENQPAYQCEJJC-ZVHZXABRSA-N 470.482 1.030 50 40 JDGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)cc1 409252685 UPZFRJCMQHXERX-WGOQTCKBSA-N 496.520 1.586 50 40 JDGB COC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1 8637301 PQJRULKCNHNVEI-KRWDZBQOSA-N 459.411 1.475 50 40 JDGB O=C(COc1nsnc1N1CCOCC1)N/N=C/c1sc(=O)n(-c2ccccc2)c1Cl 10059350 DTHAALPFHOLZOQ-KEBDBYFISA-N 480.959 1.770 50 40 JDGB COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)c1 19925992 QHJWOPNQDOKTBP-OAQYLSRUSA-N 452.511 1.724 50 40 JDGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 58881507 PYYXXHXKUXXRIR-YBNTXHARSA-N 454.483 1.458 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2C(=O)O)c1-c1ccc([N+](=O)[O-])cc1 2394136 BQFSTLXNXCKISS-ZVBGSRNCSA-N 463.370 1.270 50 40 JDGB NC(=O)NCCCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 9545005 WRCWMDGYBQMFBH-UHFFFAOYSA-N 453.908 1.350 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)c1cccc(Br)c1 20060511 KEYKHEUHMGGQCO-UHFFFAOYSA-N 451.302 1.688 50 40 JDGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1ccc(O)cc1 408743137 UUVNWRCGSHEQBB-UMXKZIAQSA-N 461.297 1.934 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCC(=O)Nc1cccc(Cl)c1 409167124 HNDBOGAMARCURH-DHRITJCHSA-N 476.917 1.969 50 40 JDGB O=C(CNC(=O)c1ccccc1Br)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 3113400 SLFUYMGIMLQVOL-FBCYGCLPSA-N 466.204 1.851 50 40 JDGB CN(CC(=O)N/N=c1\sc2ccccc2n1C)S(=O)(=O)c1ccc2c(c1)OCCCO2 12825481 ZDKFPQZQQNCSRZ-XDOYNYLZSA-N 462.553 1.654 50 40 JDGB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NNC(=O)COc2cccc(F)c2)c1 32971043 FCRRPKFJAMESPK-UHFFFAOYSA-N 464.519 1.516 50 40 JDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NC3CCCC3)o2)cc1C 408802835 IBECIFDIBCQSHV-MXAYSNPKSA-N 453.499 1.660 50 40 JDGB CCOC(=O)C1=NO[C@H](Cc2c(/C=N\NC(=O)c3ccncc3)c(OC)c3c(c2OC)OCO3)C1 15085379 DHXPRMSENHDWDI-MVUDBPPZSA-N 484.465 1.842 50 40 JDGB COc1ccccc1NC(=O)/C(Cc1nc2ccc([N+](=O)[O-])cc2nc1O)=N\NC(=O)C[N+](C)(C)C 18114555 YGKKHJOVGVTANG-UHFFFAOYSA-O 496.504 1.612 50 40 JDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 20213178 AYOPNUBDVICAGG-SSDVNMTOSA-N 483.930 1.817 50 40 JDGB CCCS(=O)(=O)c1ncc(Br)c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])n1 28286824 HWTPYNADCGDSJG-UHFFFAOYSA-N 472.277 1.406 50 40 JDGB COc1cccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Br)cc3)CC2=O)c1 408644136 DGMJNTNLTLYYMA-CQSZACIVSA-N 490.310 1.815 50 40 JDGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cccc(Br)c2)cc1OC 409140728 IEVXXTSKJWSGAA-VXLYETTFSA-N 456.318 1.895 50 40 JDGB N#CC1=C(S)N([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C(c2ccccc2)=C[C@H]1c1cccs1 5536910 SSZDHVOMNOQWBF-VVBPCJSVSA-N 458.561 1.653 50 40 JDGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)/C=C/c2ccccc2OC)c2ccccc21 1817983 ZUGHJIRLVPDEHV-JYCCKMFLSA-N 464.478 1.255 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)c3ccccc3)CC2)cc1 9439131 VNGCGYASDZBUGJ-UHFFFAOYSA-N 458.540 1.069 50 40 JDGB CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C)=C\c1ccccc1 13787770 ZLRZRQDBOXTJAU-FYKLSXEASA-N 465.503 1.472 50 40 JDGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(C)(=O)=O)cc1OC 20211351 WKULUXPBZSMJPD-OEAKJJBVSA-N 462.528 1.969 50 40 JDGB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 32768874 OIHGHKYFJNVPAU-QGZVFWFLSA-N 481.596 1.626 50 40 JDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1)NC[C@@H]1CCCO1 58873591 XKZXKNGJNZLZPQ-ZAHDWXQSSA-N 472.929 1.781 50 40 JDGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21 9285610 ZOPWULPGEBDHLA-UHFFFAOYSA-N 471.539 1.460 50 40 JDGB CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)C[C@@H]1C=CCC1)c(=O)n2Cc1ccccc1 10161579 UWUKKVBCPVRRIL-GOSISDBHSA-N 478.553 1.568 50 40 JDGB Nc1nonc1-n1nnc(CN2CCOCC2)c1C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 25782480 CFSKGLDPQUFSBA-ODCIPOBUSA-N 466.289 1.135 50 40 JDGB O=C(N[C@@H](C(=O)N/N=C\c1ccc(O)cc1O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 58985651 GULJHSFZGTYVKV-CWOJIVPFSA-N 457.446 1.956 50 40 JDGB NS(=O)(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 245230434 RKRMYXYNEHATGY-PTEOKISQSA-N 478.162 1.616 50 40 JDGB COc1cc(/C=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(C)=O 14921659 JUVBBLFLXCDDFC-BHGWPJFGSA-N 459.455 1.526 50 40 JDGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)NC[C@@H]3CCCO3)NC(=O)[C@@H]2C(=O)OC)cc1 409334924 NNOVQKSFMXMEOW-KFKAGJAMSA-N 487.534 1.239 50 40 JDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 58881981 XEBDXEPJLXWWOG-WSSSDRMFSA-N 496.520 1.626 50 40 JDGB C[C@@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 102081574 RGFIBPKBUNYJOT-LDMLIMFISA-N 478.181 1.448 50 40 JDGB COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CN(C)C 2207527 WOYZAZJNQGKGNB-CGOBSMCZSA-N 454.278 1.373 50 40 JDGB COc1ccc(OCC(=O)NNC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 9186041 QFMZEYWXPLSMIV-UHFFFAOYSA-N 480.568 1.113 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 9317527 DFMYJYKRLXAVOZ-UHFFFAOYSA-N 487.582 1.707 50 40 JDGB O=C(NNC(=O)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1 9973316 WDPIHOYEGTXGQT-UXHICEINSA-N 476.441 1.983 50 40 JDGB COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Cl)cc1 20899466 BSEZRQIZJCOFKO-MRXNPFEDSA-N 467.931 1.343 50 40 JDGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 28213422 SKQGIASPJQSYPU-FSJBWODESA-N 464.519 1.645 50 40 JDGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccc(Br)cc1 408671728 ZZVRONVCFVEPLK-RPLLJCPNSA-N 492.326 1.175 50 40 JDGB CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)s1 408732691 XJDWISMUWQJZTG-UBKPWBPPSA-N 456.278 2.291 50 40 JDGB COc1ccccc1C/C(C)=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C 9496832 LORFGYJVJRYBJL-SSDVNMTOSA-N 483.518 1.010 50 40 JDGB CCCn1nc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c2ccccc2c1=O 9910669 FOAKZEYSJLPAOH-UHFFFAOYSA-N 456.528 1.483 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCOCC1)c1ccc(CC(C)C)cc1 20065839 XMNQKZJMVZHLMX-BUVRLJJBSA-N 467.534 1.417 50 40 JDGB COc1cccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)c1 408687077 UEHYDDWVHYVBTJ-YULKNUEKSA-N 455.294 1.643 50 40 JDGB NC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21 13774800 KMJGYSSWSUHPQN-KRUMMXJUSA-N 469.501 1.287 50 40 JDGB Nc1nnc(SCC(=O)NNc2ccc(NC(=O)CSc3nnc(N)s3)cc2)s1 19957130 KLVZQTPVAWFRGT-UHFFFAOYSA-N 469.603 1.520 50 40 JDGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(C)(=O)=O)cc1 408921799 XNQXQPULVZSSHR-LUILSVGHSA-N 462.528 1.254 50 40 JDGB CSc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CNc2ccccc2C(N)=O)cc1 2446790 LBIJSAWQOMZVTN-KIBLKLHPSA-N 492.525 1.429 50 40 JDGB COc1cc(/C=N/NC(=O)c2nc[nH]c2C(=O)N/N=C/c2ccc(O)c(OC)c2)ccc1O 2771309 TXVXIVPWIZMCBD-HGELYGIESA-N 452.427 1.366 50 40 JDGB Cn1ncc(I)c1C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1 651721 NFOPUOMYXLXIJB-KEBDBYFISA-N 481.294 1.790 50 40 JDGB COc1cc(/C=N/NC(=O)CCCCCNc2n[nH]c(=O)[nH]c2=O)cc(Br)c1O 1747743 GHAPEZPWGSMPGR-AWQFTUOYSA-N 469.296 1.058 50 40 JDGB O=C(CCCCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 8397942 IHXVUFACHVSQHG-UHFFFAOYSA-N 472.414 1.286 50 40 JDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1O 9293396 SUDFCINSRUGIHB-FOKLQQMPSA-N 463.458 1.347 50 40 JDGB Cc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(C)(=O)=O)cc1 20208016 GHQWPMNIYVQRNH-HYARGMPZSA-N 475.527 1.656 50 40 JDGB CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 138568723 YWKUDIYLGFBJLQ-UHFFFAOYSA-N 455.467 1.977 50 40 JDGB CC(=O)N[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OCCCCCCCl 245225890 YMILTQQBIHTPST-JAZQRGJZSA-N 465.927 1.458 50 40 JDGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccncc1 1529545129 YCAWOGMUVYNLOA-BLTFUYFMSA-N 453.524 1.967 50 40 JDGB Cc1ccc(S(=O)(=O)OC[C@H]2OCO[C@H]2[C@H]2OCO[C@H]2CI)cc1 5249489 TXLZNXHDIREUAS-LJISPDSOSA-N 470.281 1.618 50 40 JDGB N#C/C(=C\c1c(N2CCCCCC2)nc2ccccn2c1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 8691448 VCCPJYKYKXGGMX-MAUBAPBLSA-N 455.540 1.285 50 40 JDGB C[C@@H](CCC(=O)ON1C(=O)C[C@H](S(=O)(=O)O)C1=O)SSc1ccncc1C(=O)N(C)C 306146176 BZNFRACCQKDBEB-GWCFXTLKSA-N 491.569 1.166 50 40 JDGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 408972735 VXSBICQQWSLLDL-SCRDLHCBSA-N 454.527 1.919 50 40 JDGB CN(Cc1c(C(=O)N/N=C/c2ccc3c(c2)OCO3)nnn1-c1nonc1N)C1CCCCC1 2446509 IOBGPAKYYNRLOE-AUEPDCJTSA-N 467.490 1.490 50 40 JDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc(OC)c1O 9497770 OTRDUMLJKRLXLV-LIMNOBDPSA-N 494.424 1.115 50 40 JDGB C[C@H](CCC(=O)ON1C(=O)C[C@@H](S(C)(=O)=O)C1=O)SSc1ccc([N+](=O)[O-])cn1 306146952 QGJALSNSJKAIFI-MWLCHTKSSA-N 463.515 1.529 50 40 JDGB COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 408661748 HLVVVGNAUIAPIQ-UHFFFAOYSA-N 461.858 1.850 50 40 JDGB CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccc(N2CCOCC2)cc1 8992257 HRURIZXHNRNVLB-XLNRJJMWSA-N 451.527 1.360 50 40 JDGB C[C@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 102081589 RGFIBPKBUNYJOT-SYCKNICUSA-N 478.181 1.448 50 40 JDGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)cc2)cc1 409262234 FXWKQBQTPGANGF-WMPMWDHYSA-N 468.510 1.848 50 40 JDGB COCCn1c(SCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc2c1=O 6905307 HIVAZPXDOURVDP-UHFFFAOYSA-N 472.523 1.613 50 40 JDGB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)NNC(=O)c1ccc(Cl)cc1 138634014 LHDRBZGBDOCIQN-ZDUSSCGKSA-N 460.830 1.606 50 40 JDGB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)NNC(=O)c1ccccc1Cl 408658785 RJANTDIVAJAPRR-CYBMUJFWSA-N 493.303 1.491 50 40 JDGB CCOC(=O)C1=C2OC(N)=C(C#N)C(C#N)=C2C(=O)[C@H](C(=O)OCC)[C@H]1c1ccc(OC)cc1 2258295 JQNDTCFOMPKYKP-SJLPKXTDSA-N 463.446 1.902 50 40 JDGB COc1ccc(CC/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2nncn2C)cc1 9235669 HNDPLOVCGFTKRY-FSJBWODESA-N 497.545 1.400 50 40 JDGB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1 9468955 DDZORLOXWWNJJK-UHFFFAOYSA-N 474.539 1.155 50 40 JDGB CCOC(=O)C1=C2OC(N)=C(C#N)C(C#N)=C2C(=O)[C@H](C(=O)OCC)[C@@H]1c1ccc(OC)cc1 2258297 JQNDTCFOMPKYKP-FUHWJXTLSA-N 463.446 1.902 50 40 JDGB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 12800979 BDAKMTCBYZOASD-HNNXBMFYSA-N 493.611 1.301 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OC)c(O)c2)c(OC)c1 408922792 HCHIOWANBJLTSM-JRASGKOJSA-N 498.492 1.739 50 40 JDGB CCOc1cccc(-c2c(C(=O)N/N=C/c3cc(OC)c(O)c(OC)c3)nnn2-c2nonc2N)c1 1866466 RAJRARIEGFSOPH-BHGWPJFGSA-N 494.468 1.785 50 40 JDGB Cc1ccc(OCC(=O)NNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1C 9768096 HNCLRPSOQOWXND-UHFFFAOYSA-N 465.503 1.303 50 40 JDGB CCOc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OCC)cc2)C=3C(N)=O)cc1 12411691 QPGNVRAYTALTGB-NNVROAHOSA-N 488.569 1.620 50 40 JDGB CSCC[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 105303649 OFWVXUGPCJUTIZ-GXXJIYDSSA-N 455.168 1.971 50 40 JDGB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CS[C@H]1CCCCO1)C(=O)NN 245246128 JGYLWJRNTLNAQJ-SQNIBIBYSA-N 466.604 1.857 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(OC)c1 409158466 YFVJGXNNZHHDAL-WYMPLXKRSA-N 462.890 1.579 50 40 JDGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)N3CCCC3)c2)cc1OC 409259173 XVKDAPQPFCSHEZ-JVWAILMASA-N 482.537 1.514 50 40 JDGB CCN(CC)c1nc(Oc2ccc(C(=O)NN)cc2)nc(Oc2ccc(C(=O)NN)cc2)n1 2313092 XUDFOVUQNBNNQP-UHFFFAOYSA-N 452.475 1.509 50 40 JDGB NC(=O)c1ccccc1NCc1c(C(=O)N/N=C/c2cccc(Cl)c2)nnn1-c1nonc1N 9309230 VWQVNYKYIISIEF-YCPBAFNGSA-N 480.876 1.361 50 40 JDGB Cc1cc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)ccc1Br 12944285 RPRIHGHWQDDAHH-UHFFFAOYSA-N 475.390 1.982 50 40 JDGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccc(OC)c(OC)c1OC 16291179 LDCWWAPBHVYRAX-UUYOSTAYSA-N 465.528 1.800 50 40 JDGB O=C(NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1)c1ccccn1 11605099 XUFAUPRFCPKCSJ-MRXNPFEDSA-N 467.345 1.849 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)NCc1ccccc1 409256473 OTHHKHNAGGDLFT-MZJWZYIUSA-N 464.478 1.750 50 40 JDGB CC(=O)OC[C@@H]1O[C@@H](n2nnc(CCl)c2CCl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 5439768 AOOJZUQUEKZUJM-FLXSYLCISA-N 496.300 1.011 50 40 JDGB CCOc1ccc(C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2)cc1OC 12693914 UNTFKEXUBFTBSO-QGZVFWFLSA-N 477.539 1.088 50 40 JDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NCc3ccccn3)o2)cc1 408799202 GWWRYPPPFNZMPH-VYYCAZPPSA-N 462.466 1.004 50 40 JDGB CN(Cc1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)nnn1-c1nonc1N)c1ccccc1 9111194 YOEGFJQINVVAET-SSDVNMTOSA-N 462.430 1.541 50 40 JDGB COc1cc(OC)c(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 13004904 XUFKTQPKAYRBCQ-UHFFFAOYSA-N 471.919 1.448 50 40 JDGB CCC(=O)OC[C@@H]1O[C@@H](n2nc(Br)c(O)nc2=O)[C@@H](Br)[C@H]1OC(=O)CC 35585695 LMKFFNJPJUYLNP-SEUCRPFGSA-N 499.112 1.042 50 40 JDGB Cc1nnn(C23C[C@H]4C[C@H](CC(C(=O)NN[C@H]5CC(=O)N(c6cccc(C)c6C)C5=O)(C4)C2)C3)n1 35669813 BCMSYQAJNURIKK-AJZUKMFKSA-N 477.569 1.847 50 40 JDGB O=C(Cn1cc(I)c(=O)c(I)c1)OCCCl 66323388 CYRCWXDNSDQEIY-UHFFFAOYSA-N 467.428 1.840 50 40 JDGB Cc1ccc(N2C(=O)[C@H](/C=N/NC(=O)COc3ccccc3[N+](=O)[O-])C(=O)NC2=S)cc1 408753244 FUOODSSJRHRFGQ-YVJZOELXSA-N 455.452 1.448 50 40 JDGB COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)c2)cc1 409253072 GAFLYUCIADGGJF-ORBAKXMTSA-N 454.483 1.458 50 40 JDGB O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 9368545 CMMSHJDXKXCSMB-LPYMAVHISA-N 459.484 1.259 50 40 JDGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)c1OC(C)=O 13750608 GNLCCWZMMWBJBU-BHGWPJFGSA-N 497.516 1.162 50 40 JDGB COc1ccc(/C(C)=N/OCC(=O)N/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1OC 33089258 PPRDPZUGZQQLPS-DDNHFCHMSA-N 495.536 1.601 50 40 JDGB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)NNC(=O)c1ccc(Br)cc1 408645286 KUXMPBUXMHNDHM-ZDUSSCGKSA-N 464.272 1.395 50 40 JDGB C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408666820 STHBPNQLVZEILJ-KMNSEVKQSA-N 492.326 1.173 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC)ccc1OCC(=O)Nc1cccc(OC)c1 409165261 VLLVCHSXFIYUDW-CVKSISIWSA-N 486.525 1.714 50 40 JDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1cccc(S(=O)(=O)N2CCCC2)c1 12928082 KFNHCVBPYKJSCE-INIZCTEOSA-N 474.514 1.424 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc21)c1ccccc1O 15837247 PRUOCXBDAOCRAC-ZMOGYAJESA-N 459.470 1.655 50 40 JDGB COc1cc(/C=N\NC(=O)Cn2nc(C)[nH]c2=S)ccc1OC(=O)C[C@H]1SC(=O)NC1=O 32509100 WCPJABYDMNVTPP-ZXXBKUHXSA-N 478.512 1.055 50 40 JDGB COCCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 59960486 ATBLCOJCBZEZET-JXYIUTTOSA-N 454.527 1.936 50 40 JDGB CCOC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@H](N)CCC(=O)O 4773982 NYHRFWFTQJDHSE-IAGOWNOFSA-N 462.374 1.753 50 40 JDGB CC(=O)OC[C@H]1O[C@H](Br)[C@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 34553837 GRDUQQNEXMJRRS-ZKXLYKBJSA-N 498.282 1.198 50 40 JDGB in-vitro COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)c(OC)c1 408686113 SAWOQMRWIHZWFD-QHQVIKIASA-N 485.320 1.651 50 40 JDGB O=C(CCNC(=O)c1ccccc1Br)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 8871550 FTZLFMYYOHJCGH-UHFFFAOYSA-N 460.244 1.950 50 40 JDGB COc1ccc(CC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(OC)c1OC 12820422 KJPFXWFCLLWUSI-UHFFFAOYSA-N 477.539 1.501 50 40 JDGB Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)n1 13148543 IAJAMHSOBHYOBE-GJZGRUSLSA-N 483.978 1.412 50 40 JDGB COc1ccc(/C(C)=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)cc1[N+](=O)[O-] 35190355 QJGZNXXUNCRUQE-FBYPQVGPSA-N 498.504 1.678 50 40 JDGB COc1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)cc1O 39948778 UPSPBNFJCZOYEF-SKKJWADRSA-N 455.479 1.085 50 40 JDGB CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccc(C(F)(F)F)cc1 2242815 YHIKAXZNJMMTHC-NUGSKGIGSA-N 451.413 1.857 50 40 JDGB CCCCC(=O)NN/C=C1/C(=O)N=C(O)N(c2ccc(I)cc2)C1=O 2355896 WZWMBTKGMITBQW-XFXZXTDPSA-N 456.240 1.773 50 40 JDGB CN(CCCC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O)S(=O)(=O)c1ccc(F)cc1 10159408 GRWZSJHRWZYEAS-UHFFFAOYSA-N 475.502 1.579 50 40 JDGB Cc1cccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(C)(=O)=O)c1C 408923973 IUETXLMAHDFRKH-OEAKJJBVSA-N 489.554 1.965 50 40 JDGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)NCC(C)C)NC(=O)[C@H]2C(=O)OC)cc1 409325851 BWOJIGQFGWGAFL-ROUUACIJSA-N 459.524 1.716 50 40 JDGB CN1C(=O)/C(=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c2ccccc21 409335682 YMSMKDWXGRKAED-JJIBRWJFSA-N 454.430 1.968 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)CCc3ccc4c(c3)OCO4)C2)cc1 24750315 LDKVEJKPDDFDSM-GOSISDBHSA-N 473.551 1.905 50 40 JDGB C[C@@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100833853 RGFIBPKBUNYJOT-UEICNUPNSA-N 478.181 1.448 50 40 JDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1C#N 409005086 CMORLEHTEFGDHI-DHRITJCHSA-N 481.513 1.597 50 40 JDGB COc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1[N+](=O)[O-] 409024199 BKDSHCSFRITJSZ-VCHYOVAHSA-N 451.417 1.428 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCC(=O)N1CCOCC1 409253959 HEQCIJITIKATFI-AFUMVMLFSA-N 468.510 1.638 50 40 JDGB COc1ccc(N2C(=O)C[C@@H](NNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)C2=O)cc1Cl 3375098 RAAIIPDMGBMZOU-QGZVFWFLSA-N 494.957 1.230 50 40 JDGB COc1ccc(C(=O)NNC(=O)CSc2ccccc2F)cc1S(=O)(=O)N1CCOCC1 9912275 SKFSXYCIGYVFRI-UHFFFAOYSA-N 483.543 1.409 50 40 JDGB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccccc1 408654264 BCLDUMPATUKWDX-PTLNGURQSA-N 489.528 1.633 50 40 JDGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccccc3C(=O)O)CC2)cc1OC 408972576 VLWYJHNZODWSJY-OEAKJJBVSA-N 475.523 1.953 50 40 JDGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 13011932 QKOBKWGCGQOBGA-OAGGEKHMSA-N 479.530 1.852 50 40 JDGB COc1cc(OC)c(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)c(OC)c1 13514166 ZUZQCNWFURGVPG-BHGWPJFGSA-N 478.469 1.998 50 40 JDGB Cc1ccc(NC(=O)/C(CC(=O)c2c[n+]([O-])c3ccccc3[n+]2[O-])=N/NC(=O)C[n+]2ccccc2)cc1 17196824 PCWNJNUSRAHJDI-UHFFFAOYSA-O 499.507 1.086 50 40 JDGB COc1cc(N2C(=O)/C(=C\NNC(=O)c3ccncc3)C(O)=NC2=S)cc(OC)c1OC 38181014 PCVJIXRJDMVCGJ-RAXLEYEMSA-N 457.468 1.514 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1O 409264977 NCUUYOYIPDEPSZ-ODCIPOBUSA-N 497.245 1.501 50 40 JDGB CCN(CC)Cc1c(C(=O)N/N=C/c2ccc(Br)s2)nnn1-c1nonc1N 3663693 XOZBQWJKEMKOCQ-CNHKJKLMSA-N 468.341 1.662 50 40 JDGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccccn3)cc2)cc1 58873898 AJMHHSLSAZMYNT-MZJWZYIUSA-N 461.478 1.874 50 40 JDGB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NNC(=O)c1ccccc1 408667854 TXVLNEVIKLVGLN-NJYVYQBISA-N 475.501 1.553 50 40 JDGB CN([C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1=O)[C@@H]1CCc2c(Br)cccc21 2087175596 YGSKMJZEYGWTQQ-UXHICEINSA-N 471.160 1.879 50 40 JDGB COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@@H](c1ccc(F)cc1)C=2C(=O)Nc1ccc(C)cc1 3769892 QYNNMWLUEKJCDC-ZMUHTPIZSA-N 490.516 1.549 50 40 JDGB CN(C)N(C(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 25050946 WMWNZURQAJGBSF-KRWDZBQOSA-N 451.570 1.618 50 40 JDGB C[C@@H](O)[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)O 100770393 LBTSRSJNTNGWCF-KGCJSSEGSA-N 485.530 1.468 50 40 JDGB biogenic Cc1cccc(C(=O)NN2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)c1 408656171 MRQQZMKHRORZBG-OAHLLOKOSA-N 472.885 1.146 50 40 JDGB CNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccccc2)c(OC)c1 409160809 ZOBWDMBSIVAIRW-LSHDLFTRSA-N 463.288 1.671 50 40 JDGB Cc1ccc(S(=O)(=O)OC[C@@H]2OCO[C@H]3[C@H]2OCO[C@H]3CI)cc1 5732503 GNAYGCDTBNSBNU-XQLPTFJDSA-N 470.281 1.618 50 40 JDGB Cc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)CC1=O 408651800 FBVIILNOELBGEU-CQSZACIVSA-N 472.885 1.146 50 40 JDGB CC(=O)c1cccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)c1 408658163 IBWMZWJVKPQVRT-YWALVYIISA-N 467.305 1.837 50 40 JDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccc([N+](=O)[O-])c2)cc1OC 3095488 VEMDSDXFKOYIAC-LSHDLFTRSA-N 479.413 1.589 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CSc2nnc(-c3ccccc3)o2)cc1 9442243 JJCREQCUQPQESB-UHFFFAOYSA-N 475.552 1.605 50 40 JDGB CC/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C)c1ccc(C)cc1 9499932 LDDIORAMNOBQCX-LPYMAVHISA-N 467.519 1.506 50 40 JDGB O=C(O)CC[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 101052484 NRXFVCDLBRGEDJ-MMCTYYIXSA-N 453.083 1.082 50 40 JDGB CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1 139081617 HDFHDTWJFVABJY-MRXNPFEDSA-N 487.896 1.874 50 40 JDGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccncc1 408953765 YCAWOGMUVYNLOA-FQEVSTJZSA-N 453.524 1.967 50 40 JDGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 409026996 ODWANXZFDMMBPO-WSDLNYQXSA-N 491.526 1.415 50 40 JDGB CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 409267477 VDUDNQHCETTWRX-MOYYISEASA-N 468.510 1.848 50 40 JDGB C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2C1 9783420 SAYGHPAKDPHICS-CQSZACIVSA-N 463.581 1.969 50 40 JDGB COc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1OC 9307849 JKEBVMDVWFOOOA-BHGWPJFGSA-N 492.452 1.799 50 40 JDGB CCn1c(NNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)nc2ccccc2c1=O 11156168 COENSIHZKRHFKJ-HOTGVXAUSA-N 485.566 1.971 50 40 JDGB CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 25398382 MPBKTMFQTCSYSL-JXFKEZNVSA-N 489.598 1.660 50 40 JDGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 58884273 YKINTBRQXXPMQX-NTMAZONMSA-N 452.511 1.688 50 40 JDGB C/C(N)=C(\C#N)C(=O)COC(=O)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 103116153 CQNORSAIAVSECJ-CLFYSBASSA-N 485.143 1.903 50 40 JDGB COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc1 408685699 QZZUGTNBTNBRIV-YULKNUEKSA-N 455.294 1.643 50 40 JDGB CN(c1ccc(C(=O)NN=C2C(=O)Nc3ccc(Br)cc32)cc1)S(C)(=O)=O 409111692 DXMUFFAKWIKFCS-UHFFFAOYSA-N 451.302 1.931 50 40 JDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NCc3ccncc3)o2)cc1 408874683 FCNULUWLQDWMPW-VYYCAZPPSA-N 462.466 1.004 50 40 JDGB O=C(NCc1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1 409249101 ILEXWPZKMYXJHJ-DHRITJCHSA-N 452.467 1.183 50 40 JDGB CCOc1ccc(-c2c(C(=O)N/N=C3\C(=O)Nc4ccccc43)nnn2-c2nonc2N)cc1 2199725 VAFJTCAOTUXMGI-UHFFFAOYSA-N 459.426 1.384 50 40 JDGB CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C2C(=O)NC(=O)NC2=O)cc1 8763928 GNMSXLHKFFNHSH-JXAWBTAJSA-N 476.493 1.142 50 40 JDGB CCn1c(C)nc2cc(C(=O)NNC(=O)CCNC3=NS(=O)(=O)c4ccccc43)ccc21 9442569 WDYSTYUWTCPFSS-UHFFFAOYSA-N 454.512 1.254 50 40 JDGB COc1cc(C(=O)NNC(=O)CNC(=O)c2ccc(Br)o2)cc(OC)c1OC 12972289 RKUKTPCIKCOLQF-UHFFFAOYSA-N 456.249 1.259 50 40 JDGB CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)n(C)c1 40013765 CREFLGZZAKMQJB-UHFFFAOYSA-N 472.552 1.717 50 40 JDGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21 100282822 AXTLDWLYNPULAV-QCWLDUFUSA-N 484.512 1.975 50 40 JDGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1 408782244 GJQROHUBVAWRMY-XKZIYDEJSA-N 456.480 1.856 50 40 JDGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cccnc1 408942061 FJZLCLBIQONIPU-HXUWFJFHSA-N 453.524 1.967 50 40 JDGB CCOc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OCC(=O)N1CCOCC1 409015757 SCBHYVNFXHFDNA-OYKKKHCWSA-N 486.481 1.760 50 40 JDGB CC(=O)OC[C@H]1O[C@@H](n2nnc(CCl)c2CCl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 5439765 AOOJZUQUEKZUJM-DFBDCSAJSA-N 496.300 1.011 50 40 JDGB COc1ccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 14240068 DXAGGCMWIJQJOR-UHFFFAOYSA-N 461.540 1.956 50 40 JDGB COc1ccc(/C=N\NC(=O)Cc2nnc(NC(=O)c3nc[nH]n3)s2)cc1Br 33525597 KTMGDAFLZGMVPO-FXBPXSCXSA-N 465.293 1.372 50 40 JDGB O=C(NCc1ccccn1)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408771930 JDFLNRJNMLBZBH-MSXFZWOLSA-N 475.914 1.573 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cccc(F)c1 409122130 ZONLOHYJUODCAL-LPYMAVHISA-N 479.490 1.487 50 40 JDGB CCn1c(C)nc2cc(C(=O)NNC(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)ccc21 2644637 MWQGWCNCIZJLOR-UHFFFAOYSA-N 491.595 1.451 50 40 JDGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](C)NC(=O)c2ccco2)c1 4647454 AYXFGVLEXGBOGY-AWEZNQCLSA-N 486.506 1.669 50 40 JDGB C/C(N)=C(\C#N)C(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 104851245 VVBXTYOPHAANSE-QBOMHBFWSA-N 458.334 1.621 50 40 JDGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)NNC(=O)c1ccc([N+](=O)[O-])cc1 408732737 YBZJAJSPMAPWDH-UHFFFAOYSA-N 471.411 1.611 50 40 JDGB CN(C)Cc1c(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)nnn1-c1nonc1N 3640513 QMLLFANDMCADHM-OPEKNORGSA-N 479.476 1.776 50 40 JDGB Cn1c(CC(=O)NNC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)nc2ccccc21 12580214 PBBLXHSULNQNBX-UHFFFAOYSA-N 465.535 1.785 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 13986799 KHKVIOPHWRXVLP-ASIDMNOUSA-N 474.470 1.339 50 40 JDGB COc1cc(C(=O)N[C@H](CCSC)C(=O)OCC(=O)/C(C#N)=C(/C)N)cc(OC)c1OC 104851124 KUKYCTYGUDPNEP-IKESIWSLSA-N 465.528 1.432 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(OC)c1 408921656 BVDXYZOAUBUTHO-RTMRUCDXSA-N 497.464 1.933 50 40 JDGB C/C(=C/CO)CCC1=C(C=O)C[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@](C)(CO)CCC[C@@]12C 1534688746 IQHRODLFQNPIDT-KLNCBDKVSA-N 468.587 1.234 50 40 JDGB COC(=O)c1ccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 30742842 QGAQPMCTUAUBAI-HAHDFKILSA-N 458.540 1.238 50 40 JDGB COc1ccc(/C=N/OCC(=O)N/N=C2\C(=O)N(CN3CCCC3)c3ccccc32)cc1OC 100585714 KJNGGVSPKUXKDI-BYQOOLQGSA-N 465.510 1.975 50 40 JDGB COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1 408678040 CMJIKCXHGDXFIE-HTQXZECBSA-N 454.273 1.757 50 40 JDGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccc(Br)c2)c2ccccc21 1300373 QSWCKCWECBNYHN-PLRJNAJWSA-N 487.310 1.609 50 40 JDGB O=C(CCCc1c[nH]c2ccccc12)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 10031982 BISLHNBWITZTFY-UHFFFAOYSA-N 470.551 1.973 50 40 JDGB CCCN1C(=O)/C(=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 100722199 IZVLFHOAMBSVOY-LHLOQNFPSA-N 454.483 1.719 50 40 JDGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1cccc(OCC(N)=O)c1 408969270 KJIMLBOIUUADMF-VEDIRDOVSA-N 454.527 1.919 50 40 JDGB CCOc1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1OCC(=O)N1CCCCC1 9256954 NPIZGYOWGGQXJJ-UHFFFAOYSA-N 493.524 1.527 50 40 JDGB C/C(=N\NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9703906 TUKAOIBXGWSOTC-LFVJCYFKSA-N 479.522 1.952 50 40 JDGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 58873865 NTWFJZJCIWHPCL-PYGAFPFSSA-N 454.483 1.458 50 40 JDGB C[C@H](C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)N(c1ccccc1)S(C)(=O)=O 408909006 ZYDMBFUDMGPDDA-WCIBBKAISA-N 488.566 1.229 50 40 JDGB COCc1cc(C)nc(SCC(=O)N/N=C\c2ccc(OCC(=O)N3CCOCC3)cc2)c1C#N 409011850 OHWOSYMQLOQCSM-ZMFRSBBQSA-N 497.577 1.888 50 40 JDGB N#CC1=C(N)n2c(s/c(=C/c3ccc4c(c3)OCO4)c2=O)=C(C#N)[C@@H]1c1ccc2c(c1)OCO2 2920433 MVNCAZXPJWYDBP-BEJZVKINSA-N 470.466 1.319 50 40 JDGB CCCn1nc(C(=O)NNC(=O)CSCC(=O)Nc2ccc(OC)cc2)c2ccccc2c1=O 15947373 OZDYVJSTHOFOFD-UHFFFAOYSA-N 483.550 1.948 50 40 JDGB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CBr)C[C@@H]3O 38361838 JBZMHBHXHFZSMN-CWKPULSASA-N 477.263 1.557 50 40 JDGB in-vitro CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 9440311 LITAEOUNFZIQPH-QGZVFWFLSA-N 469.523 1.001 50 40 JDGB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 9915611 VWIJJKMVAGCOSO-UHFFFAOYSA-N 470.511 1.165 50 40 JDGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)c1 12753844 HZGUEIVXWUBLPL-QZTJIDSGSA-N 475.567 1.941 50 40 JDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1)NCCc1ccccc1 58873826 CFMVGTPEPKROSP-NQLRXCNRSA-N 452.511 1.170 50 40 JDGB N#C/C(=C/c1cc(Br)c(OCC(=O)O)c(I)c1)C(=O)NC(N)=O 409229547 QWQFUXGKZQEGMI-XFSBKJJWSA-N 494.039 1.619 50 40 JDGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cccnc2)c(OC)c1 16682498 HBJZWUWOYQOLGW-AXDLBROPSA-N 467.482 1.810 50 40 JDGB O=C(CCCC(=O)OCC(=O)NNC(=O)c1ccccc1Cl)NNC(=O)c1ccccc1Cl 408648025 WROBBOHFFPRLKF-UHFFFAOYSA-N 495.319 1.929 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cccc(OC)c2O)c(OC)c1 408922957 HZDXITIOBGRHKQ-ZPBGBCLFSA-N 498.492 1.739 50 40 JDGB Cc1ccc(C)c(NC(=O)CC/C(=N\NC(=O)C(=O)NN)[C@H](C)C(=O)c2ccc(O)cc2)c1 16952972 CMVWJAMYCPIRQE-OEGVVYNJSA-N 453.499 1.709 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(OC)c1 409170148 UIFXHALFYFDONR-WYMPLXKRSA-N 462.890 1.579 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccccc1 409257027 RBVCBCGSSRVZBB-YBNTXHARSA-N 454.483 1.458 50 40 JDGB O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1 3042492 BLPNSVWTSCFIMI-UHFFFAOYSA-N 492.404 1.653 50 40 JDGB C/C(N)=C(\C#N)C(=O)COC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 9562853 VRWVTPMGSHWLCK-PEZBUJJGSA-N 451.501 1.165 50 40 JDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1)NCCc1ccccc1 58873927 HHEUWPWUAPNGTM-STBIYBPSSA-N 459.506 1.586 50 40 JDGB O=C(NNS(=O)(=O)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1406890 RJAQXQMPWGONEG-UHFFFAOYSA-N 457.961 1.750 50 40 JDGB COc1ccc2c(c1)NC(=O)/C2=N\NC(=O)CCCCC(=O)N/N=C1\C(=O)Nc2ccc(OC)cc21 2360998 DVBNGQWLMKAGDS-UHFFFAOYSA-N 492.492 1.509 50 40 JDGB CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H](CCC(N)=O)NC(=O)c2ccc(Cl)cc2)cc1 13121019 AJGKRVLRNYNVMT-GOSISDBHSA-N 460.918 1.952 50 40 JDGB O=C(O)CS[C@H](NNC(=O)C(=O)NN[C@H](SCC(=O)O)c1ccccc1)c1ccccc1 16758416 ZCSDAMAXHPJBDD-BGYRXZFFSA-N 478.552 1.261 50 40 JDGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 25376580 PYZIXKSNLKCWJB-OAHLLOKOSA-N 495.529 1.660 50 40 JDGB CC(C)c1ccc2c(c1)=C(NNC(=O)c1cccc(S(=O)(=O)N3CCCCC3)c1)C(=O)N=2 96129286 GIWNNQOZBBZBAV-UHFFFAOYSA-N 454.552 1.187 50 40 JDGB O=C(NNC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)c1ccc(Br)cc1 408681086 FAEKAUKNZFUDHU-GRRRKWKPSA-N 458.106 1.781 50 40 JDGB COc1ccc(Br)cc1/C=N/NC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 409144132 XLNZGMPEWSWJGU-KEBDBYFISA-N 486.344 1.904 50 40 JDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(Cl)c([N+](=O)[O-])c1 8990973 ZLLAOYDHNSXRMX-QENILXLESA-N 450.860 1.940 50 40 JDGB Cn1cnnc1SCc1c(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)nnn1-c1nonc1N 9307400 XGDHOJZLWAGKDH-DENHBWNVSA-N 494.328 1.724 50 40 JDGB COc1cc(OC)cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)c1 14094844 NHFDOPIQPRTNJX-GASCZTMLSA-N 477.539 1.577 50 40 JDGB COc1ccccc1NC(=O)NNC(=O)CCCC(=O)NNC(=O)Nc1ccccc1OC 104081909 BCWYEJBVGUVTHO-UHFFFAOYSA-N 458.475 1.880 50 40 JDGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c(N3C[C@H](C)O[C@@H](C)C3)nc12 170602523 LHOKHXFDQNQIHG-KPHJONDFSA-N 451.527 1.819 50 40 JDGB COc1ccc(OC)c(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)c1 408682666 LDMYLCSZVYZUCF-QHQVIKIASA-N 485.320 1.651 50 40 JDGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NN1C(=O)c2cccc3c(N(C)CCO)ccc(c23)C1=O 8443221 JZFMDZHBQISDLM-PDGQHHTCSA-N 459.462 1.091 50 40 JDGB Cc1ccc(OCc2ccc(C(=O)NNC(=S)NCCCN3CCOCC3)o2)c([N+](=O)[O-])c1 33522470 QGVLFGXSZCNHLP-UHFFFAOYSA-N 477.543 1.906 50 40 JDGB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NNC(=O)CSc1cccc2cccnc12 10275606 DPSVRQWCDMKNIB-UHFFFAOYSA-N 469.548 1.603 50 40 JDGB COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)c(OC)c1 408686107 SAWOQMRWIHZWFD-AYCMENBISA-N 485.320 1.651 50 40 JDGB COc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)c(OC)c1 408778317 DIBFZMQOCWVFRQ-CIAFOILYSA-N 451.501 1.637 50 40 JDGB C#CCN1C(=O)/C(=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c2cc(Br)ccc21 9056533 NTFOHRIBMUFBJN-PTGBLXJZSA-N 464.283 1.603 50 40 JDGB C=CCN1/C(=N/C=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)S[C@@H]2CS(=O)(=O)C[C@@H]21 9130517 OFLMKAIZSDCAEC-IJCALQJUSA-N 490.607 1.526 50 40 JDGB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NNC(=O)c1ccc2c(c1)OCCCO2 14244778 DZBYDWQHYCWESA-UHFFFAOYSA-N 453.476 1.971 50 40 JDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 20211367 LCFVDWPBOBQNFI-WSDLNYQXSA-N 479.511 1.172 50 40 JDGB CCCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)[C@H](C(=O)OC)C(=O)N1 409321511 GVEQWBJTCVVRHS-MSOLQXFVSA-N 459.524 1.860 50 40 JDGB Cc1ccc(S(=O)(=O)OC[C@@H]2OCO[C@H]2[C@H]2OCO[C@H]2CI)cc1 5249491 TXLZNXHDIREUAS-ZQDZILKHSA-N 470.281 1.618 50 40 JDGB N#CC1=C(S)N([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C(c2ccccc2)=C[C@@H]1c1cccs1 5536914 SSZDHVOMNOQWBF-ASZJKOJHSA-N 458.561 1.653 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 13134420 NZJMDUDTJSRXEJ-UHFFFAOYSA-N 455.540 1.879 50 40 JDGB COc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)S(C)(=O)=O)cc1 20060424 BTIRFHFRYBMQGW-UHFFFAOYSA-N 481.328 1.696 50 40 JDGB Cc1cc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)no1 102072170 VSVRKMIEBXLUGO-BOKPKCGUSA-N 461.110 1.699 50 40 JDGB COCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(OC)c1 409151764 HZQZWSACIDYIHU-DHRITJCHSA-N 476.917 1.969 50 40 JDGB O=C(CC(=O)NNC(=O)c1ccc(Br)cc1)NNC(=O)c1ccc(Br)cc1 3039193 CXZQNIIRKFYGRM-UHFFFAOYSA-N 498.131 1.824 50 40 JDGB CCCCn1c(=O)[nH]c(=O)c2c1nc(CCC(=O)NNC(=O)c1ccccc1F)n2CC(C)C 10741274 AFASSBFPCSXWJP-UHFFFAOYSA-N 472.521 1.875 50 40 JDGB Nc1nonc1C(=O)N/N=C\c1cc(I)cc(I)c1O 408720574 VLRYCHMUSGAITK-BNNQUZSASA-N 499.006 1.331 50 40 JDGB COC(=O)C1=c2s/c(=C/c3ccc(F)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(F)cc1 13755939 DKVJJYTVPPFIIZ-WAFWZSCLSA-N 451.454 1.789 50 40 JDGB COc1cc(OC)cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)c1 14094843 NHFDOPIQPRTNJX-HUUCEWRRSA-N 477.539 1.577 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 17191237 NNIVDEMFKSHFRB-IBGZPJMESA-N 483.550 1.246 50 40 JDGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCOCC1 409248533 GZCBPUFFRTWOJM-BUVRLJJBSA-N 454.483 1.412 50 40 JDGB CC(C)c1cccc(N2C[C@H](C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2=O)c1 13011672 XCPZXLNAQQQIGM-MRXNPFEDSA-N 457.556 1.917 50 40 JDGB Cc1cc(C)nc(SCc2nnc(SCC(=O)NNC(=O)c3ccccc3O)n2C)n1 26099233 DGFRNAPOAFIWKX-UHFFFAOYSA-N 459.557 1.773 50 40 JDGB COc1ccc(/C(C)=N/OCC(=O)N/N=C2\C(=O)N(CN3CCN(C)CC3)c3ccccc32)cc1 22780378 RQDLHTJAURYNNN-KMXCHMPFSA-N 478.553 1.508 50 40 JDGB CCOc1cccc(-c2c(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])nnn2-c2nonc2N)c1 1896649 QDJFOFZSIOZAHB-SSDVNMTOSA-N 463.414 1.970 50 40 JDGB COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@@H](c1ccncc1)C=2C(=O)Nc1ccc(C)c(C)c1 3764702 CHGOOLRPWCXHFD-ZMUHTPIZSA-N 487.541 1.113 50 40 JDGB C/C(CN1C(=O)c2ccccc2C1=O)=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1 12362420 DZPLLAMTTSECEP-WYMPLXKRSA-N 471.437 1.301 50 40 JDGB NC(=O)N[C@@H](CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1Cl 13134845 NEAHHXZHXCIENS-SFHVURJKSA-N 493.973 1.685 50 40 JDGB CCOc1cc(/C=N/NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1O 36489338 KRPIVIAMDQKBJO-HZHRSRAPSA-N 460.556 1.556 50 40 JDGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 408775000 FBEQECHVZHDZPP-CIAFOILYSA-N 451.501 1.637 50 40 JDGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1)S(C)(=O)=O 409116264 MCVFASZZXUWKIL-HZHRSRAPSA-N 474.539 1.084 50 40 JDGB CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCOC)CC1 9075307 NALRTDUCMGHGDL-NBVRZTHBSA-N 467.526 1.452 50 40 JDGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCOC)cc1OC 409159762 XDFPZJQKQMCZFV-AFUMVMLFSA-N 456.499 1.488 50 40 JDGB CCn1c(NNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc2ccccc2c1=O 11159480 UZQARHAKHJDZDI-UHFFFAOYSA-N 480.550 1.721 50 40 JDGB COc1cc(C(=O)N[C@@H](C(=O)NNC(=O)c2cc(Cl)cn2C)C(C)C)cc(OC)c1OC 32841955 WVTRJRBLVCJQCY-QGZVFWFLSA-N 466.922 1.920 50 40 JDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(I)c(O)c(OC)c2)cc1 409262842 KDJDZVSWFXDHPM-UFFVCSGVSA-N 483.262 1.781 50 40 JDGB Cc1csc(CC(=O)NNC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)n1 21672191 UUAJDAGASLIINK-UHFFFAOYSA-N 456.494 1.768 50 40 JDGB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NNC(=O)Cc2nc3ccccc3n2C)C(C)C)c1 26538087 PQYBGIJZRCRNGP-QFIPXVFZSA-N 467.526 1.735 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(N(C)C)o2)c(OC)c1 408921659 BVWFOAVWJYSEKR-RTMRUCDXSA-N 485.497 1.684 50 40 JDGB N#CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccc(Br)c2)c2ccccc21 2344913 PEGMABYAVKBTSF-BWAHOGKJSA-N 454.284 1.960 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc21)c1ccc(O)cc1O 9010005 SJJVYYYCYSVNAJ-WYMPLXKRSA-N 475.469 1.360 50 40 JDGB C=CCc1cccc(/C=N/NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1O 17123496 OPSZCEMAOYHKPP-LFVJCYFKSA-N 456.568 1.886 50 40 JDGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCc3ccccc32)c1O 2252933 QJKVTTMYYKTCTO-BHGWPJFGSA-N 475.469 1.273 50 40 JDGB Cc1cc(NC(=O)CSCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)no1 9779840 INFUOYUJNVIDMV-UHFFFAOYSA-N 460.560 1.014 50 40 JDGB O=C(COc1ccccc1C(=O)N/N=C/c1ccc(O)c(O)c1)N/N=C/c1ccc(O)c(O)c1 2181359 JWOZYIUEZDYFNK-DHSUVYDUSA-N 464.434 1.802 50 40 JDGB CCN(CC)Cc1c(C(=O)N/N=C/c2ccccc2Br)nnn1-c1nonc1N 8826696 ZJDSAAGTYATXIE-AWQFTUOYSA-N 462.312 1.601 50 40 JDGB Nc1nonc1N1N=N[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc([N+](=O)[O-])c1 95481745 HNECDJKNFJTEGW-CABCVRRESA-N 481.385 1.047 50 40 JDGB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)NNC(=O)c1ccc(Cl)cc1 408655022 HEJYROYMQOGFRQ-ZDUSSCGKSA-N 460.830 1.606 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 409165629 AHGQFHWDBCDPQM-WYMPLXKRSA-N 462.890 1.579 50 40 JDGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 16321241 YTGMIRPIZGFJOY-KEBDBYFISA-N 467.891 1.977 50 40 JDGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cccnc1 1529544426 FJZLCLBIQONIPU-BLTFUYFMSA-N 453.524 1.967 50 40 JDGB COc1cc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCc3ccccc32)ccc1O 9380376 RRZLAIQOSORWGZ-DHRITJCHSA-N 489.496 1.663 50 40 JDGB COc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)c3ccncc3)C2=O)cc1OC 11565460 NDSKKCSIMZWLEP-YBEGLDIGSA-N 458.521 1.761 50 40 JDGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 13148162 NDCYVHYCSVIULU-VKGABSAASA-N 482.002 1.828 50 40 JDGB CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)n(C)c1 18103684 RSYGJIXHZPYRQX-INIZCTEOSA-N 450.561 1.901 50 40 JDGB O=C(O)c1cc(S(=O)(=O)NNC(=O)c2cncn2-c2ccccc2)ccc1Br 12507027 VBMBYULCBPNEFJ-UHFFFAOYSA-N 465.285 1.956 50 40 JDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 20212177 KTLDTFMOGNXISM-WSDLNYQXSA-N 463.512 1.472 50 40 JDGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)cc2)cc1 58873841 BOMLEMYMZPMAMK-ORBAKXMTSA-N 454.483 1.458 50 40 JDGB CCC(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 107869311 JFSMBRPCSQCBOV-UXHMZNKVSA-N 451.439 1.659 50 40 JDGB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccccc1 408656535 FHBMVAAYDOJKTF-PTLNGURQSA-N 487.512 1.409 50 40 JDGB O=C(O)COc1cccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c1 408999252 QIWOKYDYGJFQRI-OIOPBYROSA-N 465.466 1.861 50 40 JDGB COc1ccccc1C(=O)NCC(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1 8881296 UISCSIYNJKLEBW-UHFFFAOYSA-N 464.272 1.192 50 40 JDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)c(OC)c1 409151067 GJRCAEJMMLUBGB-LSHDLFTRSA-N 463.288 1.671 50 40 JDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 58881974 XEBDXEPJLXWWOG-XYGFXTTESA-N 496.520 1.626 50 40 JDGB COc1cc(C(=O)N[C@@H](CCSC)C(=O)OCC(=O)/C(C#N)=C(/C)N)cc(OC)c1OC 104851128 KUKYCTYGUDPNEP-ZSMUJPCHSA-N 465.528 1.432 50 40 JDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)cc1 13805003 FGNPULXVTSLDQS-FSJBWODESA-N 453.507 1.770 50 40 JDGB Cc1ccc(CN2C[C@@H](C(=O)NNC(=O)[C@H]3CC(=O)N(Cc4ccc(C)cc4)C3)CC2=O)cc1 14139529 CIOAMLFGGZEVEA-VXKWHMMOSA-N 462.550 1.848 50 40 JDGB C[C@@H](O)[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3)C(=O)O 72332897 LBTSRSJNTNGWCF-MFNXHMHMSA-N 485.530 1.468 50 40 JDGB COc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)N1CCOCC1 409193099 BPVFNPVGFVIHNF-VXLYETTFSA-N 479.489 1.885 50 40 JDGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)NCCOC)NC(=O)[C@H]2C(=O)OC)cc1Cl 409317166 PJXYXMHPTNCQFH-MSOLQXFVSA-N 481.958 1.972 50 40 JDGB COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccnc1)C=2C(=O)Nc1ccc(C)c(C)c1 8756255 LAZYCOLGPFHURT-JZVSFUAJSA-N 487.541 1.113 50 40 JDGB O=NN(CC(=O)N/N=C\c1cccc([N+](=O)[O-])c1)CC(=O)N/N=C\c1cccc([N+](=O)[O-])c1 31623557 HXXAQBDEBJBHDG-QJUDHZBZSA-N 456.375 1.087 50 40 JDGB NS(=O)(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)cc1 38146082 RKRMYXYNEHATGY-BCFCROPCSA-N 478.162 1.616 50 40 JDGB O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1csc(N2CCOCC2)n1 9885084 RVUYFPBPWAUPPR-UHFFFAOYSA-N 490.545 1.813 50 40 JDGB CCCn1c(O)c(C(=O)NNS(=O)(=O)c2ccc(NC(=O)OC)cc2)c(=O)c2ccccc21 15986051 MGFDGYXRGGDHQH-UHFFFAOYSA-N 474.495 1.919 50 40 JDGB COc1ccc(N2C(=O)NC(=O)/C(=C/NNC(=O)c3cc(Br)ccc3O)C2=O)cc1 408530076 IOHLOZMCFIWOCX-ZROIWOOFSA-N 475.255 1.565 50 40 JDGB CN(Cc1c(C(=O)N/N=C2\C(=O)Nc3ccccc32)nnn1-c1nonc1N)C1CCCCC1 9307646 UBJHGRKDEBRDOM-UHFFFAOYSA-N 464.490 1.083 50 40 JDGB Cc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)C3=CCNC=C3)C(=O)C3=C2CC=CC3)cc1 101181539 PGFTXVNWBFOIRX-OOAXWGSJSA-N 450.520 1.902 50 40 JDGB Cc1ccc(S(=O)(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 1384018 APWRYMPPVNTYGB-UHFFFAOYSA-N 451.570 1.714 50 40 JDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)cc1OC 9499763 IPROIZYAEMPJDY-WYMPLXKRSA-N 483.533 1.778 50 40 JDGB CCOC(=O)C(=O)NCc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2OC)o1 9846986 GUKDQVNQAPNTJV-LSHDLFTRSA-N 450.835 1.210 50 40 JDGB C=CCNC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408874542 DKHOPUSNERKPKD-VROXFSQNSA-N 466.281 1.594 50 40 JDGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)NCC(C)C)NC(=O)[C@H]2C(=O)OC)cc1 409325849 BWOJIGQFGWGAFL-MSOLQXFVSA-N 459.524 1.716 50 40 JDGB COc1cc(C(=O)NCC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc(OC)c1OC 3144682 CUSYYFSDAMEVNR-UHFFFAOYSA-N 491.298 1.677 50 40 JDGB COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccs1)C=2C(=O)Nc1ccc(OC)cc1 3764682 RRAGSKZXPTWQCU-FJJYYWMZSA-N 494.554 1.171 50 40 JDGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 6073834 KRDMRBKCNSMAQL-UHFFFAOYSA-N 480.568 1.443 50 40 JDGB COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)cc1OC 19859319 GDXCMWFLLSJGRN-QFIPXVFZSA-N 482.537 1.733 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccc(C)cc1 409263942 JOOPGYURBKMXEK-KXQYEYADSA-N 468.510 1.766 50 40 JDGB CN(Cc1c(C(=O)N/N=C/c2ccc(O)cc2O)nnn1-c1nonc1N)C1CCCCC1 1893448 JFLJLTAKGOBOLC-LSHDLFTRSA-N 455.479 1.172 50 40 JDGB CCOC(=O)C1=C2OC(N)=C(C#N)C(C#N)=C2C(=O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(OC)cc1 2258296 JQNDTCFOMPKYKP-WMZOPIPTSA-N 463.446 1.902 50 40 JDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@H](NC(N)=O)c2ccccc2Cl)c1 8848708 QSGLWGZHRCAQHP-SFHVURJKSA-N 495.989 1.931 50 40 JDGB C[C@H]1C[C@H]1C(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 23187901 OBLSNEDHBUWOHA-YVEFUNNKSA-N 464.931 1.674 50 40 JDGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](CO)C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 100770211 FUBBKKUQLPZKIW-DFDIVYJMSA-N 471.503 1.080 50 40 JDGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccccn1 408954855 ZVTQUWODQJJAGF-FQEVSTJZSA-N 453.524 1.967 50 40 JDGB CCn1nc(C(=O)NNC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)c2ccccc2c1=O 12800694 WRBDVUROFRPTLQ-LJQANCHMSA-N 485.566 1.489 50 40 JDGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 58882070 LXJFKADRKUPEKG-FOGHPNEFSA-N 468.510 1.848 50 40 JDGB Cc1nnn(C23C[C@H]4C[C@@H](CC(C(=O)NN[C@H]5CC(=O)N(c6cccc(C)c6C)C5=O)(C4)C2)C3)n1 102437069 BCMSYQAJNURIKK-FXCWXOCZSA-N 477.569 1.847 50 40 JDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)cc(OC)c1O 1875385 NILSOAWSHMLZJP-BHGWPJFGSA-N 499.532 1.484 50 40 JDGB O=C(CCNC(=O)c1ccc(Cl)cc1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 9314367 RLKABSZYAKJZSK-UHFFFAOYSA-N 478.958 1.706 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)c3cccc(Cl)c3)CC2)cc1 9590550 YZOIIONRLYWWLD-UHFFFAOYSA-N 492.985 1.723 50 40 JDGB O=C(N[C@@H](C(=O)N/N=C/c1ccc(O)cc1O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 13785341 GULJHSFZGTYVKV-RNRKLAHPSA-N 457.446 1.956 50 40 JDGB O=C(NNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(-n2cnnn2)cc1 23787509 AFYZVNYQIXWYLP-UHFFFAOYSA-N 460.420 1.754 50 40 JDGB NS(=O)(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 245230432 RKRMYXYNEHATGY-DZDPUUJWSA-N 478.162 1.616 50 40 JDGB COC(=O)C1=c2s/c(=C\c3ccccc3F)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1F 988959 SFDWCWXTTXPWTE-BHEJFATLSA-N 451.454 1.789 50 40 JDGB C/C(N)=C(/C#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 8826011 QQXQDDFTCLNMRN-LTGZKZEYSA-N 486.525 1.819 50 40 JDGB C[C@H](NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O)c1ccccc1 408655070 CPPOXCWCEONPJE-IRJMCIBISA-N 453.322 1.873 50 40 JDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 408875997 MAKJLWSDBHFJNE-SSDVNMTOSA-N 483.930 1.817 50 40 JDGB C[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 3317649 QQJYZVGKHBTNTK-LLVKDONJSA-N 484.519 1.743 50 40 JDGB Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1C 9317368 DAJIVRRAQSZOPM-UHFFFAOYSA-N 485.566 1.724 50 40 JDGB O=C(O)c1cccc(S(=O)(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c1 12898372 XXHQXMZQYZREKX-UHFFFAOYSA-N 478.490 1.710 50 40 JDGB Cc1ccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)o1 19850492 YRCYOPMKWDHNDF-NDENLUEZSA-N 469.361 1.807 50 40 JDGB N#C/C(C(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1)=C1\NC(=O)c2ccccc2N1 105174006 IBZBGQJOAAHCQU-FCDQGJHFSA-N 462.485 1.542 50 40 JDGB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 9003818 LLOXWYUYKBVEIB-ASNKMWSDSA-N 480.502 1.706 50 40 JDGB CCc1ccc(OCC(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1 12538215 VTKAGANTFFZJAF-UHFFFAOYSA-N 474.583 1.940 50 40 JDGB CCOc1ccccc1N1C[C@H](C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1=O 15981581 BUFJHNOUKASDMD-OAHLLOKOSA-N 457.483 1.925 50 40 JDGB COc1ccccc1N(CC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21)S(C)(=O)=O 27570194 IDIYRVVDGPAUFL-UHFFFAOYSA-N 481.328 1.696 50 40 JDGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(C)(=O)=O)cc1 28215045 YTQGCZBPOVMRCS-PTZPRWATSA-N 490.582 1.903 50 40 JDGB COc1cc(OC)c(OC)cc1/C=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 36001069 UZRXEIWFAFVRGK-IWIPYMOSSA-N 490.582 1.477 50 40 JDGB CCC(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)cc1 408534071 LBHHSJBPIZMNBY-FZJZADEZSA-N 451.439 1.659 50 40 JDGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1)S(C)(=O)=O 408924302 GKKZMDBCQJXEAL-YDZHTSKRSA-N 476.555 1.515 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C(F)(F)F 409172668 FKGMRLJMLAUDEV-RPPGKUMJSA-N 466.416 1.936 50 40 JDGB COc1cccc(-c2c(C(=O)N/N=C/c3ccc(OC)cc3OC)nnn2-c2nonc2N)c1 2446318 VSFDKRDYBGGMCN-FOKLQQMPSA-N 464.442 1.689 50 40 JDGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccc(OC)c2)ccc1O 9329140 LCTOHCSLOJYRPW-FOKLQQMPSA-N 464.442 1.776 50 40 JDGB COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1 12911064 ZWJKGMXVKODEBT-UHFFFAOYSA-N 483.930 1.453 50 40 JDGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c(N3C[C@@H](C)O[C@H](C)C3)nc12 13659636 LHOKHXFDQNQIHG-GNAGOZHLSA-N 451.527 1.819 50 40 JDGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c(N3C[C@@H](C)O[C@H](C)C3)nc12 13659639 LHOKHXFDQNQIHG-HCJNMPFLSA-N 451.527 1.819 50 40 JDGB C[C@@H]1CN2CCO[Si](CCSCC[Si]34OCCN(CCO3)C[C@@H](C)O4)(OCC2)O1 195804462 FSCXLTOPNPBUCN-QZTJIDSGSA-N 464.733 1.132 50 40 JDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 409185353 XWBBSJOTUJJNEJ-WSDLNYQXSA-N 479.511 1.172 50 40 JDGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 9493485 QSGFSLPEZSKNKY-UHFFFAOYSA-N 460.556 1.385 50 40 JDGB Cc1ccccc1N(CC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21)S(C)(=O)=O 19954784 KMBZHZXSLDEPFJ-UHFFFAOYSA-N 465.329 1.996 50 40 JDGB COC(=O)c1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)C=3C#N)cc1 39400742 CDNCBBZPUJPFLJ-IOAQBMTJSA-N 498.520 1.434 50 40 JDGB Cn1c(SCC(=O)NNC(=O)COc2ccc(Br)cc2)nnc1C(F)(F)F 9128555 YOWPGFNRQFVLNP-UHFFFAOYSA-N 468.255 1.915 50 40 JDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1 58925013 AHWGBFURJHPIDG-SRZZPIQSSA-N 453.904 1.808 50 40 JDGB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)NNC(=O)c1ccccc1Cl 408658788 RJANTDIVAJAPRR-ZDUSSCGKSA-N 493.303 1.491 50 40 JDGB Cc1ccccc1-n1nnnc1SCC(=O)NNC(=O)CNC(=O)Cc1cccc2ccccc12 9317522 QPQPLOCTLCYKNH-UHFFFAOYSA-N 489.561 1.722 50 40 JDGB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NNC(=O)[C@H]1COc2ccccc2O1 15795432 UDEFOHZVGLVLFM-OAQYLSRUSA-N 473.551 1.781 50 40 JDGB CCOc1cc(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc(OCC)c1OCC 21874891 MFABQMMZFBLMOB-QFIPXVFZSA-N 462.503 1.364 50 40 JDGB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)NNC(=O)c1ccc(Cl)cc1 408654046 JFQRZONDZOPSAC-CQSZACIVSA-N 493.303 1.491 50 40 JDGB O=C(Cc1nnc(NC(=O)c2cc(O)nc(O)n2)s1)N/N=C/c1cc(Br)ccc1O 409332149 KERBLGKIKIWXHD-NGYBGAFCSA-N 494.287 1.153 50 40 JDGB Cc1ccccc1-n1nnnc1SCC(=O)NNC(=O)C[C@@H]1Sc2ccccc2NC1=O 9632028 BNAGJGJRGYNOOX-INIZCTEOSA-N 469.552 1.713 50 40 JDGB CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 16692794 OKOYLBIFASPPKD-LPYMAVHISA-N 462.528 1.823 50 40 JDGB Cc1cccc(C)c1N1C(=O)C(=O)[C@H](c2nc3ccccc3s2)/C(=N/NC(=O)NN)C1=O 102961902 RISLEAPECJYVQI-PKNMJUOBSA-N 450.480 1.668 50 40 JDGB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1 12993354 GSEZQAGFBZDILU-OAHLLOKOSA-N 462.528 1.155 50 40 JDGB O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)c2)CCN1 13019424 PBTUBAVLYYFRDY-UHFFFAOYSA-N 474.583 1.175 50 40 JDGB CCOc1c(Br)cc(C(=O)NNC(=O)c2cccc(-n3cnnn3)c2)cc1OC 13134861 SFJYJTWDBIQEQH-UHFFFAOYSA-N 461.276 1.907 50 40 JDGB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)NNC(=O)c1ccccc1Cl 408673313 ZURBAYFGUJSAAD-LBPRGKRZSA-N 460.830 1.606 50 40 JDGB CC(=O)OC[C@H]1O[C@@H](Cl)[C@@H](OC(=O)C(Cl)(Cl)Cl)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 5004709 QLOCGZWRSGBAGP-LDMBFOFVSA-N 470.085 1.659 50 40 JDGB O=C(CCS(=O)(=O)c1ccccc1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9442542 QJHVOMWQYZOYSI-UHFFFAOYSA-N 465.553 1.096 50 40 JDGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCOCC2)cc1Cl 409155960 JLKFTLNTASXATG-ZMOGYAJESA-N 458.902 1.975 50 40 JDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C)c1cc(C)sc1C 9496771 GOHAVQLRGZCHRG-AWQFTUOYSA-N 473.548 1.486 50 40 JDGB CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2cccs2)ccc1F 13985380 KZQPQJIZQQWMHX-UHFFFAOYSA-N 457.505 1.536 50 40 JDGB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCCOC)cc1 408604904 JCDFVRGDIPLVJZ-DHRITJCHSA-N 476.917 1.969 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccccc1 409267935 XALURKKVBCILMA-YMSFFTPVSA-N 468.510 1.848 50 40 JDGB CCOC(=O)C1=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(OC)cc1 2196926 MJVDVUXZTWTADF-DMMSUNFISA-N 489.553 1.918 50 40 JDGB Cn1c(=O)[nH]c(=O)c2c1nc(SCC(=O)N/N=C/c1ccc(O)cc1O)n2CCc1ccccc1 8642804 SOZMBJSRMOISNX-WYMPLXKRSA-N 494.533 1.320 50 40 JDGB CCOc1ccc(NC(=S)NNC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)cc1 9128512 WSECQNMKVKRECL-UHFFFAOYSA-N 488.566 1.963 50 40 JDGB CCn1nc(C(=O)NNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)c(C)c2)C(C)C)c2ccccc2c1=O 12971800 ZJAZYVKQQJQVJM-FQEVSTJZSA-N 499.593 1.797 50 40 JDGB CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1CNc1ccccc1C(N)=O)=C\c1ccco1 13788351 MMXGYYFDXXXEED-ZKNISXQMSA-N 476.457 1.356 50 40 JDGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408767523 MALKPUUMMXADDA-YTWQSXOVSA-N 468.919 1.157 50 40 JDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c1-c1ccc([N+](=O)[O-])cc1 1901041 VBKQKJKMIJKVIQ-ODCIPOBUSA-N 463.370 1.300 50 40 JDGB CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2cccs2)ccc1C 3434108 JQPGQTVTQIVXJQ-UHFFFAOYSA-N 453.542 1.705 50 40 JDGB CCCCCn1nc(C(=O)NNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccccc2c1=O 9283052 SQQTYCJWCUBCNM-UHFFFAOYSA-N 472.523 1.981 50 40 JDGB Cn1c(=O)c2ccc(C(=O)NNC(=O)COc3ccc(OCc4ccccc4)cc3)nc2n(C)c1=O 13008339 ZODPAWOVMZNYBJ-UHFFFAOYSA-N 489.488 1.051 50 40 JDGB CCN(/C(=N\P(=O)(N1CCOCC1)N1CCOCC1)N1CCOCC1)c1ccc(OC)cc1 100857172 LVXSWNVOSJJFHV-FCQUAONHSA-N 481.534 1.982 50 40 JDGB COc1cc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc(OC)c1OC 408721079 KFEYMHWUKBHJCL-AUEPDCJTSA-N 451.443 1.845 50 40 JDGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(C)(=O)=O)cc1 28213350 KUWCEERAWNALQZ-YDZHTSKRSA-N 476.555 1.515 50 40 JDGB O=C(COC(=O)CCCC(=O)NNC(=O)c1ccccc1Cl)NNC(=O)c1ccc(Cl)cc1 408646442 PEQOSOJUAVAANN-UHFFFAOYSA-N 495.319 1.929 50 40 JDGB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)NNC(=O)c1ccc(Cl)cc1 13068214 HVMPWSRJBKTWAP-CQSZACIVSA-N 473.869 1.469 50 40 JDGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(CNC(=O)NC(C)C)cc1 24290945 HRWFUKJGFIZFOZ-UHFFFAOYSA-N 460.560 1.571 50 40 JDGB CCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc1 408659486 JVHDPFCGTNATKD-YWALVYIISA-N 497.331 1.811 50 40 JDGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 409254059 HLMXIPWOEIHYAT-JVWAILMASA-N 466.538 1.814 50 40 JDGB C[C@H]1C[C@H]1C(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 23187776 DWVDESAGLSJIJW-YVEFUNNKSA-N 464.931 1.674 50 40 JDGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1ccccc1 408529738 DAUQAEWLYBHPCM-DGURAOSJSA-N 476.230 1.906 50 40 JDGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(F)cc2)o1)C(=O)Nc1ccccc1 408802441 FCFMTZYEZGBMQG-MXAYSNPKSA-N 451.414 1.762 50 40 JDGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(N)=O)c(OCC)c1 408914186 WBOGPFHQQHYUOR-MJDKSPQASA-N 456.499 1.757 50 40 JDGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2ccc(OCC(N)=O)cc2)c1C#N 409209390 GOSXZXFFBUIBDW-GYRAYZOKSA-N 490.314 1.564 50 40 JDGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(Br)s2)cc1 9912498 AGLWUKRLICMCPF-UHFFFAOYSA-N 489.373 1.551 50 40 JDGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)NCc1ccco1 408611378 QTOFOMFBPBXZRF-AUEPDCJTSA-N 465.304 1.714 50 40 JDGB COc1cccc(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1OC 12947701 BYYNVNPRJAQEDW-UHFFFAOYSA-N 461.540 1.882 50 40 JDGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)c1C 31480059 JKGVAESABGCNNI-GFCCVEGCSA-N 470.345 1.942 50 40 JDGB Cc1cc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)no1 226515234 VSVRKMIEBXLUGO-DUEABSLXSA-N 461.110 1.699 50 40 JDGB CCOc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1OCC(=O)N1CCOCC1 409266519 XQDBNMMXVVJREL-CSWGWEJPSA-N 494.548 1.826 50 40 JDGB CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCOC)C1 9075630 YKLKITOMMTZWJW-NAVNFMRLSA-N 467.526 1.452 50 40 JDGB CCCn1c(=O)c2ccccc2n2c(SCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)nnc12 9395662 ITJJKPCEPHLZPL-UHFFFAOYSA-N 481.494 1.916 50 40 JDGB COc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccc3c(c2)OCCO3)c(OC)c1 12629200 OGHRDVQMEOWZAC-DHRITJCHSA-N 456.455 1.934 50 40 JDGB COc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1NC(C)=O 13073652 FIZILFVEUOVJLF-UHFFFAOYSA-N 499.549 1.713 50 40 JDGB Cc1cc(NC(=O)CN2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)no1 17527475 VSVRKMIEBXLUGO-ACJJXGBOSA-N 461.110 1.699 50 40 JDGB CN(C)S(=O)(=O)c1cccc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)c1 102314259 VNVLZFZALCXXNS-MRXNPFEDSA-N 450.904 1.157 50 40 JDGB COC(=O)c1ccc(Cl)cc1N/C=C1/C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 103516372 LPWWFJKOEWSVRT-BPKVKKHESA-N 463.899 1.818 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)ccc1OCC(=O)N1CCOCC1 409165829 AKUSYBIGKWTWHF-WGOQTCKBSA-N 482.537 1.974 50 40 JDGB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNCC(=O)Nc3cc(F)ccc3F)C2)cc1 9562707 ZFFCKTJQBMDDCR-OAHLLOKOSA-N 466.510 1.933 50 40 JDGB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 12800437 GEEANLATWMUBGZ-OAHLLOKOSA-N 498.030 1.946 50 40 JDGB COc1ccccc1/C=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 19850035 QCQLRBCDQSAWLA-HMAPJEAMSA-N 495.399 1.914 50 40 JDGB O=C1CCc2cc(S(=O)(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)ccc2N1 25741384 FEBKDCUUCMKAQZ-UHFFFAOYSA-N 492.579 1.369 50 40 JDGB CC(C)/C=C(\C#N)C(=O)N1CCCCOC[C@@H](O)[C@H](O)[C@@H](O)CN(C(=O)c2ccc(F)cc2)CC1 643586512 KBDQXMKBRIBRMO-GXRZMQEMSA-N 491.560 1.096 50 40 JDGB COc1cc(/C=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc([N+](=O)[O-])c1O 36020513 HISVOYGSNKUCIJ-LSFURLLWSA-N 462.415 1.215 50 40 JDGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1)NNC(=O)c1ccccc1 408657203 GUYRDSZZVRDAFB-LRGYGIHKSA-N 459.458 1.616 50 40 JDGB CCOc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)ccc1OCC(=O)N1CCOCC1 409020793 TYPOIPOJGDLGDS-QQXSKIMKSA-N 484.553 1.918 50 40 JDGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)cc2OC)c1 409262457 DXYGDGLZQKQLHI-KXQYEYADSA-N 484.509 1.467 50 40 JDGB CS(=O)(=O)O[C@@H]1C[C@H]2C3C1[C@H](OS(C)(=O)=O)C[C@H]3[C@@H](Br)[C@H]2Br 104285574 XMTIICQEBOGUML-YFIRXGHWSA-N 482.212 1.489 50 40 JDGB CC(C)[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408667551 UIJOVGZGTKLKAU-HLQCWHFUSA-N 475.929 1.700 50 40 JDGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc(I)c1O 409163493 SIPKXANYBDEGQF-KEBDBYFISA-N 453.236 1.772 50 40 JDGB NC(=O)c1ccccc1NCc1c(C(=O)N/N=C/c2ccccc2Cl)nnn1-c1nonc1N 9308886 HSDKMQDTWMNLOX-YCPBAFNGSA-N 480.876 1.361 50 40 JDGB CCn1nc(C(=O)NNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)c2ccccc2c1=O 12800690 WRBDVUROFRPTLQ-IBGZPJMESA-N 485.566 1.489 50 40 JDGB CN(C)Cc1c(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)nnn1-c1nonc1N 13514013 WLAOIGXFBZMMCT-WYMPLXKRSA-N 461.486 1.637 50 40 JDGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)NC[C@H]3CCCO3)NC(=O)[C@H]2C(=O)OC)cc1 409334929 NNOVQKSFMXMEOW-LZQZEXGQSA-N 487.534 1.239 50 40 JDGB O=C(NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Br)cc1 3343520 DHUOWSHMQZXOKW-UHFFFAOYSA-N 486.319 1.684 50 40 JDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)c1cccc(C(F)(F)F)c1 9434937 GKONPGHBRGJNOP-YSURURNPSA-N 472.445 1.486 50 40 JDGB O=C(CNC(=O)c1ccccc1I)NNC(=O)[C@@H]1COc2ccccc2O1 26976834 NBEYPVPLKQFYOB-HNNXBMFYSA-N 481.246 1.008 50 40 JDGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccccc1C 408601421 AWVQNAUKKGOGTH-AFUMVMLFSA-N 456.499 1.624 50 40 JDGB O=C1N[C@@H](Cc2cc(I)c(O)c(I)c2)C(=O)O1 2060993563 FWWRMLVEBFHQHV-ZETCQYMHSA-N 458.977 1.779 50 40 JDGB COc1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCCC1 9721744 IQBMHFIHQRZPBY-GOSISDBHSA-N 461.496 1.081 50 40 JDGB Cc1cc(C(=O)NNC(=O)COCC(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] 9850413 XTZJHHHXJKETKA-UHFFFAOYSA-N 489.916 1.683 50 40 JDGB C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2nn(CCCCC)c(=O)c3ccccc23)cc1 26070382 OWNSPXSRSONPJR-UHFFFAOYSA-N 495.561 1.573 50 40 JDGB C[C@@H](Cn1cc(Br)cn1)C(=O)NNC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2 101114443 XNWLMWFLKFXRKU-HQIQFYROSA-N 477.367 1.411 50 40 JDGB COc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl 408684619 PKCHOLHYLOUJRN-DRWMCFHUSA-N 455.294 1.643 50 40 JDGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)NCCOC)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409317173 PJXYXMHPTNCQFH-QZTJIDSGSA-N 481.958 1.972 50 40 JDGB O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NNC(=O)c1ccc(Br)cc1 3294148 JUTHOEDAUBYNIX-UHFFFAOYSA-N 461.228 1.805 50 40 JDGB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 9913332 YPNFKTOPXBXTRA-GOSISDBHSA-N 467.931 1.972 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)ccc1OCC(=O)N1CCOCC1 409164160 DHSZOMVLMSLCOK-MFKUBSTISA-N 484.509 1.420 50 40 JDGB COc1cc(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)cc(OC)c1OC 26955011 JLNVSQMQDLPZMT-QHCPKHFHSA-N 470.482 1.249 50 40 JDGB CCOC(=O)c1ccc(N2C(=O)C[C@@H](NNC(=O)c3cncc(Br)c3)C2=O)cc1 95101412 YEBMUZAUAZZPBV-OAHLLOKOSA-N 461.272 1.587 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)N1CCOCC1 409253999 HHAGNBFETAPCHL-JVWAILMASA-N 482.537 1.398 50 40 JDGB Cn1nc(C(=O)NNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c2ccccc2c1=O 22634636 OVSYTJPPSZJWEL-UHFFFAOYSA-N 469.448 1.525 50 40 JDGB COc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OCC(=O)N1CCOCC1 409008790 HZBIIMJNNZLBJZ-QRVIBDJDSA-N 472.454 1.370 50 40 JDGB CCn1nc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c2ccccc2c1=O 8937817 SRGKHXIQJFQIED-UHFFFAOYSA-N 489.579 1.340 50 40 JDGB CS(=O)(=O)c1ncc(Br)c(C(=O)NNC(=O)c2ccccc2Br)n1 28289357 HNRLMQMLICGJDU-UHFFFAOYSA-N 478.122 1.480 50 40 JDGB O=C(NNC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1ccc(Br)cc1 408681087 FAEKAUKNZFUDHU-HKLHZYFVSA-N 458.106 1.781 50 40 JDGB COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccs1)C=2C(=O)Nc1ccc(C)cc1 3764680 IIKMQABIZDZUNE-CFINBHSISA-N 478.555 1.471 50 40 JDGB Cn1c(=O)c2c(nc3n(CCCC(=O)N/N=C/c4ccc(O)cc4)c(-c4ccccc4)cn23)n(C)c1=O 15108272 MUMZQWUSFOXGIE-JFLMPSFJSA-N 499.531 1.990 50 40 JDGB COc1ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1OC 15902580 UZDQHTPOWBQRPZ-UHFFFAOYSA-N 471.919 1.448 50 40 JDGB Cc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1[N+](=O)[O-] 408673325 ZZUGAJPLNXEAOL-CQSZACIVSA-N 474.857 1.914 50 40 JDGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC 409027292 FYILWFLEMSSAEZ-RGVLZGJSSA-N 480.455 1.665 50 40 JDGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 409168231 LRZRHGWNHILECV-RPPGKUMJSA-N 466.416 1.936 50 40 JDGB COc1cc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCCN1CCOCC1 16037495 CQAMNIXNQZPGGB-ZJSXRUAMSA-N 474.565 1.761 50 40 JDGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)cc1OC 19690934 WPMLQHGHAASUAK-OAQYLSRUSA-N 452.511 1.724 50 40 JDGB N#CC1=C(N)n2c(s/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=C(C#N)[C@@H]1c1ccc([N+](=O)[O-])cc1 3169406 PDJPRLYVVSNLDI-PMEBHBLGSA-N 472.442 1.678 50 40 JDGB O=C(Cc1ccccc1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 12860789 YUNFYUHREDXEGI-UHFFFAOYSA-N 467.503 1.898 50 40 JDGB COc1cc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=O)C(C#N)=C3C)cc2)nc(OC)n1 16694106 MSCKBOTUROJWOG-GDNBJRDFSA-N 470.467 1.087 50 40 JDGB C[C@H]1C[C@@H]1C(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 23187897 OBLSNEDHBUWOHA-SJCJKPOMSA-N 464.931 1.674 50 40 JDGB CC(=O)Nc1ccc(/C=N\NC(=O)COCC(=O)N/N=C\c2ccc(NC(C)=O)cc2)cc1 31723616 OUSCFZRABNGSJB-CBSQCECLSA-N 452.471 1.220 50 40 JDGB COc1cccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1OCC(=O)Nc1ccccc1C 408606673 ABYYLFSCXDJNAX-WUERFNLMSA-N 468.510 1.766 50 40 JDGB CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)N1CCOCC1 409013922 ONDAKLHZCQTFMT-UCQKPKSFSA-N 456.455 1.995 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)cc1 9882934 MHHKSYCKZHOJQA-HXUWFJFHSA-N 498.561 1.397 50 40 JDGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 25484703 BFKGZEHBIRLLGC-AWEZNQCLSA-N 481.502 1.222 50 40 JDGB COc1ccccc1OCC(=O)N/N=C\c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 409010940 GITYZZFFUQDCNE-OYKKKHCWSA-N 457.483 1.471 50 40 JDGB O=C(CCCn1c(=O)oc2ccccc21)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9438859 KLDXZNCCPKSFHL-UHFFFAOYSA-N 472.523 1.620 50 40 JDGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccccc1N/C=C1\C(=O)N(C)C(=O)C(C#N)=C1C 16693971 FCPXCZQWSANAGB-WHYMJUELSA-N 456.462 1.956 50 40 JDGB COc1cc(/C=N\NC(=O)c2ccccc2)cc(I)c1OCC(N)=O 409273345 XMAAGQGHDTXXBO-UKWGHVSLSA-N 453.236 1.928 50 40 JDGB COc1cc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)cc(OC)c1OC 33893566 VHDFGNBHONQZKU-PMZVSURPSA-N 499.532 1.397 50 40 JDGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1)S(C)(=O)=O 409148070 XEMQTWCRWHHDFB-NFCNUSAFSA-N 488.566 1.520 50 40 JDGB O=C(O)CC[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 2284850 NRXFVCDLBRGEDJ-YYXNKIQESA-N 453.083 1.082 50 40 JDGB Cc1ccc(CN2C[C@@H](C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1 9506879 KKYSVHFDTWNDJH-FQEVSTJZSA-N 484.578 1.589 50 40 JDGB Cc1ccc(S(=O)(=O)CCC(=O)NNC(=O)CCN2CCN(Cc3ccccc3)CC2)cc1 22785612 YLCNMHWOXPMDRV-UHFFFAOYSA-N 472.611 1.514 50 40 JDGB CS(=O)(=O)O[C@H]1C[C@H]2C3C1[C@H](OS(C)(=O)=O)C[C@@H]3[C@H](Br)[C@@H]2Br 104285588 XMTIICQEBOGUML-QJENEGIGSA-N 482.212 1.489 50 40 JDGB CCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1 408651776 DVRWGWAZVFLFBS-SFHVURJKSA-N 467.478 1.611 50 40 JDGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)N1CCOCC1 9233240 SFRKAALIICDCGF-MFKUBSTISA-N 468.510 1.720 50 40 JDGB COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408677386 BVNNACBLWIOFEA-QAKAVFCJSA-N 452.257 1.526 50 40 JDGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(OC)c1 408921965 CWMSSBLSAOENSO-ZGRCRBMVSA-N 497.464 1.933 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1 9317957 XKICTCSMIIPLKI-INIZCTEOSA-N 464.569 1.129 50 40 JDGB CCN(CC)C(=O)CNS(=O)(=O)c1ccccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 95481763 VXVPRHUUWFFDBT-FYJGNVAPSA-N 461.500 1.505 50 40 JDGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1OC 2085037 DQEBYTNQHOBOTC-CIAFOILYSA-N 465.484 1.765 50 40 JDGB CCN(CC)c1ccc2cc(C(=O)NCCNC(=O)CI)c(=O)oc2c1 2585820 OGQHCUYSWDOIMP-UHFFFAOYSA-N 471.295 1.920 50 40 JDGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)C(=O)c3c(C)nn(C)c3C)cc2)cc1 8824816 SJOSPUWNJOAXKU-UHFFFAOYSA-N 497.577 1.810 50 40 JDGB CCCCCn1nc(C(=O)NNC(=O)Cn2c(S)nnc2CCC)c2ccccc2c1=O 17398073 BAFCTBPAICZPJS-UHFFFAOYSA-N 457.560 1.881 50 40 JDGB N#C/C(=C\c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 2449658 DHJKXAXFYUSTGE-WSYSLRRZSA-N 468.466 1.836 50 40 JDGB Cc1ccc(C(=O)NNC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)c(C)c1 32969044 SCRMZGBRXOJGBU-HXUWFJFHSA-N 461.540 1.839 50 40 JDGB CC(=O)NNC(=O)COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 89962751 NAONPNZBQBQXNJ-UHFFFAOYSA-N 453.904 1.485 50 40 JDGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(N2CCOCC2)o1)OCc1ccccc1 408988680 IVCKSYDBIHCTTP-MOYYISEASA-N 466.498 1.827 50 40 JDGB O=C(Cn1c(=O)sc2ccccc21)N/N=C/c1cccc(OC(=O)C[C@H]2SC(=O)NC2=O)c1 32598142 ZTUAIDUFUCUBSZ-YJCKXXIQSA-N 484.515 1.860 50 40 JDGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408533529 JZVZYUTVQJDOFS-YWRKXVMXSA-N 453.499 1.880 50 40 JDGB Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)COc2ccc(Br)cc2)cc1C 2621492 XRRDRRDXWWUETI-UHFFFAOYSA-N 470.345 1.571 50 40 JDGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1 12946098 HEWRCUVQAKHMRD-OAHLLOKOSA-N 474.514 1.713 50 40 JDGB