smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCN1C(=O)/C(=C/c2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)SC1=S 2367394 QSQKDAGMXVAWBL-PTNGSMBKSA-N 457.581 1.926 10 40 JDCB COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)CC2)cc1 23475227 BERKKCODZTXLRA-DEOSSOPVSA-N 466.494 1.540 10 40 JDCB COc1cc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)ncn1 95471071 MWHSTXAHDJQULT-ATVHPVEESA-N 494.489 1.865 10 40 JDCB NC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 409223381 FELZCVVFDFGVLV-RIYZIHGNSA-N 460.240 1.685 10 40 JDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3S(=O)(=O)O 5812237 ZKBYWMRIHIDIJE-GTJPDFRWSA-N 462.432 1.077 10 40 JDCB COc1ccc(/C=c2\sc3n(c2=O)CN(c2cc(OC)c(OC)c(OC)c2)CN=3)cc1OC 2322103 XAQMXEIGKMUFSV-UKWGHVSLSA-N 471.535 1.836 10 40 JDCB CN(C)c1ccc(CNC(=O)C[C@H]2C(=O)Nc3c2c(=O)n(C)c(=O)n3Cc2ccccc2)cc1 102166445 OHFKWZPTSSUBSW-LJQANCHMSA-N 461.522 1.404 10 40 JDCB COCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 20566971 LYPFVUYZWXGCQE-LZISPXOZSA-N 465.506 1.324 10 40 JDCB COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 22734205 ADENVIOOZAQKNO-HSZRJFAPSA-N 481.597 1.740 10 40 JDCB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N/C=C3\C(=O)NC(=O)N(CCc4ccccc4)C3=O)cc21 408534304 QFQIVNQYKYSNTC-WYMLVPIESA-N 464.438 1.402 10 40 JDCB COc1c2c(cc3c1[C@H](CN/C=C1/C(=O)NC(=O)N(CCc4ccccc4)C1=O)N(C)CC3)OCO2 20410733 YUEJVCDFIXZBTI-LJLZWOEMSA-N 492.532 1.748 10 40 JDCB biogenic Nc1ccc(N([C@@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2ccc(Br)cc2)cc1 575422628 NUVPWYNVVPSANS-CVEARBPZSA-N 461.359 1.385 10 40 JDCB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1C 13616838 ISUUCKRLNWRIQW-UHFFFAOYSA-N 454.395 1.679 10 40 JDCB COc1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 9096662 BJFZDKMIDWIELP-OAQYLSRUSA-N 481.509 1.283 10 40 JDCB CCN(CC)CCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(OC)cc2)CC1 9829646 PKUFYWVYBNMFOH-QFIPXVFZSA-N 471.602 1.726 10 40 JDCB CN1CCN([C@H](CNC(=O)C(=O)NCCc2ccccc2)c2ccc3c(c2)CCCN3C)CC1 22735227 BOCBUTXFOACUOC-RUZDIDTESA-N 463.626 1.833 10 40 JDCB O=C1[C@H]2[C@@H](C(=O)N1C[C@@H]1CCCO1)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(F)cc21 15972818 IPWBPXUQKXECND-WRNJSPSRSA-N 481.480 1.379 10 40 JDCB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 22734568 QHXRFPPNIPWCBF-DEOSSOPVSA-N 478.597 1.681 10 40 JDCB O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1 59422469 CWGQGKHVZUGCOB-UHFFFAOYSA-N 453.465 1.636 10 40 JDCB COCCCN1C(=O)[C@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 103517449 PYERTANNXKMVBR-JVNPVLLESA-N 485.924 1.751 10 40 JDCB O=C1NC(=O)N(c2ccc(I)cc2)C(=O)/C1=C/NCCCn1ccnc1 2240845 PHDHXHZPQCVJGZ-GXDHUFHOSA-N 465.251 1.634 10 40 JDCB CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2C[C@H](N)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1ccccc1C3=O 253386556 XDXDZDZNSLXDNA-ZBKBALEBSA-N 497.500 1.020 10 40 JDCB COc1ccc(N2CCN(C(=O)Cn3cnc4c(cnn4-c4ccc(OC)cc4)c3=O)CC2)cc1 1889298690 MPFQCXPCSIONLM-UHFFFAOYSA-N 474.521 1.948 10 40 JDCB CN1CCN(N/C=C2\C(=O)N(c3ccc(I)cc3)C(=O)N=C2O)CC1 2393405 QGUHEKCABAOHER-RAXLEYEMSA-N 455.256 1.350 10 40 JDCB O=C(O)COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2n[nH]c(=O)c3ccccc23)C1=O 28628994 CHYVMTFSXKCKMD-DHDCSXOGSA-N 482.499 1.933 10 40 JDCB CN1CCN(c2ccc(CNS(=O)(=O)c3nnc(NC(=O)C(C)(C)C)s3)cc2)CC1 225677108 BIQYWFJUEKMJSS-UHFFFAOYSA-N 452.606 1.753 10 40 JDCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(N)=O 409224118 KNYYGHMADNSFES-NTUHNPAUSA-N 474.267 1.988 10 40 JDCB COCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 13572494 CSNLNONVRFILBH-MDTICMOCSA-N 451.479 1.097 10 40 JDCB S=C(NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1)Nc1ccc(Cl)cc1 9762058 WVEJMPLCTSRJIF-UHFFFAOYSA-N 450.956 1.512 10 40 JDCB COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccc(C)c(C)c3)CC2)cc1 20802890 OOHRVANCIRYILP-XMMPIXPASA-N 493.608 1.790 10 40 JDCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(N)=O)c(OC)c3)C2=O)cc1 409219221 OMIFSJFGZLSRAZ-VGOFMYFVSA-N 459.842 1.888 10 40 JDCB CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OS(C)(=O)=O 20205941 IRCDAGDRWZYGBT-XQVAPKGHSA-N 472.526 1.045 10 40 JDCB CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)N3CCOCC3)ccc21 22733985 IABYYAQHGXIQGR-OAQYLSRUSA-N 466.538 1.214 10 40 JDCB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 27026637 WMEYUZOPFONQNJ-MFYHJKBNSA-N 481.983 1.821 10 40 JDCB COc1ccc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 409390746 LHQHUYWSFIQTCK-INIZCTEOSA-N 463.556 1.728 10 40 JDCB COc1ccc(N2CCN(C(=O)CN(c3ccccc3F)S(=O)(=O)N(C)C)CC2)cc1 216309654 RMRDBMWLXOQKMB-UHFFFAOYSA-N 450.536 1.796 10 40 JDCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)N2CCOCC2)cc1 22998935 BBLUNPGRULDCFW-HXUWFJFHSA-N 454.527 1.652 10 40 JDCB COc1ccc(CNC(=O)CC[C@@H]2CNC(=O)[C@@H]3C[C@H](NCc4ccc(N(C)C)cc4)CN32)cc1 22936780 ACSGJLWEPQYNHD-PWWKTKHKSA-N 479.625 1.889 10 40 JDCB biogenic,in-vitro CN(C)c1cc2c(cc1N/C=C1\C(=O)NC(=O)N(CCc3ccccc3)C1=O)n(C)c(=O)n2C 408532923 NAEQVNASVVQULP-JQIJEIRASA-N 462.510 1.560 10 40 JDCB Cc1c(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc2n1CC(=O)NC[C@H]1CCCO1 8450555 VERJMPYAEWTOQW-OAHLLOKOSA-N 454.552 1.844 10 40 JDCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCC(=O)NCCCN3CCOCC3)C2=O)cc1 9435982 QBYZNOPQCZKGJK-SDXDJHTJSA-N 477.608 1.903 10 40 JDCB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)N3CCOCC3)ccc21 22733939 LPMCTDHDYJMABN-FQEVSTJZSA-N 452.511 1.536 10 40 JDCB COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O 409234889 AFECFGQECPOGMS-LICLKQGHSA-N 451.435 1.927 10 40 JDCB COc1ccc(CCN2C(=O)NC(=O)/C(=C\NCc3ccc4c(c3)OCO4)C2=O)cc1OC 2397034 BQXYVAPKHRICFU-FOWTUZBSSA-N 453.451 1.727 10 40 JDCB CCOC(=O)COc1c(Br)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC 59139564 MKGKFFRZGLOMGZ-UHFFFAOYSA-N 471.329 1.998 10 40 JDCB COC(=O)Cc1c(C)c2c(O)c(CN3CCN(C)CC3)c(C)c(CN3CCN(C)CC3)c2oc1=O 20650123 BSLWOGFNGCZVHR-UHFFFAOYSA-N 486.613 1.326 10 40 JDCB CN1CCN([C@H](CNC(=O)C(=O)NCc2ccc(F)cc2)c2ccc3c(c2)CCCN3C)CC1 22735044 QTOLPSQGKUCBTC-XMMPIXPASA-N 467.589 1.929 10 40 JDCB COc1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc1 9926456 VXMZMTQBLSNOOF-JOCHJYFZSA-N 495.536 1.591 10 40 JDCB COc1ccc(N2CCN3c4ccc(NC(C)=O)cc4CC4(C(=O)NC(=O)NC4=O)[C@H]3C2)cc1 18060298 RWYBSKJUTJADBE-HXUWFJFHSA-N 463.494 1.257 10 40 JDCB CC(C)(C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 13572267 RVQMDJULQXGYBV-PAXILDSZSA-N 453.470 1.999 10 40 JDCB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC 224689567 LUPKJQZLZJZPDN-UHFFFAOYSA-N 463.556 1.477 10 40 JDCB COC(=O)COc1cc(N(C)C)ccc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O 33397258 YPVJKWSOVNNOOR-SXGWCWSVSA-N 457.439 1.777 10 40 JDCB COc1ccccc1N1C(=O)NC(=O)/C(=C\NC[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)C1=O 104094154 SZNOMHVISQKAQU-JMPLCFMRSA-N 494.504 1.718 10 40 JDCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)CC2)cc1 8825931 SJYFTVOLVUUZRZ-UHFFFAOYSA-N 484.509 1.946 10 40 JDCB COc1ccc(N(CCC(N)=O)CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 12533472 GLMQOVLLWNZGLT-UHFFFAOYSA-N 490.582 1.345 10 40 JDCB COc1ccc(/C=C2/SC(=S)N(CC(=O)NCCCN3CCOCC3)C2=O)cc1OC 27530648 ZKXDBXVSKCVCML-QGOAFFKASA-N 465.597 1.744 10 40 JDCB CC(=O)O[C@H]1c2c(c3c(n2C#N)C(=O)c2c(O)cccc2C3=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]1(C)O 34828600 BQWLWNOFIHHESO-UEQSERJNSA-N 496.428 1.203 10 40 JDCB biogenic COCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 16021971 PYERTANNXKMVBR-RSOWOLOUSA-N 485.924 1.751 10 40 JDCB COc1ccc(N2CCN(CCCNC(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 32763969 WXSIRMOLATZIFU-FQEVSTJZSA-N 474.627 1.999 10 40 JDCB CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)N2CCOCC2)cc1 22998814 UGGYYDDYKICHOQ-FQEVSTJZSA-N 454.527 1.287 10 40 JDCB CCS(=O)(=O)N(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc2c(c1)OCO2 14396167 XIUFBPCJBIEFEL-UHFFFAOYSA-N 461.540 1.929 10 40 JDCB COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3cccc(Cl)c3)CC2)cc1 20803167 OCCUDPWZVMZSMP-QFIPXVFZSA-N 499.999 1.826 10 40 JDCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1 408845206 LOKWKICQGAPXLL-YBEGLDIGSA-N 466.406 1.827 10 40 JDCB COCCN1C(=O)/C(=C/c2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S 8858097 LWBPTHOXFUFKBI-QINSGFPZSA-N 464.569 1.271 10 40 JDCB COC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(C(=O)Nc2ccccc2OC)c1C 40476931 KYOSNCCLDMPABC-UHFFFAOYSA-N 474.520 1.931 10 40 JDCB CN1C(=O)C(=Cc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O 8857479 KENVOJOLLLDYPD-UHFFFAOYSA-N 477.477 1.991 10 40 JDCB COCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 20565998 JJVGZQQXVJBPOH-AYFLJRIOSA-N 485.924 1.751 10 40 JDCB CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4cnn(C)c4)c(=O)n32)cc1 22575946 NGBGROZKBFBYAX-PRWBYUBPSA-N 465.579 1.988 10 40 JDCB COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3ccccc3OC)CC2)cc1 96305310 MEKQRYVFKLJHER-QFIPXVFZSA-N 495.580 1.182 10 40 JDCB COc1ccc(N2CCN(CC(=O)Nc3ccc(N4CCOCC4)cc3)[C@H](C(=O)N(C)C)C2)cc1 257240093 HSAFUTVDNZBCHK-DEOSSOPVSA-N 481.597 1.749 10 40 JDCB COc1ccc(N2CCN(Cc3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccccc3F)CC2)cc1 57015999 QRLRSONBYKFNEI-UHFFFAOYSA-N 478.528 1.942 10 40 JDCB Nc1nc(N)c(/N=N\c2c(Br)cc(S(N)(=O)=O)cc2Br)c(O)n1 104090634 APSHPFRIAIITEB-HNENSFHCSA-N 467.103 1.934 10 40 JDCB N=C(N/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O)N[N+](=O)[O-] 408534413 QVNFCELOVFVLRB-GZTJUZNOSA-N 452.471 1.927 10 40 JDCB COc1ccc(N2CCN(C(=O)COC(=O)CNS(=O)(=O)/C=C/c3ccc(C)cc3)CC2)cc1 9633808 HLEWJRAOICYGMQ-LFIBNONCSA-N 487.578 1.786 10 40 JDCB O=C1NC(=O)N(c2ccc(I)cc2)C(=O)/C1=C/NCCCN1CCOCC1 20291695 BGJSZUYLVHMBSQ-NTCAYCPXSA-N 484.294 1.070 10 40 JDCB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1OC 22998968 HKEOFDRCBYWDDB-FQEVSTJZSA-N 456.543 1.898 10 40 JDCB COc1ccc(N2CCN(CC(=O)NCc3nc4ccccc4n3C)[C@H](C(=O)N(C)C)C2)cc1 257264506 LUSGEGNPLNCAPM-QFIPXVFZSA-N 464.570 1.477 10 40 JDCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 10232870 YGXAJWXKAXSODG-VQCBNXJZSA-N 454.595 1.932 10 40 JDCB COc1c(O)c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c(c1O)[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1OC2=O 504674687 WJUHXOKEYUJCMF-NNFXVFTESA-N 493.553 1.200 10 40 JDCB biogenic CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](CCC(=O)O)NC32C(=O)c3ccccc3C2=O)cc1 9410305 FJXOYOJRCUTLAB-YSIASYRMSA-N 476.441 1.372 10 40 JDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3S(=O)(=O)O 5812241 ZKBYWMRIHIDIJE-QKVFXAPYSA-N 462.432 1.077 10 40 JDCB COc1ccc(N2CCN(Cc3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccccc3F)CC2)cc1 57010892 IZDGYPXBEKQQSB-UHFFFAOYSA-N 492.555 1.952 10 40 JDCB CN(C)c1ccc(CNC(=O)C[C@@H]2C(=O)Nc3c2c(=O)n(C)c(=O)n3Cc2ccccc2)cc1 9223149 OHFKWZPTSSUBSW-IBGZPJMESA-N 461.522 1.404 10 40 JDCB Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1 16734523 YLZKIEUODABUPA-VBKFSLOCSA-N 487.607 1.821 10 40 JDCB Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N3CCOCC3)C2=O)c1 408526324 AYNUGCOMTRVRIJ-NTCAYCPXSA-N 462.466 1.992 10 40 JDCB CN1C(=O)C(=Cc2ccc(OCC(=O)O)c(I)c2)C(=O)N(C)C1=S 59139487 ZXZYOTNYEPMOPC-UHFFFAOYSA-N 460.249 1.353 10 40 JDCB CN1CCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)CC1 225564408 GZMQBIHQTCYXJG-UHFFFAOYSA-N 458.584 1.389 10 40 JDCB COc1c(O)c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O 252516742 WJUHXOKEYUJCMF-GGUJWBENSA-N 493.553 1.200 10 40 JDCB COc1ccc(N2CCN(CCNC(=O)N[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)cc1 56925371 LOHIOEHGHAZPAT-LJQANCHMSA-N 495.580 1.693 10 40 JDCB CC1=NN(C(=O)CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)[C@H]1/N=N\c1ccc(S(N)(=O)=O)cc1 104219231 PDPSTZLOXUGFTG-XZSMOWGESA-N 486.466 1.258 10 40 JDCB COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCCCN3CCCC3=O)c3ccco3)CC2)cc1 56946231 ZIMDQOHSXKBPBG-JOCHJYFZSA-N 497.596 1.396 10 40 JDCB CC(=O)O[C@H]1c2c3c(n(C#N)c2[C@H](OC(C)=O)[C@@](C)(O)[C@@H]1OC(C)=O)C(=O)c1c(O)cccc1C3=O 34828601 BQWLWNOFIHHESO-CJRSTVEYSA-N 496.428 1.203 10 40 JDCB COCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 20566199 BFLLMGXTOGRSPH-JYISGYRJSA-N 471.897 1.361 10 40 JDCB O=C1/C(=C/c2c(NCCOCCO)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 8858054 OSXIFPKOZMJNOB-QXPQOBGOSA-N 476.580 1.496 10 40 JDCB COc1ccc(N2CCN(CC(=O)Nc3ccccc3N3CCOCC3)[C@@H](C(=O)N(C)C)C2)cc1 257237296 HFWUJGZGMSWROD-XMMPIXPASA-N 481.597 1.749 10 40 JDCB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1OC 224279483 LGTJKIWXHFFPDF-UHFFFAOYSA-N 476.599 1.393 10 40 JDCB O=C1NC(=S)NC(=O)C1=Cc1cc(Br)c(O)c(I)c1 408737469 BDFINJSFCJUPQS-UHFFFAOYSA-N 453.055 1.674 10 40 JDCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(N)=O)c(OC)c3)C2=O)cc1 409219850 QWBLNUXETPUQPZ-VGOFMYFVSA-N 487.852 1.666 10 40 JDCB COc1ccc(N2CCN(C(=O)CSc3nnnn3-c3ccc4c(c3)OCCO4)CC2)cc1 932501 QTCHMYUMIDFOFV-UHFFFAOYSA-N 468.539 1.883 10 40 JDCB Cc1cc(C(=O)CSc2nnnn2C)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 3347680 YXXZWGZROPTJMP-UHFFFAOYSA-N 476.584 1.614 10 40 JDCB CCCCN1C(=O)/C(=C/NC[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)C(=O)NC1=S 100755803 XPHVDJOWXHRHGU-IPJDOKCGSA-N 460.556 1.470 10 40 JDCB biogenic COc1c(I)cc(Br)cc1C=C1C(=O)NC(=S)NC1=O 663151 GQVZARRKGIRWQZ-UHFFFAOYSA-N 467.082 1.977 10 40 JDCB CN(CCCC(=O)N1CCN(C=O)CC1)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 28295623 JRVLFSWIMLEZTK-UHFFFAOYSA-N 483.546 1.163 10 40 JDCB CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCC(=O)O)cc3)C(=O)N=C2S1 41085283 OAKRCZZUVKYRHI-GVMLJBEOSA-N 450.498 1.797 10 40 JDCB CC[C@H](C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 9348757 ODYPHDYPIVVQSP-UHCBLFSXSA-N 453.470 1.999 10 40 JDCB COCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 16025032 LYPFVUYZWXGCQE-OIBPMIBVSA-N 465.506 1.324 10 40 JDCB CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1CC1(O)CCN(c2ccc(OC)cc2)CC1 257330331 XNXNAXCROMVYIU-DEOSSOPVSA-N 452.599 1.959 10 40 JDCB COc1ccc(N2CCC(O)(CN3CC[C@H]4OC[C@@H](N(C)C(C)=O)[C@](C)(O)C[C@H]4C3)CC2)cc1 585282196 BNBDWMSNFFQFRE-BPUWIUIQSA-N 475.630 1.735 10 40 JDCB CN(C)c1ccc([C@@H]2N=C3NCN(CCN4CCOCC4)CN3c3nc4ccccc4n32)cc1 22933577 DJDVPWLOEAXIKW-HSZRJFAPSA-N 460.586 1.978 10 40 JDCB COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCc3ccccn3)c3ccco3)CC2)cc1 56946107 XIVCVZBLPLWCKM-JOCHJYFZSA-N 463.538 1.979 10 40 JDCB Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1 16734529 FNMCTRKPEBHUSW-PTNGSMBKSA-N 473.580 1.431 10 40 JDCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O 409243891 YQVXDGYLSVMOAQ-SFQUDFHCSA-N 481.465 1.971 10 40 JDCB COc1ccc(N2Cc3nn(CC(=O)NCc4ccc(N5CCOCC5)cc4)c(=O)n3C2=O)cc1 78546845 OGQVHRRUASJXPN-UHFFFAOYSA-N 478.509 1.195 10 40 JDCB O=C(O)[C]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)=C(O)[C@@H]1O 1560403838 QQNAWUBFAMTJEJ-BTYIYWSLSA-N 475.338 1.323 10 40 JDCB COc1ccc(N2CCN(CCn3c(C)c(C)n4c5c(=O)n(C)c(=O)n(C)c5nc34)CC2)cc1 8706183 DXSJWIRHZSUURW-UHFFFAOYSA-N 465.558 1.134 10 40 JDCB COc1ccc(N2CCN(C(=O)CSc3ccc(S(=O)(=O)N(C)C)cn3)CC2)cc1 9126273 RWMJFFNZEKDLGK-UHFFFAOYSA-N 450.586 1.781 10 40 JDCB CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCC(=O)O)cc3)C(=N)N21 20207096 KIPKWPZGEICMGU-GVMLJBEOSA-N 450.498 1.797 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)CCNS(=O)(=O)c3ccc(F)cc3)CC2)cc1 16953946 YQNJPHZBIFFOLW-UHFFFAOYSA-N 457.549 1.265 10 40 JDCB CCCN1C(=O)/C(=C/c2c(N3CCN(CCO)CC3)nc3ccc(C)cn3c2=O)SC1=S 20082741 HKBVNLKYUJSPSQ-LGMDPLHJSA-N 473.624 1.728 10 40 JDCB COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22809543 KADPPKXDOLBJTF-QFIPXVFZSA-N 453.587 1.482 10 40 JDCB COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C(=O)NC2=S)cc1 409231194 IHURFPMFYOMDDH-XSFVSMFZSA-N 481.530 1.764 10 40 JDCB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 22734572 QHXRFPPNIPWCBF-XMMPIXPASA-N 478.597 1.681 10 40 JDCB COc1ccc(N2CCN(Cc3nc4c(c(=O)n(C)c(=O)n4C)n3CC(=O)C(C)(C)C)CC2)cc1 56966690 KYMFHQQGHFMCFU-UHFFFAOYSA-N 482.585 1.380 10 40 JDCB CCOc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1cc(OC)c(OC)c(OC)c1)CN=3)C(=O)N2 2330906 UZHPQYIPVHJBQN-VZCXRCSSSA-N 496.545 1.540 10 40 JDCB Cc1ccc2nc(N3CCN(CCO)CC3)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(=O)n2c1 20100492 UOFQVDNWNXRPCP-ATVHPVEESA-N 473.624 1.727 10 40 JDCB NS(=O)(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(CCS(=O)(=O)O)C3=O)o2)cc1 26967582 YDMKVQUJYHVMJF-NTEUORMPSA-N 474.563 1.683 10 40 JDCB CCCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O 9253544 UHJKZZXJSGLEET-FXFXYLOPSA-N 493.520 1.120 10 40 JDCB COc1ccc(N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccc(F)cc3)CC2)cc1 12651994 SUPNLJJZQJGYJG-UHFFFAOYSA-N 478.528 1.956 10 40 JDCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(N)=O)C2=O)cc1 409225134 OUDACVWZTMVDOG-OQLLNIDSSA-N 457.826 1.657 10 40 JDCB COc1c2c(cc3c1[C@H](CN/C=C1/C(=O)NC(=S)N(Cc4ccccc4)C1=O)N(C)CC3)OCO2 19363210 ZJTGPMQFTPEPJV-PNDHZVEESA-N 494.573 1.870 10 40 JDCB biogenic COc1c2c(cc3c1[C@@H](CN/C=C1\C(=O)NC(=O)N(c4ccc(F)cc4)C1=O)N(C)CC3)OCO2 20410641 JPOZSMQKILBVIW-BRVCPTFNSA-N 482.468 1.849 10 40 JDCB biogenic COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(S(N)(=O)=O)cc1 103920078 VHSXZGQRZWAUCG-UNOMPAQXSA-N 473.467 1.894 10 40 JDCB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccc(N(C)C)cc2)CC1 22999005 BCIRVVBMBPGJPI-OAQYLSRUSA-N 454.531 1.704 10 40 JDCB COc1ccc(N2CCN(C3=NC(=O)C[C@H](C(=O)Nc4ccc(NC(C)=O)cc4)N3)CC2)cc1 25185690 OJVGVUXEKRFLPK-OAQYLSRUSA-N 464.526 1.659 10 40 JDCB CCOC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccc(C(=O)OC)cc3)C2=O)cc1OC 666824 MIBPMEVYJBKNKV-BOPFTXTBSA-N 454.435 1.885 10 40 JDCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N[C@H]3CCS(=O)(=O)C3)C2=O)cc1 10232923 ZIIXFTBTQWFBEE-HNDQUVLASA-N 454.595 1.980 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(O[C@H](C)C(=O)N4CCOCC4)cc3)CC2)cc1 408605673 NFHYLSMZLZZQNW-LJQANCHMSA-N 489.594 1.832 10 40 JDCB CCOC(=O)CCN1C(=O)[C@H]([C@@H]2SC(=S)N(CCC(=O)OCC)C2=O)SC1=S 6142550 JVUARPXAXLJYGU-RYUDHWBXSA-N 464.612 1.351 10 40 JDCB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)N3CCOCC3)ccc21 22733972 VMHKKPKEUABKNV-OAQYLSRUSA-N 466.538 1.578 10 40 JDCB CC(C)N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O 9347838 AKPNYCMWJOZZBN-QIPHDZALSA-N 493.520 1.119 10 40 JDCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 16488310 HKFHCVVTSCVMRJ-NBVRZTHBSA-N 456.480 1.286 10 40 JDCB COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 22735086 CHFDKGUPUNNDSG-VWLOTQADSA-N 479.625 1.799 10 40 JDCB COC(=O)C[C@H]1C(=O)NCCN1C(=O)CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 27026631 WMEYUZOPFONQNJ-GWQWUEFDSA-N 481.983 1.821 10 40 JDCB COc1ccc(N(CCC(N)=O)CC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 8725961 QUHVFGUZNKJWLM-UHFFFAOYSA-N 495.001 1.564 10 40 JDCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1 408534083 UTOFKNVCNJDLBW-QGOAFFKASA-N 458.496 1.914 10 40 JDCB CC(=O)N1C(=O)/C(=C2\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)c2cc(Br)ccc21 2296977 NPXDLNKMWJIBHR-AGKQBQDBSA-N 499.320 1.842 10 40 JDCB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)N3CCOCC3)ccc21 16838414 NGFVKRZQLOVFKJ-QFIPXVFZSA-N 480.565 1.968 10 40 JDCB CCn1c(=O)/c(=C2/Sc3ccc(OC)cc3N2C)s/c1=C1\SC(=S)N(C)C1=O 100500030 GRCVXAGSKPXHLC-BHZQTOLTSA-N 451.620 1.844 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)CCNS(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1 16953941 IVTZYBWZJCLQSZ-UHFFFAOYSA-N 499.611 1.143 10 40 JDCB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccc(N(C)C)cc2)CC1 22999003 BCIRVVBMBPGJPI-NRFANRHFSA-N 454.531 1.704 10 40 JDCB CN1CCN([C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(N(C)C)cc2)CC1 22999011 XGMBAVKXPSRBBS-NRFANRHFSA-N 454.531 1.704 10 40 JDCB COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc4oc(=O)c5ncn(C)c5c4c3)CC2)cc1 62986977 PNDFYWQOSYZGCW-UHFFFAOYSA-N 497.577 1.789 10 40 JDCB COCCCN1C(=O)/C(=C/c2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S 8858363 XNCINCZJBMRHGK-VBKFSLOCSA-N 478.596 1.661 10 40 JDCB CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)s1 408530968 NBRFVUCQMBDGDQ-UHFFFAOYSA-N 450.502 1.248 10 40 JDCB COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NC[C@H]3CCCO3)c3ccco3)CC2)cc1 56946141 IQTYCSKDJDARAX-RTWAWAEBSA-N 456.543 1.563 10 40 JDCB CNc1c(I)cc(C=C2C(=O)NC(=O)NC2=O)cc1I 408742062 PATOHJUKIXMVFP-UHFFFAOYSA-N 497.030 1.687 10 40 JDCB O=C(/C=C\c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O 33737268 YDDGKXBLOXEEMN-VRXQGDALSA-N 474.374 1.228 10 40 JDCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1ccc(S(N)(=O)=O)cc1 9059877 MGZGGQUQUUVXMR-STZFKDTASA-N 474.514 1.845 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1 8611438 DVJGGIFEVLYRNY-UHFFFAOYSA-N 477.583 1.523 10 40 JDCB O=C1NC(=O)C(=Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1 59488775 XXBIYHNDKDDXBO-UHFFFAOYSA-N 466.410 1.579 10 40 JDCB COc1ccc(N2CCN(C(=O)COC(=O)CCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)CC2)cc1 102129644 NKIYNXUZULAZFV-BGYRXZFFSA-N 455.511 1.228 10 40 JDCB COCCN1C(=O)/C(=C/c2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)SC1=S 9158081 HXSOEZYZTYYOFN-VBKFSLOCSA-N 487.607 1.552 10 40 JDCB COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCCCN3CCOCC3)c3ccco3)CC2)cc1 9828963 XMNZJOCIBAOBIY-HSZRJFAPSA-N 499.612 1.106 10 40 JDCB CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 20050025 FPMNMGBOANUDMJ-UHFFFAOYSA-N 450.536 1.592 10 40 JDCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(C)nc3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 648966 HYQQHBXXDHWBBE-JAORQVBISA-N 465.579 1.906 10 40 JDCB NC(=O)C[C@@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21 15276754 DBYISQBSXCCVQB-UPUUWEMXSA-N 459.458 1.694 10 40 JDCB COc1ccc(N2CCN(CCNC(=O)N[C@H]3CC(=O)N(c4ccc(OC)cc4)C3)CC2)cc1 56925360 COCRBWOUOOPEJT-IBGZPJMESA-N 467.570 1.931 10 40 JDCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1=O 408526568 BNIXOFKQJSJKGA-ZRDIBKRKSA-N 450.411 1.672 10 40 JDCB NC(=O)C[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21 15276750 DBYISQBSXCCVQB-AIFLQVKLSA-N 459.458 1.694 10 40 JDCB O=C1NC(=O)C(=Cc2cc(Br)ccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(=O)N1 408757043 WCMATJWAEJSRBG-UHFFFAOYSA-N 496.251 1.874 10 40 JDCB COC(=O)Cc1c(C(=O)OC)sc2nc(CN3CCN(c4ccc(OC)cc4)CC3)[nH]c(=O)c12 32739721 PIXLYBGCELXUHD-UHFFFAOYSA-N 486.550 1.818 10 40 JDCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 103849088 MCNYQIXWXQAGDT-IPJDOKCGSA-N 452.423 1.399 10 40 JDCB COC(=O)CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)OC)C2=O)SC1=S 2282971 XPXZXTICGOUOOC-VAWYXSNFSA-N 462.596 1.825 10 40 JDCB COCCn1c(=O)[nH]c2cc(C(=O)NCCCN3CCN(c4ccc(OC)cc4)CC3)ccc2c1=O 4766412 JNLJXQHTBAMUSI-UHFFFAOYSA-N 495.580 1.287 10 40 JDCB COc1ccc(N2CCN(c3ncccc3S(=O)(=O)N3CCC(C(N)=O)CC3)CC2)cc1 67244836 LBORNVOWJAUTFO-UHFFFAOYSA-N 459.572 1.303 10 40 JDCB N=C1/C(=C\c2ccc(Br)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 9184903 CDGULQBUSBRXMX-HBGXEOCBSA-N 452.290 1.910 10 40 JDCB O=C(COC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 13163415 KJXLIZNQEYTZJL-IRXDYDNUSA-N 472.453 1.895 10 40 JDCB Cc1cc(C(=O)CN2C(=O)CN(C)C2=O)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 3377048 PBVXMAURBVAZLW-UHFFFAOYSA-N 474.539 1.192 10 40 JDCB CN1C(=O)N(C)C(=O)C2(Cc3cc(C=C4C(=O)OC(C)(C)OC4=O)ccc3N3CCC[C@@H]32)C1=O 9252685 RSQONKGSIAORBS-QGZVFWFLSA-N 467.478 1.468 10 40 JDCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)N1CCOCC1 207893303 NJNWRBKLXAIZNK-OQLLNIDSSA-N 452.510 1.219 10 40 JDCB COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccc(Cl)cc3)CC2)cc1 20638999 BWNWIYZICBAEAE-JOCHJYFZSA-N 499.999 1.826 10 40 JDCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(N)=O 408954657 SFNJDVVWQGJKPP-VGOFMYFVSA-N 453.407 1.345 10 40 JDCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)O 9259822 UYZPNOVFWMYZBT-VGOFMYFVSA-N 454.391 1.944 10 40 JDCB CN1C(=O)/C(=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)c2cc(Br)ccc21 13424025 QXOHNKZUQDJXDL-KHPPLWFESA-N 463.356 1.885 10 40 JDCB COc1cccc([C@@H]2N[C@@](C)(C(=O)O)[C@@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C(=O)[C@H]23)c1O 15306746 PJDZMWGQPZQPEB-DWKCODDLSA-N 453.451 1.653 10 40 JDCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(I)c1OCC(=O)O 408832470 WXZNJBARSDZTON-UHFFFAOYSA-N 474.207 1.197 10 40 JDCB COc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 9096663 BJFZDKMIDWIELP-NRFANRHFSA-N 481.509 1.283 10 40 JDCB COc1c(O)c(CN2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O 79189234 WJUHXOKEYUJCMF-AJXCFZBZSA-N 493.553 1.200 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(N4C(=O)C(C)(C)CS4(=O)=O)cc3)CC2)cc1 11907023 RCQPYEWCPMSARF-UHFFFAOYSA-N 493.607 1.909 10 40 JDCB CCCn1c(=O)oc2cc(NC(=O)CN3CCN(c4ccc(OC)cc4)C[C@@H]3C(N)=O)ccc21 257303703 SIJBPCHMHVNKRT-HXUWFJFHSA-N 467.526 1.628 10 40 JDCB CCOC(=O)c1cnc(SCC(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc1N 9634857 JPRJCESLJJNHSH-UHFFFAOYSA-N 489.554 1.228 10 40 JDCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3nc(O)[nH]c3cc2N2CCOCC2)C1=O 408538694 PEUVCDHNZBKBKC-WYMLVPIESA-N 462.466 1.992 10 40 JDCB Nc1ccc(N([C@@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2ccc(Br)cc2)cc1 575422640 NUVPWYNVVPSANS-HZPDHXFCSA-N 461.359 1.385 10 40 JDCB CCN1C(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C(=O)N=C1S 9348594 SSHZGLYTPFHBTA-JBXOJTMHSA-N 495.561 1.306 10 40 JDCB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 10906298 PNBXHEUFMOFNHM-KRWDZBQOSA-N 474.583 1.807 10 40 JDCB O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(Cc4ccccc4O)C[C@@H]13)CC[C@@H]2O 253402730 OPPCHLJSYOHOCM-YALMDMJRSA-N 495.576 1.526 10 40 JDCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(N)=O 409223811 IFVSIQAMBPBWIJ-WLRTZDKTSA-N 474.813 1.787 10 40 JDCB C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 10113443 ICOJJQPOFHNFBF-KRWDZBQOSA-N 475.567 1.765 10 40 JDCB CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OS(C)(=O)=O)cc3)C(=O)N=C2S1 41085275 LRMXFGVTTHANCB-ILZPQDLUSA-N 470.554 1.672 10 40 JDCB COCCN1C(=O)/C(=C/c2cn(CC(=O)NC3CCCC3)c3ccccc23)C(=O)NC1=S 6288618 SCLYEWWSZZQLHX-LDADJPATSA-N 454.552 1.973 10 40 JDCB Cc1cc(C(=O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(C)n1-c1ccc2c(c1)OCO2 22799376 NYVRSRNWWXHYAN-IBGZPJMESA-N 459.568 1.810 10 40 JDCB COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc5c(c4)OCO5)C3=O)CC2)cc1 23475229 BERKKCODZTXLRA-XMMPIXPASA-N 466.494 1.540 10 40 JDCB COc1ccc(N2CCN(C(=O)COC(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)cc1 13146434 NKIYNXUZULAZFV-WOJBJXKFSA-N 455.511 1.228 10 40 JDCB CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccc(F)cc2)c2ccc3c(c2)CCN3C)CC1 22734275 RSVHPWJJHSMIDT-QHCPKHFHSA-N 453.562 1.539 10 40 JDCB COCCN1C(=O)[C@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 103518069 BFLLMGXTOGRSPH-HTIQSUCMSA-N 471.897 1.361 10 40 JDCB CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](N)[C@H](O)[C@@H](C)O2)C1)C(=O)c1ccccc1C3=O 253636932 XDXDZDZNSLXDNA-HVFAMCEISA-N 497.500 1.020 10 40 JDCB in-vitro CCOc1cc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)ccc1OCC(=O)N1CCOCC1 409209065 FOQZQNMFDMNBJT-UHFFFAOYSA-N 475.567 1.702 10 40 JDCB COc1ccc(N2CCN(CCNC(=O)N[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)cc1 56925372 LOHIOEHGHAZPAT-IBGZPJMESA-N 495.580 1.693 10 40 JDCB CCn1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(N(C)C)cc2)C(C(=O)OC)=C(C)N=3)n1 22532409 INQSRRJNLARKRW-ZPBCLNFZSA-N 451.552 1.691 10 40 JDCB COc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1OC 13670079 KFUNLTYWGFSFQA-UHFFFAOYSA-N 463.556 1.623 10 40 JDCB CN1CCN(c2cc3[nH]c(O)nc3cc2N/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)CC1 408528155 FJKGEUIKQMYDSN-BMRADRMJSA-N 489.536 1.637 10 40 JDCB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)C2=O)cc1 8720568 RITLHNWFABCSEL-RUZDIDTESA-N 466.538 1.957 10 40 JDCB CN1CCN([C@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)c2ccc3c(c2)CCN3C)CC1 22734331 YAXZHZWILVYECF-JOCHJYFZSA-N 479.581 1.129 10 40 JDCB CCOC(CNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(OC)cc2)CC1)OCC 56946191 WIGMLMZJNOFJOH-NRFANRHFSA-N 488.585 1.783 10 40 JDCB COc1ccc2c3c(n(C[C@H](O)CN4CCN(C)CC4)c(=O)c2c1OC)-c1ccccc1C3=O 604404874 HOEPYZQNWFRGEE-MRXNPFEDSA-N 463.534 1.838 10 40 JDCB biogenic CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)CC1 1447011 OLZQHRYVDIWSNB-OWBHPGMISA-N 459.553 1.804 10 40 JDCB COc1ccc(N2CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)cc1 2630725 CSBLXXUMXFKTGK-UHFFFAOYSA-N 465.597 1.669 10 40 JDCB O=C([C@H]1CN(C(=O)/C=C/c2cn(Cc3ccccc3)nn2)c2ccccc2O1)N1CCOCC1 9580992 MHGPFTWCBVBMNY-BREAQWACSA-N 459.506 1.993 10 40 JDCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N4CCN(CCO)CC4)c4ccccc34)[C@@H]21 1616044685 SODLZCZZGVCDRM-AREMUKBSSA-N 473.577 1.925 10 40 JDCB COc1c(O)cc2c(c1O)C(=O)O[C@H](C)[C@H](O)c1c(O)c(O)c(OC)c(O)c1C(=O)O[C@H](C)[C@H]2O 31163483 CALDIMUKIDAVEP-CHFCKMNRSA-N 496.421 1.103 10 40 JDCB biogenic,in-vitro COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(=O)c4ccccc4o3)CC2)cc1 8611497 RVQCHYGMXILFEI-UHFFFAOYSA-N 471.535 1.683 10 40 JDCB COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OS(C)(=O)=O 20207298 AVRXPUKXCMPRAX-WGAGLLEQSA-N 486.553 1.433 10 40 JDCB COCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 16734559 LRGVZFHSISBFQY-GRRFOWRYSA-N 494.620 1.450 10 40 JDCB O=C(NCCN1CCOCC1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 25499942 KRGSGCRCPVLXIV-UHFFFAOYSA-N 450.473 1.163 10 40 JDCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(NCCCn3ccnc3)nc12 2520495 GTQUYKVQSJRDSC-GDNBJRDFSA-N 484.563 1.987 10 40 JDCB COc1ccc(N2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3CC(=O)c3ccccc3)CC2)cc1 9849190 VLDSNSKXPKEPEA-UHFFFAOYSA-N 474.521 1.641 10 40 JDCB O=C1[C@H]2[C@@H](C(=O)N1C[C@@H]1CCCO1)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccccc21 16026536 PHCYXDNBYNOINN-WRNJSPSRSA-N 463.490 1.240 10 40 JDCB biogenic COc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3C(=O)c3ccc(C)cc3)CC2)cc1 9926441 VRJPZVVHSJGSOR-QFIPXVFZSA-N 450.539 1.683 10 40 JDCB COc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3c(cc2N(C)C)n(C)c(=O)n3C)C1=O 408532619 QOMZUKHFHADFRZ-OUKQBFOZSA-N 464.482 1.530 10 40 JDCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 10232922 ZIIXFTBTQWFBEE-VQCBNXJZSA-N 454.595 1.980 10 40 JDCB COc1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C(=O)NC3CCCCC3)CC2)cc1 9926457 QLAREEJREYGYRH-OAQYLSRUSA-N 457.575 1.577 10 40 JDCB COc1ccc(N2CCN(CCCNC(=O)c3cc(S(N)(=O)=O)ccc3OC)CC2)cc1 8386156 ZOKFQLHYKCPONY-UHFFFAOYSA-N 462.572 1.293 10 40 JDCB CN1C(=O)N(C)C(=O)C2(Cc3cc(NC=C4C(=O)OC(C)(C)OC4=O)ccc3N3CCC[C@@H]32)C1=O 9253057 ROJJFICFYWNORJ-QGZVFWFLSA-N 482.493 1.380 10 40 JDCB COc1ccc(/C=C2\SC(=S)N(CC(=O)NCCCN3CCOCC3)C2=O)cc1OC 8819402 ZKXDBXVSKCVCML-AQTBWJFISA-N 465.597 1.744 10 40 JDCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)cc1 9221333 WNDMHAWQXCKFGM-IBGZPJMESA-N 463.538 1.769 10 40 JDCB COCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 20566759 HTAZJWGWTPBPLV-KHTISZTLSA-N 465.506 1.324 10 40 JDCB COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1 22733868 RYFVPADQSFSUTM-QFIPXVFZSA-N 468.554 1.824 10 40 JDCB CC1=NN(C(=O)CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)[C@@H]1/N=N\c1ccc(S(N)(=O)=O)cc1 104219222 PDPSTZLOXUGFTG-ANEHGGCBSA-N 486.466 1.258 10 40 JDCB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1 13007360 NOVRTCJROSNJRG-QHCPKHFHSA-N 465.554 1.766 10 40 JDCB CCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)C(=O)N(CC)C1=S 409216080 HUWSLILTIOOTHG-UHFFFAOYSA-N 461.540 1.312 10 40 JDCB COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22734122 CHOHPMUUZVHZJY-QFIPXVFZSA-N 452.555 1.493 10 40 JDCB CCN(C(=O)CN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 28296999 GKANGXZNTZYWKK-KNGSKEOJSA-N 454.595 1.932 10 40 JDCB CC(C)CNC(=O)Cn1c(=O)/c(=C/c2ccc(N(C)C)c([N+](=O)[O-])c2)s/c1=C/C(=O)C(C)(C)C 33788699 BEQJHFRUQCFHAM-TZRLVWCCSA-N 488.610 1.881 10 40 JDCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408752370 AFCQDQRIFNSBAD-UHFFFAOYSA-N 477.476 1.676 10 40 JDCB COc1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C(=O)c3ccccc3C)CC2)cc1 9926450 UKULYGWWYXTAGN-JOCHJYFZSA-N 450.539 1.683 10 40 JDCB COCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 20548493 PYERTANNXKMVBR-UNKHORCTSA-N 485.924 1.751 10 40 JDCB COc1ccc(N2CCN(CC(=O)c3c(N)n(Cc4ccccc4)c(=O)n(C)c3=O)CC2)cc1 36408713 BVVFLAZTOFEOHZ-UHFFFAOYSA-N 463.538 1.191 10 40 JDCB COc1c(O)c(CN2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O 100796421 WJUHXOKEYUJCMF-GCZKFXIUSA-N 493.553 1.200 10 40 JDCB CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1 22998919 QSTNMWGMFKNFLO-JOCHJYFZSA-N 453.543 1.839 10 40 JDCB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1I 408914795 YZWMEJODCSPSGH-UXBLZVDNSA-N 474.276 1.490 10 40 JDCB COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NC[C@@H]3CCCO3)c3ccco3)CC2)cc1 56946136 IQTYCSKDJDARAX-SFTDATJTSA-N 456.543 1.563 10 40 JDCB COc1ccc(N2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccc(F)cc3)CC2)cc1 10272099 CXATUWVNWTULNT-UHFFFAOYSA-N 464.501 1.946 10 40 JDCB COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 22734510 YFJCOXAUTBRYEM-QFIPXVFZSA-N 451.571 1.731 10 40 JDCB COc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 54313902 QQKMRIRIDHMQPC-HSZRJFAPSA-N 495.580 1.182 10 40 JDCB COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3cccc(C)c3)CC2)cc1 54313897 LUBRKXKVFVQHQT-QHCPKHFHSA-N 479.581 1.481 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)CC2)cc1 1333269 QBDJJZNTKUWRPT-UHFFFAOYSA-N 465.597 1.991 10 40 JDCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cnn(C)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 13882155 RNVWQEXZOPUPTN-JAORQVBISA-N 465.579 1.906 10 40 JDCB Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)c1 408536992 YSKLPSVCLHBRJH-JLHYYAGUSA-N 450.411 1.672 10 40 JDCB CCOC(=O)COc1cc(Br)c(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC 1100186 OPGLTVUSXFIAMF-UHFFFAOYSA-N 455.261 1.833 10 40 JDCB COc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3C(=O)NC3CCCCC3)CC2)cc1 9926458 QLAREEJREYGYRH-NRFANRHFSA-N 457.575 1.577 10 40 JDCB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)N3CCOCC3)ccc21 22733936 LPMCTDHDYJMABN-HXUWFJFHSA-N 452.511 1.536 10 40 JDCB CCN1/C(=c2\s/c(=C3\SC(=S)N(N)C3=O)n(CC)c2=O)C=Cc2cc(OC)ccc21 103755826 DYZLNXSTAWDNQT-BXJPJTCASA-N 460.606 1.442 10 40 JDCB COc1ccc(N2CCN(CC3(O)CCN(c4cccc(OC)c4)CC3)[C@@H](C(N)=O)C2)cc1 257332558 XXVPFCNPCOIQBV-HSZRJFAPSA-N 454.571 1.711 10 40 JDCB COc1c(O)c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c(c1O)[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1OC2=O 504674688 WJUHXOKEYUJCMF-RIFXBUIESA-N 493.553 1.200 10 40 JDCB biogenic COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCC(OC)OC)c3ccco3)CC2)cc1 56946067 HBRZAGFXFCLPPK-LJQANCHMSA-N 460.531 1.003 10 40 JDCB Nc1ccc(N([C@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2ccc(Br)cc2)cc1 575422639 NUVPWYNVVPSANS-HOTGVXAUSA-N 461.359 1.385 10 40 JDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3S(=O)(=O)O 5812239 ZKBYWMRIHIDIJE-XUSGNXJCSA-N 462.432 1.077 10 40 JDCB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(N2CCOCC2)cc1 13648954 ZOELHPSJRZVYKE-UHFFFAOYSA-N 475.567 1.483 10 40 JDCB Cc1cc(C(=O)CN2CCC(O)CC2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 21581834 FBEBZVPKKWZLEI-UHFFFAOYSA-N 461.584 1.754 10 40 JDCB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1OC 22734116 GWCPVMJCFWKKKU-NRFANRHFSA-N 468.554 1.824 10 40 JDCB CCn1nccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(N(C)C)cc1)C(C(=O)OC)=C(C)N=2 13959739 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COc1ccc(N(CCC(N)=O)CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 8720369 ZINYDJSXHKTBBH-UHFFFAOYSA-N 460.556 1.800 10 40 JDCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 57434713 YGXAJWXKAXSODG-DSQDWWTGSA-N 454.595 1.932 10 40 JDCB NC(=O)COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 108974241 VVTMJYKIKUJZMP-SDQBBNPISA-N 461.228 1.683 10 40 JDCB COc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c(OC)c1 10113348 VLGXQFRDJHYMHL-UHFFFAOYSA-N 463.556 1.623 10 40 JDCB COc1c(O)cc2c(c1O)C(=O)O[C@H](C)[C@H](O)c1c(O)c(O)c(OC)c(O)c1C(=O)O[C@@H](C)[C@@H]2O 31163487 CALDIMUKIDAVEP-HMIGDXOKSA-N 496.421 1.103 10 40 JDCB biogenic,in-vitro COC(=O)COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1I 59139489 GFWXASBXXSBJDQ-UHFFFAOYSA-N 474.276 1.442 10 40 JDCB COC(=O)c1ccc(N2NC(=O)/C(=C/c3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1 8443109 JTVWJPPREMYXND-UYRXBGFRSA-N 466.475 1.373 10 40 JDCB COCCCN1C(=O)/C(=C\c2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2678592 GYUKUNQKLPYEDF-SAPNQHFASA-N 473.624 1.992 10 40 JDCB Cc1cc(C(=O)CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 12609813 HKCOTHVUJHUIBD-LJQANCHMSA-N 488.610 1.495 10 40 JDCB Cc1cc(C(=O)COC(=O)c2cnn(C)c2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 14702601 ZBYGTGNMDIDIHW-UHFFFAOYSA-N 486.550 1.888 10 40 JDCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)C2=O)cc1 9310350 ZFSQIEQOSGNUSJ-CPNJWEJPSA-N 495.488 1.608 10 40 JDCB CCn1cc(S(=O)(=O)N2CCN(C3=NC(=O)/C(=C/c4cccc(O)c4)S3)CC2)c(C)n1 71782821 LUXDIYQBVFLJEQ-ATVHPVEESA-N 461.569 1.894 10 40 JDCB COc1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C(=O)c3ccc(C)cc3)CC2)cc1 9926442 VRJPZVVHSJGSOR-JOCHJYFZSA-N 450.539 1.683 10 40 JDCB O=C1N=C(O)/C(=C/NCCN2CCNCC2)C(=O)N1c1ccc(I)cc1 102531479 BVQVAJMGIGTETB-KAMYIIQDSA-N 469.283 1.093 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)c3cc(N4C(=O)CCS4(=O)=O)ccc3C)CC2)cc1 11907016 GGQMOBGYMOCABE-UHFFFAOYSA-N 479.580 1.581 10 40 JDCB COc1ccc(N2C(=O)NC(=O)/C(=C/NC[C@H]3c4c(cc5c(c4OC)OCO5)CCN3C)C2=O)cc1 20113058 KZTLRQIDAKNVAY-PNDHZVEESA-N 494.504 1.718 10 40 JDCB biogenic COc1ccc(N2CCN(C(=O)CSc3nc4cc(S(N)(=O)=O)ccc4n3C)CC2)cc1 9714820 HREXIHXDKSGENL-UHFFFAOYSA-N 475.596 1.670 10 40 JDCB CN1CCN([C@H](CNC(=O)C(=O)NCc2ccc(F)cc2)c2ccc3c(c2)CCN3C)CC1 22734278 RSVHPWJJHSMIDT-HSZRJFAPSA-N 453.562 1.539 10 40 JDCB COCCN1C(=O)/C(=C/c2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S 8858362 INGKFZRDCAWCCC-PTNGSMBKSA-N 464.569 1.271 10 40 JDCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(N)=O)c(Cl)c3)C2=O)cc1 409225936 UALZQFSOLOKQPD-RIYZIHGNSA-N 457.826 1.657 10 40 JDCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(I)c1OCC(=O)O 408914943 SDPGTIFYKAOEBS-FPYGCLRLSA-N 476.248 1.020 10 40 JDCB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)c2ccc(N(C)C)cc2)CC1 22809770 ARXSPRJNRTZMDB-OAQYLSRUSA-N 467.570 1.567 10 40 JDCB COc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@]4(C(=O)NC(=O)N(C)C4=O)[C@H]3C2)cc1 9430890 IRUXAIBRSDFDEW-XXBNENTESA-N 465.466 1.549 10 40 JDCB COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3ccccc3C)CC2)cc1 20638899 BDAZHYHOSYRRMX-QHCPKHFHSA-N 479.581 1.481 10 40 JDCB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22734223 MDZFTBNVBPKNKI-HSZRJFAPSA-N 451.571 1.731 10 40 JDCB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22734226 MDZFTBNVBPKNKI-QHCPKHFHSA-N 451.571 1.731 10 40 JDCB CN(C)c1ccc([C@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)N2CCOCC2)cc1 19819072 PTVZAEFKWGWSOS-QFIPXVFZSA-N 486.594 1.622 10 40 JDCB NC(=O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] 107931225 YXGSKGXCVXVBJI-QPEQYQDCSA-N 461.228 1.683 10 40 JDCB COc1ccc(N2CCN(C(=O)c3ccccc3OCCN3CCCC3=O)[C@H](C(N)=O)C2)cc1 257309351 UAPUHMGXAIBODO-NRFANRHFSA-N 466.538 1.513 10 40 JDCB Nc1nc(N)c(/N=N\c2c(Br)cc(S(N)(=O)=O)cc2Br)c(N)n1 17426413 FKTXKJAEVJVTPW-VXPUYCOJSA-N 466.119 1.811 10 40 JDCB CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](N)[C@@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O 201102172 XDXDZDZNSLXDNA-HAHGILLCSA-N 497.500 1.020 10 40 JDCB in-vitro NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br 409226925 WMAPJVJSQKUZCU-AWNIVKPZSA-N 489.238 1.888 10 40 JDCB COCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 16734556 LRGVZFHSISBFQY-MLJKTZRHSA-N 494.620 1.450 10 40 JDCB COCCCN1C(=O)/C(=C/c2c(NCCN3CCOCC3)nc3ccccn3c2=O)SC1=S 20065801 SIOOEAONBBHKHG-ICFOKQHNSA-N 489.623 1.676 10 40 JDCB COc1c(O)c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O 223880431 WJUHXOKEYUJCMF-JLXKCCFFSA-N 493.553 1.200 10 40 JDCB COc1cc(N2CN=c3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3C2)cc(OC)c1OC 2297177 HCUMERPJQDFFLG-LSCVHKIXSA-N 456.480 1.727 10 40 JDCB CC[C@H](C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 13574625 ODYPHDYPIVVQSP-GQFSOJHHSA-N 453.470 1.999 10 40 JDCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)NC(CO)(CO)CO)cc1 16312055 LWCLIFRRYGWPGQ-SRZZPIQSSA-N 488.566 1.016 10 40 JDCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC(N)=O 33657682 VGSCWJXWGZSRHG-QPEQYQDCSA-N 493.257 1.625 10 40 JDCB COc1ccc(N2CCN(CCn3c(C)c(C)n4c5c(=O)[nH]c(=O)n(C)c5nc34)CC2)cc1 10233908 PZQVTZGMIBNAKX-UHFFFAOYSA-N 451.531 1.124 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)c3cc(-n4cnnn4)ccc3C)CC2)c([N+](=O)[O-])c1 12462403 WXAHDSGASLACAB-UHFFFAOYSA-N 459.488 1.398 10 40 JDCB O=c1cc(-c2ccccc2)oc2c(CN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c(O)c(O)c(O)c12 95474939 MGOGQCLFKZPAEC-MRXNPFEDSA-N 486.546 1.882 10 40 JDCB biogenic COc1ccc(N2CCN(CCNC(=O)N[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3)CC2)cc1 56925359 COCRBWOUOOPEJT-LJQANCHMSA-N 467.570 1.931 10 40 JDCB CNC(=S)N1CCN(CCN/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)CC1 20461236 IKENCOJPMXXDLG-OBGWFSINSA-N 466.567 1.018 10 40 JDCB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c(OC)c1 22734337 NFNDHDUKARSVEU-QHCPKHFHSA-N 481.597 1.740 10 40 JDCB COc1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 9926443 UBRNOLAOBVVLDJ-OAQYLSRUSA-N 496.564 1.392 10 40 JDCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)c1 408526218 BBPWGESZXOZKRF-JLHYYAGUSA-N 464.438 1.981 10 40 JDCB COCCCN1C(=O)/C(=C/c2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S 8858099 VNHCGNALLRFMCK-SSZFMOIBSA-N 478.596 1.661 10 40 JDCB COc1c2c(cc3c1[C@H](CN/C=C1/C(=O)NC(=O)N(C4CCCCC4)C1=O)N(C)CC3)OCO2 20113354 OKUUVXMJSOFYQV-NIFLVVHWSA-N 470.526 1.838 10 40 JDCB biogenic COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 22734507 YFJCOXAUTBRYEM-JOCHJYFZSA-N 451.571 1.731 10 40 JDCB COc1ccc(N2CCN(C(=O)c3cn(C)c4c(=O)n(-c5ccccc5)c(=O)[nH]c34)CC2)cc1 9651334 ZORQPDITXQHWDT-UHFFFAOYSA-N 459.506 1.989 10 40 JDCB COCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 16021972 PYERTANNXKMVBR-WDEBQMKVSA-N 485.924 1.751 10 40 JDCB COc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3C(=O)c3ccccc3C)CC2)cc1 9926449 UKULYGWWYXTAGN-QFIPXVFZSA-N 450.539 1.683 10 40 JDCB Cc1ccc2nc(N3CCN(CCO)CC3)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 20100112 JBNHLEUHXRHCQH-PDGQHHTCSA-N 487.651 1.974 10 40 JDCB CCOc1ccc(N2C(=O)/C(=C/N3CCN(C(=O)c4ccco4)CC3)C(=O)NC2=S)cc1 105966079 GPZDMPAZZKFLJJ-SAPNQHFASA-N 454.508 1.768 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)CCNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 16890490 UXVMSHNGFIFZSI-UHFFFAOYSA-N 496.611 1.084 10 40 JDCB COc1ccc(N2CCN(CC(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)[C@H](C(N)=O)C2)cc1 257311580 UKDYTCAPNLZBEO-QFIPXVFZSA-N 487.988 1.800 10 40 JDCB Cc1ccc(N2C(=O)/C(=C\NCCN3CCN(C(=O)c4ccccc4)CC3)C(=O)NC2=S)cc1 20479804 WSNXYTGMJFNUEV-FXBPSFAMSA-N 477.590 1.674 10 40 JDCB O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O 31170014 KQQLSXWIDDTWRR-RABNCREUSA-N 462.495 1.152 10 40 JDCB biogenic,in-vitro COc1ccc(N2CN=c3s/c(=C4\C(=O)N(C)c5ccc(C)cc54)c(=O)n3C2)cc1OC 2280299 VQKGNHITVVUZIK-VXPUYCOJSA-N 450.520 1.466 10 40 JDCB COc1cc(/C=C2/SC(=S)N(CCC(=O)NN3CCOCC3)C2=O)cc(OC)c1OC 6906101 KFGBCUAOAXWRFT-FOWTUZBSSA-N 467.569 1.667 10 40 JDCB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cc4nc(O)[nH]c4cc3N3CCOCC3)C2=O)cc1 408528674 IANDANWKKIFSLS-QINSGFPZSA-N 462.466 1.992 10 40 JDCB CCNc1nc(NCC)n2c(SCC(=O)NC[C@](C)(CC)N3CCOCC3)nnc2n1 40155452 VVDYALIFCXOUEZ-IBGZPJMESA-N 451.601 1.092 10 40 JDCB Cc1cc(C(=O)CN2CCC[C@H](C(=O)N3CCOCC3)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 12609816 HKCOTHVUJHUIBD-IBGZPJMESA-N 488.610 1.495 10 40 JDCB CCn1nccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(N(C)C)cc1)C(C(=O)OC)=C(C)N=2 13959738 WVLOMOXMFSZRCZ-ITICKHJUSA-N 451.552 1.691 10 40 JDCB COc1ccc(N2CCN(C(=O)CN(c3cc(OC)ccc3OC)S(C)(=O)=O)CC2)cc1 916540 FNECCYRMWPDTBI-UHFFFAOYSA-N 463.556 1.827 10 40 JDCB CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O 22061342 XDXDZDZNSLXDNA-OUMDZGKTSA-N 497.500 1.020 10 40 JDCB in-vitro CCCCCn1c(CN2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 57120639 KVPISQYPAQVTEG-UHFFFAOYSA-N 454.575 1.955 10 40 JDCB O=C(O)CN1C(=O)/C(=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)c2ccccc21 8821643 ADSYCTBTPDIXIL-ZCXUNETKSA-N 453.501 1.963 10 40 JDCB COc1c2c(cc3c1[C@H](CN/C=C1\C(=O)NC(=O)N(c4ccc(F)cc4)C1=O)N(C)CC3)OCO2 20410638 JPOZSMQKILBVIW-KGZWWPETSA-N 482.468 1.849 10 40 JDCB biogenic CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)N3CCOCC3)ccc21 22733988 IABYYAQHGXIQGR-NRFANRHFSA-N 466.538 1.214 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)c3cc(N4C(=O)CCS4(=O)=O)ccc3OC)CC2)cc1 11904194 PYTICDLJGSWXMF-UHFFFAOYSA-N 495.579 1.281 10 40 JDCB COc1ccc(N2CCN(C(=O)CN(c3cc([N+](=O)[O-])ccc3OC)S(C)(=O)=O)CC2)cc1 14155718 YOIBTFSQSOAJJU-UHFFFAOYSA-N 478.527 1.727 10 40 JDCB CCOC(=O)CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)OCC)C2=O)SC1=S 2088005 UWZLTTHJFKVPIN-VAWYXSNFSA-N 462.596 1.825 10 40 JDCB C[C@]1(O)CC2(CCN(Cc3cc(CCC(=O)O)ccc3O)CC2)OC[C@@H]1n1ccc(O)nc1=O 257265848 MAPNAOBOWDJSAB-CVDCTZTESA-N 473.526 1.419 10 40 JDCB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1OC 22735791 VVBSLFQIHUMPTL-QFIPXVFZSA-N 474.627 1.963 10 40 JDCB COc1c(O)cc2c(c1O)C(=O)O[C@H](C)[C@H](O)c1c(O)c(O)c(OC)c(O)c1C(=O)O[C@H](C)[C@@H]2O 31163479 CALDIMUKIDAVEP-BVDAKZFTSA-N 496.421 1.103 10 40 JDCB biogenic,in-vitro CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1 8443115 LDSWZLXBUBNHTG-ZHZULCJRSA-N 480.502 1.763 10 40 JDCB COCCN1C(=O)/C(=C/c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 2370861 NNPCFNFLHBPRPX-QINSGFPZSA-N 473.580 1.244 10 40 JDCB CCN1C(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C(=O)N=C1S 9348596 SSHZGLYTPFHBTA-HKBKRHGFSA-N 495.561 1.306 10 40 JDCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)cc1C 408527227 FMVIAAZAYVWFFG-GXDHUFHOSA-N 464.438 1.981 10 40 JDCB C/C(O)=C1/C(=O)[N+]2=C1[C@@H](C)C(=S=C1CN[C@H](C(=O)Nc3cccc(C(=O)O)c3)C1)C2=C(O)O 1560411598 GMOITFFNGGXTRE-OTYXRUKQSA-O 472.499 1.524 10 40 JDCB COc1ccc(N2CCN(CCCn3c(C)cn4c5c(=O)[nH]c(=O)n(C)c5nc34)CC2)cc1 9421594 WKPLERSWOYUYDW-UHFFFAOYSA-N 451.531 1.205 10 40 JDCB CCc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(OC)cc2)CC1 19961796 BRBVQTKCOCNMHV-DEOSSOPVSA-N 493.608 1.735 10 40 JDCB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1 13007358 NOVRTCJROSNJRG-HSZRJFAPSA-N 465.554 1.766 10 40 JDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@H](O)C[C@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1 5439936 PILBYTNNIUDJPF-HHZNLSNISA-N 485.489 1.070 10 40 JDCB C[C@@H](OC(=O)CCn1cnc2c(cnn2C)c1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 9113961 GKXOJCAANPFPNH-CQSZACIVSA-N 499.483 1.866 10 40 JDCB CN1C(=O)NC(=O)/C(=C\c2cc(Br)c(OCC(=O)O)c(Br)c2)C1=O 9310984 NPXDOZGVYPHOSN-FARCUNLSSA-N 462.050 1.767 10 40 JDCB COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3ccccc3Cl)CC2)cc1 19820894 KIGNETCAOZSELO-QFIPXVFZSA-N 499.999 1.826 10 40 JDCB CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1F 44900802 VHYCFZCEGSMJEF-UHFFFAOYSA-N 450.536 1.592 10 40 JDCB COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(I)c1OCC(=O)O 409080098 HTGSDPSDITUTFS-VZUCSPMQSA-N 476.248 1.870 10 40 JDCB COc1cc(/C=C2\SC(=S)N(CCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)C2=O)ccc1O 10232977 QFRFCAVYXCKJDI-YDRQLGOLSA-N 470.594 1.638 10 40 JDCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)c(OC)c1 409222708 DDANXDSTFQDCSA-CPNJWEJPSA-N 495.488 1.608 10 40 JDCB COc1c2c(cc3c1[C@H](CN/C=C1/C(=O)NC(=O)N(c4ccc(F)cc4)C1=O)[N+](C)(C)CC3)OCO2 2153026 VCKHSXDDMLZCCN-SFHVURJKSA-O 497.503 1.993 10 40 JDCB biogenic CCOc1cc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)c(OCC)cc1-n1cnnn1 12635178 HAICLDIYUIMHLA-UHFFFAOYSA-N 488.570 1.979 10 40 JDCB COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCc3ccncc3)c3ccco3)CC2)cc1 56946114 MMAKXORWTGUHRC-JOCHJYFZSA-N 463.538 1.979 10 40 JDCB COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@H](Cc4c[nH]c5ccccc45)C3=O)CC2)cc1 12544263 RLCUBVFPZXLKNU-JOCHJYFZSA-N 461.522 1.988 10 40 JDCB CCC(=O)Nc1ccc2c(c1)CC1(C(=O)NC(=O)NC1=O)[C@@H]1CN(c3ccc(OC)cc3)CCN21 18089379 WPURZNKHMWVLOX-FQEVSTJZSA-N 477.521 1.647 10 40 JDCB CCN(C(=O)CN1C(=O)/C(=C/c2ccccc2OC)SC1=S)[C@H]1CCS(=O)(=O)C1 54360631 DCJVPOVCBPARPN-FBKCMUNRSA-N 454.595 1.932 10 40 JDCB Nc1ccc(N([C@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 575424835 ONMWNILXDHZOHR-HOTGVXAUSA-N 451.353 1.929 10 40 JDCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(C)nc3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 8843445 HYQQHBXXDHWBBE-PRWBYUBPSA-N 465.579 1.906 10 40 JDCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)N3CCOCC3)ccc21 16838412 NGFVKRZQLOVFKJ-JOCHJYFZSA-N 480.565 1.968 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(C)c(C(=O)N4CCOCC4)c3)CC2)cc1 408618940 GWRJRKWKHFSBAP-UHFFFAOYSA-N 459.568 1.987 10 40 JDCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)CC2)cc1 8826214 RPMNYKJQTAAIHS-UHFFFAOYSA-N 467.931 1.502 10 40 JDCB CCc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(OC)cc2)CC1 19961801 BRBVQTKCOCNMHV-XMMPIXPASA-N 493.608 1.735 10 40 JDCB NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br 409222103 BBGJOPJDXXFTJF-NTUHNPAUSA-N 489.238 1.888 10 40 JDCB CCN(CC)CCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(OC)cc2)CC1 9829647 PKUFYWVYBNMFOH-JOCHJYFZSA-N 471.602 1.726 10 40 JDCB COc1cccc(N2C(=O)NC(=O)/C(=C/NC[C@H]3c4c(cc5c(c4OC)OCO5)CCN3C)C2=O)c1 20113044 NHGYSPDUAZAMPI-PNDHZVEESA-N 494.504 1.718 10 40 JDCB biogenic COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCc3cccnc3)c3ccco3)CC2)cc1 56946108 CPJZWVJTNMLHGU-QFIPXVFZSA-N 463.538 1.979 10 40 JDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@H](O)C[C@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@H](C)O1 5439938 PILBYTNNIUDJPF-WBCGZUNKSA-N 485.489 1.070 10 40 JDCB CCOc1ccc(-n2ccn(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)c(=O)c2=O)cc1 67256126 FTRVUDWMNAELHC-UHFFFAOYSA-N 464.522 1.755 10 40 JDCB CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2C[C@H](N)[C@@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O 253386553 XDXDZDZNSLXDNA-AMMFDBJPSA-N 497.500 1.020 10 40 JDCB CN1C(=O)/C(=C\c2cn(CC(N)=O)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 8777994 KPIZMWVBXHGCGG-NDENLUEZSA-N 480.546 1.665 10 40 JDCB COc1ccc(N2CCN(C(=O)Cn3c(=O)n(C)c(=O)c4sc(N5CCCC5)nc43)CC2)cc1 67226399 BVKCTNOBGWSLDG-UHFFFAOYSA-N 484.582 1.114 10 40 JDCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 10232871 YGXAJWXKAXSODG-HNDQUVLASA-N 454.595 1.932 10 40 JDCB CCN1C(=O)/C(=C/c2c(N3CCN(CCO)CC3)nc3c(C)cccn3c2=O)SC1=S 20103127 PFHBLEJKTORJMO-SSZFMOIBSA-N 459.597 1.338 10 40 JDCB COc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4CC4(C(=O)N(C)C(=O)N(C)C4=O)[C@@H]3C2)cc1 9088560 IGMKJJPDTHCJJK-FQEVSTJZSA-N 479.493 1.892 10 40 JDCB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)c2ccc3c(c2)CCCN3C)CC1 22735077 MFRNLGPSFZGLNM-QHCPKHFHSA-N 493.608 1.884 10 40 JDCB COc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3nc(O)[nH]c3cc2N2CCN(C)CC2)C1=O 408526257 AMZKNOJPQGHVNG-BUHFOSPRSA-N 491.508 1.608 10 40 JDCB COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C3=O)CC2)cc1 12544262 RLCUBVFPZXLKNU-QFIPXVFZSA-N 461.522 1.988 10 40 JDCB CC(=O)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2C[C@@H](N)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1ccccc1C3=O 144197977 XDXDZDZNSLXDNA-DNLRRQDBSA-N 497.500 1.020 10 40 JDCB COc1cc(N2CN=c3s/c(=C4\C(=O)Nc5ccc(Cl)cc54)c(=O)n3C2)cc(OC)c1OC 2335660 LWSAJOZDVWXZQY-ZPHPHTNESA-N 486.937 1.795 10 40 JDCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N(CCO)CCO)cc1 95470970 HMVPGNXHFMGNCN-PXLXIMEGSA-N 472.567 1.997 10 40 JDCB CN(CCCC(=O)N1CCOCC1)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 10383383 AJYNODMZYXPTOY-UHFFFAOYSA-N 456.520 1.722 10 40 JDCB COCCCN1C(=O)[C@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 103517446 PYERTANNXKMVBR-FRALIIAYSA-N 485.924 1.751 10 40 JDCB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 35375340 ODYPHDYPIVVQSP-LIBFDHGXSA-N 453.470 1.999 10 40 JDCB CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OS(C)(=O)=O 20206691 QBTTWKREAPXTEO-GXGXXEIJSA-N 486.553 1.435 10 40 JDCB CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@@H](N)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1ccccc1C3=O 40555045 XDXDZDZNSLXDNA-LNJIVKIPSA-N 497.500 1.020 10 40 JDCB COc1c(O)c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O 252516743 WJUHXOKEYUJCMF-IWTLDAFDSA-N 493.553 1.200 10 40 JDCB CN1CCN([C@H](CNC(=O)C(=O)NCc2cccs2)c2ccc3c(c2)CCCN3C)CC1 22735105 FTVHOFCPKVTBLL-JOCHJYFZSA-N 455.628 1.852 10 40 JDCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 107570429 VLJBYMVEVUJJSZ-LGMDPLHJSA-N 452.423 1.294 10 40 JDCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(N)=O 409224542 KXPYNHVOARYGHZ-OVCLIPMQSA-N 454.395 1.524 10 40 JDCB COc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4CC4(C(=O)N(C)C(=O)N(C)C4=O)[C@H]3C2)cc1 9088559 IGMKJJPDTHCJJK-HXUWFJFHSA-N 479.493 1.892 10 40 JDCB CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](N)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1ccccc1C3=O 169302255 XDXDZDZNSLXDNA-WAUSPXMUSA-N 497.500 1.020 10 40 JDCB in-vitro COc1ccc(N2CCN(CC(=O)N3CCN(c4ccc(F)cc4)CC3)[C@H](C(N)=O)C2)cc1 2037844302 SGLCKDGYGFROQY-QFIPXVFZSA-N 455.534 1.159 10 40 JDCB COc1ccc(N2CCN(C3=NC(=O)C[C@H](C(=O)Nc4ccc5c(c4)OCCO5)N3)CC2)cc1 14607022 VBHYSOCSNVXSRB-LJQANCHMSA-N 465.510 1.472 10 40 JDCB COc1ccc(N2CCN(C(=O)c3cccc(OCCN4CCOCC4)c3)[C@@H](C(N)=O)C2)cc1 257209426 BQIDUAGGRMFXDH-HSZRJFAPSA-N 468.554 1.223 10 40 JDCB COc1c(O)cc2c(c1O)C(=O)O[C@H](C)[C@H](O)c1c(O)c(O)c(OC)c(O)c1C(=O)O[C@@H](C)[C@H]2O 31163491 CALDIMUKIDAVEP-CYCZDISDSA-N 496.421 1.103 10 40 JDCB biogenic,in-vitro O=C1NC(=O)N(c2ccc(I)cc2)C(=O)/C1=C\NCCN1CCCCC1 23468489 RJCXMOKTPAPZLD-QINSGFPZSA-N 468.295 1.833 10 40 JDCB COc1ccc(N2CCN(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)[C@H](C(=O)N(C)C)C2)cc1 257274855 NMWZUEPYEWJKIV-FQEVSTJZSA-N 452.515 1.082 10 40 JDCB COc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1 2209798 WOLWGNMJDXDABB-UHFFFAOYSA-N 460.556 1.631 10 40 JDCB COc1c2c(cc3c1[C@@H](CN/C=C1/C(=O)NC(=O)N(c4ccc(F)cc4)C1=O)[N+](C)(C)CC3)OCO2 2153021 VCKHSXDDMLZCCN-GOSISDBHSA-O 497.503 1.993 10 40 JDCB biogenic COc1ccc(N(CCC(N)=O)CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 8720313 HNWZZKPLPROEBW-UHFFFAOYSA-N 476.555 1.037 10 40 JDCB CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O 43381742 XDXDZDZNSLXDNA-IKBNTCJRSA-N 497.500 1.020 10 40 JDCB in-vitro O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)NCCO)cc1 95471023 TUOMORZLKAIIBK-WJDWOHSUSA-N 464.887 1.189 10 40 JDCB COCCCN1C(=O)/C(=C/c2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 8856315 QZXWOGUHXPPSQI-SQFISAMPSA-N 464.569 1.353 10 40 JDCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)N2CCOCC2)cc1 22998812 UGGYYDDYKICHOQ-HXUWFJFHSA-N 454.527 1.287 10 40 JDCB Cc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c(C)n1-c1ccc2c(c1)OCO2 35279046 SBAVEJFIBAVKDN-ZZXKWVIFSA-N 480.565 1.839 10 40 JDCB O=C1NC(=O)C(=Cc2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1 408767689 ZZUWLJPMMDDVCZ-UHFFFAOYSA-N 496.251 1.874 10 40 JDCB COc1ccc(-n2nnnc2CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 16955110 JDDCCBPIIMQTIS-UHFFFAOYSA-N 456.528 1.776 10 40 JDCB COCCN1C(=O)/C(=C/c2c(NCCN3CCOCC3)nc3ccccn3c2=O)SC1=S 20102091 DLXJXTMSLSJUEI-PEZBUJJGSA-N 475.596 1.286 10 40 JDCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408856495 IYCKJLGUTJFCRK-GMCKNXKJSA-N 468.491 1.564 10 40 JDCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCC(N)=O 108934271 VUCJKSFWOSNHEM-SDQBBNPISA-N 489.291 1.660 10 40 JDCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\NC12CN3CN(CN(C3)C1)C2 837974 ZOSXJRRWDIJWSM-SOFYXZRVSA-N 464.311 1.045 10 40 JDCB COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733979 GXLRXCAGPNUBLB-HSZRJFAPSA-N 452.555 1.493 10 40 JDCB COc1ccc(N2CCN(Cc3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccc(F)cc3)CC2)cc1 57128939 IFIOTVPRWBSFSO-UHFFFAOYSA-N 492.555 1.952 10 40 JDCB O=C(CCc1nc(-c2nc[nH]n2)no1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 78718637 QUBRXFMJFDMMGX-UHFFFAOYSA-N 451.409 1.959 10 40 JDCB COc1ccc(N2CCN(CCCNC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 40017222 WXSIRMOLATZIFU-HXUWFJFHSA-N 474.627 1.999 10 40 JDCB COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCCCN3CCCC3=O)c3ccco3)CC2)cc1 56946229 ZIMDQOHSXKBPBG-QFIPXVFZSA-N 497.596 1.396 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(N4C(=O)CCC4=O)c3)CC2)cc1 224145615 JQPIBPRIEHJIRM-UHFFFAOYSA-N 459.524 1.868 10 40 JDCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408753478 MYFHUDFXNINNGZ-UHFFFAOYSA-N 461.408 1.511 10 40 JDCB Nc1ccc(N([C@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2ccc(Br)cc2)cc1 575422641 NUVPWYNVVPSANS-JKSUJKDBSA-N 461.359 1.385 10 40 JDCB CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@@H](N)[C@H](O)[C@@H](C)O2)C1)C(=O)c1ccccc1C3=O 22061345 XDXDZDZNSLXDNA-ZDAQQMTJSA-N 497.500 1.020 10 40 JDCB in-vitro CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccc(F)cc2)c2ccc3c(c2)CCCN3C)CC1 22735041 QTOLPSQGKUCBTC-DEOSSOPVSA-N 467.589 1.929 10 40 JDCB COc1ccc2c3c(n(CCCN(CCO)CCO)c(=O)c2c1OC)-c1ccccc1C3=O 604405764 VJXJZEUVXYEXKJ-UHFFFAOYSA-N 452.507 1.907 10 40 JDCB biogenic CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)c2ccc3c(c2)CCCN3C)CC1 22735047 VHVAVMKAMHZMEV-QFIPXVFZSA-N 479.581 1.841 10 40 JDCB COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OS(C)(=O)=O 20205945 FARQQUDXIAZWPH-RPEOLDRNSA-N 492.944 1.308 10 40 JDCB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 223625051 NTOCRFSCCDRHHT-GOSISDBHSA-N 460.600 1.918 10 40 JDCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(N)=O)C2=O)cc1 409222349 BXCHSIUQJYSRLI-OQLLNIDSSA-N 474.267 1.988 10 40 JDCB COCCN1C(=O)/C(=C/c2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S 20102991 RQEFRJJBJOLRER-ICFOKQHNSA-N 489.623 1.676 10 40 JDCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)NC(CO)(CO)CO)cc1 101148871 VJEPSSJIQCFVRI-VXLYETTFSA-N 494.957 1.053 10 40 JDCB COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCCCN3CCOCC3)c3ccco3)CC2)cc1 9828962 XMNZJOCIBAOBIY-QHCPKHFHSA-N 499.612 1.106 10 40 JDCB O=C1NC(=S)NC(=O)C1=CNc1ccc(-c2ccc(NC=C3C(=O)NC(=S)NC3=O)cc2)cc1 3066992 DVQJTTWAPZFGJA-UHFFFAOYSA-N 492.542 1.007 10 40 JDCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/NC12CN3CN(CN(C3)C1)C2 101112527 ZOSXJRRWDIJWSM-OMCISZLKSA-N 464.311 1.045 10 40 JDCB COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)cc1 9284028 QAMTXPJUOZNEFE-GOSISDBHSA-N 495.532 1.711 10 40 JDCB COCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 20548491 PYERTANNXKMVBR-PAXILDSZSA-N 485.924 1.751 10 40 JDCB COc1ccc(N2CCN(CC(=O)Nc3ccc(N4CCOCC4)cc3)[C@@H](C(N)=O)C2)cc1 1848354005 GKWGODHKAMYICF-JOCHJYFZSA-N 453.543 1.146 10 40 JDCB CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(CCO)CC3)nc3ccccn3c2=O)SC1=S 20057979 AQBKPVZAVRBXGD-ARSNJYAISA-N 473.624 1.809 10 40 JDCB COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)cc1 8496730 MJTIRGAAZAAKCI-PDGQHHTCSA-N 467.459 1.842 10 40 JDCB COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H](O)CN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 8687809 WAXQLIVNBODIIL-RXVVDRJESA-N 490.538 1.076 10 40 JDCB CCN(C(=O)CN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 28296997 GKANGXZNTZYWKK-DWKHYPNZSA-N 454.595 1.932 10 40 JDCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(N)=O 15224371 QIGSQDKZAJAAQN-RIYZIHGNSA-N 474.267 1.988 10 40 JDCB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)cc1 408527847 GOXISJYPTIBKHU-RAXLEYEMSA-N 450.411 1.672 10 40 JDCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)cc1 9221334 WNDMHAWQXCKFGM-LJQANCHMSA-N 463.538 1.769 10 40 JDCB O=C([C@@H]1CN(C(=O)/C=C/c2cn(Cc3ccccc3)nn2)c2ccccc2O1)N1CCOCC1 9580994 MHGPFTWCBVBMNY-YSESTWPTSA-N 459.506 1.993 10 40 JDCB CCOc1ccc(NC(=S)NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 9708811 VVZSYQLYCIPVSZ-UHFFFAOYSA-N 460.564 1.257 10 40 JDCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(NCCCN3CCOCC3)nc12 13427400 IYDDHRIMUURVAT-SSZFMOIBSA-N 459.597 1.968 10 40 JDCB CCS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCCO2 13669946 KGPLQSHKSFNZQR-UHFFFAOYSA-N 475.567 1.767 10 40 JDCB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)c2ccc3c(c2)CCN3C)CC1 22734281 OWLFNBKHGKVXRC-NRFANRHFSA-N 465.554 1.451 10 40 JDCB COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NC[C@H]3CCCO3)c3ccco3)CC2)cc1 56946144 IQTYCSKDJDARAX-NHCUHLMSSA-N 456.543 1.563 10 40 JDCB COc1ccc2c3c(n(Cc4cc(=O)n(C)c(=O)n4C)c(=O)c2c1OC)-c1ccccc1C3=O 604404415 GQVBWKPCCVMDCB-UHFFFAOYSA-N 459.458 1.676 10 40 JDCB biogenic COc1cc(N2CN=c3s/c(=C4\C(=O)Nc5ccccc54)c(=O)n3C2)cc(OC)c1OC 2356894 DNIQMPXKACOHFN-ZPHPHTNESA-N 452.492 1.142 10 40 JDCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 95471576 RUMREHMFNSFGGK-AQTBWJFISA-N 490.925 1.940 10 40 JDCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)c(C)c1 408534906 RRHLAWMBZFICNS-JLHYYAGUSA-N 464.438 1.981 10 40 JDCB CN(C)CCCNc1cc(N2CCN(CCO)CC2)c(N)c2c1C(=O)c1ccccc1C2=O 9410822 JEBHTHCKYPBCQQ-UHFFFAOYSA-N 451.571 1.522 10 40 JDCB CC(C)(C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 13572269 RVQMDJULQXGYBV-UNKHORCTSA-N 453.470 1.999 10 40 JDCB CCc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 20676723 JBBWYVBSLRTZSD-XMMPIXPASA-N 493.608 1.735 10 40 JDCB CN(C)c1ccc(CN(C(=O)c2nc(S(C)(=O)=O)ncc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 16806403 KISNPHRTRQPYQQ-HNNXBMFYSA-N 487.003 1.429 10 40 JDCB NC(=O)C[C@@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21 4176861 DBYISQBSXCCVQB-FBROZUCGSA-N 459.458 1.694 10 40 JDCB COCCN1C(=O)/C(=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)C(C(=O)OC)=C1C 58903820 BXWUEZKUAZWPNM-KYYPIKSYSA-N 458.511 1.680 10 40 JDCB COc1ccccc1N1C(=O)NC(=O)/C(=C/NC[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)C1=O 2145854 SZNOMHVISQKAQU-JBXOJTMHSA-N 494.504 1.718 10 40 JDCB biogenic O=C(/C=C\c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O 13385605 YDDGKXBLOXEEMN-IEWYOAORSA-N 474.374 1.228 10 40 JDCB endogenous,in-man COc1ccc(N2CCN(C(=O)c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)CC2)cc1 14291888 QIDMXPJOTREYMK-UHFFFAOYSA-N 475.567 1.687 10 40 JDCB CCOc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc4c(c1)OCO4)CN=3)C(=O)N2 2222095 CMDQYQLFPDCQDZ-HNENSFHCSA-N 450.476 1.243 10 40 JDCB CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OS(C)(=O)=O)cc3)C(=N)N21 20207067 QLLZUBIPNODLMU-ILZPQDLUSA-N 470.554 1.672 10 40 JDCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1O[C@H](C)C(=O)O 409246852 FISMVVSQPBLBDS-GYBQTFJISA-N 454.391 1.942 10 40 JDCB CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](CCC(N)=O)C(=O)O)C2=O)cc1OC 8870168 NVCRRBJMVJANQT-XDUBLRSXSA-N 495.579 1.520 10 40 JDCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 8843438 PJTUVKGLMGLLOR-OBXYEHHASA-N 451.552 1.598 10 40 JDCB CCOc1ccc(N2CN=c3s/c(=C4\C(=O)Nc5ccc(OCC)cc54)c(=O)n3C2)cc1 2259226 AJCBNZXRRJGOJX-VXPUYCOJSA-N 450.520 1.913 10 40 JDCB CCn1c(=O)c(C(=O)CN2CCN(c3ccc(OC)cc3)CC2)c(N)n(Cc2ccccc2)c1=O 36405676 MSWJNICHXAJJCF-UHFFFAOYSA-N 477.565 1.674 10 40 JDCB CN(C)c1ccc([C@@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)N2CCOCC2)cc1 19819070 PTVZAEFKWGWSOS-JOCHJYFZSA-N 486.594 1.622 10 40 JDCB COc1ccc(N2CCN(C(=O)CSc3nnnn3-c3ccc4c(c3)OCO4)CC2)cc1 932443 SHGGCVBKRGJHTO-UHFFFAOYSA-N 454.512 1.841 10 40 JDCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)C2=O)cc1 8711805 ZFSQIEQOSGNUSJ-UYRXBGFRSA-N 495.488 1.608 10 40 JDCB COc1ccc2c3c(n(C[C@@H](O)CN4CCN(C)CC4)c(=O)c2c1OC)-c1ccccc1C3=O 604404873 HOEPYZQNWFRGEE-INIZCTEOSA-N 463.534 1.838 10 40 JDCB biogenic COc1ccc(N2CCN(Cc3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccccc3)CC2)cc1 57396008 OCANQQDOFJVGLM-UHFFFAOYSA-N 460.538 1.802 10 40 JDCB COc1ccc(N2CCN(CC3(O)CCN(c4cccc(OC)c4)CC3)[C@H](C(N)=O)C2)cc1 257332559 XXVPFCNPCOIQBV-QHCPKHFHSA-N 454.571 1.711 10 40 JDCB Cc1cccc(-n2c(=O)[nH]c(O)c(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2=O)c1 100925620 HACIQUIAIOHEQM-GDNBJRDFSA-N 466.837 1.860 10 40 JDCB COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733982 GXLRXCAGPNUBLB-QHCPKHFHSA-N 452.555 1.493 10 40 JDCB COc1ccc(N2CCN(CC(=O)Nc3ccc(N4CCN(C)CC4)cc3)[C@@H](C(N)=O)C2)cc1 257344994 ZZMQGKUOPYMQLA-HSZRJFAPSA-N 466.586 1.062 10 40 JDCB COC(=O)COc1c(Br)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC 59139562 LKPUUXYTZXASBO-UHFFFAOYSA-N 457.302 1.608 10 40 JDCB CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCOC)C2=O)CC1 12930588 YUKQSJHWCSILLZ-VKAVYKQESA-N 473.624 1.992 10 40 JDCB COc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc(OC)c1OC 9304519 DNTQQRFQPDPWNB-QNNYNMDTSA-N 473.511 1.580 10 40 JDCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1ccc(S(N)(=O)=O)cc1 20287297 VQBBUUGTOXKRIF-STZFKDTASA-N 472.523 1.672 10 40 JDCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 57434714 YGXAJWXKAXSODG-LUYJPIOASA-N 454.595 1.932 10 40 JDCB COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3ccc(C)c(C)c3)CC2)cc1 20802885 OOHRVANCIRYILP-DEOSSOPVSA-N 493.608 1.790 10 40 JDCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCC(=O)N1CCOCC1 33660070 LJIFJZMYOSBXFT-PDGQHHTCSA-N 467.478 1.403 10 40 JDCB COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3cccc(C)c3)CC2)cc1 54313895 LUBRKXKVFVQHQT-HSZRJFAPSA-N 479.581 1.481 10 40 JDCB CCN(C(=O)CN1C(=O)/C(=C/c2ccccc2OC)SC1=S)[C@@H]1CCS(=O)(=O)C1 54360630 DCJVPOVCBPARPN-KWZJRMENSA-N 454.595 1.932 10 40 JDCB Cc1cc(C(=O)CSc2nnc(N)[nH]2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 9632153 MWKQGQZBXWWLDT-UHFFFAOYSA-N 476.584 1.790 10 40 JDCB CCn1c(=O)oc2cc(NC(=O)CN3CCN(c4ccc(OC)cc4)C[C@H]3C(=O)N(C)C)ccc21 257231615 GHLLPRAGMUDMAA-NRFANRHFSA-N 481.553 1.841 10 40 JDCB CN(C)c1ccc([C@H](CNC(=O)C(=O)NCCN2CCOCC2)N2CCc3ccccc3C2)cc1 22999047 IPPSBFWIDKEVHU-VWLOTQADSA-N 479.625 1.417 10 40 JDCB COCCN1C(=O)[C@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 8971707 BFLLMGXTOGRSPH-LPSTTYAQSA-N 471.897 1.361 10 40 JDCB COc1c(O)c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O 100796420 WJUHXOKEYUJCMF-HTNVJOEWSA-N 493.553 1.200 10 40 JDCB biogenic CC(=O)O[C@@H]1c2c3c(n(C#N)c2[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]1OC(C)=O)C(=O)c1c(O)cccc1C3=O 34828602 BQWLWNOFIHHESO-MOUTVQLLSA-N 496.428 1.203 10 40 JDCB COCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16022017 CSNLNONVRFILBH-XXPWESIGSA-N 451.479 1.097 10 40 JDCB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 35375336 ODYPHDYPIVVQSP-WNZHRVCPSA-N 453.470 1.999 10 40 JDCB COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCc3ccccn3)c3ccco3)CC2)cc1 56946105 XIVCVZBLPLWCKM-QFIPXVFZSA-N 463.538 1.979 10 40 JDCB COc1c2c(cc3c1[C@@H](CN/C=C1/C(=O)NC(=S)N(Cc4ccccc4)C1=O)N(C)CC3)OCO2 19363580 ZJTGPMQFTPEPJV-UWKDKTGGSA-N 494.573 1.870 10 40 JDCB biogenic COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)N4CCSCC4)co3)CC2)cc1 36359171 VNZMJGXZXAMGPY-UHFFFAOYSA-N 459.568 1.925 10 40 JDCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCC(=O)OC 408913479 VCEFCKVNINQZIK-BJMVGYQFSA-N 457.302 1.656 10 40 JDCB O=C(C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N3CCOCC3)cc1CNCC2=O)NC1CC1 67878851 IPTZXYGDCZCXLS-PMACEKPBSA-N 470.614 1.919 10 40 JDCB CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@H]2C[C@@H](N)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1ccccc1C3=O 3830922 XDXDZDZNSLXDNA-ONQNDWGISA-N 497.500 1.020 10 40 JDCB O=C1[C@H]2[C@@H](C(=O)N1C[C@H]1CCCO1)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2c(Cl)cccc21 20572365 QTYHDEYVUZUWMA-RMGAEQRLSA-N 497.935 1.893 10 40 JDCB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1cn(C)nc1C 22532386 QGVHEHLUFCSNMQ-BUDOKORBSA-N 451.552 1.516 10 40 JDCB COc1ccc(N2CCN(C(=O)CN(c3ccc(OC)c(OC)c3)S(C)(=O)=O)CC2)cc1 9246677 RCVKVCOJAVXADX-UHFFFAOYSA-N 463.556 1.827 10 40 JDCB O=C1[C@H]2[C@@H](C(=O)N1C[C@@H]1CCCO1)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2c(Cl)cccc21 15972307 QTYHDEYVUZUWMA-HPDGCZPKSA-N 497.935 1.893 10 40 JDCB COc1ccc(N2CCN(CC(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)[C@@H](C(N)=O)C2)cc1 257311579 UKDYTCAPNLZBEO-JOCHJYFZSA-N 487.988 1.800 10 40 JDCB COc1ccc(N2CCN(C(=O)CCc3nnc4n(C)c(=O)c5sccc5n34)CC2)cc1 8592278 CGUKYUMSRROTHU-UHFFFAOYSA-N 452.540 1.933 10 40 JDCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1O[C@H](C)C(=O)O 409009204 ZNUAOKFLBJKPRA-LLUUXILJSA-N 454.391 1.942 10 40 JDCB COc1ccc(N2CCN(C3=NC(=O)C[C@@H](C(=O)Nc4ccc5c(c4)OCCO5)N3)CC2)cc1 14607021 VBHYSOCSNVXSRB-IBGZPJMESA-N 465.510 1.472 10 40 JDCB CCOc1ccccc1-n1ccn(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(=O)c1=O 67256722 IGCDNFKKGMSQLZ-UHFFFAOYSA-N 464.522 1.755 10 40 JDCB COc1ccc(N2CCN(C(=O)CN(c3ccc(OC)cc3OC)S(C)(=O)=O)CC2)cc1 916608 YFJHYUSLONSJER-UHFFFAOYSA-N 463.556 1.827 10 40 JDCB COCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 408601013 DLULXWAZFWMUIQ-UHFFFAOYSA-N 463.556 1.348 10 40 JDCB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCC(=O)N2CCOCC2)c1 33482525 KQDINXSMOQDFAI-ZHZULCJRSA-N 450.495 1.452 10 40 JDCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCc1ccc(S(N)(=O)=O)cc1 20287304 LSLCHLJISWZBJS-JCMHNJIXSA-N 486.550 1.715 10 40 JDCB COc1ccc(N2CCN(C(=O)COC(=O)CSCC(=O)Nc3cc(C)on3)CC2)cc1 9633187 YBJVMGYSVAMDRB-UHFFFAOYSA-N 462.528 1.555 10 40 JDCB CCOC(CNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(OC)cc2)CC1)OCC 56946193 WIGMLMZJNOFJOH-OAQYLSRUSA-N 488.585 1.783 10 40 JDCB CCN1C(=O)/C(=C/c2c(C)n(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)C(=O)NC1=S 2178846 AMKFXZQNTYUFQD-LZNAANCOSA-N 454.552 1.892 10 40 JDCB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])c2ccc(N(C)C)cc2)CC1 22999009 QUENRVJBJVNQHH-OAQYLSRUSA-N 454.531 1.704 10 40 JDCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 408948892 HIKVKRSEMMSKNX-OQLLNIDSSA-N 466.406 1.827 10 40 JDCB O=c1c(O[C@@H]2O[C@H]([C](O)CO)C(O)=C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 1560408655 IYDUYSVSOHJVRU-CTNGQTDRSA-N 461.355 1.610 10 40 JDCB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cc4nc(O)[nH]c4cc3N3CCN(C)CC3)C2=O)cc1 408532819 RDJGKSQOPRPVAF-SSZFMOIBSA-N 491.508 1.608 10 40 JDCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1=O 408533039 NXAIWLADYKMQRU-ACCUITESSA-N 464.438 1.926 10 40 JDCB COc1ccc(N2CCN(CC(=O)Nc3ccc(N4CCOCC4)cc3)[C@H](C(N)=O)C2)cc1 1848354006 GKWGODHKAMYICF-QFIPXVFZSA-N 453.543 1.146 10 40 JDCB CC(=O)Nc1cc(S(=O)(=O)c2cc(CN(C)C)c(O)c(NC(C)=O)c2)cc(CN(C)C)c1O 1682915 UHECKJYMTRBIKH-UHFFFAOYSA-N 478.571 1.971 10 40 JDCB COCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16022016 CSNLNONVRFILBH-QJHDXQOESA-N 451.479 1.097 10 40 JDCB COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc(OC)c1O 102499273 JUUFZQPZUSHSQB-DEOCGYTFSA-N 459.484 1.277 10 40 JDCB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408760390 XVWYEIILUUXRLE-UHFFFAOYSA-N 463.449 1.285 10 40 JDCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NCCOCCO)nc12 8858090 SBNDAZXQAWPEJR-ZKMNFCBKSA-N 490.607 1.804 10 40 JDCB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408755499 OAVYPPWPGNZMEV-UHFFFAOYSA-N 463.449 1.285 10 40 JDCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(N3CCOCC3)nc12 1802911 YLSNIRIUBOHRJX-KAMYIIQDSA-N 460.537 1.515 10 40 JDCB COc1ccc(N2CCN(C(=O)Cn3nc4n(C(C)C)c5ccccc5n4c(=O)c3=O)CC2)cc1 1332670 BVUZABANRURAOA-UHFFFAOYSA-N 476.537 1.749 10 40 JDCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(N)=O 409224059 IRJDQUUTTBGUMV-AWNIVKPZSA-N 474.813 1.787 10 40 JDCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OS(C)(=O)=O)c(OC)c3)C(=O)N=C2S1 41084006 NUTAQUIESQSOOF-XQVAPKGHSA-N 472.526 1.045 10 40 JDCB CCOc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(OC)c(OC)c1)CN=3)C(=O)N2 2342791 UORYTFZSULUOJY-VXPUYCOJSA-N 466.519 1.532 10 40 JDCB CCc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 20676718 JBBWYVBSLRTZSD-DEOSSOPVSA-N 493.608 1.735 10 40 JDCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408762132 JGYKAINQDVXSQU-UHFFFAOYSA-N 477.476 1.676 10 40 JDCB COc1cccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c1OCC(=O)N1CCOCC1 409119918 UIRGKEQPGZLQGA-RVDMUPIBSA-N 466.537 1.609 10 40 JDCB NS(=O)(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)o2)cc1 3214571 KOTHBZNIJDYYPY-RGZVIEDOSA-N 484.602 1.982 10 40 JDCB COc1ccc(N2CCN(c3cnn(-c4ccc(S(N)(=O)=O)cc4)c(=O)c3Cl)CC2)cc1 9127249 WTFSCVQRZVVTPI-UHFFFAOYSA-N 475.958 1.869 10 40 JDCB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2=O)c1 16349466 MYHQWEGYBSSXED-RGEXLXHISA-N 470.507 1.595 10 40 JDCB CNS(=O)(=O)c1cc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)n[nH]2)ccc1OC 21806270 GGOMRQAXLQLIRK-UHFFFAOYSA-N 485.566 1.964 10 40 JDCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1C(=O)N1CCOCC1 13613623 SZQJBPXPIPUSFK-UHFFFAOYSA-N 475.567 1.483 10 40 JDCB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(c4ccc(OC)cc4)CC3)N2)cc1 8758211 ZIOFMPLHTLHOFZ-NRFANRHFSA-N 479.537 1.877 10 40 JDCB NS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CC(=O)O)C(=O)O)C3=O)o2)cc1 33568177 WEABFHOLFYHSCQ-AISSWFOISA-N 482.517 1.723 10 40 JDCB COc1ccc(N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)cc1 9713573 JAJQKKWTWUDFFC-UHFFFAOYSA-N 462.528 1.951 10 40 JDCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCC(=O)N1CCOCC1 33654317 LUSJFMFBKHESSP-AQTBWJFISA-N 452.423 1.294 10 40 JDCB COc1ccc(N2CCN(Cc3nc4c(c(=O)[nH]c(=O)n4C)n3CCc3ccccc3)CC2)cc1 57389467 KCFWKUBHLUCBBL-UHFFFAOYSA-N 474.565 1.997 10 40 JDCB COc1ccc(N2CCN(C(=O)[C@H]3C[C@H](O)CN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 8687810 WAXQLIVNBODIIL-GHTZIAJQSA-N 490.538 1.076 10 40 JDCB COc1cc(N2CN=c3s/c(=C4\C(=O)N(C)c5ccc(C)cc54)c(=O)n3C2)cc(OC)c1OC 9379779 GXCQBIMOAMRPNH-VZCXRCSSSA-N 480.546 1.474 10 40 JDCB CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@H]2C[C@@H](N)[C@H](O)[C@@H](C)O2)C1)C(=O)c1ccccc1C3=O 3830924 XDXDZDZNSLXDNA-NEDJOTIPSA-N 497.500 1.020 10 40 JDCB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1OC 22734438 CNQAQXNVYUILAO-QFIPXVFZSA-N 481.597 1.740 10 40 JDCB O=C(O)C1=NN(c2ccccc2S(=O)(=O)O)C(=O)[C@H]1/N=N\c1ccccc1S(=O)(=O)O 104039822 AYEVOOKBKXPJTQ-FKEVTRRJSA-N 468.425 1.120 10 40 JDCB CN1CCN([C@@H](CNC(=O)C(=O)NCc2cccs2)c2ccc3c(c2)CCCN3C)CC1 22735101 FTVHOFCPKVTBLL-QFIPXVFZSA-N 455.628 1.852 10 40 JDCB COc1cc(N2CN=c3s/c(=C4\C(=O)N(C)c5ccccc54)c(=O)n3C2)cc(OC)c1OC 2328962 MMOGDBGHZZRQGG-ZZEZOPTASA-N 466.519 1.166 10 40 JDCB Cc1cc(C(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 9594100 NWFCKPUXFKKBRS-UHFFFAOYSA-N 488.566 1.628 10 40 JDCB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c(OC)c1 22733991 TWDVPFPGLYYRFC-JOCHJYFZSA-N 468.554 1.824 10 40 JDCB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(C)(=O)=O 13612265 ZZHPQPDTXBOGQF-UHFFFAOYSA-N 462.528 1.822 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(N4C(=O)[C@H](C)CS4(=O)=O)cc3)CC2)cc1 11904150 RNBQPFHWUNXENP-MRXNPFEDSA-N 479.580 1.519 10 40 JDCB O=C1/C(=C\c2c(N3CCN(CCO)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 27016758 YPJICRNXFIFDSQ-NBVRZTHBSA-N 497.602 1.803 10 40 JDCB O=C(O)[C@@H](Cc1ccc(O)c(O)c1)NS(=O)(=O)c1ccc(I)cc1 16429109 FXDMVHWUHPZISC-GFCCVEGCSA-N 463.249 1.677 10 40 JDCB CCN1C(=O)C(=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)C(=O)N(CC)C1=S 4106843 ZTTMREHCAGOZLI-UHFFFAOYSA-N 454.552 1.879 10 40 JDCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(N)=O 9259585 QIGSQDKZAJAAQN-ZSOIEALJSA-N 474.267 1.988 10 40 JDCB COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCCCn3ccnc3)c3ccco3)CC2)cc1 9828995 FUSNUPFDNJRHMO-JOCHJYFZSA-N 480.569 1.671 10 40 JDCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 100397182 QDHNYPYKOBNGCY-YVGNARHYSA-N 468.878 1.913 10 40 JDCB O=C1CCCN2C(=O)C(=C3SC(=S)N(CCCC(=O)N4CCN1CC4)C3=O)SC2=S 585680201 SSFPIDXIKZITRI-UHFFFAOYSA-N 484.650 1.163 10 40 JDCB CS(=O)(=O)Oc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl 20206309 GUTPVOWEMKZVGX-CASMWYGASA-N 462.918 1.300 10 40 JDCB O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)O)cc1 100077542 RFKITWRHKUYMRJ-FKEVTRRJSA-N 468.425 1.120 10 40 JDCB COc1ccc2c3c(n(C[C@@H](O)CN4CCOCC4)c(=O)c2c1OC)-c1ccccc1C3=O 604405139 XGKCXJHTRJTQKS-HNNXBMFYSA-N 450.491 1.923 10 40 JDCB biogenic O=C(/C=C/c1ccc(O)c(O)c1)O[C](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O 1560407500 IGGUHKLMFYUAPG-DWXXWYOYSA-N 473.366 1.392 10 40 JDCB O=C1N=C(O)/C(=C/NCCN2CCOCC2)C(=O)N1c1ccc(I)cc1 103221980 HNDCDOPWUNCXNH-KAMYIIQDSA-N 470.267 1.520 10 40 JDCB NS(=O)(=O)c1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/c4cccs4)SC3=S)C2=O)cc1 10386584 NAFPYYMYWWUDLG-IAOKNECISA-N 479.586 1.929 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)cc1 1325765 FWTCJDNDDFWZHV-UHFFFAOYSA-N 451.570 1.647 10 40 JDCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N4CCN(CCO)CC4)c4ccccc34)[C@H]21 1616044686 SODLZCZZGVCDRM-SANMLTNESA-N 473.577 1.925 10 40 JDCB Cc1cc(C(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)c(C)n1-c1ccc2c(c1)OCCO2 23248510 TZPWDOJITYZPEK-UHFFFAOYSA-N 482.581 1.524 10 40 JDCB COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCCCO5)C3=O)CC2)cc1 25015634 DFUGEEVUEQBZDS-SANMLTNESA-N 494.548 1.972 10 40 JDCB NS(=O)(=O)c1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 408552379 SLLGDYZJNVZWRL-WQLSENKSSA-N 454.892 1.870 10 40 JDCB COc1ccc(N2CCN(C(=O)[C@H](C)N(c3ccc4c(c3)OCCO4)S(C)(=O)=O)CC2)cc1 408702246 AKFPMUQYPZBOTD-KRWDZBQOSA-N 475.567 1.970 10 40 JDCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NN3CCN(C)CC3)C2=O)cc1OC 8819483 DUEGSKBUQARYMX-JXAWBTAJSA-N 464.613 1.964 10 40 JDCB COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NC[C@@H]3CCCO3)c3ccco3)CC2)cc1 56946138 IQTYCSKDJDARAX-LEWJYISDSA-N 456.543 1.563 10 40 JDCB COc1nccnc1NS(=O)(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 8424758 FENTUGVIWISBBJ-LGMDPLHJSA-N 494.489 1.865 10 40 JDCB COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22734322 AAKYZADFSCJAFS-XMMPIXPASA-N 465.598 1.409 10 40 JDCB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cc4nc(O)[nH]c4cc3N3CCOCC3)C2=O)cc1 408535397 SOEFNXTXYZJMHM-QINSGFPZSA-N 478.465 1.693 10 40 JDCB O=C1CCCN2C(=O)/C(=C3/SC(=S)N(CCCC(=O)N4CCN1CC4)C3=O)SC2=S 8765944 SSFPIDXIKZITRI-YPKPFQOOSA-N 484.650 1.163 10 40 JDCB COc1cccc(/C=C2\SC(N)=NC2=O)c1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 9244442 FHODBSQUYQVGLI-DHDCSXOGSA-N 462.509 1.289 10 40 JDCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1 408926652 XHRNALIUHPRDQN-UHFFFAOYSA-N 493.881 1.824 10 40 JDCB COc1ccc(N2CCN(C(=O)c3ccnc(N4CCN(C)CC4)c3)[C@@H](C(=O)N(C)C)C2)cc1 257281802 ORBPNMBNVVKBNW-JOCHJYFZSA-N 466.586 1.261 10 40 JDCB COc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@]4(C(=O)NC(=O)N(C)C4=O)[C@H]3C2)cc1 9430888 IRUXAIBRSDFDEW-AUSIDOKSSA-N 465.466 1.549 10 40 JDCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4c(cc3N(C)C)n(C)c(=O)n4C)C2=O)cc1 408529253 HHTLOLQFJMRVLQ-DTQAZKPQSA-N 478.509 1.921 10 40 JDCB Cc1cc(C(=O)CSc2nnnn2C[C@H]2CCCO2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9477978 PBTXOOLNPHHBFQ-MRXNPFEDSA-N 476.584 1.882 10 40 JDCB CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)c2ccc3c(c2)CCN3C)CC1 22734328 YAXZHZWILVYECF-QFIPXVFZSA-N 479.581 1.129 10 40 JDCB COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 22735083 CHFDKGUPUNNDSG-RUZDIDTESA-N 479.625 1.799 10 40 JDCB CCn1c(=O)n(CC)c2cc(NC=C3C(=O)N(C)C(=O)N(C)C3=O)c(Br)cc21 408534811 RHXQVCUHDAAKSF-UHFFFAOYSA-N 450.293 1.952 10 40 JDCB CN1CCN([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccc(N(C)C)cc2)CC1 23080601 FXUIZEVXRCCPEM-OAQYLSRUSA-N 460.600 1.791 10 40 JDCB COc1ccc(N2CCN(CCNC(=O)Cn3c(=S)[nH]c4ncccc4c3=O)CC2)cc1 8661751 LZGZKHQKRNCZBM-UHFFFAOYSA-N 454.556 1.401 10 40 JDCB COc1ccc(N2CCN(C(=O)CN(c3ccc(F)cc3)S(=O)(=O)N(C)C)CC2)cc1 20245200 LNSXGTCAHHSORD-UHFFFAOYSA-N 450.536 1.796 10 40 JDCB COc1ccc(N2CCN(C(=O)C[C@H]3N=C(O)N(Cc4ccc5c(c4)OCO5)C3=O)CC2)cc1 36596989 BMRCHIHMFAHQIR-LJQANCHMSA-N 466.494 1.788 10 40 JDCB CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N3CCNCC3)cc1CNCC2=O 958317628 QTTAMQDBAXDTBU-VXKWHMMOSA-N 483.657 1.858 10 40 JDCB CC(C)(C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16021949 RVQMDJULQXGYBV-RSOWOLOUSA-N 453.470 1.999 10 40 JDCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 33706558 KDPVQDIIJIQCBS-BOPFTXTBSA-N 486.868 1.947 10 40 JDCB COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccccc3OC)CC2)cc1 96305311 MEKQRYVFKLJHER-JOCHJYFZSA-N 495.580 1.182 10 40 JDCB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C3=NS(=O)(=O)c4ccccc43)CC2)cc1 9793348 YVTTVWSXZRIKMN-FQEVSTJZSA-N 454.552 1.957 10 40 JDCB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3\C(=O)NC(C)=C3C(=O)OC)o2)cc1 409185961 TYMVRLVTPXSWRZ-WQRHYEAKSA-N 481.461 1.671 10 40 JDCB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1OC 22998966 HKEOFDRCBYWDDB-HXUWFJFHSA-N 456.543 1.898 10 40 JDCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCC(=O)O 59139833 ICXWRWFEAQVZQH-UHFFFAOYSA-N 457.302 1.910 10 40 JDCB COc1c2c(cc3c1[C@H](CN/C=C1/C(=O)NC(=O)N(c4cccc(F)c4)C1=O)N(C)CC3)OCO2 19363398 YDTPXDHQRCTYKK-RNIVLKNTSA-N 482.468 1.849 10 40 JDCB biogenic CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)N2CCOCC2)cc1 22998937 BBLUNPGRULDCFW-FQEVSTJZSA-N 454.527 1.652 10 40 JDCB O=C(CC1(O)C(=O)c2ccccc2C1=O)c1ccc2c(c1)[C@@]1(O)C(=O)c3ccccc3[C@@]1(O)O2 1565524782 NRYSWHSSWIUGMR-CLJLJLNGSA-N 456.406 1.691 10 40 JDCB COC[C@H]1CCCN1C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccc(N(C)C)cc3)CN21 22936991 LWEVTGWLBYYCNJ-IZBOUPIGSA-N 457.619 1.201 10 40 JDCB biogenic,in-vitro COc1ccc2ccc(O)c(CN3CCN(S(=O)(=O)[C@H]4CCS(=O)(=O)C4)CC3)c2c1 48300554 VXXHHCZWERHCNQ-KRWDZBQOSA-N 454.570 1.189 10 40 JDCB COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(Cl)c(C(N)=O)c3)CC2)cc1 32937312 FUIDLOIQVIFZFC-UHFFFAOYSA-N 473.961 1.715 10 40 JDCB COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3ccc(Cl)cc3)CC2)cc1 20638995 BWNWIYZICBAEAE-QFIPXVFZSA-N 499.999 1.826 10 40 JDCB C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 10113444 ICOJJQPOFHNFBF-QGZVFWFLSA-N 475.567 1.765 10 40 JDCB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](CCC(=O)O)NC32C(=O)c3ccccc3C2=O)cc1 9410183 QEKFYMXPIINLFR-YSIASYRMSA-N 460.442 1.649 10 40 JDCB CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@H]2C[C@@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O 3830925 XDXDZDZNSLXDNA-DPEISDRCSA-N 497.500 1.020 10 40 JDCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(N)=O)c(Br)c3)C2=O)cc1 409223152 HGLKLTWBMYJXMB-RIYZIHGNSA-N 474.267 1.988 10 40 JDCB COc1ccc(N2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3CCSc3ncccn3)CC2)cc1 9192196 DDBRHAPJCBXQEP-UHFFFAOYSA-N 494.581 1.341 10 40 JDCB COc1cc(/C=C2\SC(=S)N(CCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)C2=O)ccc1O 10232978 QFRFCAVYXCKJDI-ATTDUZETSA-N 470.594 1.638 10 40 JDCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(C)nc3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 648964 HYQQHBXXDHWBBE-JCAJYURWSA-N 465.579 1.906 10 40 JDCB COc1ccc(N2CCN(CCCn3c(C)c(C)n4c5c(=O)[nH]c(=O)n(C)c5nc34)CC2)cc1 8992503 UMWTYODRCODDJV-UHFFFAOYSA-N 465.558 1.514 10 40 JDCB CC(C)OC(=O)[C@H](C(=O)C(F)(F)F)c1cc(NS(C)(=O)=O)ccc1NS(C)(=O)=O 8870405 KFQZUAWSCSMCGI-LBPRGKRZSA-N 460.452 1.596 10 40 JDCB COCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] 200576208 YOCDAGUIMZYXKK-UHFFFAOYSA-N 453.533 1.076 10 40 JDCB CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@H]2C[C@@H](N)[C@@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O 3830923 XDXDZDZNSLXDNA-PGQYOSSBSA-N 497.500 1.020 10 40 JDCB CN1CCN([C@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)c2ccc3c(c2)CCCN3C)CC1 22735092 BRKSUAQGYOYQMQ-HSZRJFAPSA-N 493.608 1.519 10 40 JDCB O=C1NC(=O)C(=Cc2cc(Br)ccc2OS(=O)(=O)c2ccccc2)C(=O)N1 408879566 FHELPHMASLPADD-UHFFFAOYSA-N 451.254 1.966 10 40 JDCB Nc1ccc(N([C@@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 575424834 ONMWNILXDHZOHR-CVEARBPZSA-N 451.353 1.929 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(N4C(=O)CCS4(=O)=O)cc3C)CC2)cc1 11904135 NDUJLKNSVKIGMI-UHFFFAOYSA-N 479.580 1.581 10 40 JDCB COCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 16024898 HTAZJWGWTPBPLV-OIBPMIBVSA-N 465.506 1.324 10 40 JDCB CCNc1nc(NCC)n2c(SCC(=O)NCCc3ccc(OC)c(OC)c3)nnc2n1 12615256 PPKJYRXUJFFFFL-UHFFFAOYSA-N 460.564 1.851 10 40 JDCB CN(C)CCCNC(=O)CCCN(C)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 10383347 KVWRZPHGXFTRMY-UHFFFAOYSA-N 471.579 1.931 10 40 JDCB NC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I 34702970 HXWHPUXRWXSIAN-JYRVWZFOSA-N 463.231 1.617 10 40 JDCB CCn1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(N(C)C)cc2)C(C(=O)OC)=C(C)N=3)n1 22532404 INQSRRJNLARKRW-ITICKHJUSA-N 451.552 1.691 10 40 JDCB CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4cnn(C)c4)c(=O)n32)cc1 22575951 NGBGROZKBFBYAX-SRKIZSPNSA-N 465.579 1.988 10 40 JDCB CCCCNC(=O)CN1CCN(CC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1 22799933 YJZOIIRCQIMYCF-UHFFFAOYSA-N 489.642 1.458 10 40 JDCB COc1ccc(N2CCN(C(=O)COC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)cc1 9284029 QAMTXPJUOZNEFE-SFHVURJKSA-N 495.532 1.711 10 40 JDCB NC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 2376851 QTUJJTOSKROSIY-UHVIJJLKSA-N 499.618 1.776 10 40 JDCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](CCC(N)=O)C(=O)O)C2=O)cc1OC 8870141 KPMLJELHHPVJES-JXCQQFQQSA-N 481.552 1.130 10 40 JDCB CCS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCO2 10113461 RSYQRYYAIIQLIB-UHFFFAOYSA-N 461.540 1.724 10 40 JDCB COc1ccc(N2C(=O)NC(=O)/C(=C/NC[C@@H]3c4c(cc5c(c4OC)OCO5)CCN3C)C2=O)cc1 2099542 KZTLRQIDAKNVAY-UWKDKTGGSA-N 494.504 1.718 10 40 JDCB biogenic COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1OC 22734435 CNQAQXNVYUILAO-JOCHJYFZSA-N 481.597 1.740 10 40 JDCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 409204278 FELLKDILBMFHJW-UYRXBGFRSA-N 450.495 1.905 10 40 JDCB COCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 16022282 JJVGZQQXVJBPOH-QJHDXQOESA-N 485.924 1.751 10 40 JDCB COc1ccc(N2CCN(C(=O)COC(=O)Cn3cc(C(F)(F)F)ccc3=O)CC2)cc1 9283889 DWNARYADHBKDOK-UHFFFAOYSA-N 453.417 1.768 10 40 JDCB COCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 16024506 BFLLMGXTOGRSPH-HZNUMKHLSA-N 471.897 1.361 10 40 JDCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 34705054 BVTBZIWVSMESLT-ATVHPVEESA-N 452.423 1.294 10 40 JDCB NC(=O)C1CCN(c2ccc(CNC(=O)c3cc4c(c(S(N)(=O)=O)c3)CCC4)cc2)CC1 1596354996 IFQMKRFAAMARPT-UHFFFAOYSA-N 456.568 1.454 10 40 JDCB COc1ccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 28208615 YMDLJSJICIQVMB-UHFFFAOYSA-N 473.595 1.998 10 40 JDCB CN1CCN([C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(N(C)C)cc2)CC1 22999013 XGMBAVKXPSRBBS-OAQYLSRUSA-N 454.531 1.704 10 40 JDCB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)C2=O)cc1 8720567 RITLHNWFABCSEL-VWLOTQADSA-N 466.538 1.957 10 40 JDCB CCOc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)N1CCOCC1 40937796 ADMQQEYTNPRURR-SFQUDFHCSA-N 480.564 1.999 10 40 JDCB O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@@H]1/N=N\c1ccc(S(=O)(=O)O)cc1 100077536 RFKITWRHKUYMRJ-XAGMJWQQSA-N 468.425 1.120 10 40 JDCB NC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 409223688 HPJPVORXNZOUJJ-VGOFMYFVSA-N 489.238 1.888 10 40 JDCB Cc1cc(C(=O)COC(=O)CNC(=O)c2ccco2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 21463382 OWWYKNWJMAUVGF-UHFFFAOYSA-N 459.480 1.490 10 40 JDCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(C)nc3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 8843446 HYQQHBXXDHWBBE-SRKIZSPNSA-N 465.579 1.906 10 40 JDCB O=C1[C@H]2[C@@H](C(=O)N1C[C@H]1CCCO1)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(Cl)cc21 13591660 PXKQEAOIWCWYKN-QJERTUCVSA-N 497.935 1.893 10 40 JDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@H](O)C[C@H]3O[C@H]1C[C@@H](N)[C@H](O)[C@H](C)O1 5439944 PILBYTNNIUDJPF-HRXWPDLZSA-N 485.489 1.070 10 40 JDCB CC1=NN(C(=O)CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)[C@H]1/N=N/c1ccc(S(N)(=O)=O)cc1 104219236 PDPSTZLOXUGFTG-FTGFMQHASA-N 486.466 1.258 10 40 JDCB COc1ccc(N(CCC(N)=O)CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 12533754 WMJUPGUPMMAQHG-UHFFFAOYSA-N 478.546 1.049 10 40 JDCB COc1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 16187636 PFQRRSMDQXMWBM-UHFFFAOYSA-N 463.556 1.682 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 922582 OUXNJRUIUSNWAR-UHFFFAOYSA-N 465.597 1.991 10 40 JDCB COc1cc(N2CN=c3s/c(=C4\C(=O)Nc5c(C)cc(C)cc54)c(=O)n3C2)cc(OC)c1OC 2349571 AXPBFLKWYVUJMS-UZYVYHOESA-N 480.546 1.758 10 40 JDCB CN1CCCc2cc([C@H](CNC(=O)C(=O)NCCc3ccccc3)N3CCOCC3)ccc21 16838418 HWVSLRHSWYLUMN-DEOSSOPVSA-N 450.583 1.917 10 40 JDCB O=C(CC1(O)C(=O)c2ccccc2C1=O)c1ccc2c(c1)[C@]1(O)C(=O)c3ccccc3[C@@]1(O)O2 1565524788 NRYSWHSSWIUGMR-IZZNHLLZSA-N 456.406 1.691 10 40 JDCB CCCN1C(=O)/C(=C/c2c(N3CCN(CCO)CC3)nc3ccccn3c2=O)SC1=S 20080452 ZXXPVPNBTBPGDZ-PEZBUJJGSA-N 459.597 1.420 10 40 JDCB CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1 22998921 QSTNMWGMFKNFLO-QFIPXVFZSA-N 453.543 1.839 10 40 JDCB O=C1/C(=C/c2c(N3CCN(CCO)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 20135082 SUDXXRWXVMOVDO-SDXDJHTJSA-N 485.635 1.953 10 40 JDCB O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NCCCN1CCOCC1 8766166 YKLYMGBXQJPSJA-AQTBWJFISA-N 463.581 1.845 10 40 JDCB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])c2ccc(N(C)C)cc2)CC1 22999007 QUENRVJBJVNQHH-NRFANRHFSA-N 454.531 1.704 10 40 JDCB COc1ccc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 409390750 LHQHUYWSFIQTCK-MRXNPFEDSA-N 463.556 1.728 10 40 JDCB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(C)(=O)=O 10113393 VYBSKRAZBTYIEH-UHFFFAOYSA-N 478.527 1.522 10 40 JDCB COc1ccc(N2CCN(Cc3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccc(F)cc3)CC2)cc1 62294635 AHMLEPCYQNBWJP-UHFFFAOYSA-N 478.528 1.942 10 40 JDCB O=C(O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H](c2cc(Br)ccc2O)N[C@H]3C(=O)O)c1 106812003 SLTORHKXXXSKNZ-YHUYYLMFSA-N 475.251 1.756 10 40 JDCB COc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 9926444 UBRNOLAOBVVLDJ-NRFANRHFSA-N 496.564 1.392 10 40 JDCB CCCn1c(=O)oc2cc(NC(=O)CN3CCN(c4ccc(OC)cc4)C[C@H]3C(N)=O)ccc21 257303702 SIJBPCHMHVNKRT-FQEVSTJZSA-N 467.526 1.628 10 40 JDCB O=C1/C(=C/c2c(N3CCOCC3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 1084350 QVDKACPSONYVOT-QXPQOBGOSA-N 458.565 1.911 10 40 JDCB O=C(O)C1=NN(c2ccccc2S(=O)(=O)O)C(=O)[C@H]1/N=N/c1ccccc1S(=O)(=O)O 104039827 AYEVOOKBKXPJTQ-BZSIDJSBSA-N 468.425 1.120 10 40 JDCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1N1C(=O)CCC1=O 223360951 HZVNRDMVTGRIHO-UHFFFAOYSA-N 459.524 1.664 10 40 JDCB COc1c2c(cc3c1[C@@H](CN/C=C1/C(=O)NC(=O)N(C4CCCCC4)C1=O)N(C)CC3)OCO2 20113356 OKUUVXMJSOFYQV-ZFOVBUMHSA-N 470.526 1.838 10 40 JDCB biogenic COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3ccc(C)cc3)CC2)cc1 20638728 YGCYXWMKFZKXOC-QHCPKHFHSA-N 479.581 1.481 10 40 JDCB COc1ccc(N2CCN(CC(=O)Nc3ccc(N4CCOCC4)cc3)[C@@H](C(=O)N(C)C)C2)cc1 257240094 HSAFUTVDNZBCHK-XMMPIXPASA-N 481.597 1.749 10 40 JDCB COc1c2c(cc3c1[C@@H](CN/C=C1/C(=O)NC(=O)N(CCc4ccccc4)C1=O)N(C)CC3)OCO2 2145666 YUEJVCDFIXZBTI-CWDSQJGSSA-N 492.532 1.748 10 40 JDCB biogenic CC(C)N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O 9009816 AKPNYCMWJOZZBN-FYXHJSOBSA-N 493.520 1.119 10 40 JDCB CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)N3CCOCC3)ccc21 21887034 BNEBGSLPXPWOGK-QFIPXVFZSA-N 480.565 1.604 10 40 JDCB COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 22734415 MNGHJLSHNRDDPO-QHCPKHFHSA-N 451.571 1.731 10 40 JDCB S=C(NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1)Nc1cccc(Cl)c1 9762059 BRERVWLLVCTXAK-UHFFFAOYSA-N 450.956 1.512 10 40 JDCB COc1ccc(N2CCN(CCCNC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)cc1 102186059 AGXUOOQTDHNUMD-VXKWHMMOSA-N 456.587 1.889 10 40 JDCB CCOC(=O)CCN1C(=O)[C@@H]([C@@H]2SC(=S)N(CCC(=O)OCC)C2=O)SC1=S 16844397 JVUARPXAXLJYGU-TXEJJXNPSA-N 464.612 1.351 10 40 JDCB CN1CCN(c2cc3c(cc2N/C=C2\C(=O)NC(=O)N(c4ccccc4)C2=O)n(C)c(=O)n3C)CC1 408527061 DTDCXNHRDOKDLQ-BMRADRMJSA-N 489.536 1.208 10 40 JDCB COc1ccc(N2CN=c3s/c(=C\c4ccc(I)o4)c(=O)n3C2)cc1 1244438 NKKOVUNOYCLHTR-ZSOIEALJSA-N 467.288 2.000 10 40 JDCB Cc1c(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c(=O)oc2c(O)c(O)ccc12 9435313 GULVEVUQDYPBJP-HXUWFJFHSA-N 480.473 1.566 10 40 JDCB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)c2ccc3c(c2)CCN3C)CC1 22734319 RFWZMHAXLNGFPW-JOCHJYFZSA-N 479.581 1.494 10 40 JDCB COc1cc(N2CN=c3s/c(=C4\C(=O)Nc5ccc(C)cc54)c(=O)n3C2)cc(OC)c1OC 2338222 ISSYKWNTLLAKJE-ZZEZOPTASA-N 466.519 1.450 10 40 JDCB Nc1ccc(N([C@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 575424837 ONMWNILXDHZOHR-JKSUJKDBSA-N 451.353 1.929 10 40 JDCB COc1ccc(OC)c(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 10113349 FKPANGRKBKOCGH-UHFFFAOYSA-N 463.556 1.623 10 40 JDCB CCn1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(N(C)C)cc2)C(C(=O)OC)=C(C)N=3)c(C)n1 1003074 BFQSLICMSQAZPW-SRKIZSPNSA-N 465.579 1.999 10 40 JDCB COc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3S(=O)(=O)c3ccc(C)cc3)CC2)cc1 9926836 VYBASTZHTZOHKH-QFIPXVFZSA-N 486.594 1.232 10 40 JDCB O=C1c2ccccc2C(=O)c2c(NCCN3CCOCC3)ccc(NCCN3CCOCC3)c21 31298269 ZGRQUTLLELKDOO-UHFFFAOYSA-N 464.566 1.950 10 40 JDCB COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H](O)CN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 8687812 WAXQLIVNBODIIL-WIYYLYMNSA-N 490.538 1.076 10 40 JDCB COc1ccc(N2CCN(C(=O)COC(=O)c3cc([N+](=O)[O-])ccc3NCCO)CC2)cc1 9224316 YAYKLTNTMAAJAI-UHFFFAOYSA-N 458.471 1.513 10 40 JDCB O=C1[C@H]2[C@@H](C(=O)N1C[C@H]1CCCO1)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(F)cc21 13592151 IPWBPXUQKXECND-QJERTUCVSA-N 481.480 1.379 10 40 JDCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cnn(C)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 13882156 RNVWQEXZOPUPTN-JCAJYURWSA-N 465.579 1.906 10 40 JDCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](CCC(N)=O)C(=O)O)C2=O)cc1 8870111 RWTNFRHORGQIAV-LFGHMXSPSA-N 451.526 1.121 10 40 JDCB CCNC(=S)N1CCN(CCN/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)CC1 19899357 HHPFTRPJZSFCLG-CYVLTUHYSA-N 459.576 1.693 10 40 JDCB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)c2ccc(N(C)C)cc2)CC1 22809763 ARXSPRJNRTZMDB-NRFANRHFSA-N 467.570 1.567 10 40 JDCB COCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 13572491 CSNLNONVRFILBH-AYFLJRIOSA-N 451.479 1.097 10 40 JDCB COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc(OC)c1OC 103596479 DNTQQRFQPDPWNB-DVWNZROTSA-N 473.511 1.580 10 40 JDCB NC(=O)C[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21 4176857 DBYISQBSXCCVQB-IZZGNVEXSA-N 459.458 1.694 10 40 JDCB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 9373656 UHYNKNJXDATJSO-UHFFFAOYSA-N 488.573 1.114 10 40 JDCB COCCN1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccc(OC)cc4)C[C@@H]32)C1=O 9433866 UCFBAGNHTPSGON-BWKNWUBXSA-N 464.522 1.658 10 40 JDCB CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OS(C)(=O)=O 41084002 IFHUREGZRHDQDD-GXGXXEIJSA-N 486.553 1.435 10 40 JDCB COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccccc3Cl)CC2)cc1 19820896 KIGNETCAOZSELO-JOCHJYFZSA-N 499.999 1.826 10 40 JDCB CC(=O)OCC(COC(C)=O)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)[C@H](O)CC[C@]21C 68601849 VCBHLBIHCJEBHO-LKEWYZSESA-N 478.494 1.833 10 40 JDCB CCCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 4092930 OAWXOQUUSWBOLR-UHFFFAOYSA-N 486.598 1.293 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)cc1 1362897 PLSSFPVJUHTCBK-UHFFFAOYSA-N 481.596 1.227 10 40 JDCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3nc(O)[nH]c3cc2N2CCN(C)CC2)C1=O 408528478 HSOSIGIUZIRNQN-FYWRMAATSA-N 475.509 1.908 10 40 JDCB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 223625114 NTOCRFSCCDRHHT-SFHVURJKSA-N 460.600 1.918 10 40 JDCB COc1ccc(N2CCN(CC(=O)NCc3nc4ccccc4n3C)[C@@H](C(=O)N(C)C)C2)cc1 257264505 LUSGEGNPLNCAPM-JOCHJYFZSA-N 464.570 1.477 10 40 JDCB CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OS(C)(=O)=O)cc3)C(=N)N21 20207294 RZSXMPQVAOJQFR-XWFJYDPRSA-N 456.527 1.425 10 40 JDCB CN1C(=O)C(=CNc2cc3nc(O)[nH]c3cc2N2CCN(c3ccccc3)CC2)C(=O)N(C)C1=O 408534819 RISUUYFKSGSHQU-UHFFFAOYSA-N 475.509 1.941 10 40 JDCB COc1ccc(N2CCN3c4ccc(NC(C)=O)cc4CC4(C(=O)NC(=O)NC4=O)[C@@H]3C2)cc1 9347948 RWYBSKJUTJADBE-FQEVSTJZSA-N 463.494 1.257 10 40 JDCB COc1ccc(N2CCN(c3nc(-c4cnc(N5CCOCC5)nc4C)cc(=O)[nH]3)CC2)cc1 36235544 RXMMWUOZTRBFSL-UHFFFAOYSA-N 463.542 1.707 10 40 JDCB Cc1cc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9245723 OBWWCBVETYMNOB-UHFFFAOYSA-N 472.523 1.658 10 40 JDCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1O[C@@H](C)C(=O)O 409009206 ZNUAOKFLBJKPRA-NGPAHMQLSA-N 454.391 1.942 10 40 JDCB COc1ccc(CCN2C(=O)/C(=C\NNC(=S)Nc3ccccc3)C(=O)N=C2O)cc1OC 17247390 FGFHLHKJLHQOKX-SSZFMOIBSA-N 469.523 1.904 10 40 JDCB N=C1/C(=C/c2ccc(Br)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 103596530 CDGULQBUSBRXMX-LYVGZQGXSA-N 452.290 1.910 10 40 JDCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 9468595 KQKUWDDGKWXMSX-UHFFFAOYSA-N 457.512 1.296 10 40 JDCB CCOC(=O)N1CCc2nn(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)c(=O)cc2C1 67318991 ODOAHPGWUCPLKV-UHFFFAOYSA-N 455.515 1.115 10 40 JDCB COc1ccc(N2CCN(c3ncc4c(=O)n(-c5ccc6c(c5)OCO6)c(O)nc4n3)CC2)cc1 67262790 HXSJSXJGFSMZOB-UHFFFAOYSA-N 474.477 1.945 10 40 JDCB COc1cccc(N2C(=O)NC(=O)/C(=C/NC[C@@H]3c4c(cc5c(c4OC)OCO5)CCN3C)C2=O)c1 2099491 NHGYSPDUAZAMPI-UWKDKTGGSA-N 494.504 1.718 10 40 JDCB biogenic O=C1NC(=O)C(=Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1 59488604 WAPGIYWCAOYOLD-UHFFFAOYSA-N 479.449 1.395 10 40 JDCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 8426455 RNVWQEXZOPUPTN-SRKIZSPNSA-N 465.579 1.906 10 40 JDCB COc1ccc(N2CCN(Cc3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccccc3)CC2)cc1 57010830 SLSZKYWQWDXKKW-UHFFFAOYSA-N 474.565 1.813 10 40 JDCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 107758150 ZXCZYOZAZPPBBT-PDGQHHTCSA-N 496.476 1.693 10 40 JDCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCCO2 10113418 OLKRYFWCFMYVBU-UHFFFAOYSA-N 461.540 1.377 10 40 JDCB COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3cc(C)cc(C)c3)CC2)cc1 96302095 BWWLFVDRUSRKFR-XMMPIXPASA-N 493.608 1.790 10 40 JDCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(N)=O 409222322 BUUJXDSTLISJFJ-VGOFMYFVSA-N 459.842 1.975 10 40 JDCB COc1ccccc1N1C(=O)NC(=O)/C(=C/NC[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)C1=O 20410757 SZNOMHVISQKAQU-HKBKRHGFSA-N 494.504 1.718 10 40 JDCB biogenic COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1OC 22734113 GWCPVMJCFWKKKU-OAQYLSRUSA-N 468.554 1.824 10 40 JDCB Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1 12523469 NBSUDCPIEQTTAZ-UHFFFAOYSA-N 465.598 1.981 10 40 JDCB COc1ccc(N2CCN(C(=O)c3ccccc3CN3CCOCC3)[C@H](C(=O)N(C)C)C2)cc1 257216439 CUNLKQMMMWFMEY-DEOSSOPVSA-N 466.582 1.947 10 40 JDCB COc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3S(=O)(=O)c3ccc(F)cc3)CC2)cc1 8993545 GMAKMPPZXAMIRW-NRFANRHFSA-N 490.557 1.062 10 40 JDCB Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9477977 PBTXOOLNPHHBFQ-INIZCTEOSA-N 476.584 1.882 10 40 JDCB O=C(COC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 102768605 KJXLIZNQEYTZJL-CALCHBBNSA-N 472.453 1.895 10 40 JDCB CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2C[C@H](N)[C@H](O)[C@@H](C)O2)C1)C(=O)c1ccccc1C3=O 253386555 XDXDZDZNSLXDNA-UKWSNGRKSA-N 497.500 1.020 10 40 JDCB COc1ccc(N2CCN(C(=O)Cn3cc(OC)c(=O)cc3CN3CCOCC3)CC2)cc1 95480657 PKEFEEGPELVZFX-UHFFFAOYSA-N 456.543 1.047 10 40 JDCB COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccc(C)cc3C)CC2)cc1 19961976 IIPKBMWGTKBMPH-XMMPIXPASA-N 493.608 1.790 10 40 JDCB CCNC(=S)N(C)CCc1cc2c(c(OC)c1C=C1C(=O)N(C)C(=O)N(C)C1=O)OCO2 13865122 ODWRSMXXMLIURK-UHFFFAOYSA-N 462.528 1.226 10 40 JDCB CCOC(=O)COc1c(Br)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC 1438067 PFSQEROMHSKZIJ-UHFFFAOYSA-N 455.261 1.833 10 40 JDCB Cc1c(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc2n1CC(=O)NC[C@@H]1CCCO1 8450554 VERJMPYAEWTOQW-HNNXBMFYSA-N 454.552 1.844 10 40 JDCB COc1ccc(N2CCN(C(=O)COC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)cc1 23264305 SMHMCLZFQDIAER-UHFFFAOYSA-N 457.439 1.880 10 40 JDCB COc1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1 16187632 KZWMGWCJWFXHLK-UHFFFAOYSA-N 463.556 1.682 10 40 JDCB COc1ccc(N2CCN(C(=O)CNC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)cc1 32093281 VNELUEAKHQYNFS-KRWDZBQOSA-N 454.502 1.652 10 40 JDCB CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O 253386554 XDXDZDZNSLXDNA-DSWUZSCDSA-N 497.500 1.020 10 40 JDCB CN(CCCC(=O)NC(C)(C)CO)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 10383339 QRABDTSWBOISCI-UHFFFAOYSA-N 458.536 1.750 10 40 JDCB COc1ccc(N2CCN(C(=O)CCNC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 32103248 KVHZSZBRZLMRQY-LJQANCHMSA-N 450.539 1.903 10 40 JDCB O=C(O)[C]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)=C(O)[C@@H]1O 1560403839 QQNAWUBFAMTJEJ-YCRPNKLZSA-N 475.338 1.323 10 40 JDCB COc1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3cc(F)ccc3OC)CC2)cc1 13581049 SVPRMFVCJFZDOQ-UHFFFAOYSA-N 451.520 1.812 10 40 JDCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCCN3CCOCC3)N3CCCCC3)ccc21 21887185 QQLZDCZIIGMUOP-HSZRJFAPSA-N 457.619 1.161 10 40 JDCB CCOC(=O)COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1I 59139490 YEHQJSGSUHVPHL-UHFFFAOYSA-N 488.303 1.832 10 40 JDCB Cc1ccc(S(=O)(=O)c2nc(C=C3C(=O)N(C)C(=O)N(C)C3=O)oc2N2CCOCC2)cc1 2890498 OGLPSARLNLKVLS-UHFFFAOYSA-N 474.495 1.086 10 40 JDCB COCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 16022283 JJVGZQQXVJBPOH-XXPWESIGSA-N 485.924 1.751 10 40 JDCB COc1c(O)c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c(c1O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1OC2=O 504674689 WJUHXOKEYUJCMF-RSLGLQBRSA-N 493.553 1.200 10 40 JDCB biogenic COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3ccc(C)cc3C)CC2)cc1 19961973 IIPKBMWGTKBMPH-DEOSSOPVSA-N 493.608 1.790 10 40 JDCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O)N1CCOCC1 214689396 VRIIZHFLMJNLIN-SFQUDFHCSA-N 462.484 1.327 10 40 JDCB COc1ccc(N2CCN(CC(=O)Nc3ccc(N4CCN(C)CC4)cc3)[C@H](C(N)=O)C2)cc1 257344995 ZZMQGKUOPYMQLA-QHCPKHFHSA-N 466.586 1.062 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)/C=C/c3ccc4c(c3)OCO4)CC2)cc1 9570080 DPZYAKHLCKZMOA-YCRREMRBSA-N 473.551 1.705 10 40 JDCB O=C1NC(=O)C(=Cc2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1 408765872 RDUAZFINGDTOIY-UHFFFAOYSA-N 496.251 1.874 10 40 JDCB COc1ccc(N2CCN(C(=O)Cn3nnc(-c4ccc(N5CCOCC5)cc4)n3)CC2)cc1 6136627 FBODREMXFAFINB-UHFFFAOYSA-N 463.542 1.534 10 40 JDCB COc1ccc(N2CCN(C(=O)CCN3C(=O)/C(=C/N4CCOCC4)SC3=S)CC2)cc1 32051816 HDBAURCIWLNHKN-MNDPQUGUSA-N 476.624 1.768 10 40 JDCB O=C1NC(=O)N(c2ccc(I)cc2)C(=O)/C1=C/NCCN1CCCCC1 2375220 RJCXMOKTPAPZLD-NTCAYCPXSA-N 468.295 1.833 10 40 JDCB CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 21375760 POGLICHVALTCMZ-UHFFFAOYSA-N 465.503 1.248 10 40 JDCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408856492 IYCKJLGUTJFCRK-CVCOIXHCSA-N 468.491 1.564 10 40 JDCB COc1c(O)c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c(c1O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OC2=O 504674690 WJUHXOKEYUJCMF-ZMRAQEAZSA-N 493.553 1.200 10 40 JDCB biogenic COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)c3snnc3C)CC2)cc1 11666062 VZRXPQOHLNEULZ-UHFFFAOYSA-N 479.570 1.751 10 40 JDCB COc1ccc(N2CCN(C(=O)CCNC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 32103245 KVHZSZBRZLMRQY-IBGZPJMESA-N 450.539 1.903 10 40 JDCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 100397187 QDHNYPYKOBNGCY-IPJDOKCGSA-N 468.878 1.913 10 40 JDCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(N)=O 409219683 OZLWRZSHHVHTKU-AWNIVKPZSA-N 490.266 1.694 10 40 JDCB O=C1CSC(=S)N1NCSc1nnc(SCNN2C(=O)CSC2=S)s1 16137464 OKBPXSRQKJKYRB-UHFFFAOYSA-N 470.699 1.367 10 40 JDCB COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408890147 OQJNXKXLTYMMDH-UHFFFAOYSA-N 463.449 1.285 10 40 JDCB COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)c3cc(C)on3)CC2)cc1 17014131 HKRHBHDNZSZNOC-UHFFFAOYSA-N 462.514 1.888 10 40 JDCB Nc1nc(N)c(/N=N/c2c(Br)cc(S(N)(=O)=O)cc2Br)c(O)n1 17021130 APSHPFRIAIITEB-VHEBQXMUSA-N 467.103 1.934 10 40 JDCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(N3CCN(CCO)CC3)nc12 12779246 KKLSEVFFACANEF-AQTBWJFISA-N 487.651 1.974 10 40 JDCB NC(=O)C[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]21 15276756 DBYISQBSXCCVQB-SMTRIPRVSA-N 459.458 1.694 10 40 JDCB COc1ccc(N2CCN(C(=O)COC(=O)C[C@@H](NC(N)=O)c3ccccc3C)CC2)cc1 40072540 OTAUQMKMFZOKGN-OAQYLSRUSA-N 454.527 1.995 10 40 JDCB COc1ccc(N2CCN(C(=O)COC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)CC2)cc1 102129647 NKIYNXUZULAZFV-PMACEKPBSA-N 455.511 1.228 10 40 JDCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)N3CCOCC3)ccc21 21887032 BNEBGSLPXPWOGK-JOCHJYFZSA-N 480.565 1.604 10 40 JDCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(S(N)(=O)=O)cc1 100423666 LSGIZWBCMMOKDW-MOSHPQCFSA-N 458.496 1.994 10 40 JDCB COc1ccc(N2CCN(C(=O)CNC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)cc1 32093283 VNELUEAKHQYNFS-QGZVFWFLSA-N 454.502 1.652 10 40 JDCB CN1C(=O)N(C)C(=O)C2(Cc3cc(C=C4C(=O)OC(C)(C)OC4=O)ccc3N3CCC[C@H]32)C1=O 9252681 RSQONKGSIAORBS-KRWDZBQOSA-N 467.478 1.468 10 40 JDCB COc1ccc(N2CCN(C(=O)c3cccc(OCCN4CCOCC4)c3)[C@H](C(N)=O)C2)cc1 257209427 BQIDUAGGRMFXDH-QHCPKHFHSA-N 468.554 1.223 10 40 JDCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409229391 OLJQALSGZJYPJC-XMHGGMMESA-N 451.504 1.756 10 40 JDCB O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)N[C@@H]1CCS(=O)(=O)C1 9612698 SLFUAZQVPWRKDS-LLVKDONJSA-N 461.879 1.576 10 40 JDCB COc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@]4(C(=O)NC(=O)N(C)C4=O)[C@@H]3C2)cc1 16971581 IRUXAIBRSDFDEW-CVDCTZTESA-N 465.466 1.549 10 40 JDCB COc1ccc(N2CCN(CCCNC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)cc1 12514479 AGXUOOQTDHNUMD-FGZHOGPDSA-N 456.587 1.889 10 40 JDCB COc1ccc(N2CCN(C(=O)c3ccccc3OCCN3CCCC3=O)[C@@H](C(N)=O)C2)cc1 257309352 UAPUHMGXAIBODO-OAQYLSRUSA-N 466.538 1.513 10 40 JDCB COc1ccc(CCN2C(=O)NC(=O)/C(=C/N[C@H](CO)Cc3ccccc3)C2=O)cc1OC 20591833 WTZUHVXGNZAILR-OWBBTNHHSA-N 453.495 1.402 10 40 JDCB CCS(=O)(=O)N(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc2c(c1)OCCO2 14396747 SKXGSTIOUIBGAT-UHFFFAOYSA-N 475.567 1.971 10 40 JDCB COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc5c(c4)OCCCO5)C3=O)CC2)cc1 25015637 DFUGEEVUEQBZDS-AREMUKBSSA-N 494.548 1.972 10 40 JDCB COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 22734208 ADENVIOOZAQKNO-QHCPKHFHSA-N 481.597 1.740 10 40 JDCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409229317 NBOHDOIAOVKQDC-WOJGMQOQSA-N 479.445 1.319 10 40 JDCB O=[N+]([O-])c1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)c(N2CCOCC2)cc1N1CCOCC1 408603275 FLMQGLCWXGAQMN-OWOJBTEDSA-N 474.430 1.548 10 40 JDCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)nnc2n1 32941805 MSTZMXVQRQXHLB-UHFFFAOYSA-N 479.592 1.364 10 40 JDCB COc1ccc2ccc(O)c(CN3CCN(S(=O)(=O)[C@@H]4CCS(=O)(=O)C4)CC3)c2c1 48300553 VXXHHCZWERHCNQ-QGZVFWFLSA-N 454.570 1.189 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(O[C@@H](C)C(=O)N4CCOCC4)cc3)CC2)cc1 408605671 NFHYLSMZLZZQNW-IBGZPJMESA-N 489.594 1.832 10 40 JDCB COc1ccc(N2CCN(C(=O)c3ccnc(N4CCN(C)CC4)c3)[C@H](C(=O)N(C)C)C2)cc1 257281803 ORBPNMBNVVKBNW-QFIPXVFZSA-N 466.586 1.261 10 40 JDCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/N(CCO)CCO 408526719 CGOPDCRXJABVKQ-RCCKNPSSSA-N 453.539 1.908 10 40 JDCB CC(=O)O[C@H]1c2c3c(n(C#N)c2[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]1OC(C)=O)C(=O)c1c(O)cccc1C3=O 1723613 BQWLWNOFIHHESO-OLKYXYMISA-N 496.428 1.203 10 40 JDCB COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 408946459 AHIHYNQTHQCOQX-VGOFMYFVSA-N 454.391 1.642 10 40 JDCB COc1ccc(N2CCN(CC(=O)N3CCN(c4ccc(F)cc4)CC3)[C@@H](C(N)=O)C2)cc1 2037844300 SGLCKDGYGFROQY-JOCHJYFZSA-N 455.534 1.159 10 40 JDCB CN1C(=O)N(C)C(=O)C2(Cc3cc(NC=C4C(=O)OC(C)(C)OC4=O)ccc3N3CCC[C@H]32)C1=O 9253059 ROJJFICFYWNORJ-KRWDZBQOSA-N 482.493 1.380 10 40 JDCB COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCCCn3ccnc3)c3ccco3)CC2)cc1 9828994 FUSNUPFDNJRHMO-QFIPXVFZSA-N 480.569 1.671 10 40 JDCB COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCc3cccnc3)c3ccco3)CC2)cc1 56946110 CPJZWVJTNMLHGU-JOCHJYFZSA-N 463.538 1.979 10 40 JDCB COc1ccc(N2CCC(O)(CN3CCN(c4ccc(OC)cc4)C[C@H]3C(N)=O)CC2)cc1 257282879 OVQILZQVISIKCE-QHCPKHFHSA-N 454.571 1.711 10 40 JDCB COc1ccccc1N1CCN([C@@H]2[C@@H](O)[C@H](NCc3ccc(N(C)C)cc3)[C@H]3CO[C@@H]2O3)CC1 20463835 XVFIOGDDICWKDD-LFEPYJTBSA-N 468.598 1.526 10 40 JDCB biogenic,in-vitro C[C@H]1O[C@@H](c2ccc3c(c2O)C(=O)c2ccc(C[C@@](C)(O)CC(=O)O)c(O)c2C3=O)C[C@@H](O)[C@@H]1O 14439436 LKLNNJGYAYDANM-VRSSYPSJSA-N 486.473 1.213 10 40 JDCB biogenic,in-vitro CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16024696 ODYPHDYPIVVQSP-KCZAQHBKSA-N 453.470 1.999 10 40 JDCB COc1cccc([C@H]2N[C@@](C)(C(=O)O)[C@@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C(=O)[C@@H]23)c1O 8892233 PJDZMWGQPZQPEB-OIMFZILRSA-N 453.451 1.653 10 40 JDCB CN1CCCc2cc([C@H](CNC(=O)C(=O)NCCN3CCOCC3)N3CCCCC3)ccc21 21887190 QQLZDCZIIGMUOP-QHCPKHFHSA-N 457.619 1.161 10 40 JDCB COc1ccc(CCN2C(=O)NC(=O)/C(=C\NNC(=S)Nc3ccccc3)C2=O)cc1OC 9466019 FGFHLHKJLHQOKX-DTQAZKPQSA-N 469.523 1.700 10 40 JDCB COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCC(OC)OC)c3ccco3)CC2)cc1 56946065 HBRZAGFXFCLPPK-IBGZPJMESA-N 460.531 1.003 10 40 JDCB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1ccc(N2CCN(C)CC2)cc1 225632708 ZWHXMZNQFVXUIC-UHFFFAOYSA-N 474.627 1.946 10 40 JDCB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(c4ccc(OC)cc4)CC3)N2)cc1 8758214 ZIOFMPLHTLHOFZ-OAQYLSRUSA-N 479.537 1.877 10 40 JDCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 103849083 MCNYQIXWXQAGDT-YVGNARHYSA-N 452.423 1.399 10 40 JDCB CCN1C(=O)/C(=C/c2c(C)n(CC(=O)NC[C@H]3CCCO3)c3ccccc23)C(=O)NC1=S 2178843 AMKFXZQNTYUFQD-CLXYIWAZSA-N 454.552 1.892 10 40 JDCB COCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 13575805 WTNRNUUVOJWIHG-AYFLJRIOSA-N 469.469 1.237 10 40 JDCB O=C1NC(=S)NC(=O)C1=Cc1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1 59488824 VBTWWZCUDPMOSO-UHFFFAOYSA-N 495.517 1.560 10 40 JDCB COc1ccc(Cc2nn3c(=O)/c(=C/c4ccc(N(C)C)cc4)sc3nc2=O)cc1OC 2263108 VMYQEHQKHWGQHC-MOSHPQCFSA-N 450.520 1.733 10 40 JDCB CCN(CC)CCN/C=C1\C(=O)NC(=O)N(c2ccc(I)cc2)C1=O 2303291 UNDCHRYYOILBAR-SDNWHVSQSA-N 456.284 1.689 10 40 JDCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(N)=O)c(OC)c3)C2=O)cc1 409224561 LCKZNVPGZWUWPQ-OQLLNIDSSA-N 453.407 1.012 10 40 JDCB COc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 9926440 UGWSXIIYSWGJTR-NRFANRHFSA-N 481.509 1.283 10 40 JDCB COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccccc3C)CC2)cc1 20638903 BDAZHYHOSYRRMX-HSZRJFAPSA-N 479.581 1.481 10 40 JDCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409242565 OQXFHGJDHQODCT-GHRIWEEISA-N 453.426 1.730 10 40 JDCB COCCCn1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 44841117 MPKZKKVYQBLHNA-UHFFFAOYSA-N 466.538 1.557 10 40 JDCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(N)=O 409222219 CAVLQSDSHGMGNA-MHWRWJLKSA-N 467.434 1.402 10 40 JDCB COc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3C(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc1 9926455 VXMZMTQBLSNOOF-QFIPXVFZSA-N 495.536 1.591 10 40 JDCB Cc1c(N/C=C2\C(=O)NN=C2c2c(O)c3ccccc3n(C)c2=O)c(=O)n(-c2ccccc2)n1C 100271259 LVEGWQMOOCDTIN-LGMDPLHJSA-N 470.489 1.872 10 40 JDCB CC(C)OC(=O)[C@@H](C(=O)C(F)(F)F)c1cc(NS(C)(=O)=O)ccc1NS(C)(=O)=O 8870406 KFQZUAWSCSMCGI-GFCCVEGCSA-N 460.452 1.596 10 40 JDCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OC(C)=O 408764474 IURLHDUKZVZUKF-UHFFFAOYSA-N 460.249 1.530 10 40 JDCB COc1c(O)c(CN2C[C@]3(C)C[C@H]2CC(C)(C)C3)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O 79189239 WJUHXOKEYUJCMF-JOZSKJPVSA-N 493.553 1.200 10 40 JDCB CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CCNCC3)cc1CNCC2=O 100035140 QTTAMQDBAXDTBU-ONWRLUPVSA-N 483.657 1.858 10 40 JDCB COc1ccc(N2CCN(C(=O)CC[C@@H]3NC(=O)N(Cc4ccc5c(c4)OCO5)C3=O)CC2)cc1 20738793 YACDJUAQQIQLAS-FQEVSTJZSA-N 480.521 1.973 10 40 JDCB COc1ccc(N2CCN(CCCNC(=O)Cn3c(S)nc4ncccc4c3=O)CC2)cc1 20618269 LVNJUNCGBCIBAU-UHFFFAOYSA-N 468.583 1.417 10 40 JDCB COCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 20566000 JJVGZQQXVJBPOH-MDTICMOCSA-N 485.924 1.751 10 40 JDCB CCOc1ccccc1C(=O)NCC(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 9635514 IAJIBOKAHCBZOC-UHFFFAOYSA-N 455.511 1.716 10 40 JDCB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)c2ccc3c(c2)CCCN3C)CC1 22735080 MFRNLGPSFZGLNM-HSZRJFAPSA-N 493.608 1.884 10 40 JDCB COc1ccc(N2CCN(Cc3nc4c(c(=O)n(C)c(=O)n4C)n3CCC(C)C)CC2)cc1 57010962 QLHDQUDEXHQKAD-UHFFFAOYSA-N 454.575 1.811 10 40 JDCB COc1c(I)cc(I)cc1C=C1C(=O)NC(=O)NC1=O 408718196 PJZZRBXYDRHFQP-UHFFFAOYSA-N 498.014 1.654 10 40 JDCB CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](CCC(N)=O)C(=O)O)C2=O)cc1OC 8870169 NVCRRBJMVJANQT-KWWJGWKXSA-N 495.579 1.520 10 40 JDCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCCN2CCOCC2)N2CCc3ccccc3C2)cc1 22999045 IPPSBFWIDKEVHU-RUZDIDTESA-N 479.625 1.417 10 40 JDCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](CCC(N)=O)C(=O)O)C2=O)cc1OC 8870140 KPMLJELHHPVJES-XBUHWIKASA-N 481.552 1.130 10 40 JDCB COc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1=O 408536291 VUHOJFRFQBHHMA-ZHACJKMWSA-N 466.410 1.373 10 40 JDCB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc(O)c(O)c1 9969301 DIKVDUGTOLTBEU-GOSISDBHSA-N 450.444 1.882 10 40 JDCB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)c2ccc3c(c2)CCN3C)CC1 22734284 OWLFNBKHGKVXRC-OAQYLSRUSA-N 465.554 1.451 10 40 JDCB NS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C3=O)o2)cc1 33568175 WEABFHOLFYHSCQ-OBTCNRAFSA-N 482.517 1.723 10 40 JDCB Cn1c(CNC(=O)CCn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)cc(=O)n(C)c1=O 604404659 IRUXOCIADSZKAT-UHFFFAOYSA-N 470.485 1.317 10 40 JDCB biogenic COc1cc(/C=C2\SC(=S)N(CCC(=O)NN3CCOCC3)C2=O)cc(OC)c1OC 13400216 KFGBCUAOAXWRFT-VBKFSLOCSA-N 467.569 1.667 10 40 JDCB COCCN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccc(OC)cc4)C[C@@H]32)C1=O 9348343 UCFBAGNHTPSGON-PXDATVDWSA-N 464.522 1.658 10 40 JDCB CCC(=O)Nc1ccc2c(c1)CC1(C(=O)NC(=O)NC1=O)[C@H]1CN(c3ccc(OC)cc3)CCN21 18210385 WPURZNKHMWVLOX-HXUWFJFHSA-N 477.521 1.647 10 40 JDCB COCCCN1C(=O)/C(=C/c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 2374802 SSUKLOUFNMQAAN-SSZFMOIBSA-N 487.607 1.634 10 40 JDCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2C)cc1C 9127511 QLTCJSLFWGPXLP-UHFFFAOYSA-N 477.521 1.884 10 40 JDCB COc1ccc(N2CCN(C(=O)COC(=O)CNC(=O)c3cccc(OC(F)F)c3)CC2)cc1 9583070 VGPHAEGJCAZNQC-UHFFFAOYSA-N 477.464 1.918 10 40 JDCB CC[C@@H](C)NC(=S)NCCc1cc2c(c(OC)c1C=C1C(=O)N(C)C(=O)N(C)C1=O)OCO2 2103709 XJQKGLQNXVOUMG-GFCCVEGCSA-N 476.555 1.663 10 40 JDCB biogenic CCOC(=O)CCN1C(=O)[C@@H]([C@H]2SC(=S)N(CCC(=O)OCC)C2=O)SC1=S 6142549 JVUARPXAXLJYGU-VXGBXAGGSA-N 464.612 1.351 10 40 JDCB COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 9668653 CXJTXIIWJAQISG-UHFFFAOYSA-N 475.567 1.444 10 40 JDCB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)c2ccc(N(C)C)cc2)CC1 22809755 NMLWZNAXOMPJCH-HXUWFJFHSA-N 453.543 1.525 10 40 JDCB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 96193268 JKJXXICDYVTBFR-PDGQHHTCSA-N 471.495 1.885 10 40 JDCB COc1ccc(N2CCN(CC(=O)Nc3ccccc3N3CCOCC3)[C@H](C(=O)N(C)C)C2)cc1 257237295 HFWUJGZGMSWROD-DEOSSOPVSA-N 481.597 1.749 10 40 JDCB COc1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3S(=O)(=O)c3ccc(F)cc3)CC2)cc1 8993544 GMAKMPPZXAMIRW-OAQYLSRUSA-N 490.557 1.062 10 40 JDCB O=C1c2ccccc2C(=O)c2c1c(C(=O)N1CCN([C@H]3CCS(=O)(=O)C3)CC1)c1ccccn21 95479702 CRFQSMJVFUPGEO-INIZCTEOSA-N 477.542 1.660 10 40 JDCB COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 2785392 XJTQGWJRUFWMHZ-UHFFFAOYSA-N 459.436 1.171 10 40 JDCB CCN(C(=O)CN1CCN(c2ccc(OC)cc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 59946707 UATQUTDNPALUPY-UHFFFAOYSA-N 492.580 1.351 10 40 JDCB C[C@H](OC(=O)CCn1cnc2c(cnn2C)c1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 9113960 GKXOJCAANPFPNH-AWEZNQCLSA-N 499.483 1.866 10 40 JDCB Cc1cc(C(=O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C)n1-c1ccc2c(c1)OCO2 22799370 NYVRSRNWWXHYAN-LJQANCHMSA-N 459.568 1.810 10 40 JDCB COc1c2c(cc3c1[C@@H](CN/C=C1/C(=O)NC(=O)N(c4cccc(F)c4)C1=O)N(C)CC3)OCO2 2106865 YDTPXDHQRCTYKK-LPPOOGIUSA-N 482.468 1.849 10 40 JDCB biogenic COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22734325 AAKYZADFSCJAFS-DEOSSOPVSA-N 465.598 1.409 10 40 JDCB COc1ccc(N2CCN(Cc3coc(O)c(CN4CCN(C5CCOCC5)CC4)c3=O)CC2)cc1 101373264 BWURCPYSCMGXHG-UHFFFAOYSA-N 498.624 1.973 10 40 JDCB COc1ccc(N2CCN(C(=O)c3ccccc3CN3CCOCC3)[C@@H](C(=O)N(C)C)C2)cc1 257216440 CUNLKQMMMWFMEY-XMMPIXPASA-N 466.582 1.947 10 40 JDCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(N)=O 409222993 FTVUEWFLNPZNGB-OQLLNIDSSA-N 454.395 1.524 10 40 JDCB COc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22734119 CHOHPMUUZVHZJY-JOCHJYFZSA-N 452.555 1.493 10 40 JDCB COc1ccc(N2CCN(C(=O)CN(C)CC(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 24969297 SXMNGURSMRMONI-UHFFFAOYSA-N 479.625 1.620 10 40 JDCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)cc1 409243077 VGLJALNBMJQIAK-XSFVSMFZSA-N 465.462 1.599 10 40 JDCB CN1C(=O)NC(=O)/C(=C\Nc2cc3c(cc2N2CCN(c4ccccc4)CC2)n(C)c(=O)n3C)C1=O 408526289 BMDYUCJRTVOZMV-BMRADRMJSA-N 489.536 1.208 10 40 JDCB CN1C(=O)NC(=O)/C(=C\Nc2cc3nc(O)[nH]c3cc2N2CCN(c3ccccc3)CC2)C1=O 408534164 VCVFGSXUVZLKCZ-FYWRMAATSA-N 461.482 1.599 10 40 JDCB COc1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C(=O)c3cccc(C)c3)CC2)cc1 9926446 AQHGBNKTFKDMDP-JOCHJYFZSA-N 450.539 1.683 10 40 JDCB COCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 20566201 BFLLMGXTOGRSPH-NSNOHRKYSA-N 471.897 1.361 10 40 JDCB COc1c(I)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1[N+](=O)[O-] 59139294 GVMKONKFAMWZPU-UHFFFAOYSA-N 461.237 1.807 10 40 JDCB COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)N4CCN=C(O)C4)co3)CC2)cc1 79493946 AEJWJOLYVWYLBA-UHFFFAOYSA-N 456.499 1.148 10 40 JDCB CCN1CCN(CC(=O)O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(=O)C1=O 32928601 BIMUOXDCMCXJLK-CQSZACIVSA-N 477.473 1.023 10 40 JDCB O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H](c4cc(Br)ccc4O)N[C@@H](C(=O)O)[C@H]3C2=O)c1 106811999 SLTORHKXXXSKNZ-CAOSSQGBSA-N 475.251 1.756 10 40 JDCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)c1 409228203 VWPHNAXIBBDNDK-KGENOOAVSA-N 479.489 1.989 10 40 JDCB NC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)CC1 2376853 QTUJJTOSKROSIY-ZKMNFCBKSA-N 499.618 1.776 10 40 JDCB COc1ccc(N2CCN(CCCn3c(C)c(C)n4c5c(=O)n(C)c(=O)n(C)c5nc34)CC2)cc1 9421655 JCKNTOQNSCVENV-UHFFFAOYSA-N 479.585 1.524 10 40 JDCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)cc1 409242000 TXVKYHAOJXXLGH-RCCKNPSSSA-N 479.489 1.989 10 40 JDCB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)c2ccc(N(C)C)cc2)CC1 22809743 NMLWZNAXOMPJCH-FQEVSTJZSA-N 453.543 1.525 10 40 JDCB O=C(CCc1ccc(O)cc1)C[C@@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O 31170017 KQQLSXWIDDTWRR-MWFZDGHISA-N 462.495 1.152 10 40 JDCB biogenic,in-vitro CCCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O 9253547 UHJKZZXJSGLEET-QIPRVMPFSA-N 493.520 1.120 10 40 JDCB CC(C)(C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16021950 RVQMDJULQXGYBV-WDEBQMKVSA-N 453.470 1.999 10 40 JDCB CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC 408914247 OVSLYTFNESFLDU-BJMVGYQFSA-N 457.302 1.656 10 40 JDCB COc1ccc(N2CCN(CCCNC(=O)CCCn3c(=O)[nH]c4ccsc4c3=O)CC2)cc1 3958987 PISOLXJACKFUAI-UHFFFAOYSA-N 485.610 1.869 10 40 JDCB COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 22734412 MNGHJLSHNRDDPO-HSZRJFAPSA-N 451.571 1.731 10 40 JDCB Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3cc4c(cc3N3CCOCC3)n(C)c(=O)n4C)C2=O)c1 408528232 HEIYFRNODTZGFG-SAPNQHFASA-N 490.520 1.601 10 40 JDCB CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(CCC(=O)O)C2=O)CC1 26841206 MSSPJTMAEURBOT-VBKFSLOCSA-N 487.607 1.821 10 40 JDCB COc1ccc(N2CCN(C(=O)COC(=O)C[C@H](NC(N)=O)c3ccccc3C)CC2)cc1 40072541 OTAUQMKMFZOKGN-NRFANRHFSA-N 454.527 1.995 10 40 JDCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)CN3C(=O)NC(C)(C)C3=O)c2C)cc1 9222090 APFRZJMHYVHUCC-UHFFFAOYSA-N 455.467 1.937 10 40 JDCB COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1 22733865 RYFVPADQSFSUTM-JOCHJYFZSA-N 468.554 1.824 10 40 JDCB Cn1c(Sc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2[N+](=O)[O-])nc2ccccc2c1=O 59488554 SIILSTBOKJVDJO-UHFFFAOYSA-N 467.488 1.907 10 40 JDCB CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(CCO)CC3)nc3ccccn3c2=O)SC1=S 20057980 AQBKPVZAVRBXGD-YIQZXQSLSA-N 473.624 1.809 10 40 JDCB COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OS(C)(=O)=O 41077834 CFXPCFPLEMJLSL-RPEOLDRNSA-N 492.944 1.308 10 40 JDCB COc1ccc(N2CCC(O)(CN3CCN(c4ccc(OC)cc4)C[C@@H]3C(N)=O)CC2)cc1 257282878 OVQILZQVISIKCE-HSZRJFAPSA-N 454.571 1.711 10 40 JDCB CC1=NN(C(=O)CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)[C@@H]1/N=N/c1ccc(S(N)(=O)=O)cc1 104219226 PDPSTZLOXUGFTG-IUBFCHALSA-N 486.466 1.258 10 40 JDCB CN1CCN(c2cc3[nH]c(O)nc3cc2N/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)CC1 408539511 WTEXTJMRQFUSNA-FYWRMAATSA-N 461.482 1.599 10 40 JDCB COCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 16024504 BFLLMGXTOGRSPH-ZMHGRXQUSA-N 471.897 1.361 10 40 JDCB CNC(=S)N1CCN(CCN/C=C2\C(=O)N(c3cccc4ccccc34)C(=O)N=C2O)CC1 103228935 IKENCOJPMXXDLG-SDXDJHTJSA-N 466.567 1.858 10 40 JDCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(I)c1OCC(=O)O 408908341 BUEQZBDMCQRPRE-RUDMXATFSA-N 490.275 1.410 10 40 JDCB COc1ccc(N2CCN(C(=O)CSc3nc4c(c(=O)n(C)c(=O)n4C)n3C(C)C)CC2)cc1 932559 CICXZJGLOBDWNU-UHFFFAOYSA-N 486.598 1.464 10 40 JDCB COc1ccc(N2CCN(CCCNC(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)CC2)cc1 12514484 AGXUOOQTDHNUMD-SZPZYZBQSA-N 456.587 1.889 10 40 JDCB OCCN1CCN(Cc2cc(I)cc(I)c2O)CC1 48311426 SPYBFWUNXJEPLB-UHFFFAOYSA-N 488.107 1.711 10 40 JDCB Cc1cc(C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 9250568 FHWNJUSGRWMHDP-UHFFFAOYSA-N 455.467 1.922 10 40 JDCB O=C1NC(=O)C(=Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc4c(c3)OCO4)CC2)C(=O)N1 59488777 STEGLYMTKDEBBF-UHFFFAOYSA-N 465.422 1.400 10 40 JDCB CN(CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)Cc1ccc(N2CCOCC2)cc1 12533898 VNXBLYMNVYKRGH-UHFFFAOYSA-N 483.588 1.877 10 40 JDCB CN1CCN(C(=O)CCCN(C)S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 20347426 YCPRDNHEWSPCAZ-UHFFFAOYSA-N 469.563 1.637 10 40 JDCB CN1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)C(=O)N(C)C1=O 20308281 XYMCRXFLELCDHJ-UHFFFAOYSA-N 486.532 1.451 10 40 JDCB COc1ccc(N2CCN(CCNC(=O)N[C@H]3CC(=O)N(c4ccc(OC)c(OC)c4)C3)CC2)cc1 56946410 MSLLWWJJLDIFOX-IBGZPJMESA-N 497.596 1.939 10 40 JDCB NS(=O)(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)o2)cc1 1793527 KOTHBZNIJDYYPY-GFQQVXNGSA-N 484.602 1.982 10 40 JDCB CCOC(=O)COc1cc(Br)c(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC 9259190 LWZZMKTYMWMUSO-UHFFFAOYSA-N 471.329 1.998 10 40 JDCB COCCN1C(=O)/C(=C\c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)C(C(=O)OC)=C1C 409184856 IHXXYJPWJAUEKR-UYRXBGFRSA-N 467.478 1.854 10 40 JDCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409244015 WJFWBBAJEFNPOF-XDHOZWIPSA-N 453.426 1.730 10 40 JDCB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 9913445 RGVLQEBQHRQHNN-UHFFFAOYSA-N 488.610 1.804 10 40 JDCB O=C1NC(=O)N(c2ccc(I)cc2)C(=O)/C1=C\NCCCn1ccnc1 19949607 PHDHXHZPQCVJGZ-UVTDQMKNSA-N 465.251 1.634 10 40 JDCB COCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 16025034 LYPFVUYZWXGCQE-HOKASXAUSA-N 465.506 1.324 10 40 JDCB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 30751529 LXUYQVKXTVRWNM-UHFFFAOYSA-N 459.568 1.615 10 40 JDCB CCn1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(N(C)C)cc2)C(C(=O)OC)=C(C)N=3)c(C)n1 1003072 BFQSLICMSQAZPW-PRWBYUBPSA-N 465.579 1.999 10 40 JDCB COc1ccc(N2CCN(C(=O)c3ccccc3OCCN3CCOCC3)[C@@H](C(N)=O)C2)cc1 257232150 GJPZMFJAQJNASB-JOCHJYFZSA-N 468.554 1.223 10 40 JDCB COc1ccc(N2CCN(C(=O)C[C@@H]3NC(=O)N(Cc4ccc5c(c4)OCO5)C3=O)CC2)cc1 20735848 BMRCHIHMFAHQIR-IBGZPJMESA-N 466.494 1.583 10 40 JDCB CCOC(=O)CN1CCN(CC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1 22135265 CCVMMWFCXAJBST-UHFFFAOYSA-N 462.572 1.105 10 40 JDCB O=C(O)C1=NN(c2ccccc2S(=O)(=O)O)C(=O)[C@@H]1/N=N/c1ccccc1S(=O)(=O)O 104039817 AYEVOOKBKXPJTQ-OYLHUBKDSA-N 468.425 1.120 10 40 JDCB CO[C@H]1CN(C(C)=O)CCCN(Cc2ccc(N3CCCC3)cc2)CCCCOC[C@H](O)[C@@H]1O 643585215 TUCUBZKAGFAUKD-GSDHBNRESA-N 477.646 1.875 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 8611490 ARVAQXNVIZWSMU-LJQANCHMSA-N 486.594 1.316 10 40 JDCB COc1ccc(N2CCN(C(=O)COC(=O)c3c(C)oc(C)c3S(N)(=O)=O)CC2)cc1 32928517 ISTFBYSTLXFIIX-UHFFFAOYSA-N 451.501 1.058 10 40 JDCB CC(=O)OC[C@H]1O[C@@H](N=[N+]=[N-])[C@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 137434611 UJSZDYIUFXNQKN-DUQPFJRNSA-N 460.399 1.113 10 40 JDCB in-vitro O=c1cc(-c2ccccc2)oc2c(CN3CCN([C@H]4CCS(=O)(=O)C4)CC3)c(O)c(O)c(O)c12 95474940 MGOGQCLFKZPAEC-INIZCTEOSA-N 486.546 1.882 10 40 JDCB biogenic Cc1ccc(N2C(=O)NC(=O)/C(=C\[C@@H]3C(=O)NC(=S)N(c4ccccc4)C3=O)C2=O)cc1C 408847978 XOHOPEHRQKAORX-ABPVARSCSA-N 462.487 1.877 10 40 JDCB O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)N[C@H]1CCS(=O)(=O)C1 9612699 SLFUAZQVPWRKDS-NSHDSACASA-N 461.879 1.576 10 40 JDCB COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCc3ccncc3)c3ccco3)CC2)cc1 56946112 MMAKXORWTGUHRC-QFIPXVFZSA-N 463.538 1.979 10 40 JDCB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1cn(C)nc1C 22532391 QGVHEHLUFCSNMQ-OBXYEHHASA-N 451.552 1.516 10 40 JDCB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(N2CCOCC2)cc1 13612167 UZGRCFTWTQHGJY-UHFFFAOYSA-N 459.568 1.783 10 40 JDCB O=C(O)C1=NN(c2ccccc2S(=O)(=O)O)C(=O)[C@@H]1/N=N\c1ccccc1S(=O)(=O)O 104039812 AYEVOOKBKXPJTQ-XAGMJWQQSA-N 468.425 1.120 10 40 JDCB COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 8687811 WAXQLIVNBODIIL-NQIIRXRSSA-N 490.538 1.076 10 40 JDCB [N-]=[N+]=NCCO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2ccccc2)[C@H](O)[C@@H]1OC(=O)c1ccccc1 35880055 ASBLTSYYFYGWPJ-CMXRIWHBSA-N 457.439 1.843 10 40 JDCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1N1C(=O)CCC1=O 223203120 TZOFGPHOHLCOOL-UHFFFAOYSA-N 472.567 1.579 10 40 JDCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 8843437 PJTUVKGLMGLLOR-BUDOKORBSA-N 451.552 1.598 10 40 JDCB COc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 54313904 QQKMRIRIDHMQPC-QHCPKHFHSA-N 495.580 1.182 10 40 JDCB COc1ccc(N2CCN(C(=O)Cn3ccn(-c4cc(F)ccc4C)c(=O)c3=O)CC2)cc1 67320397 CLDQSOBDURDBTE-UHFFFAOYSA-N 452.486 1.804 10 40 JDCB NC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 409227906 XDYMJMHIELSICN-RIYZIHGNSA-N 489.238 1.888 10 40 JDCB O=C(CC1(O)C(=O)c2ccccc2C1=O)c1ccc2c(c1)[C@@]1(O)C(=O)c3ccccc3[C@]1(O)O2 1565524786 NRYSWHSSWIUGMR-FTJBHMTQSA-N 456.406 1.691 10 40 JDCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](CCC(N)=O)C(=O)O)C2=O)cc1 8870112 RWTNFRHORGQIAV-PCRWRXJSSA-N 451.526 1.121 10 40 JDCB O=C(O)[C@H](Cc1ccc(O)c(O)c1)NS(=O)(=O)c1ccc(I)cc1 16429112 FXDMVHWUHPZISC-LBPRGKRZSA-N 463.249 1.677 10 40 JDCB CCNc1nc(NCC)n2c(SCC(=O)N3CCN(CCc4ccccc4)CC3)nnc2n1 32933185 SDQDSMCWWGTXCG-UHFFFAOYSA-N 469.619 1.862 10 40 JDCB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCN(C)CC3)cc2)cc1 58133130 ULDKCTIHAMPFFR-MSOLQXFVSA-N 460.600 1.991 10 40 JDCB O=C1NC(=S)NC(=O)C1=CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 8826451 WBYCEVMJBZRKSD-UHFFFAOYSA-N 477.612 1.678 10 40 JDCB NS(=O)(=O)c1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/c4cccs4)SC3=S)C2=O)cc1 101113369 NAFPYYMYWWUDLG-HRYODUOUSA-N 479.586 1.929 10 40 JDCB COCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@H]2C1=O 247880660 PYERTANNXKMVBR-LGIZFMHMSA-N 485.924 1.751 10 40 JDCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409243654 ZKAOHNVZLAZUJK-GHRIWEEISA-N 469.494 1.895 10 40 JDCB CCOCCCN1C(=O)/C(=C/c2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 8858058 HEVCYOXTMITXNS-PEZBUJJGSA-N 478.596 1.743 10 40 JDCB O=C1NC(=S)NC(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 59488605 KPRONCMIXQWSNO-UHFFFAOYSA-N 495.517 1.560 10 40 JDCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 107607243 WFBJTUWUFSLOJQ-BOPFTXTBSA-N 482.449 1.302 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(N4C(=O)CCS4(=O)=O)cc3)CC2)cc1 11904111 IAAOKKMWLLSCJR-UHFFFAOYSA-N 465.553 1.273 10 40 JDCB COc1ccc(N2CCN(C(=O)COC(=O)CCN3C(=O)c4ccc(C)cc4C3=O)CC2)cc1 25085114 HPOQPJICKNBGID-UHFFFAOYSA-N 465.506 1.882 10 40 JDCB COCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 20566973 LYPFVUYZWXGCQE-KHTISZTLSA-N 465.506 1.324 10 40 JDCB COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(N)=O 108066208 BLPKXFLBUSBYGR-WTKPLQERSA-N 450.279 1.653 10 40 JDCB COc1ccc(/C=C2/SC(=S)N(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)C2=O)cc1 9850502 NFALSZRQCCTYFV-XNTDXEJSSA-N 489.556 1.772 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(C(=O)N4CCOCC4)c3)CC2)cc1 13568858 OSZCGHXYUTWAFD-UHFFFAOYSA-N 475.567 1.687 10 40 JDCB O=C1[C@H]2[C@@H](C(=O)N1C[C@@H]1CCCO1)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(Cl)cc21 15971618 PXKQEAOIWCWYKN-WRNJSPSRSA-N 497.935 1.893 10 40 JDCB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)cc2)NC(=O)N[C@H]1c1ccc(O)c(O)c1 9969302 DIKVDUGTOLTBEU-SFHVURJKSA-N 450.444 1.882 10 40 JDCB COc1ccc(N2CCN(C(=O)CCN3CCN(c4cc(C)nc5ncnn45)CC3)CC2)cc1 29723393 UZNJAYTYNSCSQP-UHFFFAOYSA-N 464.574 1.302 10 40 JDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@H](O)C[C@H]3O[C@H]1C[C@@H](N)[C@H](O)[C@@H](C)O1 5439942 PILBYTNNIUDJPF-QPPKKPFESA-N 485.489 1.070 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(N4C(=O)[C@@H](C)CS4(=O)=O)cc3)CC2)cc1 11904149 RNBQPFHWUNXENP-INIZCTEOSA-N 479.580 1.519 10 40 JDCB COCCn1c(=O)c2sccc2n(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 57485972 FQERCMCJPHTUOP-UHFFFAOYSA-N 458.540 1.229 10 40 JDCB COc1ccc(OC)c(S(=O)(=O)NCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 89355888 XGPRBGCQVISFCM-UHFFFAOYSA-N 463.556 1.477 10 40 JDCB COCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O 247816096 BFLLMGXTOGRSPH-LEWJJULVSA-N 471.897 1.361 10 40 JDCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)N1CCOCC1 409200833 JLGLZZIUIYTQQU-AQTBWJFISA-N 465.462 1.599 10 40 JDCB COc1ccc(N2CCN(C(=O)Cn3ccn(-c4ccccc4OC)c(=O)c3=O)CC2)cc1 67256439 GYQOAESSVHQEEQ-UHFFFAOYSA-N 450.495 1.365 10 40 JDCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NN3CCN(C)CC3)C2=O)cc1 8819569 CIQWHIAQBVWZJH-VKAVYKQESA-N 462.597 1.733 10 40 JDCB COc1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 9926439 UGWSXIIYSWGJTR-OAQYLSRUSA-N 481.509 1.283 10 40 JDCB CCN1C(=O)/C(=C/c2c(N3CCN(CCO)CC3)nc3ccc(C)cn3c2=O)SC1=S 20103358 GCIINRLEGGGBJJ-VBKFSLOCSA-N 459.597 1.338 10 40 JDCB COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3cc(C)cc(C)c3)CC2)cc1 96302096 BWWLFVDRUSRKFR-DEOSSOPVSA-N 493.608 1.790 10 40 JDCB O=C(O)CN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)c2ccccc21 2315024 MZCJYVXHGJZAFH-NXVVXOECSA-N 455.473 1.740 10 40 JDCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1ccc(S(N)(=O)=O)cc1 20287302 ILHYXEYLHRSQPX-MOSHPQCFSA-N 487.494 1.572 10 40 JDCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 8426452 RNVWQEXZOPUPTN-PRWBYUBPSA-N 465.579 1.906 10 40 JDCB COc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc(OC)c1O 9281143 JUUFZQPZUSHSQB-AEFOGHSISA-N 459.484 1.277 10 40 JDCB COCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 16024900 HTAZJWGWTPBPLV-HOKASXAUSA-N 465.506 1.324 10 40 JDCB O=C1NC(=S)NC(=O)C1=Cc1cc(Br)cc(I)c1O 59426360 APNDAWWAZALFKE-UHFFFAOYSA-N 453.055 1.674 10 40 JDCB COc1ccc(N2CCN(C(=O)COC(=O)/C(=C/c3ccccc3)n3nnnc3C)CC2)cc1 9634184 WSQOJQFGWKYXQO-JWGURIENSA-N 462.510 1.880 10 40 JDCB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c(OC)c1 22733994 TWDVPFPGLYYRFC-QFIPXVFZSA-N 468.554 1.824 10 40 JDCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OS(C)(=O)=O)c(Cl)c3)C(=O)N=C2S1 41084161 NPRYGDLASVJGJB-FUMQGXJOSA-N 476.945 1.690 10 40 JDCB Nc1nc(N)c(/N=N/c2c(Br)cc(S(N)(=O)=O)cc2Br)c(N)n1 100459170 FKTXKJAEVJVTPW-FMQUCBEESA-N 466.119 1.811 10 40 JDCB COc1c2c(cc3c1[C@H](CN/C=C1\C(=O)NC(=S)N(Cc4ccccc4)C1=O)N(C)CC3)OCO2 2145597 ZJTGPMQFTPEPJV-RLGUWMIQSA-N 494.573 1.870 10 40 JDCB COCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 13575255 HTAZJWGWTPBPLV-LZISPXOZSA-N 465.506 1.324 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 8611492 ARVAQXNVIZWSMU-IBGZPJMESA-N 486.594 1.316 10 40 JDCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCCc3ccccc3)N3CCOCC3)ccc21 16838416 HWVSLRHSWYLUMN-XMMPIXPASA-N 450.583 1.917 10 40 JDCB COCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 20567045 WTNRNUUVOJWIHG-MDTICMOCSA-N 469.469 1.237 10 40 JDCB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)N1CCOCC1 9233795 ZZNXQNWVBIHOCO-MHWRWJLKSA-N 466.537 1.609 10 40 JDCB CCN(C(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)[C@@H]1CCS(=O)(=O)C1 9612808 TUXORAWFDMZUJH-CQSZACIVSA-N 455.488 1.654 10 40 JDCB COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc3C)CC2)cc1 13567091 OQSFYELYAMSRKC-UHFFFAOYSA-N 489.594 1.752 10 40 JDCB CCCN1C(=O)/C(=C/c2c(N3CCN(CCO)CC3)nc3c(C)cccn3c2=O)SC1=S 20083710 AGQNCJZWKKOIEZ-VKAVYKQESA-N 473.624 1.728 10 40 JDCB CN1CCN([C@@H](CNC(=O)C(=O)NCCc2ccccc2)c2ccc3c(c2)CCCN3C)CC1 22735224 BOCBUTXFOACUOC-VWLOTQADSA-N 463.626 1.833 10 40 JDCB COc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3C(=O)c3cccc(C)c3)CC2)cc1 9926445 AQHGBNKTFKDMDP-QFIPXVFZSA-N 450.539 1.683 10 40 JDCB CCCCn1nnc(NC(=S)NC(=O)/C=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 57316657 AXKWWEWYRCKLQI-FNORWQNLSA-N 460.520 1.744 10 40 JDCB Cc1cc(C(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)c(C)n1-c1ccc2c(c1)OCO2 22802134 CUOIGMIXQCPFJF-UHFFFAOYSA-N 468.554 1.482 10 40 JDCB COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22809511 MMVKUSWMUVOYRU-HSZRJFAPSA-N 453.587 1.482 10 40 JDCB CCCCN1C(=O)NC(=O)/C(=C\c2c(CCN(C)C(=S)NC)cc3c(c2OC)OCO3)C1=O 17196316 HLAKFYIOYFPVBN-RVDMUPIBSA-N 476.555 1.664 10 40 JDCB biogenic CCN(C(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)[C@H]1CCS(=O)(=O)C1 9612809 TUXORAWFDMZUJH-AWEZNQCLSA-N 455.488 1.654 10 40 JDCB CCNc1nc(NCC)n2c(SCC(=O)NC[C@@](C)(CC)N3CCOCC3)nnc2n1 40155453 VVDYALIFCXOUEZ-LJQANCHMSA-N 451.601 1.092 10 40 JDCB Cn1c(Sc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2[N+](=O)[O-])nc2ccccc2c1=O 59488553 YLYZPZGPILWYKE-UHFFFAOYSA-N 451.420 1.742 10 40 JDCB O=C1NC(=O)C(=Cc2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)C(=O)N1 409184256 VRBJACQJJRWHMM-UHFFFAOYSA-N 454.258 1.270 10 40 JDCB COc1ccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)N4CCOCC4)cc3)CC2)cc1 38757042 KSHQUHLAKJNLOX-UHFFFAOYSA-N 459.568 1.820 10 40 JDCB O=C(CC1(O)C(=O)c2ccccc2C1=O)c1ccc2c(c1)[C@]1(O)C(=O)c3ccccc3[C@]1(O)O2 1565524790 NRYSWHSSWIUGMR-UIOOFZCWSA-N 456.406 1.691 10 40 JDCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)NCCN1C(=O)CSC1=S 9544319 DZLYXTKBETYIBX-UHFFFAOYSA-N 468.512 1.595 10 40 JDCB CN(C)c1ccc([C@H]2N=C3NCN(CCN4CCOCC4)CN3c3nc4ccccc4n32)cc1 22933580 DJDVPWLOEAXIKW-QHCPKHFHSA-N 460.586 1.978 10 40 JDCB COc1ccc(N2CCN(C(=O)c3ccccc3OCCN3CCOCC3)[C@H](C(N)=O)C2)cc1 257232151 GJPZMFJAQJNASB-QFIPXVFZSA-N 468.554 1.223 10 40 JDCB CCN1CCN(CC(=O)O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(=O)C1=O 32928599 BIMUOXDCMCXJLK-AWEZNQCLSA-N 477.473 1.023 10 40 JDCB CCN1CCN(CC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)C(=O)C1=O 32928596 FYIVJUHBXHYWMT-UHFFFAOYSA-N 469.494 1.282 10 40 JDCB O=c1cc(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c2cc(O)c(O)cc2o1 25315321 LJGVEBDYZYEXQX-UHFFFAOYSA-N 474.491 1.482 10 40 JDCB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCN(C)CC3)cc2)cc1 58133124 ULDKCTIHAMPFFR-ROUUACIJSA-N 460.600 1.991 10 40 JDCB COc1ccc(N2CCN(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)[C@@H](C(=O)N(C)C)C2)cc1 257274856 NMWZUEPYEWJKIV-HXUWFJFHSA-N 452.515 1.082 10 40 JDCB NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br 409225439 PTBAKVZCIDRCBL-NTUHNPAUSA-N 460.240 1.685 10 40 JDCB COc1ccc(N2CCN(C(=O)[C@@H](C)N(c3ccc4c(c3)OCCO4)S(C)(=O)=O)CC2)cc1 408702249 AKFPMUQYPZBOTD-QGZVFWFLSA-N 475.567 1.970 10 40 JDCB CCn1c(=O)oc2cc(NC(=O)CN3CCN(c4ccc(OC)cc4)C[C@@H]3C(=O)N(C)C)ccc21 257231616 GHLLPRAGMUDMAA-OAQYLSRUSA-N 481.553 1.841 10 40 JDCB COc1ccc(N2CCN(C(=O)CSc3nn4c(=O)c5c(nc4s3)CCN(C)C5)CC2)cc1 15414173 LNLAKSHTUVBNCL-UHFFFAOYSA-N 486.623 1.588 10 40 JDCB CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)c2ccc3c(c2)CCCN3C)CC1 22735089 BRKSUAQGYOYQMQ-QHCPKHFHSA-N 493.608 1.519 10 40 JDCB O=C1/C(=C/c2c(NCCOCCO)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 8858055 OSXIFPKOZMJNOB-IZCBMXNHSA-N 476.580 1.496 10 40 JDCB CN(C)c1ccc(CN(C(=O)c2nc(S(C)(=O)=O)ncc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 16806401 KISNPHRTRQPYQQ-OAHLLOKOSA-N 487.003 1.429 10 40 JDCB Cc1ccc(N2C(=O)NC(=O)/C(=C\[C@H]3C(=O)NC(=S)N(c4ccccc4)C3=O)C2=O)cc1C 408847982 XOHOPEHRQKAORX-YTBHAWNYSA-N 462.487 1.877 10 40 JDCB COc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4CC4(C(=O)NC(=O)NC4=O)[C@@H]3C2)cc1 16996040 CGKBPJJOOSSWKR-SFHVURJKSA-N 451.439 1.207 10 40 JDCB CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)N1CCOCC1 409208172 BPDCKJLEMIAHIA-XMHGGMMESA-N 451.479 1.784 10 40 JDCB COc1cccc([C@@H]2N[C@@](C)(C(=O)O)[C@@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C(=O)[C@@H]23)c1O 8892231 PJDZMWGQPZQPEB-SCYDXJQRSA-N 453.451 1.653 10 40 JDCB Cc1cc(C(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)c(C)n1-c1ccc2c(c1)OCCO2 84080280 QTILZTGSLYISFG-UHFFFAOYSA-N 482.581 1.524 10 40 JDCB COc1ccc(CCN2C(=O)NC(=O)/C(=C/N[C@@H](CO)Cc3ccccc3)C2=O)cc1OC 20591831 WTZUHVXGNZAILR-GXYBQNOFSA-N 453.495 1.402 10 40 JDCB COCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16025094 WTNRNUUVOJWIHG-XXPWESIGSA-N 469.469 1.237 10 40 JDCB COCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O 247816099 BFLLMGXTOGRSPH-LONFEIEESA-N 471.897 1.361 10 40 JDCB CCOC(=O)C1=C(CC)Nc2ccccc2N=C1N/C=C1/C(=O)NC(=S)N(CCOC)C1=O 102908531 FGRSEKONNRHGQK-SEYXRHQNSA-N 471.539 1.733 10 40 JDCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 8843094 QRHJCJOTZUONRN-UHFFFAOYSA-N 475.435 1.805 10 40 JDCB COc1ccc(N2CCN(CCCn3c(C)cn4c5c(=O)n(C)c(=O)n(C)c5nc34)CC2)cc1 9421394 AQNPDMLGWAINJD-UHFFFAOYSA-N 465.558 1.216 10 40 JDCB Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N1CCOCC1 10113426 CJHXENUMJDJOGJ-UHFFFAOYSA-N 459.568 1.783 10 40 JDCB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 32772589 PNBXHEUFMOFNHM-QGZVFWFLSA-N 474.583 1.807 10 40 JDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cccc(OC)c3OC)CC2)cc1 16953936 ZWLGZUHIZCBPFY-UHFFFAOYSA-N 463.556 1.594 10 40 JDCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(N3CCN(CCO)CC3)nc12 20081301 MNRMRYXUVLVMEV-LGMDPLHJSA-N 473.624 1.727 10 40 JDCB O=C1c2ccccc2C(=O)c2c(Nc3ccc(S(=O)(=O)N(CCO)CCO)cc3)ccc(O)c21 4824606 RWRVDPVYYPGYQI-UHFFFAOYSA-N 482.514 1.887 10 40 JDCB COc1ccc(N2CCN(C(=O)Cn3nc4n(c3=O)C(=O)N(c3ccc(OC)cc3)C4)CC2)cc1 66091305 MWMUGNUMGZQFHV-UHFFFAOYSA-N 478.509 1.399 10 40 JDCB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)c2ccc3c(c2)CCCN3C)CC1 22735050 VHVAVMKAMHZMEV-JOCHJYFZSA-N 479.581 1.841 10 40 JDCB C[C@]1(O)CC2(CCN(Cc3cc(CC(=O)O)ccc3O)CC2)OC[C@@H]1n1ccc(O)nc1=O 257205777 BANJTBALGLKYQB-AVRDEDQJSA-N 459.499 1.029 10 40 JDCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1O[C@@H](C)C(=O)O 409246853 FISMVVSQPBLBDS-KYJZABPNSA-N 454.391 1.942 10 40 JDCB O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4ccccc41)CC[C@@H]3O)N(Cc1ccccc1O)C2 514287672 XNARADIHEREVOT-ZTPZMLKQSA-N 495.576 1.572 10 40 JDCB O=C1NC(=O)C(=Cc2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c([N+](=O)[O-])c2)C(=O)N1 59488822 TXUHZCGMWUZBLX-UHFFFAOYSA-N 479.449 1.395 10 40 JDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@@H]3S(=O)(=O)O 5812243 ZKBYWMRIHIDIJE-LAJNKCICSA-N 462.432 1.077 10 40 JDCB CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)CC1 10188438 XMLOUBPERYIIRT-DEOSSOPVSA-N 463.582 1.663 10 40 JDCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCC(N)=O 408533345 YCXUKJMDOMENGF-WZUFQYTHSA-N 475.264 1.270 10 40 JDCB Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)NCCN3C(=O)CSC3=S)cc2C1=O 3508178 QEQXNFHDPYANOW-UHFFFAOYSA-N 497.554 1.929 10 40 JDCB COCn1[nH]cnc1=NCCn1c2c(c3ccc(OC)c(OC)c3c1=O)C(=O)c1ccccc1-2 604403887 CAHVXVHSFHBZTE-UHFFFAOYSA-N 461.478 1.960 10 40 JDCB biogenic COCCN1C(=O)/C(=C\c2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2678594 SJHWXHPOBCDURK-DTQAZKPQSA-N 459.597 1.602 10 40 JDCB COCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16025093 WTNRNUUVOJWIHG-QJHDXQOESA-N 469.469 1.237 10 40 JDCB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)N3CCOCC3)ccc21 22733976 VMHKKPKEUABKNV-NRFANRHFSA-N 466.538 1.578 10 40 JDCB CC(C)Cn1c(N)c(C(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c(=O)n(C)c1=O 13097309 FKZYCLNAEGEICC-UHFFFAOYSA-N 489.484 1.600 10 40 JDCB CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@@H](N)[C@@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O 40555047 XDXDZDZNSLXDNA-IORCQPJQSA-N 497.500 1.020 10 40 JDCB COc1ccc(N2CCN(CCNC(=O)N[C@@H]3CC(=O)N(c4ccc(OC)c(OC)c4)C3)CC2)cc1 56946409 MSLLWWJJLDIFOX-LJQANCHMSA-N 497.596 1.939 10 40 JDCB CC(=O)N1CCN(C(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)CC1 10188439 XMLOUBPERYIIRT-XMMPIXPASA-N 463.582 1.663 10 40 JDCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCC(=O)OC 59139798 DMQRFIDTXDKTQK-UHFFFAOYSA-N 471.329 1.998 10 40 JDCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(I)c1OC(C)=O 2772665 KRNUFIJQTUPJRG-UHFFFAOYSA-N 458.208 1.659 10 40 JDCB COc1ccc(N2CCN(C(=O)Cn3nc4nc(Nc5ccccc5)ccn4c3=O)CC2)cc1 57507464 JFHVKZHQDBAMPU-UHFFFAOYSA-N 459.510 1.992 10 40 JDCB Nc1ccc(N([C@@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 575424836 ONMWNILXDHZOHR-HZPDHXFCSA-N 451.353 1.929 10 40 JDCB O=C(COC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 102768609 KJXLIZNQEYTZJL-IAGOWNOFSA-N 472.453 1.895 10 40 JDCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2C)cc1 9120716 SZIIPXLBSUGVIH-UHFFFAOYSA-N 463.494 1.576 10 40 JDCB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)c2ccc3c(c2)CCN3C)CC1 22734316 RFWZMHAXLNGFPW-QFIPXVFZSA-N 479.581 1.494 10 40 JDCB CC(C)CN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NNC=C1C(=O)NC(=O)NC1=O 59490008 QSDDSWFWFDVTMY-UHFFFAOYSA-N 482.519 1.064 10 40 JDCB COc1ccc(N2CCN(C3=NC(=O)C[C@@H](C(=O)Nc4ccc(NC(C)=O)cc4)N3)CC2)cc1 25185683 OJVGVUXEKRFLPK-NRFANRHFSA-N 464.526 1.659 10 40 JDCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1ccc(S(N)(=O)=O)cc1 9059546 NZRPXIPKDGXELV-MOSHPQCFSA-N 460.487 1.803 10 40 JDCB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1OC 22735788 VVBSLFQIHUMPTL-JOCHJYFZSA-N 474.627 1.963 10 40 JDCB COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22809505 MMVKUSWMUVOYRU-QHCPKHFHSA-N 453.587 1.482 10 40 JDCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCC(=O)OC 59139836 UVYFNOCJKFMMIO-UHFFFAOYSA-N 471.329 1.998 10 40 JDCB COc1ccc(N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccccc3)CC2)cc1 2440209 XHPKMOIQVIRHNF-UHFFFAOYSA-N 460.538 1.817 10 40 JDCB COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccc(C)cc3)CC2)cc1 20638732 YGCYXWMKFZKXOC-HSZRJFAPSA-N 479.581 1.481 10 40 JDCB CN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)O)c(Br)c2)C(=O)NC1=S 408914919 RSCGIGJWHZRJBR-FARCUNLSSA-N 478.118 1.932 10 40 JDCB Cc1c(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c(=O)oc2c(O)c(O)ccc12 9435312 GULVEVUQDYPBJP-FQEVSTJZSA-N 480.473 1.566 10 40 JDCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 24776871 SXBBWARLWGZJGJ-UHFFFAOYSA-N 479.624 1.807 10 40 JDCB COc1cccc([C@@H]2N[C@](C)(C(=O)O)[C@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C(=O)[C@@H]32)c1O 15306755 PJDZMWGQPZQPEB-FXKZBUDASA-N 453.451 1.653 10 40 JDCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 34721163 VKXMSIOLEGGJRB-YBEGLDIGSA-N 486.868 1.947 10 40 JDCB O=C1/C(=C/c2c(N3CCN(CCO)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 19707565 YPJICRNXFIFDSQ-JXAWBTAJSA-N 497.602 1.803 10 40 JDCB COC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1I 408911790 DJBSKYGRQNTBBV-WEVVVXLNSA-N 460.249 1.100 10 40 JDCB COCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@H]2C1=O 247880662 PYERTANNXKMVBR-UDQIJZATSA-N 485.924 1.751 10 40 JDCB COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3cccc(Cl)c3)CC2)cc1 20803171 OCCUDPWZVMZSMP-JOCHJYFZSA-N 499.999 1.826 10 40 JDCB CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1CC1(O)CCN(c2ccc(OC)cc2)CC1 257330332 XNXNAXCROMVYIU-XMMPIXPASA-N 452.599 1.959 10 40 JDCB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c(OC)c1 22734334 NFNDHDUKARSVEU-HSZRJFAPSA-N 481.597 1.740 10 40 JDCB COc1ccc(N2CCN(C(=O)CN3CCC4(CC3)NC(c3ccccn3)=NO4)CC2)cc1 67317439 GNUDXPANRGZYSY-UHFFFAOYSA-N 450.543 1.513 10 40 JDCB CCCCN1C(=O)/C(=C/NC[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)C(=O)NC1=S 100755802 XPHVDJOWXHRHGU-YVGNARHYSA-N 460.556 1.470 10 40 JDCB biogenic O=C1c2ccccc2C(=O)c2c1c(C(=O)N1CCN([C@@H]3CCS(=O)(=O)C3)CC1)c1ccccn21 95479701 CRFQSMJVFUPGEO-MRXNPFEDSA-N 477.542 1.660 10 40 JDCB COc1cccc([C@H]2N[C@@](C)(C(=O)O)[C@@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C(=O)[C@H]23)c1O 15306750 PJDZMWGQPZQPEB-VOLVWJTLSA-N 453.451 1.653 10 40 JDCB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16024698 ODYPHDYPIVVQSP-BATOJLOWSA-N 453.470 1.999 10 40 JDCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(NCCOCCO)nc12 8858091 SBNDAZXQAWPEJR-UHVIJJLKSA-N 490.607 1.804 10 40 JDCB CN1CCN([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccc(N(C)C)cc2)CC1 23080599 FXUIZEVXRCCPEM-NRFANRHFSA-N 460.600 1.791 10 40 JDCB O=C1N=C(O)/C(=C/NCCCN2CCOCC2)C(=O)N1c1ccc(I)cc1 102510375 BGJSZUYLVHMBSQ-QINSGFPZSA-N 484.294 1.910 10 40 JDCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)cc1 408533627 OQHFKRSKFDAYJM-SDNWHVSQSA-N 480.437 1.763 10 40 JDCB COc1ccccc1N1C(=O)C(=CNCCN2CCNCC2)C(=O)N(c2ccccc2OC)C1=S 19997555 BDEKVWOMQOQHKF-UHFFFAOYSA-N 495.605 1.747 10 40 JDCB O=C(O)[C]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)C(O)=C(O)[C@@H]1O 1560406596 FJBYSJHSMCHDAF-LAUBAEHRSA-N 459.339 1.617 10 40 JDCB COCCN1C(=O)/C(=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)C(C(=O)OC)=C1C 58903823 BXWUEZKUAZWPNM-PQDCBLBRSA-N 458.511 1.680 10 40 JDCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)N1CCOCC1 409209694 HFXPEIUXMCLSIV-RGEXLXHISA-N 479.489 1.989 10 40 JDCB CC(=O)N1C(=O)/C(=C2\SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)c2cc(Br)ccc21 2296979 NPXDLNKMWJIBHR-JBEXSADBSA-N 499.320 1.842 10 40 JDCB COCCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCC3)c3ccccc23)C(=O)NC1=S 6288607 HBMVXRUMEQTYFC-QGOAFFKASA-N 454.552 1.927 10 40 JDCB COc1ccc2c3c(n(C[C@H](O)CN4CCOCC4)c(=O)c2c1OC)-c1ccccc1C3=O 604405141 XGKCXJHTRJTQKS-OAHLLOKOSA-N 450.491 1.923 10 40 JDCB biogenic COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)N1CCOCC1 40937758 VGCARDXVFRZHDJ-LFIBNONCSA-N 466.537 1.609 10 40 JDCB