smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1O[C@@H](C)c1ccccc1 41077902 VCAISBCMIUMZNU-HWVDGEFYSA-N 484.559 3.456 10 40 JGCB CN(C)c1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1Br 103596824 BBDNVPOTWFUZKZ-NSULGNGFSA-N 489.399 3.147 10 40 JGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc2c(c1)OCO2 106498927 XATIHVFKEQUGQP-WQRHYEAKSA-N 473.397 3.004 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C2=O)cc1 408891957 WIJBZFQYEBOECE-PXLXIMEGSA-N 492.509 3.438 10 40 JGCB COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1/C=C1/C(=O)N(C2CC2)C(=S)N=C1O 17198182 NJLIUTCDUVEZEJ-VCHYOVAHSA-N 491.525 3.129 10 40 JGCB CN(C)c1cc2[nH]c(O)nc2cc1N/C=C1\C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 408531649 OTNJSGOJCGQCNO-NTCAYCPXSA-N 456.462 3.067 10 40 JGCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(Oc3ccc(F)cc3)nc12 13770101 GCENNTNLTOIDLE-DHDCSXOGSA-N 471.491 3.220 10 40 JGCB COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 408882952 OTMAUZBGKANKPC-CXUHLZMHSA-N 462.243 3.275 10 40 JGCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1 409065951 JLJDMRZSELMYIN-MOSHPQCFSA-N 498.900 3.480 10 40 JGCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NC3=NCCS3)C2=O)cc1 2701154 QXTJHUKDVJZHAW-SSZFMOIBSA-N 477.633 3.454 10 40 JGCB O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21)NCc1ccco1 6446201 MLSBWDZVAOUXAU-LPYMAVHISA-N 482.496 3.213 10 40 JGCB O=C1N/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1 9265243 ADKWZSSDMBFYAH-GZTJUZNOSA-N 487.310 3.287 10 40 JGCB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4F)cc3)C(=O)N=C2S1 41077803 NQOJGRZSCDOSKP-QNPDVEALSA-N 458.496 3.026 10 40 JGCB Cc1cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 41084375 ZHQVASWWKKWZPX-QAPXJYDZSA-N 452.515 3.142 10 40 JGCB CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)OC3(CCCC3)OC2=O)C1 59489891 WIUBUBDDAHMCQW-KRWDZBQOSA-N 485.537 3.433 10 40 JGCB CN1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccc(Br)cc23)SC1=S 409148175 OWKOQKBNACZXPD-PXNMLYILSA-N 480.409 3.094 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OC(C)=O 8496683 HIAHMCRLZOBVJB-PXNMLYILSA-N 459.296 3.461 10 40 JGCB C[C@@H](Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)C(=O)O 33705246 YPRVJGWDRMIUCD-QVASGMJFSA-N 465.687 3.416 10 40 JGCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cccc(I)c1 59139315 SFKLUILZHGKUAZ-UHFFFAOYSA-N 479.343 3.297 10 40 JGCB COc1ccc(N2CCN(C(=O)CSc3nc4cc(C)[nH]c4c(=O)n3CC(C)C)CC2)cc1 67237829 PFOQBPSSNSEDCJ-UHFFFAOYSA-N 469.611 3.139 10 40 JGCB Cc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 409258071 WDWHEJKVFQICBA-ZHZULCJRSA-N 471.469 3.385 10 40 JGCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1 13898986 PSTDUJYANDFKSA-UHFFFAOYSA-N 460.939 3.338 10 40 JGCB COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(OC)c(Cl)c3)CC2)c([N+](=O)[O-])c1 14269017 QQPMFEGXWJJPGS-UHFFFAOYSA-N 464.931 3.102 10 40 JGCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccc(F)cc1F 35104793 HPHZTTAISFZDNX-YBFXNURJSA-N 459.474 3.476 10 40 JGCB O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl 408853353 NXXUHRRQOFPJDJ-NTUHNPAUSA-N 479.670 3.232 10 40 JGCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2)C1=O 409099966 SFHCLGGOHZXUQV-LDADJPATSA-N 451.548 3.444 10 40 JGCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(N)=O 409339866 LZQHFBTZCHYOKY-YVLHZVERSA-N 491.978 3.149 10 40 JGCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N(CCS(=O)(=O)O)C3=O)o2)c([N+](=O)[O-])c1 8821538 CHAGJAILNNODGU-OQLLNIDSSA-N 454.507 3.252 10 40 JGCB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(O)c(O)c1)n2CC 23647204 ZAHYOCWWPHGJQN-UHFFFAOYSA-N 463.581 3.473 10 40 JGCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OC(=O)c1ccc(F)cc1 41077930 JBAZNLUCEMRIQN-UHFFFAOYSA-N 491.269 3.250 10 40 JGCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)C(=O)N=C2S1 41083847 PLMWUZLBLKZCIT-JMCWYTMQSA-N 471.564 3.114 10 40 JGCB COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 229940709 GNHJRZZAACCNPM-CBUXHAPBSA-N 487.531 3.410 10 40 JGCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1)Nc1ccc(F)cc1 408694722 LXWSUJMFIQVVPY-DEDYPNTBSA-N 451.454 3.248 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC)c(OC)c3)C2=O)cc1 1207465 BBSRGVSHUJSZNW-RIYZIHGNSA-N 461.268 3.141 10 40 JGCB Cc1cc(C(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)c(C)n1-c1ccc2c(c1)OCO2 3368627 FOQLYERXJATZSW-UHFFFAOYSA-N 459.458 3.109 10 40 JGCB COc1ccc(N2CCN(C(=O)COc3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)CC2)cc1 13584810 QHBDBQILZXUSKC-UHFFFAOYSA-N 495.601 3.248 10 40 JGCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OC 13751270 OTCGNNPUIFGYFG-SXGWCWSVSA-N 475.504 3.167 10 40 JGCB COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)CCCc4ccccc4)CC3)CC2)cc1 26111578 HHRUVOUKPPVYPL-UHFFFAOYSA-N 485.650 3.018 10 40 JGCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 408945112 VXARZXZAHNJEIL-RIYZIHGNSA-N 490.266 3.431 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(N4CCCC4)cc3OC)C(=O)NC2=S)cc1 409092422 XXZNPHDZGPBOIT-LDADJPATSA-N 467.547 3.144 10 40 JGCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)c([N+](=O)[O-])c1 409234319 ZIDDQFXWPUKRFI-VCHYOVAHSA-N 461.434 3.072 10 40 JGCB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N(CCO)Cc1ccccc1 8819651 WHPCFVGCLZGXGI-STZFKDTASA-N 484.599 3.418 10 40 JGCB CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC=C1C(=O)NC(=S)NC1=O 9331755 SBAOJWSVQUHMNA-UHFFFAOYSA-N 480.365 3.181 10 40 JGCB CCc1cccc2c(/C=C3/C(=O)N(c4ccc(F)cc4)C(=S)N=C3O)cn(CC(N)=O)c12 33333456 VVBFBNUUTJHQSH-VCHYOVAHSA-N 450.495 3.500 10 40 JGCB O=C(O)COc1ccccc1[C@H]1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c21 96115561 MMIJJQGEUISIKD-CQSZACIVSA-N 490.420 3.481 10 40 JGCB biogenic COc1ccc2c3c(n(CC(=O)NCc4nc(C(C)C)no4)c(=O)c2c1OC)-c1ccccc1C3=O 604404176 KOQUSBXAPKIZIM-UHFFFAOYSA-N 488.500 3.053 10 40 JGCB biogenic CCOc1cc(C=C2C(=O)N(CC)C(=O)N(CC)C2=O)cc(I)c1OCC 2772900 TXFOZHUPUSTOCA-UHFFFAOYSA-N 486.306 3.303 10 40 JGCB CCCCOc1ccc(/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc1OC 8828400 RDNZSVQCHDTNLS-RERGGYADSA-N 453.538 3.393 10 40 JGCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(N4CCOCC4)c(F)c3)C2=O)c(OC)c1 9970970 OUCODUCKYQNGDX-LFIBNONCSA-N 455.442 3.186 10 40 JGCB C[C@H](O)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 16735900 PBGAKEHUJDKJLI-NWRYFCBHSA-N 470.551 3.028 10 40 JGCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)O 16915170 LOUDCYXIIAALDC-CXUHLZMHSA-N 478.935 3.358 10 40 JGCB CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18077502 HDYVQDHILRIKCV-VABKMULXSA-N 498.466 3.479 10 40 JGCB Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c2C)c(C)c1 41077692 XOOJVVMGJLWCIB-OXMFYWCOSA-N 455.565 3.332 10 40 JGCB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C(=O)N=C2S1 41077872 FZWOZQNCJLRRQM-KMFLQCEESA-N 481.534 3.450 10 40 JGCB COC(=O)C[C@H](c1ccncc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96221921 ZZSMYMPCTPYKQX-CYBMUJFWSA-N 465.414 3.078 10 40 JGCB biogenic COC(=O)[C@@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 100421382 JBGYSLNZBCIAIR-UKWMHNODSA-N 469.541 3.271 10 40 JGCB CCN1/C(=c2/s/c(=C3/C(=O)N(c4ccccc4)N=C3C)n(CC)c2=O)C=Cc2ccccc21 100501652 XBMRNGWSTKUFSE-HAWGUCPISA-N 456.571 3.165 10 40 JGCB COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)c2C)c([N+](=O)[O-])c1 223582752 CFCIOVYNZOHCEX-FCHUYYIVSA-N 467.551 3.371 10 40 JGCB COc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)ccc2OC(C)=O)C1=O 408534074 LCLMDTUTEDRYOI-UVTDQMKNSA-N 459.252 3.049 10 40 JGCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC 409188554 DBLXZGDKMZWTFZ-RIYZIHGNSA-N 460.895 3.277 10 40 JGCB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccccc1Cl 4509067 OOGWFYZIHAHLCZ-YMFQVDJJSA-N 467.978 3.128 10 40 JGCB Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)CN3C(=O)c4ccccc4S3(=O)=O)c2C)c1 9377991 ISKQTNMBZBCURM-UHFFFAOYSA-N 480.542 3.282 10 40 JGCB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)N3CCOCC3)ccc21 21887170 OIXJVASDYZWKJZ-QFIPXVFZSA-N 490.526 3.216 10 40 JGCB CCOc1cc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)ccc1O[C@@H](C)C(=O)O 32115726 QDHJNHCJCSFIKV-MFVBVHDHSA-N 454.435 3.453 10 40 JGCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)c1 223148583 WOUIDHAEHGTZBX-JWQCQUIFSA-N 476.650 3.497 10 40 JGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)C2=O)cc1 408740411 KDHVRTLVTUCRGH-NTUHNPAUSA-N 476.239 3.128 10 40 JGCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2nnnn2-c2ccccc2)o1 408994299 ZDUQLUTVGWEOMM-GHRIWEEISA-N 474.527 3.238 10 40 JGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccccc1NC(=O)C(F)(F)F 100954421 HVZVFLIUQOEIIK-XFXZXTDPSA-N 452.776 3.420 10 40 JGCB CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccccc3)c(O)c12 263607243 RSNSKUBBVCGSND-UHFFFAOYSA-N 465.465 3.413 10 40 JGCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCn4ccnc4)c4ccccc34)[C@H]21 1565524979 UCVWNZQRPFZWOG-SANMLTNESA-N 468.561 3.191 10 40 JGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Br)c3)C2=O)c1 9311097 UPQZRXSKUFGOBH-OVCLIPMQSA-N 473.279 3.196 10 40 JGCB CCOC(=O)CSCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC 9553476 OUQFMVUPZDFKPN-QGOAFFKASA-N 498.557 3.345 10 40 JGCB COc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1Cl 13671381 IFAZXVSECGXLKN-UHFFFAOYSA-N 451.976 3.031 10 40 JGCB COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C/NC3CCN(Cc4ccccc4)CC3)C2=O)c1 102581732 LHEDFDXEKXFXGB-HKWRFOASSA-N 464.522 3.265 10 40 JGCB O=C(C[C@H](c1c(O)nc2ccccn2c1=O)C1CCCCC1)NCCc1ccc(O)c(O)c1 217595616 IENYYDKGCXTGPD-SFHVURJKSA-N 451.523 3.224 10 40 JGCB biogenic COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 9339673 DCYODVLGXZJHMZ-HMAPJEAMSA-N 495.491 3.466 10 40 JGCB CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=N)N21 32961248 GGEGUVDQDOFFES-AJUKGGFZSA-N 472.504 3.045 10 40 JGCB COc1ccc(C2=NC3(CCCCC3)N(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)C2=O)cc1 71768973 UGSCZDBBLGKACK-UHFFFAOYSA-N 490.604 3.344 10 40 JGCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1 106701140 ONMIZCCYRUIATQ-UYRXBGFRSA-N 468.491 3.106 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1O 408887507 RFHVNMVVZVXZCY-RIYZIHGNSA-N 492.269 3.370 10 40 JGCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)N(CCO)c3ccccc3)C2=O)cc1 8819598 ICKNIISVKPRJKP-SILNSSARSA-N 484.599 3.480 10 40 JGCB Cc1cccc(N2C(=O)/C(=C\c3cc(Br)c(N4CCOCC4)o3)C(=O)NC2=S)c1C 16349999 WYXIAGCCQTXHQD-GDNBJRDFSA-N 490.379 3.327 10 40 JGCB O=C1[C@H]2[C@@H](c3ccccc3F)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 95482978 NNYTZILOBOTYDW-QHAWAJNXSA-N 486.411 3.429 10 40 JGCB CCN(CC)c1ccc(C=c2sc3nc(-c4cc(OC)c(OC)c(OC)c4)nn3c2=O)cc1 254715373 GFMOTYYMURONFG-UHFFFAOYSA-N 466.563 3.238 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 408895974 OQKOQRXFLOAOMO-XSFVSMFZSA-N 492.509 3.438 10 40 JGCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)O 409039779 DMBJGOFENARGIK-NVNXTCNLSA-N 458.854 3.177 10 40 JGCB CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(O)c(OC)c3)C(=O)NC2=S)c1 9056446 JUPVHHKYTIKFIB-VGOFMYFVSA-N 477.336 3.393 10 40 JGCB Cc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 10113363 SIIBXCWHWSPXHS-UHFFFAOYSA-N 497.592 3.482 10 40 JGCB CCOC(=O)C1=C(C)Nc2nc(SCC(=O)OC)nn2[C@@H]1c1ccc(N(CC)CC)cc1 14163491 ZNLSTHIVMMFOAH-LJQANCHMSA-N 459.572 3.241 10 40 JGCB CCOc1ccc(-n2c(C)cc(C(=O)CN3CCN(c4ncnc5c4cnn5C)CC3)c2C)cc1 25935196 YKHXGTGRSYHTMF-UHFFFAOYSA-N 473.581 3.174 10 40 JGCB CCCc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5N=C(C)SC5=NC4=O)cc3)nc2s1 41107971 XFZUGHLSGFLWDY-NJOZZACWSA-N 493.574 3.322 10 40 JGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1I 408692845 WRWWFKDVZXUBNJ-UKTHLTGXSA-N 454.264 3.094 10 40 JGCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccccc2)c1 409074923 OJVJFWWMNPTRMO-MOSHPQCFSA-N 493.453 3.029 10 40 JGCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(N3CCSCC3)nc12 8834837 OOAYQVKVWIVIBT-WJDWOHSUSA-N 460.650 3.413 10 40 JGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1Br 408946229 YOWPBXWAIAJNRW-NTEUORMPSA-N 459.252 3.212 10 40 JGCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(=O)OC 409349559 VOIRHAZKBBATIB-MHWRWJLKSA-N 478.573 3.245 10 40 JGCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 23291271 QKFVRSGYNXDHRY-GOSISDBHSA-N 493.651 3.105 10 40 JGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(C(=O)O)cc2)c([N+](=O)[O-])c1 33413381 YQCTUGULFKDEQP-UNOMPAQXSA-N 459.414 3.333 10 40 JGCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1ccccc1C 1439580 UCLLXQJVMPOVFN-UHFFFAOYSA-N 461.337 3.259 10 40 JGCB Cc1cc(C(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c(C)n1-c1ccc2c(c1)OCCO2 9285833 FFDICUPIJYEESD-GOSISDBHSA-N 478.501 3.233 10 40 JGCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC)c(OC)c3)C(O)=NC2=S)cc1 9933316 DHGMHVHSFNSNTI-GZTJUZNOSA-N 454.504 3.481 10 40 JGCB COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(F)cc3)CC2)cc1 22247086 SELWGSISQVITCY-RUZDIDTESA-N 497.592 3.073 10 40 JGCB COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)CC2)cc1 408526693 BUJSQVNVOPEUGN-UHFFFAOYSA-N 499.564 3.363 10 40 JGCB O=C(COc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O)N1CCOCC1 408571530 BOYHUYWUSCMWJK-ZHZULCJRSA-N 454.573 3.326 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c([N+](=O)[O-])cc1OC 408764317 SYWDSVWCIZOFRZ-NTUHNPAUSA-N 490.266 3.349 10 40 JGCB O=C(COc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1Cl)Nc1ccc(Cl)cc1 409227374 ZQURZAFAZIMTLI-UHFFFAOYSA-N 468.680 3.414 10 40 JGCB CCCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 9064477 JKULFFHLXSSHNG-UHFFFAOYSA-N 458.540 3.229 10 40 JGCB Cc1cc(N(CCO)CCO)ccc1/N=N/c1ccc([N+](=O)[O-])cc1S(=O)(=O)C(F)(F)F 9086982 CPSFPTIFZXHAOZ-GHVJWSGMSA-N 476.433 3.403 10 40 JGCB CCC(=O)NCCc1c(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)[nH]c2ccccc12 12861664 GRMAYKPMORYUAO-RGEXLXHISA-N 476.558 3.077 10 40 JGCB biogenic CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)NCCCN2CCOCC2)C1=O 19862670 ZXOGONLHNSWSJF-JEEWHQRCSA-N 459.637 3.063 10 40 JGCB COc1cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)ccc1OCc1ccc(C)cc1 41084534 DZNHAOWTVURXHL-VZKFJVGXSA-N 491.573 3.491 10 40 JGCB COc1cccc(/C=C2/SC(=S)N(CCC(=O)N3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C2=O)c1 100744841 CSFKLDGUXIUJHW-YMLLVQOGSA-N 495.626 3.094 10 40 JGCB biogenic CN(C)c1ccc(N2C(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)SC2=S)cc1 408530493 LIQUUCJQGMLDPX-ZDLGFXPLSA-N 469.548 3.257 10 40 JGCB COCCCN1C(=O)/C(=C/c2c(N3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 2306893 YOCZZTVATYSPCQ-LGMDPLHJSA-N 458.609 3.231 10 40 JGCB Cc1cccc(NC(=O)COc2c(Cl)cc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)c1C 409267325 SXDUVCZYROUUAY-UHFFFAOYSA-N 462.289 3.377 10 40 JGCB COc1ccc(C(=O)Oc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cccc2[N+](=O)[O-])cc1 33598259 FKTQBBYOYUHYFG-RGEXLXHISA-N 459.414 3.284 10 40 JGCB CCOC(=O)[C@@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 34887783 TXPFUQIMOAAFIJ-YDRQLGOLSA-N 489.322 3.250 10 40 JGCB CC(C)[C@H](NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)C(=O)O 1565524199 FPUSHPYGACITLB-UKILVPOCSA-N 474.561 3.404 10 40 JGCB COCCN1C(=O)/C(=C/c2cn(CCOc3ccccc3OC)c3ccccc23)C(=O)NC1=S 6288643 KXDHQVPPSAFXRP-XDJHFCHBSA-N 479.558 3.002 10 40 JGCB O=C1NC(=S)S/C1=C\c1cc(I)cc(I)c1O 13476299 MTXFHQBVVNDUTF-UQCOIBPSSA-N 489.097 3.090 10 40 JGCB COc1ccc(N2CCN([C@@H](c3ccc(OC)cc3OC)c3nnnn3C(C)(C)C)CC2)cc1 13504020 VGKUPBRUVDMORY-QHCPKHFHSA-N 466.586 3.366 10 40 JGCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c(N3CCCC3)nc12 13564411 KQLVQBMUTPXRBL-VKAVYKQESA-N 486.619 3.449 10 40 JGCB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1)S(C)(=O)=O 13648837 IBBYPMOOAUEGOZ-INIZCTEOSA-N 466.003 3.420 10 40 JGCB COC(=O)C[C@@H](c1cccc(O)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96115306 QWCKGUMLCHCHGL-AWEZNQCLSA-N 480.425 3.389 10 40 JGCB biogenic CC(=O)N(C)c1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1 4261866 WSRPJLLCAIEYPG-UHFFFAOYSA-N 465.487 3.017 10 40 JGCB Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3cc(Cl)ccc3O)c(O)c12 263584442 SXMGBPZGVOPRDN-FMQUCBEESA-N 473.872 3.395 10 40 JGCB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 408942753 LCXOFXDRWYKIQD-AFHVAHMMSA-N 498.004 3.136 10 40 JGCB CCc1cccc2c(/C=C3\SC(=S)N(CCOC)C3=O)cn(CC(=O)NC[C@@H]3CCCO3)c12 409141171 IXLXNEFUVUXBGB-HRVJUDJTSA-N 487.647 3.347 10 40 JGCB COc1ccc(N2CCC(O)(CN3CCOC[C@](O)(COc4cc(C)cc(C)c4C)C3)CC2)cc1 585282110 HAYBWEDEIFJXHQ-NDEPHWFRSA-N 484.637 3.094 10 40 JGCB O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 9126836 VTMWIMOCGAQQHO-LJQANCHMSA-N 459.568 3.133 10 40 JGCB CCCCN1C(=O)NC(=O)/C(=C/c2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C1=O 9335025 NNHHKMFAHHOJMF-STZFKDTASA-N 465.506 3.495 10 40 JGCB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)n1-c1ccc(OC(F)(F)F)cc1 12563847 RVHAEDDQZBUPPN-UHFFFAOYSA-N 478.383 3.044 10 40 JGCB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCCC1 13007911 YTCCMRQKYHSDAL-QHCPKHFHSA-N 450.583 3.278 10 40 JGCB O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 18180292 QFJDYCCCXWBNMV-PCCBWWKXSA-N 468.421 3.290 10 40 JGCB biogenic Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)s1 223277843 LEPRTPIUDMJWSC-UHFFFAOYSA-N 457.581 3.178 10 40 JGCB COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)c1C 408851036 UVHVMWKQGDPAPM-WOJGMQOQSA-N 474.425 3.437 10 40 JGCB CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C3CCCC3)C2=O)CC1 8834824 NOZRCQBUHVLWHS-CYVLTUHYSA-N 483.663 3.289 10 40 JGCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\NC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O 409098503 QFLGMIHDQFEOGJ-UNOMPAQXSA-N 464.522 3.144 10 40 JGCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)NCc1ccc2c(c1)OCO2 9058206 VNWPDLJJIGPLOQ-UHFFFAOYSA-N 453.520 3.478 10 40 JGCB COc1ccc(N2CCN(C(=O)COC(=O)/C=C/c3c(C)nn(-c4ccccc4)c3C)CC2)cc1 9666452 ZCMDQQVKFUYEGO-BUHFOSPRSA-N 474.561 3.403 10 40 JGCB COc1ccc(N2CCN([C@H](c3ccc(Cl)cc3)c3nnnn3C[C@H]3CCCO3)CC2)cc1 13504417 KBJVBWWUODRBPM-DHIUTWEWSA-N 468.989 3.426 10 40 JGCB [N-]=[N+]=CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 13544535 JIFSOVRQDDYNAH-ZEQRLZLVSA-N 470.529 3.121 10 40 JGCB CCC1=NN2C(=N)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])cc3)C(=O)N=C2S1 33148375 WJEFXTHXBLQTJR-KFMVTFPESA-N 485.503 3.392 10 40 JGCB COc1ccc(N2CCN([C@H](CNC(=O)c3ccc([N+](=O)[O-])cc3)c3ccco3)CC2)cc1 56946185 JVFVQMOORDRCTM-JOCHJYFZSA-N 450.495 3.490 10 40 JGCB COc1ccc(N2CCN(C(=O)CN3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)cc1 57711468 FXYBGJOJDMKYHQ-UHFFFAOYSA-N 462.516 3.185 10 40 JGCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 409012217 JUMKVOSJWWFFAR-UDWIEESQSA-N 458.536 3.087 10 40 JGCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(I)c3)c2C)C(=O)NC1=S 409393755 ZYPGYMAKVYGBOX-CXUHLZMHSA-N 479.343 3.345 10 40 JGCB CC(=O)NCCc1c(/C=C2/C(=O)N=C(S)N(Cc3ccc(F)cc3)C2=O)[nH]c2ccccc12 1269828 QQZOKHYALMPTDM-UNOMPAQXSA-N 464.522 3.224 10 40 JGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)C2=O)c(OCC)c1 408934722 CVEPFJBUAQDTPT-HIXWQLQUSA-N 468.462 3.002 10 40 JGCB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccc(N2CCOCC2)cc1 10113395 RBCJGRNFUXOOJH-UHFFFAOYSA-N 483.565 3.174 10 40 JGCB Cc1ccc(N(CCCC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1C 13669168 IQTJZDDPSXKFRH-UHFFFAOYSA-N 459.612 3.003 10 40 JGCB N=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 13777643 CVBGNFGSAKNRHX-CXROVBITSA-N 483.937 3.468 10 40 JGCB CCOc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 408664888 PPWIDYGJXCVZTJ-ZLNRFVROSA-N 476.529 3.130 10 40 JGCB COCCNC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccc4ccccc4c3)C2=O)c2ccccc21 13425236 UIQNHGUHGBNHLE-HAHDFKILSA-N 496.523 3.224 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1OC 27530622 UFAJHNCHRWPGMK-LICLKQGHSA-N 458.517 3.242 10 40 JGCB O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccco2)SC(=S)N1CCS(=O)(=O)O 102626055 DZAHBEWEDUYWMN-LFIBNONCSA-N 461.546 3.221 10 40 JGCB CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)C(=O)N(C)C1=S 408904730 NSSJGBDWRXLKQV-UHFFFAOYSA-N 461.902 3.095 10 40 JGCB O=C1/C(=C/c2c(NCCCO)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1 9909352 WBDKMRPRLDOAJP-MNDPQUGUSA-N 480.615 3.323 10 40 JGCB COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 109763460 RFYAUOKCXZORHP-ZHZULCJRSA-N 459.414 3.284 10 40 JGCB CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 245230201 NGTFSTOWJQOHNB-IFOBJOEFSA-N 467.541 3.444 10 40 JGCB Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1C 408665920 QWLSRFNQAXDBEC-VABKMULXSA-N 460.530 3.348 10 40 JGCB COCCN(Cc1c(O)ccc2c(C)c(CC(=O)OC)c(=O)oc12)C[C@@H]1CCCN2CCCC[C@H]12 524730027 RRGTYDJGKFXSCL-WMZHIEFXSA-N 486.609 3.235 10 40 JGCB biogenic COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3C(=O)O)C2=O)cc(OC)c1OC 33145644 KVBVGJYGNKNLLL-YVLHZVERSA-N 488.543 3.251 10 40 JGCB biogenic O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1cccc(C(=O)O)c1 33397253 DQSZNBJJNVDWEG-MOSHPQCFSA-N 459.414 3.333 10 40 JGCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc(F)cc3)N3CCCCC3)ccc21 9138134 CHDMPJLOJOSLCX-XMMPIXPASA-N 452.574 3.168 10 40 JGCB COc1ccc(N2CCN(c3ncc4c(=O)n(Cc5ccccc5OC)ccc4n3)CC2)cc1 39383827 OMSAXRVFUPQIJK-UHFFFAOYSA-N 457.534 3.184 10 40 JGCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(O)c(OCC)c3)C2=O)cc1 408892233 YCVIEOFPCDLBHK-OQLLNIDSSA-N 458.854 3.287 10 40 JGCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(I)c1O 409089581 JDNOVTYFSYSBQH-BNDQCTAISA-N 477.345 3.386 10 40 JGCB COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1OC 409175223 YAKGEZSICYGSNS-XYOKQWHBSA-N 477.336 3.306 10 40 JGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(N2CCOCC2)c(Cl)c1 9357738 AMBBGASHZYWFSU-FOWTUZBSSA-N 461.305 3.409 10 40 JGCB CN1CCCc2cc([C@H](CNS(=O)(=O)c3ccc(Cl)cc3)N3CCOCC3)ccc21 22735493 HLPYDWDSVBCLKU-QFIPXVFZSA-N 450.004 3.074 10 40 JGCB CC(C)OC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 35177649 GUPXDWOWAGVLBL-YBEGLDIGSA-N 459.296 3.241 10 40 JGCB Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1C 41077752 JSVVNTCJOINCHD-RYEIUNSYSA-N 498.586 3.383 10 40 JGCB COc1ccc(N2CCN([C@H](c3ccc(OC)cc3OC)c3nnnn3C(C)(C)C)CC2)cc1 13504021 VGKUPBRUVDMORY-HSZRJFAPSA-N 466.586 3.366 10 40 JGCB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OCC 408774520 WDXZMBBQGPJSTN-XDHOZWIPSA-N 466.490 3.310 10 40 JGCB COc1ccc(N2CCN(C(=O)CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)cc1 408704755 SIUSYKFWRDMZFD-UHFFFAOYSA-N 465.575 3.486 10 40 JGCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\Nc1ccc(N2CCOCC2)c(Br)c1 8816244 WCAFGIBTDOTXNV-SSZFMOIBSA-N 487.379 3.029 10 40 JGCB CC(=O)c1ccc(N2CCN(CC(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)CC2)c(F)c1 12597609 RIFVTTGAPQBNHI-VWLOTQADSA-N 496.627 3.424 10 40 JGCB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCCC1 13007908 YTCCMRQKYHSDAL-HSZRJFAPSA-N 450.583 3.278 10 40 JGCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\c1c(O)[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O 13590389 IPPFVWUFDAIJKG-BOPFTXTBSA-N 450.882 3.308 10 40 JGCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1O[C@@H](C)C(=O)O 409252872 YCLJPTPJRYRHKF-KBVGCWLLSA-N 460.895 3.032 10 40 JGCB CC1CCN(C(=O)CCCN(C)S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 10383379 GEDCHPINQTZDEV-UHFFFAOYSA-N 468.575 3.121 10 40 JGCB CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 12467238 NGTFSTOWJQOHNB-BOCITWAFSA-N 467.541 3.444 10 40 JGCB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)O)c1ccc(N2C(=O)/C(=C/c3ccco3)N=C2c2ccccc2)cc1 36692410 VBXDMHZQIWFGDS-SINAZASISA-N 495.495 3.263 10 40 JGCB CC(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 54360650 QWJWNRYWUGXSAX-ZCWPUFOUSA-N 466.650 3.047 10 40 JGCB COCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccco2)C1=O 12779261 HNEPHWAFKVNEMJ-ATVHPVEESA-N 470.576 3.446 10 40 JGCB O=C1N=C(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)S/C1=C\c1cccs1 943773 HIOLNKHUNNABRT-AQTBWJFISA-N 451.529 3.283 10 40 JGCB C[C@H](Oc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1)C(=O)O 12363090 RFCJEERFGJFOOE-RCEBRVLHSA-N 475.320 3.132 10 40 JGCB Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1C 20205628 JCLMXLMDONVZAN-RYEIUNSYSA-N 498.586 3.383 10 40 JGCB CCc1ccccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408653640 ACWDTOBFXPORHW-XJUOHMSHSA-N 460.530 3.293 10 40 JGCB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)cc1 409214380 STJCZLRLWKNDID-JCMHNJIXSA-N 483.480 3.457 10 40 JGCB COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)NC2=S)c(OC)c1 9323547 CUSIHKWWTQBQNK-BOPFTXTBSA-N 478.482 3.493 10 40 JGCB COc1ccc(N2CCN([C@@H](c3cccc(OC)c3OC)c3nnnn3C(C)(C)C)CC2)cc1 13504079 JLYOUIRBHJHHKA-QFIPXVFZSA-N 466.586 3.366 10 40 JGCB COc1ccccc1NC(=O)[C@H](/N=N\c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)C(C)=O 104124249 MAIDSLDCLFVCHE-KABLAESSSA-N 482.522 3.274 10 40 JGCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(CC(=O)N2CCCCCC2)c2ccccc12 409195609 JLBJLNATNBYXQM-QNGOZBTKSA-N 462.550 3.448 10 40 JGCB O=C1Nc2ccccc2/C1=C1\SC(=S)N(NC(=O)c2ccccc2Br)C1=O 2452177 ITNOGPGJFRPCEM-BUHFOSPRSA-N 460.334 3.318 10 40 JGCB CCN1CCC[C@H]1CNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1616044616 IQKLBBYSBJXNNQ-UZTOHYMASA-N 471.605 3.389 10 40 JGCB Cc1cc(C(=O)COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c(C)n1-c1ccc2c(c1)OCO2 3362376 PNAJYGLONPRSTL-UHFFFAOYSA-N 485.496 3.468 10 40 JGCB CCN1/C(=c2/s/c(=C3\C(=O)N(c4ccccc4)N=C3C)n(CC)c2=O)Sc2ccccc21 100193190 UJOVDWBTCKVDRB-SRPFLQSCSA-N 462.600 3.201 10 40 JGCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 409075300 QNZNCRQMBIYODM-XSFVSMFZSA-N 493.453 3.029 10 40 JGCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 2403431 XIFOOENLWHLDSP-KGENOOAVSA-N 468.579 3.055 10 40 JGCB COc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 21487017 WSYVCAZLQKSAFH-FSSWDIPSSA-N 453.450 3.390 10 40 JGCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)c(OC)c3)C2=O)cc1 408884528 XMCKQAKTOQGBAN-RIYZIHGNSA-N 489.278 3.006 10 40 JGCB Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)c2)cc1 409222738 DWTXSQVEZXFUEQ-HMAPJEAMSA-N 471.469 3.385 10 40 JGCB Cc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c1C 9161327 AILWXIMIXIZXFG-LMEPTBFJSA-N 490.589 3.271 10 40 JGCB COc1ccc(N2CCN(C(=O)Cn3c(=O)cc(-c4nc(C5CC5)no4)c4ccccc43)CC2)cc1 67317945 XLWHJJMHKQKTIZ-UHFFFAOYSA-N 485.544 3.286 10 40 JGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1C(=O)O 10038284 TWIYGWBLOGTKCF-XNTDXEJSSA-N 459.252 3.212 10 40 JGCB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 22248904 JHZNWLFPOSAKOX-UHFFFAOYSA-N 496.029 3.107 10 40 JGCB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 22735535 KWVVUTUMVXKQGC-QHCPKHFHSA-N 473.639 3.046 10 40 JGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(I)cc3)C2=O)cc1 408741958 SZANZBGNCGSBTD-LFIBNONCSA-N 462.243 3.356 10 40 JGCB Cc1cccc(N2C(=O)/C(=C/c3cc(Br)c(N4CCOCC4)o3)C(=O)NC2=S)c1 408859766 YVOPKXYOBGADKW-XNTDXEJSSA-N 476.352 3.018 10 40 JGCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)N4CCc5nc[nH]c5C4)c4ccccc34)[C@@H]21 1565524988 UNFLFKSFPVCSSV-HHHXNRCGSA-N 480.572 3.486 10 40 JGCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCN(C)CC3)C2=O)cc1 20227402 MRNXZQNTTXXXDL-MNDPQUGUSA-N 475.636 3.009 10 40 JGCB CCN(CC)c1ccc(/C=c2/sc3nc(=O)c(Cc4ccccc4Cl)nn3c2=O)cc1 33898978 FKLVPAFPRVSTPX-DEDYPNTBSA-N 452.967 3.149 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3ccc(Br)s3)C(=O)NC2=S)c(OC)c1 59594595 GHLMNTKUBPBESN-DHZHZOJOSA-N 453.339 3.359 10 40 JGCB CC[C@@H](C)N1C(=O)/C(=C/c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 9020102 FCCZKXYOUQTQDB-WIZMWCRPSA-N 468.608 3.393 10 40 JGCB Cc1cc(-c2csc(NC(=O)CCN3C(=O)CCC3=O)n2)c(C)n1-c1ccc2c(c1)OCO2 31517004 NYLSLSXEGWQYBD-UHFFFAOYSA-N 466.519 3.424 10 40 JGCB O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 106336434 UZMSHGBGCHVFDL-RHWWKIFPSA-N 461.908 3.172 10 40 JGCB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1ccc(N2CCCCC2)cc1 223603995 SRPVUIFVOTXVCE-UHFFFAOYSA-N 459.612 3.185 10 40 JGCB CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(C3CCCC3)C2=O)CC1 2337611 PIMIRSJBFHZNCN-RGEXLXHISA-N 483.663 3.289 10 40 JGCB COc1ccc(N2CCN([C@@H](c3ccc(Cl)cc3)c3nnnn3C[C@H]3CCCO3)CC2)cc1 13504416 KBJVBWWUODRBPM-PKTZIBPZSA-N 468.989 3.426 10 40 JGCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 32193831 YJEXYMNKOXLNAW-FYJGNVAPSA-N 489.484 3.000 10 40 JGCB CCOc1cc(N(CC)CC)ccc1/C=C1\C(=O)N(c2ccc(S(N)(=O)=O)cc2)N=C1C 96193292 ZMIAUOSWSGEHKQ-STZFKDTASA-N 456.568 3.385 10 40 JGCB COC(=O)C[C@@H]1c2cccnc2Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 96222363 CWNQBIJFLGGPDN-GFCCVEGCSA-N 463.398 3.478 10 40 JGCB biogenic COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)cc3)C2=O)cc1 409073887 NVRKKIGBCKDYJU-RCCKNPSSSA-N 478.482 3.129 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C 409252529 CDPSCSLSAVRTGI-UHFFFAOYSA-N 487.965 3.287 10 40 JGCB Cn1c(=O)n(C)c2cc(/C=C3/SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)ccc21 409345992 MXMTYFFJDVZFGA-MHWRWJLKSA-N 458.952 3.077 10 40 JGCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1C 409393270 PNSWRIBWKBZFBR-WOJGMQOQSA-N 461.434 3.072 10 40 JGCB O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(Cc1ccccc1O)CC2=O)NC1CC1 514287677 XTUSAADJLZQCBE-FLDWXEHKSA-N 489.616 3.476 10 40 JGCB Cc1ccccc1-n1nnnc1SCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 12606271 SEZJTEOPBIRQFO-NRFANRHFSA-N 466.611 3.337 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 35085162 PRZMFRURJAREQN-UYRXBGFRSA-N 459.414 3.284 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 103977383 KBAAVNZHBLMOHL-KQWOTGNYSA-N 495.626 3.094 10 40 JGCB COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1C 223599560 XUZABEKWQQEZMJ-FCHUYYIVSA-N 450.564 3.241 10 40 JGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC)c(I)c2)C1=O 409235611 CJFZFYBJFSIEII-JLHYYAGUSA-N 492.269 3.365 10 40 JGCB CCN(CC)c1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4Cl)nn3c2=O)cc1 2259708 FKLVPAFPRVSTPX-MOSHPQCFSA-N 452.967 3.149 10 40 JGCB CCCOc1ccc(Cc2nn3c(=O)/c(=C/c4ccc(N(CC)CC)cc4)sc3nc2=O)cc1 2410326 UQGKGJWTXXHRHP-QJOMJCCJSA-N 476.602 3.285 10 40 JGCB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc(NC(=O)[C@@]34CC[C@@](C)(C(=O)C3=O)C4(C)C)c1)C(=O)C2=O 2667735 XBGONSZOTXAIAU-KXSOJQAOSA-N 492.572 3.493 10 40 JGCB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 27025403 VLFBJUPDZRMADL-FNGUVFISSA-N 467.978 3.128 10 40 JGCB CCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1OC 33413567 VXFICDGDHRUBDS-SXGWCWSVSA-N 494.367 3.310 10 40 JGCB COc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC(C)=O)C2=O)c1 408537547 WERLVAYEJWQNTP-SXGWCWSVSA-N 459.252 3.049 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1O 656368 TUWYEIXANPOUDR-UXBLZVDNSA-N 451.273 3.134 10 40 JGCB COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4cccc(Cl)c4)CC3)CC2)cc1 24610568 JSYICZPYLQDXCR-UHFFFAOYSA-N 492.041 3.239 10 40 JGCB COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccccc1C 41077808 JWFKTYNENPTZCD-HRIUQOHOSA-N 484.559 3.204 10 40 JGCB CN1C[C@H](c2ccccn2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12C(=O)Nc1ccccc12 102768776 RNVQQSNUVRKHEQ-UOKFIYJESA-N 476.583 3.351 10 40 JGCB COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(N)=O 409224411 JZHYLEZTNVZAOA-UHFFFAOYSA-N 471.469 3.143 10 40 JGCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(F)cc1 8842998 ZJQBOSSKPNSZID-CPNJWEJPSA-N 468.462 3.063 10 40 JGCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1c[nH]c2ccc(Br)cc12 9323539 YSAGLANGOJTLML-CHHVJCJISA-N 470.304 3.460 10 40 JGCB COc1ccc(-n2c(C)cc(C(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C)cc1 9468381 WMHNXRUUYOHXPD-UHFFFAOYSA-N 484.574 3.385 10 40 JGCB COc1ccc(N(CCC(N)=O)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)cc1 27387172 DTFQSRANVXDHJZ-LJQANCHMSA-N 452.536 3.409 10 40 JGCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 224562769 HHUARDLNPAGASY-QGZVFWFLSA-N 462.572 3.220 10 40 JGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1cc2[nH]c(O)nc2cc1Br 408526734 CGVIQHJORSETPW-YFHOEESVSA-N 476.674 3.263 10 40 JGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3I)C2=O)cc1 408553148 YADWFZIBYDKVSU-RVDMUPIBSA-N 462.243 3.356 10 40 JGCB COc1cccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)c2ccco2)c1O 9260392 QSOBIUMVJLVZON-SFHVURJKSA-N 455.492 3.357 10 40 JGCB COc1ccc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 9668960 ZWVKUSXDVUZRLC-RUZDIDTESA-N 479.602 3.350 10 40 JGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc([N+](=O)[O-])cc1 107854346 LMIAXAROFQIHEH-AQTBWJFISA-N 474.385 3.184 10 40 JGCB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1OC 223121880 NDNLHLKNVJCIHH-IBGZPJMESA-N 489.638 3.438 10 40 JGCB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1OC 260841264 LEYCWZYJTRRVJI-RBUKOAKNSA-N 489.638 3.438 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3nc4ccc(Br)cc4s3)C2=O)cc1 408535690 ZSFRQUCZUCSKED-LCYFTJDESA-N 473.308 3.646 10 40 JGCB CCOc1ccc(C(=O)O)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 408834862 XDFIHEYWMYTERJ-XNTDXEJSSA-N 459.252 3.212 10 40 JGCB NC(=O)COc1ccc(Cl)cc1/C=C1\SC(=S)N([C@@H](Cc2ccccc2)C(=O)O)C1=O 618254942 KKIBKWSGBFPCMR-HAKPAVFJSA-N 476.963 3.101 10 40 JGCB Cc1ccc(COc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1 20205961 BKAJHNPVEYKURH-JMCWYTMQSA-N 454.533 3.195 10 40 JGCB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 70037221 HSOZFJDBINDOKI-PCQKWUTHSA-N 471.623 3.159 10 40 JGCB O=C(C[C@@H](c1c(O)nc2ccccn2c1=O)C1CCCCC1)NCCc1ccc(O)c(O)c1 217595527 IENYYDKGCXTGPD-GOSISDBHSA-N 451.523 3.224 10 40 JGCB biogenic COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OC(C)=O)C(=O)NC2=S)cc1 408754200 FFERLQBBVQHMRR-YBEGLDIGSA-N 475.320 3.214 10 40 JGCB COc1cc([C@@H](CC(=O)NCc2ccc(N(C)C)cc2)c2oc(C)cc(=O)c2O)ccc1O 524731142 LHSAJHPIVRRGBY-LJQANCHMSA-N 452.507 3.272 10 40 JGCB biogenic CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@@H](CN=[N+]=[N-])[C@H](N=[N+]=[N-])[C@@H]1NC(=O)c1ccccc1 39945512 SPFNVFAVFSPQCN-SPNOPHAYSA-N 464.486 3.221 10 40 JGCB O=C(CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc2oc(=O)ccc2c1 54360690 NYGPJYLQDYGBON-LSCVHKIXSA-N 466.496 3.362 10 40 JGCB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 100149928 LHBFCERPQKIWCE-KTZOAPACSA-N 483.347 3.162 10 40 JGCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1NC(=O)c1ccccc1 409213745 VCSMBOIMSOQQSD-QGOAFFKASA-N 462.506 3.459 10 40 JGCB CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](CCSC)C(=O)O)C2=O)cc1OC 8870166 NJEJFNFOJMDJKO-IQGJIOQQSA-N 498.648 3.008 10 40 JGCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)N3CCCCC3)ccc21 9138191 LQUUFWGTMSNVCE-HSZRJFAPSA-N 478.593 3.122 10 40 JGCB Cc1cc(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c(C)n1-c1cccc(F)c1 12609659 ATTZMXUGTNYOKQ-UHFFFAOYSA-N 457.527 3.062 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(F)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 20609323 QOHXTQHPPFPMJW-FBHQFGEZSA-N 465.550 3.003 10 40 JGCB COc1ccc(N2CCN(C(=O)COC(=O)COc3ccc(Cl)cc3Br)CC2)cc1 23474566 GGOCPQWIEDPCTF-UHFFFAOYSA-N 497.773 3.382 10 40 JGCB COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 32116412 ASDPLUXRRNVUHI-UHFFFAOYSA-N 497.592 3.374 10 40 JGCB CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=N)N21 32961252 OUMQIPZUMBDFSZ-FZVWOUGZSA-N 473.492 3.255 10 40 JGCB O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/C=C/c1cccc([N+](=O)[O-])c1 2054852 SSOVBTIMWNZZRO-NKJMRRHMSA-N 461.215 3.217 10 40 JGCB Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 9263370 HWCUGCOSUHLIKG-RGVLZGJSSA-N 459.483 3.261 10 40 JGCB CN1CCN([C@@H](CNC(=O)c2cccc(Br)c2)c2ccc3c(c2)CCN3C)CC1 22733719 BCFVFJKSMSKTTC-QFIPXVFZSA-N 457.416 3.160 10 40 JGCB COC(=O)c1ccc(C(=O)OC)c(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)c1 112295445 JLLPJEGRQBPYIA-UNOMPAQXSA-N 452.423 3.277 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc1ccc(OC)cc1 2149697 JNJFHFUIXNJWKY-UHFFFAOYSA-N 476.938 3.119 10 40 JGCB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c(OC)c1 8799131 OUVWBDAITPMPPB-JOCHJYFZSA-N 459.612 3.202 10 40 JGCB CCCCN1C(=O)NC(=O)/C(=C\c2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C1=O 8913934 NNHHKMFAHHOJMF-KGENOOAVSA-N 465.506 3.495 10 40 JGCB COc1ccc(N2CCN(C(=S)NC(=O)c3cccc(OC(C)C)c3)CC2)c([N+](=O)[O-])c1 9064478 PZORIRXXVIMZAH-UHFFFAOYSA-N 458.540 3.228 10 40 JGCB CS(=O)(=O)N(CCCC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCO2 13669733 MGKGLDIIFYKLPC-UHFFFAOYSA-N 473.595 3.268 10 40 JGCB Cc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1 20206016 FQDWRIORRPLQFF-FBIWUZAXSA-N 498.586 3.464 10 40 JGCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N=C2S1 41083826 IAYDQGZRVOZYHD-JMCWYTMQSA-N 455.565 3.414 10 40 JGCB O=[N+]([O-])c1ccc(/N=N\c2cc(S(=O)(=O)O)c3cccc(S(=O)(=O)O)c3c2O)cc1 104323768 GQTOAWYCHJNRRS-ZCXUNETKSA-N 453.410 3.362 10 40 JGCB COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 408771533 HSMDKYFWNWURBC-ZDLGFXPLSA-N 471.307 3.190 10 40 JGCB CN(C[C@@H](O)c1ccc(O)cc1)C(=O)CCN1C(=O)/C(=C/c2ccccc2F)SC1=S 54360658 SAUAHTCFKHGNJT-GEBKJHSDSA-N 460.552 3.315 10 40 JGCB COC(=O)COc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O 408854444 FXTUKBFVHRUXBX-FMIVXFBMSA-N 465.314 3.377 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc(Br)c1OCC 409228312 XDXNHIUBBDBKMP-RIYZIHGNSA-N 460.284 3.308 10 40 JGCB CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)c1 408884046 WOCKNWLONKHMER-LICLKQGHSA-N 473.279 3.301 10 40 JGCB COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCC(=O)O)C1=O 9158066 HFVAOKNISBDXOG-VBKFSLOCSA-N 483.527 3.171 10 40 JGCB CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)c2ccccc21 409240918 MDPNICDIWYUPSH-QGOAFFKASA-N 461.474 3.270 10 40 JGCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409342663 FZODKJZQVCOWER-RQZCQDPDSA-N 459.505 3.452 10 40 JGCB COc1ccc(N2CCN(C(=O)CN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@H]34)CC2)cc1 524731002 GHSLGRPUYPKKLK-AREMUKBSSA-N 482.540 3.159 10 40 JGCB biogenic COC(=O)[C@@H](NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)C(C)C 1565524930 YIPFWLGDWCIAQE-UKILVPOCSA-N 474.561 3.102 10 40 JGCB Cc1cc(C(=O)COC(=O)c2cccc(S(N)(=O)=O)c2)c(C)n1-c1ccc(OC(F)F)cc1 9285861 ZWRFMAOZYDYLBG-UHFFFAOYSA-N 478.473 3.383 10 40 JGCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 20288316 SFODUFHTWAZLBX-JWGURIENSA-N 462.531 3.480 10 40 JGCB COC(=O)Cc1c(C)c2ccc(O)c(CN3CCN(c4ccc(Cl)cc4)CC3)c2oc1=O 95477153 IQUXWFDLSOWDGW-UHFFFAOYSA-N 456.926 3.498 10 40 JGCB CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 225556965 UMOINVBPZDOGIV-HXUWFJFHSA-N 492.598 3.311 10 40 JGCB COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O 239339224 LWIKTGSKAFPMNH-BDTNDASRSA-N 453.450 3.390 10 40 JGCB CCOC(=O)N1CCN(C(=O)CCCN2C(=O)/C(=C\c3ccc(OCC)cc3)SC2=S)CC1 12032400 NTGCWASWLLVSIP-KNTRCKAVSA-N 491.635 3.367 10 40 JGCB COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100779009 WSYVCAZLQKSAFH-FKBYEOEOSA-N 453.450 3.390 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCC(=O)OC 408914473 XZSUSVCPIKGZTB-VIZOYTHASA-N 476.844 3.096 10 40 JGCB COc1ccc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 409388869 FSEPIBFORBFDGV-CQSZACIVSA-N 472.394 3.018 10 40 JGCB O=C1N=C(N2CCN(C3=NC(=O)/C(=C/c4cccc(O)c4)S3)CC2)S/C1=C\c1cccc(O)c1 2071289 ZBURBIJDFRCTQV-AXPXABNXSA-N 492.582 3.356 10 40 JGCB COc1ccc(N2CCN([C@H](c3ccc(OC)c(OC)c3)c3nnnn3C(C)(C)C)CC2)cc1 13504037 FYVDLLSRYFCWFK-HSZRJFAPSA-N 466.586 3.366 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 13590076 DMTPQCHEVNWDRM-CPNJWEJPSA-N 494.598 3.333 10 40 JGCB CSc1nnc2c(n1)O[C@H](c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)N(C(C)=O)c1ccccc1-2 15015682 HMUDIQIGVWRGBS-GOSISDBHSA-N 470.423 3.227 10 40 JGCB O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccccc1F 35084930 QNHLDWMRMMOERP-ATVHPVEESA-N 476.420 3.213 10 40 JGCB Cc1ccccc1COc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1 41077792 PRWHRFLVPVZDHG-JMCWYTMQSA-N 454.533 3.195 10 40 JGCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 408850950 GYOIAALPZUNPPN-NTEUORMPSA-N 496.770 3.363 10 40 JGCB COc1ccc(N2CCN(C(=O)CNc3cccc(S(=O)(=O)N4CCCCCC4)c3)CC2)cc1 12549143 DFYDSRCXICUMKR-UHFFFAOYSA-N 486.638 3.021 10 40 JGCB Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 12635292 GDKVUMAXLINVBS-UHFFFAOYSA-N 480.590 3.247 10 40 JGCB O=C(O)CN1C(=O)/C(=C\c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC1=S 26840879 MSQIGQSLTQCGIH-NTEUORMPSA-N 473.919 3.426 10 40 JGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1ccc2c(c1)OCO2 33720801 BBYNQZUTJWBLEG-PDGQHHTCSA-N 459.414 3.364 10 40 JGCB COC(=O)[C@]1(CCSC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 245230501 SXKUDXNGNIIOFW-UPUUWEMXSA-N 485.581 3.007 10 40 JGCB CC(C)COc1c(Br)cc(Br)cc1C=C1C(=O)NC(=S)NC1=O 409041534 JXUGUBIOROELHD-UHFFFAOYSA-N 462.163 3.161 10 40 JGCB COCCNC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21 409137093 TXOHZZGDAOIUGD-ODLFYWEKSA-N 455.561 3.398 10 40 JGCB O=C(O)c1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/C=C/c4ccccc4)SC3=S)C2=O)cc1 9494457 WEEACUNPOHWAFM-UAYXSDCWSA-N 464.524 3.474 10 40 JGCB COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 16694899 SFPAANQKBZDLSG-WFSQQTBHSA-N 492.487 3.383 10 40 JGCB CN(C)c1ccc(/C=C2/N=C(SCC(=O)NC(N)=O)N(c3ccc(OC(F)F)cc3)C2=O)cc1 96113603 AFCVIKMFCRBEPC-GZTJUZNOSA-N 489.504 3.026 10 40 JGCB CCOc1c(Br)cc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc1OC 96930767 ZNINZIVFCSOKDZ-FOWTUZBSSA-N 487.441 3.390 10 40 JGCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccccc1OCc1ccc(C(=O)O)cc1 408956097 WALPZVSWTXCPJP-YBFXNURJSA-N 486.436 3.359 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1cccs1 409062540 WMBXJUNQNDZYCI-GFCAVMEOSA-N 479.627 3.460 10 40 JGCB COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NCCN2CCOCC2)cc1 19943959 DHWHSTWBXDTXJT-XLNRJJMWSA-N 477.590 3.252 10 40 JGCB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 21887105 HTXCXJNTGBGOEE-QHCPKHFHSA-N 471.001 3.159 10 40 JGCB CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1ccc(SC)cc1 67287013 FBRMKNCLXLJCEK-DEOSSOPVSA-N 496.633 3.410 10 40 JGCB CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2ncccn2)cc1 101305342 HRJNALBHZAXUKU-IRCXXISZSA-N 497.924 3.442 10 40 JGCB Cc1nn(-c2cc(S(=O)(=O)O)ccc2Cl)c(O)c1/N=N\c1ccc(S(=O)(=O)O)cc1 104265330 MDKRPZMPLVUDHH-HNENSFHCSA-N 472.888 3.449 10 40 JGCB COCCN1C(=O)/C(=C/c2ccc(OC)c(Br)c2)C(=O)N(c2ccccc2)C1=O 409015995 TXWHXNNDFNMIHD-VBKFSLOCSA-N 459.296 3.483 10 40 JGCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)cc1OCC 409213618 UPVGAYJNLSTZTR-OQLLNIDSSA-N 485.449 3.163 10 40 JGCB O=C(COc1ccc(Br)cc1C=C1C(=O)NC(=S)NC1=O)Nc1ccccc1Cl 409262779 HCDDCLUPNGZVJY-UHFFFAOYSA-N 494.754 3.034 10 40 JGCB COc1ccc(N2CCN([C@@H](c3ccccc3)c3nnnn3Cc3ccc4c(c3)OCO4)CC2)cc1 13505183 YBJCXMDHTZUGJN-SANMLTNESA-N 484.560 3.370 10 40 JGCB CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccc(Cl)cc3)N3CCCCC3)ccc21 23858000 OBUAYVKJQSCBJT-QHCPKHFHSA-N 455.002 3.292 10 40 JGCB CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1cccc(Cl)c1 67205136 FDIYEOKCYUJQJJ-HSZRJFAPSA-N 484.984 3.342 10 40 JGCB CN(C)c1ccc(CN(C(=O)COc2ccc(Br)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 4313066 XAQIUCRPNBNEKR-LJQANCHMSA-N 481.412 3.110 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)c2C)cc1 9767524 SXELERDFLHSWPT-IBGZPJMESA-N 478.501 3.248 10 40 JGCB COc1ccc(N2CCN(Cc3coc(O)c(CN4CCc5ccccc5C4)c3=O)CC2)cc1 101374184 GEWFHTRHKLCFSJ-UHFFFAOYSA-N 461.562 3.235 10 40 JGCB O=C1[C@H]2[C@H](C(=O)N1c1ccc3c(c1)OCO3)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O 169366940 RXBBADNPSHEPGM-BDTNDASRSA-N 467.433 3.110 10 40 JGCB Cc1ccnc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c2C)c1 409190606 SRIBLXKMKBPKLX-XDHOZWIPSA-N 460.515 3.327 10 40 JGCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)c([N+](=O)[O-])c1 409393575 QSSYKOMZJMIHNE-WOJGMQOQSA-N 461.434 3.072 10 40 JGCB CCCC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cc(Cl)c(OCC(N)=O)c(OC)c1 13913992 RSKIRGHJEPCZFJ-CXUHLZMHSA-N 471.897 3.497 10 40 JGCB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCC(=O)Nc2ccccc2F)c1 108221000 AUUJXULDHPBRSK-ZHZULCJRSA-N 474.492 3.371 10 40 JGCB COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)N1CCOCC1 409210552 LIUWJSOZTDPUDD-UDWIEESQSA-N 488.562 3.478 10 40 JGCB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 604406380 UFGUNZBSEDEHHP-MOPGFXCFSA-N 491.547 3.411 10 40 JGCB biogenic C[C@@H](O)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 16735897 PBGAKEHUJDKJLI-OMJMQIJPSA-N 470.551 3.028 10 40 JGCB CC[C@@]1(C(=O)O)N[C@@H](c2ccc(OC)cc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]21 19848986 CPIOMSQHTINNCB-IMIIHFCZSA-N 460.486 3.238 10 40 JGCB Cc1oc2c(CN3CCN(CCO)CC3)c(O)ccc2c(=O)c1-c1ccc(Br)cc1 20436958 MEITZZGMFOAXBO-UHFFFAOYSA-N 473.367 3.346 10 40 JGCB biogenic CCc1nnc(NC(=O)CCN2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)s1 2355655 GRGHLUXCXYPPJM-UVTDQMKNSA-N 494.620 3.356 10 40 JGCB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)c1 12608642 JEENRNSWMXESMJ-UHFFFAOYSA-N 455.580 3.478 10 40 JGCB CN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(I)c2)C(=O)NC1=S 408912418 FYWJWPBHSNTGDW-RIYZIHGNSA-N 496.301 3.266 10 40 JGCB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c(OC)c1 8801634 DKKZQIFBAAHNKC-JOCHJYFZSA-N 459.612 3.202 10 40 JGCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(OC)c3OC)C2=O)c1 9891796 XLIGMGXTFXHRMF-VBKFSLOCSA-N 470.478 3.176 10 40 JGCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)SC1=S 9434167 CSOHAXDLWXFPFP-UYUDSAJGSA-N 456.885 3.237 10 40 JGCB CCOCCCN1C(=O)/C(=C/c2c(N3CCCC3)nc3c(C)cccn3c2=O)SC1=S 16737443 LUMVWZCTQOSSRX-VKAVYKQESA-N 458.609 3.231 10 40 JGCB COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3cc(F)ccc3F)c3ccco3)CC2)cc1 16953891 RTTALBQNGVAIED-NRFANRHFSA-N 477.533 3.408 10 40 JGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 23936886 NXFHTCWIFFHTRQ-NDEPHWFRSA-N 486.572 3.102 10 40 JGCB COc1ccc(N2CCN(C(=O)Cn3nc(-c4ccc(Br)cc4)ccc3=O)CC2)cc1 67695083 YCZYAJSTDQOTCA-UHFFFAOYSA-N 483.366 3.030 10 40 JGCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 97990691 LFTNOEYGIHEEAQ-LICLKQGHSA-N 479.557 3.057 10 40 JGCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCOCC3)cc2)C1=O 409093872 BFWRHXDJGROZLQ-QGOAFFKASA-N 470.323 3.261 10 40 JGCB COc1cc(N2CCCC2)c(OC)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2F)C1=O 9263222 UKNOJMVMGLXJQA-PTNGSMBKSA-N 455.511 3.274 10 40 JGCB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 21085242 AKHRBPHXCVBCOX-UHFFFAOYSA-N 452.422 3.099 10 40 JGCB COc1ccc(N2CCN(Cc3c(O)c(C(=O)N4CCOCC4)cc4ccccc34)CC2)cc1 23936587 OFBDCKSOZRRIBT-UHFFFAOYSA-N 461.562 3.349 10 40 JGCB COc1ccc(N2CCN(C(=O)CSc3nc4cc(C)[nH]c4c(=O)n3Cc3ccco3)CC2)cc1 67236508 FHMQSUOXYKEKGD-UHFFFAOYSA-N 493.589 3.124 10 40 JGCB CC1=C2[C@H](CCS2(=O)=O)[C@]2([S@@](=O)Cc3ccccc3)C(=O)c3ccccc3C(=O)[C@H]2C1 239425954 VNNLTWNZHDGZPB-NHWDZWINSA-N 454.569 3.482 10 40 JGCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 408791224 XJXDIHMCDGEACW-PLDFPGSMSA-N 494.519 3.377 10 40 JGCB CN(C)c1ccc(CN(C(=O)c2ccccc2Br)[C@H]2CCS(=O)(=O)C2)cc1 9161426 OKODCLYWDMKWHJ-KRWDZBQOSA-N 451.386 3.345 10 40 JGCB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 22735532 KWVVUTUMVXKQGC-HSZRJFAPSA-N 473.639 3.046 10 40 JGCB O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccccc1 409041580 KBDBCEXPQHGKHU-XSFVSMFZSA-N 457.442 3.076 10 40 JGCB COc1c(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(CCN(C)C(C)=O)cc2c1OCO2 9045897 KFYVRZSXGXXGAH-WOJGMQOQSA-N 483.452 3.091 10 40 JGCB biogenic Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(N2CCOCC2)cc1 223564390 HKQPWPKZXJNEPL-LOSJGSFVSA-N 477.634 3.291 10 40 JGCB CN(Cc1ccccc1)C(=O)COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 3339129 JUTYXHWEWRCTBT-UHFFFAOYSA-N 460.533 3.070 10 40 JGCB O=C(O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl 59678985 BRRKLBQERHVGKN-NTUHNPAUSA-N 451.287 3.288 10 40 JGCB O=C1c2ccccc2C(=O)c2c1c(C(=O)N1CCN(Cc3ccccn3)CC1)c1ccccn21 95475960 AVTRZDBZLATHJX-UHFFFAOYSA-N 450.498 3.068 10 40 JGCB CCOc1ccccc1NC(=O)CC(=O)N1N=C(C)[C@@H](/N=N/c2ccccc2C(=O)O)C1=O 104219158 KQVVSDSWLSPFGY-NZXNHFJFSA-N 451.439 3.009 10 40 JGCB CCOC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 1215069 CLNPZYRUTULEDM-BOPFTXTBSA-N 487.306 3.366 10 40 JGCB CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\N1C(=O)/C(=C\c2cccc(O)c2)SC1=S 104303707 AVOVUJKJWVMOFW-OISIGJEPSA-N 479.539 3.443 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccc(C)cc1 408808599 JPFGNHHYJZEKKG-UHFFFAOYSA-N 459.296 3.485 10 40 JGCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(N4CCOCC4)o3)C2=O)cc1 408858500 PLZLCVUCCVYHMF-LFIBNONCSA-N 474.311 3.108 10 40 JGCB CN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c2cc(Br)ccc21 1002918 CAVPSQOCYPQTBL-PFONDFGASA-N 474.361 3.342 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O[C@@H](C)C(=O)O 2891792 NCUORUYWMBAJAU-LZNAANCOSA-N 468.531 3.385 10 40 JGCB COc1ccc([N+](=O)[O-])cc1N/C=C1/C(=O)N(CCc2ccccc2)C(=O)N(C(C)C)C1=O 8431399 FTDVCOQSRIBPPQ-JXAWBTAJSA-N 452.467 3.341 10 40 JGCB CN1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 9311406 IGYOXBSKJDFQLM-RIYZIHGNSA-N 460.240 3.028 10 40 JGCB Cc1c/c(=N\C(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c2ccccc2[nH]1 13008058 IFXUVGZCLSIBAO-SANMLTNESA-N 471.605 3.239 10 40 JGCB O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 16045950 GLWJXIKSHGKUBW-UHFFFAOYSA-N 489.775 3.043 10 40 JGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1ccc(C(=O)O)cc1 108063563 LYVCVJMVKBRVGJ-MOSHPQCFSA-N 459.414 3.333 10 40 JGCB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1OC 260811073 NDNLHLKNVJCIHH-LJQANCHMSA-N 489.638 3.438 10 40 JGCB COc1ccccc1/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O 4366352 NOUFHLBWVZSVLG-FMQUCBEESA-N 453.454 3.045 10 40 JGCB O=C1[C@H]2[C@@H](c3ccccc3O)N[C@@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C(=O)N1c1ccccc1 9187268 WQBAYKGKHMVHQK-GFXAMXPBSA-N 481.508 3.390 10 40 JGCB CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)NC1=S 409392301 OVJJCJQXTAGZCB-WQLSENKSSA-N 450.270 3.264 10 40 JGCB COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)C2=O)cc1Cl 20191119 ZMOKFPVCEOVQIO-QPEQYQDCSA-N 460.826 3.327 10 40 JGCB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cccc(Cl)c1 408671278 YYYDOFRUUQCGJE-QHAWAJNXSA-N 466.921 3.384 10 40 JGCB COc1ccc(N2CCN(C(=O)CN(c3cc(Cl)cc(Cl)c3)S(C)(=O)=O)CC2)cc1 980242 LKRIHZWHPYFTSJ-UHFFFAOYSA-N 472.394 3.117 10 40 JGCB COc1ccc(N2CCN(C(=O)CNc3ccc(S(=O)(=O)N4CCCCCC4)cc3)CC2)cc1 12542520 KJQMEGRPHWSWEF-UHFFFAOYSA-N 486.638 3.021 10 40 JGCB CCCN(CC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCCOC)C1=O 13424038 HUMOUKHZXQLWCU-VKAVYKQESA-N 460.625 3.477 10 40 JGCB COc1cccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 18219349 VMKMGFPFYITLHQ-FKBYEOEOSA-N 453.450 3.390 10 40 JGCB biogenic CCOc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc(I)c1O 38170986 FGXJGBRJTRXRTN-WUXMJOGZSA-N 482.230 3.491 10 40 JGCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1)Nc1ccccc1 408952341 NJWFJFHBLDOAOH-UDWIEESQSA-N 485.452 3.099 10 40 JGCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)Cn3ncc(Cl)c(Cl)c3=O)c2C)c1 10211856 KRDFGPVSWJOBJC-UHFFFAOYSA-N 492.315 3.414 10 40 JGCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O 408760425 YMCXEZZCZQBUSB-PCJMVEANSA-N 481.306 3.306 10 40 JGCB COc1ccc(/C=C2/C(=O)NC(=O)N(C(C)(C)C)C2=O)cc1COc1ccc(NC(C)=O)cc1 2286306 HEPXOMCAVRBEGE-MOSHPQCFSA-N 465.506 3.493 10 40 JGCB COc1ccc(N2CCN([C@H](CC(C)C)c3nnnn3Cc3ccc4c(c3)OCO4)CC2)cc1 13505164 CGXAJRSVJHAPMG-JOCHJYFZSA-N 464.570 3.368 10 40 JGCB COc1ccccc1N1C(=O)C(=CNCCCn2ccnc2)C(=O)N(c2ccccc2OC)C1=S 20023546 DUHCONHTNYIHKV-UHFFFAOYSA-N 491.573 3.129 10 40 JGCB C[C@H](Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1)C(=O)O 3771658 XTAQVVSCZZOVMV-YAFRSCOQSA-N 475.320 3.132 10 40 JGCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1O 9891823 KZRXVAIUAWTPDJ-AUWJEWJLSA-N 492.269 3.289 10 40 JGCB CCn1cnc2c(Nc3ccc(C(N)=O)cc3)nc(N3CCN(c4ccc(OC)cc4)CC3)nc21 28629330 FSLRZOXXHSHHID-UHFFFAOYSA-N 472.553 3.024 10 40 JGCB O=C(Cc1cnn(-c2ccccc2)c1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 95927136 RAGJROXOOBBVCV-NHDPSOOVSA-N 492.582 3.161 10 40 JGCB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2c(O)ccc3ccccc23)CC1 13120674 LUHGHAGUDFMCSA-UHFFFAOYSA-N 454.548 3.213 10 40 JGCB CC[C@]1(C(=O)O)N[C@@H](c2ccc(OC)cc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]21 19848987 CPIOMSQHTINNCB-MSZDEVHKSA-N 460.486 3.238 10 40 JGCB COc1ccc(N2CCN(C(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc34)CC2)cc1 34856931 SLLPCAZFAJTYNA-UHFFFAOYSA-N 454.530 3.416 10 40 JGCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(N2CCOCC2)cc1 223564336 HKQPWPKZXJNEPL-RPBOFIJWSA-N 477.634 3.291 10 40 JGCB O=C(O)COc1ccc(Br)cc1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 409086774 BCVWNODUIZNAHZ-AISSWFOISA-N 458.355 3.293 10 40 JGCB CCN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3C)cc2)C(=O)N(CC)C1=S 682023 WOHYNDLEQLTKSL-UHFFFAOYSA-N 451.548 3.391 10 40 JGCB COC(=O)[C@@]1(CCSC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 20150600 SXKUDXNGNIIOFW-QDMVCWPOSA-N 485.581 3.007 10 40 JGCB Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 103596416 MUNSPCPBRXFFFY-ZKZDLDBDSA-N 494.552 3.101 10 40 JGCB Cn1nc(CC(=O)NN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)c2ccccc2c1=O 9850015 JNILRTPPJKTNQU-LICLKQGHSA-N 470.963 3.062 10 40 JGCB COc1cc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)c([N+](=O)[O-])cc1OC 10382344 XQBQLQVNGSGNTJ-DEDYPNTBSA-N 454.508 3.405 10 40 JGCB N=C1/C(=C/c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 41084509 SXDILZFHVDLRIH-PCHQCWAOSA-N 492.517 3.083 10 40 JGCB COc1ccc(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1OC 95927149 YIVWTYKVMBXWQT-GRSHGNNSSA-N 472.544 3.064 10 40 JGCB O=C(Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21)NC[C@H]1CCCO1 409130898 XBOYGVGQTBFPCP-AEPGKGRUSA-N 485.631 3.317 10 40 JGCB COc1ccccc1N1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 409338714 OWDBEEWSSMOPDN-XSFVSMFZSA-N 470.572 3.339 10 40 JGCB COc1cc([C@H](CC(=O)NCc2ccc(N(C)C)cc2)c2oc(C)cc(=O)c2O)ccc1O 524731141 LHSAJHPIVRRGBY-IBGZPJMESA-N 452.507 3.272 10 40 JGCB biogenic COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3nnc(C)s3)C2=O)cc(OC)c1OC 1798877 QSTDSPJXSJERDC-ZROIWOOFSA-N 480.593 3.102 10 40 JGCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C3=O)o2)cc1[N+](=O)[O-] 12414293 VGHNWSDUVHFRBQ-XKBFBRDOSA-N 462.461 3.292 10 40 JGCB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 225258242 VTYRGWHNLXUACG-BWAHOGKJSA-N 474.561 3.127 10 40 JGCB COc1ccc(N2CCN(CC(=O)NC(c3ccccc3)c3ccccc3)[C@H](C(=O)N(C)C)C2)cc1 257314215 UVVNHJTVEFVMBV-SANMLTNESA-N 486.616 3.180 10 40 JGCB COCCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C(C(=O)OC)=C1C 2076068 UMZWQSBSWXSTNN-STZFKDTASA-N 468.481 3.162 10 40 JGCB CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 20214035 DNOOSMPQSPCIRZ-QHCPKHFHSA-N 484.984 3.342 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)c(OC)c1 409074708 UXIVFTJOAVMDCE-LFIBNONCSA-N 455.511 3.274 10 40 JGCB COCCCN1C(=O)/C(=C/c2c(NCc3ccco3)nc3ccc(C)cn3c2=O)SC1=S 8872582 OIRRHIGCUFNCCD-BOPFTXTBSA-N 470.576 3.446 10 40 JGCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cccn3-c3ccc(Cl)c(Cl)c3)C(=N)N21 20211401 CCGRKXBDIGNBJO-ABVCEMAWSA-N 468.347 3.405 10 40 JGCB Cc1cc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(N)c3c2O)ccc1O 25694078 CZHGAMWGHXFLPX-FMQUCBEESA-N 453.454 3.050 10 40 JGCB COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCN(c2ccc(OC)cc2)[C@H](C)C1 61927025 IAFWNPOXSUDNPD-MRXNPFEDSA-N 466.538 3.121 10 40 JGCB CCN(CC)c1ccc(/C=c2/s/c(=C/C(=O)C(C)(C)C)n(CC(=O)NC3CCCCC3)c2=O)cc1 102959200 IWUHTDJTQMTSLW-KWCUAYMTSA-N 497.705 3.429 10 40 JGCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)cc1 223164054 XVKJPAYPNKISNK-LOSJGSFVSA-N 477.634 3.494 10 40 JGCB CCC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O 408529855 DHZKZTSJWBYGSX-GYZPRXLTSA-N 461.312 3.415 10 40 JGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 9322966 FIOPIOVVEVCPPG-UHFFFAOYSA-N 471.623 3.360 10 40 JGCB COc1cc(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c(C)cc1[N+](=O)[O-] 9545306 NLWAAHMRYFYJQH-UHFFFAOYSA-N 474.425 3.483 10 40 JGCB COc1ccc(N2CCN([C@@H](c3cc(OC)ccc3OC)c3nnnn3C(C)(C)C)CC2)cc1 13504093 ZVWRCZJJTUYHHO-QHCPKHFHSA-N 466.586 3.366 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)N3CCOCC3)SC2=S)cc1 408574285 LMUIPPIQJBPBRG-ZHZULCJRSA-N 470.572 3.339 10 40 JGCB COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Cl)c(Cl)c3)S(C)(=O)=O)CC2)cc1 408617468 BGLOZVCVDLRJSR-UHFFFAOYSA-N 486.421 3.112 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccccc1 409057202 JDRZLDTURQHMDF-CAZPATRMSA-N 473.598 3.399 10 40 JGCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)cc1OC 1802036 GTFSDZKSDOOPNJ-ZDLGFXPLSA-N 488.543 3.338 10 40 JGCB CCN(CC)C(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 409143219 WBEIAAQVRJJLHL-KGENOOAVSA-N 458.518 3.172 10 40 JGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(OC)c(O)cc2Br)C1=O 409244742 IBXKHOSTMLJLFA-XYOKQWHBSA-N 461.268 3.228 10 40 JGCB COc1ccc(N2CCN(CCCn3c(=S)[nH]c4ccc(N5CCOCC5)cc4c3=O)CC2)cc1 20644526 CJZLSQXZCNRHMU-UHFFFAOYSA-N 495.649 3.117 10 40 JGCB CN1C[C@H](c2ccccn2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12C(=O)Nc1ccc(F)cc12 103020024 XEDGYKMVHBXKDM-UOKFIYJESA-N 494.573 3.490 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(O)c3)c(=O)n2[C@H]1c1cccc2ccccc12 409038586 ABSBTXCJIMRULB-XPCGLTFESA-N 486.549 3.363 10 40 JGCB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O 409163742 XEIUKIZTNVSZTC-MOSHPQCFSA-N 482.518 3.415 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)CNC(=O)c3ccc(C)cc3)c2C)cc1 3287245 OZJOYJQDGCHVCM-UHFFFAOYSA-N 462.502 3.345 10 40 JGCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)cc1 8663759 YROHFXSBWZKXHE-KGENOOAVSA-N 488.500 3.015 10 40 JGCB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1OC 8801560 KJIHZCRVWCEARQ-JOCHJYFZSA-N 459.612 3.202 10 40 JGCB Cc1ccc(-n2c(C)nnc2SCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 9804210 KPLKCAPGXJWYTL-UHFFFAOYSA-N 451.596 3.471 10 40 JGCB CC(=O)N(C(=O)CC(=O)N1N=C(C)[C@@H](/N=N\c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Cl)cc1 104306192 BWYKHKMSRWKBEB-LRVSTDGRSA-N 484.856 3.415 10 40 JGCB O=C1/C(=C/c2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 1295062 HCJSFCOSLFZCEM-SSZFMOIBSA-N 458.634 3.392 10 40 JGCB Cc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)C2=O)cc1 8870081 ZFPNSYCXIJVHSD-DKLCPLSMSA-N 479.583 3.490 10 40 JGCB CCOc1ccccc1N1CCN(C(=O)C2CCN(Cc3cccc(OC)c3O)CC2)CC1 9849638 QNOSBOBEKYUHCS-UHFFFAOYSA-N 453.583 3.360 10 40 JGCB COCCCN1C(=O)/C(=C/c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 26531844 OUGQPSJGAFKNAQ-JFNRVDGVSA-N 472.636 3.415 10 40 JGCB CN(C)CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 8820057 QIKKTMQRKFZHIA-AQTBWJFISA-N 450.582 3.282 10 40 JGCB Cc1cc(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c(C)n1-c1ccc2c(c1)CCC2 9223639 PAMAWNAFHKOPCL-UHFFFAOYSA-N 479.602 3.412 10 40 JGCB COc1ccc(-c2nn(Cc3ccccc3)cc2C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC 12794638 NZGDWNOYQUCHNU-UHFFFAOYSA-N 460.490 3.049 10 40 JGCB CN(C)c1ccc(CN(C(=O)C2=C(c3ccccc3)SCCO2)[C@H]2CCS(=O)(=O)C2)cc1 20745923 IDJJTYDDAUBUQS-NRFANRHFSA-N 472.632 3.401 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(F)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 28627791 QOHXTQHPPFPMJW-FGGAIWKESA-N 465.550 3.003 10 40 JGCB COc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)c4ccc5c(c4)OCO5)n3)CC2)cc1 9573739 KNRJUOSOSMLVGA-UHFFFAOYSA-N 480.546 3.024 10 40 JGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(O)c(I)c1 15012449 PUQVTTKWGNPMPE-GHXNOFRVSA-N 468.634 3.317 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C/NCCC3CCN(Cc4ccccc4)CC3)C2=O)cc1 20623444 CDJAOSRCDONTPK-QJOMJCCJSA-N 462.550 3.054 10 40 JGCB COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(C)cc3)c3ccco3)CC2)cc1 17050930 HAWRYGJDZREXDX-HSZRJFAPSA-N 455.580 3.438 10 40 JGCB CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)OC3(CCCC3)OC2=O)C1 59489890 WIUBUBDDAHMCQW-QGZVFWFLSA-N 485.537 3.433 10 40 JGCB COc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 102667060 LWIKTGSKAFPMNH-YPAWHYETSA-N 453.450 3.390 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1 108257761 IXKSRTWIJNFNAG-UNOMPAQXSA-N 488.456 3.082 10 40 JGCB COc1ccc(N2CCN(C(=O)Cn3ccc(=O)c4ccc(Br)cc43)CC2)cc1 225741587 UJNBCADXHGFMDS-UHFFFAOYSA-N 456.340 3.121 10 40 JGCB COC(=O)c1ccc(Cn2cc(/C=C3/SC(=S)N(CC(=O)O)C3=O)c3ccccc32)o1 409393161 PIAUNNJRGKYMCU-CAOOACKPSA-N 456.501 3.355 10 40 JGCB O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9670896 AMLHHYZPQJFEPQ-UHFFFAOYSA-N 475.844 3.081 10 40 JGCB CN(c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1)S(=O)(=O)c1ccccc1 10113369 JSFIPANKHOJPLK-UHFFFAOYSA-N 465.575 3.278 10 40 JGCB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cccc(Cl)c1 408671271 YYYDOFRUUQCGJE-ACRUOGEOSA-N 466.921 3.384 10 40 JGCB O=C(O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Cl 408915464 VQRCFRCYIXZLDC-UUILKARUSA-N 453.209 3.262 10 40 JGCB COc1ccccc1N1C(=O)/C(=C\c2ccc(N(C)C)c(Br)c2)C(=O)NC1=S 409175563 ZQPUJVUSQUXCFX-RAXLEYEMSA-N 460.353 3.355 10 40 JGCB CCOc1ccc(N2C(=O)/C(=C\c3[nH]c4ccccc4c3CCNC(C)=O)C(=O)N=C2S)cc1 4464580 JEPXMSDATGHGAM-ZHZULCJRSA-N 476.558 3.488 10 40 JGCB COc1ccc(OC)c(S(=O)(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)c1 24101579 KVKUOSMBMXESBJ-OAHLLOKOSA-N 480.608 3.354 10 40 JGCB CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@H]1/N=N\c1ccc(NS(=O)(=O)c2nccs2)cc1 104090499 DYUCYIHLTBLINY-TZFALNRWSA-N 498.546 3.362 10 40 JGCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(OC)c1O 408894310 PSOKFBLVUWBIME-JXAWBTAJSA-N 453.491 3.333 10 40 JGCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 409350893 SRHZUDNUTRGUAG-GZTJUZNOSA-N 460.533 3.267 10 40 JGCB O=C(COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccccc1F 409375427 KOXQCHVAXBJYAP-AQTBWJFISA-N 475.432 3.215 10 40 JGCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4cc(Cl)ccc4OC)C(=O)[C@@H]3[C@@H](C(C)=O)N21 8991490 BTGSXHANEPLYNO-HLRQEUIKSA-N 452.894 3.336 10 40 JGCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3OC)C2=O)c(Br)cc1O 9323204 VCCCMHZJUVRPQR-XFFZJAGNSA-N 463.309 3.003 10 40 JGCB O=C(O)Cn1cc(/C=C2/C(=O)N=C(O)N(c3cccc(Br)c3)C2=O)c2ccccc21 17249007 SJTVLGXPTNFDDF-PXNMLYILSA-N 468.263 3.359 10 40 JGCB Cc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)cc2)c1 41084563 TVOWPAASSHCSJK-DULIVUPNSA-N 475.530 3.123 10 40 JGCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccccc2)cc1 408877983 ZLTVKFHSZXDEGS-KQWNVCNZSA-N 478.545 3.091 10 40 JGCB CCOc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c1OCC(=O)O 409218055 SIQGHEYCWMUYMD-WJDWOHSUSA-N 458.517 3.095 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(N)=O 409218781 KRRAMUJHTPBCST-MKMNVTDBSA-N 492.315 3.231 10 40 JGCB O=C(COc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1)N1CCOCC1 409330199 JRCPKBBLBCWZKI-RGVLZGJSSA-N 484.555 3.059 10 40 JGCB COc1ccc(N(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)Cc2ccccc2)cc1 10395129 OFAFBLUYYAYQDE-UHFFFAOYSA-N 495.601 3.361 10 40 JGCB Cc1cc(C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c(C)n1-c1cccc(Cl)c1 13072724 VWHPWUHZVMDNHO-UHFFFAOYSA-N 465.893 3.177 10 40 JGCB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)cc1 22524517 DVVORXPDLLZBQD-UHFFFAOYSA-N 455.624 3.453 10 40 JGCB Cc1ccc(C)c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 408662231 NRHYQJXNDCJZIR-XJUOHMSHSA-N 460.530 3.348 10 40 JGCB CCOc1ccccc1NC(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408670820 YFZGVSCVOLCXGX-RZUBCFFCSA-N 476.529 3.130 10 40 JGCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(O)c(I)c1 408722339 HJNKGXWVQGXPIF-WUXMJOGZSA-N 484.702 3.482 10 40 JGCB Cc1cc(C(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)c(C)n1-c1ccc2c(c1)OCCO2 8684423 JEKFGCYJNLNKKU-UHFFFAOYSA-N 473.485 3.070 10 40 JGCB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)N3CCCC3)ccc21 8964120 ZSUOLJZARAALNN-NRFANRHFSA-N 476.499 3.469 10 40 JGCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 9310625 MLJXMLFZWXYHAN-HMAPJEAMSA-N 495.491 3.466 10 40 JGCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(SCCO)c([N+](=O)[O-])c3)SC2=S)cc1 32124602 ZFLUEJMENIHVRH-BOPFTXTBSA-N 491.572 3.234 10 40 JGCB COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)CC2)cc1 409178381 LTWRAJZDKZKNIG-UHFFFAOYSA-N 485.650 3.370 10 40 JGCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(I)o1 409221190 MIVFNWZSQZNJJW-VQHVLOKHSA-N 458.664 3.369 10 40 JGCB COc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2ccco2)c1O 8774854 XRPSAYGMEILRAO-GOSISDBHSA-N 455.492 3.357 10 40 JGCB COc1cccc([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)c1O 9972171 BUGSYAXXPKZOBC-LYXWCMDISA-N 472.925 3.374 10 40 JGCB CC(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1 21887173 OTGQRMOCAXMBBB-RUZDIDTESA-N 464.610 3.321 10 40 JGCB CCN1C(=O)C(=Cc2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)C(=O)N(CC)C1=S 408542823 LHYXGAWGVAZDSA-UHFFFAOYSA-N 451.504 3.360 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OS(=O)(=O)c3ccccc3)C2=O)cc1 409070627 CZMBLLFYVDQQAX-HMMYKYKNSA-N 478.482 3.129 10 40 JGCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(NCC(C)C)nc12 2247071 AYMOISWALKDHTK-DISPHTKASA-N 458.609 3.451 10 40 JGCB COc1ccc(N2CCN(C(=O)CN3c4ccc(F)cc4-c4ccccc4S3(=O)=O)CC2)cc1 24608053 DCHIIKDNOKDIFA-UHFFFAOYSA-N 481.549 3.359 10 40 JGCB COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2=O)cc1 27534270 VNMLMCZKFKVSRU-WQRHYEAKSA-N 463.402 3.111 10 40 JGCB CCCCN1C(=O)/C(=c2/s/c(=C3\Sc4ccccc4N3C)c(=O)n2CC)SC1=S 33909235 YYBJOEIJPCXDBK-DJTQBEGKSA-N 463.675 3.006 10 40 JGCB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1N1C(=O)CCC1=O 223396008 MECYKLXVFSPZCM-UHFFFAOYSA-N 464.499 3.380 10 40 JGCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O 409246012 CKWVORQLCMXEFZ-FYJGNVAPSA-N 460.490 3.340 10 40 JGCB COC(=O)COc1ccc(/C=C2/C(=O)N=C(O)N(c3ccc(F)cc3)C2=O)cc1Br 13810399 YPHXOSLLJOECIP-ZSOIEALJSA-N 477.242 3.011 10 40 JGCB Cc1cc(C(=O)CN2CCN(C/C=C/c3ccccc3)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 22809388 MECLAAODDWBQHO-RMKNXTFCSA-N 492.645 3.255 10 40 JGCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)Cn3c(=O)sc4ccccc43)C2=O)ccc1O 32594796 YDJVIQJFRZTEJS-YVLHZVERSA-N 487.584 3.100 10 40 JGCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)c(OCC(N)=O)c(Cl)c2)C1=O 409220395 YRJWQPHGNFCQKO-UUILKARUSA-N 482.707 3.486 10 40 JGCB COc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)NC1CCCC1 9744352 NXZQCJGQNMGZOA-UHFFFAOYSA-N 487.622 3.025 10 40 JGCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)c3c(C)nn(C)c3C)c2C)c1 10197628 ZSIPAUICPYAVOZ-UHFFFAOYSA-N 481.505 3.057 10 40 JGCB N=C1/C(=C/c2ccc(Br)o2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 103593417 KIRXMUFVNYRVOK-FPGBZSMLSA-N 450.318 3.064 10 40 JGCB CN(C)c1ccc(CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCS(=O)(=O)C2)cc1 9357638 MKLDOTZRIMEAHO-QGZVFWFLSA-N 451.932 3.144 10 40 JGCB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)c1ccccc1O 12922354 AGIKBIZRABUWNA-STQMWFEESA-N 473.414 3.494 10 40 JGCB COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 22734751 ORNACLMLSVHBBQ-HSZRJFAPSA-N 457.018 3.450 10 40 JGCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cc(C(=O)OC)ccc1C(=O)OC 103920258 NICLYRWLKXDKCX-BKUYFWCQSA-N 483.452 3.051 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 409054440 GCPRJVDJDPUNKQ-DEDYPNTBSA-N 487.468 3.085 10 40 JGCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 9892469 ILXXLVPRRICFPQ-LHHJGKSTSA-N 454.236 3.326 10 40 JGCB COc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)cc1OC 101156921 SAYDYYCTSDEPKJ-ZRBLBEILSA-N 483.476 3.399 10 40 JGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 9549717 OMRRJRLXKCPUAU-UHFFFAOYSA-N 454.530 3.495 10 40 JGCB C[C@H](OC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 9593819 VYBQHVKMZNMEFY-INIZCTEOSA-N 459.454 3.343 10 40 JGCB Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)c1 408655440 CYBVCQCGRJFZTK-XJUOHMSHSA-N 460.530 3.348 10 40 JGCB Cc1cc(C(=O)COc2ccccc2[N+](=O)[O-])c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 3382195 SYCNOPUPJAJEKJ-UHFFFAOYSA-N 499.545 3.285 10 40 JGCB COCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S 9461069 UJDYILKXWILTHW-LGMDPLHJSA-N 476.624 3.078 10 40 JGCB COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=CSC4=NC3=O)cc2OC)c1 13940413 XNOQEYAUWIGWLZ-ZZYMSUEGSA-N 452.492 3.411 10 40 JGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\NC(=O)Nc2ccc(Br)cc2OC)C1=O 408531592 KWENJSKSSWSLIZ-SDNWHVSQSA-N 487.310 3.309 10 40 JGCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1C(=O)N1CCCCCC1 13647685 PEXKDQSOQZXRJV-UHFFFAOYSA-N 487.622 3.027 10 40 JGCB CCCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc2c1=O 23472667 SFAVLBWPPIEQSZ-UHFFFAOYSA-N 452.580 3.256 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)C(=O)NC2=S)c(OC)c1 59594577 UIUWYNDSYMROOC-GZTJUZNOSA-N 478.482 3.493 10 40 JGCB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)cc1 225496542 GYJFQXFPZVDDLS-UHFFFAOYSA-N 457.596 3.013 10 40 JGCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 408811758 KSBWUIXPHLLKOA-VGOFMYFVSA-N 490.266 3.431 10 40 JGCB COc1ccc(-n2nnnc2SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 9883639 UANNGOYEGUFURL-UHFFFAOYSA-N 471.498 3.177 10 40 JGCB COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1O 13895642 RSTFUOLKFDNINV-NTUHNPAUSA-N 451.660 3.483 10 40 JGCB CCN1C(=O)/C(=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 16957383 VUXBPMFJSVGRAJ-UCHNXLLDSA-N 499.633 3.212 10 40 JGCB CC(C)SC1=NSC2=NC(=O)/C(=C\c3ccc(OS(C)(=O)=O)c(Cl)c3)C(=N)N21 20154687 SWSCTWCGTPTSDE-REFQQJSESA-N 458.974 3.397 10 40 JGCB COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)Nc3cc(C)ccc3C)CC2)cc1 22698765 BDFSTRBISUPWHS-UHFFFAOYSA-N 490.604 3.443 10 40 JGCB Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(C(=O)O)c(O)c3)C2=O)c1C 408528115 FFRFPOWDXKLRMR-MDWZMJQESA-N 474.267 3.049 10 40 JGCB CN(C)c1ccc(CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCS(=O)(=O)C2)cc1 9357640 MKLDOTZRIMEAHO-KRWDZBQOSA-N 451.932 3.144 10 40 JGCB COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c3ccco3)CC2)cc1 15881689 JFWTVEBNSFJDCF-JOCHJYFZSA-N 486.550 3.038 10 40 JGCB Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c(C)c1 20205920 DTNRMTQEXDQIDZ-PCHQCWAOSA-N 498.586 3.383 10 40 JGCB CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)N3CCOCC3)ccc21 22735619 AGHLCAWRYSRGIO-DEOSSOPVSA-N 457.640 3.328 10 40 JGCB COc1cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)ccc1OCc1ccccc1 41084531 DCRABJWBLVHODN-LCQIMXFNSA-N 477.546 3.183 10 40 JGCB COC(=O)C[C@H]1c2cccnc2Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 96222365 CWNQBIJFLGGPDN-LBPRGKRZSA-N 463.398 3.478 10 40 JGCB biogenic Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(-n4nc(C)cc4C)c(C(=O)O)c3)C2=O)c(C)c1 408528048 FAKAUTZMWQOADG-XDHOZWIPSA-N 473.489 3.383 10 40 JGCB CCn1c(CN(CCC(N)=O)c2ccc(OC)cc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 9715235 CQQROMIKRMKJCF-UHFFFAOYSA-N 499.637 3.121 10 40 JGCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1CN1C(=O)c2ccccc2C1=O 13777580 YFWBXEATEVJJMR-STZFKDTASA-N 495.491 3.466 10 40 JGCB O=C(CN1C(=O)/C(=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21)NCc1ccccc1 16732709 YXEFJKKVEHSUTN-NFFVOIMASA-N 493.610 3.100 10 40 JGCB COc1ccc(N2CCN(c3nnc(SCC(=O)NCCc4ccccc4)s3)CC2)cc1 23139993 WDCYYCPVWLBYED-UHFFFAOYSA-N 469.636 3.324 10 40 JGCB COc1ccc(N2CCN(CN3C(=O)N[C@](Cc4ccccc4)(c4ccccc4)C3=O)CC2)cc1 23936845 PDTPUGMFZCQKDF-MUUNZHRXSA-N 470.573 3.465 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1O 408890647 XCUBQQUGZPAFIK-MDWZMJQESA-N 478.242 3.062 10 40 JGCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1C 20206394 VHJQPQODGFZRBF-ROQGJMCKSA-N 491.982 3.377 10 40 JGCB CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(Cl)c1 38556559 AVDVQQCIYBVZDN-UHFFFAOYSA-N 496.029 3.155 10 40 JGCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(I)cc1 6177799 NPFHXIYCCAPMRV-UHFFFAOYSA-N 463.275 3.133 10 40 JGCB O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 12659592 NXLKSHPSVGTPRB-UYHBEJOSSA-N 471.629 3.147 10 40 JGCB biogenic CN(C)c1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(C(=O)c3ccco3)CC2)cc1 13504795 ZTMLDJDONVOBEG-DEOSSOPVSA-N 489.555 3.067 10 40 JGCB CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 23855208 TWKIKCSBVKGUAD-UHFFFAOYSA-N 470.573 3.408 10 40 JGCB C/C(NCc1ccc(S(N)(=O)=O)cc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 112298798 IGZMNVGNLDWDKV-JWGURIENSA-N 464.522 3.288 10 40 JGCB COc1ccc([N+](=O)[O-])cc1N/C=C1/C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O 408551572 NUMIERMKQHPWBF-FLIBITNWSA-N 450.835 3.140 10 40 JGCB CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)CC1 8834851 YDEAPELGXKDFRI-SILNSSARSA-N 491.642 3.238 10 40 JGCB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1cccc(F)c1 34860969 DEOQJSMCDFHXGP-MOSHPQCFSA-N 461.449 3.313 10 40 JGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cccc4c3C(=O)[C@H]3C=CC=C[C@H]3C4=O)C2=O)cc1 101125387 AZMOJJDYAQZQGS-OUXIGPNZSA-N 453.454 3.311 10 40 JGCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 222768506 AKTQZCSVCZLJOS-QGZVFWFLSA-N 463.600 3.021 10 40 JGCB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2ccc3nc(O)[nH]c3c2)C1=O 408532931 NDNXQWHNKRTWNN-UKTHLTGXSA-N 470.283 3.172 10 40 JGCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)c([N+](=O)[O-])c1 408694177 DQTASRJJERRVKC-WOJGMQOQSA-N 452.467 3.415 10 40 JGCB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)CC2)c(C)c1 10906643 JUHWMLXBFBHWMQ-UHFFFAOYSA-N 485.650 3.199 10 40 JGCB O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100910767 UZMSHGBGCHVFDL-OKCDWEHVSA-N 461.908 3.172 10 40 JGCB COC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21 1219315 IYMXYJQKDJOLRZ-YVLHZVERSA-N 482.290 3.243 10 40 JGCB COCCCN1C(=O)/C(=C/c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S 2374447 AZBJKLPJCRNAGG-HKWRFOASSA-N 492.626 3.495 10 40 JGCB COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 32109351 OYQXIBRFTAXCAH-BTWTVLLVSA-N 470.532 3.410 10 40 JGCB COc1cc(Br)ccc1NC(=O)N/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 408533202 RRKWINYHOMOXRO-XNTDXEJSSA-N 487.310 3.363 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](CO)Cc3ccccc3)C2=O)cc1 10232872 RXYGXRRRSVMUQS-OFBHVFLISA-N 456.589 3.006 10 40 JGCB O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100910764 UZMSHGBGCHVFDL-KEWUKBEVSA-N 461.908 3.172 10 40 JGCB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cccc(Cl)c1 408671276 YYYDOFRUUQCGJE-NJYVYQBISA-N 466.921 3.384 10 40 JGCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 3212708 NBDQZRFGIPDWCV-RQZCQDPDSA-N 460.489 3.468 10 40 JGCB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1Cl 16678307 RAXRIXQBSLAQJQ-UHFFFAOYSA-N 496.029 3.107 10 40 JGCB O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 44885639 KBOHJEYNGAXDRM-UHFFFAOYSA-N 459.587 3.284 10 40 JGCB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)Nc1ccc(I)cc1 409348255 RUHXNNQPDBRPDJ-OVCLIPMQSA-N 496.282 3.377 10 40 JGCB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260813217 QSCUDAPMLVQYCX-RBUKOAKNSA-N 459.612 3.429 10 40 JGCB COC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)o2)cc1 9191377 NSDRSTCHMMQHOH-VFHVDCSJSA-N 491.529 3.365 10 40 JGCB CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCC(C)C)C2=O)CC1 9379763 FMFBSUSNGDBFIP-CYVLTUHYSA-N 485.679 3.392 10 40 JGCB CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)cc1 41084391 NANQMBLFGCDRRP-OEMPCWLZSA-N 478.578 3.402 10 40 JGCB O=[N+]([O-])c1ccc(/N=N\c2c(S(=O)(=O)O)cc3cccc(S(=O)(=O)O)c3c2O)cc1 104175592 BKUZYERIGBKFLS-ZCXUNETKSA-N 453.410 3.362 10 40 JGCB CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCC(=O)O)C(=O)NC2=S)cc1 409375743 OTDXPEHWOLSXHP-MHWRWJLKSA-N 489.347 3.306 10 40 JGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1c(O)[nH]c(=O)n(-c2ccc(Br)c(C)c2)c1=O 8443058 FARQBDUIJQMUBW-BOPFTXTBSA-N 495.333 3.417 10 40 JGCB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 12930910 LFTNOEYGIHEEAQ-YVLHZVERSA-N 479.557 3.057 10 40 JGCB COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)Nc3cccc(C)c3C)CC2)cc1 22698763 KVOJMGQJZLTOOQ-UHFFFAOYSA-N 490.604 3.443 10 40 JGCB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 40221212 YAYYHHFUEJOBKX-GDNBJRDFSA-N 453.501 3.081 10 40 JGCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4OC)c3C)C(=O)N=C2S1 41083821 DQLLTUCMPSHWBZ-AXPJIBDUSA-N 471.564 3.114 10 40 JGCB CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N\c3ccccc3)c(O)c12 101086181 RSNSKUBBVCGSND-MRCUWXFGSA-N 465.465 3.413 10 40 JGCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccc(Br)cc1 113830951 QSNKECRPHMETMZ-UHFFFAOYSA-N 459.296 3.471 10 40 JGCB O=C(CSc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 408990351 KTNQLSZEDHEEOY-UHFFFAOYSA-N 476.470 3.228 10 40 JGCB CCOc1cc(/C=C2\C(=O)NN(c3ccc(C)cc3)C2=O)cc(I)c1O 1436612 IMPJQDWVMYJJKY-RIYZIHGNSA-N 464.259 3.165 10 40 JGCB CC(/C=C1\SC(=S)N(CCC(=O)NCCCN2CCOCC2)C1=O)=C\c1ccccc1 9434113 ZXOGONLHNSWSJF-MOKUSBMGSA-N 459.637 3.063 10 40 JGCB CC(=O)[C@@H](/N=N\c1ccc(S(=O)(=O)Nc2nncs2)cc1)C(=O)Nc1ccccc1C 104123625 ZIKAYCNSRMNLHB-LBNMDVIHSA-N 458.525 3.327 10 40 JGCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N(CCO)Cc2ccccc2)C1=O 8819351 BUUDMNISCRZPME-HKWRFOASSA-N 456.589 3.308 10 40 JGCB COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O 409242119 MFEDVFFBACNUTA-WOJGMQOQSA-N 457.939 3.017 10 40 JGCB COc1ccc(OC)c(/C=C2\SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)c1 2412794 KRYIDHBPISMBFP-BOPFTXTBSA-N 450.563 3.107 10 40 JGCB O=C(O)c1cccc(S(=O)(=O)Nc2cc(Br)c(O)c(Br)c2)c1 8439340 MNRIIDRHUGBKAH-UHFFFAOYSA-N 451.092 3.416 10 40 JGCB C(=C1/CCC2=C1Nc1nnnn1[C@H]2c1ccc(N2CCOCC2)cc1)\c1ccc(N2CCOCC2)cc1 9221323 AXMSHOHLXNQUBR-PUNYLYHSSA-N 497.603 3.493 10 40 JGCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2F)C1=O 9601516 AUKCHRHBVMSUBB-DEDYPNTBSA-N 452.486 3.356 10 40 JGCB COc1cccc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)c1 9872206 PONQTKKZIWZPRM-SANMLTNESA-N 475.501 3.481 10 40 JGCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@@H]3NC(N)=Nc4nc5ccccc5n43)c2C)c1 12618480 BUGSBMOIKACWOA-OAQYLSRUSA-N 472.505 3.113 10 40 JGCB COc1ccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)NCCc3ccccc3)CC2)cc1 38487575 UWOOEXRHJUFBMB-UHFFFAOYSA-N 485.631 3.240 10 40 JGCB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccccc1O)c1ccc(Cl)cc1 95481755 AIGDFZZYFZFHEW-UHFFFAOYSA-N 456.907 3.424 10 40 JGCB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cc(C)ccc4C)C3)CC2)cc1 225923509 WZICFIJODDELLA-OAQYLSRUSA-N 471.623 3.062 10 40 JGCB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)O)cc2)C1=O 408946755 ZFOWRXOMRBMSSI-XNTDXEJSSA-N 459.252 3.212 10 40 JGCB Cc1cc(C(=O)COC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)c(C)n1-c1ccc(OC(F)F)cc1 9208922 DRFIFQXGMZZIRN-UHFFFAOYSA-N 497.454 3.125 10 40 JGCB O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)cccc21 10186969 JTRJWLJYSKEKBA-GOSISDBHSA-N 466.540 3.315 10 40 JGCB COc1ccc(OC[C@H](O)CN(C[C@@H](O)COc2ccc(OC)cc2)c2ccc(OC)cc2)cc1 10381841 NGDLDTSUOWYKTK-FGZHOGPDSA-N 483.561 3.399 10 40 JGCB CC1CCN(C(=O)Cn2cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c3ccccc32)CC1 409207313 RWVXNYLDJNDSBT-STZFKDTASA-N 462.550 3.304 10 40 JGCB C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 1597002846 LJKNKRMRFYEAAX-SLYNCCJLSA-N 458.603 3.040 10 40 JGCB CCN(CC)c1ccc(/C=c2\sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3c2=O)cc1 2284204 HVLCNDNLSOXZBH-NDENLUEZSA-N 466.563 3.238 10 40 JGCB COc1cccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c1 10113320 GOVZHZPDPAHMHF-UHFFFAOYSA-N 495.601 3.044 10 40 JGCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)N(C)C)ccc21 13008658 XTZZQCRECQDJFD-HXUWFJFHSA-N 464.488 3.325 10 40 JGCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1cc2[nH]c(=O)[nH]c2cc1[N+](=O)[O-] 101346635 MRGRIFWNIYKIMK-WQLSENKSSA-N 457.244 3.245 10 40 JGCB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1OC 260841261 LEYCWZYJTRRVJI-OALUTQOASA-N 489.638 3.438 10 40 JGCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)cc1 409156811 TXCPXPSILOZUEQ-MOSHPQCFSA-N 482.518 3.415 10 40 JGCB O=C(NCc1ccc(O)c(O)c1)c1cccnc1N1CCN(Cc2cccc(Cl)c2)CC1 1630273636 RKBMARZKPFATPH-UHFFFAOYSA-N 452.942 3.398 10 40 JGCB COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccn3)C2=O)cc(OC)c1OC 13400210 XMWLPIOEGQCDCV-VBKFSLOCSA-N 459.549 3.337 10 40 JGCB CCOc1ccc(Br)cc1/C=C1\C(=O)N(c2ccc(S(N)(=O)=O)cc2)N=C1C 27572109 LNRFGCIEMPUNDC-BOPFTXTBSA-N 464.341 3.301 10 40 JGCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409259538 AIPXRIMIRUXMET-UHFFFAOYSA-N 494.356 3.242 10 40 JGCB Cc1cc([C@@H]2Nc3ccccc3C(=O)N2C)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 15249608 BQPYHIHYBMCIDK-XMMPIXPASA-N 480.590 3.311 10 40 JGCB COc1ccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1 28208582 ZAJKOJDTOFRMEL-UHFFFAOYSA-N 471.623 3.151 10 40 JGCB Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C 223583180 KLRFLDNEIHGCGX-YADHBBJMSA-N 450.564 3.461 10 40 JGCB COc1ccc(NN/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1 408531660 LBGSMIAMLILWSW-XNTDXEJSSA-N 459.300 3.158 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(N4CCCC4)cc3OC)C(=O)NC2=S)c(OC)c1 409095747 IQXMCXPQKYBIJS-GZTJUZNOSA-N 497.573 3.153 10 40 JGCB Cc1cc(C(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(C)n1-c1ccc2c(c1)OCCO2 10532047 WCYTXDSPAAWEEX-UHFFFAOYSA-N 451.435 3.395 10 40 JGCB O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 13301940 ABIRCORJMDMRBZ-WPBJZHHJSA-N 450.519 3.243 10 40 JGCB COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccc(C)cc1 41077807 POLGGFDTSHZTMC-HRIUQOHOSA-N 484.559 3.204 10 40 JGCB CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 225556932 UMOINVBPZDOGIV-FQEVSTJZSA-N 492.598 3.311 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCC(=O)O 408775536 ICAYABVXEVRXKC-LZYBPNLTSA-N 472.881 3.485 10 40 JGCB COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O 408789109 JJZSLEIXAIFEOJ-NTUHNPAUSA-N 498.660 3.325 10 40 JGCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 408947251 BLHCZMPNNXOQHB-GRSHGNNSSA-N 474.429 3.397 10 40 JGCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc(OC)c1OC 1818203 BXNZCJJHEYRUFA-YBEGLDIGSA-N 475.504 3.167 10 40 JGCB COc1cc(/C=C2/C(=N)N3N=C(Cc4ccc(OC)c(OC)c4)SC3=NC2=O)ccc1O 9312459 HVBUNIUPXDGMRO-XCZKDOAFSA-N 452.492 3.280 10 40 JGCB CCOc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 41084417 CUISDRIRUBZQII-GJXXPDGXSA-N 496.505 3.162 10 40 JGCB O=C1N=C(O)/C(=C/NCc2ccc3c(c2)OCO3)C(=O)N1c1ccc(I)cc1 103223376 DPMFWPHVOKIIKI-ZROIWOOFSA-N 491.241 3.117 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 409084428 XGHQPZPHBIGMDO-UDWIEESQSA-N 488.452 3.344 10 40 JGCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 409136260 SDEQWNLTPFWQFV-LFIBNONCSA-N 474.286 3.091 10 40 JGCB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c(OC)c1 8801635 DKKZQIFBAAHNKC-QFIPXVFZSA-N 459.612 3.202 10 40 JGCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 205915403 FIYAMUQKXZMVAR-XDHOZWIPSA-N 453.520 3.451 10 40 JGCB C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)cc2)C1 260816642 XYEJOOJCLLCACC-RBUKOAKNSA-N 459.612 3.402 10 40 JGCB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1Cl 408666603 RFVKLFDWUYSKEH-UEXGIBASSA-N 466.921 3.384 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc([N+](=O)[O-])c1O 408742517 RKELAHXYGLWDFN-WUXMJOGZSA-N 492.307 3.211 10 40 JGCB COC(=O)COc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(C)=C2C(=O)OC)cc1 408997291 MMYVEDDOHKDHJT-STZFKDTASA-N 495.528 3.171 10 40 JGCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1)Nc1ccccc1 409043585 RSKGQFMKWSDDTG-FYJGNVAPSA-N 486.440 3.279 10 40 JGCB CCCCCN1C(=O)/C(=C/c2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)SC1=S 2194926 DGJVGSFKAHVSDD-JXAWBTAJSA-N 499.662 3.096 10 40 JGCB COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(OC(C)C)cc3)CC2)c([N+](=O)[O-])c1 9064480 XFKZWCZHMXQHSU-UHFFFAOYSA-N 458.540 3.228 10 40 JGCB CCCCN1C(=O)/C(=c2/s/c(=C3\Sc4ccc(OC)cc4N3C)c(=O)n2CC)SC1=S 28615420 NFJJURNKJAGYEK-IKBKFCNISA-N 493.701 3.015 10 40 JGCB COc1ccc(N2CCN(C(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3)CC2)cc1 31081029 AYLAHGYBKFRZMZ-UHFFFAOYSA-N 465.575 3.239 10 40 JGCB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCC(=O)Nc2ccc(F)cc2)c1 33583616 IVMDQGSEBGDCGK-HMAPJEAMSA-N 474.492 3.371 10 40 JGCB Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)cc1 103594939 JROIETWFUCPGNC-ZQCYNNBZSA-N 490.589 3.271 10 40 JGCB O=[N+]([O-])c1ccc(/N=N\c2c(O)ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1 104366677 VWPHLICFDUSGFJ-ZCXUNETKSA-N 453.410 3.362 10 40 JGCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1N1C(=O)CCC1=O 224975498 JXUNIGZWYLWSDV-QGZVFWFLSA-N 471.579 3.063 10 40 JGCB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccccc3)C(=O)c3ccccc3C2=O)cc1 248151822 WSYVCAZLQKSAFH-BDTNDASRSA-N 453.450 3.390 10 40 JGCB Cc1cccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 409048955 UQYVSZQBTUXKSF-KGENOOAVSA-N 471.469 3.385 10 40 JGCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 3097632 FOPBKWHCYMYQRO-RQZCQDPDSA-N 460.489 3.468 10 40 JGCB COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(=O)N(C)C2=S)cc1 8444838 QUCWRHADAOAWDM-NBVRZTHBSA-N 453.520 3.230 10 40 JGCB O=[N+]([O-])c1ccc(/N=N\c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc3c2O)c([N+](=O)[O-])c1 12405052 AYCFJUKXFTYTGH-ZCXUNETKSA-N 498.407 3.271 10 40 JGCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OCC(=O)O 16915809 NBLTVHRQTXWIMA-WOJGMQOQSA-N 488.543 3.104 10 40 JGCB COC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 208471538 WPBSWYMPYJXJAQ-LICLKQGHSA-N 498.358 3.408 10 40 JGCB Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1C 223583232 KLRFLDNEIHGCGX-FCHUYYIVSA-N 450.564 3.461 10 40 JGCB COCC(=O)N1CCCCCCCNCc2cc(N3CCN(c4ccccn4)CC3)ccc21 2037931650 YMTMFCLRLWCLQJ-UHFFFAOYSA-N 451.615 3.441 10 40 JGCB CCCCCCN1C(=O)/C(=C/c2c(N3CCN(C)CC3)nc3ccccn3c2=O)SC1=S 2338173 XMBQDAJXJUYINC-VLGSPTGOSA-N 471.652 3.228 10 40 JGCB Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c2C)c1C 41077696 WXOXPPJRNULFQE-OXMFYWCOSA-N 455.565 3.332 10 40 JGCB Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 409217700 FKKZTVZPNASHKZ-KGENOOAVSA-N 471.469 3.385 10 40 JGCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1Cl 21887156 GEKMLRMMLVJKMQ-QHCPKHFHSA-N 471.001 3.159 10 40 JGCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OC(C)=O)cc4)c3C)C2=O)o1 108210321 PHZFDSVPBVXZOU-MTJSOVHGSA-N 477.473 3.492 10 40 JGCB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)nc1 223149089 JJNJSDAWYWIKJV-JWQCQUIFSA-N 476.650 3.497 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OS(=O)(=O)c4ccccc4)c3)C2=O)cc1 409072806 LDXVSIOAYRMKHM-QNGOZBTKSA-N 478.482 3.129 10 40 JGCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c1O[C@H](C)C(=O)O 409229045 IWPPORVNVUBMMH-BTAWCLGRSA-N 460.895 3.032 10 40 JGCB COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCc3ccccc3Cl)c3ccco3)CC2)cc1 56946253 AYAMDAOMHGUPLA-QHCPKHFHSA-N 496.995 3.238 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409409273 UYABLTLHNYIHBS-STZFKDTASA-N 457.486 3.483 10 40 JGCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 9469940 NHRKVTNKYKQZIJ-HXUWFJFHSA-N 480.030 3.478 10 40 JGCB Cn1c(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)ccc1-c1cccc(Br)c1 58329985 RLLBICDWAAFCFT-UHFFFAOYSA-N 467.367 3.321 10 40 JGCB CCCN1C(=O)/C(=C/c2c(NCCCn3ccnc3)nc3c(C)cccn3c2=O)SC1=S 8834820 GOZKDJNQBQDVAN-LGMDPLHJSA-N 468.608 3.313 10 40 JGCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C 408530501 IZRPMZYAIHIXCD-VBKFSLOCSA-N 483.370 3.424 10 40 JGCB Cc1cccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1C 408671336 ZDLBOMQJKOGIBK-XPNTWCBSSA-N 460.530 3.348 10 40 JGCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 8660891 ZMOMTJLGTKTMSG-PCEHLNCXSA-N 458.609 3.226 10 40 JGCB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCC1 8964182 PXZPTWDGJWQZJU-NRFANRHFSA-N 456.974 3.233 10 40 JGCB Nc1c(C(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccccc2)c(=O)[nH]c(=O)n1C1CC1 9914963 QBYNEPSZTGUGBT-UHFFFAOYSA-N 491.548 3.480 10 40 JGCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C 408536939 YJWDBTLCMFLRPS-JXAWBTAJSA-N 480.956 3.086 10 40 JGCB CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)c(OC(C)=O)c(Br)c2)S1 408755620 RBPYGKZRGLBWTO-WZUFQYTHSA-N 462.119 3.243 10 40 JGCB COc1ccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4cc(C)cc(C)c4C)C3)CC2)cc1 585282102 HAYBWEDEIFJXHQ-MUUNZHRXSA-N 484.637 3.094 10 40 JGCB COc1ccc(N2CCN(c3cnn(-c4nc5ccccc5n4C)c(=O)c3Cl)CC2)cc1 8973106 WEKPXLDYOUSRJN-UHFFFAOYSA-N 450.930 3.108 10 40 JGCB Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)n1-c1ccccc1 25198160 GUPRYNSUEZGVEC-UHFFFAOYSA-N 453.564 3.045 10 40 JGCB CCCCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2cc(C)[nH]c2c1=O 67238523 WJSAQAFXJNSRTC-UHFFFAOYSA-N 469.611 3.283 10 40 JGCB CCN(CC)c1ccc(CNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 224595802 PCKOEJFSQLELCW-UHFFFAOYSA-N 492.598 3.312 10 40 JGCB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 225256338 BOYLYBDUBZYJJC-BWAHOGKJSA-N 458.562 3.427 10 40 JGCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)c1 409138138 ZBYNRMNDEOCIEU-FYJGNVAPSA-N 497.573 3.084 10 40 JGCB CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1 409143509 GZPIVKHSXOYWDJ-RCCKNPSSSA-N 466.563 3.264 10 40 JGCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(NC(=O)c4ccccc4)c3C)C2=O)c1 409212441 MHUBZZWSFANISJ-HMAPJEAMSA-N 471.517 3.329 10 40 JGCB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CC(=O)O)C(=O)O)C3=O)o2)cc1 8819002 UTFMGRSJEXQACB-BRYYZUPOSA-N 475.500 3.252 10 40 JGCB Cc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 41077699 RNYVXFCOOQGECV-NQDRLLCNSA-N 461.956 3.369 10 40 JGCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 408532759 VRQRHEJIFGHVAF-BOPFTXTBSA-N 452.419 3.267 10 40 JGCB COc1ccc(OCCC(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 12555794 DVNMYNRXDJQZPF-UHFFFAOYSA-N 459.454 3.421 10 40 JGCB Cc1cc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)ccc1Br 21359475 BTHSDXIOUCDOSP-UHFFFAOYSA-N 463.353 3.383 10 40 JGCB O=C(O)CN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 26842396 VYPAZZFJNQGXHE-UVTDQMKNSA-N 455.542 3.132 10 40 JGCB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 70037225 HSOZFJDBINDOKI-FTXPHJNYSA-N 471.623 3.159 10 40 JGCB COc1ccc(CN2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)OC32C(=O)c3ccccc3C2=O)cc1 101165345 FEWAORISZYGSDB-DNVJHFABSA-N 467.477 3.386 10 40 JGCB COc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O 102667064 LWIKTGSKAFPMNH-BHDDXSALSA-N 453.450 3.390 10 40 JGCB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1ccc(S(=O)(=O)CCO)cc1 408534339 QKNABBQQSCQTHK-PDGQHHTCSA-N 478.368 3.242 10 40 JGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc(Br)c1O 408898964 NLKRYOBUBNYHQD-WUXMJOGZSA-N 466.631 3.383 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Br)c1OC 408936557 GOEXRDFYKZSYPV-RIYZIHGNSA-N 489.278 3.221 10 40 JGCB CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1 409192370 BLOPYYDOAKCFOX-XSFVSMFZSA-N 460.515 3.073 10 40 JGCB C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)C(=O)O 409194147 OIZHKTXOHNTMOR-KBVGCWLLSA-N 475.320 3.132 10 40 JGCB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(O)c(I)c3)C(=O)NC2=S)c1 9323527 KCYXZGMCTCWZQJ-JYRVWZFOSA-N 478.311 3.445 10 40 JGCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(N4CCOCC4)o3)C2=O)c1C 9435999 CIKDVWFNRWJVCK-GDNBJRDFSA-N 474.311 3.162 10 40 JGCB CCCCOC(=O)c1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)cc1 21359470 UQALONXLYKMCOM-UHFFFAOYSA-N 470.547 3.269 10 40 JGCB COC(=O)COc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Cl 35088237 PHYPOIAJBQIMLH-JYRVWZFOSA-N 495.713 3.124 10 40 JGCB CCN(CC)c1ccc(CNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 224331661 KPCKCNAWZMZEHR-UHFFFAOYSA-N 468.417 3.378 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3c(C)nn(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 408758146 WABPCFDKPJGQCJ-NDENLUEZSA-N 461.434 3.072 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)cc3Br)C(=O)NC2=S)cc1 9730867 WEOWMECZEZDZSW-NTUHNPAUSA-N 463.309 3.003 10 40 JGCB CC(C)C[C@@H](C(=O)O)N1C(=O)C[C@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O 19879864 WVLJUXXGVUCSBV-FCRXFSNDSA-N 458.561 3.071 10 40 JGCB COc1ccc(N2CCN(c3nccnc3SCC(=O)NCc3ccc(F)cc3)CC2)cc1 33292963 USSHJTGAANSEGS-UHFFFAOYSA-N 467.570 3.359 10 40 JGCB CCCCN(C(=O)COC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)[C@H]1CCS(=O)(=O)C1 49597314 KOKGFTGXRHEDEP-FQEVSTJZSA-N 476.595 3.075 10 40 JGCB CC(=O)N(C(=O)CC(=O)N1N=C(C)[C@@H](/N=N/c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Cl)cc1 102957217 BWYKHKMSRWKBEB-BBJJLJPOSA-N 484.856 3.415 10 40 JGCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 225858209 WTDZDZAVOYFEET-UHFFFAOYSA-N 468.417 3.378 10 40 JGCB Cc1c(NC(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C 3166889 AJRILQWNIWTDRC-AQTBWJFISA-N 464.572 3.324 10 40 JGCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2ccc(S(N)(=O)=O)cc2)cc1 20289148 SZIFKZMTMKQIKF-KQWNVCNZSA-N 492.557 3.488 10 40 JGCB COc1ccc(N2CCN(C(=O)CCc3nc(-c4cc5cc(C)ccc5[nH]c4=O)no3)CC2)cc1 35373520 GNDZPMGGNGFSGE-UHFFFAOYSA-N 473.533 3.177 10 40 JGCB COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c(Br)cc1OCC(=O)O 101524523 YVAPKERFTIXMJX-CHHVJCJISA-N 489.278 3.425 10 40 JGCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)o1 409191981 RNFRKKMCESWEQL-GZTJUZNOSA-N 493.453 3.393 10 40 JGCB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 224567366 RGUUKJQPMLAKTF-BWAHOGKJSA-N 458.562 3.427 10 40 JGCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2C)C1=O 408740763 HYTOQEMRXIUGHJ-PCJMVEANSA-N 497.374 3.471 10 40 JGCB CCN(CC)CCOC(=O)c1ccc(N/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1 9355018 IZWUYZUGNHLWIF-HMMYKYKNSA-N 484.553 3.068 10 40 JGCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)N(CCO)Cc3ccccc3)C2=O)cc1 27530564 QPVQZBOINHEGIJ-XSFVSMFZSA-N 456.589 3.308 10 40 JGCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 59109611 KMIJATYOQDCISD-UHFFFAOYSA-N 465.510 3.426 10 40 JGCB CCCCCN1C(=O)/C(=C/c2c(N3CCN(CC)CC3)nc3ccccn3c2=O)SC1=S 2318151 NDCLEHIJMRNJCP-VLGSPTGOSA-N 471.652 3.228 10 40 JGCB Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 3377432 JYKLAKDAJAACIQ-UHFFFAOYSA-N 473.485 3.039 10 40 JGCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)cc3C)C(=O)NC2=S)cc1 9260398 ZHPKQLRGSHEFQT-QNGOZBTKSA-N 451.548 3.062 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CC(=O)OCC(=O)N(C)c3ccccc3)C2=O)cc1 35263294 HIFJAMRCAHZALQ-LDADJPATSA-N 456.545 3.103 10 40 JGCB COCCN1C(=O)/C(=C\c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)C(C(=O)OC)=C1C 409001968 LFLDHNCDJBKZEI-MPGAHLTBSA-N 478.545 3.262 10 40 JGCB COCCN1C(=O)/C(=C/c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 9411290 PXAZYCDKDNZZPM-MMMBSIAWSA-N 472.636 3.333 10 40 JGCB COc1ccc(CCN2C(=O)/C(=C\N3CCN(CCc4ccccn4)CC3)SC2=S)cc1OC 13731724 ZGRFAZSXAIMTTR-PTGBLXJZSA-N 498.674 3.203 10 40 JGCB CC(=O)Oc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)cc1 408854014 VPHNHEPFBIUVGF-SRZZPIQSSA-N 487.468 3.415 10 40 JGCB O=C1NC(=O)C(=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)C(=O)N1 409185911 SKJUWHWNCNFVKF-UHFFFAOYSA-N 499.932 3.074 10 40 JGCB COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)cc(OC)c1OC 8714587 UXZNAXWTPXGDID-YVLHZVERSA-N 489.531 3.461 10 40 JGCB COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9165153 GODQLYGSKMRCEF-HSZRJFAPSA-N 450.583 3.360 10 40 JGCB Cc1cc(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c(C)n1-c1ccc2c(c1)OCCO2 9582846 ULTZZZLPBDLXGE-UHFFFAOYSA-N 460.446 3.366 10 40 JGCB O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 12311470 FYDNUXYZLWIIFU-UHFFFAOYSA-N 453.406 3.364 10 40 JGCB COc1ccc(-n2ccnc2SCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 24993500 KZBXAGKPLDBEFS-UHFFFAOYSA-N 452.580 3.468 10 40 JGCB C[C@H](Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)C(=O)O 33705242 YPRVJGWDRMIUCD-BNDQCTAISA-N 465.687 3.416 10 40 JGCB O=C(C[C@H](c1ccc2ncccc2c1)c1c(O)n2ccccc2nc1=O)NCCc1ccc(O)c(O)c1 230462057 NJBSVOSHCZKKOH-HXUWFJFHSA-N 496.523 3.240 10 40 JGCB CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC 408692301 JJSDEYZACACPBB-JYRVWZFOSA-N 484.290 3.103 10 40 JGCB C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)C(=O)O 409194144 OIZHKTXOHNTMOR-HGLKBHAMSA-N 475.320 3.132 10 40 JGCB O=C1c2ccccc2C(=O)N1CCN1C(=O)[C@@]2(NN=C(c3ccccc3)S2)c2ccccc21 409204536 IJVCWQZDPZTVHH-RUZDIDTESA-N 454.511 3.180 10 40 JGCB C[C@@H]1[C@@H](NC(=O)Cn2c(=O)/c(=C/c3ccc(N(C)C)cc3)s/c2=C/C(=O)C(C)(C)C)CCC[C@H]1C 585139632 XTUCJUIMBLKLHX-BEMGNBQQSA-N 497.705 3.141 10 40 JGCB Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)c2C)cc1 3421704 UQVQEZWIVRRPDG-OAQYLSRUSA-N 460.596 3.231 10 40 JGCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC 408798847 GBZDHWHJOGXYGU-OQLLNIDSSA-N 458.854 3.200 10 40 JGCB C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21 409202459 SMPWSRUNNKVKJS-XESZTULISA-N 462.550 3.447 10 40 JGCB Cc1cc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1NC(=O)c1ccccc1 409215504 ABGFDMDUPPBBJH-BKUYFWCQSA-N 459.462 3.490 10 40 JGCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)O)c(Cl)c3)C(=O)NC2=S)cc1 9259338 VHAXMLXJGNHWRE-DHDCSXOGSA-N 460.895 3.033 10 40 JGCB COc1cc(N2CCCCC2)c(OC)cc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O 408551147 LKZCIEWEGXOGJO-DEDYPNTBSA-N 459.568 3.353 10 40 JGCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)c1 409221577 SETMIGOFEXWQPY-RGVLZGJSSA-N 458.474 3.251 10 40 JGCB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(N2CCCC2)cc1 13612723 XAFBNXDCYSSSJB-UHFFFAOYSA-N 457.596 3.400 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(OC)c1O 16576051 OUQWOMZFCLJOGG-IKWVTPRCSA-N 454.523 3.476 10 40 JGCB CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)Oc2ccc(Cl)cc21 20455717 DLDAGOZWESIRTJ-NRFANRHFSA-N 463.987 3.174 10 40 JGCB COc1ccc(N2CCN(C(=O)Cn3c(Nc4cc(C)cc(C)c4)nc(C)cc3=O)CC2)cc1 67246438 IOYJDRYRRUSFNB-UHFFFAOYSA-N 461.566 3.270 10 40 JGCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 113833917 WSOUDZAURKNLKX-RQZCQDPDSA-N 460.489 3.468 10 40 JGCB Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C 223583123 KLRFLDNEIHGCGX-FGZHOGPDSA-N 450.564 3.461 10 40 JGCB Cc1ccc(NC(=O)COc2c(Cl)cc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1C 409269525 KACLEIUDCGAODK-UHFFFAOYSA-N 462.289 3.377 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccccc1 22749894 ZGWKNQQXDCFJFI-WLGHQHAYSA-N 491.613 3.350 10 40 JGCB Cc1ccc2nsnc2c1NC(=S)NC(=O)/C=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 408574583 SFVGRBYNAWLBHY-QPJJXVBHSA-N 484.563 3.271 10 40 JGCB COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccccc4Cl)C3)CC2)cc1 19859806 RBSZUVKPTPFAGI-IBGZPJMESA-N 492.041 3.239 10 40 JGCB COc1ccc(CC2=NN3C(=N)/C(=C\c4ccc5c(c4)OCO5)C(=O)N=C3S2)cc1OC 35146284 YFIOUVYNTGPHKA-GKRGOCDPSA-N 450.476 3.294 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)c2C)cc1 223599846 LRTKRBCDSKYJCP-VXKWHMMOSA-N 450.564 3.241 10 40 JGCB COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1Br 409167771 NACTUYBWQPOZRP-XYOKQWHBSA-N 477.336 3.306 10 40 JGCB Cc1ccc(N2C(=O)/C(=C/c3ccc(I)o3)C(=O)NC2=S)cc1C 3345618 BYQRMLYCEZEYIX-MDWZMJQESA-N 452.273 3.332 10 40 JGCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(Oc2ccccc2)cc1 13673863 LMFFCXVAALBTQJ-UHFFFAOYSA-N 495.601 3.398 10 40 JGCB COc1ccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)NCc3ccc(F)cc3)CC2)cc1 44165839 MBYWUHSQFRWNNB-UHFFFAOYSA-N 489.594 3.337 10 40 JGCB COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCN(c2ccc(OC)cc2)[C@@H](C)C1 61927026 IAFWNPOXSUDNPD-INIZCTEOSA-N 466.538 3.121 10 40 JGCB N=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 101104558 SCGXDCPYETYRRV-RSRMSENYSA-N 483.937 3.468 10 40 JGCB CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1ccccc1Cl 67205014 IYCYZUNUAODLJV-HSZRJFAPSA-N 484.984 3.342 10 40 JGCB Cc1cc(C)cc(N(CCCC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 113967846 UMBJMYSKKIORFY-UHFFFAOYSA-N 459.612 3.003 10 40 JGCB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCCCC4)C3=O)o2)c1 205815282 YXICGIXQJNQYGX-WOJGMQOQSA-N 484.486 3.392 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(Br)cc1OCc1ccccc1F 408915586 YFRYVZQMNMHLBK-NTUHNPAUSA-N 479.327 3.432 10 40 JGCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)c(OC)c1 409097497 GUQDRKQMRKVICY-LDADJPATSA-N 469.563 3.390 10 40 JGCB CN1CCN(c2ccc(/C=C3/SC(=S)N(c4cccc(C(=O)O)c4)C3=O)cc2[N+](=O)[O-])CC1 409106998 POOSXLRQUPBIFQ-XDHOZWIPSA-N 484.559 3.451 10 40 JGCB COc1ccccc1N1C(=O)C(=CNN2CCCCC2)C(=O)N(c2ccccc2OC)C1=S 1248627 JOQNICQPUVJAJE-UHFFFAOYSA-N 466.563 3.243 10 40 JGCB Cc1c(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)c(=O)n(-c2ccccc2)n1C 8820274 JPZOWTVLRUIEEE-GHRIWEEISA-N 468.560 3.307 10 40 JGCB Cc1cc(NC(=O)CSCC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)no1 9283619 SSBKIUCYNMPQPC-UHFFFAOYSA-N 499.545 3.260 10 40 JGCB Cc1ccccc1-n1nnnc1SCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 12606272 SEZJTEOPBIRQFO-OAQYLSRUSA-N 466.611 3.337 10 40 JGCB COc1ccc(N2CCN([C@H](c3ccccc3)c3nnnn3Cc3ccc4c(c3)OCO4)CC2)cc1 13505184 YBJCXMDHTZUGJN-AREMUKBSSA-N 484.560 3.370 10 40 JGCB CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccco4)cc3)C(=N)N21 15936880 JDTFMHKECIOAJK-QNPDVEALSA-N 486.531 3.146 10 40 JGCB Cc1cc(C(=O)CSc2ccc3c(c2)OCCO3)c(C)n1-c1ccc(S(N)(=O)=O)cc1 21463522 BUMRTIHGFVNYSH-UHFFFAOYSA-N 458.561 3.488 10 40 JGCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1cccc(Cl)c1 408801785 BQDGEDWXEUWWCB-UHFFFAOYSA-N 465.687 3.440 10 40 JGCB C[C@H](Oc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1)c1ccccc1 20205662 DQNBUWKZKDOUHW-GEICVXQGSA-N 454.533 3.448 10 40 JGCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/Nc1cc2nc(O)[nH]c2cc1N1CCCCC1 408531892 OXZQSADMIOUEOO-OUKQBFOZSA-N 480.912 3.491 10 40 JGCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)OC 408983127 KTXIPRRTLDADHW-SXGWCWSVSA-N 472.881 3.265 10 40 JGCB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccc2)cc1 10113362 MQEWLONTKRQNKG-UHFFFAOYSA-N 495.601 3.044 10 40 JGCB COc1ccc(OCCOc2ccc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2OC)cc1 13689541 AXLIZOVJWVXRME-STZFKDTASA-N 492.484 3.417 10 40 JGCB COc1ccc2ccc(O)c(CN3CCN(S(=O)(=O)c4ccc5c(c4)OCCCO5)CC3)c2c1 23967974 MJUJDDKLYMWZDD-UHFFFAOYSA-N 484.574 3.222 10 40 JGCB Cc1c(N/C=C2/C(=O)N=C(S)N(c3cccc(Cl)c3)C2=O)c(=O)n(-c2ccccc2)n1C 103094795 UFZBZMALRDCMAT-ATVHPVEESA-N 467.938 3.293 10 40 JGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N3CCCC3)C2=O)c(C)c1 408538747 QCXUANXIPYWQIM-NTCAYCPXSA-N 460.494 3.064 10 40 JGCB COC(=O)c1cccc2c1N[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@H]1CC=C[C@@H]21 408864641 XTEIRJCODCQWGJ-DXIQSLLYSA-N 454.548 3.321 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OC)c(OC)c3)C(=O)NC2=S)c(OC)c1 409075158 PBLZFBWJDBWZFM-NTUHNPAUSA-N 462.911 3.206 10 40 JGCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N[C@H](CO)Cc2ccccc2)C1=O 10232944 OWXPKHGGQFIONK-HJHGFDQJSA-N 456.589 3.006 10 40 JGCB O=C1NC(=S)N(Cc2ccccc2)C(=O)/C1=C\NCCC1CCN(Cc2ccccc2)CC1 20624045 CLLLLCBRYBZGFY-QJOMJCCJSA-N 462.619 3.206 10 40 JGCB Cc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1 41077776 XUACOGOEIPQEMQ-FBIWUZAXSA-N 498.586 3.464 10 40 JGCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C)cc4)cc3)C(=O)N=C2S1 41084085 AHXQTVMMFDNZIP-FBIWUZAXSA-N 498.586 3.464 10 40 JGCB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 8801549 OAVJOPKECKZLMU-XMMPIXPASA-N 456.612 3.143 10 40 JGCB COc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(Br)ccc3OCC(=O)O)C2=O)cc1 33449127 QXVKCSAOYFBFKT-DHDCSXOGSA-N 475.251 3.428 10 40 JGCB CCOC(=O)c1cccc(-c2ccc(/C=C3/C(=N)N4N=C(S(=O)(=O)CC)SC4=NC3=O)o2)c1 41083875 MFONSRVIFADYFE-OTLVRQKTSA-N 486.531 3.135 10 40 JGCB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\c1c(O)[nH]c(=O)n(-c2cccc(C)c2)c1=O 100947790 HOZDBOWDQWEKSQ-BOPFTXTBSA-N 495.333 3.417 10 40 JGCB CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225414236 GMPQFXSOPINFIO-NRFANRHFSA-N 462.572 3.302 10 40 JGCB CC1(C)OC(=O)C(=CSCCCCCCSC=C2C(=O)OC(C)(C)OC2=O)C(=O)O1 3850953 HXPHXTLRQFGROF-UHFFFAOYSA-N 458.554 3.453 10 40 JGCB biogenic Cc1cc(C(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)c(C)n1-c1ccc2c(c1)OCO2 9726463 XWTRTTDFFLTYPF-OAHLLOKOSA-N 489.575 3.158 10 40 JGCB CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 13007922 QWZHBXHNLISUAY-XMMPIXPASA-N 450.583 3.360 10 40 JGCB Cc1c(N/C=C2\C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)c(=O)n(-c2ccccc2)n1C 13810300 AFRIBMYPQGFHGI-XSFVSMFZSA-N 459.506 3.187 10 40 JGCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)c1 108143464 XGPVTVABUFVJSZ-RGVLZGJSSA-N 461.474 3.444 10 40 JGCB O=C(C[C@@H](c1ccc2ncccc2c1)c1c(O)n2ccccc2nc1=O)NCCc1ccc(O)c(O)c1 230462022 NJBSVOSHCZKKOH-FQEVSTJZSA-N 496.523 3.240 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(=O)O 409046405 KLVHTRARVVPULM-WLRTZDKTSA-N 479.272 3.440 10 40 JGCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(I)o3)C(=O)NC2=S)cc1 6508380 CXPWRYXRAKEOBW-LCYFTJDESA-N 468.272 3.114 10 40 JGCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1nnc(-c2ccccc2)o1 9958969 MZKWZTNESVQOIQ-UHFFFAOYSA-N 453.410 3.308 10 40 JGCB COc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc(Br)c(C)c3)CC2)cc1 12536693 FQBOYWVVSVARAQ-UHFFFAOYSA-N 482.444 3.257 10 40 JGCB CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1ccc(CC)cc1 57478459 GXJXDVNBASNHFK-VWLOTQADSA-N 478.593 3.251 10 40 JGCB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\NNc2ccccc2OC)C1=O 408533071 OAOAJBXCVSPOCH-SDNWHVSQSA-N 459.300 3.104 10 40 JGCB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 408794727 BJGJWFQFDACVRV-OQLLNIDSSA-N 460.240 3.422 10 40 JGCB O=C(COc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1)N1CCOCC1 409352741 YKKLXIFTUBNBPU-UNOMPAQXSA-N 485.543 3.238 10 40 JGCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)cc1 20608654 NWXFRAPXBQHRPB-LHBRDVBXSA-N 461.587 3.254 10 40 JGCB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 32820390 BXLMKWXSRWCLLC-ACCUITESSA-N 450.564 3.342 10 40 JGCB CC(C)OC(=O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] 35203049 CBZKTJYHDYXWNH-SXGWCWSVSA-N 459.842 3.040 10 40 JGCB O=C1[C@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 18249919 GJYYRYPGPPBBPP-HKBOAZHASA-N 486.411 3.429 10 40 JGCB COc1ccc(CCN2C(=O)/C(=C/N3CCN(CCc4ccccn4)CC3)SC2=S)cc1OC 30819319 ZGRFAZSXAIMTTR-NKFKGCMQSA-N 498.674 3.203 10 40 JGCB O=C(O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1Cl 59248682 ONMVHFAUIFXUBN-NTUHNPAUSA-N 495.738 3.397 10 40 JGCB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCC(=O)Nc2cccc(F)c2)c1 108120727 UKBAZLYUAUWLLG-XKZIYDEJSA-N 474.492 3.371 10 40 JGCB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408654222 AVGVTKMEYJSZAS-SVFBPWRDSA-N 496.947 3.393 10 40 JGCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(Br)c3)C2=O)cc1 408806439 NDAJJRIXUJNHJV-XNTDXEJSSA-N 473.279 3.301 10 40 JGCB Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2)cc1 409226544 UQJHQNHKWVXOTL-HYARGMPZSA-N 471.469 3.385 10 40 JGCB COc1ccc(N2CCN([C@@H](c3ccc(OC)c(OC)c3)c3nnnn3C(C)(C)C)CC2)cc1 13504036 FYVDLLSRYFCWFK-QHCPKHFHSA-N 466.586 3.366 10 40 JGCB Cc1cc(C)c2c(=O)cc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)oc2c1 21658733 REMZGJMNSCQUMI-HXUWFJFHSA-N 468.575 3.305 10 40 JGCB Cc1cccc(-n2c(C)cc(C(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)c2C)c1 26041486 BDBOWZSSFPGQNZ-UHFFFAOYSA-N 467.591 3.353 10 40 JGCB COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OC)C2=O)c1 59417340 UMTREGARSHQSJV-NTEUORMPSA-N 461.268 3.141 10 40 JGCB COc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(OC)c1 100716714 BNLUUXSORDROHV-RJGXRXQPSA-N 483.476 3.399 10 40 JGCB CCOC(=O)[C@H](C)Oc1cc(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 108978112 JITCKWLORBRUEP-ATTDUZETSA-N 489.322 3.250 10 40 JGCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCN(C)CC1 408533887 PLRMPSDVAFOYBY-LGMDPLHJSA-N 465.945 3.392 10 40 JGCB COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)N1CCOCC1 409218129 YUCBEIXBOVZRCB-KGENOOAVSA-N 484.599 3.334 10 40 JGCB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NCCN1C(=O)CSC1=S 9507783 DSSUBSVTNPNEMF-UHFFFAOYSA-N 467.601 3.104 10 40 JGCB COc1ccc(N2CCN(C(=O)CCCN(c3ccc(OC)c(Cl)c3)S(C)(=O)=O)CC2)cc1 13681258 IWMODKORGREMET-UHFFFAOYSA-N 496.029 3.252 10 40 JGCB COc1ccc(/C=C2/SC(N3CCN(c4ccccc4[N+](=O)[O-])CC3)=NC2=O)cc1OC 15401552 NCFBLHYIJXVFSD-XSFVSMFZSA-N 454.508 3.405 10 40 JGCB CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4ccc(OC)cc4)c(=O)n32)cc1 28296203 FOTWPPKKRIDJSP-KZVLXBEFSA-N 491.613 3.263 10 40 JGCB CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br 1199247 BAXRXKXIKZADQF-DHDCSXOGSA-N 491.269 3.197 10 40 JGCB Cc1cc(C(=O)COC(=O)CCc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1 21481869 FNCDKWYGMFFMDQ-UHFFFAOYSA-N 458.511 3.239 10 40 JGCB O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCN(CCc2ccccn2)CC1 19901982 QZABIYUQBLMUBI-KNTRCKAVSA-N 472.661 3.121 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CC(=O)OCC(=O)N(C)Cc3ccccc3)C2=O)cc1 33716885 CKGZFKFFLXFFNX-XDHOZWIPSA-N 470.572 3.098 10 40 JGCB CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c1C 41077697 VFQGEVLGVOKPOX-HLLBZCHMSA-N 455.565 3.278 10 40 JGCB CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1ccccc1OCC 67689732 AYSGXYVYBVWBJR-RUZDIDTESA-N 494.592 3.087 10 40 JGCB COc1ccc(N2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 107717277 RHOMLYVTJWIHSB-UHFFFAOYSA-N 455.471 3.074 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccccc1 409057208 JDRZLDTURQHMDF-INOOMSPWSA-N 473.598 3.399 10 40 JGCB Cc1cc(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 9424125 QBWIFVQZFLCLFF-LJQANCHMSA-N 450.988 3.309 10 40 JGCB COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)Nc3cccc(Cl)c3)CC2)cc1 22698827 FRFCTPIJOWSIIK-UHFFFAOYSA-N 496.995 3.480 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408912696 RPHDWGZFVQCWMY-OVCLIPMQSA-N 474.922 3.272 10 40 JGCB COc1ccccc1NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c1 409377639 JOBVCISPLBIHEO-HKWRFOASSA-N 471.469 3.379 10 40 JGCB COC(=O)[C@@H](NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21)C(C)C 1565524931 YIPFWLGDWCIAQE-ZCYQVOJMSA-N 474.561 3.102 10 40 JGCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSc2nnc(-c3ccco3)n2C)cc1 12640618 KQGJKKRCDZUSDY-IBGZPJMESA-N 455.584 3.441 10 40 JGCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 13785975 WYDMHAZERTVJST-FXBPSFAMSA-N 495.626 3.413 10 40 JGCB COc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1OC(=O)c1cccs1 16156546 FTNTUTIIDNFALQ-PDGQHHTCSA-N 497.554 3.429 10 40 JGCB COc1ccc(N2CCN(CN3C(=O)N[C@](C)(c4cccc(Br)c4)C3=O)CC2)cc1 23844369 KDNOLMIAYWOGRN-JOCHJYFZSA-N 473.371 3.004 10 40 JGCB CN1C(=O)[C@]2(c3ccccc31)N(C)C[C@H](c1ccccn1)[C@]21SC(=S)N(Cc2ccco2)C1=O 36384082 BTTANWUSMTYSJK-AYCKEJKLSA-N 490.610 3.375 10 40 JGCB COc1ccccc1N1C(=O)NC(=O)/C(=C/c2c(C)c3cc4c5c(c3oc2=O)CCCN5CCC4)C1=O 2104886 PYGRYQAIXOFDBB-ZHZULCJRSA-N 499.523 3.475 10 40 JGCB biogenic COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 9668959 ZWVKUSXDVUZRLC-VWLOTQADSA-N 479.602 3.350 10 40 JGCB CCCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2ccsc2c1=O 57425285 VPXOGEMWCCHGEP-UHFFFAOYSA-N 458.609 3.318 10 40 JGCB COC(=O)COc1c(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cccc1OC 408535767 WIWFRGNZBCXUAZ-CAOOACKPSA-N 459.501 3.382 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccc(Br)cc1 408865568 CXFJGIOOKIDOMM-UHFFFAOYSA-N 461.337 3.341 10 40 JGCB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)CC2)cc1 409227798 RCLFIIZNKRIRTL-GOSISDBHSA-N 478.014 3.098 10 40 JGCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409259569 AUEMSRHIAOBOTM-UHFFFAOYSA-N 478.288 3.077 10 40 JGCB Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(I)o3)C(=O)NC2=S)c1 6768160 CHTNSHZXFIWSQO-JYRVWZFOSA-N 452.273 3.332 10 40 JGCB CCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S 2368094 ZPBNTSSXNLZPBN-CYVLTUHYSA-N 495.605 3.381 10 40 JGCB CCC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)SC1=S)C(=O)O 8870153 RWCWZUNWASYZSS-RFRKOGIWSA-N 466.581 3.055 10 40 JGCB COc1ccc(N2CCN(C(=S)NC(=O)c3cccc(OCC(C)C)c3)CC2)c([N+](=O)[O-])c1 14269029 BXGMDLSYLPCYEQ-UHFFFAOYSA-N 472.567 3.475 10 40 JGCB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)[C@](Cc1c[nH]c3ccccc13)(C(=O)O)N[C@H]2c1ccccc1O 102782523 WQBAYKGKHMVHQK-NLJXWPIHSA-N 481.508 3.390 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3Cl)C(=O)NC2=S)c(OC)c1 409069562 VYJBETPFBLSNKE-NTUHNPAUSA-N 462.911 3.206 10 40 JGCB COc1ccc(N2CCN(C(=O)Cn3cnc4sc(-c5ccccc5)cc4c3=O)CC2)cc1 9463974 WFHZQVVIZDJXDS-UHFFFAOYSA-N 460.559 3.482 10 40 JGCB COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(C)c(F)c2)c1C 10247031 ULXXZMXFHOWFIN-UHFFFAOYSA-N 474.510 3.237 10 40 JGCB COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3c(O)ccc4ccc(OC)cc34)CC2)c1 14250522 YWCMPBNUHWFPSD-UHFFFAOYSA-N 472.563 3.078 10 40 JGCB CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(N(C)C)c(Br)c3)C(=O)N=C2S1 34145457 BBYFGDVMGJNMMF-AYYHGXMZSA-N 498.428 3.163 10 40 JGCB CN1C(=O)[C@]2(c3ccccc31)N(C)C[C@@H](c1ccccn1)[C@]21SC(=S)N(Cc2ccco2)C1=O 102769736 BTTANWUSMTYSJK-RIEVBORMSA-N 490.610 3.375 10 40 JGCB COCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccco2)C1=O 2354109 MPYGNNPTRJPURN-YBEGLDIGSA-N 456.549 3.056 10 40 JGCB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccc(N2CCOCC2)cc1 10113440 ZJBUDFDWYPZBDU-UHFFFAOYSA-N 471.623 3.182 10 40 JGCB CCN1/C(=c2/s/c(=C3/C(=O)N(c4ccc(Cl)cc4)N=C3C)n(C)c2=O)Sc2ccccc21 102154680 KQEUBXMZNFTMHV-YLRGQORSSA-N 483.018 3.372 10 40 JGCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)cc1 409394217 XHVHLTYRVYQCCQ-KGENOOAVSA-N 458.474 3.332 10 40 JGCB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1OC 8801561 KJIHZCRVWCEARQ-QFIPXVFZSA-N 459.612 3.202 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(I)c1O 409230136 BVDPULHHPVRJSO-KPKJPENVSA-N 494.310 3.145 10 40 JGCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(SC)c(C(=O)N4CCCC4)c3)CC2)cc1 26114854 ROLNSUUEFIESMN-UHFFFAOYSA-N 475.636 3.164 10 40 JGCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C(=O)NC1=S 409168325 QFJDRESOTDERCM-CPNJWEJPSA-N 474.542 3.033 10 40 JGCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)c(F)c2)C1=O 409223339 FHXYAFALSRJAQC-XMHGGMMESA-N 452.486 3.356 10 40 JGCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N[C@@H](CO)Cc3ccccc3)C2=O)cc1 10232929 LPKOVSBZYMACCU-CBAAQYGVSA-N 470.616 3.396 10 40 JGCB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 20479274 ZTJZKQXALGIUSZ-CKNGIZQFSA-N 468.469 3.073 10 40 JGCB COc1ccc(N2CCN([C@H](C(=O)O)c3cn(CCC(=O)O)c4ccc(OC)cc34)CC2)cc1 36365686 DOCQXCAUFWHTFK-DEOSSOPVSA-N 467.522 3.081 10 40 JGCB O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 98087066 XTOQDSKVRKARBE-OAQYLSRUSA-N 492.041 3.035 10 40 JGCB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1/C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 100149927 LHBFCERPQKIWCE-FDIDWWNZSA-N 483.347 3.162 10 40 JGCB Cc1cccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1C 408671332 ZDLBOMQJKOGIBK-FUPPJEDESA-N 460.530 3.348 10 40 JGCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)OC(C)C)cc3)C2=O)c1 409187145 MSARHUGKWLDHNN-UDWIEESQSA-N 452.463 3.082 10 40 JGCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CC(=O)O)C(=O)O)C3=O)o2)cc1[N+](=O)[O-] 9884774 VGHNWSDUVHFRBQ-BKNIFWKGSA-N 462.461 3.292 10 40 JGCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 10232826 DNFQJBLELQWDQU-MLJKTZRHSA-N 462.461 3.374 10 40 JGCB COc1ccc(N2CCN([C@@H](c3cc4cccc(C)c4[nH]c3=O)c3nnnn3C(C)(C)C)CC2)cc1 19973074 BMPJNLDNTVOBIO-DEOSSOPVSA-N 487.608 3.498 10 40 JGCB COc1ccc(N2CCN([C@@H](c3cc4cc(C)ccc4[nH]c3=O)c3nnnn3C(C)(C)C)CC2)cc1 19220749 RTNOSFNHARFLDJ-DEOSSOPVSA-N 487.608 3.498 10 40 JGCB Cc1ccc(COc2ccc(/C=C3/C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)cc2)cc1 41084506 SASVVCWQCACHCL-OEMPCWLZSA-N 461.547 3.483 10 40 JGCB COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(OC)c(C)c3)c3ccco3)CC2)cc1 56946376 YCCNJLWTXXKLQC-QHCPKHFHSA-N 485.606 3.447 10 40 JGCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)SC1=S 61899317 CSOHAXDLWXFPFP-MCWHYASNSA-N 456.885 3.237 10 40 JGCB COc1cccc(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1OC 95927144 YBPMCHHSFFZSHI-WQRHYEAKSA-N 472.544 3.064 10 40 JGCB COC(=O)C[C@@H](c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12)c1cnn2cccnc12 96222834 UHUGRFHMIFGNBV-CQSZACIVSA-N 473.441 3.315 10 40 JGCB biogenic CCOC(=O)c1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/c4cccs4)SC3=S)C2=O)cc1 101113370 BTKKWGUHRLDKCV-HEUOVEHFSA-N 472.569 3.458 10 40 JGCB COc1ccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)NCc4ccccc4)cc3)CC2)cc1 666089 UVSBQAHCRHXQLX-UHFFFAOYSA-N 493.629 3.455 10 40 JGCB COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)OC(C)C 35362353 DRPSGCUSPZUTNS-YVLHZVERSA-N 489.322 3.250 10 40 JGCB CN1C(=O)[C@]2(c3ccccc31)N(C)C[C@H](c1ccccn1)[C@@]21SC(=S)N(Cc2ccco2)C1=O 35851647 BTTANWUSMTYSJK-YWWLGCSWSA-N 490.610 3.375 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc(Br)c1OC(C)C 409238887 OFAMVOFKBQFQGY-VGOFMYFVSA-N 460.284 3.306 10 40 JGCB COc1ccc(N2CCN(C(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 409410846 RCVXXVWFLNJFMI-UHFFFAOYSA-N 483.565 3.378 10 40 JGCB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1OC 8799008 GDQUWAJNZBDLHI-JOCHJYFZSA-N 459.612 3.202 10 40 JGCB COc1ccc(N2CCN([C@@H](c3cc(OC)ccc3OC)c3nnnn3Cc3ccco3)CC2)cc1 19556409 KIIUABFUEQEGKK-VWLOTQADSA-N 490.564 3.252 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(C(=O)O)cc1 108211097 WJLKIJJXTBRBLZ-ODLFYWEKSA-N 489.440 3.342 10 40 JGCB Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C 223148991 MNDWYHNRPNWLEF-ZEQRLZLVSA-N 476.650 3.497 10 40 JGCB COc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(=O)c4ccco4)c(OC)c3)C2=O)c1 408535575 OEFYPPVDKMLFDN-GZTJUZNOSA-N 462.414 3.182 10 40 JGCB CCc1cccc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cn(CC(=O)N3CCOCC3)c12 409135669 RQPOXEFLERDCSH-UOIFGXKSSA-N 499.658 3.443 10 40 JGCB COc1cc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc(I)c1O 9763408 NGOPJBFUHXSLQR-LFYBBSHMSA-N 470.650 3.120 10 40 JGCB O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-])Nc1cccc(F)c1 33720948 KLYIXPUSSWDLTE-UNOMPAQXSA-N 476.420 3.213 10 40 JGCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O)N1CCc2ccccc2C1 409365312 XVBZAZZVKMRJBE-PXLXIMEGSA-N 463.559 3.144 10 40 JGCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2277661 AAYFBVCMIGADEC-GRRFOWRYSA-N 462.461 3.374 10 40 JGCB CN1CCCc2cc([C@H](CNS(=O)(=O)c3ccccc3Cl)N3CCOCC3)ccc21 22735481 DEUWMZBKDAOVOB-NRFANRHFSA-N 450.004 3.074 10 40 JGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1I 408905180 USWWMEABDKYWSF-FMIVXFBMSA-N 480.233 3.495 10 40 JGCB COC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c2ccccc21 409247415 CAVCYKQRTLTCBX-MHWRWJLKSA-N 451.866 3.443 10 40 JGCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(N4CCOCC4)cc3)SC2=S)cc1 409329976 JHEVBGDBQBVAAN-XMHGGMMESA-N 455.561 3.078 10 40 JGCB Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)c1 20206391 YHGYQKMTFYXUMS-GLNJVZSPSA-N 455.565 3.332 10 40 JGCB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCc2ccc(C(=O)O)cc2)c1 107709632 ZHQJQDIIGMFVAV-HMAPJEAMSA-N 457.486 3.491 10 40 JGCB O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N(CCO)Cc1ccccc1 2389049 YXUPRPAYKPQGPD-MOSHPQCFSA-N 470.572 3.028 10 40 JGCB O=C(/C=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1cccc(-c2nn3cnnc3s2)c1 21124783 HSCBFULINRCCGN-FNORWQNLSA-N 477.506 3.250 10 40 JGCB O=C(NN1C(=O)/C(=C/c2ccc(SCCO)c([N+](=O)[O-])c2)SC1=S)c1cccs1 32125041 ODEWNGUUCWAJAF-ZROIWOOFSA-N 467.575 3.287 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C2=O)cc1 100744991 KBAAVNZHBLMOHL-YMLLVQOGSA-N 495.626 3.094 10 40 JGCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccn1 223130615 SSDRCTNRLSAWBV-RPWUZVMVSA-N 462.623 3.189 10 40 JGCB CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)cc2)C1=O 2348588 DENNJOQANNSOCY-LGMDPLHJSA-N 452.561 3.189 10 40 JGCB CCCC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S)C(=O)O 8870126 JQYBJZKKBASGCI-IQGJIOQQSA-N 466.581 3.055 10 40 JGCB CCCN(C(=O)COC(=O)c1cc(C)n(-c2cc(Cl)ccc2OC)c1C)[C@H]1CCS(=O)(=O)C1 11422191 PMVPWDKDSRGGNZ-SFHVURJKSA-N 497.013 3.339 10 40 JGCB CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccccc1 20205794 LRBJPTACUKKTHB-GJXXPDGXSA-N 484.559 3.286 10 40 JGCB COC(=O)[C@@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(OC)=C1c1ccc(O)c(O)c1 31162737 ABJOCPBDVGJFLG-VWLOTQADSA-N 454.475 3.381 10 40 JGCB biogenic,in-vitro Cc1cc(C)cc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 408658797 IWZPUAWQTUINMS-ZLNRFVROSA-N 460.530 3.348 10 40 JGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4nnnn4-c4ccccc4)o3)C2=O)cc1 408989831 JAXXCAKFPSRPAP-QGOAFFKASA-N 472.486 3.381 10 40 JGCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2C)C1=O 409094543 DQTHUQZITKOWHR-UNOMPAQXSA-N 464.522 3.144 10 40 JGCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 409237683 KWNPNRTUJGHDDA-PDGQHHTCSA-N 461.430 3.185 10 40 JGCB CC(C)CCNC(=O)CCCN(C)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 10383344 OCPNFINPJBDBMG-UHFFFAOYSA-N 456.564 3.025 10 40 JGCB O=C(C[C@H](c1ccc(Cl)cc1)c1c(O)nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 96231696 OLGALTVWARGNHX-GOSISDBHSA-N 479.920 3.346 10 40 JGCB COc1ccc(N2CCN(C3=N[C@@H](c4ccc(Cl)cc4)n4c(nc(C)cc4=O)N3)CC2)cc1 8993662 AXPFDQTWMINAEL-JOCHJYFZSA-N 464.957 3.364 10 40 JGCB Cc1cc(C(=O)COC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 29945435 WBZXYYITJYOCNL-YADHBBJMSA-N 470.522 3.410 10 40 JGCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)c(O)c(Br)c1 409046173 JGGYTTSVMIKGLU-VZUCSPMQSA-N 482.084 3.289 10 40 JGCB COCCN1C(=O)/C(=C/c2cn(CC(=O)OC)c3ccc(Br)cc23)SC1=S 409133198 MXIPBXLCMOICGI-CHHVJCJISA-N 469.382 3.424 10 40 JGCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OC 409403692 APERORVQWDZONQ-ZROIWOOFSA-N 464.259 3.160 10 40 JGCB CCCCN1C(=O)[C@H]2[C@@H](c3cc(Br)ccc3O)N[C@@](CC(C)C)(C(=O)O)[C@@H]2C1=O 4127152 GSEQTUNUCZMITJ-KYFSNAEOSA-N 467.360 3.070 10 40 JGCB O=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1 4804130 VWPHLICFDUSGFJ-ISLYRVAYSA-N 453.410 3.362 10 40 JGCB COc1ccc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)cc1 9379108 GRPVQTQVJKFMOO-SANMLTNESA-N 475.501 3.481 10 40 JGCB CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 100421031 NGTFSTOWJQOHNB-IMIIHFCZSA-N 467.541 3.444 10 40 JGCB COCCN1C(=O)/C(=C\NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)C(=O)NC1=S 102908529 VZCIRQHGKUHDTA-MCRQTXEHSA-N 482.993 3.316 10 40 JGCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 409103246 VNHMUCSBTBXLQD-LDADJPATSA-N 472.364 3.117 10 40 JGCB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)cc1 409152663 FXXWDGVCJOXLLG-MOSHPQCFSA-N 498.517 3.115 10 40 JGCB CCOc1cccc([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c1O 102999853 OJTGKXVLSPYBII-LMMUWCHVSA-N 466.534 3.106 10 40 JGCB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)/C1=C\c1ccccc1OC(=O)c1ccc2c(c1)OCO2 408537640 WLDOXFKBJRJVPM-KPXDPEICSA-N 474.469 3.285 10 40 JGCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(=O)O 409335192 ZIBASOABXZMYCX-OQLLNIDSSA-N 464.546 3.156 10 40 JGCB Cc1c(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)c(=O)n(-c2ccccc2)n1C 8659801 WXJOTUYESHTANR-UHFFFAOYSA-N 473.510 3.061 10 40 JGCB Cc1cc(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)n1-c1ccc2c(c1)OCO2 9644665 VTJYNOQLCKMWOU-UHFFFAOYSA-N 498.557 3.105 10 40 JGCB COc1ccc([C@@H](c2sc3ncnn3c2O)N2CCN(c3ccc(OC)cc3)CC2)cc1 22609487 XDXUJFZVYJOWQU-FQEVSTJZSA-N 451.552 3.425 10 40 JGCB COc1ccc(N2CCN(C(=O)CCSc3nnnn3-c3ccc(C)c(C)c3)CC2)cc1 26050150 UUFVFEUNZRPAPF-UHFFFAOYSA-N 452.584 3.119 10 40 JGCB Cc1cccc(OCC2=NN3C(=N)/C(=C/c4ccc(OS(C)(=O)=O)cc4)C(=O)N=C3S2)c1 33457760 NGKGPPUUYQLIOB-ZJNHSXOMSA-N 470.532 3.032 10 40 JGCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 408584284 NUKNCYYPKDHZPJ-ATVHPVEESA-N 454.435 3.498 10 40 JGCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)cc1 408956792 YMACEEFSQAFAJZ-RGVLZGJSSA-N 459.458 3.498 10 40 JGCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc([N+](=O)[O-])c1O 409348426 SPLLLIFGARBFSN-YBEGLDIGSA-N 475.504 3.254 10 40 JGCB COc1ccc(N2CCN(C(=O)CCCNC(=O)N3CCc4c([nH]c5ccccc45)C3)CC2)cc1 20728269 CZWYYQHQSJVGGZ-UHFFFAOYSA-N 475.593 3.373 10 40 JGCB biogenic C/C(NCCCN1CCOCC1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100580779 YRYACSYHFANNIB-SSZFMOIBSA-N 453.490 3.147 10 40 JGCB CCCCCCn1c(SCC(=O)NCCN2C(=O)CSC2=S)nc2ccccc2c1=O 9545937 UBNWAWHECXNDOX-UHFFFAOYSA-N 478.665 3.045 10 40 JGCB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1cccc2c1C(=O)c1ccccc1C2=O 9964020 SBOIYQVLYJIHQA-UHFFFAOYSA-N 452.422 3.099 10 40 JGCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSc2nnnn2-c2cccc(F)c2)cc1 12640154 UWDNMJFJHNLJBO-OAQYLSRUSA-N 470.574 3.167 10 40 JGCB CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCCC1 13008108 RKCGXWWCMTXFCX-QHCPKHFHSA-N 450.583 3.360 10 40 JGCB COc1ccc(-c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)no2)cc1 21786563 MVPLXFWBQWTPBU-HXUWFJFHSA-N 469.563 3.246 10 40 JGCB COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)N1CCOCC1 23215498 TUMCWWBKLAKMFZ-MOSHPQCFSA-N 488.562 3.478 10 40 JGCB COc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)cc1OC 100414953 SAYDYYCTSDEPKJ-RJGXRXQPSA-N 483.476 3.399 10 40 JGCB COc1ccc(/C=c2\s/c(=C3\C(=O)N(c4ccccc4)N=C3C)n(-c3ccccc3)c2=O)cc1 101273336 RPLNAKQVONVDGZ-AAGMUVDVSA-N 467.550 3.310 10 40 JGCB COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)CC2)cc1 9662324 JQSHXWBNKDLOCQ-UHFFFAOYSA-N 479.602 3.235 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)CNC(=O)c3ccc(OC)cc3)c2C)cc1 11429136 DXRKCMFYWSVOMN-UHFFFAOYSA-N 478.501 3.045 10 40 JGCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCOCC3)C2=O)cc1 8820100 DUGMFADYXLIJLT-SDXDJHTJSA-N 462.593 3.094 10 40 JGCB CCC(=O)NCCc1c(/C=C2/C(=O)NC(=S)N(c3ccccc3OC)C2=O)[nH]c2ccccc12 12861200 FIVBXYXCARQNKW-VKAVYKQESA-N 476.558 3.077 10 40 JGCB biogenic Cc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 13424024 BBCLLYKGHLZXDZ-VXPUYCOJSA-N 481.555 3.026 10 40 JGCB CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 225503615 QZVUYSMCGWRORM-UHFFFAOYSA-N 459.612 3.259 10 40 JGCB COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(OC)c1 408903058 OPNBQBYVCWXECD-XNTDXEJSSA-N 461.268 3.141 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(I)c1OC 14132658 SPJMCQYRCGAPAP-MDWZMJQESA-N 492.269 3.283 10 40 JGCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1ccccc1F 59536355 RZHPAFWIJNGTDV-UHFFFAOYSA-N 465.300 3.090 10 40 JGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCCCC1 408526286 AQQSBFURJHJKQB-QINSGFPZSA-N 480.912 3.491 10 40 JGCB Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9468922 WQXXOCBFPMBMCK-UHFFFAOYSA-N 459.597 3.034 10 40 JGCB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCc1ccc(N2CCOCC2)cc1 10113446 ABCUWDVPCGFSTH-UHFFFAOYSA-N 465.575 3.282 10 40 JGCB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 13672561 HRFGPQLQKVUQKI-UHFFFAOYSA-N 451.548 3.254 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(N4CCOCC4)nc3)c2C)cc1 21590718 LNSRSAZJYWVGLR-UHFFFAOYSA-N 477.517 3.152 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N(C)CC(=O)c3ccc(O)c(O)c3)C2=O)cc1 28297014 SYOMLFMANBAABJ-RGVLZGJSSA-N 486.571 3.039 10 40 JGCB Cc1cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccccc1F 41084349 BCHLMDHIQDTZOH-YZQMTWDLSA-N 452.515 3.142 10 40 JGCB CCOC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2CC(=O)OC)cc1 103919969 PEKVIHDZSSAPCP-STZFKDTASA-N 466.450 3.423 10 40 JGCB Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3/SC(=S)N(C)C3=O)c(=O)n2c1 2247482 NCHSQQACYSYAPK-CPNJWEJPSA-N 495.605 3.300 10 40 JGCB COc1cccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2ccco2)c1O 8774849 XRPSAYGMEILRAO-SFHVURJKSA-N 455.492 3.357 10 40 JGCB Cc1cc(O)c(Sc2ncn[nH]2)cc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 8871879 UYWAGIZFCPDSND-UHFFFAOYSA-N 453.505 3.490 10 40 JGCB COC(=O)C[C@@H](c1cccnc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96114273 ZSASZHWOEMYPMB-ZDUSSCGKSA-N 465.414 3.078 10 40 JGCB biogenic COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c([N+](=O)[O-])cc1OC 1203442 IEEQZQQLZAOYNC-MLPAPPSSSA-N 476.239 3.041 10 40 JGCB COCCCN1C(=O)/C(=C/c2c(N3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 2668457 UFNCOTAFRRUFMQ-VKAVYKQESA-N 458.609 3.231 10 40 JGCB O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 8870063 JONANUQZBVFRKY-HSNFWNHWSA-N 465.556 3.181 10 40 JGCB Cc1cc(C(=O)[C@@H](C)OC(=O)CCn2cnc3c(cnn3C)c2=O)c(C)n1-c1ccc(Cl)cc1 9116682 BWTNLBSOJPRSFR-MRXNPFEDSA-N 481.940 3.396 10 40 JGCB COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 408591601 JRHGZHBAJBBJPB-SANMLTNESA-N 493.629 3.242 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OC 408804691 GPKOTIQHCWNGAQ-VGOFMYFVSA-N 490.266 3.431 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)c2C)cc1 2664898 CFGROUDXPQXTAZ-NTKDMRAZSA-N 470.547 3.061 10 40 JGCB CCOC(=O)C(=Cc1ccc(N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1)C(=O)OCC 59488805 OQORHQHVGHIOCQ-UHFFFAOYSA-N 453.495 3.431 10 40 JGCB COc1ccccc1/C=C1/SC(=S)N(CCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C1=O 2121321 RVJXAJSAYXLVMK-GBJDKNRMSA-N 495.626 3.094 10 40 JGCB O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)NC(=O)NC1CCCCC1 9670444 KETKAWXNDJPYHK-UHFFFAOYSA-N 468.893 3.431 10 40 JGCB CCC(CC)C(=O)Nc1nnc(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)s1 12643352 FAEKWLPOAVEHCW-UHFFFAOYSA-N 463.629 3.362 10 40 JGCB COc1ccc(N2CCN([C@H](c3cc(OC)ccc3OC)c3nnnn3Cc3ccco3)CC2)cc1 19556412 KIIUABFUEQEGKK-RUZDIDTESA-N 490.564 3.252 10 40 JGCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1O[C@@H](C)C(=O)O 108949509 HWQJCYUMXZOTEO-ZENNRRHLSA-N 475.295 3.161 10 40 JGCB CSCC[C@@H](CO)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1565524457 IGBYCKURUBYFFJ-QYBDOPJKSA-N 492.645 3.409 10 40 JGCB CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccccc1 41077818 UNZPKVUIMPIHKI-GJXXPDGXSA-N 484.559 3.286 10 40 JGCB Cc1cccc(COc2ccc(/C=C3/C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)cc2)c1 41084518 VBGCUGRWAKNLPJ-OEMPCWLZSA-N 461.547 3.483 10 40 JGCB CC1=CSC2=NC(=O)/C(=C\c3ccc(OCc4cc(=O)n5nc(C)sc5n4)cc3)C(=N)N12 49690415 IBQPSDRNKLHWHL-WITUARJBSA-N 464.532 3.205 10 40 JGCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 59139539 IQULNBZRNMCWIO-UHFFFAOYSA-N 474.922 3.255 10 40 JGCB COc1cccc(N2C(=O)[C@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 100417669 VMKMGFPFYITLHQ-FSSWDIPSSA-N 453.450 3.390 10 40 JGCB COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)c2C)c1 223599255 QSMYFVMDEKDVOA-YADHBBJMSA-N 450.564 3.241 10 40 JGCB Cc1cc(C(=O)COC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)n1-c1ccccc1 2657582 RMKCJPYRDBJUJI-UHFFFAOYSA-N 475.457 3.415 10 40 JGCB CCN(CC)C(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c2ccccc21 12474798 FHMCUTLAPLXKED-QGOAFFKASA-N 462.481 3.315 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(OC)c1O 16576053 OUQWOMZFCLJOGG-TZCPFCGOSA-N 454.523 3.476 10 40 JGCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2cccs2)N2CCN(c3ccccc3)CC2)cc1 22999023 LBWSVHGQSHYRTG-RUZDIDTESA-N 491.661 3.110 10 40 JGCB COc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1OC(=O)c1ccccc1 96193338 OJURDSUPAZFHHY-STZFKDTASA-N 491.525 3.368 10 40 JGCB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2F)C1=O 409243588 SZJIHDDXYSBCKY-NDENLUEZSA-N 471.510 3.346 10 40 JGCB COc1ccc(N([C@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1Cl 13673300 SNFPDSAGJUUTAY-MRXNPFEDSA-N 466.003 3.420 10 40 JGCB CCc1cc(=O)n(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(-c2cccc(Cl)c2)n1 57527761 HGBBJCRCFDLTHU-UHFFFAOYSA-N 466.969 3.484 10 40 JGCB COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 245229818 GNHJRZZAACCNPM-FLSMRUOLSA-N 487.531 3.410 10 40 JGCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C 408530527 JBRZMKBSQKWPJA-JXAWBTAJSA-N 480.956 3.086 10 40 JGCB Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(I)c3)C(=O)NC2=S)cc1C 408964262 QGSSUWGYRUICFO-RIYZIHGNSA-N 478.311 3.445 10 40 JGCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)c1 409393008 OPSILORSNMLISH-UDWIEESQSA-N 458.474 3.251 10 40 JGCB Cn1c(=O)cc2c3c(c(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)ccc31)C(=O)c1ccccc1-2 8833763 AEGAIUVFTGJEKY-UHFFFAOYSA-N 461.455 3.459 10 40 JGCB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)N3CCCCC3)ccc21 9138194 LQUUFWGTMSNVCE-QHCPKHFHSA-N 478.593 3.122 10 40 JGCB CCOc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 408664886 PPWIDYGJXCVZTJ-VABKMULXSA-N 476.529 3.130 10 40 JGCB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 408891769 VDEJLOXQCBTVQQ-XSFVSMFZSA-N 478.482 3.135 10 40 JGCB Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)c2C)cc1 4057913 UQVQEZWIVRRPDG-NRFANRHFSA-N 460.596 3.231 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1F 33562184 LXDZEFKHAOSTRI-AQTBWJFISA-N 461.449 3.313 10 40 JGCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)O)cc2)C1=O 409191195 DDPZLGLRCQYZEN-CPNJWEJPSA-N 465.531 3.215 10 40 JGCB O=c1c(Oc2ccccc2Br)coc2c(CN3CCN(CCO)CC3)c(O)ccc12 20358378 VITYHRVVKKGWNT-UHFFFAOYSA-N 475.339 3.163 10 40 JGCB COCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 26531840 OUGQPSJGAFKNAQ-UCHUYYQMSA-N 472.636 3.415 10 40 JGCB COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(OC)c(C)c3)c3ccco3)CC2)cc1 56946378 YCCNJLWTXXKLQC-HSZRJFAPSA-N 485.606 3.447 10 40 JGCB Cn1c(Sc2ccc(C=C3C(=O)OC(C)(C)OC3=O)cc2[N+](=O)[O-])nc2ccccc2c1=O 59488556 IDRPVPGROHOKOI-UHFFFAOYSA-N 467.459 3.212 10 40 JGCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1F)OC21C(=O)c2ccccc2C1=O 169680800 NNYTZILOBOTYDW-NJDAHSKKSA-N 486.411 3.429 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1Cc1cccc(F)c1 408869443 SDVUGYZOMBTTHZ-UHFFFAOYSA-N 463.328 3.492 10 40 JGCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(Br)c(O)cc1O 8441011 DENCRQBRQNSFLE-WCIBSUBMSA-N 498.152 3.454 10 40 JGCB COc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1OC 18102125 NGRYVPMDRVOYNT-VJBWXMMDSA-N 483.476 3.399 10 40 JGCB Cc1cc(C(=O)CN2CCN(c3cccc(Cl)c3)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 34675307 BFUIYWVCOFXSRR-UHFFFAOYSA-N 487.025 3.400 10 40 JGCB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260813214 QSCUDAPMLVQYCX-OALUTQOASA-N 459.612 3.429 10 40 JGCB COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)N1CCOCC1 408574809 MUOAMPZNLUEURI-JWGURIENSA-N 498.626 3.377 10 40 JGCB O=C(COC(=O)c1cncc(Br)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9138730 ZZDXTWOLZNSPLM-UHFFFAOYSA-N 465.259 3.415 10 40 JGCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCNC3=NS(=O)(=O)c4ccccc43)c2C)cc1 9635394 RFSUKONSVDYMPM-UHFFFAOYSA-N 479.558 3.257 10 40 JGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1I 18218102 LUCLVXBIKNHBEH-GXDHUFHOSA-N 468.291 3.484 10 40 JGCB COCCN1C(=O)/C(=C\c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S 33871510 JRWPLJHKGMYZEK-XMHGGMMESA-N 478.599 3.105 10 40 JGCB Cc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)cc2)c1 41084504 NBPUMGCCFYEMEO-CSQJVAFZSA-N 491.573 3.362 10 40 JGCB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccc(C)cc1 108120002 GXZNSBQEZWNZAV-QNGOZBTKSA-N 457.486 3.483 10 40 JGCB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\NNc2ccc([N+](=O)[O-])cc2)C1=O 408535935 UTJTWKQSTFUTSB-XNTDXEJSSA-N 474.271 3.003 10 40 JGCB O=C1NC(=O)C(=Cc2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)C(=O)N1 409076476 ASPVFMAYYSGYJJ-UHFFFAOYSA-N 467.177 3.352 10 40 JGCB O=C1O[C@H](C2(Br)C(=O)c3ccccc3C2=O)C(Br)=C1Br 1066197 CNOZLMUQPKVUEE-NSHDSACASA-N 464.891 3.126 10 40 JGCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(I)o1 2918941 LRLALBHJMDEWBA-YRNVUSSQSA-N 458.664 3.369 10 40 JGCB COc1ccc(-n2c(C)nnc2SCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 12532947 AKARFCINRDMYEW-UHFFFAOYSA-N 467.595 3.172 10 40 JGCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1O[C@H](C)C(=O)OC 35084830 GMZMLHDQGOHSJT-YDRQLGOLSA-N 489.322 3.250 10 40 JGCB CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)[C@@H]1/N=N\c1ccc(S(=O)(=O)Nc2ncccn2)cc1 104225889 HRJNALBHZAXUKU-AJYIMBPMSA-N 497.924 3.442 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1O 408742779 YDMFGOXDSMUXGN-RIYZIHGNSA-N 461.268 3.228 10 40 JGCB Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408757792 CCIDIQPNWWIBOB-UHFFFAOYSA-N 463.475 3.104 10 40 JGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1I 408904923 QLTXISKDXWNIRH-GXDHUFHOSA-N 462.243 3.356 10 40 JGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Cl)c3)C2=O)c(OCC)c1 408943769 MAQJIWNYJKZHOI-OQLLNIDSSA-N 488.880 3.267 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C 409406409 JTEFSGZLQXSZDT-ZHZULCJRSA-N 457.486 3.483 10 40 JGCB CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCC(=O)O)C1=O 1828245 CCFBXZCZVXXMSW-VBKFSLOCSA-N 474.608 3.305 10 40 JGCB Cc1cc(C(=O)[C@@H](C)OC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c(C)n1-c1ccccc1 9963365 YWVRTSYQMBDZLO-GOSISDBHSA-N 479.558 3.337 10 40 JGCB C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 10113424 NYAUZWKKCKPCFV-OAHLLOKOSA-N 486.421 3.301 10 40 JGCB COc1ccc2c3c(n(C[C@H](O)c4ccc(O)c(O)c4)c(=O)c2c1OC)-c1ccccc1C3=O 604404399 GHCGEMFRGYWGJY-IBGZPJMESA-N 459.454 3.375 10 40 JGCB biogenic C[C@@H]1CCC[C@H](NC(=O)NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)[C@@H]1C 9703746 ZFDKEHUJQWYXOG-SXGZJXTBSA-N 462.502 3.269 10 40 JGCB CCN(C(=O)CCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 10232951 IQFBPFWEHWQWCE-ZJYZBMPFSA-N 480.677 3.437 10 40 JGCB COc1cc(/C=C2\SC(=S)N(CCC(=O)N3CCCCC3)C2=O)cc(OC)c1OC 13400200 GBHGEQDEWKUBJT-LGMDPLHJSA-N 450.582 3.316 10 40 JGCB CCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S 33363227 ZPBNTSSXNLZPBN-XDJHFCHBSA-N 495.605 3.381 10 40 JGCB COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c1OCC(=O)O 9235751 OIEAPTDACYAOGP-OQLLNIDSSA-N 478.935 3.358 10 40 JGCB O=C(O)COc1ccc(/C=C2\C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)cc1Br 33306873 RBQNQJQTKKRYCK-QPEQYQDCSA-N 461.224 3.125 10 40 JGCB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 59514361 LWAPPEGXHTYABH-LICLKQGHSA-N 488.499 3.499 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409084051 PAHJIQJRTIVUAM-UHFFFAOYSA-N 492.853 3.262 10 40 JGCB COc1ccc2c3c(n(NC(=O)Cn4ccc5cccnc54)c(=O)c2c1OC)-c1ccccc1C3=O 604406323 IJXRSVIFXNCREI-UHFFFAOYSA-N 480.480 3.350 10 40 JGCB biogenic CC(=O)Nc1ccc(/N=N/c2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)cc1 4803989 AIUTZJHEOARBOV-QZQOTICOSA-N 465.465 3.413 10 40 JGCB CSCC[C@@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)O 8870181 DHAIWBMSCUITAS-OIFAOYGWSA-N 450.607 3.157 10 40 JGCB COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccncc4)n3C3CC3)CC2)cc1 12542676 OLERIXSWPBDAHR-UHFFFAOYSA-N 450.568 3.125 10 40 JGCB COc1ccc(N2CCN(C(=O)CSc3nnc(COc4ccc(C)cc4)n3C)CC2)cc1 904784 VQAFODFZEZKDIL-UHFFFAOYSA-N 467.595 3.152 10 40 JGCB O=C([C@@H]1CN(C(=O)/C=C/c2cn(Cc3ccccc3)nn2)c2ccccc2O1)N1CCCCC1 9864770 YYQRDKQMOUSPCG-XXFRDUSWSA-N 457.534 3.146 10 40 JGCB COc1ccc(N2CCN([C@@H](c3ccc(Cl)cc3)c3nnnn3C[C@@H]3CCCO3)CC2)cc1 13504414 KBJVBWWUODRBPM-GOTSBHOMSA-N 468.989 3.426 10 40 JGCB O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc2c(c1)OCCO2 13514456 OXUBLTFTGOCNQR-XPWALMASSA-N 481.460 3.153 10 40 JGCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)cc1 19898981 DDZXGHMLQMIUTD-FOOJEKODSA-N 491.613 3.263 10 40 JGCB CN(C)c1ccc(CN(C(=O)c2ccc(Br)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 4030261 YCLNYYNJDZTWRE-LJQANCHMSA-N 451.386 3.345 10 40 JGCB COC(=O)c1ccc(COc2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)cc2OC)cc1 9453127 LTUGQUNYMVHWSZ-VCHYOVAHSA-N 473.528 3.347 10 40 JGCB CCN(CC)c1cc2[nH]c(O)nc2cc1N/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 408532465 MURCNCGUYJBPJJ-FOWTUZBSSA-N 462.510 3.310 10 40 JGCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1cc(C)cc(C)c1 408890758 YRIBZMOQGMYQAY-UHFFFAOYSA-N 459.296 3.403 10 40 JGCB COc1ccc(N2CCN(C(=O)CSCc3nc4sc(C)c(C)c4c(=O)[nH]3)CC2)cc1 9716683 IUTYDBWKZVYCMC-UHFFFAOYSA-N 458.609 3.192 10 40 JGCB COc1ccc(N2CCN([C@@H](CC(C)C)c3nnnn3Cc3ccc4c(c3)OCO4)CC2)cc1 13505163 CGXAJRSVJHAPMG-QFIPXVFZSA-N 464.570 3.368 10 40 JGCB COc1cc(NS(=O)(=O)c2ccc(/N=N/c3ccc(O)c(C(=O)O)c3)cc2)nc(OC)n1 38181940 UJOBTXCMEZUYTO-GHVJWSGMSA-N 459.440 3.114 10 40 JGCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c(NCC(C)C)nc12 2253721 MKSSGKDJULXSCW-GDNBJRDFSA-N 460.581 3.137 10 40 JGCB COc1ccc(N2CCN(C(=O)CCCN(c3cccc(Cl)c3)S(C)(=O)=O)CC2)cc1 9096372 BYNUMAORTIDBOH-UHFFFAOYSA-N 466.003 3.244 10 40 JGCB COc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc(OC)c1OC 9514032 MGUSLWVWZSDEKF-RLOMILPJSA-N 452.492 3.411 10 40 JGCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1ccc(F)cc1 59536358 JCDIKRPBCZHQSR-UHFFFAOYSA-N 465.300 3.090 10 40 JGCB C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 1597002844 LJKNKRMRFYEAAX-LMNJBCLMSA-N 458.603 3.040 10 40 JGCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1 9259808 RJAXMPLNHONVPV-RGVLZGJSSA-N 486.436 3.359 10 40 JGCB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 12683503 JIAPJLCKMYIYND-UHFFFAOYSA-N 468.874 3.071 10 40 JGCB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1OC 222561112 DPOIGALAZXJRSI-SFHVURJKSA-N 475.611 3.192 10 40 JGCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 223822474 QBNVYFMVOACVEL-QGZVFWFLSA-N 463.600 3.021 10 40 JGCB COC(=O)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1 12363047 PJXKDGZHTOIVGT-GDNBJRDFSA-N 459.321 3.375 10 40 JGCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3Cl)C(=N)N21 20211432 ZLCJLNISAHJWSO-YBWZPROESA-N 468.347 3.405 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCC(=O)Nc1ccccc1C 33727993 KUWCZKFGUVBTCC-MOSHPQCFSA-N 487.512 3.491 10 40 JGCB Cc1ccccc1N1C(=O)/C(=C/c2cc(Br)c(N3CCOCC3)o2)C(=O)NC1=S 59249294 AENJJPGFQBBMAF-GXDHUFHOSA-N 476.352 3.018 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 2155314 OSUOPXGQCONECB-PZHBDVNGSA-N 465.550 3.003 10 40 JGCB COCCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S 13714134 WINANCBMPBQMOY-AQTBWJFISA-N 490.651 3.468 10 40 JGCB COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(OC(=O)c4cccs4)c(OC)c3)C2=O)cc1 32099538 DYWWXTMPBSOIJD-ATVHPVEESA-N 478.482 3.224 10 40 JGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1cccc(C(=O)O)c1 33720793 SQPJVCFHKHQWCZ-UYRXBGFRSA-N 459.414 3.333 10 40 JGCB C[C@@H](Oc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)C(=O)O 33749217 MENMBKXUTDBXAZ-DOQDJBIESA-N 465.687 3.416 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)c2C)cc1 223599683 LRTKRBCDSKYJCP-FGZHOGPDSA-N 450.564 3.241 10 40 JGCB O=c1sc2cc(S(=O)(=O)NCc3ccc(N4CCOCC4)cc3)ccc2n1Cc1ccccc1 225745152 STRFSGJWWULAOI-UHFFFAOYSA-N 495.626 3.426 10 40 JGCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 408904489 KHEDMECEAJFGJS-UHFFFAOYSA-N 487.965 3.355 10 40 JGCB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1ccc(N2CCC[C@H](C)C2)cc1 260838933 FNPJHFCJTVECRL-IBGZPJMESA-N 473.639 3.431 10 40 JGCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccccc1C(=O)NC1CC1 9986162 ZUPZMMKLSSIMCB-UHFFFAOYSA-N 468.465 3.150 10 40 JGCB CCN(C(=O)CCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 10232952 IQFBPFWEHWQWCE-UZNZLNSGSA-N 480.677 3.437 10 40 JGCB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(Cl)cc1 408661299 MIKIRXXYBMOIOR-QHAWAJNXSA-N 466.921 3.384 10 40 JGCB COC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 408851937 BWVJOHFJKFNNIU-LICLKQGHSA-N 487.306 3.284 10 40 JGCB Cc1cc(C(=O)COC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c(C)n1-c1ccc2c(c1)OCO2 3365612 YRJXVQBSBLQWNS-SBUREZEXSA-N 456.520 3.003 10 40 JGCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1ncc(Br)cc1Br 16488293 GKTJXYVGWKJKHS-FLIBITNWSA-N 466.089 3.185 10 40 JGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3nc(Br)ccc3Br)C2=O)cc1 95471123 HZVKWEAIGCOSPB-FLIBITNWSA-N 480.116 3.494 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 108993464 FFQGPWLNDHPSLZ-YBFXNURJSA-N 493.447 3.107 10 40 JGCB Cc1cc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)ccc1Br 10113602 RREGJNXWHMCHAJ-UHFFFAOYSA-N 480.428 3.440 10 40 JGCB COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)Nc3cccc(C)c3)CC2)cc1 22698759 CFXNZHLTQMVYPN-UHFFFAOYSA-N 476.577 3.135 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 34883058 DEVGUSWJPCHELT-MOSHPQCFSA-N 461.449 3.313 10 40 JGCB COc1cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)ccc1OCc1ccccc1C 41084528 UKQKFYSJKQWDPC-VZKFJVGXSA-N 491.573 3.491 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OC(C)=O 408775443 STQAMNXWXSJUAI-OVCLIPMQSA-N 473.279 3.358 10 40 JGCB COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N21 2411666 BAGLFPZJZXODHC-PVSGBFIBSA-N 474.513 3.429 10 40 JGCB C[C@@H]1CCC[C@@H](NC(=O)NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)[C@@H]1C 9703748 ZFDKEHUJQWYXOG-STXHMFSFSA-N 462.502 3.269 10 40 JGCB CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)cc(OC)c3O)C(=O)NC2=S)c1 9933313 ICTWHTLWJCZPRH-OVCLIPMQSA-N 477.336 3.393 10 40 JGCB COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)cc(OC)c1O 16606775 ZAVYQNBPBYVYTI-KRWDZBQOSA-N 462.300 3.439 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1OCC 96562587 FKBYNVUNXDSBTD-FVIVVMBBSA-N 491.613 3.263 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1cccc(C(=O)O)c1 408693921 BVSDZBCXGLUXFV-XDHOZWIPSA-N 464.474 3.377 10 40 JGCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)cc1 408886137 IIIQPNHYTRIIQR-RCCKNPSSSA-N 462.483 3.429 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(OC)c3)C(=O)NC2=S)c(OC)c1 409075800 ULUDXUDONGVFEJ-MHWRWJLKSA-N 456.520 3.331 10 40 JGCB CCOc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)c1OCC(=O)O 409215791 FIEZEAPFHCFECU-BOPFTXTBSA-N 488.543 3.104 10 40 JGCB COc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 8435565 OYQXIBRFTAXCAH-FIMHLPJISA-N 470.532 3.410 10 40 JGCB CN(C)c1ccc(CN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)[C@@H]2CCS(=O)(=O)C2)cc1 8846078 TVIRSDTXTGXBQJ-GOSISDBHSA-N 474.966 3.342 10 40 JGCB O=C1/C(=C/c2c(N3CCOCC3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 9237223 LLYVXGLQGDELNK-VKAVYKQESA-N 456.593 3.065 10 40 JGCB CN1C[C@@H](c2ccccn2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12C(=O)Nc1ccccc12 13811643 RNVQQSNUVRKHEQ-VWMXVWASSA-N 476.583 3.351 10 40 JGCB COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1cccc(C)c1 20205981 DWDFWKALNMKHMF-HRIUQOHOSA-N 484.559 3.204 10 40 JGCB COc1cc(/C=c2\s/c(=C3/C(=O)N(c4ccccc4)N=C3C)n(-c3ccccc3)c2=O)ccc1O 32598093 PHEOIXQTLCVZNR-VNACROIBSA-N 483.549 3.015 10 40 JGCB O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccc(F)cc1 33452392 PTYOIZWPKOIOCJ-UNOMPAQXSA-N 476.420 3.213 10 40 JGCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccccc4F)cc3)C(=O)N=C2S1 41084137 NLHWUWFDADUBJI-OLFHAYNOSA-N 486.506 3.056 10 40 JGCB CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1OC 59136096 PLHJIOLQOBBNLA-GXDHUFHOSA-N 458.467 3.448 10 40 JGCB CC1=C2[C@H](CCS2(=O)=O)[C@@]2([S@@](=O)Cc3ccccc3)C(=O)c3ccccc3C(=O)[C@@H]2C1 195791252 VNNLTWNZHDGZPB-ZPMUQEDPSA-N 454.569 3.482 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OC 408804911 CGFIZTNELPQYGV-AWNIVKPZSA-N 476.239 3.041 10 40 JGCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)c1C 409394393 ZXNBRKCALATTIP-DEDYPNTBSA-N 458.474 3.251 10 40 JGCB COC(=O)[C@@H](NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21)C(C)C 1565525056 ZBWWRMRDYALKEA-AHWVRZQESA-N 488.588 3.492 10 40 JGCB CC[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714505 OPIVGSZAIVMMNR-OAQYLSRUSA-N 466.003 3.242 10 40 JGCB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccccc4Cl)C3)CC2)cc1 19859805 RBSZUVKPTPFAGI-LJQANCHMSA-N 492.041 3.239 10 40 JGCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(N3CCN(C)CC3)nc12 26688444 HOVQWWWEIFPSIZ-XDJHFCHBSA-N 483.663 3.289 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc(Br)c1O 27527781 PMDHYOFDFSWQCD-SDQBBNPISA-N 468.101 3.387 10 40 JGCB COc1cccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1 101832424 VMKMGFPFYITLHQ-BHDDXSALSA-N 453.450 3.390 10 40 JGCB CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCOC)C1=O 2198521 QLHKKVLSMWCNPG-LGMDPLHJSA-N 460.625 3.477 10 40 JGCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1OC 8819387 FNJCYTQJCQRCQS-MFOYZWKCSA-N 458.517 3.242 10 40 JGCB CN(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)Cc1ccc(N2CCOCC2)cc1 9468811 KSFINPPNJFOKOB-UHFFFAOYSA-N 492.542 3.449 10 40 JGCB N=C(N)NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 5007934 MJDKJIBIUCTDIG-UHFFFAOYSA-N 479.522 3.265 10 40 JGCB Cc1c/c(=N\C(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c2ccccc2[nH]1 13008057 IFXUVGZCLSIBAO-AREMUKBSSA-N 471.605 3.239 10 40 JGCB COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 22734754 ORNACLMLSVHBBQ-QHCPKHFHSA-N 457.018 3.450 10 40 JGCB Cc1cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 41084355 UXIIHQVFBAKUSZ-FIUAZEGQSA-N 452.515 3.142 10 40 JGCB C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21 409202458 SMPWSRUNNKVKJS-RHTHQAGFSA-N 462.550 3.447 10 40 JGCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(N3CCOCC3)nc3ccccn3c2=O)SC1=S 1467569 PXDWVAVVJVAFPX-JQSQVVPISA-N 478.599 3.494 10 40 JGCB Cc1cc(C)n(C(=O)CCCN(C)S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 10383365 GICQYUFBDGJJIW-UHFFFAOYSA-N 465.531 3.016 10 40 JGCB CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 13007923 QWZHBXHNLISUAY-DEOSSOPVSA-N 450.583 3.360 10 40 JGCB COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(F)cc1 20205832 DQIPCGOCKFQGOB-WUVMMTAUSA-N 488.522 3.035 10 40 JGCB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 32910951 WNKDMGKNCHGTIS-NBGIEHNGSA-N 497.592 3.228 10 40 JGCB O=C(CN1CCCCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CN3CCCCC3)cc1C2=O 5463652 UNLMJDNVVZDULE-UHFFFAOYSA-N 488.588 3.311 10 40 JGCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccccc1C 9310532 GLGHVHDIEGHFOZ-VCHYOVAHSA-N 472.544 3.307 10 40 JGCB Cc1cc(C(=O)[C@H](C)OC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c(C)n1-c1ccccc1 9963366 YWVRTSYQMBDZLO-SFHVURJKSA-N 479.558 3.337 10 40 JGCB O=C(CCc1ncc(-c2c(F)cccc2F)o1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 48253331 JSDCTZPWASLTAP-UHFFFAOYSA-N 475.517 3.104 10 40 JGCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccc(C)c(C)c1 408798398 IDOBXLINTXZPFC-UHFFFAOYSA-N 459.296 3.403 10 40 JGCB Cc1cc(C(=O)CN(C)Cc2ccsc2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 62288050 UFDMEVBOSACAGN-UHFFFAOYSA-N 487.647 3.491 10 40 JGCB CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 223444479 FEYXIIARFKFZTK-HXUWFJFHSA-N 451.976 3.030 10 40 JGCB COc1ccc(N2CCN(C(=O)CCCN(c3cccc(C)c3C)S(C)(=O)=O)CC2)cc1 225773726 MHZRVPHAYHXWPZ-UHFFFAOYSA-N 459.612 3.207 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCC 408695693 XLZVJDUJJMGGCD-NTEUORMPSA-N 498.317 3.493 10 40 JGCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408870031 UYYRQPYILSMZDF-YBFXNURJSA-N 485.924 3.269 10 40 JGCB Cc1cc(/C=C2\C(=O)NC(=S)N=C2O)c(C)n1-c1ccc(I)cc1 8739403 DUKPTQFMAOYEBT-UHFFFAOYSA-N 451.289 3.453 10 40 JGCB CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](CC(C)C)C(=O)O)C2=O)cc1OC 8870156 JVFZZNHPCBIVMN-BRFSQIRFSA-N 480.608 3.301 10 40 JGCB COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409092105 UZOTVGMUPLLGDD-LICLKQGHSA-N 466.924 3.223 10 40 JGCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)C(=O)NC2=S)c1 409104631 GEGIVDNIFSYUNB-KGENOOAVSA-N 451.548 3.062 10 40 JGCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OC(C)=O)c(OC)c3)SC2=S)cc1 409352597 XMZBRYMVQNNNEY-WQRHYEAKSA-N 458.517 3.175 10 40 JGCB Cc1ccc(-n2c(C)cc(C(=O)Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)c2C)cc1F 12609121 GLEWUINZFCMJQF-UHFFFAOYSA-N 471.554 3.371 10 40 JGCB COc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc(OC)c1OC 13895628 MGUSLWVWZSDEKF-IOBVOHSESA-N 452.492 3.411 10 40 JGCB CCOc1cc(/C=C2/C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)ccc1OS(C)(=O)=O 38204629 INOBZBKKKVFPSL-GJXXPDGXSA-N 484.559 3.400 10 40 JGCB O=C1[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2 100989311 RXBBADNPSHEPGM-FKBYEOEOSA-N 467.433 3.110 10 40 JGCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(CCOC)C(=S)N=C3O)c2C)cc1 5948352 DGNIZBNPEMKAHZ-CPNJWEJPSA-N 455.536 3.384 10 40 JGCB COc1ccc(N2CCN(C3=NC(=O)C[C@@H](C(=O)Nc4ccc(Oc5ccccc5)cc4)N3)CC2)cc1 8758223 WDJWXXJGWJKOAR-VWLOTQADSA-N 499.571 3.493 10 40 JGCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 9087679 OJHILKUYMXFAKZ-CAPFRKAQSA-N 466.538 3.167 10 40 JGCB COc1ccc2c(c1)C=C[C@H]1[C@H]3C(=O)N(c4cc(Cl)ccc4OC)C(=O)[C@@H]3[C@H](C(C)=O)N21 13680801 BTGSXHANEPLYNO-XGARDCMYSA-N 452.894 3.336 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccoc3)c(=O)n2[C@H]1c1ccc(N(CC)CC)cc1 13959704 DUMKCFDBAZZOLG-FGGAIWKESA-N 465.575 3.238 10 40 JGCB CCOC(=O)Cn1c(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21 408818350 PMTMRQVXYKERFX-DEDYPNTBSA-N 477.542 3.353 10 40 JGCB COc1ccc(N2CCN([C@@H](C(=O)O)c3cn(CCC(=O)O)c4ccc(OC)cc34)CC2)cc1 36365687 DOCQXCAUFWHTFK-XMMPIXPASA-N 467.522 3.081 10 40 JGCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc3c(c1)OCO3)[C@@H](c1ccc(F)cc1)OC21C(=O)c2ccccc2C1=O 169680799 WBJXADDPQYIAFJ-YPAWHYETSA-N 485.423 3.250 10 40 JGCB COC(=O)[C@]1(CCSC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 245230500 SXKUDXNGNIIOFW-FBROZUCGSA-N 485.581 3.007 10 40 JGCB COc1cc(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c1OC 408860083 YBZJASFGRIORDO-XYOKQWHBSA-N 465.300 3.437 10 40 JGCB CCN1CCC[C@H]1CNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1616044615 IQKLBBYSBJXNNQ-PPHZAIPVSA-N 471.605 3.389 10 40 JGCB O=C(COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)Nc1ccc(F)c(F)c1F 3265283 LUHCCUSVUMCFAE-UHFFFAOYSA-N 486.449 3.467 10 40 JGCB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)cc1 13148313 USAIVOOEGMNHIA-UHFFFAOYSA-N 495.601 3.092 10 40 JGCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 57670852 KRZVIZYSAQBFIG-HXUWFJFHSA-N 450.499 3.063 10 40 JGCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(N)=O 409202987 UAHLKUKZMWQABR-UNOMPAQXSA-N 457.577 3.421 10 40 JGCB COc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc1OC 18266878 SAYDYYCTSDEPKJ-XPWALMASSA-N 483.476 3.399 10 40 JGCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2ccc(S(N)(=O)=O)cc2)cc1 20289146 WNTKENGIOFLYLW-JWGURIENSA-N 462.531 3.480 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3C(=O)O)C2=O)cc1OC 27530619 LMCMGXGPHMJPPZ-LICLKQGHSA-N 458.517 3.242 10 40 JGCB COc1cccc(/C=C2\SC(=S)N(CC(=O)NCCc3ccc(OC)c(OC)c3)C2=O)c1 54360636 RGIRWQINISOSEG-MOSHPQCFSA-N 472.588 3.273 10 40 JGCB O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1)Nc1ccccc1 409248412 GGRBOSBRLLSUTH-BKUYFWCQSA-N 486.440 3.279 10 40 JGCB COc1ccc(N2CCN([C@@H](CC(C)C)c3nnnn3CS(=O)(=O)c3ccc(C)cc3)CC2)cc1 13505415 PTTWFCPMXBWZIV-DEOSSOPVSA-N 498.653 3.331 10 40 JGCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1ccc(C)cc1 408878206 YDSUSCPQQPTSTN-UHFFFAOYSA-N 461.337 3.259 10 40 JGCB COc1cccc2cc(C(=O)OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)oc12 9597200 PDJKNTQTMWPRON-UHFFFAOYSA-N 483.432 3.373 10 40 JGCB Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1[N+](=O)[O-] 13012794 RMOMFDCRJVLYND-UHFFFAOYSA-N 454.313 3.382 10 40 JGCB Cc1cccc(N(CCCC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1C 113961007 CCZXSTSZRYAIGW-UHFFFAOYSA-N 459.612 3.003 10 40 JGCB CSCC[C@@H](CO)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1565524455 IGBYCKURUBYFFJ-HFJWLAOPSA-N 492.645 3.409 10 40 JGCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 9130599 ITMTZUVPTGHJAQ-RUZDIDTESA-N 490.472 3.381 10 40 JGCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)C(=N)N21 20206180 IKDIJFKNRGMJHQ-BMXNGJOMSA-N 488.934 3.180 10 40 JGCB CCOC(=O)[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1OC 35225053 YJLHBBGXXCKKEH-MFVBVHDHSA-N 489.322 3.250 10 40 JGCB CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1ccc(CC)cc1 57478458 GXJXDVNBASNHFK-RUZDIDTESA-N 478.593 3.251 10 40 JGCB COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)c2C)c([N+](=O)[O-])c1 223582807 CFCIOVYNZOHCEX-VXKWHMMOSA-N 467.551 3.371 10 40 JGCB C[C@@H]1CCC[C@@H](NC(=O)Cn2c(=O)/c(=C/c3ccc(N(C)C)cc3)s/c2=C/C(=O)C(C)(C)C)[C@@H]1C 229886913 XTUCJUIMBLKLHX-RLMSZNCDSA-N 497.705 3.141 10 40 JGCB CC[C@H](C)[C@@H](CO)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1616044677 QGUDVNUGAKWEDG-JHACJNOPSA-N 460.578 3.311 10 40 JGCB CC1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 1464538 ANMXAIKGHWJNJF-APVMCDBPSA-N 470.620 3.311 10 40 JGCB COc1cc(/C=C2\C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)ccc1OCC(=O)O 13940183 ZIOKGDHIPKEIGM-DALCUZTNSA-N 450.476 3.134 10 40 JGCB O=C(/C=C/c1ccc(O)c(O)c1/C=C\c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O 14690022 YMGFTDKNIWPMGF-HMJIXKBTSA-N 494.452 3.343 10 40 JGCB Cc1ccc2c(=O)cc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@H]3CCS(=O)(=O)C3)oc2c1C 15831296 IHVQQTROXHHGKE-FQEVSTJZSA-N 468.575 3.305 10 40 JGCB COc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)CC2)cc1 33131252 ZLCIALNABYOVRV-UHFFFAOYSA-N 463.987 3.096 10 40 JGCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)SC1=S 40567597 TXXPZJFDLOAWHF-MLJKTZRHSA-N 461.473 3.164 10 40 JGCB CCOc1ccccc1N1C(=O)N=C(O)/C(=C/Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 103094605 NPWSWQCSIQQZGY-VKAVYKQESA-N 461.478 3.302 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 408692844 WRRLQYPNJCXUKM-XDHOZWIPSA-N 464.474 3.377 10 40 JGCB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408764722 YDMVMVBTTAZLLO-SXGWCWSVSA-N 466.518 3.250 10 40 JGCB CCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 1481312 UENAMGSCNKSJRE-YVLHZVERSA-N 466.544 3.256 10 40 JGCB COc1ccc(N2CCN(C(=O)CSc3nnc(COc4ccc(F)cc4)o3)CC2)cc1 9632426 LTRDEQNKRDWRJS-UHFFFAOYSA-N 458.515 3.237 10 40 JGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)o1 16488385 AHXUAOGOBZNWGD-CYVLTUHYSA-N 460.446 3.153 10 40 JGCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 409003443 GMSPBTMNUWFCRP-PXLXIMEGSA-N 485.496 3.412 10 40 JGCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCc4ccccc4)C3=O)c(NCCO)nc12 2195249 LRUUNIRLKXLUSD-CYVLTUHYSA-N 480.615 3.241 10 40 JGCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccc2c(c1)OCCCO2 9586970 FSDXVFCTXKLANI-UHFFFAOYSA-N 457.438 3.419 10 40 JGCB CCN1C(=O)/C(=C/c2cn(CC(=O)NCCOC)c3ccc(Br)cc23)SC1=S 409148379 YKIGBCWMFKWZAS-PXNMLYILSA-N 482.425 3.388 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(N)=O 409219426 QKIWBROTJUFJFR-NTUHNPAUSA-N 492.315 3.231 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C 409273498 YOUBIHWUQPGSSL-UHFFFAOYSA-N 487.965 3.287 10 40 JGCB Cc1oc2c(CN3CCN(CCO)CC3)c(O)ccc2c(=O)c1Oc1ccccc1Br 1275290 ZMEKEHVCIPUIMD-UHFFFAOYSA-N 489.366 3.472 10 40 JGCB biogenic Cc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c(C)n1-c1ccccc1 20207287 OEMDBADXHKSHHU-JMCWYTMQSA-N 455.565 3.494 10 40 JGCB Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 24989092 JJGHJISFQVYLTM-UHFFFAOYSA-N 467.570 3.101 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 6226219 VJGBAKIZFNXENT-WVWKGNOCSA-N 498.004 3.223 10 40 JGCB CCN(C(=O)[C@H](C)OC(=O)c1cc(C)n(-c2cc(Cl)ccc2OC)c1C)[C@@H]1CCS(=O)(=O)C1 12517327 ZXWKIODDRDWUDA-FUHWJXTLSA-N 497.013 3.337 10 40 JGCB Cc1ccc2c(=O)cc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)oc2c1C 15831294 IHVQQTROXHHGKE-HXUWFJFHSA-N 468.575 3.305 10 40 JGCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\N1CCN(c2ccc(F)cc2)CC1 408553509 ZPNHOGOSVOPDKB-VBKFSLOCSA-N 462.909 3.072 10 40 JGCB COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C(=O)N(c2ccccc2)C1=O 409011256 GTIBPKDHNIFIEU-KQWNVCNZSA-N 486.528 3.218 10 40 JGCB COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)O 9188374 SUKHRDMBMYPXLW-LSCVHKIXSA-N 459.501 3.289 10 40 JGCB Cc1c(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(=O)oc2c3c4c(cc12)CCCN4CCC3 13813921 WZMCJSCKXYQFKG-HYARGMPZSA-N 483.524 3.462 10 40 JGCB COc1ccccc1/N=N\c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(NC(C)=O)c2c1O 17311136 GWWYFEYLWLUZFT-DQRAZIAOSA-N 495.491 3.421 10 40 JGCB Cc1ccc(COc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1 41077791 KGVJFQCJDPKLGU-JMCWYTMQSA-N 454.533 3.195 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408803142 LRMHDAXSVVOTCS-UHFFFAOYSA-N 490.266 3.084 10 40 JGCB COCCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)C(C(=O)OC)=C1C 408876274 NMMFHHFDXMIOBR-JCMHNJIXSA-N 480.517 3.032 10 40 JGCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCC(=O)O 9972986 NFDWUAKLCRDHCR-GHXNOFRVSA-N 493.344 3.374 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCc3ccc(O)c(O)c3)C2=O)cc1 28297007 NNKZCWDDCVQBNW-CPNJWEJPSA-N 458.561 3.057 10 40 JGCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCC(=O)OC(C)C 107864251 VUQNIELQIZAYAB-MOSHPQCFSA-N 450.491 3.216 10 40 JGCB COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)cc1 223164111 XVKJPAYPNKISNK-DQEYMECFSA-N 477.634 3.494 10 40 JGCB CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 8738400 WAQPVZZUTIETAM-OKSBFYSISA-N 488.635 3.222 10 40 JGCB CCOc1cccc([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]23)c1O 15276160 XJQBNYCQHNKFHD-FUSMBFRDSA-N 482.533 3.119 10 40 JGCB Cc1cccc(COc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1 20205957 NTSJFEAOXNGMIG-JMCWYTMQSA-N 454.533 3.195 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1OC 27530621 FNJCYTQJCQRCQS-RQZCQDPDSA-N 458.517 3.242 10 40 JGCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)N4CCCCC4)cc3)CC2)cc1 408592011 NCCVZUFSLZLXMI-UHFFFAOYSA-N 458.584 3.224 10 40 JGCB Cc1cc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C)C3=O)c2C)ccc1I 409002993 XSYMHDVPCDQHFA-OQLLNIDSSA-N 463.275 3.099 10 40 JGCB CCn1c(-c2ccccc2)cnc1SCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12549686 QZNHYQNXGPLLDS-HSZRJFAPSA-N 492.601 3.173 10 40 JGCB CCOC(=O)[C@@H](C)Oc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33783403 AQGVPHFITNAOGF-KAECEXQPSA-N 459.296 3.241 10 40 JGCB COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccccc1F 41077804 IAYZBYYUKAGGHY-GQFJHEMJSA-N 488.522 3.035 10 40 JGCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)NC1=S 408904444 JNFOKEMUFZBABV-KPKJPENVSA-N 462.281 3.203 10 40 JGCB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2nnc(CC)s2)N[C@@H]1c1ccc(N(C)C)cc1 409337176 RGOVCAZVRSZXDY-LJQANCHMSA-N 488.639 3.376 10 40 JGCB CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCCOC)C1=O 8859273 YIYVVUSINGBZQF-VKAVYKQESA-N 476.624 3.079 10 40 JGCB O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1NC1=NS(=O)(=O)c2ccccc21 9851618 IHWITLYVPLXXQV-UKTHLTGXSA-N 480.390 3.304 10 40 JGCB CCN(CC)c1ccc(CNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 225288972 HSRBALCTQFHVJZ-UHFFFAOYSA-N 462.572 3.304 10 40 JGCB COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3ccc4c(c3)OCO4)C2=O)c1 408532017 HVQHQZRXIZOBOZ-ODLFYWEKSA-N 486.436 3.310 10 40 JGCB Cc1cccc(C)c1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408654457 BPYPXWLXQDDNDA-FKBYEOEOSA-N 460.530 3.348 10 40 JGCB CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CC)C2=O)CC1 1480711 AHNYMPCWSACTTR-LGMDPLHJSA-N 486.619 3.004 10 40 JGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(N4CCOCC4)o3)C2=O)c1 6768135 NYIISRPAHNPUTM-YBEGLDIGSA-N 474.311 3.162 10 40 JGCB CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](CC(C)C)C(=O)O)C2=O)cc1OC 8870157 JVFZZNHPCBIVMN-GYZOOYGHSA-N 480.608 3.301 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCCOc1ccccc1 13896063 CAVQHVMXROMVQE-UHFFFAOYSA-N 475.295 3.055 10 40 JGCB COc1ccc(N2CCN([C@@H](c3cc4ccc(C)cc4[nH]c3=O)c3nnnn3C(C)(C)C)CC2)cc1 19221857 XFSLFFJLMFGFRX-DEOSSOPVSA-N 487.608 3.498 10 40 JGCB COc1ccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)NCc3ccccc3)CC2)cc1 67245965 XSRLPGUEJDAXGV-UHFFFAOYSA-N 471.604 3.198 10 40 JGCB COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC 408844014 BKKTVUBSEPVTJH-LZYBPNLTSA-N 472.881 3.184 10 40 JGCB Cc1cccc(C)c1OCCOc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1 20205908 ZGCWPBNKKJZRNB-PCHQCWAOSA-N 498.586 3.383 10 40 JGCB COc1ccc(CCN2C(=O)N=C(O)/C(=C/Nc3ccccc3NC(C)=O)C2=O)cc1OC 102889651 QOHPGBNXTMCGOY-SSZFMOIBSA-N 452.467 3.119 10 40 JGCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccccc1C(=O)OC 103920250 NRLBBQWDTFGXHO-MOSHPQCFSA-N 452.423 3.033 10 40 JGCB CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)s1 260762401 ILQJJZFERCRFEA-LSDHHAIUSA-N 451.618 3.408 10 40 JGCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(Br)o1 408954622 RYEJEMLWVNUAFJ-RUDMXATFSA-N 484.056 3.200 10 40 JGCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(O)c([N+](=O)[O-])c3)C2=O)cc1 408985957 LEWPOZATBSFEDO-QPEQYQDCSA-N 460.240 3.292 10 40 JGCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\NCCc1c[nH]c2ccccc12 2051734 ZRLVXELLJVASOQ-ATVHPVEESA-N 453.296 3.229 10 40 JGCB COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)Cc2ccccc2)cc1 22990333 XVYOKQBQDHZBMX-SFHVURJKSA-N 453.564 3.227 10 40 JGCB COc1c(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)N=C2O)c(CCN(C)C(C)=O)cc2c1OCO2 33369929 VJCKSBVJVFUKAP-YBFXNURJSA-N 497.479 3.086 10 40 JGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1ccc(C(=O)O)cc1 33720795 PLMHEFKRCBTJMB-UYRXBGFRSA-N 459.414 3.333 10 40 JGCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 34864237 UJVHIILAIQFNPL-ZDLGFXPLSA-N 459.911 3.473 10 40 JGCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NCCN1CCN(C(=O)c2ccccc2)CC1 100163462 WSWDBELIDNEEJC-NMWGTECJSA-N 490.564 3.029 10 40 JGCB COCCCNC(=O)Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21 409131137 MBOYFLGORMMJHA-BRLDDBHUSA-N 473.620 3.174 10 40 JGCB O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(Cc1ccccc1O)CC2=O)NC1CC1 958317901 XTUSAADJLZQCBE-VXKWHMMOSA-N 489.616 3.476 10 40 JGCB COc1ccc(N2CCN(C(=O)CSc3nc4ccccc4c(=O)n3Cc3ccco3)CC2)cc1 23475288 GFLGRLJBQPTOTD-UHFFFAOYSA-N 490.585 3.487 10 40 JGCB COCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 13645788 VBCSQZXFUHKFEY-DXIGTLQTSA-N 472.636 3.333 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(Br)c3)C2=O)cc1Cl 13881162 LEVFCSBOJOBIPU-WDZFZDKYSA-N 451.660 3.483 10 40 JGCB COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCN4C(=O)c3ccccc3)CC2)cc1 28206662 GMYQZIZBSLWAAW-UHFFFAOYSA-N 477.586 3.409 10 40 JGCB Cc1ccc(NC(=O)COc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cccc2[N+](=O)[O-])cc1 33720809 NUHKRSSUSCBMHJ-ZHZULCJRSA-N 472.457 3.382 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3ccc4c(c3)OCO4)C2=O)cc1 408534645 MLYSGQIVSOAISQ-UNOMPAQXSA-N 486.436 3.310 10 40 JGCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3)C2=O)cc1 409042345 MMNPAAGMHGCLJP-RCCKNPSSSA-N 499.479 3.157 10 40 JGCB CN1CCCc2cc([C@H](CNC(=O)CN3C(=O)c4ccccc4C3=O)N3CCCCC3)ccc21 9138016 BHNBGDSPFQMBFS-DEOSSOPVSA-N 460.578 3.008 10 40 JGCB COc1ccc(N2CCN([C@H](c3cc(OC)ccc3OC)c3nnnn3C(C)(C)C)CC2)cc1 13504094 ZVWRCZJJTUYHHO-HSZRJFAPSA-N 466.586 3.366 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccccc1OCC 96562588 FKBYNVUNXDSBTD-FOOJEKODSA-N 491.613 3.263 10 40 JGCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)O 408983077 KEIAACQGKFKNBF-NVNXTCNLSA-N 458.854 3.177 10 40 JGCB COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3cc(F)ccc3F)c3cccnc3)CC2)cc1 56896357 QWUXOLDCFBPRQK-HSZRJFAPSA-N 488.560 3.210 10 40 JGCB O=C(O)COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O 409179425 NEHMFFDJSXIWSA-OQLLNIDSSA-N 493.360 3.459 10 40 JGCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCc4cnc[nH]4)c4ccccc34)[C@H]21 1565524403 GOVVQJMKKPBWPT-SANMLTNESA-N 468.561 3.260 10 40 JGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ncc(Br)cc3Br)C2=O)cc1 8440460 UZSUNNUMJPQCDX-WQLSENKSSA-N 480.116 3.494 10 40 JGCB COc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3F)c2C)ccc1OCC(N)=O 9470835 NIBIVBRVIONBLO-UHFFFAOYSA-N 454.454 3.146 10 40 JGCB COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OS(C)(=O)=O 13802142 DMMDBLJNKMEJBN-LQFYYXEQSA-N 455.517 3.338 10 40 JGCB COC(=O)c1sc(NC(=O)CCN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)nc1C 16701162 IUXLDDQEYZKKTA-UVTDQMKNSA-N 477.589 3.477 10 40 JGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 95471482 YQDWCYATUCWXJI-RGEXLXHISA-N 488.953 3.093 10 40 JGCB CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)Nc2ccccn2)cc1 100334475 HMMJBTDPNPTRQK-QTJUSOIVSA-N 492.517 3.301 10 40 JGCB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1OC 260841267 LEYCWZYJTRRVJI-RTBURBONSA-N 489.638 3.438 10 40 JGCB Cc1cccc(C)c1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408654461 BPYPXWLXQDDNDA-VSKRKVRLSA-N 460.530 3.348 10 40 JGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1I 408911444 NITCVWUPMFXWNG-NTUHNPAUSA-N 466.206 3.105 10 40 JGCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(N3CCN(c4ccccc4)CC3)nc12 1450039 NUNLVMDIXDKIIK-CYVLTUHYSA-N 477.615 3.161 10 40 JGCB CN1CCCc2cc([C@@H](CNS(=O)(=O)c3cccc(Cl)c3)N3CCOCC3)ccc21 22735472 UBTMFRKSEXYZKJ-JOCHJYFZSA-N 450.004 3.074 10 40 JGCB CCN1C(=O)/C(=C2/C(=O)N3c4c(cc(OC)cc42)C(CN2CCOCC2)=CC3(C)C)SC1=S 1554503004 APENEOQSVPHWJY-ZZEZOPTASA-N 485.631 3.141 10 40 JGCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/NC1CCN(Cc2ccccc2)CC1 2304143 ALZHYBKSJQIRIK-XSFVSMFZSA-N 483.366 3.170 10 40 JGCB CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCC1 9135739 CCKQGUNHCRLSNC-QHCPKHFHSA-N 450.583 3.360 10 40 JGCB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 9138058 LONVSVJPCLGHSG-XMMPIXPASA-N 450.583 3.360 10 40 JGCB CCOC(=O)c1cccc(-c2ccc(/C=C3/C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)o2)c1 41084428 RPLZJXLNLLZFRQ-MGTNDIQKSA-N 479.518 3.032 10 40 JGCB COc1cc(C(=O)Oc2ccccc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OC 107632904 GGLGWECPRCTNOK-CPNJWEJPSA-N 474.469 3.393 10 40 JGCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(O)c(OC)c3)C2=O)cc1OCC 409193656 KWRRCJWEVMNJBK-GZTJUZNOSA-N 454.479 3.250 10 40 JGCB CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)C(C(=O)OC)=C1C 408777143 VYMSHRXOSDEJAQ-RGEXLXHISA-N 450.491 3.405 10 40 JGCB CN(C)c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1Br 409210532 JIWVXKTWBBMNEP-MHWRWJLKSA-N 461.291 3.186 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 409260475 QRWXVDSBGKSATA-UHFFFAOYSA-N 478.288 3.159 10 40 JGCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc([N+](=O)[O-])c1O 409327769 MRBSZXYBFJPRNF-JYRVWZFOSA-N 451.507 3.307 10 40 JGCB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccc(N2CCOCC2)cc1 13674418 NHZAXGHPVGXYMR-UHFFFAOYSA-N 471.623 3.326 10 40 JGCB CN1CCN([C@@H](CNC(=O)c2ccc(Br)cc2)c2ccc3c(c2)CCN3C)CC1 22733730 KESSQIYYAUOJRO-QFIPXVFZSA-N 457.416 3.160 10 40 JGCB Cc1ccc(O)c(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCN(C)CC3)C2)c1 257296265 RBZZRUMUEGCUHZ-SANMLTNESA-N 488.028 3.168 10 40 JGCB Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1C 408665930 QWLSRFNQAXDBEC-ZRBLBEILSA-N 460.530 3.348 10 40 JGCB Cc1c(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)c(=O)n(-c2ccccc2)n1C 8820222 HIXBZJFBSRRQHQ-LFIBNONCSA-N 470.601 3.386 10 40 JGCB CCOC(=O)N1CCN(C(=O)CCCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CC1 8871702 TZQPUTYAHVAICV-VKAVYKQESA-N 465.572 3.108 10 40 JGCB O=C(O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl 9259370 BRRKLBQERHVGKN-QPEQYQDCSA-N 451.287 3.288 10 40 JGCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)C(=N)N21 20205813 ZOUUFLLJLOGEOU-QNPDVEALSA-N 458.496 3.026 10 40 JGCB CCOC(=O)[C@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 33780230 ZKCVSSYRPURWBB-RERGGYADSA-N 459.296 3.241 10 40 JGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1I 408744029 YEMWYRXKOCLVSP-NTEUORMPSA-N 478.311 3.440 10 40 JGCB COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OS(C)(=O)=O 33399154 PTEJILJJQJUXFJ-SXGWCWSVSA-N 466.518 3.348 10 40 JGCB O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-])Nc1ccccc1 33720805 XPBQKYPDBJZCSZ-RGEXLXHISA-N 458.430 3.074 10 40 JGCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1 409073675 WVVLARKZPSMYQC-CPNJWEJPSA-N 498.900 3.480 10 40 JGCB CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1 409188250 XTGJXNXARCPSCN-VCHYOVAHSA-N 487.306 3.446 10 40 JGCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 8859265 HEJSXIBLIBDCFY-RGEXLXHISA-N 495.605 3.300 10 40 JGCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(C)(C)C)cc3)C2=O)ccc1OCC(=O)O 9311143 MVPSIEZLMATENJ-BOPFTXTBSA-N 468.531 3.287 10 40 JGCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1c(O)[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O 13590387 CJRMHIXLMXOBEH-YBEGLDIGSA-N 457.273 3.344 10 40 JGCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N(CCS(=O)(=O)O)C3=O)o2)c([N+](=O)[O-])c1 35040011 CHAGJAILNNODGU-DHDCSXOGSA-N 454.507 3.252 10 40 JGCB COc1ccccc1NC(=O)[C@H](/N=N/c1cccc(S(=O)(=O)Nc2nncs2)c1)C(C)=O 104123853 CLUFLVVIKVLHIG-DUPNKOKHSA-N 474.524 3.028 10 40 JGCB O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCc1ccc(N2CCOCC2)cc1 216357128 YDOLPUHESZGGPR-UHFFFAOYSA-N 481.549 3.154 10 40 JGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C2=O)c1 408853680 WOQZGDZJRZCULA-CIAFOILYSA-N 487.468 3.465 10 40 JGCB COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 9138366 UYEUROBRPARCKB-DEOSSOPVSA-N 450.583 3.360 10 40 JGCB CCOCc1c(C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)oc2ccccc12 12645799 MXHYRIWWTDDGEC-UHFFFAOYSA-N 452.507 3.484 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccccc1C 408889766 GYPJIMMIWNCVMD-UHFFFAOYSA-N 459.296 3.485 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3cc(Br)cs3)C(=O)NC2=S)c(OC)c1 409099024 RPMRRWFIXKGUEP-KPKJPENVSA-N 453.339 3.359 10 40 JGCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 409125685 JWANLUKKHRJPSW-MHWRWJLKSA-N 490.354 3.256 10 40 JGCB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccc(Br)cc23)SC1=S 409147143 VGOMTDAYUQELGC-MFOYZWKCSA-N 494.436 3.484 10 40 JGCB COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(NC(=O)c4ccccc4)c3C)C2=O)cc1 409212544 MZTWEYUZQDAXFE-HMAPJEAMSA-N 487.516 3.029 10 40 JGCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)O)cc2)C(=O)NC1=S 59679280 MKSVUXMEKHXCFZ-HMHNVIDESA-N 489.347 3.441 10 40 JGCB COc1ccc(CCN2C(=O)N=C(O)/C(=C/Nc3ccc(NC(C)=O)cc3)C2=O)cc1OC 103125795 YIYRLFJOQLGDMQ-AQTBWJFISA-N 452.467 3.119 10 40 JGCB CC(=O)[C@H](/N=N\c1ccc(S(=O)(=O)N[C@H]2ON[C@@H](C)[C@H]2C)cc1)C(=O)Nc1ccc(Cl)cc1 104124158 LUVAOLFDOPQHAJ-RBSSTIKCSA-N 493.973 3.184 10 40 JGCB CCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2CCCO)c2cc(Br)ccc21 13659812 YNMHRBKTIQMAPO-LGMDPLHJSA-N 454.324 3.449 10 40 JGCB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 18181468 RZEDWAPLUVAYTG-BHIFYINESA-N 498.447 3.299 10 40 JGCB CN1C(=O)C(=Cc2ccc(OC(=O)c3ccccc3F)c(Br)c2)C(=O)N(C)C1=O 41077933 CLIGLQFZLWYNGC-UHFFFAOYSA-N 461.243 3.241 10 40 JGCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 58822109 LTLRJDJWLSWWDJ-XNTDXEJSSA-N 466.518 3.202 10 40 JGCB COc1cc(N2N=C(C)/C(=C/Nc3cc4nc(O)[nH]c4cc3N3CCOCC3)C2=O)ccc1Cl 408534321 QHQGDCOINCDTGD-QINSGFPZSA-N 482.928 3.486 10 40 JGCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4)cc3)C2=O)cc1 409048969 VFQNJGVRCQIQEK-PXLXIMEGSA-N 499.479 3.157 10 40 JGCB NC(=O)C1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccncc3)S2)CC1 2703943 GBTKRBRMDAEHPO-ZHZULCJRSA-N 458.547 3.102 10 40 JGCB Cc1ccc(C)c(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)N(C)C)c1 19933174 BOHUZGHUMMLKQS-UHFFFAOYSA-N 458.628 3.223 10 40 JGCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4cc(Cl)ccc4OC)C(=O)[C@H]3[C@H](C(C)=O)N21 101486113 BTGSXHANEPLYNO-CIQXWFTPSA-N 452.894 3.336 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OC(C)C)C(=O)NC2=S)c(OC)c1 409100280 VXMWZLGDSTXDRU-LFIBNONCSA-N 456.520 3.331 10 40 JGCB Cc1ccccc1NC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1Cl 409266147 OYSMGAYGDCTIQW-UHFFFAOYSA-N 464.330 3.234 10 40 JGCB CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC 1200694 ZTFQVPWPPICQMI-ZROIWOOFSA-N 492.269 3.365 10 40 JGCB Cc1cc(C(=O)COC(=O)CCS(=O)(=O)c2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 9284499 VPNFIJPPYHFFKH-UHFFFAOYSA-N 469.515 3.413 10 40 JGCB COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccccc1C 20205977 OJNPLOFRNINXCA-HRIUQOHOSA-N 484.559 3.204 10 40 JGCB COc1ccc(N2CCN([C@H](c3cccc(OC)c3)c3sc4ncnn4c3O)CC2)cc1 22609922 UFXBTRBKZUAETP-HXUWFJFHSA-N 451.552 3.425 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2905634 WZFPHEBFNGGVRX-HMHNVIDESA-N 458.854 3.257 10 40 JGCB CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/c4cccs4)SC3=S)C2=O)cc1 10386588 BTKKWGUHRLDKCV-CCAPLTMGSA-N 472.569 3.458 10 40 JGCB CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 13715119 PEFBJVWAZCSACE-OKSBFYSISA-N 488.635 3.302 10 40 JGCB CC1=NN2C(=N)/C(=C/c3ccc(OCc4cc(=O)n5nc(C)sc5n4)c(Cl)c3)C(=O)N=C2S1 41107997 SYJCUCUIUPVVPE-HGKOYSDVSA-N 499.965 3.331 10 40 JGCB Cc1cc(C)cc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 408658795 IWZPUAWQTUINMS-XPWALMASSA-N 460.530 3.348 10 40 JGCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)c(O)c(Br)c1 408692452 MUIKQCUQRWYRGU-BJMVGYQFSA-N 458.106 3.322 10 40 JGCB COc1ccc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)c(OC)c1 2422875 VYEPPADCRNVTAZ-YVLHZVERSA-N 450.563 3.107 10 40 JGCB COc1ccc(N2C(=O)C(=O)N(CC(=O)c3cc(C)n(-c4ccc5c(c4)OCCO5)c3C)C2=O)cc1 9847302 YLMQGFXFSXKHAA-UHFFFAOYSA-N 489.484 3.052 10 40 JGCB CCN(C(=O)[C@H](C)OC(=O)c1cc(C)n(-c2cc(Cl)ccc2OC)c1C)[C@H]1CCS(=O)(=O)C1 12517328 ZXWKIODDRDWUDA-WMZOPIPTSA-N 497.013 3.337 10 40 JGCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@H]3NC(N)=Nc4nc5ccccc5n43)c2C)c1 12618483 BUGSBMOIKACWOA-NRFANRHFSA-N 472.505 3.113 10 40 JGCB Cc1cc(C(=O)N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)c(C)n1-c1ccc(F)cc1 12739247 WPSPLYXSGBAFIQ-UHFFFAOYSA-N 459.525 3.199 10 40 JGCB O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc2c(c1)OCCO2 101057608 OXUBLTFTGOCNQR-RJGXRXQPSA-N 481.460 3.153 10 40 JGCB Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1C 223583274 KLRFLDNEIHGCGX-VXKWHMMOSA-N 450.564 3.461 10 40 JGCB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 260798412 SSMIIYONYRHNRV-LJQANCHMSA-N 459.612 3.429 10 40 JGCB COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 408867362 KONWDJDDGBJIQX-OQLLNIDSSA-N 462.243 3.275 10 40 JGCB COc1ccccc1N1C(=O)/C(=C\c2cc(Br)c(OC)c(OC)c2)C(=O)NC1=S 409171377 AAUZAGJFPBIDPA-WQLSENKSSA-N 477.336 3.306 10 40 JGCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O 409234939 AZOVLFWBGIVNIV-LFIBNONCSA-N 473.327 3.055 10 40 JGCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)N=C2S1 41083877 HHORKKTUOYFIJN-FZVWOUGZSA-N 473.492 3.175 10 40 JGCB COC(=O)C1=CN(c2cc(OC)c(OC)c(OC)c2)c2cc(Br)ccc2S1(=O)=O 64979270 LAEHDNZULYPPKU-UHFFFAOYSA-N 484.324 3.415 10 40 JGCB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/NC1CCN(Cc2ccccc2)CC1 100773066 ZWUDSLYDPLCVST-XSFVSMFZSA-N 472.467 3.426 10 40 JGCB CCN1C(=O)C(=Cc2ccc(C(=O)OCC(=O)Nc3ccc(C)cc3)cc2)C(=O)N(CC)C1=S 409208837 DPVNRWNURDCCGB-UHFFFAOYSA-N 479.558 3.169 10 40 JGCB COc1ccc2c3c(n(CCNC(=O)c4ccncc4)c(=O)c2c1OC)-c1ccccc1C3=O 604405481 ONTAQNVVKKCEBJ-UHFFFAOYSA-N 455.470 3.055 10 40 JGCB biogenic COc1ccc(N2CCN(C3=NC(=O)C[C@H](C(=O)Nc4ccc(Oc5ccccc5)cc4)N3)CC2)cc1 8758216 WDJWXXJGWJKOAR-RUZDIDTESA-N 499.571 3.493 10 40 JGCB Cc1cc(C)c2c(N)c(C(=O)OCC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)sc2n1 12734106 RFYQIYMVAFXOHF-UHFFFAOYSA-N 472.479 3.360 10 40 JGCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCC(=O)OCC 33411974 NOWJJJSXXNSKIM-ZHZULCJRSA-N 450.491 3.217 10 40 JGCB N=C1/C(=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 41084571 ZDOMZRVESVPONP-ZJMJMQDBSA-N 495.948 3.468 10 40 JGCB Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3nnc(-c4ccccc4)s3)C2=O)ccc1Br 408531239 NPCGVSPCNZKMIX-GXDHUFHOSA-N 484.335 3.855 10 40 JGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N3CCCCC3)C2=O)c(C)c1 408534765 RBHXALSFJUFKON-DTQAZKPQSA-N 474.521 3.454 10 40 JGCB CCN(CC)c1ccc(CN(C)C(=O)[C@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)cc1 9313724 XOLLVIVZHSWPIF-JOCHJYFZSA-N 456.612 3.255 10 40 JGCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 12662180 NLSHNWSUSLXCGU-SAHHGKCQSA-N 483.590 3.225 10 40 JGCB biogenic CCOc1cc(OCC)c(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1Br 409390449 FLPMQLVEUPAZEK-NTEUORMPSA-N 460.284 3.308 10 40 JGCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(NCCCn3ccnc3)nc12 9327452 GUWBSWDEVKEOLG-ATVHPVEESA-N 468.608 3.311 10 40 JGCB O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)cccc21 10186968 JTRJWLJYSKEKBA-SFHVURJKSA-N 466.540 3.315 10 40 JGCB Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c2ccccc2n1 21887081 DOTBVCWEAYRVSN-SANMLTNESA-N 487.604 3.054 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)C(=O)NC2=S)c(OC)c1 409071474 RNZCXTOROWGJNW-KPKJPENVSA-N 463.309 3.003 10 40 JGCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O 409230023 ATRVLLLGXTVJTI-RGVLZGJSSA-N 488.500 3.363 10 40 JGCB Cc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)C2=O)cc1 8870080 ZFPNSYCXIJVHSD-LKQKOTCASA-N 479.583 3.490 10 40 JGCB COC(=O)Cn1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 13800970 GRCQCTYYVWXQJH-YVLHZVERSA-N 453.907 3.299 10 40 JGCB O=C(C1=CN(c2ccc(OC(F)(F)F)cc2)c2cc(F)ccc2S1(=O)=O)N1CCOCC1 49004050 AVMIGAMQZBWEOP-UHFFFAOYSA-N 472.416 3.350 10 40 JGCB O=C(O)COc1ccccc1[C@@H]1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c21 96115560 MMIJJQGEUISIKD-AWEZNQCLSA-N 490.420 3.481 10 40 JGCB biogenic CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O 408760424 YMCXEZZCZQBUSB-KTZOAPACSA-N 481.306 3.306 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)cc3Br)C(=O)NC2=S)c(OC)c1 9260419 RNINVBPWMYXQJX-WUXMJOGZSA-N 493.335 3.012 10 40 JGCB CCOc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 33458053 WYHRHICXXAKBLI-UJNQTBGZSA-N 465.447 3.462 10 40 JGCB CCc1ccc([C@@H]2CC(c3ccc(O)cc3)=NN2C2=NC(=O)[C@H](CC(=O)N[C@@H](C)C(=O)O)S2)cc1 252498456 RCLRMULGNWZCSF-WVFSVQOHSA-N 494.573 3.083 10 40 JGCB COc1cc(/C=C2\C(=O)N(C)N=C2c2ccccc2)cc(I)c1OC(C)=O 13914470 BATNTKAZTATDOW-DHDCSXOGSA-N 476.270 3.485 10 40 JGCB CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1 222630741 VSHMIJQSXAFHIU-UHFFFAOYSA-N 479.046 3.052 10 40 JGCB C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(N2CCCCC2)cc1 225562833 WFSXAVUOTGURNR-LJQANCHMSA-N 457.596 3.189 10 40 JGCB COc1ccc(N2CCN(C(=O)CCCN(c3cc(C)ccc3C)S(C)(=O)=O)CC2)cc1 408706046 UBNPPANABRFGSH-UHFFFAOYSA-N 459.612 3.207 10 40 JGCB O=C(O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 409069060 UQTLYMAMJBCALB-LFYBBSHMSA-N 480.216 3.031 10 40 JGCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)OC(C)C)cc2)C(=O)NC1=S 409187544 RSGUNMNIXRZNPS-CPNJWEJPSA-N 452.532 3.411 10 40 JGCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 8890380 UBJXCBXRXCWVMR-HHHXNRCGSA-N 471.513 3.442 10 40 JGCB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ncc(-c2ccccc2)n1C 9126813 IXWXZGMMPRJCGN-UHFFFAOYSA-N 486.619 3.147 10 40 JGCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)c3ccc(O)cc3O)c2C)c1 21178615 GFXGDUYNYQHESN-UHFFFAOYSA-N 481.457 3.118 10 40 JGCB CC(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 22735322 BSNSWVCGDUCDIO-AREMUKBSSA-N 477.653 3.236 10 40 JGCB Cc1ccccc1NC(=O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] 33720807 YDFFOGLBVXPSGU-RGEXLXHISA-N 472.457 3.382 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 409071226 QAAKEZHXMAFNOO-XMHGGMMESA-N 478.482 3.129 10 40 JGCB Cc1ccc(CN(C)CC(=O)c2cc(C)n(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)o1 12557434 VIABNNRNOWWBMG-UHFFFAOYSA-N 485.606 3.331 10 40 JGCB COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1F 33735599 IVRKYURTMDFCIS-NBVRZTHBSA-N 461.449 3.313 10 40 JGCB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2O)cc1 89365600 QIYCLMZSPUCAAZ-UHFFFAOYSA-N 471.491 3.064 10 40 JGCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(C(=O)N4CCCCCC4)c3)CC2)cc1 408693383 RHVKJAYYILKRIK-UHFFFAOYSA-N 487.622 3.231 10 40 JGCB COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 408874297 AYYKSFZDBXYJAG-CXUHLZMHSA-N 462.243 3.275 10 40 JGCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)O 408981680 CJSFEYLRPUKYBK-ACAGNQJTSA-N 479.272 3.440 10 40 JGCB CC(C)[C@H](NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21)C(=O)O 1565524204 FPUSHPYGACITLB-ZCYQVOJMSA-N 474.561 3.404 10 40 JGCB COc1cc([C@H]2C[C@]3(CC(C)(C)NC(=S)N3)Oc3c2ccc(O)c3O)cc(OC)c1OC 888810 JFFYDFDSIXHFPC-QKFKETGDSA-N 460.552 3.381 10 40 JGCB COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1 8798999 UHKPGOYQPASXMH-JOCHJYFZSA-N 459.612 3.202 10 40 JGCB COc1ccc(N2CCN(C(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C)C5)CC2)cc1 21882435 QXSYEOFJWRRJHK-INIZCTEOSA-N 466.607 3.399 10 40 JGCB C/C(NCc1ccc(S(N)(=O)=O)cc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 113469003 XYFBKBMJFLRYJY-JWGURIENSA-N 491.529 3.057 10 40 JGCB CCc1ccc([C@@H]2CC(c3ccc(O)cc3)=NN2C2=NC(=O)[C@@H](CC(=O)N[C@H](C)C(=O)O)S2)cc1 252498454 RCLRMULGNWZCSF-PUCZYUMASA-N 494.573 3.083 10 40 JGCB Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(I)c3)C(=O)NC2=S)c(C)c1 408962841 KBVARSSJFDHIJT-MDWZMJQESA-N 478.311 3.445 10 40 JGCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N(C)C)nc12 2374636 CWZNGEUTUNOKCJ-ZDLGFXPLSA-N 480.571 3.199 10 40 JGCB COc1cccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 18100088 VMKMGFPFYITLHQ-FDFHNCONSA-N 453.450 3.390 10 40 JGCB biogenic CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 23291274 QKFVRSGYNXDHRY-SFHVURJKSA-N 493.651 3.105 10 40 JGCB Cc1cc(C(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccc2c(c1)OCCO2 35400195 JKDAJCUFZGZMJF-UHFFFAOYSA-N 458.518 3.417 10 40 JGCB COC(=O)C[C@H](c1ccc(O)cc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96114333 GDOHSEKVIMUCKH-CQSZACIVSA-N 480.425 3.389 10 40 JGCB biogenic CC1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)CC1 1464540 ANMXAIKGHWJNJF-HZGBGQKMSA-N 470.620 3.311 10 40 JGCB CC(/C=C1\SC(=S)N(CCCC(=O)NCCCN2CCOCC2)C1=O)=C\c1ccccc1 8820579 QCPFFLTVHMEHKX-YZUVIAEVSA-N 473.664 3.453 10 40 JGCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)N2CCc3ccccc32)cc1 10188441 XAEGFGJFSRTLAX-QHCPKHFHSA-N 472.545 3.340 10 40 JGCB O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C/c1ccc(O)c([N+](=O)[O-])c1 36213205 LETJXKGJEHKCNH-LDADJPATSA-N 455.452 3.001 10 40 JGCB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 225356926 WVVCMQMRWMGESS-BWAHOGKJSA-N 458.562 3.427 10 40 JGCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c(OC)c1OC 2280076 GYUPBMXSAYOUTI-ZROIWOOFSA-N 450.369 3.398 10 40 JGCB CN(C)CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1 8820268 SPGYPMNJIOMPFZ-NBVRZTHBSA-N 473.576 3.228 10 40 JGCB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c(OC)c1 9138239 GGKTULJQFPVSLN-XMMPIXPASA-N 480.609 3.368 10 40 JGCB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1 10113326 JFPQLYMRWCGEJX-UHFFFAOYSA-N 483.565 3.174 10 40 JGCB COC(=O)C[C@@H](c1cnn(C)c1C)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96220945 JZMMZYPAGLFJCV-AWEZNQCLSA-N 450.447 3.314 10 40 JGCB biogenic Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 8747631 WNSOCEYWCZQCFI-UHFFFAOYSA-N 481.574 3.012 10 40 JGCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 9468835 GYFHWWBWTKLYHB-HSZRJFAPSA-N 471.623 3.359 10 40 JGCB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1OC 8799009 GDQUWAJNZBDLHI-QFIPXVFZSA-N 459.612 3.202 10 40 JGCB O=C(/C=C/c1ccc(N2CCCCCC2)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 9339369 LZTIKFCZBZPUPC-JXMROGBWSA-N 477.634 3.494 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)Cc3n[nH]c(=O)c4ccccc34)c2C)cc1 10072927 MFWBLLNYPTWZPZ-UHFFFAOYSA-N 473.485 3.086 10 40 JGCB C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C=[N+]=[N-] 15722345 RYXAYZBFIBMXRV-GKVSMKOHSA-N 498.539 3.216 10 40 JGCB CN1CCN([C@H](CNC(=O)c2cccc(Br)c2)c2ccc3c(c2)CCN3C)CC1 22733721 BCFVFJKSMSKTTC-JOCHJYFZSA-N 457.416 3.160 10 40 JGCB CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 409012033 INMQDFIZECIYTK-LTGZKZEYSA-N 450.564 3.138 10 40 JGCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)N2CCc3ccccc32)cc1 10188442 MYKQDEBGGJRSCH-XMMPIXPASA-N 486.572 3.383 10 40 JGCB CN(C)c1ccc(CN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)[C@H]2CCS(=O)(=O)C2)cc1 21786291 OUOKOHFWFGEUAZ-FQEVSTJZSA-N 497.573 3.008 10 40 JGCB CC(=O)Nc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)cc1 23385510 KYBWGJHRDVICCY-MRXNPFEDSA-N 477.608 3.295 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3OC)C(=O)NC2=S)c(OC)c1 409108525 UWYLKXCUZRGRHJ-LDADJPATSA-N 467.547 3.144 10 40 JGCB COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19584902 JBGYSLNZBCIAIR-GOIZPCHYSA-N 469.541 3.271 10 40 JGCB C/C(NCCc1ccc(S(N)(=O)=O)cc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 20287983 GEMRPPGCEVYTGH-NKFKGCMQSA-N 460.559 3.191 10 40 JGCB CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C(C)C)C2=O)CC1 9012976 WYVRJOTXCNISJF-LGMDPLHJSA-N 486.619 3.084 10 40 JGCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Br)c(O)cc1O 32194001 DENCRQBRQNSFLE-NYYWCZLTSA-N 498.152 3.454 10 40 JGCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)c1 408534772 WVMUVFDJRPOTHF-HMMYKYKNSA-N 482.562 3.057 10 40 JGCB CCOC(=O)[C@H]1[C@@H](c2ccc(N(CC)Cc3ccccc3)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 8432893 NJFALYBTULVSER-KNKQGSTJSA-N 465.472 3.497 10 40 JGCB CC[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716418 YLWCWIIYPVSENU-HSZRJFAPSA-N 459.612 3.205 10 40 JGCB COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 409211625 MDWQIMSJAAZLLQ-NTUHNPAUSA-N 476.239 3.041 10 40 JGCB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)/C=C/c2ccc(N3CCCCCC3)cc2)CC1 9117912 QRYHJVNEYYHLBK-FMIVXFBMSA-N 472.611 3.218 10 40 JGCB Cc1ccc(-n2c(C)cc(C(=O)Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)c2C)cc1 12609011 LQPDIJNNAANDHX-UHFFFAOYSA-N 453.564 3.232 10 40 JGCB COc1ccc(N2CCN([C@H](CNC(=O)NC(C)(C)C)c3ccc4c(c3)OCO4)CC2)cc1 22851360 PARWIZWTDHCPPE-OAQYLSRUSA-N 454.571 3.385 10 40 JGCB COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 229939479 JBGYSLNZBCIAIR-CBUXHAPBSA-N 469.541 3.271 10 40 JGCB COc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc1OC 18266876 SAYDYYCTSDEPKJ-VJBWXMMDSA-N 483.476 3.399 10 40 JGCB COC(=O)[C@@]1(CCSC)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 20150598 SXKUDXNGNIIOFW-VWEIPLKFSA-N 485.581 3.007 10 40 JGCB COC(=O)[C@@]1(CCSC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 100421152 SXKUDXNGNIIOFW-UKDJSQQHSA-N 485.581 3.007 10 40 JGCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccc2c(c1)n(C)c(=O)n2C 102580547 GKRQBRHVEUOKNT-MHWRWJLKSA-N 472.286 3.288 10 40 JGCB Cc1cc(Br)ccc1NC(=O)N/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 408526758 CHXKNWNLFJZEHY-GXDHUFHOSA-N 457.284 3.354 10 40 JGCB O=C(CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(C(=O)O)c(O)c1 27530506 GGMMNBODULCFQO-GIJQJNRQSA-N 486.527 3.439 10 40 JGCB O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)c([N+](=O)[O-])c1 95531962 SPBHKIKKXSVCFK-QHAWAJNXSA-N 486.411 3.429 10 40 JGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3[nH]c(O)nc3cc2Br)C1=O 408530084 IPLJLSIEUPHVRT-PKNBQFBNSA-N 470.283 3.172 10 40 JGCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O)Nc1ccccc1F 409131120 NEQFPOSERGEMQH-UNOMPAQXSA-N 459.474 3.476 10 40 JGCB Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)NC1=S 9262463 FLXSYQDXBOVYIA-AQTBWJFISA-N 486.391 3.425 10 40 JGCB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc(N2CCCCC2)cc1 10113244 PPSGNCVGOQBWGJ-UHFFFAOYSA-N 457.596 3.400 10 40 JGCB Cc1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/c4cccc([N+](=O)[O-])c4)SC3=S)C2=O)cc1 100864346 ANUFPEQPXORHSO-FNTDYBJHSA-N 453.501 3.437 10 40 JGCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(I)o2)C(=O)NC1=S 408754518 NRVNYONVBGGDOV-FMIVXFBMSA-N 452.273 3.278 10 40 JGCB CCN1C(=O)C(=Cc2cc(Br)c(I)o2)C(=O)N(CC)C1=S 408955252 WPWKDTVIUVHFSM-UHFFFAOYSA-N 483.125 3.026 10 40 JGCB O=C(O)CCN1C(=O)/C(=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 2244887 DGIXYDXAKZEXFA-PTNGSMBKSA-N 471.491 3.302 10 40 JGCB Cc1c(CC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)c(=O)oc2c(O)c(O)ccc12 208211166 RIUHVCNJKHMQAL-KUIWHINRSA-N 464.562 3.477 10 40 JGCB CCN(CC)c1ccc(CNC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 223073894 HNZNADPVEWDWHG-UHFFFAOYSA-N 453.992 3.277 10 40 JGCB O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 17200489 WZJRYJVKTXSVHU-UHFFFAOYSA-N 460.511 3.499 10 40 JGCB COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)Nc3ccc(C)cc3)CC2)cc1 22698761 YSWPZMGHZSUTHE-UHFFFAOYSA-N 476.577 3.135 10 40 JGCB COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 16694900 SFPAANQKBZDLSG-BPKVKKHESA-N 492.487 3.383 10 40 JGCB COc1ccc(N2CCN(Cc3nc(N)nc(Nc4cc(Cl)ccc4OC)n3)CC2)cc1 54146982 HMVYWIHIERUZEB-UHFFFAOYSA-N 455.950 3.190 10 40 JGCB O=C(COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)N1CCOCC1 408573703 JXSOPZGQBOCVHU-PGMHBOJBSA-N 468.600 3.368 10 40 JGCB CCOc1ccccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408670826 YFZGVSCVOLCXGX-VWPQPMDRSA-N 476.529 3.130 10 40 JGCB COc1ccc(N2CCN(c3ccnc(N4CCN(c5ccc(OC)cc5)CC4)n3)CC2)cc1 9127245 WWAUCXLFUWYTDC-UHFFFAOYSA-N 460.582 3.147 10 40 JGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N3CCCCC3)C2=O)cc1 408529237 HGZYNRZCQCEPEB-SAPNQHFASA-N 490.520 3.236 10 40 JGCB CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OCC 408692292 JEPZOUZJQZCYGL-OQLLNIDSSA-N 464.902 3.085 10 40 JGCB CCOC(=O)[C@H]1[C@H](c2ccc(N(CC)Cc3ccccc3)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 8432894 NJFALYBTULVSER-DXIQSLLYSA-N 465.472 3.497 10 40 JGCB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(S(=O)(=O)NCc4ccccc4)c3)CC2)cc1 9668706 ZXDOXFNHTKHIKN-UHFFFAOYSA-N 495.601 3.145 10 40 JGCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1 13551780 XQGIRIPJSJRQKF-GZTJUZNOSA-N 460.398 3.128 10 40 JGCB CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@@H]1/N=N\c1ccc(S(=O)(=O)Nc2ccccn2)cc1 100334465 HMMJBTDPNPTRQK-ZELGORGJSA-N 492.517 3.301 10 40 JGCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1ccc(O)cc1 112295928 SKHQGPKRJGVYNK-STZFKDTASA-N 450.520 3.374 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)O 408778322 DLKRNPMCSKXICP-AWNIVKPZSA-N 465.245 3.132 10 40 JGCB COc1ccc(CCN2C(=O)/C(=C3/C(=O)N(C(C)=O)c4ccccc43)SC2=S)cc1OC 8821620 CASYKAHAHKZXQE-VXPUYCOJSA-N 468.556 3.411 10 40 JGCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cccn3-c3cccc(C(F)(F)F)c3)C(=N)N21 20211406 WEEIFKAGRHOEIS-KGTMCUFJSA-N 467.454 3.117 10 40 JGCB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(Cl)cc1 408661293 MIKIRXXYBMOIOR-HBMCJLEFSA-N 466.921 3.384 10 40 JGCB Cc1c(N2C(=O)/C(=C3\C(=O)N(C)c4ccccc43)SC2=S)c(=O)n(-c2ccccc2)n1C 1229680 NBSUOWOHLAZQSJ-HTXNQAPBSA-N 462.556 3.237 10 40 JGCB Cc1cc(C(=O)CSc2nnc(NC3CC3)s2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 8706908 XYNFUAKEBYRRFK-UHFFFAOYSA-N 463.610 3.142 10 40 JGCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(O)c(C(=O)O)c2)C1=O 8819356 OMVNBXVFPFRQJB-YVLHZVERSA-N 458.517 3.329 10 40 JGCB O=C1[C@H]2[C@H](c3ccccc3O)N[C@@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C(=O)N1c1ccccc1 9187264 WQBAYKGKHMVHQK-YIIHUHPWSA-N 481.508 3.390 10 40 JGCB COCCCN1C(=O)/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 9347657 NAKOYDQGKQOCOF-OWBBTNHHSA-N 496.614 3.078 10 40 JGCB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccc(N2CCOCC2)cc1 13648850 OMGNGRQLWSTEQD-UHFFFAOYSA-N 487.622 3.027 10 40 JGCB CCN1C(=O)/C(=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 33592457 VUXBPMFJSVGRAJ-MNQDVBFDSA-N 499.633 3.212 10 40 JGCB C[N+]1(C[C@H](O)COc2ccc(Nc3ccc(N)c4c3C(=O)c3ccccc3C4=O)cc2)CCOCC1 4824628 KEFIROKCYRNIIG-IBGZPJMESA-O 488.564 3.004 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(Br)cc1O 12630291 HGRZUIRABVPPKL-LFYBBSHMSA-N 451.273 3.134 10 40 JGCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)N3CCOCC3)ccc21 21887167 OIXJVASDYZWKJZ-JOCHJYFZSA-N 490.526 3.216 10 40 JGCB COCCCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)C(C(=O)OC)=C1C 32124553 REEQKSAADPANLY-KQWNVCNZSA-N 494.544 3.422 10 40 JGCB COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCCC3=CCCCC3)c3ccco3)CC2)cc1 56946097 WBKWNBGFUXDGEO-DEOSSOPVSA-N 480.609 3.274 10 40 JGCB COc1ccc(N2CCN(C(=O)CN(c3ccccc3F)S(=O)(=O)c3ccccc3)CC2)cc1 408926103 OQSFLGSOWJMNHA-UHFFFAOYSA-N 483.565 3.378 10 40 JGCB COc1ccc(N2CCN(C(=O)[C@@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)CC2)cc1 13680985 FFJOPBJUUJCXOS-QGZVFWFLSA-N 466.003 3.160 10 40 JGCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1ccc(C(=O)O)c(O)c1 16160740 KNNQFOCNSCEWPF-DHDCSXOGSA-N 463.231 3.414 10 40 JGCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc1ccccc1Cl 41077956 FKWAHCRRUKBGDD-UHFFFAOYSA-N 467.330 3.374 10 40 JGCB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1C 408912432 QSQLGONYGCJQIP-VXLYETTFSA-N 487.468 3.496 10 40 JGCB CCCCN1C(=O)[C@H]2[C@H](c3cc(Br)ccc3O)N[C@@](CC(C)C)(C(=O)O)[C@@H]2C1=O 4127150 GSEQTUNUCZMITJ-MXTNKPTQSA-N 467.360 3.070 10 40 JGCB CC1=C2[C@@H](CCS2(=O)=O)[C@]2([S@@](=O)Cc3ccccc3)C(=O)c3ccccc3C(=O)[C@@H]2C1 13756002 VNNLTWNZHDGZPB-IHMPRBIOSA-N 454.569 3.482 10 40 JGCB CCN1C(=O)C(=Cc2cc(Br)cc(Br)c2O)C(=O)N(CC)C1=S 16681448 GCOZBTVTQCZZEN-UHFFFAOYSA-N 462.163 3.296 10 40 JGCB CCOC(=O)[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] 34735841 MOKRXLVHXGTRPX-YUSFRKCESA-N 459.842 3.040 10 40 JGCB COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 108894333 OYEQAWBJLFKRJQ-ZHZULCJRSA-N 487.468 3.085 10 40 JGCB CC[C@@]1(C(=O)O)N[C@@H](c2ccc(OC)cc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21 8869799 CPIOMSQHTINNCB-OYSWMMLKSA-N 460.486 3.238 10 40 JGCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1cccc(F)c1 408886190 FBMKLZJFIPRSCR-UHFFFAOYSA-N 465.300 3.090 10 40 JGCB Cc1cc(C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c(C)n1-c1ccc2c(c1)OCO2 9726458 XWTRTTDFFLTYPF-HNNXBMFYSA-N 489.575 3.158 10 40 JGCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OC 13751253 JHYDBYHOPJKCAC-YBEGLDIGSA-N 475.504 3.167 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(F)c1 33562226 NANKASYZUBIRMD-NDENLUEZSA-N 461.449 3.313 10 40 JGCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(O)c(I)c3)C(=O)NC2=S)cc1 408905433 YMWQHGZHXXUPSK-NTEUORMPSA-N 494.310 3.227 10 40 JGCB COc1cc([C@H]2C[C@@]3(CC(C)(C)NC(=S)N3)Oc3c2ccc(O)c3O)cc(OC)c1OC 888812 JFFYDFDSIXHFPC-FATZIPQQSA-N 460.552 3.381 10 40 JGCB COc1ccc(N2CCN(CC(=O)NCC3(c4ccc5c(c4)OCCO5)CCCC3)CC2)cc1 12591878 QBGOEGVIMLLJLE-UHFFFAOYSA-N 465.594 3.217 10 40 JGCB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1 13079233 KYNWLAPCBCYMCV-UHFFFAOYSA-N 478.523 3.445 10 40 JGCB CC1=C2[C@H](CCS2(=O)=O)[C@]2([S@](=O)Cc3ccccc3)C(=O)c3ccccc3C(=O)[C@H]2C1 239425955 VNNLTWNZHDGZPB-WMANINMSSA-N 454.569 3.482 10 40 JGCB C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)C[C@H](C)O1 8858032 NGBRNIWBBPBCIW-AXLWBGBUSA-N 482.587 3.303 10 40 JGCB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(F)cc2)cc1 10113338 GNMLOQMUICHDAG-UHFFFAOYSA-N 497.592 3.482 10 40 JGCB C[C@@H]1[C@H](N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)C(=O)N(c2ccccc2)N1C 11582579 ZMNOZDDFSPGCQV-DNOFAQFXSA-N 454.533 3.447 10 40 JGCB COc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCCCC4)c3)CC2)cc1 89444264 KOMKHQYOOUKDPY-UHFFFAOYSA-N 457.596 3.222 10 40 JGCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NCCN1CCN(C(=O)c2ccccc2)CC1 100111190 BCJVTYBJCXPGQV-FCDQGJHFSA-N 463.557 3.260 10 40 JGCB CCC(=O)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC 408536829 SPAWWPIBHUROJK-GDNBJRDFSA-N 473.279 3.440 10 40 JGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC)c([N+](=O)[O-])c3)C2=O)cc1 408739283 AXOXBKVFCFFFEU-RIYZIHGNSA-N 490.266 3.431 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 409069572 JTCHBWFWEREZDS-CPNJWEJPSA-N 496.472 3.268 10 40 JGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1I 409245355 RMFWLHRAVCDUAC-UKTHLTGXSA-N 478.311 3.440 10 40 JGCB CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c1C 41084382 ZWAYOAQUACGLIB-OCTOJFLBSA-N 478.578 3.402 10 40 JGCB COc1ccc(N2CCN(C(=O)CN(Cc3ccco3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 12553645 MTCTYIJPJPVWGS-UHFFFAOYSA-N 483.590 3.136 10 40 JGCB CC[C@H](CO)Nc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O 16805877 UEZHNAFEJAVGJM-SQFNAUOLSA-N 480.615 3.321 10 40 JGCB CCN(CC)c1ccc(/C=C2/C(=O)N=C(O)N(c3ccc(N(CC)CCO)cc3)C2=O)cc1 17250781 PPEGGFBYCXHYDI-XLNRJJMWSA-N 450.539 3.222 10 40 JGCB COc1c(/C=C2/C(=O)N(c3ccccc3C)C(=O)N=C2O)c(CCN(C)C(C)=O)cc2c1OCO2 33685765 XHLNFGQJSROEDP-LDADJPATSA-N 479.489 3.260 10 40 JGCB biogenic COC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(C(=O)OC)o4)C3=O)c2C)c1 110215954 OEZCPIQEIXTKEK-NDENLUEZSA-N 477.473 3.353 10 40 JGCB COc1ccccc1NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 409377213 FSECHVUSQXOURC-ZHZULCJRSA-N 487.468 3.085 10 40 JGCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N=C(O)N(c3ccc4c(c3)OCO4)C2=O)o1 15799433 HXQOPRWUMDQLCQ-MHWRWJLKSA-N 477.385 3.463 10 40 JGCB COc1ccc(N2CCN(c3nc(-c4cnc(N5CCC(C)CC5)nc4C)cc(=O)[nH]3)CC2)cc1 39383722 PQCHLTDQPQYHNB-UHFFFAOYSA-N 475.597 3.107 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OC)C(=O)NC2=S)c(OC)c1 409067058 NPOSAVMBKXOQKP-NTEUORMPSA-N 477.336 3.306 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(Br)c1OC(C)C 409393566 QRMIVAAELXIXFX-RIYZIHGNSA-N 460.284 3.306 10 40 JGCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCN(C)CC3)C2=O)cc1OC 20227395 UXJARAQHXWOFLB-SILNSSARSA-N 477.652 3.239 10 40 JGCB COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O 9310961 XYVDICYPTOKBNJ-NTUHNPAUSA-N 451.660 3.483 10 40 JGCB CCN(CC)c1ccc(/C=c2/sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3c2=O)cc1 15015203 HVLCNDNLSOXZBH-UDWIEESQSA-N 466.563 3.238 10 40 JGCB CCC1=NN2C(=N)/C(=C/c3ccccc3OS(=O)(=O)c3ccccc3[N+](=O)[O-])C(=O)N=C2S1 33148376 IBNYSKOGVDKQKB-IAINSTQXSA-N 485.503 3.392 10 40 JGCB COc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 100672369 LWIKTGSKAFPMNH-FDFHNCONSA-N 453.450 3.390 10 40 JGCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 103920229 FPLIEPQWZXFUOS-BKUYFWCQSA-N 483.452 3.051 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408882861 PESAEDSRVFUOHU-UHFFFAOYSA-N 461.883 3.140 10 40 JGCB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 408892530 CEIKBGODSVGMCD-HMMYKYKNSA-N 462.483 3.429 10 40 JGCB Cc1ccc(NC(=O)COc2c(Cl)cc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)c(C)c1 409252343 DFSIWJCGGRDWKX-UHFFFAOYSA-N 462.289 3.377 10 40 JGCB CCOC(=O)c1oc2c(CN3CCN(C)CC3)c(O)ccc2c(=O)c1-c1ccc(OC)cc1 19682134 UPYYDKCLUGHWGK-UHFFFAOYSA-N 452.507 3.098 10 40 JGCB biogenic Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1Cl 22735300 INCDUYDNENYONW-XMMPIXPASA-N 484.044 3.074 10 40 JGCB CCc1ccccc1NC(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408653639 ACWDTOBFXPORHW-FUPPJEDESA-N 460.530 3.293 10 40 JGCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2 408843862 GAAJCBKIAYVXOE-WTKPLQERSA-N 466.258 3.462 10 40 JGCB COc1cccc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)c2ccco2)c1O 9517151 HUTNJAAZUQTULG-GOSISDBHSA-N 455.492 3.357 10 40 JGCB COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccc5c(c4)OCO5)C3=O)c2C)cc1 9847435 WHPGSTWWJUYPJE-AREMUKBSSA-N 475.501 3.481 10 40 JGCB CCOC(=O)[C@](NC(=O)c1ccccc1)(N1CCN(c2ccc(OC)cc2)CC1)C(F)(F)F 20792612 VSXIPHRINHPCBO-QFIPXVFZSA-N 465.472 3.069 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3ccccc3I)C(=O)NC2=S)cc1 408552422 TZSUOICXFRNTRZ-GXDHUFHOSA-N 464.284 3.131 10 40 JGCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)c1 409223071 YRPDOBBPQZHSQX-FYJGNVAPSA-N 458.474 3.332 10 40 JGCB O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1CCc1ccccc1 4199243 XEEDXIZDTUTCLW-XPWALMASSA-N 451.478 3.420 10 40 JGCB COc1ccc(N2CCN3c4cc(Cl)ccc4CC4(C(=O)OC(C)(C)OC4=O)[C@@H]3C2)cc1 8773660 AVBDJXUBMUCWAQ-FQEVSTJZSA-N 456.926 3.422 10 40 JGCB COc1ccc(N2CCN(C(=O)C[C@@H]3SC(=S)N(Cc4ccccc4)C3=O)CC2)cc1 8814389 PFIWIAQZRJXPNC-FQEVSTJZSA-N 455.605 3.163 10 40 JGCB COC(=O)C1CCN(C(=O)COC(=O)c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)CC1 9767141 CCIAOTPPENWIDC-UHFFFAOYSA-N 462.930 3.325 10 40 JGCB CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC 35078466 WJEOCHHNWJDFII-YBEGLDIGSA-N 489.322 3.251 10 40 JGCB COc1ccccc1NN/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 408528736 IDOQCIFFJAQSRS-JLHYYAGUSA-N 459.300 3.158 10 40 JGCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 408904365 IISFGHMKJWJFKL-UHFFFAOYSA-N 491.928 3.104 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O[C@H](C)C(=O)O 2891794 NCUORUYWMBAJAU-CLXYIWAZSA-N 468.531 3.385 10 40 JGCB Cc1ccccc1N1C(=O)N=C(O)/C(=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)C1=O 9057514 AHJLPKIUNOKPEF-SFQUDFHCSA-N 451.460 3.409 10 40 JGCB CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccc(Cl)cc3)N3CCCC3)ccc21 9135497 FTLZGOHMMFIRSM-QHCPKHFHSA-N 455.002 3.292 10 40 JGCB CCCCN1C(=O)[C@@H]2[C@@H](c3cc(Br)ccc3O)N[C@@](CC(C)C)(C(=O)O)[C@@H]2C1=O 19848863 GSEQTUNUCZMITJ-ZGPJWRFFSA-N 467.360 3.070 10 40 JGCB CN1CCN([C@H](CNC(=O)c2ccccc2Br)c2ccc3c(c2)CCN3C)CC1 22733763 AEQBJQMABLVCDK-JOCHJYFZSA-N 457.416 3.160 10 40 JGCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1O 223142216 RAMRJEJYAURZSD-LOSJGSFVSA-N 477.634 3.499 10 40 JGCB COCCN1C(=O)/C(=C\c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)C(C(=O)OC)=C1C 409001970 LFLDHNCDJBKZEI-PAJXCOJRSA-N 478.545 3.262 10 40 JGCB COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1OC 409021717 UWAYEXYZXDVART-AWNIVKPZSA-N 465.300 3.437 10 40 JGCB CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 19501997 NGTFSTOWJQOHNB-YGWSKSRPSA-N 467.541 3.444 10 40 JGCB Cc1ccc2nc(NCC(C)C)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 2256205 SNDMPEXPVFNTEA-MBBOSUJBSA-N 458.609 3.451 10 40 JGCB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)NCCN1C(=O)CSC1=S 9283789 PNUHXZXZGRMNNE-UHFFFAOYSA-N 471.585 3.097 10 40 JGCB Cc1cc(/N=N\c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(N)c3c2O)ccc1O 100471668 CZHGAMWGHXFLPX-VXPUYCOJSA-N 453.454 3.050 10 40 JGCB COc1cc([N+](=O)[O-])ccc1/N=N\c1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1O 104177173 LJCLJTFFIGIRAA-HNENSFHCSA-N 483.436 3.371 10 40 JGCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OC(C)C)C2=O)cc1 408807767 ORDALZDOHDXCHP-XDHOZWIPSA-N 452.463 3.326 10 40 JGCB CCN1C(=O)/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2396596 VYYDCDJOMBDWJO-KMTKGMGQSA-N 466.588 3.370 10 40 JGCB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1OCC 408987138 DQQWRWXZFHVYRA-LDADJPATSA-N 468.531 3.167 10 40 JGCB COc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCN(CCO)CC4)c(O)ccc3c2=O)cc1 20392581 ZOVVQKMQFSGUOE-UHFFFAOYSA-N 494.466 3.428 10 40 JGCB biogenic COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCc3ccc(Cl)cc3)c3ccco3)CC2)cc1 56945971 SWKTVAYMFWWZCI-QHCPKHFHSA-N 496.995 3.238 10 40 JGCB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCC(=O)NCCN5C(=O)CSC5=S)(C4)C2)C3)cc1 102403147 DRGJLUHQANVFQL-LYBIEXDWSA-N 486.659 3.353 10 40 JGCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409043937 AFNNRFUDYQGTQX-UHFFFAOYSA-N 452.275 3.395 10 40 JGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1CN1C(=O)c2ccccc2C1=O 9186643 YFWBXEATEVJJMR-KGENOOAVSA-N 495.491 3.466 10 40 JGCB Cc1noc(C)c1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 9465500 DSYZVQFVZWKFQM-UHFFFAOYSA-N 479.536 3.054 10 40 JGCB CCOc1cc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)cc(I)c1O 32109831 IMPJQDWVMYJJKY-ZSOIEALJSA-N 464.259 3.165 10 40 JGCB COc1ccccc1NC(=O)[C@@H](/N=N\c1cccc(S(=O)(=O)Nc2nncs2)c1)C(C)=O 104123839 CLUFLVVIKVLHIG-ANZZGNCFSA-N 474.524 3.028 10 40 JGCB CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1Cl 409352254 WXTZGVOHLDUXIB-VZUCSPMQSA-N 450.321 3.221 10 40 JGCB Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 9748427 GACHAEVCQMDMNJ-UHFFFAOYSA-N 479.514 3.101 10 40 JGCB CCCOc1c(I)cc(/C=C2\SC(NC(C)=O)=NC2=O)cc1OC 9762529 IDJIDOUGDFGKGU-JYRVWZFOSA-N 460.293 3.195 10 40 JGCB CCOc1ccccc1Oc1c(C)oc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O 20412385 LQZIVTQTCDBQGU-UHFFFAOYSA-N 454.523 3.108 10 40 JGCB biogenic O=C(N[C@H](Cc1cnc[nH]1)C(=O)O)c1ccc(N2C(=O)/C(=C/c3ccco3)N=C2c2ccccc2)cc1 36692411 VBXDMHZQIWFGDS-XUKJQLKWSA-N 495.495 3.263 10 40 JGCB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc21 408529616 IQUGMZMVPKQMBY-LZYBPNLTSA-N 471.476 3.099 10 40 JGCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(I)o3)SC2=S)cc1 409344211 ICFXCWAFJKYNSJ-WQLSENKSSA-N 486.312 3.439 10 40 JGCB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1)S(C)(=O)=O 13648839 IBBYPMOOAUEGOZ-MRXNPFEDSA-N 466.003 3.420 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc([N+](=O)[O-])c1O 408722995 PFNVAXHYSWOLMA-ONNFQVAWSA-N 468.274 3.447 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1 409039269 CDJDMWLXEWBSLB-XSFVSMFZSA-N 471.469 3.379 10 40 JGCB O=C(COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccc2c(c1)OCO2 9464997 BEZMFBPSVDMQKT-UHFFFAOYSA-N 459.366 3.139 10 40 JGCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(=O)O 33525540 GLXOZHYOLAYUMU-JYRVWZFOSA-N 495.713 3.426 10 40 JGCB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408654224 AVGVTKMEYJSZAS-ZJOUEHCJSA-N 496.947 3.393 10 40 JGCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(I)o1 6997568 UZLQMTQEYWGCCO-XFFZJAGNSA-N 458.664 3.369 10 40 JGCB CCN(Cc1ccc(N(C)C)cc1)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9868923 HYXJASYNGSSQAC-LJQANCHMSA-N 458.628 3.386 10 40 JGCB COCCN1C(=O)/C(=C\NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)C(=O)NC1=S 102908526 VZCIRQHGKUHDTA-NFBGKYEXSA-N 482.993 3.316 10 40 JGCB COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1OC 408785551 HIEDKHYHYLKUDX-OQLLNIDSSA-N 492.269 3.283 10 40 JGCB O=C1NC(=O)C(=Cc2cc(Cl)cc(Cl)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1 409088556 KIVLOKWLUPEJFF-UHFFFAOYSA-N 467.177 3.352 10 40 JGCB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1Cl 4509070 OOGWFYZIHAHLCZ-UBXANZILSA-N 467.978 3.128 10 40 JGCB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 9165356 RGSITOLLFFTQGC-VWLOTQADSA-N 477.609 3.309 10 40 JGCB O=C(COC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)c1ccccc1 9539798 ZQMLMJWFRHSFHD-UHFFFAOYSA-N 456.432 3.141 10 40 JGCB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1 13674175 UAONMIUDGHQLDI-UHFFFAOYSA-N 483.565 3.174 10 40 JGCB CN(C[C@H](O)c1ccc(O)cc1)C(=O)CCN1C(=O)/C(=C/c2ccccc2F)SC1=S 54360657 SAUAHTCFKHGNJT-IZILLXMLSA-N 460.552 3.315 10 40 JGCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=S)N(c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 13172076 UCVDTCLEXQYAMI-NBVRZTHBSA-N 484.578 3.302 10 40 JGCB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)o1 33380505 JSZNKLLYJXLJIF-WOJGMQOQSA-N 473.463 3.048 10 40 JGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1 409073337 MKYGYIRJSJCBEN-XMHGGMMESA-N 466.446 3.260 10 40 JGCB Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 409097221 NFTNSZQPQOMYJH-CPNJWEJPSA-N 470.323 3.261 10 40 JGCB CCOC(=O)N1CCN(C(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)CC1 8820446 LSNLOQOVOINKGS-CVCOPPNTSA-N 459.593 3.135 10 40 JGCB COc1ccc(N2CCN(C(=O)c3nnn(-c4ccccc4)c3CSc3ncccn3)CC2)cc1 23109148 SREGTPBOXDJIFL-UHFFFAOYSA-N 487.589 3.321 10 40 JGCB COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCCCc3ccccc3)c3ccco3)CC2)cc1 56946057 UQROSBVPLNARJD-RUZDIDTESA-N 490.604 3.017 10 40 JGCB CC[C@H](C)N1C(=O)/C(=C/c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 9020103 FCCZKXYOUQTQDB-SUCHYCSPSA-N 468.608 3.393 10 40 JGCB COC(=O)[C@@]1(Cc2ccc3c(c2)C=CC(C)(C)O3)OC(=O)C(OC)=C1c1ccc(O)c(O)c1 31162745 DHAXSUMTBBBFBJ-VWLOTQADSA-N 452.459 3.351 10 40 JGCB biogenic,in-vitro O=C(NN1C(=O)/C(=C/c2ccc(I)o2)SC1=S)c1ccccc1 40846760 AVTWDWNRNPRQFQ-FLIBITNWSA-N 456.286 3.430 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OC 408742660 XQIHHVCEZATIQQ-RIYZIHGNSA-N 492.269 3.283 10 40 JGCB CN1C(=O)C(=Cc2ccc(OCc3cccc(C(=O)O)c3)c(Br)c2)C(=O)N(C)C1=S 408905457 YSIIWHOOQHNMNV-UHFFFAOYSA-N 489.347 3.325 10 40 JGCB CCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 1450047 RFYZNBXLQPONQR-MNDPQUGUSA-N 477.615 3.242 10 40 JGCB CCCN1C(=O)/C(=C/c2c(N3CCC(C(=O)OCC)CC3)nc3ccccn3c2=O)SC1=S 1480762 YCBNCLXYIDTFIP-VKAVYKQESA-N 486.619 3.085 10 40 JGCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1 12565069 DDMGJNHVOMAFLB-VWLOTQADSA-N 454.590 3.222 10 40 JGCB CCN1/C(=c2/s/c(=C3\SC(=S)N(C)C3=O)n(-c3ccccc3)c2=O)C=Cc2ccccc21 100501660 MLFDSBWFLSFWMV-BMUZNATDSA-N 477.636 3.159 10 40 JGCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(I)o1 408956062 ZVAZJDJPKKHYQD-UXBLZVDNSA-N 487.047 3.313 10 40 JGCB CN(C)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1Br 409195090 TTWRFQOTDHXWAH-ZROIWOOFSA-N 474.336 3.045 10 40 JGCB CCOc1ccc(NC(=S)NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N(CC)CC)cc1 9373642 FXCUBDAVNDJYQO-UHFFFAOYSA-N 467.573 3.338 10 40 JGCB CN1CCCc2cc([C@@H](CNS(=O)(=O)c3ccc(Cl)cc3)N3CCOCC3)ccc21 22735490 HLPYDWDSVBCLKU-JOCHJYFZSA-N 450.004 3.074 10 40 JGCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1OC 8819396 XOZYPLHRQMRWSZ-LSCVHKIXSA-N 458.517 3.272 10 40 JGCB Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1Cc1ccccc1 103596421 RKODTNGYFUEDSI-ZQCYNNBZSA-N 490.589 3.021 10 40 JGCB COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br 408768542 GXOMPVLVSWEJGC-CXUHLZMHSA-N 487.306 3.284 10 40 JGCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC)c(OCC)c3)C2=O)cc1 408807460 CNVDTISJCKALCX-QGOAFFKASA-N 452.463 3.327 10 40 JGCB COc1ccc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)cc1 6038761 BUOKURPEUWRCIY-QNGOZBTKSA-N 492.513 3.075 10 40 JGCB Cc1cc(C(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)n1-c1ccccc1F 8622012 WQZGOYIIUWKFPB-UHFFFAOYSA-N 479.420 3.164 10 40 JGCB CC[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712345 CLBCANIOEFQROI-OAQYLSRUSA-N 466.003 3.242 10 40 JGCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(I)o1 36076697 SNRDHIGHEFRPBU-YRNVUSSQSA-N 487.047 3.313 10 40 JGCB C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(N2CCCCC2)cc1 225562863 WFSXAVUOTGURNR-IBGZPJMESA-N 457.596 3.189 10 40 JGCB COCCc1noc(CCn2c3c(c4ccc(OC)c(OC)c4c2=O)C(=O)c2ccccc2-3)n1 604405080 VVTJOOLGUJTWSX-UHFFFAOYSA-N 461.474 3.045 10 40 JGCB biogenic CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C2CCCC2)C1=O 1480739 NLCNGTPQVSWNSO-FMNVXAMXSA-N 458.609 3.330 10 40 JGCB CCN1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2263490 FPCKJCAXIUNSRH-WISAJEAXSA-N 452.561 3.061 10 40 JGCB Cc1cc(-n2c(C)cc(C(=O)COC(=O)CN3C(=O)NC(C)(C)C3=O)c2C)ccc1Br 9250521 AQPDSOMPAALJOQ-UHFFFAOYSA-N 490.354 3.221 10 40 JGCB COc1ccc(S(=O)(=O)N2CCN([C@@H](c3ccccc3)c3cc([N+](=O)[O-])ccc3O)CC2)cc1 32801333 OBGZQXFGZNRPOL-DEOSSOPVSA-N 483.546 3.405 10 40 JGCB Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c2ccccc2n1 8964145 HOKXSDUDFWKSNF-VWLOTQADSA-N 457.578 3.427 10 40 JGCB COc1ccc(CNC(=O)CSc2cc(N3CCN(c4ccc(OC)cc4)CC3)ncn2)cc1 49006859 UOIUBPRSRHJPDU-UHFFFAOYSA-N 479.606 3.229 10 40 JGCB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)c2)cc1 59536244 KLAYJIQRPWTEBC-QNGOZBTKSA-N 462.483 3.429 10 40 JGCB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCN(c2ccc(OC)cc2)[C@H](C)C1 61932210 RVEYCJJLEHCPEM-MRXNPFEDSA-N 466.538 3.121 10 40 JGCB O=[N+]([O-])c1cccc(/N=N\c2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)c1 104366686 DKKOAESQAFUSIQ-ZCXUNETKSA-N 453.410 3.362 10 40 JGCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1 409072178 JALOVVXACBKWCO-FYJGNVAPSA-N 458.426 3.336 10 40 JGCB CCN(CC)c1ccc(/C=c2\sc3nc(-c4cc(OC)c(OC)c(OC)c4)nn3c2=O)cc1 2395003 GFMOTYYMURONFG-NDENLUEZSA-N 466.563 3.238 10 40 JGCB CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)cc1 13574278 ZGAJTIGIGWBWOY-JMCWYTMQSA-N 471.564 3.114 10 40 JGCB CCN(CC)CCOC(=O)c1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 17247024 RKMHIVQVBASGHY-PGMHBOJBSA-N 480.590 3.237 10 40 JGCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408555909 ZWOGCPGPNLBIOE-UHFFFAOYSA-N 498.706 3.422 10 40 JGCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1cccc(C)c1 408878104 WOBXZAZZFNSSBO-UHFFFAOYSA-N 461.337 3.259 10 40 JGCB COCCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)C(C(=O)OC)=C1C 2076000 UEWWVVKRVOVORT-HKWRFOASSA-N 480.517 3.032 10 40 JGCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(NCCCn3ccnc3)nc12 5402131 GUWBSWDEVKEOLG-SFQUDFHCSA-N 468.608 3.311 10 40 JGCB COC(=O)C[C@H](c1cccnc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96114274 ZSASZHWOEMYPMB-CYBMUJFWSA-N 465.414 3.078 10 40 JGCB biogenic N=C1/C(=C/c2ccc(SCc3ccccc3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 103596548 DICLFRICWYKRNY-IFSHFEHQSA-N 495.586 3.440 10 40 JGCB COc1cccc(/C=C2/SC(=S)N(CCC(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C2=O)c1 16036759 CSFKLDGUXIUJHW-QPMAMFFCSA-N 495.626 3.094 10 40 JGCB CC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@H](CN=[N+]=[N-])[C@H](N=[N+]=[N-])[C@@H]1NC(=O)c1ccccc1 25692910 SPFNVFAVFSPQCN-VRRLNDPFSA-N 464.486 3.221 10 40 JGCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(C(=O)O)c1 409041133 IMRCUVWERCXNQJ-MOSHPQCFSA-N 458.426 3.336 10 40 JGCB CCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1Cl 8832690 XSVCSKNGXWFEER-UHFFFAOYSA-N 478.958 3.492 10 40 JGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(I)c3)C2=O)c1 9311367 CMYTTYQVEHHFKK-ZSOIEALJSA-N 462.243 3.280 10 40 JGCB CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3Cl)N3CCCCC3)ccc21 13008098 RIVULWZRQOSSMU-QHCPKHFHSA-N 455.002 3.292 10 40 JGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccccc2)c1 409073632 QSYYNMFPNWNKHA-ZHZULCJRSA-N 466.446 3.260 10 40 JGCB C[C@@H](OC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 9593827 VYBQHVKMZNMEFY-MRXNPFEDSA-N 459.454 3.343 10 40 JGCB COc1ccccc1C(=O)NN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S 11565582 XAJVBBOFBBUCEH-GZTJUZNOSA-N 460.533 3.267 10 40 JGCB CC(=O)Nc1ccc(/N=N\c2c(N)ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1 104366358 QQXVTEKGAYZFAX-DQRAZIAOSA-N 464.481 3.289 10 40 JGCB O=C(NN1C(=O)/C(=C/[C@H]2C(=O)Nc3ccc(Br)cc32)SC1=S)c1cccc(O)c1 8819054 PFSYGNIKHOXPAU-ATDKOCKZSA-N 490.360 3.280 10 40 JGCB CCN(CC)CCNC=C1C(=O)N(c2ccccc2OC)C(=S)N(c2ccccc2OC)C1=O 20024500 CYPQTRCVTRXCPH-UHFFFAOYSA-N 482.606 3.184 10 40 JGCB COc1cc([N+](=O)[O-])ccc1N/C=C1/C(=O)N(CCc2ccccc2)C(=O)N(C(C)C)C1=O 100296097 ISLISTDXOUPLOY-JXAWBTAJSA-N 452.467 3.341 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C2=O)cc1 2118457 KBAAVNZHBLMOHL-YAHSPCSVSA-N 495.626 3.094 10 40 JGCB CCN(CCO)C(=O)CCCCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 8820119 WBJDQDGOLCXXIA-SDXDJHTJSA-N 464.609 3.076 10 40 JGCB COc1ccc(CN2C(=O)[C@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100415103 FEWAORISZYGSDB-XPWALMASSA-N 467.477 3.386 10 40 JGCB COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1C 223599611 XUZABEKWQQEZMJ-VXKWHMMOSA-N 450.564 3.241 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc(Cl)c1OC 409191158 TYHCAOVTBRVDHI-RIYZIHGNSA-N 460.895 3.277 10 40 JGCB O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 13619198 QOAGSYVAUINEKY-WIWNTQSISA-N 450.519 3.243 10 40 JGCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 33382376 GUEWSKAVWCJEBA-YVLHZVERSA-N 459.911 3.473 10 40 JGCB Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/Nc3ccc(C(=O)O)c(O)c3)C2=O)cc1C 16267921 NERACJSKGYOKNG-JYRVWZFOSA-N 474.267 3.049 10 40 JGCB CCN(CC)CCC[C@H](C)N/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 20171345 TZZPMFNXUHSWLT-ZSRMJVKVSA-N 451.365 3.016 10 40 JGCB Cc1cc(C(=O)COC(=O)c2ccccc2S(C)(=O)=O)c(C)n1-c1ccc2c(c1)OCO2 22846793 OUNCLTVRFVOEJQ-UHFFFAOYSA-N 455.488 3.266 10 40 JGCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 59139541 UYDDNIZDGDOPBO-UHFFFAOYSA-N 474.922 3.225 10 40 JGCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1O[C@@H](C)C(=O)OC 108950787 ZTOXWQFIUZMVIV-IEOAWGNMSA-N 450.491 3.216 10 40 JGCB C[C@@H](Oc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1)c1ccccc1 20205658 DQNBUWKZKDOUHW-BNRLDLJDSA-N 454.533 3.448 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1O[C@@H](C)C(=O)O 33653674 MERQBVPBXDXDBR-AAIQCTMTSA-N 495.713 3.424 10 40 JGCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(N4CCCC4)cc3OC)C2=O)c1 409104291 CIVVCXDYGPBSGD-XDHOZWIPSA-N 465.506 3.369 10 40 JGCB O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21)NCc1cccs1 409148016 XTKMPGOACKAPTA-RGVLZGJSSA-N 488.525 3.274 10 40 JGCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(NCCO)nc12 2678607 JXJMLGXKXONFJJ-COYFKBPASA-N 466.588 3.370 10 40 JGCB Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)cc2Br)cc1 9258962 PVIILMWRPPVXGC-OQLLNIDSSA-N 488.363 3.032 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 107603477 KQPCDDCVKFLUBK-ZHZULCJRSA-N 487.424 3.489 10 40 JGCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccc1C(=O)O 409202285 QQQKECUFXXMHII-VCHYOVAHSA-N 473.441 3.187 10 40 JGCB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCN(c2ccc(OC)cc2)CC1 57050726 RDSWMWRXRXCVMR-UHFFFAOYSA-N 466.538 3.123 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408550355 CZZZTBLBLCCHJL-UHFFFAOYSA-N 478.288 3.159 10 40 JGCB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 408942754 LCXOFXDRWYKIQD-ZRELAVNMSA-N 498.004 3.136 10 40 JGCB CCc1cccc2c(/C=C3\SC(=S)N(CCOC)C3=O)cn(CC(=O)NCCCOC)c12 409122661 ASHGILAZPSFARP-UYRXBGFRSA-N 475.636 3.204 10 40 JGCB CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](CCSC)C(=O)O)C2=O)cc1OC 8870167 NJEJFNFOJMDJKO-RFRKOGIWSA-N 498.648 3.008 10 40 JGCB O=C1NC(=S)S/C1=C\c1cc(I)c(O)c(I)c1 9036122 UWZSTBUXXVVCKT-CLTKARDFSA-N 489.097 3.090 10 40 JGCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccc2c(c1)OCO2 9972225 XVIBEVAJBUNABY-BKUYFWCQSA-N 464.503 3.355 10 40 JGCB C[C@@H]1[C@@H](N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)C(=O)N(c2ccccc2)N1C 11582577 ZMNOZDDFSPGCQV-VZCSILLFSA-N 454.533 3.447 10 40 JGCB COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)cc4)CC3)CC2)cc1 24608352 GWWMOZASQOSRCK-UHFFFAOYSA-N 492.041 3.239 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1cccc(C(=O)O)c1 33370917 NXKFLOZODXZKRY-ODLFYWEKSA-N 489.440 3.342 10 40 JGCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 59109612 DCMSPRIFUKUDPG-UHFFFAOYSA-N 451.483 3.036 10 40 JGCB COCCn1cnc2c1c(=O)n(CC(=O)c1cc(C)n(-c3ccccc3F)c1C)c(=O)n2CC(C)C 9520571 CXUAHKVAZSIPRK-UHFFFAOYSA-N 495.555 3.092 10 40 JGCB CCOc1cc([N+](=O)[O-])cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1O 9660043 UWOSCTUDMDLFRE-RIYZIHGNSA-N 476.239 3.128 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(F)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 20609324 QOHXTQHPPFPMJW-PZHBDVNGSA-N 465.550 3.003 10 40 JGCB Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)c1 223148656 WOUIDHAEHGTZBX-RPBOFIJWSA-N 476.650 3.497 10 40 JGCB COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)cc1 223163997 XVKJPAYPNKISNK-RPBOFIJWSA-N 477.634 3.494 10 40 JGCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 408770825 AFDBKRQSBHKVAX-MOHJPFBDSA-N 492.572 3.133 10 40 JGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1OC 408782021 VFJIFPSQNCPKPZ-MDWZMJQESA-N 460.870 3.431 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OC(C)C 409374077 JXCXAAGPBUIUEP-VGOFMYFVSA-N 463.284 3.500 10 40 JGCB COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(C)(=O)=O 10113149 PLMIQGWZJMVJCR-UHFFFAOYSA-N 466.003 3.421 10 40 JGCB CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c1C 41077676 NMIKOIMNIZPOCO-AXPJIBDUSA-N 471.564 3.114 10 40 JGCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 59462515 AWAFONQHCMJZFW-LZYBPNLTSA-N 474.472 3.108 10 40 JGCB COc1ccc(N2CCN(C(=O)c3nnn(-c4cccc(OC)c4)c3-c3ccncc3)CC2)cc1 67262953 SUAUDNYZUOEWPY-UHFFFAOYSA-N 470.533 3.309 10 40 JGCB COc1ccc(N2CCN(C(=O)Cn3c(C)cc4nc(SC)n(CC(C)C)c(=O)c43)CC2)cc1 67320074 UJZWAUUMZPMMFH-UHFFFAOYSA-N 483.638 3.242 10 40 JGCB CCN(CC)c1ccc(CNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 225624639 WCPCGSIOTJAISK-UHFFFAOYSA-N 468.417 3.378 10 40 JGCB CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 225749227 KMRGZOVWGWAZEA-HXUWFJFHSA-N 459.612 3.259 10 40 JGCB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O 408848211 QVPYRBZVCURYNY-RIYZIHGNSA-N 459.252 3.243 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C 409266747 YESKMWTVQFRNTR-UHFFFAOYSA-N 471.897 3.122 10 40 JGCB COc1ccc(OCCC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 12600012 VIDXNNKZNCDAFA-UHFFFAOYSA-N 459.454 3.421 10 40 JGCB CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3nc(C)c(C(=O)OCC)s3)N=C2C)cc1 16682825 IVANIFRRSBILRY-GZTJUZNOSA-N 457.508 3.376 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1ccc(F)cc1 59536575 WWEGUTMENXHESF-UHFFFAOYSA-N 479.327 3.480 10 40 JGCB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1 3366071 BUCRFYUCWJTZMA-OAHLLOKOSA-N 459.499 3.065 10 40 JGCB CCOc1cccc(N2C(=O)/C(=C\c3cc(Br)cc(OC)c3O)C(=O)NC2=S)c1 9056450 ICTWHTLWJCZPRH-NVNXTCNLSA-N 477.336 3.393 10 40 JGCB CN1CCN(c2ccc(/C=C3/C(=O)N(c4cccc(Br)c4)C(=S)N=C3O)o2)CC1 33291601 RGVFYEVIFFEMKB-FOWTUZBSSA-N 475.368 3.466 10 40 JGCB CCOc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(N)=O 409215825 FPEXKOZFLNOMGE-LSCVHKIXSA-N 458.517 3.084 10 40 JGCB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)C2=O)c1 4468406 BPFBXEIHRDSAPH-LPYMAVHISA-N 464.547 3.143 10 40 JGCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4cccs4)c(Cl)c3)C(=N)N21 20206256 FLFSGHOAEMGOGJ-IHCXJTTMSA-N 494.963 3.242 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)cc1OC 27530608 DZXPSOZYRKENRN-LICLKQGHSA-N 459.505 3.452 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3F)C(=O)NC2=S)c(OC)c1 409109105 XUZMJQIGARHKHP-FOWTUZBSSA-N 451.479 3.465 10 40 JGCB COc1ccc(-c2nnc(N/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)s2)cc1 8425507 XYNQUMQKFWRBNK-GDNBJRDFSA-N 455.883 3.446 10 40 JGCB CN(CCCC(=O)NCc1ccccc1)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 10383353 TYQWXUJFWLJGSD-UHFFFAOYSA-N 476.554 3.179 10 40 JGCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OC 14010681 PHEYBQCCNMGQON-ZSOIEALJSA-N 475.295 3.450 10 40 JGCB C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CCN(c2ccccc2O)CC1 57999828 GZDYDXVYMJWXSP-KRWDZBQOSA-N 455.514 3.317 10 40 JGCB COc1ccc(OC)c(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 103438049 FUVJMENAGDQODA-RJGXRXQPSA-N 483.476 3.399 10 40 JGCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)n2C 408537122 ZGDPAIOLILRDHL-CYVLTUHYSA-N 493.999 3.001 10 40 JGCB O=[N+]([O-])c1cccc(/N=N/c2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)c1 4804134 DKKOAESQAFUSIQ-ISLYRVAYSA-N 453.410 3.362 10 40 JGCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](Cc3ccccc3)C(=O)O)C2=O)cc1 8870084 FUSQSDAIMAQJSC-XWALVKJWSA-N 454.573 3.398 10 40 JGCB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1 13613567 LLSRYTKCKVJWJF-UHFFFAOYSA-N 479.602 3.419 10 40 JGCB CN1CCN([C@@H](CNC(=O)c2ccc(Br)o2)c2ccc3c(c2)CCCN3C)CC1 22734794 HWVNKENQKBGHTI-IBGZPJMESA-N 461.404 3.143 10 40 JGCB O=C(CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(O)c(C(=O)O)c1 27530508 VLUJJEZCUHQVPY-GIJQJNRQSA-N 486.527 3.439 10 40 JGCB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 32910950 WNKDMGKNCHGTIS-CJFMBICVSA-N 497.592 3.228 10 40 JGCB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)CC1 409095362 HPDHOJFHBVXUBE-CPNJWEJPSA-N 484.559 3.451 10 40 JGCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 1237673 DMTPQCHEVNWDRM-UYRXBGFRSA-N 494.598 3.333 10 40 JGCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(NC(=O)c4ccccc4)c3C)C2=O)cc1 409213900 WDKXWAVISZSBJC-HMAPJEAMSA-N 471.517 3.329 10 40 JGCB CN1C(=O)C(=Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCCCO3)C(=O)N(C)C1=O 12807891 WTVJXQJAELJZSB-UHFFFAOYSA-N 472.501 3.194 10 40 JGCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCN1C(=O)c2ccccc2S1(=O)=O 23291330 LXRYLNUAJNLWEP-UHFFFAOYSA-N 471.560 3.278 10 40 JGCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/Nc1cc2nc(O)[nH]c2cc1N1CCCC1 408530008 KSKQICGKIWARFK-VAWYXSNFSA-N 466.885 3.101 10 40 JGCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 408584774 UXUREKZXSPMHRS-YVLHZVERSA-N 454.435 3.498 10 40 JGCB Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)NC(=O)NC2=O)cc1Cl 409265663 NLQXKNYERFJOJO-UHFFFAOYSA-N 492.713 3.178 10 40 JGCB COc1ccccc1N1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)CC1=O 9671116 YNQJWWQYVLCSCG-UNMCSNQZSA-N 451.567 3.322 10 40 JGCB COc1cccc([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]32)c1O 15276139 UGPXXSSUZPEWDL-ZDQHKECQSA-N 452.507 3.029 10 40 JGCB COc1ccc(N2CCN(C(=O)Cc3csc(NS(=O)(=O)c4ccc(C)cc4)n3)CC2)cc1 9828558 NLFAWIFLKMWYOM-UHFFFAOYSA-N 486.619 3.152 10 40 JGCB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 9882504 BDOQIMVRVHQGOW-DEOSSOPVSA-N 484.508 3.398 10 40 JGCB C[C@@H]1CCCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)C1 16699737 WYWFLJVRAQFHEZ-HMNDXINRSA-N 470.620 3.311 10 40 JGCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)SC1=S 40567595 TXXPZJFDLOAWHF-GRRFOWRYSA-N 461.473 3.164 10 40 JGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(N3CCOCC3)o2)C1=O 408842821 BWNYPOYSKZTVFQ-RVDMUPIBSA-N 474.311 3.108 10 40 JGCB Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408998473 UPDXXGJPFCWZDL-UHFFFAOYSA-N 491.416 3.452 10 40 JGCB O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 1187272 JAZMQVAPMQYGSY-LICLKQGHSA-N 478.258 3.054 10 40 JGCB Cc1cc(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)n1-c1ccc2c(c1)OCO2 16045852 FEXFNVAWIDBNHY-UHFFFAOYSA-N 484.530 3.113 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(I)c1O 408911736 CXFKKISQJHEATR-AWNIVKPZSA-N 496.232 3.201 10 40 JGCB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)ccc1Cl 409152611 KMXNJTCXBOYJDV-FRKPEAEDSA-N 462.867 3.213 10 40 JGCB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2904525 KBGZYKXDXKOLSY-RQZCQDPDSA-N 488.499 3.499 10 40 JGCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 59139536 IHTFHOBUVUDAPI-UHFFFAOYSA-N 475.910 3.435 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4C(=O)O)c3C)C2=O)cc1 409202098 OXGOPVIEBQNCKO-DEDYPNTBSA-N 459.458 3.467 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(NC(=O)c4ccccc4)c3C)C(=O)NC2=S)cc1 409209222 GYOOEPNSIAZAQX-KGENOOAVSA-N 474.542 3.329 10 40 JGCB Cc1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/c4cccc([N+](=O)[O-])c4)SC3=S)C2=O)cc1 2684968 ANUFPEQPXORHSO-IUPCOXQMSA-N 453.501 3.437 10 40 JGCB CCCCCCN1C(=O)/C(=C/c2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S 8858361 FNLLTDUAJWWKFZ-JXAWBTAJSA-N 490.651 3.205 10 40 JGCB CC1=C2[C@@H](CCS2(=O)=O)[C@@]2([S@@](=O)Cc3ccccc3)C(=O)c3ccccc3C(=O)[C@@H]2C1 8951193 VNNLTWNZHDGZPB-FVCGRTMGSA-N 454.569 3.482 10 40 JGCB O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 44840066 IZALYDYBWYLSQG-UHFFFAOYSA-N 492.041 3.035 10 40 JGCB CCOc1ccccc1NC(=O)CC(=O)N1N=C(C)[C@H](/N=N\c2ccccc2C(=O)O)C1=O 104219163 KQVVSDSWLSPFGY-NJGFXUCASA-N 451.439 3.009 10 40 JGCB CCn1cc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(=O)c2ccc(C)nc21 9441172 ZMRZEBGMVQGZIH-UHFFFAOYSA-N 495.491 3.296 10 40 JGCB COc1ccc(N2CCN([C@@H](c3cc(OC)c(OC)c(OC)c3)c3nnnn3C(C)(C)C)CC2)cc1 13504050 AWUOTGDJKYBCOF-QHCPKHFHSA-N 496.612 3.374 10 40 JGCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1I 33636171 JPHXMKYYWISYNR-JYRVWZFOSA-N 477.345 3.454 10 40 JGCB Cc1cc(C)cc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 408658793 IWZPUAWQTUINMS-VABKMULXSA-N 460.530 3.348 10 40 JGCB CSCC[C@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)O 8870180 DHAIWBMSCUITAS-VWZLUQKRSA-N 450.607 3.157 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3nc4ccccc4c(=O)[nH]3)c2C)cc1 9129443 XINBOHKJJYHYSX-UHFFFAOYSA-N 487.512 3.476 10 40 JGCB CCCCn1c(N)c(N(CCC)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c(=O)[nH]c1=O 9244461 VSJLFMGWYPNPNI-UHFFFAOYSA-N 487.564 3.223 10 40 JGCB COc1cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)ccc1O 96222308 JMPMALGZALIRCH-GFCCVEGCSA-N 478.409 3.438 10 40 JGCB biogenic CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N(CC)CC)C2=O)cc1 408529233 HGZYCAWYLAJIIH-DTQAZKPQSA-N 478.509 3.092 10 40 JGCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)c([N+](=O)[O-])c1 107635656 AORDTLZICYEKAP-VCHYOVAHSA-N 464.434 3.266 10 40 JGCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC 408802580 ZDEDGHKHSHVJEU-QGOAFFKASA-N 452.463 3.327 10 40 JGCB COc1ccc(N2CCN(C(=O)CSc3nnc4c5cc(C)ccc5n(C)c4n3)CC2)cc1 1366098 AWUAWNZHYQDLCW-UHFFFAOYSA-N 462.579 3.274 10 40 JGCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nnc(C)s3)C2=O)cc1OC 3194988 FPKOCZQOPKLAJV-ZROIWOOFSA-N 450.567 3.094 10 40 JGCB O=C1N[C@@H](c2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c([N+](=O)[O-])c2)Oc2ccccc21 59488827 BMZZSJVCNPEXGG-AREMUKBSSA-N 488.500 3.467 10 40 JGCB COc1ccc(N2CCN(C[C@H](O)COCCOc3ccc(Br)cc3)CC2)cc1 84457719 NJMDKZBARPNHDH-FQEVSTJZSA-N 465.388 3.036 10 40 JGCB COC(=O)[C@@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 19584908 GNHJRZZAACCNPM-PVIBPIFHSA-N 487.531 3.410 10 40 JGCB C[C@H](Oc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)C(=O)O 33749213 MENMBKXUTDBXAZ-WULZRQGASA-N 465.687 3.416 10 40 JGCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCc2ccc(S(N)(=O)=O)cc2)cc1 113467848 MAHBQKSTAXGQAA-KQWNVCNZSA-N 494.548 3.296 10 40 JGCB COc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccccc3)C(=O)c3ccccc3C2=O)c1 245241977 VMKMGFPFYITLHQ-BDTNDASRSA-N 453.450 3.390 10 40 JGCB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)c2)cc1 408938386 QHKVBWIQAQOUBI-STZFKDTASA-N 478.482 3.135 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(N)=O 409219977 SFGYTUPFPAXYGM-MKMNVTDBSA-N 492.315 3.231 10 40 JGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O)c(I)c2)C1=O 409244519 DXIGBZBHVCDADN-FMIVXFBMSA-N 478.242 3.062 10 40 JGCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(I)o1 9892464 SNRDHIGHEFRPBU-XFFZJAGNSA-N 487.047 3.313 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 27530609 GOELLQMDQCDQNU-LICLKQGHSA-N 459.505 3.452 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc(I)c1O 32099685 NGOPJBFUHXSLQR-XGICHPGQSA-N 470.650 3.120 10 40 JGCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 100037584 GXKPQPKZHAAGFT-XSFVSMFZSA-N 460.943 3.079 10 40 JGCB O=C(O)CN1C(=O)/C(=C\c2cc(Br)cc(Br)c2O)SC1=S 3213171 ZEQADERYHZQEIW-KRXBUXKQSA-N 453.133 3.203 10 40 JGCB Cc1nnc(SCC(=O)c2cc(C)n(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)s1 8893720 CEBJGFLMBFHXPD-UHFFFAOYSA-N 492.648 3.250 10 40 JGCB COc1ccc(CCN2C(=O)NC(=O)/C(=C\Nc3cccc(-c4ccc(CO)o4)c3)C2=O)cc1OC 8992367 FRGZWCMVEYXFBB-XSFVSMFZSA-N 491.500 3.073 10 40 JGCB CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 13715116 PEFBJVWAZCSACE-CQUHBBLWSA-N 488.635 3.302 10 40 JGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 105822982 ANVNXYDKXGACRS-UYRXBGFRSA-N 474.385 3.184 10 40 JGCB Cc1ccc(N2C(=O)/C(=C\c3ccc(I)o3)C(=O)NC2=S)c(C)c1 6795945 DZJSYRNFNCFAKD-WQLSENKSSA-N 452.273 3.332 10 40 JGCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)c(OC)c3)C2=O)cc1 408803707 SJJXARXNRBBDJZ-LDADJPATSA-N 452.463 3.326 10 40 JGCB O=C(CSc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 408992639 SSPALZBVJOJTHN-UHFFFAOYSA-N 492.538 3.393 10 40 JGCB COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C\NN3CCCC[C@H]3c3cccnc3)C2=O)c1 8974737 JSLJZPVWYNPLOV-UMADGWCESA-N 451.483 3.138 10 40 JGCB CC1=NN(c2ccccc2)C(=O)/C1=c1/s/c(=C/c2ccc(F)cc2)c(=O)n1-c1ccccc1 17173106 SKTCEKWNTNPRHU-SCEPMMPSSA-N 455.514 3.440 10 40 JGCB CCOC(=O)c1oc2c(CN3CCN(C)CC3)c(O)ccc2c(=O)c1-c1ccccc1OC 19682119 UUTNTQCYOXYXIL-UHFFFAOYSA-N 452.507 3.098 10 40 JGCB biogenic CC(=O)Nc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)cc1 23385508 KYBWGJHRDVICCY-INIZCTEOSA-N 477.608 3.295 10 40 JGCB CN1C(=O)C(=Cc2ccccc2OCc2ccc(I)cc2)C(=O)N(C)C1=S 59140019 YTDOCUBLENWYOD-UHFFFAOYSA-N 492.338 3.469 10 40 JGCB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br 408768233 VHXPGFBHDUGJPN-MHWRWJLKSA-N 487.306 3.366 10 40 JGCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3cccc(Br)c3)C1=O)OCO2 409111209 AVVJNNOJKFTKTJ-NSIKDUERSA-N 459.252 3.243 10 40 JGCB CCc1cccc2c(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)cn(CC(=O)N3CCCC3)c12 409195999 MDDYXQYRRMEXLV-STZFKDTASA-N 462.550 3.231 10 40 JGCB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c(OC)c1 8799132 OUVWBDAITPMPPB-QFIPXVFZSA-N 459.612 3.202 10 40 JGCB COc1ccc(N2CCN([C@H](CC(C)C)c3nnnn3CS(=O)(=O)c3ccc(C)cc3)CC2)cc1 13505416 PTTWFCPMXBWZIV-XMMPIXPASA-N 498.653 3.331 10 40 JGCB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c(OC)c1 9138243 GGKTULJQFPVSLN-DEOSSOPVSA-N 480.609 3.368 10 40 JGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3O[C@H](C)C(=O)O)C2=O)c(OCC)c1 409194738 QSOODTFGEUADHR-RFRKOGIWSA-N 468.462 3.002 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 409256266 KODSSBBJEZJADW-UHFFFAOYSA-N 471.897 3.122 10 40 JGCB O=C(COc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1)N1CCOCC1 409328776 ARXPABZCYJQVOP-UYRXBGFRSA-N 458.536 3.469 10 40 JGCB COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)CC2)cc1 2650390 ILGXDDOODARVRW-UHFFFAOYSA-N 491.613 3.405 10 40 JGCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OCC(=O)O 9188738 TUFJQLPLMHBNMT-YVLHZVERSA-N 458.517 3.013 10 40 JGCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(O)cc1 223142367 JLKXNUNNQMPEDV-JWQCQUIFSA-N 477.634 3.499 10 40 JGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(N4CCOCC4)o3)C2=O)cc1C 408847793 RTDQESVUYQNHMN-MHWRWJLKSA-N 474.311 3.162 10 40 JGCB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 409104090 IQZZTHLGSMRKHT-CPNJWEJPSA-N 463.515 3.334 10 40 JGCB Nc1c(N(CCC2=CCCCC2)C(=O)/C=C/c2cccnc2)c(=O)[nH]c(=O)n1Cc1ccccc1 12556239 GOJBKEVUQUFFCC-BUHFOSPRSA-N 471.561 3.499 10 40 JGCB CNC(=O)[C@H]1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c2ccccc2O1 12974460 XYQXHWVCSPRCAB-HSZRJFAPSA-N 453.502 3.147 10 40 JGCB Cn1c(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nc2ccccc2c1=O 13141538 YXCHZMDUWILQAO-UHFFFAOYSA-N 455.495 3.440 10 40 JGCB CC(C)OC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 108240057 BZLDQEZYPMARJU-BOPFTXTBSA-N 459.296 3.241 10 40 JGCB CCN(CC)c1ccc(CN(C)C(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)cc1 9313725 XOLLVIVZHSWPIF-QFIPXVFZSA-N 456.612 3.255 10 40 JGCB CCN(CC)c1ccc(/C=c2\s/c(=C\C(=O)C(C)(C)C)n(CC(=O)NC3CCCCC3)c2=O)cc1 13072136 IWUHTDJTQMTSLW-FQBKYNSESA-N 497.705 3.429 10 40 JGCB CCC1=NN2C(=N)/C(=C\c3ccccc3OS(=O)(=O)c3ccccc3[N+](=O)[O-])C(=O)N=C2S1 13810340 IBNYSKOGVDKQKB-JXGICSNCSA-N 485.503 3.392 10 40 JGCB COc1ccc(N2CCN([C@@H](CNC(=O)c3cccc([N+](=O)[O-])c3)c3ccco3)CC2)cc1 56946020 WESUENRKSPHJCZ-QFIPXVFZSA-N 450.495 3.490 10 40 JGCB CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)S2)CC1 9301933 TVQKLOYYHXCRSC-KGENOOAVSA-N 466.519 3.308 10 40 JGCB N=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 9312691 KFKRZSXEXFATPM-LFSVSOHWSA-N 478.490 3.486 10 40 JGCB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccc2F)cc1 10113337 LJFDEWNQGGCXEI-UHFFFAOYSA-N 497.592 3.482 10 40 JGCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CC(=O)O)C(=O)O)C3=O)o2)cc1[N+](=O)[O-] 12414294 VGHNWSDUVHFRBQ-QVYJARAXSA-N 462.461 3.292 10 40 JGCB COc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c(OC)c1 102675389 BNLUUXSORDROHV-YTFSRNRJSA-N 483.476 3.399 10 40 JGCB COc1ccccc1NC(=O)[C@@H](/N=N/c1cccc(S(=O)(=O)Nc2nncs2)c1)C(C)=O 104123843 CLUFLVVIKVLHIG-AWZKZOKMSA-N 474.524 3.028 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC(C)=O)C2=O)cc1 408530785 FVXKLJFQVWOHBH-YBEGLDIGSA-N 459.252 3.049 10 40 JGCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(N2CCCCC2)c(F)c1 409196402 ZXAVYEWUUWNSRM-SFQUDFHCSA-N 453.495 3.346 10 40 JGCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)c1 409389522 BURFJKMAOCILOK-KGENOOAVSA-N 458.474 3.332 10 40 JGCB CCN(CCO)C(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 8819975 UXUBELGPZNTXSI-CYVLTUHYSA-N 466.625 3.306 10 40 JGCB COc1ccc(N2CCN(C(=O)c3cn(-c4ccc(-c5nc(C6CC6)no5)cn4)cn3)CC2)cc1 71768212 RABHTINFSUMGBL-UHFFFAOYSA-N 471.521 3.166 10 40 JGCB O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96221357 XZWQMHOPHFEGIM-LBPRGKRZSA-N 476.393 3.452 10 40 JGCB biogenic C(=C1/CCC2=C1Nc1nnnn1[C@@H]2c1ccc(N2CCOCC2)cc1)\c1ccc(N2CCOCC2)cc1 9221321 AXMSHOHLXNQUBR-ATVJKZCWSA-N 497.603 3.493 10 40 JGCB Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CC(=O)O)C2=O)c1 13770844 HEANAZWSUBZIMN-GDNBJRDFSA-N 453.501 3.081 10 40 JGCB Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1 41077757 CZAAUSOPJXZDBH-JJEZRMFNSA-N 484.559 3.074 10 40 JGCB COC(=O)C[C@@H](c1cnn(C(C)C)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96114013 AOSOYEDHNIHJED-AWEZNQCLSA-N 496.472 3.460 10 40 JGCB biogenic COc1ccc(CCN2C(=O)/C(=C\c3ccc(OCC(N)=O)c(OC)c3)SC2=S)cc1OC 9971288 YOSLWYIIIOSSHQ-UDWIEESQSA-N 488.587 3.020 10 40 JGCB CC[C@@H](CO)Nc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 16736171 LAQYWVLWSCVCTM-GYXHFJGISA-N 484.578 3.418 10 40 JGCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(Sc3ccccc3)nc12 16741439 LIPOALIJTABLKQ-GDNBJRDFSA-N 469.569 3.440 10 40 JGCB CCOC(=O)[C@@H]1[C@H](c2ccc(N(CC)Cc3ccccc3)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 17201404 NJFALYBTULVSER-IPJJNNNSSA-N 465.472 3.497 10 40 JGCB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)nc1 223149255 JJNJSDAWYWIKJV-DQEYMECFSA-N 476.650 3.497 10 40 JGCB Cc1cccc(N2C(=O)/C(=C/c3ccc(I)o3)C(=O)NC2=S)c1C 408757648 BHCZSUNFDBRYEL-XYOKQWHBSA-N 452.273 3.332 10 40 JGCB O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)SC2=S)c1 409095878 DVEHZFKYNJGBNG-XDHOZWIPSA-N 484.555 3.028 10 40 JGCB NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 409225593 NBOBGAHMESDMRM-WUXMJOGZSA-N 468.680 3.177 10 40 JGCB COc1ccccc1C(=O)NN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 2261000 XAJVBBOFBBUCEH-BOPFTXTBSA-N 460.533 3.267 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 8435156 PYMBJAJLSSHUPW-VOSMRYOYSA-N 465.550 3.003 10 40 JGCB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCC1 8964181 PXZPTWDGJWQZJU-OAQYLSRUSA-N 456.974 3.233 10 40 JGCB COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(F)cc3)c3ccco3)CC2)cc1 16953905 MXJSCPQPCDPKBJ-QFIPXVFZSA-N 459.543 3.269 10 40 JGCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1O 223142085 RAMRJEJYAURZSD-JWQCQUIFSA-N 477.634 3.499 10 40 JGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3nc(O)[nH]c3cc2N(CC)CC)C1=O 408533411 SBQPLBVNXCDWLB-FYWRMAATSA-N 462.510 3.256 10 40 JGCB COc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N(C)c4ccc(OC)cc4)c3)CC2)cc1 9282934 UZSXAHOJVITJMB-UHFFFAOYSA-N 495.601 3.491 10 40 JGCB CN(C)c1ccc(/C=C2/SC(=S)N(NC(=O)c3cc(=O)[nH]c4ccccc34)C2=O)cc1 28629041 DLYSMZUHVLQFDH-WOJGMQOQSA-N 450.545 3.140 10 40 JGCB COc1ccc(N2CCN(C(=O)CCCN(c3ccc(Cl)cc3)S(C)(=O)=O)CC2)cc1 408693890 AQAOXARYFRNFLU-UHFFFAOYSA-N 466.003 3.244 10 40 JGCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 9127709 ITMTZUVPTGHJAQ-VWLOTQADSA-N 490.472 3.381 10 40 JGCB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)N3CCCCC3)ccc21 9138143 KBTANDNRSWGDTE-QFIPXVFZSA-N 464.566 3.080 10 40 JGCB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S 28296900 VNPOYQVNWPZXRS-LICLKQGHSA-N 455.586 3.449 10 40 JGCB COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cc(C)n(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1C 409124917 CAIFWYRQFRYUHA-MTJSOVHGSA-N 497.577 3.175 10 40 JGCB COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c2c1 409192103 ACOYJNKTRZQBPO-XDHOZWIPSA-N 462.483 3.387 10 40 JGCB CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=N)N21 20206975 QXYGXRKWQCYYMG-OSIMKLFKSA-N 486.531 3.292 10 40 JGCB COc1ccc(N2CCN(C3=NC(=O)[C@H](CC(=O)Nc4ccc(Oc5ccccc5)cc4)N3)CC2)cc1 20249063 VLLUNMQJAVTCQQ-VWLOTQADSA-N 499.571 3.493 10 40 JGCB CCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1OCC 23080542 ZXRGFBJFJXAQRE-HSZRJFAPSA-N 454.615 3.269 10 40 JGCB COc1ccc(N2CCN(C(=O)CCc3nnc4n(CC(C)C)c(=O)c5sccc5n34)CC2)cc1 35528583 HUNBCBFTTOHVDP-UHFFFAOYSA-N 494.621 3.052 10 40 JGCB Cn1c(=O)n(C)c2cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)ccc21 409081497 PNCAFRCZPTYPSW-UHFFFAOYSA-N 452.470 3.460 10 40 JGCB CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OCC)cc2)C1=O 408810022 HZOHPKIQCWGZKA-CPNJWEJPSA-N 452.463 3.327 10 40 JGCB Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2)cc1 408947414 CLNMLHKGNBMEPO-CIAFOILYSA-N 499.479 3.408 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)c2C)cc1 2664899 CFGROUDXPQXTAZ-YADARESESA-N 470.547 3.061 10 40 JGCB CCCOc1c(I)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1OC 32110006 IDJIDOUGDFGKGU-MDWZMJQESA-N 460.293 3.195 10 40 JGCB COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c1C 41084396 CPCHOMDNZCJXFG-YHBINRDGSA-N 464.551 3.012 10 40 JGCB CN1CCCc2cc([C@@H](CNS(=O)(=O)c3ccccc3Cl)N3CCOCC3)ccc21 22735478 DEUWMZBKDAOVOB-OAQYLSRUSA-N 450.004 3.074 10 40 JGCB CCOC(=O)[C@@H](C)Oc1cc(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 108978107 JITCKWLORBRUEP-YDRQLGOLSA-N 489.322 3.250 10 40 JGCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)N4CCc5nc[nH]c5C4)c4ccccc34)[C@H]21 1565524990 UNFLFKSFPVCSSV-MHZLTWQESA-N 480.572 3.486 10 40 JGCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N1CCN(c2ccccn2)CC1 9338331 OMGILSWODLEBBD-UHFFFAOYSA-N 465.579 3.177 10 40 JGCB CCN1C(=O)/C(=C\c2cc(C)n(C3CC3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 16957325 CAKZDYRGKGQKHE-HMAPJEAMSA-N 455.580 3.368 10 40 JGCB O=C(C[C@@H](C1=Cc2ccccc2OC1)c1c(O)n2ccccc2nc1=O)NCCc1ccc(O)c(O)c1 230463822 BXXPFTHZNAXSAN-FQEVSTJZSA-N 499.523 3.120 10 40 JGCB Cc1ccc(O)c(CN2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)c1 585271350 GHNHDZBGYIEJGR-RUZDIDTESA-N 474.985 3.253 10 40 JGCB O=C(COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccc2c(c1)OCCO2 8825968 BGKHTVJLUGRLDV-UHFFFAOYSA-N 473.393 3.181 10 40 JGCB COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 9138039 GRZRXOOWCPHIDP-XMMPIXPASA-N 480.609 3.368 10 40 JGCB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2ccc(OC)cc2)[C@@H](C)C1 71137509 XXZHPXSFBAEKHS-KRWDZBQOSA-N 450.539 3.421 10 40 JGCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1N1C(=O)CCC1=O 260764543 JXUNIGZWYLWSDV-KRWDZBQOSA-N 471.579 3.063 10 40 JGCB COc1ccc(N2CCN(C(=O)CSc3nnc4c5c(C)c(C)sc5ncn34)CC2)cc1 1379186 OROZUEYBGVRPGL-UHFFFAOYSA-N 468.608 3.405 10 40 JGCB Cc1cc(C(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c(C)n1-c1ccc(F)cc1 24148522 JAPHUSAQUUGOOS-UHFFFAOYSA-N 459.525 3.428 10 40 JGCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 1750296 NRNVVHFJHOAZGF-OQDIYGIBSA-N 473.395 3.179 10 40 JGCB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1 13675116 SMGULGVSVQYDOJ-UHFFFAOYSA-N 465.575 3.035 10 40 JGCB Cc1c(N/C=C2/C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c(=O)n(-c2ccccc2)n1C 18188409 WRHQXZLPICRBEK-ATVHPVEESA-N 485.422 3.082 10 40 JGCB O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c2ccccc21)NCc1ccco1 96234392 GITGUGUYAZSETM-XDHOZWIPSA-N 486.459 3.356 10 40 JGCB C[C@]1(C(=O)O)N[C@H](c2cc(Br)ccc2O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 103000872 KDZAPOPKRQNTCS-NLDJYOPPSA-N 479.714 3.102 10 40 JGCB O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 13619200 QOAGSYVAUINEKY-RCEBRVLHSA-N 450.519 3.243 10 40 JGCB COc1cc(N2C(=O)/C(=C\c3ccc(O)c(Br)c3)C(=O)NC2=S)cc(OC)c1OC 16195257 BEZUHQBYWJRHQC-SDQBBNPISA-N 493.335 3.012 10 40 JGCB Oc1ccccc1CN1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1 225477252 IGQVRWQTSBCIMN-UHFFFAOYSA-N 465.623 3.050 10 40 JGCB biogenic,in-vitro CCN(CC)c1ccc(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)c(OC)c1 408721074 JZZAFNMZUMBARM-IUXPMGMMSA-N 459.369 3.469 10 40 JGCB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NC1=NCCS1 8820027 ZYSKJSQWSUBWLW-WJDWOHSUSA-N 463.606 3.396 10 40 JGCB CCN1/C(=C/C=c2/s/c(=C3\SC(=S)N(C)C3=O)n(CC)c2=O)Sc2ccc(Cl)cc21 100500542 TWGUAIFZBGSTDN-JRIFYWLPSA-N 496.104 3.436 10 40 JGCB CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 225749251 KMRGZOVWGWAZEA-FQEVSTJZSA-N 459.612 3.259 10 40 JGCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(I)c2)C(=O)NC1=S 408904514 KTCAUSORORJSJW-UKTHLTGXSA-N 478.311 3.391 10 40 JGCB Cc1cc(-c2csc(NC(=O)Cn3cnc4c(cnn4C)c3=O)n2)c(C)n1-c1ccc(F)cc1 10188968 HBOGEXLGVRRLID-UHFFFAOYSA-N 477.525 3.439 10 40 JGCB CN1CCN([C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)c2ccc3c(c2)CCN3C)CC1 22735805 DWMNIBMAJNDNKB-SANMLTNESA-N 464.635 3.099 10 40 JGCB O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 100414498 QFJDYCCCXWBNMV-QHAWAJNXSA-N 468.421 3.290 10 40 JGCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c2C)nc1 409187714 AWMBNAKMMBNYLY-YBFXNURJSA-N 460.515 3.327 10 40 JGCB COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3cccnc3)C2=O)cc(OC)c1OC 16692646 DCVCWVIUPSBWHO-BOPFTXTBSA-N 459.549 3.337 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 409262099 FBUVXOUIDXKSOD-UHFFFAOYSA-N 487.965 3.287 10 40 JGCB COc1ccc(N2CCN(C(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 8831775 LADWQYKKZFAEDQ-UHFFFAOYSA-N 469.498 3.464 10 40 JGCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)C(=N)N21 20205825 VPGCOVIZOKJMPQ-KMFLQCEESA-N 481.534 3.450 10 40 JGCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(N4CCCCC4)cc3OC)C2=O)o1 33722113 ZJSJPSIMNWSKAU-BOPFTXTBSA-N 469.494 3.167 10 40 JGCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 101623046 GJBKHERUHLYHAT-NJYVYQBISA-N 468.421 3.290 10 40 JGCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)OC)c(OC)c3)C2=O)cc1 408984199 PZPJARBCKUZZNE-SXGWCWSVSA-N 472.881 3.129 10 40 JGCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(C(F)(F)F)c1 13668350 JWHOEFYAVQYSAB-UHFFFAOYSA-N 455.502 3.388 10 40 JGCB Cc1cc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2cc1C 27664618 XDQHIULISNYFDP-HXUWFJFHSA-N 468.575 3.305 10 40 JGCB CCOCCCNS(=O)(=O)c1ccc(Oc2cc(O)c3c(c2N)C(=O)c2ccccc2C3=O)cc1 31476963 ALXCWDABTQQKAH-UHFFFAOYSA-N 496.541 3.247 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 33581784 PIVKPSGLXHZAHF-WQRHYEAKSA-N 458.426 3.105 10 40 JGCB Cc1cc(C(=O)COC(=O)c2cnc(Cl)c(Cl)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 39587269 URCSBXPWFGCCLT-UHFFFAOYSA-N 482.345 3.483 10 40 JGCB COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)c2C)c1 223599361 QSMYFVMDEKDVOA-VXKWHMMOSA-N 450.564 3.241 10 40 JGCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 408892803 JQLRTCPFLOISPK-KKMLBMJLSA-N 450.285 3.029 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)c2C)cc1 2644028 XUQYCZHQMXJSTL-HHHXNRCGSA-N 471.513 3.457 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(Cl)cc1OC 409192550 YPHLTISJJIJGBB-RIYZIHGNSA-N 460.895 3.277 10 40 JGCB COc1ccc(CN2C(=O)/C(=C/c3c(NCCCO)nc4c(C)cccn4c3=O)SC2=S)cc1 2329280 HQSAOFCBYASGCK-UYRXBGFRSA-N 496.614 3.207 10 40 JGCB Cn1c(=O)n(C)c2cc(/C=C3/SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)ccc21 9233752 VNDSAUYUTXFZBS-DJKKODMXSA-N 482.631 3.326 10 40 JGCB N=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 9312874 AMCZFIJSIRMCQP-LFSVSOHWSA-N 478.490 3.486 10 40 JGCB Cc1nc2ccccc2n1CC(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 9443978 OMKIKMOVTDSSPS-UHFFFAOYSA-N 453.454 3.302 10 40 JGCB COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@](Cc4ccccc4)(c4ccccc4)C3=O)CC2)cc1 12553905 YGNNLJGGUMDBBQ-GDLZYMKVSA-N 498.583 3.034 10 40 JGCB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)C(=O)N=C2S1 41077840 SAKBQYQSQAGIKV-BMXNGJOMSA-N 488.934 3.180 10 40 JGCB Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)c1 223148760 WOUIDHAEHGTZBX-DQEYMECFSA-N 476.650 3.497 10 40 JGCB Cc1cc(C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 9127192 SCYLNRKSYVGYKP-UHFFFAOYSA-N 466.321 3.457 10 40 JGCB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 33711047 HWCUGCOSUHLIKG-JAIQZWGSSA-N 459.483 3.261 10 40 JGCB COc1ccc(N2CCN([C@H]3c4ccccc4C[C@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 58164940 NJPTYNRWKJYJIF-FTJBHMTQSA-N 463.603 3.462 10 40 JGCB Cc1cc(/C=C2\NC(=S)N(C)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 409148892 TXGWQEHGZBVSFF-WQRHYEAKSA-N 475.412 3.381 10 40 JGCB COCCN1C(=O)/C(=C\c2c(N3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2288308 RIIFQXDXYIYSFX-GHRIWEEISA-N 458.609 3.087 10 40 JGCB CC(C)CCN1C(=O)/C(=C/c2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S 2327299 SORBOKBNPJQWLB-SSZFMOIBSA-N 460.650 3.495 10 40 JGCB Cc1ccc(Cl)cc1N(CCCC(=O)NCc1ccc(N2CCOCC2)cc1)S(C)(=O)=O 10113435 VGVSNMGDIBBSBI-UHFFFAOYSA-N 480.030 3.348 10 40 JGCB CN1C[C@@H](c2ccccn2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccccc12 35851547 RNVQQSNUVRKHEQ-DPSWKAHMSA-N 476.583 3.351 10 40 JGCB O=S(=O)(c1ccc(NC(=S)NNc2ccccc2C(F)(F)F)cc1)N1CCOCC1 3315171 FXHWWJWWYQLFJA-UHFFFAOYSA-N 460.503 3.040 10 40 JGCB Cc1cc(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)ccc1Cl 9424126 QBWIFVQZFLCLFF-IBGZPJMESA-N 450.988 3.309 10 40 JGCB Cc1nnc(SCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1Cc1ccccc1 12210078 QTIZWUZDLRALGP-UHFFFAOYSA-N 451.596 3.222 10 40 JGCB CN1CCN([C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)c2ccc(N(C)C)cc2)CC1 22666159 XVBCMKWZRCWJMM-VWLOTQADSA-N 452.624 3.173 10 40 JGCB O=C(COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccccc1F 33367310 PKLDRIAMKZWMIL-AQTBWJFISA-N 476.420 3.213 10 40 JGCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1C 41077955 JLGTZKWASOQSNB-UHFFFAOYSA-N 460.939 3.338 10 40 JGCB CCOc1ccccc1NC(=O)CC(=O)N1N=C(C)[C@@H](/N=N\c2ccccc2C(=O)O)C1=O 104219154 KQVVSDSWLSPFGY-CPSPCKPPSA-N 451.439 3.009 10 40 JGCB CC1CCN(c2ccc([C@@H](C)NS(=O)(=O)c3nnc(NC(=O)C(C)C)s3)cc2)CC1 225219993 GIFYLVLVXPFQPX-OAHLLOKOSA-N 451.618 3.408 10 40 JGCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 409229800 VEBJJLJQGDEYLC-XDHOZWIPSA-N 475.457 3.493 10 40 JGCB O=C(COc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1)N1CCOCC1 409332829 RNIWEBVGDDAZNK-UNOMPAQXSA-N 458.536 3.469 10 40 JGCB Cc1cc(C(=O)COC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1-c1ccc(Cl)cc1 9220357 FOTRLCHQZGGQEM-UHFFFAOYSA-N 486.933 3.318 10 40 JGCB C[C@@H](Oc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1)C(=O)O 12363088 RFCJEERFGJFOOE-WIWNTQSISA-N 475.320 3.132 10 40 JGCB CN1CCCc2cc([C@H](CNS(=O)(=O)c3cccc(Cl)c3)N3CCOCC3)ccc21 22735475 UBTMFRKSEXYZKJ-QFIPXVFZSA-N 450.004 3.074 10 40 JGCB Cc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 34761214 WLHBQHFXRSEZIJ-ZHZULCJRSA-N 472.457 3.382 10 40 JGCB N=C(N)NS(=O)(=O)c1ccc(/N=N/C2=C(O)[C@@H](c3ccccc3)N(c3ccccc3)C2=O)cc1 104269476 VWKNBEKNYXHRPX-OESNKQGASA-N 476.518 3.500 10 40 JGCB C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 225562933 XAEXGRNVNQQTJN-UXHICEINSA-N 471.623 3.435 10 40 JGCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1ccc2c(c1)n(C)c(=O)n2C 408528724 ICLNIPVYDLSDRH-WJDWOHSUSA-N 487.301 3.200 10 40 JGCB COc1cc(N2CCCCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 409250326 QOUOZULHJYAAJQ-MOSHPQCFSA-N 452.486 3.356 10 40 JGCB CCCCN1C(=O)/C(=C/c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 8858085 FGKXGNPRZSNWIB-VKAVYKQESA-N 468.608 3.395 10 40 JGCB COc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1 20332118 YPCIZUVZHBJPMI-FHSPRMHRSA-N 494.558 3.214 10 40 JGCB CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 222768570 AKTQZCSVCZLJOS-KRWDZBQOSA-N 463.600 3.021 10 40 JGCB O=C(CSc1nnnn1Cc1ccccc1)NCc1cc(C(=O)c2ccccc2)ccc1O 12376608 RVHDVBRHZNDTCI-UHFFFAOYSA-N 459.531 3.067 10 40 JGCB COc1ccc(N2CCN(C(=O)Cc3c(C)c4c(OC)cc(OC)cc4oc3=O)CC2)cc1 9060799 GTLBGDLJHLUBQE-UHFFFAOYSA-N 452.507 3.019 10 40 JGCB Cc1cc(C(=O)CN(C)Cc2ccco2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 9339421 WXKRMTSUBQCTJL-UHFFFAOYSA-N 471.579 3.023 10 40 JGCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc2c(c1)OCO2 9739042 SANYDBREUZBOHW-AREMUKBSSA-N 489.484 3.201 10 40 JGCB CCCCN1C(=O)[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@@](CC(C)C)(C(=O)O)[C@@H]2C1=O 19848864 GSEQTUNUCZMITJ-NWZZKEMCSA-N 467.360 3.070 10 40 JGCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2ccccc2O[C@@H](C)C(=O)O)C1=O 409190040 VCURWNMJEVPPQT-XBUHWIKASA-N 473.279 3.276 10 40 JGCB Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c(C)c1 22735259 QWDXWJBNVZVJMD-VWLOTQADSA-N 477.653 3.038 10 40 JGCB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 224292787 SSMIIYONYRHNRV-IBGZPJMESA-N 459.612 3.429 10 40 JGCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3I)C2=O)c1 408553484 ZLMKCBDAVVSVFP-XNTDXEJSSA-N 462.243 3.356 10 40 JGCB COCCN1C(=O)/C(=C/c2c(NCc3ccc(OC)cc3)nc3c(C)cccn3c2=O)SC1=S 8661014 PPYDJHCBTJSXAC-UYRXBGFRSA-N 496.614 3.471 10 40 JGCB Cc1cc(C(=O)COC(=O)c2ccccc2NCCO)c(C)n1-c1ccc2c(c1)OCCO2 8706920 PKISRSVWBJCKRG-UHFFFAOYSA-N 450.491 3.309 10 40 JGCB COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)c2C)cc1 9847438 WHPGSTWWJUYPJE-SANMLTNESA-N 475.501 3.481 10 40 JGCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccn1 223130675 SSDRCTNRLSAWBV-BJKOFHAPSA-N 462.623 3.189 10 40 JGCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 409188642 IUZPZUAZROASTK-GZTJUZNOSA-N 462.439 3.174 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1O 9311088 XUXBEDPJXYCIMP-WUXMJOGZSA-N 498.660 3.325 10 40 JGCB O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2 9357355 RXBBADNPSHEPGM-BHIFYINESA-N 467.433 3.110 10 40 JGCB COc1ccc(OC[C@@H](O)CN(C[C@H](O)COc2ccc(OC)cc2)c2ccc(OC)cc2)cc1 10381835 NGDLDTSUOWYKTK-VXKWHMMOSA-N 483.561 3.399 10 40 JGCB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)o1 409193999 KCJKBXXZZGRHLD-LDADJPATSA-N 476.466 3.263 10 40 JGCB CCCN1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 9463756 XZLHBKLWNJUWMF-GFWHJHDHSA-N 466.588 3.451 10 40 JGCB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)N1CCN(CCc2ccccn2)CC1 19901989 IKYOWEAABNBDCJ-DYTRJAOYSA-N 466.632 3.060 10 40 JGCB O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NCCc1ccc(O)cc1 54360682 DNVCNRGBVXCMHS-UNOMPAQXSA-N 456.545 3.071 10 40 JGCB Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 108949518 SYDJMUCOSVFBNS-UYRXBGFRSA-N 472.457 3.382 10 40 JGCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(OC)c3)C2=O)cc1 408866073 GEWOIUOYEGWWPN-LICLKQGHSA-N 473.279 3.301 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1 8870107 RBYUZVBQVBPIQL-OGBKAESYSA-N 470.572 3.099 10 40 JGCB COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)CC2)cc1 20110206 XZBCFCDWJQGSRT-QHCPKHFHSA-N 485.650 3.018 10 40 JGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)C1=O 409247406 CAAXZPDVKIWAKE-XYOKQWHBSA-N 461.268 3.228 10 40 JGCB O=C(O)CN1C(=O)/C(=C\c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)SC1=S 9310686 HNGJYKDTTPGYCN-FBCYGCLPSA-N 495.538 3.295 10 40 JGCB C[C@H]1CCC[C@@H](NC(=O)Cn2c(=O)/c(=C\c3ccc(N(C)C)cc3)s/c2=C\C(=O)C(C)(C)C)[C@@H]1C 13097217 XTUCJUIMBLKLHX-YWIIRUMTSA-N 497.705 3.141 10 40 JGCB CC[C@@H](CO)Nc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O 16805875 UEZHNAFEJAVGJM-FJSNCCPHSA-N 480.615 3.321 10 40 JGCB COC(=O)[C@@H](C)Oc1ccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)cc1 35201227 SPBMLRZCORSUCT-OYADDEIPSA-N 459.502 3.496 10 40 JGCB CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)C(=O)N(C)C1=S 59140070 SCQLTZRLHLGOMQ-UHFFFAOYSA-N 489.347 3.325 10 40 JGCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(OC)cc1OC 112294787 VJILQFVERBVYDU-BKUYFWCQSA-N 454.439 3.264 10 40 JGCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408966463 MVIKSXGEBBEVLY-RGVLZGJSSA-N 498.948 3.061 10 40 JGCB Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 409197114 WFSPPNJYOLXGBQ-KQWNVCNZSA-N 462.550 3.335 10 40 JGCB Cc1ccc(C)c(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1 41077748 HJESXDOAAZXNQB-PCHQCWAOSA-N 498.586 3.383 10 40 JGCB COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 409216032 DISAQORUEJLODH-AWNIVKPZSA-N 476.239 3.041 10 40 JGCB NC(=O)COc1ccc(Cl)cc1/C=C1\SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O 618254937 KKIBKWSGBFPCMR-DISPHTKASA-N 476.963 3.101 10 40 JGCB COc1ccc(N2CCN(C(=O)/C=C/c3ccc(S(=O)(=O)NCc4ccco4)cc3)CC2)cc1 9378812 GVVORBIXDYZBNN-AWNIVKPZSA-N 481.574 3.129 10 40 JGCB O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccco2)SC(=S)N1CCS(=O)(=O)O 26532465 DZAHBEWEDUYWMN-WJDWOHSUSA-N 461.546 3.221 10 40 JGCB COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C\NN3CCCC[C@@H]3c3cccnc3)C2=O)c1 8974736 JSLJZPVWYNPLOV-UWXVCKHVSA-N 451.483 3.138 10 40 JGCB CCn1c(-c2ccccc2)cnc1SCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12549685 QZNHYQNXGPLLDS-QHCPKHFHSA-N 492.601 3.173 10 40 JGCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)O)cc2)C(=O)NC1=S 59679277 MKSVUXMEKHXCFZ-SEJMYLSOSA-N 489.347 3.441 10 40 JGCB COc1ccc(OC)c(N2C(=O)/C(=C\NC3CCN(Cc4ccccc4)CC3)C(=O)N=C2S)c1 102484005 FACSLTKKVLEANM-HKWRFOASSA-N 480.590 3.001 10 40 JGCB Cc1cc(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)n1-c1ccc2c(c1)OCCO2 9130854 KZKSPZZUZIEOQF-UHFFFAOYSA-N 498.557 3.155 10 40 JGCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 9469938 NHRKVTNKYKQZIJ-FQEVSTJZSA-N 480.030 3.478 10 40 JGCB CCCC[C@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(c2ccc(OC)cc2)CC1 13505409 REAFHULLLGOSTB-XMMPIXPASA-N 498.653 3.475 10 40 JGCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(SCc4ccco4)o3)C(=O)N=C2S1 41083934 FOUCUCMUTILNFC-PEMMUPCOSA-N 450.523 3.176 10 40 JGCB COc1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(F)cc32)cc1Cl 49004058 PTZQDADPHGHHRI-UHFFFAOYSA-N 452.891 3.113 10 40 JGCB Cc1cc(/C=C2\C(=O)NC(=S)N=C2O)c(C)n1-c1cccc(I)c1 9089994 ZZDWRTZLQOXYKV-UHFFFAOYSA-N 451.289 3.453 10 40 JGCB CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1 9135534 GERIFPFTHXEAIV-XMMPIXPASA-N 450.583 3.360 10 40 JGCB COc1ccc(N(CCCC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1Cl 13674889 OAEANWWJPMLYON-UHFFFAOYSA-N 496.029 3.048 10 40 JGCB O=[N+]([O-])c1ccc(/N=N\c2ccc(O)c3c(O)cc(S(=O)(=O)O)cc23)cc1S(=O)(=O)O 104042343 CPRQPOGKOSXTEW-ZCXUNETKSA-N 469.409 3.068 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(Br)cc1OCc1cccc(F)c1 408910611 KZHNJKRQPPWLTH-VGOFMYFVSA-N 479.327 3.432 10 40 JGCB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(N(CC)CC)cc3O)c2=O)=N1 409032324 CPPYSYMQRKOYIF-DLBLZJNESA-N 491.613 3.350 10 40 JGCB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)cc1 8707827 FPBZRVZITJTSLW-UHFFFAOYSA-N 453.564 3.249 10 40 JGCB CC[C@H](C)n1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2cc(C)[nH]c2c1=O 67239110 FCMRYJKRSYYPSP-KRWDZBQOSA-N 469.611 3.454 10 40 JGCB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(/N=N\c4ccccc4)cc3)C(=O)[C@@H]12 409288163 DJOOOCAQRKAKGN-RRBCAXJNSA-N 475.457 3.367 10 40 JGCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OC)=C(C)N=3)cc1 16700078 UXNMUZTUUUKWAU-PHJXOXRPSA-N 467.616 3.316 10 40 JGCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCCc2ccc(S(N)(=O)=O)cc2)cc1 20288665 CCSSXFAPGBFEQZ-MOHJPFBDSA-N 490.585 3.200 10 40 JGCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1F)OC21C(=O)c2ccccc2C1=O 101136813 NNYTZILOBOTYDW-NJYVYQBISA-N 486.411 3.429 10 40 JGCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C 223582376 CBWCNZXEPJEGIR-FGZHOGPDSA-N 467.551 3.371 10 40 JGCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(O)c(OC)c1 408997230 MCQSOGJJEXCNHX-PDGQHHTCSA-N 453.491 3.333 10 40 JGCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N(C)C)c(Br)c3)C2=O)c1 409098024 IDDVZLQIKSOADF-GZTJUZNOSA-N 457.328 3.355 10 40 JGCB CCn1c(-c2ccccc2)cnc1SCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 9223983 DPHLCXQWFDUUCJ-UHFFFAOYSA-N 475.574 3.036 10 40 JGCB Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12627296 LGQNAVRQWQRDOB-UHFFFAOYSA-N 491.038 3.366 10 40 JGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(I)c(O)c(OC)c2)C1=O 16162419 XNJAVNOJBMVIQQ-MDWZMJQESA-N 492.269 3.234 10 40 JGCB CCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 16700566 HATZIGQXXXCIMR-IGIWSDCRSA-N 458.609 3.228 10 40 JGCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1cc(OC)c(OC)c(OC)c1 20287436 CREVMGBRCKXFER-HMAPJEAMSA-N 469.494 3.373 10 40 JGCB COc1ccc(N2CCN(C(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C)C5)CC2)cc1 21882436 QXSYEOFJWRRJHK-MRXNPFEDSA-N 466.607 3.399 10 40 JGCB O=C1C[C@H](c2ccc(C(=O)O)cc2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96221200 VQBDICKRXOZSAK-CYBMUJFWSA-N 476.393 3.422 10 40 JGCB biogenic O=C(O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 409074049 RQKPRMWJVLPITF-HMAPJEAMSA-N 472.453 3.395 10 40 JGCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)N2CCc3ccccc32)cc1 10188412 WKFJDOGDWVVUBB-XMMPIXPASA-N 486.572 3.018 10 40 JGCB COC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 35107705 ZCNNIVVAANUFDR-QPEQYQDCSA-N 465.687 3.116 10 40 JGCB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4cccs4)c(Cl)c3)C(=O)N=C2S1 41077855 HPQNAXFQWZECGF-IHCXJTTMSA-N 494.963 3.242 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cn1 108002352 LZSBMUJNGPVRMP-YVLHZVERSA-N 462.418 3.261 10 40 JGCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCCC1 408528197 FOAMITAABPGQTA-KAMYIIQDSA-N 466.885 3.101 10 40 JGCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2)cc1 408884962 ZKAYKXMTXDMXRP-KGENOOAVSA-N 478.482 3.135 10 40 JGCB CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 409187155 MVKZJXCUKSLWKY-WOJGMQOQSA-N 487.306 3.446 10 40 JGCB Cc1cc(C(=O)COC(=O)C2CCN(S(C)(=O)=O)CC2)c(C)n1-c1ccc(Br)cc1 8706828 QQIUWSAWRJPRSH-UHFFFAOYSA-N 497.411 3.254 10 40 JGCB Cc1cc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c(C)n1-c1cccc(C(F)(F)F)c1 9666572 ZRMSTFBKWYPIFV-UHFFFAOYSA-N 493.873 3.396 10 40 JGCB CCn1c(=O)/c(=C2\N(C)c3ccccc3C2(C)C)s/c1=C1/C(=O)N(c2ccccc2)N=C1C 30731252 PQYLBVYMZLBINI-YNKBYUABSA-N 458.587 3.039 10 40 JGCB COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1O[C@H](C)c1ccccc1 41077903 VCAISBCMIUMZNU-FVTWYAIRSA-N 484.559 3.456 10 40 JGCB CC[C@@H](C)[C@H](NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)C(=O)OC 1565524864 VRLFAWYUUNPJPR-IEFSCDDCSA-N 488.588 3.492 10 40 JGCB Cc1ccc(N2C(=O)C(=O)N(CC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)cc1 12554619 JFCBTZIFZKRULX-UHFFFAOYSA-N 459.458 3.309 10 40 JGCB CN(C)c1ccc([C@@H](CNC(=O)CN2C(=O)c3ccccc3C2=O)N2CCc3ccccc3C2)cc1 16914056 KXVMQVZWTQPKJZ-AREMUKBSSA-N 482.584 3.264 10 40 JGCB CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 250753459 HDYVQDHILRIKCV-YTFSRNRJSA-N 498.466 3.479 10 40 JGCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCCn4ccnc4)c4ccccc34)[C@@H]21 1616044680 RABJOXPKEQKTTI-AREMUKBSSA-N 468.561 3.191 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccncc4)c(OC)c3)C2=O)cc1 9310348 DJFMMULECHIALG-DEDYPNTBSA-N 459.458 3.344 10 40 JGCB O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C/NC1CCN(Cc2ccccc2)CC1 20479974 ZBQTYFPYCSKYQK-OQKWZONESA-N 452.624 3.258 10 40 JGCB CCOc1ccccc1N1CCN(CC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1 34878972 SNABBKTVPPYHPV-UHFFFAOYSA-N 496.633 3.145 10 40 JGCB Cc1c(N/C=C2/C(=O)N=C(S)N(CCC3=CCCCC3)C2=O)c(=O)n(-c2ccccc2)n1C 103111622 GVKPVMHVCVZYSF-CYVLTUHYSA-N 465.579 3.325 10 40 JGCB CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(N4CCOCC4)o3)C(=O)NC2=S)cc1 408856813 RHIZPUVMBQNARG-LFIBNONCSA-N 490.379 3.272 10 40 JGCB COc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 409379670 YGIPYSFWWATRNG-QNGOZBTKSA-N 471.469 3.379 10 40 JGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 9782003 UGRHRCXKCLNLOA-UHFFFAOYSA-N 479.602 3.274 10 40 JGCB COc1ccc(N2CCN(C(=O)Cc3c(C)c4cc(OC)c(OC)cc4oc3=O)CC2)cc1 13693340 RRCCVTDYUPWTCW-UHFFFAOYSA-N 452.507 3.019 10 40 JGCB CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(Br)cc3)C(=N)N21 20207037 CXNGBFNFQXIODM-NOOFILGISA-N 455.359 3.097 10 40 JGCB COC(=O)[C@@]1(CCSC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 100421149 SXKUDXNGNIIOFW-HULNYRCFSA-N 485.581 3.007 10 40 JGCB COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 8801552 FJQQSJQUHXCLOT-JOCHJYFZSA-N 459.612 3.202 10 40 JGCB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCCOc4ccccc4)cc3)C(=O)N=C2S1 41077771 MIKPCILBQINLNL-FJRYHWHXSA-N 484.559 3.156 10 40 JGCB O=C(NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)c1ccc(Br)o1 96931203 ADTFEBNZZVJKMG-ZSOIEALJSA-N 481.349 3.402 10 40 JGCB O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 9562539 PBIDNXRLUVZDIV-UHFFFAOYSA-N 454.778 3.412 10 40 JGCB COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4ccccc4Cl)CC3)CC2)cc1 24607081 OEICYJZTMGHSIC-UHFFFAOYSA-N 492.041 3.239 10 40 JGCB C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1=O 32814307 ODFXFIOCDRRGRI-CHJUCYJUSA-N 495.503 3.483 10 40 JGCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(I)c2)C(=O)NC1=S 408905580 ZMQHVXHTHICBNV-XYOKQWHBSA-N 464.284 3.137 10 40 JGCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3cccc(Br)c3)C1=O)OCO2 409097018 LIRDHLUKFSTBEB-NSIKDUERSA-N 475.320 3.408 10 40 JGCB Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)c1 9210708 JXWLPJWLMWGQSG-FEGZGKEQSA-N 490.589 3.271 10 40 JGCB COc1ccccc1N1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)CC1=O 9671118 YNQJWWQYVLCSCG-RBBKRZOGSA-N 451.567 3.322 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1ccccc1 96193615 YBOFSANYESFDMX-UHFFFAOYSA-N 461.337 3.341 10 40 JGCB COc1ccc(N2CCN(C(=O)c3ccc4c(c3)S(=O)(=O)N=C(C)N4CC(C)C)CC2)cc1 225868123 UKLGOVPZTHGQLP-UHFFFAOYSA-N 470.595 3.241 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(N)=O)cc4)c3C)C(=O)NC2=S)cc1 409009340 DKIIYZBCWLSSRP-FYJGNVAPSA-N 474.542 3.033 10 40 JGCB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 13269135 CCVJMGFEFQIPFR-IUXPMGMMSA-N 460.489 3.468 10 40 JGCB COC(=O)c1ccc(NC(=O)CSc2cc(N3CCN(c4ccc(OC)cc4)CC3)ncn2)cc1 49006820 ZESIHHPWNIEFAL-UHFFFAOYSA-N 493.589 3.329 10 40 JGCB COc1cc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc(Cl)c1OC(F)F 96935936 NEUNGDLXZLDREL-GXDHUFHOSA-N 464.943 3.483 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)O 408856096 IWKNDMLIUWONNU-VIZOYTHASA-N 458.854 3.095 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)o4)c(OC)c3)C2=O)cc1 9944288 YVCZFYWKFTZISC-WOJGMQOQSA-N 492.440 3.240 10 40 JGCB CN(C)c1ccc([C@@H](c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)N2CCOCC2)cc1 19806104 XKENEBBNLDNBCT-NRFANRHFSA-N 485.976 3.063 10 40 JGCB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 96316251 YNHWZRUZGOQGQJ-VNFMNBRXSA-N 482.584 3.331 10 40 JGCB biogenic,in-vitro O=C(NN1C(=O)/C(=C/[C@@H]2C(=O)Nc3ccc(Br)cc32)SC1=S)c1cccc(O)c1 101001321 PFSYGNIKHOXPAU-PBTLCFMXSA-N 490.360 3.280 10 40 JGCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)S1 409092653 VZDHHVLIZACEFF-MHWRWJLKSA-N 481.349 3.323 10 40 JGCB CCOc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)O)c3)C(=O)NC2=S)cc1 8451754 GDKFVSLAMZTCHS-XSFVSMFZSA-N 461.499 3.406 10 40 JGCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1O[C@H](C)C(=O)O 33850001 MQGXPUXZWAPJFP-CDCQXCROSA-N 475.295 3.161 10 40 JGCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)C1 260803020 XAEXGRNVNQQTJN-PMACEKPBSA-N 471.623 3.435 10 40 JGCB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 260813218 QSCUDAPMLVQYCX-RTBURBONSA-N 459.612 3.429 10 40 JGCB COC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 408854283 BNRFBURTNSCSQU-UKTHLTGXSA-N 465.314 3.377 10 40 JGCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 409189055 HZJQMFXRVAWPAJ-GZTJUZNOSA-N 462.439 3.174 10 40 JGCB COc1ccc(N2CCN(CC(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)CC2)cc1 8885108 WDJBFEZMGGARAP-UHFFFAOYSA-N 497.949 3.233 10 40 JGCB COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc4nc(-n5cccc5)sc4c3)CC2)cc1 12324525 IICPOEPKZSGCIF-UHFFFAOYSA-N 475.574 3.174 10 40 JGCB CCN(CC)CCOC(=O)c1ccc(N/C=C2/C(=O)NC(=S)N(C3CCCCC3)C2=O)cc1 16955838 VYZRBWQDLYXDAI-SILNSSARSA-N 472.611 3.057 10 40 JGCB O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-])Nc1ccc(F)cc1 33720950 NZNOJMAUHQPSTJ-UYRXBGFRSA-N 476.420 3.213 10 40 JGCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/Nc1ccc(N2CCOCC2)c(Br)c1 102047936 WCAFGIBTDOTXNV-DTQAZKPQSA-N 487.379 3.029 10 40 JGCB COc1cccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1OCC(=O)Nc1ccccc1 408695790 ZKYDAPULJSTMJS-XMHGGMMESA-N 463.490 3.117 10 40 JGCB COc1ccccc1N1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)CC1=O 9671112 YNQJWWQYVLCSCG-IRLDBZIGSA-N 451.567 3.322 10 40 JGCB CCC[C@@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(c2ccc(OC)cc2)CC1 13505400 GADLPXFDGNSMAG-QHCPKHFHSA-N 484.626 3.085 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 113834930 GIDNLACUZASXIS-RQZCQDPDSA-N 460.489 3.468 10 40 JGCB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)c1 216261680 DJCNTSYFINOCJA-UHFFFAOYSA-N 455.624 3.453 10 40 JGCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408528854 FNCUIYUUIOJNAJ-IUXPMGMMSA-N 458.408 3.410 10 40 JGCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 409069200 WQNVTUZPFGBOBQ-DEDYPNTBSA-N 493.453 3.029 10 40 JGCB COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3cc(F)ccc3F)c3ccco3)CC2)cc1 16953894 RTTALBQNGVAIED-OAQYLSRUSA-N 477.533 3.408 10 40 JGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cccc4c3C(=O)c3ccccc3C4=O)C2=O)cc1 102436561 LHPIFSYEGPEYMZ-UYRXBGFRSA-N 451.438 3.349 10 40 JGCB CC(=O)[C@H](/N=N\c1ccc(S(=O)(=O)Nc2nncs2)cc1)C(=O)Nc1ccccc1C 104123635 ZIKAYCNSRMNLHB-ANZZGNCFSA-N 458.525 3.327 10 40 JGCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1O 15012465 CDLDUGHRSNFQKV-AUWJEWJLSA-N 492.269 3.289 10 40 JGCB COc1cc(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc(OC)c1C 95927147 KYNFBIRRHQRZFL-UKWGHVSLSA-N 486.571 3.372 10 40 JGCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C 223583597 KCNXYADOBVKEIP-FGZHOGPDSA-N 467.551 3.371 10 40 JGCB CCN(CC)c1cc2[nH]c(O)nc2cc1N/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 408534901 RQRGSQQHWBWYQV-VAWYXSNFSA-N 468.901 3.347 10 40 JGCB CCOc1cc(I)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 408866602 HDEPGRKEYMFIPN-ZROIWOOFSA-N 480.233 3.495 10 40 JGCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(O)c(I)c1 409142400 LCNNERHARADUQE-ZROIWOOFSA-N 450.257 3.397 10 40 JGCB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 9257527 BZDIHDDQKGYEMR-UHFFFAOYSA-N 460.398 3.174 10 40 JGCB COC(=O)Cn1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 16189873 WPBSWYMPYJXJAQ-YVLHZVERSA-N 498.358 3.408 10 40 JGCB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 28208485 KBZBORYTOHNEKA-UHFFFAOYSA-N 459.612 3.007 10 40 JGCB O=C1C[C@@H](c2ccc(C(=O)O)cc2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96221199 VQBDICKRXOZSAK-ZDUSSCGKSA-N 476.393 3.422 10 40 JGCB biogenic COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1 408891445 QONASTYPBWBHMQ-KGENOOAVSA-N 492.509 3.438 10 40 JGCB O=C(COc1ccc(Br)cc1C=C1C(=O)NC(=S)NC1=O)Nc1ccc(Cl)cc1 409224738 LLBONGPDDOSGHQ-UHFFFAOYSA-N 494.754 3.034 10 40 JGCB COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 8801553 FJQQSJQUHXCLOT-QFIPXVFZSA-N 459.612 3.202 10 40 JGCB CCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S 8997641 IHVWPUSEUNEJDZ-XDJHFCHBSA-N 495.605 3.381 10 40 JGCB CN(C)c1ccc(/C=C2\N=C(SCC(=O)NC(N)=O)N(c3ccc(OC(F)F)cc3)C2=O)cc1 9033893 AFCVIKMFCRBEPC-BOPFTXTBSA-N 489.504 3.026 10 40 JGCB CCc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5C=CSC5=NC4=O)cc3)nc2s1 20332064 PODQLDYNCJWQBK-PRZRADHTSA-N 464.532 3.069 10 40 JGCB COc1ccc(N2CCN(c3nnc(SCC(=O)NCc4ccc(F)cc4)s3)CC2)cc1 23139981 PZWBRZHKJAOUCI-UHFFFAOYSA-N 473.599 3.421 10 40 JGCB CCC(=O)Oc1ccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C(F)(F)F)cc1OC 27834343 VOTKKINARGPNEP-GDNBJRDFSA-N 497.451 3.007 10 40 JGCB CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc3c(c2)OCO3)C(=O)N(C)C1=S 59140068 BPKILVVVUHBYJE-UHFFFAOYSA-N 489.347 3.356 10 40 JGCB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OCC 408989493 KVAHZSJRDOEFPT-XDHOZWIPSA-N 482.558 3.475 10 40 JGCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)C(=O)NC1=S 409010827 LTAMJLKLBMNQLQ-RVDMUPIBSA-N 476.352 3.018 10 40 JGCB COc1ccc(O)c(CN2CCC3(CCCCOCCCNC(=O)[C@H](CC(C)C)NC3=O)CC2)c1 643581706 SOGGVABQHPFIBQ-QHCPKHFHSA-N 489.657 3.221 10 40 JGCB CCn1c(=O)/c(=C2/Sc3ccccc3N2C)s/c1=C1/C(=O)N(c2ccc(Cl)cc2)N=C1C 33908602 SDHGAJDQRTYJPQ-YLRGQORSSA-N 483.018 3.464 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OC(C)=O 107876365 VLJTVYIPDYKDNP-JYRVWZFOSA-N 465.687 3.498 10 40 JGCB COc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OC(=O)c2ccc3c(c2)OCO3)C1=O 408538249 ZNBGCPXAUMQTGG-ATVHPVEESA-N 486.436 3.310 10 40 JGCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408541615 GXNDTZKTCRZWEW-UHFFFAOYSA-N 491.544 3.334 10 40 JGCB CCN1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2396598 VYYDCDJOMBDWJO-ZCWPUFOUSA-N 466.588 3.370 10 40 JGCB O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 8435018 CKANWESAFBMMEM-XGICHPGQSA-N 466.085 3.402 10 40 JGCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cccn1-c1ccc(I)cc1 408695143 QPSSGRJLBIFEGO-SFQUDFHCSA-N 475.286 3.486 10 40 JGCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 408956592 XRVYACQTLYIFAE-AWNIVKPZSA-N 489.278 3.252 10 40 JGCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(CC(=O)N2CCCCCC2)c2ccccc12 409143602 GLRBQMTVROXITH-KGENOOAVSA-N 474.517 3.299 10 40 JGCB COCCN1C(=O)/C(=C/c2cn(CCOc3ccc(OC)cc3)c3ccccc23)C(=O)NC1=S 6288637 NBRHHIJPKBJAOM-RCCKNPSSSA-N 479.558 3.002 10 40 JGCB CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)C(=O)N(C)C1=S 9260222 IFQBTOJVWXQTEE-UHFFFAOYSA-N 488.363 3.065 10 40 JGCB COCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(N3CCCCC3)cc1)n2Cc1ccccc1 32668261 WSMACNWXFHDISN-UHFFFAOYSA-N 459.550 3.238 10 40 JGCB O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c2ccccc21)Nc1ccccc1 409390061 DLZCYIKNTBQUAD-KGENOOAVSA-N 465.469 3.341 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)c2C)cc1 2644029 XUQYCZHQMXJSTL-MHZLTWQESA-N 471.513 3.457 10 40 JGCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc2c(c1)OCO2 9739049 SANYDBREUZBOHW-SANMLTNESA-N 489.484 3.201 10 40 JGCB COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)Nc3ccccc3C)CC2)cc1 22698757 XNWLMXBIAWKRHU-UHFFFAOYSA-N 476.577 3.135 10 40 JGCB O=C(C[C@H](c1c(O)nc2ccccn2c1=O)c1ccnc2ccccc12)NCCc1ccc(O)c(O)c1 217755375 SKBMBBDTRHXTTL-FQEVSTJZSA-N 496.523 3.240 10 40 JGCB biogenic Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N3CCCCC3)C2=O)c1 408531907 PBQZCRIPNLIKDW-DTQAZKPQSA-N 460.494 3.146 10 40 JGCB COC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 408785930 JYUOHTZVESOROO-LICLKQGHSA-N 487.306 3.284 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OC 408945378 WJLUUCGKTQTBNS-RIYZIHGNSA-N 490.266 3.431 10 40 JGCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)o1 408956425 WRIIJRMFHCYNJK-LICLKQGHSA-N 460.398 3.348 10 40 JGCB Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCC(=O)O)C1=O 9281158 JFVDWGCNLORNCJ-VBKFSLOCSA-N 467.528 3.471 10 40 JGCB CCOC(=O)c1c(N/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)sc2c1CCCC2 408530142 ITTIMYWMLJMCKC-SAPNQHFASA-N 467.547 3.421 10 40 JGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O[C@H](C)C(=O)O)cc3)C2=O)c(OCC)c1 408934728 CVEPFJBUAQDTPT-IIMQCXAKSA-N 468.462 3.002 10 40 JGCB COc1ccc(CN2C(=O)/C(=C/c3c(NCCCO)nc4ccc(C)cn4c3=O)SC2=S)cc1 2272932 MBGZMLLZVAKIIQ-UNOMPAQXSA-N 496.614 3.207 10 40 JGCB COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3nccs3)C2=O)cc(OC)c1OC 13400240 APOSZQDQRUAFAU-UVTDQMKNSA-N 465.578 3.399 10 40 JGCB CC[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714507 OPIVGSZAIVMMNR-NRFANRHFSA-N 466.003 3.242 10 40 JGCB COc1ccc(N2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)cc1 34854340 APBLFRWIBAJJFQ-UHFFFAOYSA-N 460.556 3.105 10 40 JGCB O=C(NC[C@H]1OC[C@@H](N(Cc2ccccc2O)Cc2ccccc2O)[C@@H]1O)Nc1ccccc1 77263637 ODWKFSZDHGAJQS-SDUSCBPUSA-N 463.534 3.050 10 40 JGCB biogenic,in-vitro Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1 8870083 FUSQSDAIMAQJSC-OGBKAESYSA-N 454.573 3.398 10 40 JGCB COc1ccc(Br)cc1S(=O)(=O)N(C)Cc1ccc(N2CCOCC2)cc1 12634155 NUWDKBRVGVQBOR-UHFFFAOYSA-N 455.374 3.115 10 40 JGCB Cc1cc(C(=O)CN2CCN(CC(=O)NC3CC3)CC2)c(C)n1-c1ccc(OC(F)(F)F)cc1 22793726 JVDGTMXZRLQLOL-UHFFFAOYSA-N 478.515 3.072 10 40 JGCB O=C1c2ccccc2C(=O)c2c1c(C(=O)N1CCN(CCc3ccncc3)CC1)c1ccccn21 95480597 GMYSPOSERRSNMY-UHFFFAOYSA-N 464.525 3.110 10 40 JGCB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCC(N)=O)SC2=S)c(Cl)c1 409149421 FYNTXIGFRDAQDF-CXUHLZMHSA-N 461.952 3.059 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(N)=O 409222605 CNBBPADNEUMAEA-NYYWCZLTSA-N 498.706 3.186 10 40 JGCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\NN1CCCC[C@@H]1c1cccnc1 2101140 BBHOMUNUAXFZEW-MTMYEVCSSA-N 470.327 3.043 10 40 JGCB biogenic O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccccc1)N[C@H]1CCS(=O)(=O)C1 9126837 VTMWIMOCGAQQHO-IBGZPJMESA-N 459.568 3.133 10 40 JGCB COc1ccc(N2CCN(C(=O)Cn3c(-c4cccc(Cl)c4)nc(C)cc3=O)CC2)cc1 57526944 QTROXEFFLYXWQO-UHFFFAOYSA-N 452.942 3.230 10 40 JGCB CCN1CCC[C@@H]1CNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1616044617 IQKLBBYSBJXNNQ-WINIVTDRSA-N 471.605 3.389 10 40 JGCB CCOCCCN1C(=O)/C(=C/c2c(NC[C@H]3CCCO3)nc3c(C)cccn3c2=O)SC1=S 9018987 HRTNUQQPVLQELX-OKSBFYSISA-N 488.635 3.222 10 40 JGCB Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 9282715 MUNSPCPBRXFFFY-VYIPLNHISA-N 494.552 3.101 10 40 JGCB COC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(OC)=C1c1ccc(O)c(O)c1 31162741 ABJOCPBDVGJFLG-RUZDIDTESA-N 454.475 3.381 10 40 JGCB biogenic,in-vitro CN1C[C@H](c2ccccn2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccccc12 33369978 RNVQQSNUVRKHEQ-CQLNOVPUSA-N 476.583 3.351 10 40 JGCB COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(F)cc3)c3cccnc3)CC2)cc1 56896364 KEICSSLKPVZVKA-XMMPIXPASA-N 470.570 3.071 10 40 JGCB CN1C[C@@H](c2ccccn2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12C(=O)Nc1ccccc12 102768773 RNVQQSNUVRKHEQ-PKKBDPGCSA-N 476.583 3.351 10 40 JGCB CCOc1cccc([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)c1O 4126794 OJTGKXVLSPYBII-FUSMBFRDSA-N 466.534 3.106 10 40 JGCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1O[C@H](C)C(=O)OC 33664946 LANRGVQORJAMFM-YDRQLGOLSA-N 489.322 3.250 10 40 JGCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)Cc1ccccc1Cl 222975634 JYYQOMQQKWNUMA-UHFFFAOYSA-N 450.004 3.408 10 40 JGCB COc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc(I)c1O 977359 ZURBOUZTAZWOLJ-UHFFFAOYSA-N 452.200 3.188 10 40 JGCB CCCCCCN1C(=O)/C(=C/c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 8892532 JYSZMTURPBKJJH-SDXDJHTJSA-N 499.662 3.178 10 40 JGCB CCN(CC)CCC[C@@H](C)N/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 20171343 TZZPMFNXUHSWLT-CPZHOGDASA-N 451.365 3.016 10 40 JGCB CN(Cc1ccccc1)Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNCc3ccccc3O)O2)no1 96268989 YHYJXVIEQWCWRM-UCGXPXSYSA-N 451.567 3.253 10 40 JGCB biogenic,in-vitro CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 223444413 FEYXIIARFKFZTK-FQEVSTJZSA-N 451.976 3.030 10 40 JGCB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 9704272 XSQTUVILNZDIJC-UHFFFAOYSA-N 457.438 3.434 10 40 JGCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1O[C@H](C)C(=O)OCC 108204720 YKNPXXRMIUDQLW-ZHTGWBIJSA-N 450.491 3.216 10 40 JGCB Cc1ccc(C)c(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 408662230 NRHYQJXNDCJZIR-FUPPJEDESA-N 460.530 3.348 10 40 JGCB COc1cc(/C=C2/C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)ccc1OS(C)(=O)=O 6338306 LFNVVVUWVCCPKJ-HUHIGAQKSA-N 470.532 3.009 10 40 JGCB O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1cc(Br)ccc1O 8435021 DQAOTSSEVUNJJB-JYRVWZFOSA-N 485.075 3.221 10 40 JGCB CCN(CC)c1ccc([C@H]2N(C(=O)N3CCOCC3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 8671544 BNTHZLHXWLVFTK-DEOSSOPVSA-N 486.638 3.299 10 40 JGCB CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 8738399 WAQPVZZUTIETAM-CQUHBBLWSA-N 488.635 3.222 10 40 JGCB COc1ccc(CN(C(=O)COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)C2CC2)cc1 12521774 WAWZDYQHKZDVBP-UHFFFAOYSA-N 484.508 3.401 10 40 JGCB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 20479278 ZTJZKQXALGIUSZ-CURYZJDOSA-N 468.469 3.073 10 40 JGCB CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H](CN=[N+]=[N-])[C@H](N=[N+]=[N-])[C@@H]1NC(=O)c1ccccc1 25692914 SPFNVFAVFSPQCN-QXQWVWGKSA-N 464.486 3.221 10 40 JGCB COc1ccc(-n2c(C)cc(C(=O)OCC(=O)N(c3ccccc3)[C@@H]3CCS(=O)(=O)C3)c2C)cc1 49581382 UKBLMZZNEABLOW-JOCHJYFZSA-N 496.585 3.480 10 40 JGCB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=S)N(c2cccc3ccccc23)C1=O 20357409 IBYAIFGVQKACKH-GFCAVMEOSA-N 498.564 3.327 10 40 JGCB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 22735312 KKHQSDKVEDQISA-XMMPIXPASA-N 484.044 3.074 10 40 JGCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)c1 409153393 HWQVOHLRVDNFMM-MOSHPQCFSA-N 482.518 3.415 10 40 JGCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC(C)C)cc3)C(=O)NC2=S)cc1 409184894 OXSGINBPPWDSNZ-DEDYPNTBSA-N 468.531 3.247 10 40 JGCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 409336561 POTYKNXEANMUGF-UUASQNMZSA-N 457.280 3.446 10 40 JGCB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\NN1CCCC[C@H]1c1cccnc1 9282727 JRPMUIJJHGRRBA-FDWYHIAWSA-N 459.428 3.299 10 40 JGCB CCn1c(=O)n(CC)c2cc(N/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)ccc21 408527310 DHSMTXWIXRFZFH-VBKFSLOCSA-N 453.886 3.075 10 40 JGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCCC1 408533192 RQCGZLFTKNXFEQ-KAMYIIQDSA-N 466.885 3.101 10 40 JGCB CCOc1ccccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408670823 YFZGVSCVOLCXGX-SJBKTWHCSA-N 476.529 3.130 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3O)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 6226319 VJGBAKIZFNXENT-IMEWXKHHSA-N 498.004 3.223 10 40 JGCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N(CCO)Cc3ccccc3)C2=O)cc1 8819141 QPVQZBOINHEGIJ-ZHZULCJRSA-N 456.589 3.308 10 40 JGCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc(Cl)cc3)N3CCCC3)ccc21 9135496 FTLZGOHMMFIRSM-HSZRJFAPSA-N 455.002 3.292 10 40 JGCB CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)C2=O)cc1 13662081 YMGAZZXHMLAKGP-DZBQEORWSA-N 452.463 3.339 10 40 JGCB Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1C 16267918 RATXMTFIGGYUPG-WQLSENKSSA-N 475.255 3.259 10 40 JGCB CCn1c(CN2CCCc3cc(OC)ccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 22015295 UZKBKSMCQKZZAE-UHFFFAOYSA-N 470.595 3.039 10 40 JGCB C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1=O 32814305 ODFXFIOCDRRGRI-FEIADIGBSA-N 495.503 3.483 10 40 JGCB O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O)N1CCOCC1 408578618 ZHEXBLLOZIWOBJ-UYRXBGFRSA-N 458.536 3.469 10 40 JGCB O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCO2 408721886 BAWCGVLUXHCCNI-XCVCLJGOSA-N 466.258 3.462 10 40 JGCB Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccccc1F 9282675 KMPKKINBHCFTBA-FDLDKBQRSA-N 494.552 3.101 10 40 JGCB Cc1ccc(N2C(=O)/C(=C\c3ccc(I)o3)C(=O)NC2=S)cc1C 9934883 BYQRMLYCEZEYIX-JYRVWZFOSA-N 452.273 3.332 10 40 JGCB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(C)n1-c1ccccc1F 12596398 UIWUFIKCOIZODV-UHFFFAOYSA-N 499.564 3.151 10 40 JGCB Cc1ccc(C)c(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1 20205912 IHMQOHMPPZEDPM-PCHQCWAOSA-N 498.586 3.383 10 40 JGCB N=C1/C(=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)C(=O)N=C2SC=NN12 6245467 DENRIVXGJUSBEW-TUQWILOLSA-N 491.348 3.466 10 40 JGCB CC[C@H](CO)Nc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 16736174 LAQYWVLWSCVCTM-CJMVGXJBSA-N 484.578 3.418 10 40 JGCB COC(=O)c1c(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)sc2c1CCCC2 59109605 DLRQEUYOEXTPTR-UHFFFAOYSA-N 455.536 3.255 10 40 JGCB COc1ccc(N2CCN(C(=O)Cn3cnc4c(cnn4-c4ccc(C(C)C)cc4)c3=O)CC2)cc1 67207296 NMEUCZPZYFZACQ-UHFFFAOYSA-N 486.576 3.063 10 40 JGCB COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(SC)cc4)CC3)CC2)cc1 408693907 BBMZANXFWOZRLA-UHFFFAOYSA-N 489.663 3.167 10 40 JGCB COc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 8926089 LWIKTGSKAFPMNH-FKBYEOEOSA-N 453.450 3.390 10 40 JGCB biogenic C[C@@H]1CCC[C@H](NC(=O)Cn2c(=O)/c(=C\c3ccc(N(C)C)cc3)s/c2=C\C(=O)C(C)(C)C)[C@@H]1C 13097218 XTUCJUIMBLKLHX-DQEIYFKHSA-N 497.705 3.141 10 40 JGCB COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 109343610 KLWNVOQJCGJPPU-ZHZULCJRSA-N 459.414 3.284 10 40 JGCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(Br)c1 10113557 IEYXRADFICKCGQ-UHFFFAOYSA-N 466.401 3.132 10 40 JGCB Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1Cc1ccccc1 13769506 RKODTNGYFUEDSI-FEGZGKEQSA-N 490.589 3.021 10 40 JGCB Cc1ccccc1OCCCOc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1 41077779 XXXJXUZJYMETGZ-CQNRAENFSA-N 498.586 3.464 10 40 JGCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccn1 223130735 SSDRCTNRLSAWBV-ZEQRLZLVSA-N 462.623 3.189 10 40 JGCB CS(=O)(=O)N(CCCC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCCO2 224370323 ZHWIOBRIMYGBFY-UHFFFAOYSA-N 487.622 3.311 10 40 JGCB CCN(CC)c1ccc(CN(C(=O)c2cc(=O)c3ccccc3o2)[C@H]2CCS(=O)(=O)C2)cc1 8612303 KAGLUGXDQRXMAI-FQEVSTJZSA-N 468.575 3.469 10 40 JGCB C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 225026922 GYECPFOXGFNYBU-MRXNPFEDSA-N 451.539 3.426 10 40 JGCB Cc1cc(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(C)n1-c1ccc2c(c1)OCCO2 9441959 JMXMIOQGDCLZGA-UHFFFAOYSA-N 461.430 3.252 10 40 JGCB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2sc3nc(C)cc(C)c3c2N)c1 29033376 FGGKCWNIWYOSSD-UHFFFAOYSA-N 490.607 3.321 10 40 JGCB CN1C(=O)C(=Cc2ccc(OCc3ccc(I)cc3)cc2)C(=O)N(C)C1=S 59139343 VGRHSXMAGXEQAJ-UHFFFAOYSA-N 492.338 3.469 10 40 JGCB COC(=O)CC(=O)C[C@@](N[S@@](=O)C(C)(C)C)(c1ccc(N2CCOCC2)cc1)c1ccsc1 936069163 YKRQQUHBXKVNRD-IANOAQMISA-N 492.663 3.402 10 40 JGCB COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C 223599449 XUZABEKWQQEZMJ-FGZHOGPDSA-N 450.564 3.241 10 40 JGCB COc1ccc(N2CCN(C(=O)C[C@H]3SC(=S)N(Cc4ccccc4)C3=O)CC2)cc1 8814388 PFIWIAQZRJXPNC-HXUWFJFHSA-N 455.605 3.163 10 40 JGCB CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 15012513 JMPYIOPFPDEMTC-BOPFTXTBSA-N 473.279 3.057 10 40 JGCB CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)NC(=O)N(c4c(C)cc(C)cc4C)C3=O)ccc21 408533034 NWKQTRKNKKBGNB-QGOAFFKASA-N 461.522 3.347 10 40 JGCB Cc1ccc(C)c(N(CCCC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 13671623 PSCUSQNLQIWPCJ-UHFFFAOYSA-N 459.612 3.003 10 40 JGCB CCOC(=O)Cn1cc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c2ccccc21 19877649 WISORWRNAFBANY-ZDLGFXPLSA-N 451.479 3.175 10 40 JGCB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\NC1CCN(Cc2ccccc2)CC1 2268558 ZWUDSLYDPLCVST-ZHZULCJRSA-N 472.467 3.426 10 40 JGCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OC 1865702 JHYDBYHOPJKCAC-MHWRWJLKSA-N 475.504 3.167 10 40 JGCB COc1ccc(N2C(=O)/C(=C\c3cc(Br)cc(OC)c3OC)C(=O)NC2=S)cc1 9260361 NOWPVOYAFWFFMR-DHDCSXOGSA-N 477.336 3.306 10 40 JGCB CN(C)c1ccc(CN(C(=O)C2=C(c3ccccc3)SCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 20745922 IDJJTYDDAUBUQS-OAQYLSRUSA-N 472.632 3.401 10 40 JGCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12 27021265 KUYQNCUNDTXYKQ-RGEXLXHISA-N 495.605 3.300 10 40 JGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 35078470 LJTBTCNJNFZWLX-ZDLGFXPLSA-N 459.414 3.364 10 40 JGCB CC(C)N1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 13752170 HITHANKOPCUWQM-ZCWPUFOUSA-N 466.588 3.450 10 40 JGCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 57670849 KRZVIZYSAQBFIG-FQEVSTJZSA-N 450.499 3.063 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)C2=O)cc1 408938659 QVXAGHAUVIDEQF-JCMHNJIXSA-N 492.509 3.438 10 40 JGCB Cc1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 409146922 VPAZHKFJMINVIW-PDGQHHTCSA-N 467.551 3.249 10 40 JGCB Cc1ccc(-n2nnnc2SCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 24981862 IKFVJLGRYXTSAJ-JOCHJYFZSA-N 466.611 3.337 10 40 JGCB CC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@@H](CN=[N+]=[N-])[C@H](N=[N+]=[N-])[C@@H]1NC(=O)c1ccccc1 39945513 SPFNVFAVFSPQCN-YIUJWAEMSA-N 464.486 3.221 10 40 JGCB Cc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=O)OC4(CCCC4)OC3=O)cc2)cc1[N+](=O)[O-] 58866262 PIEXROSDJDWIMT-UHFFFAOYSA-N 473.459 3.425 10 40 JGCB COc1ccc(CN2C(=O)[C@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100415097 FEWAORISZYGSDB-VJBWXMMDSA-N 467.477 3.386 10 40 JGCB COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(OC)c1 100716704 BNLUUXSORDROHV-VABKMULXSA-N 483.476 3.399 10 40 JGCB CC(=O)N(C(=O)CC(=O)N1N=C(C)[C@H](/N=N\c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Cl)cc1 104306195 BWYKHKMSRWKBEB-NVWMPKGRSA-N 484.856 3.415 10 40 JGCB COc1cccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1OCc1cccc(C(=O)O)c1 408695452 VFKHUSWSDFNPTJ-CPNJWEJPSA-N 464.474 3.377 10 40 JGCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c1O[C@@H](C)C(=O)O 409229046 IWPPORVNVUBMMH-ZRRZQRFHSA-N 460.895 3.032 10 40 JGCB O=C1NC(=S)S/C1=C/c1cc(I)cc(I)c1O 16383179 MTXFHQBVVNDUTF-FARCUNLSSA-N 489.097 3.090 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1OC 27530617 AJLBGRPAGSZHKW-CAOOACKPSA-N 475.504 3.158 10 40 JGCB CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)N(CC(=O)OC)C2=S)cc1 409060505 WTIRWNRFKGHYHG-JWGURIENSA-N 465.575 3.233 10 40 JGCB Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1NC(=O)c1ccccc1 409213721 UKAJNIFHVYJQTJ-BKUYFWCQSA-N 475.480 3.159 10 40 JGCB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(C)n1-c1ccccc1 33029040 FPOQOGFHXQAVLJ-UHFFFAOYSA-N 481.574 3.012 10 40 JGCB COc1ccc(N2CCN(C(=O)CCn3nc(-c4ccc(Cl)cc4)ccc3=O)CC2)cc1 41252177 WUFMOFDCFJRUEN-UHFFFAOYSA-N 452.942 3.311 10 40 JGCB COc1cc(Br)c(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC 408916868 HQDHPBDFOQABCT-QPEQYQDCSA-N 465.300 3.437 10 40 JGCB Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)cc1 9210098 JROIETWFUCPGNC-FEGZGKEQSA-N 490.589 3.271 10 40 JGCB CCOC(=O)[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1OC 35225049 YJLHBBGXXCKKEH-GPLLRDDGSA-N 489.322 3.250 10 40 JGCB Cc1cc(C(=O)CN(C)Cc2cccs2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 36452473 FKBTVTGCHCLJJG-UHFFFAOYSA-N 487.647 3.491 10 40 JGCB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 60021083 NTMUAHCGKHQVRK-UHFFFAOYSA-N 468.623 3.220 10 40 JGCB COc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)cc1OC 101156924 SAYDYYCTSDEPKJ-YTFSRNRJSA-N 483.476 3.399 10 40 JGCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)c(OC)c1 408755064 YDJAWQBTUYGOKA-FCKOQQNDSA-N 491.613 3.263 10 40 JGCB COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NC3CCCCCC3)c3ccco3)CC2)cc1 56946161 GXTFGRGDVFNUST-QHCPKHFHSA-N 468.598 3.107 10 40 JGCB CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)OC)c(OC)c3)C(=O)NC2=S)cc1 107788004 IYDAGBWOZGVMJC-CXUHLZMHSA-N 488.949 3.294 10 40 JGCB COc1ccc([C@H](c2sc3ncnn3c2O)N2CCN(c3ccc(OC)cc3)CC2)cc1 22609483 XDXUJFZVYJOWQU-HXUWFJFHSA-N 451.552 3.425 10 40 JGCB CCN(CC)c1ccc(CNC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 223411986 YUNAVTVWSFNCMM-UHFFFAOYSA-N 475.611 3.167 10 40 JGCB O=C(COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)NC1CCCCCC1 13108226 RRZSSKQXUKBQAF-UHFFFAOYSA-N 450.447 3.366 10 40 JGCB Cc1cc(C(=O)CN(C)CC(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 29861873 XXMOTZKSGCFJNF-UHFFFAOYSA-N 488.997 3.148 10 40 JGCB CCCCC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(C(=O)OC(C)(C)C)c1C 40476941 YARXEFFGAMWTIO-UHFFFAOYSA-N 451.570 3.211 10 40 JGCB Cc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(N(C)C)cc2)ccc1-n1cnnn1 934238 LFVIFKMKNZYEQM-UHFFFAOYSA-N 462.579 3.428 10 40 JGCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 13496618 BEDQUUBBDQKKCL-STZFKDTASA-N 481.464 3.158 10 40 JGCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OC(C)=O 107897508 BTKZSJDVUPADMA-DHDCSXOGSA-N 492.269 3.077 10 40 JGCB Cc1cc(C(=O)CSc2nnnn2C[C@H]2CCCO2)c(C)n1-c1ccc2c(c1)OCCO2 9220803 WQZNYKVKRMJQOB-QGZVFWFLSA-N 455.540 3.006 10 40 JGCB CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCCC1 13008106 RKCGXWWCMTXFCX-HSZRJFAPSA-N 450.583 3.360 10 40 JGCB CCOc1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 408664887 PPWIDYGJXCVZTJ-XPWALMASSA-N 476.529 3.130 10 40 JGCB O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(S(=O)(=O)N2CCCC2)c1 12561802 KYTARWFSBVEADY-UHFFFAOYSA-N 460.511 3.499 10 40 JGCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(COc4ccccc4)o3)CC2)cc1 12640608 KPUOPTFINGYNOQ-UHFFFAOYSA-N 450.491 3.373 10 40 JGCB COC(=O)C1=CN(C2CC2)c2cc(N3CCN(c4cccc(C)c4)CC3)c(F)cc2S1(=O)=O 33140736 BOLQLZUIFQHQRR-UHFFFAOYSA-N 471.554 3.231 10 40 JGCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1O[C@H](C)C(=O)O 409252870 YCLJPTPJRYRHKF-HGLKBHAMSA-N 460.895 3.032 10 40 JGCB O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 13613636 ZMOKEFPLXPABQT-UHFFFAOYSA-N 478.014 3.281 10 40 JGCB O=C1N=C(O)/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C(=O)N1c1ccc(Br)cc1 83327230 OEUXGSPWHACLHC-WUXMJOGZSA-N 477.183 3.478 10 40 JGCB Cc1cc(-c2cn3cccc(O)c3n2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 96316508 IYHPGHUUWWGKPT-UHFFFAOYSA-N 452.536 3.135 10 40 JGCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(NC(=O)c4ccccc4)c3)CC2)cc1 408557778 NYWCLLZPHBSXEY-UHFFFAOYSA-N 481.574 3.467 10 40 JGCB O=C(O)CN1C(=O)/C(=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC1=S 40221175 MSQIGQSLTQCGIH-ZROIWOOFSA-N 473.919 3.426 10 40 JGCB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1cc2ccccc2nc1N1CCOCC1)CC3 95613830 LILRYORFNPHOOB-VKAVYKQESA-N 454.486 3.424 10 40 JGCB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1C 107757128 RPIMFIWRANZLQJ-HKWRFOASSA-N 457.486 3.483 10 40 JGCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1cc2c(cc1Br)n(C)c(=O)n2C 408537279 ZUDDYFACTDKTSI-UVTDQMKNSA-N 458.291 3.497 10 40 JGCB CCc1cccc2c(/C=C3\SC(=S)N(CCOC)C3=O)cn(CC(=O)NC[C@H]3CCCO3)c12 409141165 IXLXNEFUVUXBGB-BDBXIWDTSA-N 487.647 3.347 10 40 JGCB COCCNC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc4ccccc4c3)C2=O)c2ccccc21 6136186 UIQNHGUHGBNHLE-HZHRSRAPSA-N 496.523 3.224 10 40 JGCB CCN(CC)c1ccc(CN(C(=O)c2cc3ccccc3oc2=O)[C@H]2CCS(=O)(=O)C2)cc1 9280917 CBNKLVNDUKDSAD-NRFANRHFSA-N 468.575 3.469 10 40 JGCB COc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)cc(OC)c1OC 21359418 QJKUSPLZMNFSQK-UHFFFAOYSA-N 458.536 3.492 10 40 JGCB CCOC(=O)[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] 34735845 MOKRXLVHXGTRPX-KPENOIPVSA-N 459.842 3.040 10 40 JGCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1O[C@H](C)C(=O)O 108949514 HWQJCYUMXZOTEO-CDCQXCROSA-N 475.295 3.161 10 40 JGCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(I)c1O 409089584 JDNOVTYFSYSBQH-QVASGMJFSA-N 477.345 3.386 10 40 JGCB Cc1nccn1CCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1565524416 MDNFLMGPDOVKOK-MHZLTWQESA-N 482.588 3.500 10 40 JGCB CC[C@H](C)[C@@H](CO)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1616044676 QGUDVNUGAKWEDG-GYDRKIPBSA-N 460.578 3.311 10 40 JGCB COc1ccc(N2CN=C3S[C@H](CC(=O)Nc4ccccc4)C(=O)N3C2)c(OC)c1Cl 72333002 VOKNCBSAWPJLHU-MRXNPFEDSA-N 460.943 3.421 10 40 JGCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCN(C)CC1 408531692 LEMZWYRDEGBXIN-RGEXLXHISA-N 459.554 3.356 10 40 JGCB CCc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 408665742 QEIXDEANYPIWKI-VABKMULXSA-N 460.530 3.293 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)c(C)c1 409238833 NYOLLZFDOOAMOC-UDWIEESQSA-N 458.474 3.251 10 40 JGCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3C(=O)O)C2=O)cc1OC 8819386 LMCMGXGPHMJPPZ-YVLHZVERSA-N 458.517 3.242 10 40 JGCB Cc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1 41077758 PCIFMNFFPUUFBV-JSIBOBQWSA-N 484.559 3.074 10 40 JGCB COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cc(C)ccc4C)C3)CC2)cc1 225923531 WZICFIJODDELLA-NRFANRHFSA-N 471.623 3.062 10 40 JGCB Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC(C)C)cc3)C(=O)NC2=S)cc1C 409186709 GUUMXRJJQPXDBF-UDWIEESQSA-N 452.532 3.465 10 40 JGCB O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1)Nc1ccccc1F 409377654 JSRCHTBSATWPHO-UYRXBGFRSA-N 475.432 3.215 10 40 JGCB COc1ccc(CN(Cc2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)cc1 934240 UKMHXNMVDSKASK-UHFFFAOYSA-N 492.605 3.436 10 40 JGCB O=C(O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 409052717 AAONXZGJZGYLSX-VGOFMYFVSA-N 479.670 3.232 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3F)C(=O)NC2=S)c(OC)c1 409067507 RAUFMRVGUNLQAG-GZTJUZNOSA-N 455.511 3.274 10 40 JGCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3ccc(Br)cc3)C1=O)OCO2 409104306 CPMPQGZQLTVBQS-AUWJEWJLSA-N 475.320 3.408 10 40 JGCB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409211615 NFAMFHRZSLMNQU-OVCLIPMQSA-N 461.477 3.467 10 40 JGCB COc1ccc(N2CCN(C(=O)c3ccc(CNS(=O)(=O)c4cccc(OC)c4)cc3)CC2)cc1 630852 KGDRHPOODDYWJC-UHFFFAOYSA-N 495.601 3.145 10 40 JGCB COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccc(OC)c(OC)c4)o3)CC2)cc1 9986914 DXJMVKZQFLEKCU-UHFFFAOYSA-N 470.551 3.203 10 40 JGCB CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(NS(=O)(=O)c2nccs2)cc1 104090495 DYUCYIHLTBLINY-GSWFEHRJSA-N 498.546 3.362 10 40 JGCB COc1ccccc1NC(=O)[C@@H](/N=N/c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)C(C)=O 104124243 MAIDSLDCLFVCHE-PBJDEKFSSA-N 482.522 3.274 10 40 JGCB O=C(COc1ccccc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O)N1CCOCC1 408571223 AJHRQYWPFNGDDD-PGMHBOJBSA-N 468.600 3.368 10 40 JGCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc([N+](=O)[O-])c1O 2985004 DNHYNRUPKKVADX-QPEQYQDCSA-N 476.239 3.128 10 40 JGCB COc1cc(N2N=C(C)/C(=C/Nc3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)ccc1Cl 408527268 FPGCXDGMYBUVSI-RAXLEYEMSA-N 470.873 3.166 10 40 JGCB CCCN1C(=O)/C(=C2/C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S 2695915 LDKJQNROOCBHMV-VXPUYCOJSA-N 451.573 3.331 10 40 JGCB COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)CC2)cc1 9192579 HFQUUWQKDNMTGJ-UHFFFAOYSA-N 478.014 3.486 10 40 JGCB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C(=O)N=C2S1 41077716 SFYVGVHPGXLORA-GHZHVEGCSA-N 479.337 3.330 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(O)c3)c(=O)n2[C@@H]1c1cccc2ccccc12 409038584 ABSBTXCJIMRULB-MGSPXPDISA-N 486.549 3.363 10 40 JGCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)c3ccccc23)C1=O)N1CCOCC1 2393452 RCYZDUDMSCZJIP-RCCKNPSSSA-N 451.548 3.335 10 40 JGCB COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OC)c(OC)c3)C(=O)NC2=S)cc1 6645193 UCCUUARGGLSPEC-ZSOIEALJSA-N 477.336 3.306 10 40 JGCB CCCCCCN1C(=O)/C(=C/c2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S 8857985 UEPABAFUMHKTFX-SDXDJHTJSA-N 490.651 3.205 10 40 JGCB COCCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3ccccn3c2=O)SC1=S 9463580 SEVFLIVEDHDRCB-VKAVYKQESA-N 476.624 3.159 10 40 JGCB O=C(O)COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 107607236 IIAOWBHTLZCFSD-SDQBBNPISA-N 496.111 3.136 10 40 JGCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(I)c3)C2=O)c1C 9263176 ZMLFPUMEXXYUEF-JYRVWZFOSA-N 462.243 3.280 10 40 JGCB N=C1/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 9303820 WLNFMVRIAAUCLL-NTCRLEKGSA-N 481.559 3.299 10 40 JGCB COc1ccc(N2CCN(C(=O)c3cc(=O)c(OCc4ccc(F)cc4)cn3C)CC2)cc1 12069870 HITGNRSKTYLNSY-UHFFFAOYSA-N 451.498 3.074 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC#N 107797883 KDWAZERRXMAHSY-LCYFTJDESA-N 462.687 3.475 10 40 JGCB COCCN1C(=O)/C(=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 9158186 YEISINIGMJJEJC-VBKFSLOCSA-N 457.508 3.474 10 40 JGCB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 9882506 BDOQIMVRVHQGOW-XMMPIXPASA-N 484.508 3.398 10 40 JGCB CCCCn1c(N)c(N(CCC)C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)c(=O)[nH]c1=O 14094566 FSJATEDJGHQXED-BUHFOSPRSA-N 464.570 3.178 10 40 JGCB CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)cc1 20205904 FOECCIOKDSROIK-JMCWYTMQSA-N 455.565 3.278 10 40 JGCB CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccco4)cc3)C(=O)N=C2S1 41085265 XHJQMCVZDCXPEX-QNPDVEALSA-N 486.531 3.146 10 40 JGCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 408782961 LLSWTYAJBZCWQE-PGMHBOJBSA-N 494.544 3.422 10 40 JGCB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OS(=O)(=O)c1ccc(OC)cc1 408924833 OTAVHDVQLQOMSZ-BOPFTXTBSA-N 451.547 3.350 10 40 JGCB COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)CC2)cc1 3378258 PIWZHNYGGBWDPC-UHFFFAOYSA-N 463.987 3.096 10 40 JGCB O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1CCc1ccccc1 4199241 XEEDXIZDTUTCLW-VJBWXMMDSA-N 451.478 3.420 10 40 JGCB COc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1Cl 13649802 SZXYRXDFNCWUBX-UHFFFAOYSA-N 466.003 3.421 10 40 JGCB COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(I)c1O 409129439 GQKMAKQAZTZBLT-ZROIWOOFSA-N 480.283 3.406 10 40 JGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)OC(C)C)cc3)C2=O)cc1 409187947 VXMUYJKGAAHBTJ-DEDYPNTBSA-N 452.463 3.082 10 40 JGCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 9155984 ZARXLVSSOMZNDH-MHZLTWQESA-N 487.512 3.278 10 40 JGCB COc1ccc(CCN2C(=O)NC(=O)/C(=C\Nc3cccc(C(F)(F)F)c3)C2=O)cc1OC 13512944 NBGOFPAIJKXCNZ-FOWTUZBSSA-N 463.412 3.340 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccco1 408538059 YTFKOUNVODBLSA-SDNWHVSQSA-N 450.378 3.313 10 40 JGCB O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1)N1CCOCC1 408574816 MVVFTOCBATWWGG-UYRXBGFRSA-N 458.536 3.469 10 40 JGCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 408892806 JQLRTCPFLOISPK-LNYFCXHSSA-N 450.285 3.029 10 40 JGCB O=C(O)c1cccc(N2C(=O)/C(=C\c3cccc(OCC(=O)N4CCOCC4)c3)SC2=S)c1 409097936 OXKFZPNEWSGFKP-XDHOZWIPSA-N 484.555 3.028 10 40 JGCB Cc1cccc(NC(=O)COc2c(Cl)cc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)c1 409256687 OQHZMUDHLMSLHN-UHFFFAOYSA-N 464.330 3.234 10 40 JGCB Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)c1 409269215 HDYCFESLRKYLDV-UHFFFAOYSA-N 462.289 3.377 10 40 JGCB CCN(CC)CCOC(=O)c1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1 1822253 IZWUYZUGNHLWIF-HKWRFOASSA-N 484.553 3.068 10 40 JGCB Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 8590101 SVHWEIZICNJXAL-HXUWFJFHSA-N 450.988 3.309 10 40 JGCB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 8707990 YXBSUDFBEUJTPC-UHFFFAOYSA-N 482.562 3.457 10 40 JGCB COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)c2C)c1 223599200 QSMYFVMDEKDVOA-FGZHOGPDSA-N 450.564 3.241 10 40 JGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1C 9934945 YOIAKYAISRRMLQ-QNGOZBTKSA-N 454.552 3.043 10 40 JGCB COc1ccc(N2CCN(C(=O)CSc3nnc(CN4CCCC4)n3-c3ccccc3)CC2)cc1 15566000 AYHRXTJKFORWIB-UHFFFAOYSA-N 492.649 3.313 10 40 JGCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)N=C2S1 41084119 CHQLGIUGBNGVHP-SABKFZPKSA-N 454.533 3.277 10 40 JGCB Cc1c(N/C=C2/C(=O)N=C(S)N(c3ccccc3Cl)C2=O)c(=O)n(-c2ccccc2)n1C 102693504 AYYLRLAUPJVHLB-QINSGFPZSA-N 467.938 3.293 10 40 JGCB Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O 408757729 PQHANXNKNNETNZ-KGENOOAVSA-N 459.462 3.102 10 40 JGCB CC1=NN(c2ccc(C(N)=O)cc2)C(=O)/C1=C/c1ccc(-c2ccc(S(=O)(=O)O)cc2)o1 12412760 WURAXYSEYVFXBD-XDHOZWIPSA-N 451.460 3.098 10 40 JGCB O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 169617022 QFJDYCCCXWBNMV-NJDAHSKKSA-N 468.421 3.290 10 40 JGCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OC(C)C 408967374 VHJMONRIEIRKSD-UHFFFAOYSA-N 488.347 3.076 10 40 JGCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409042588 NQERIGUTJBVHFR-UHFFFAOYSA-N 452.275 3.395 10 40 JGCB CCn1c(=O)/c(=C2/Sc3ccc(Cl)cc3N2C)s/c1=C1/C(=O)N(c2ccccc2)N=C1C 28615422 QHIXFMWCWYSNPO-YLRGQORSSA-N 483.018 3.464 10 40 JGCB COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(I)c1OC(C)=O 58856490 FGUWZEBOIQRMLC-UHFFFAOYSA-N 486.258 3.369 10 40 JGCB CN1C(=O)C(=Cc2ccc(OCc3ccc(I)cc3)cc2)C(=O)N(C)C1=O 409002629 VUQOUWHYTTXHDP-UHFFFAOYSA-N 476.270 3.304 10 40 JGCB Cc1cc(-n2c(C)cc(/C=C/C(=O)N3C[C@H](C(=O)N4CCOCC4)Oc4ccccc43)c2C)no1 14200056 RTHAJDGQKQRHRP-UPWIVDSGSA-N 476.533 3.057 10 40 JGCB COc1cccc(Oc2c(C(F)(F)F)oc3c(CN4CCN(CCO)CC4)c(O)ccc3c2=O)c1 20439895 CZIWJABTHVSPJR-UHFFFAOYSA-N 494.466 3.428 10 40 JGCB biogenic Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N3CCCC3)C2=O)c1 408532783 RAHOQEAYNXJCNQ-NTCAYCPXSA-N 460.494 3.064 10 40 JGCB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)cc1 10113399 SBUFTDBXASGIRE-UHFFFAOYSA-N 495.601 3.287 10 40 JGCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 10232825 DNFQJBLELQWDQU-GRRFOWRYSA-N 462.461 3.374 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OC(C)C 408801079 SMNSNATXHSZDNS-LDADJPATSA-N 452.463 3.326 10 40 JGCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C(=O)N=C2S1 41084126 YYTOVHFAQGGJTG-RMXFNUKNSA-N 472.523 3.416 10 40 JGCB COC(=O)[C@@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 100421839 GNHJRZZAACCNPM-UKWMHNODSA-N 487.531 3.410 10 40 JGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)O)C2=O)cc1C 408848940 SWGTZQKQSPOOEL-CXUHLZMHSA-N 473.279 3.196 10 40 JGCB O=C1NC(=O)C(=Cc2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)C(=O)N1 409185546 MHYFYLABBOTWSU-UHFFFAOYSA-N 499.932 3.074 10 40 JGCB CCOC(=O)C1=C(C)Nc2nc(SCC(=O)OC)nn2[C@H]1c1ccc(N(CC)CC)cc1 14163495 ZNLSTHIVMMFOAH-IBGZPJMESA-N 459.572 3.241 10 40 JGCB COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)Nc4cccc(C)c4)co3)CC2)cc1 56949804 IXSVNSBWBIFDRR-UHFFFAOYSA-N 463.534 3.297 10 40 JGCB COC(=O)C[C@H](c1cccc(O)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96115307 QWCKGUMLCHCHGL-CQSZACIVSA-N 480.425 3.389 10 40 JGCB biogenic CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 10906571 YAJJKRNGOQKUPM-UHFFFAOYSA-N 459.502 3.185 10 40 JGCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2ccccc2O[C@H](C)C(=O)O)C1=O 409190039 VCURWNMJEVPPQT-JXCQQFQQSA-N 473.279 3.276 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2905632 WZFPHEBFNGGVRX-SEJMYLSOSA-N 458.854 3.257 10 40 JGCB CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 223822521 QBNVYFMVOACVEL-KRWDZBQOSA-N 463.600 3.021 10 40 JGCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C 408531805 LSILIEQPWYRPBG-CYVLTUHYSA-N 474.565 3.049 10 40 JGCB CN1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)C(=O)NC1=S 408911737 OIVLPOVZQOQJLF-MHWRWJLKSA-N 478.311 3.127 10 40 JGCB O=C(O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Br 2261364 GHNYOVLNKHOFER-NTUHNPAUSA-N 495.738 3.397 10 40 JGCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4cc(Cl)ccc4OC)C(=O)[C@@H]3[C@H](C(C)=O)N21 8991491 BTGSXHANEPLYNO-GFRNBQLOSA-N 452.894 3.336 10 40 JGCB COCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 9411884 VBCSQZXFUHKFEY-GWZPGNJDSA-N 472.636 3.333 10 40 JGCB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408654225 AVGVTKMEYJSZAS-ZVDOUQERSA-N 496.947 3.393 10 40 JGCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1 409067483 DGPVFIWKWRMYAF-LDADJPATSA-N 498.900 3.480 10 40 JGCB COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)N1CCOCC1 409202193 PWFJFSJWEIZKIN-XSFVSMFZSA-N 476.620 3.467 10 40 JGCB COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OC 9310469 JUHLXUVDQNHOPP-XMHGGMMESA-N 473.485 3.183 10 40 JGCB C[C@H]1[C@@H](N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)C(=O)N(c2ccccc2)N1C 11582578 ZMNOZDDFSPGCQV-GNPFFWQGSA-N 454.533 3.447 10 40 JGCB COc1ccc(N2CCN(S(=O)(=O)c3cc(Br)c(C)cc3OC)CC2)cc1 48044503 YOOAAPYMAMWNHH-UHFFFAOYSA-N 455.374 3.286 10 40 JGCB Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C)c1 408655443 CYBVCQCGRJFZTK-XPNTWCBSSA-N 460.530 3.348 10 40 JGCB CC1=NN(c2ccc(C(=O)OC(C)C)cc2)C(=O)/C1=C\c1cccn1-c1ccc(S(N)(=O)=O)cc1 8438767 HTTLFCIXRYLGOB-HAHDFKILSA-N 492.557 3.496 10 40 JGCB CCN(CC)c1ccc(CN(C(=O)c2cc3ccccc3oc2=O)[C@@H]2CCS(=O)(=O)C2)cc1 9280916 CBNKLVNDUKDSAD-OAQYLSRUSA-N 468.575 3.469 10 40 JGCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1 409072091 AYRRMJSJXUBBBW-CPNJWEJPSA-N 498.900 3.480 10 40 JGCB CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(N)=O 409215777 FEHIMTDPLOCHTM-LICLKQGHSA-N 459.505 3.263 10 40 JGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(N)=O)c(Cl)c3)C2=O)cc1C 409222294 CGDQCSUJAWACMO-MKMNVTDBSA-N 462.289 3.141 10 40 JGCB COc1ccc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 409388868 FSEPIBFORBFDGV-AWEZNQCLSA-N 472.394 3.018 10 40 JGCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)N4CCC[C@@H]4CO)c4ccccc34)[C@H]21 1565524566 LCIZWHPOVUXFNZ-DWXRJYCRSA-N 458.562 3.162 10 40 JGCB CCn1c(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)nnc1N1CCOCC1 9206719 XXDHMTKYJLYVSN-UHFFFAOYSA-N 483.594 3.288 10 40 JGCB COc1ccc(N2CCN([C@H](c3cc4ccc(C)cc4[nH]c3=O)c3nnnn3C(C)(C)C)CC2)cc1 19221855 XFSLFFJLMFGFRX-XMMPIXPASA-N 487.608 3.498 10 40 JGCB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C\NCCC1CCN(Cc2ccccc2)CC1 20623029 HPVCXTXHVPITLV-CLCOLTQESA-N 460.578 3.083 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 6154233 OSUOPXGQCONECB-VOSMRYOYSA-N 465.550 3.003 10 40 JGCB C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)C[C@@H](C)O1 8858033 NGBRNIWBBPBCIW-SMZSATKYSA-N 482.587 3.303 10 40 JGCB COC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 100421386 JBGYSLNZBCIAIR-TVQWTUMOSA-N 469.541 3.271 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(Br)c3)C(=O)NC2=S)c(OC)c1 409108454 VYMCKYFKGYUGFX-MDWZMJQESA-N 477.336 3.306 10 40 JGCB COc1cc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(O)cc3)C2=O)cc(OC)c1OC 1767098 DBOFRGFJLJOQHT-LICLKQGHSA-N 460.533 3.258 10 40 JGCB Cc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 20206156 RQOFIROYABAMEF-IAYHVCARSA-N 461.956 3.369 10 40 JGCB COc1ccc(N2CCN(C(=O)Cn3ncn4nc(-c5cccc6ccccc56)cc4c3=O)CC2)cc1 67208599 YVSNQQJVKZSMDE-UHFFFAOYSA-N 494.555 3.069 10 40 JGCB O=C(O)COc1ccc(Br)cc1/C=C1\SC(NC(=O)c2ccccc2)=NC1=O 409140846 GFJNWPAHKFBFDX-DHDCSXOGSA-N 461.293 3.313 10 40 JGCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccccc2O[C@@H](C)C(=O)O)C(=O)NC1=S 409192373 BPRMDZIEJZWBRU-XBUHWIKASA-N 489.347 3.441 10 40 JGCB Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)NC(=S)NC2=O)cc1Cl 409268617 WQGMKZXVXJNROQ-UHFFFAOYSA-N 464.330 3.234 10 40 JGCB Cc1cc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c(C)n1-c1ccc(Cl)cc1 9464218 XWXBINFPXVFGMU-UHFFFAOYSA-N 460.321 3.031 10 40 JGCB Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c(C)c1 22735262 QWDXWJBNVZVJMD-RUZDIDTESA-N 477.653 3.038 10 40 JGCB COc1ccc(N2CCN(C(=O)C3CCN(c4nc5ccccc5nc4OC)CC3)CC2)cc1 33088276 GEHJSJJTSPQUEY-UHFFFAOYSA-N 461.566 3.212 10 40 JGCB COc1cccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1OCC(=O)Nc1ccc(C)cc1 408694594 KHOWKLYGZUYHFA-XSFVSMFZSA-N 477.517 3.426 10 40 JGCB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@@H]1c1ccc(N(C)C)cc1 408731380 LZYQZDOGYRRSDU-FVIVVMBBSA-N 490.629 3.039 10 40 JGCB CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC 408849869 AANYXJFUHOUFFO-OVCLIPMQSA-N 476.844 3.096 10 40 JGCB COCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccccn3c2=O)SC1=S 9374847 OUGQPSJGAFKNAQ-COGMNKOPSA-N 472.636 3.415 10 40 JGCB COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(O)cc3)C2=O)cc(OC)c1OC 13523566 DBOFRGFJLJOQHT-YVLHZVERSA-N 460.533 3.258 10 40 JGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cccc4c3C(=O)[C@@H]3C=CC=C[C@@H]3C4=O)C2=O)cc1 101125380 AZMOJJDYAQZQGS-WCAHNUQUSA-N 453.454 3.311 10 40 JGCB COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccc(C)cc1 108120006 GXZNSBQEZWNZAV-RCCKNPSSSA-N 457.486 3.483 10 40 JGCB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@H]1c1ccc(N(C)C)cc1 408731377 LZYQZDOGYRRSDU-FOOJEKODSA-N 490.629 3.039 10 40 JGCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C(=O)O)ccc3OCC)C2=O)cc1OC 409215410 YGCGEYRFYIPCOR-SFQUDFHCSA-N 468.462 3.247 10 40 JGCB COCCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S 9461093 CVRGFCXIJMSVAM-JXAWBTAJSA-N 490.651 3.468 10 40 JGCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4F)cc3)C(=O)N=C2S1 41084123 VKDRHVGEBFCWFJ-FWPSJRISSA-N 472.523 3.416 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3Br)C(=O)NC2=S)cc1 660859 ORBDNJYLOFHXFI-RIYZIHGNSA-N 477.336 3.306 10 40 JGCB Cc1cc(C(=O)COC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c(C)n1-c1ccc2c(c1)OCO2 3365608 YRJXVQBSBLQWNS-HXOBKFHXSA-N 456.520 3.003 10 40 JGCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)O 16915788 BEVDSHSSFOVLFQ-GZTJUZNOSA-N 458.517 3.095 10 40 JGCB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccccc4Cl)cc3)C(=O)N=C2S1 41077842 ADLXDFSYRXDRNO-VUBPNFDHSA-N 488.934 3.180 10 40 JGCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 100507665 CMLDSMMWPTUKPS-RCCKNPSSSA-N 454.552 3.043 10 40 JGCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O 409107186 QTRCIPZOCWDQBV-SFQUDFHCSA-N 451.548 3.444 10 40 JGCB CC(C)N1C(=O)/C(=C2/C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S 2701108 IXRCMAIGNNYBPK-VXPUYCOJSA-N 451.573 3.329 10 40 JGCB Cc1cc(N2CCN(C(=O)Cc3c(C)c4ccc(O)c(O)c4oc3=O)CC2)nc2ccccc12 9547700 SNYNDIXMOSOKRG-UHFFFAOYSA-N 459.502 3.261 10 40 JGCB Cc1ccc2nc(Sc3ccccc3)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(=O)n2c1 16736349 OAKGOAPVJJTFGQ-DHDCSXOGSA-N 469.569 3.440 10 40 JGCB Cc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1ccccc1Cl 20206360 DEVHNQUPTUDCNF-XCGHDDSDSA-N 461.956 3.369 10 40 JGCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cccc(OC)c1OC 20287748 TTZOHIWXUSPDOF-MOSHPQCFSA-N 454.439 3.264 10 40 JGCB CCOc1ccc(N2C(=O)/C(=C\NC3CCN(Cc4ccccc4)CC3)C(=O)N=C2S)cc1 102524529 KGDTWFPJUMTAGW-JWGURIENSA-N 464.591 3.382 10 40 JGCB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)OC32C(=O)c3ccccc3C2=O)c(OC)c1 102675387 BNLUUXSORDROHV-DNVJHFABSA-N 483.476 3.399 10 40 JGCB COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)CC2)cc1 409227799 RCLFIIZNKRIRTL-SFHVURJKSA-N 478.014 3.098 10 40 JGCB COc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1 10113321 ZZOAJAGFBIEVLM-UHFFFAOYSA-N 495.601 3.044 10 40 JGCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(-c4nc(C(C)C)no4)c3)CC2)cc1 21792658 DQTLZMVJZMWLEO-UHFFFAOYSA-N 472.567 3.388 10 40 JGCB O=C1C[C@H](c2ccc3c(c2)OCO3)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 96221358 XZWQMHOPHFEGIM-GFCCVEGCSA-N 476.393 3.452 10 40 JGCB biogenic CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\NC(=S)Nc2ccccc2)C1=O 408526387 BFILPUSBFIMGNY-RVDMUPIBSA-N 473.352 3.465 10 40 JGCB CCOC(=O)COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OC 409216957 MQCFUTDAHRJKCW-PDGQHHTCSA-N 472.544 3.183 10 40 JGCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1C 409390303 DXFMRZCVSUMHHW-WOJGMQOQSA-N 461.434 3.072 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)ccc1OCC(=O)O 2909498 RHRFEDBJTYEDJV-WOJGMQOQSA-N 452.463 3.339 10 40 JGCB COc1cccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)c2ccco2)c1O 9517150 HUTNJAAZUQTULG-SFHVURJKSA-N 455.492 3.357 10 40 JGCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C(=N)N21 20205829 GCXGMBUREAPAEB-ATKCCKKESA-N 458.496 3.026 10 40 JGCB COCCCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)C(C(=O)OC)=C1C 408782677 IOJWGYNTAIQYQH-JWGURIENSA-N 464.518 3.413 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)O 408858380 YQTFJZLBEADNKH-LZYBPNLTSA-N 472.881 3.485 10 40 JGCB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 6088985 XJMHJCOGOIPIKT-UHFFFAOYSA-N 478.464 3.105 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccccc1 8780954 ZGWKNQQXDCFJFI-FCKOQQNDSA-N 491.613 3.350 10 40 JGCB COC(=O)c1cc(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc(C(=O)OC)c1 112295446 RRTUOABKSYDBEI-UNOMPAQXSA-N 452.423 3.277 10 40 JGCB O=[N+]([O-])c1ccc(N=Nc2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)cc1 12359025 RQKNGEZEUZYGQS-UHFFFAOYSA-N 453.410 3.362 10 40 JGCB CCn1c(Sc2ccc([N+](=O)[O-])cc2C=C2C(=O)NC(=O)NC2=O)nnc1-c1cccc(Cl)c1 409189522 HICNXMLTZOJEKI-UHFFFAOYSA-N 498.908 3.427 10 40 JGCB CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1)c1ccccc1 10113375 VOWWKLPEJGZEER-UHFFFAOYSA-N 479.602 3.419 10 40 JGCB CCNc1nc(NCC)n2c(SCC(=O)Nc3nc(-c4ccccc4)cs3)nnc2n1 10165944 DCIXLBKJCAEMRR-UHFFFAOYSA-N 455.573 3.237 10 40 JGCB COc1ccc(N2CCN(C(=O)CN[C@@H](c3ccc4c(c3)OCCCO4)C(C)C)CC2)cc1 12556009 IKGWENYRDCXKOS-AREMUKBSSA-N 453.583 3.492 10 40 JGCB CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3Cl)N3CCCCC3)ccc21 13008095 RIVULWZRQOSSMU-HSZRJFAPSA-N 455.002 3.292 10 40 JGCB COc1ccc(N2CCN(C[C@@H](O)COCCOc3ccc(Br)cc3)CC2)cc1 84457720 NJMDKZBARPNHDH-HXUWFJFHSA-N 465.388 3.036 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1O 408892492 ZXAJZPSXYAGWGT-LFYBBSHMSA-N 498.660 3.325 10 40 JGCB CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCCCCC(=O)O)C2=O)cc1OC 8870147 HASOREJKTOPEMV-NBVRZTHBSA-N 480.608 3.446 10 40 JGCB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 26840884 YAYYHHFUEJOBKX-XNTDXEJSSA-N 453.501 3.081 10 40 JGCB CCC(=O)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(I)cc2)C1=O 108256825 ISAISKNFBBVUOZ-PTNGSMBKSA-N 490.253 3.273 10 40 JGCB COc1ccccc1N1C(=O)/C(=C/c2cc(Br)c(O)c(OC)c2)C(=O)NC1=S 409166498 GLFYDAQMQDJNCL-YRNVUSSQSA-N 463.309 3.003 10 40 JGCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1F 409188295 FTXYADCBRBRFID-LDADJPATSA-N 453.495 3.346 10 40 JGCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC 409192348 BDXXKNHTSSOMLH-HNEYUBDGSA-N 454.504 3.402 10 40 JGCB CCOC(=O)N1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 1801834 PHOKUZKXMOMPAA-SQFISAMPSA-N 453.611 3.030 10 40 JGCB Cc1cc(C(=O)[C@H](C)OC(=O)CCn2cnc3c(cnn3C)c2=O)c(C)n1-c1ccc(Cl)cc1 9116684 BWTNLBSOJPRSFR-INIZCTEOSA-N 481.940 3.396 10 40 JGCB COc1cccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c1OCc1ccc([N+](=O)[O-])cc1 9310494 XJOAFWQERDOPJA-CXUHLZMHSA-N 460.489 3.468 10 40 JGCB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1Cl 408666606 RFVKLFDWUYSKEH-WFXMLNOXSA-N 466.921 3.384 10 40 JGCB Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3\SC(=S)N(C)C3=O)c(=O)n2c1 27021501 NCHSQQACYSYAPK-UYRXBGFRSA-N 495.605 3.300 10 40 JGCB Cc1c(Cl)cccc1N(CCCC(=O)NCc1ccc(N2CCOCC2)cc1)S(C)(=O)=O 113964988 TXKWXRDGLFYVFV-UHFFFAOYSA-N 480.030 3.348 10 40 JGCB CCC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2OC)C1=O 408537783 XEZHNNXZIAHDSE-KAMYIIQDSA-N 473.279 3.440 10 40 JGCB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(S(=O)(=O)NC4CCCCC4)c3)CC2)cc1 408675017 FWQFFFUJWRWTJD-UHFFFAOYSA-N 487.622 3.277 10 40 JGCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)cc1 1221208 DDZXGHMLQMIUTD-FVIVVMBBSA-N 491.613 3.263 10 40 JGCB COc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCN4S(=O)(=O)c3ccccc3)CC2)cc1 8613956 AOCAUJGDGSDZMD-UHFFFAOYSA-N 477.586 3.409 10 40 JGCB O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 8870062 JONANUQZBVFRKY-LTUPMRBCSA-N 465.556 3.181 10 40 JGCB COc1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 14269043 QGFNKNZQQHEZGN-RUDMXATFSA-N 460.943 3.493 10 40 JGCB CCCCCNC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 38487569 MGLKLUAUPSLEMQ-UHFFFAOYSA-N 451.614 3.188 10 40 JGCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC)c(OC)c3)C(O)=NC2=S)cc1 9933314 UCJQNOVEEMPMLI-GZTJUZNOSA-N 470.503 3.317 10 40 JGCB Cc1cc([C@H]2Nc3ccccc3C(=O)N2C)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 15249605 BQPYHIHYBMCIDK-DEOSSOPVSA-N 480.590 3.311 10 40 JGCB CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 20214032 DNOOSMPQSPCIRZ-HSZRJFAPSA-N 484.984 3.342 10 40 JGCB C/C(NCCc1ccc(S(N)(=O)=O)cc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 20287987 PGKYXELSDONQAD-QJOMJCCJSA-N 478.549 3.330 10 40 JGCB CCN(CC)c1cc2[nH]c(O)nc2cc1N/C=C1/C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 408531671 LDCTWYRIKCDHHA-QINSGFPZSA-N 462.510 3.310 10 40 JGCB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O 408755176 MTLPTVKQEAHXEY-NTUHNPAUSA-N 490.266 3.349 10 40 JGCB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 604404717 JLIINEHSWIEWQP-MSOLQXFVSA-N 477.520 3.021 10 40 JGCB biogenic O=C([C@H]1CN(C(=O)/C=C/c2cn(Cc3ccccc3)nn2)c2ccccc2O1)N1CCCCC1 9864753 YYQRDKQMOUSPCG-XIQMRYHBSA-N 457.534 3.146 10 40 JGCB COc1ccc(N2CCN([C@H](c3cccc(OC)c3OC)c3nnnn3C(C)(C)C)CC2)cc1 13504080 JLYOUIRBHJHHKA-JOCHJYFZSA-N 466.586 3.366 10 40 JGCB CC1=C2[C@@H](CCS2(=O)=O)[C@]2([S@@](=O)Cc3ccccc3)C(=O)c3ccccc3C(=O)[C@@H]2C1 195791254 VNNLTWNZHDGZPB-JQZNFWOZSA-N 454.569 3.482 10 40 JGCB Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)C2=O)cc1 409229213 LIGITPSACBFIBD-LPYMAVHISA-N 464.547 3.143 10 40 JGCB COc1cc([C@@H]2C[C@]3(CC(C)(C)NC(=S)N3)Oc3c2ccc(O)c3O)cc(OC)c1OC 888807 JFFYDFDSIXHFPC-LFVRLGFBSA-N 460.552 3.381 10 40 JGCB C[C@H]1[C@H](N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)C(=O)N(c2ccccc2)N1C 1909847 ZMNOZDDFSPGCQV-NRXXELKWSA-N 454.533 3.447 10 40 JGCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(NCCO)nc12 2678605 JXJMLGXKXONFJJ-VUODPORTSA-N 466.588 3.370 10 40 JGCB CN(C)c1ccc(CN2CCC[C@H]2c2nc(-c3ccnc(N4CCC(C(N)=O)CC4)c3)no2)cc1 35424673 WFEJVPBNJZYBGE-QFIPXVFZSA-N 475.597 3.236 10 40 JGCB biogenic,in-vitro COC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 100421842 GNHJRZZAACCNPM-TVQWTUMOSA-N 487.531 3.410 10 40 JGCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)N4CCC[C@@H]4CO)c4ccccc34)[C@@H]21 1565524568 LCIZWHPOVUXFNZ-WXTAPIANSA-N 458.562 3.162 10 40 JGCB COCCCNC(=O)Cn1cc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)c2ccccc21 8663737 VSDVYDUKJVIAAR-QGOAFFKASA-N 478.480 3.440 10 40 JGCB Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)ccc12 9402864 ZTQPKKFTRIFJKD-UHFFFAOYSA-N 497.459 3.438 10 40 JGCB CCOc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)O)cc3)C(=O)NC2=S)c1 9908249 GBCGNCPEPUBNOR-XSFVSMFZSA-N 461.499 3.406 10 40 JGCB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)[C@@](Cc1c[nH]c3ccccc13)(C(=O)O)N[C@H]2c1ccccc1O 13571672 WQBAYKGKHMVHQK-IMBSWCNGSA-N 481.508 3.390 10 40 JGCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 654494 ZEENKZSWJPPPKD-IBNIFWCESA-N 490.556 3.233 10 40 JGCB O=C(COC(=O)[C@@H]1CCCN1C(=O)c1cccs1)Nc1cccc2c1C(=O)c1ccccc1C2=O 9138815 YPPBCTVUOUMUSJ-IBGZPJMESA-N 488.521 3.310 10 40 JGCB COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c1O 9259620 WZKOPJLNIFERRZ-QPEQYQDCSA-N 476.239 3.046 10 40 JGCB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)cc1OC 9469416 YJVAUSCNKVBVPO-UHFFFAOYSA-N 483.590 3.258 10 40 JGCB CN(C)c1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(C(=O)c3ccco3)CC2)cc1 13505477 LMJCXIAUCQOPGX-RUZDIDTESA-N 485.592 3.122 10 40 JGCB O=C(c1cccs1)N1CCN(Cc2c(O)c(C(=O)N3CCOCC3)cc3ccccc23)CC1 23956324 JULIEXUJKOQJNG-UHFFFAOYSA-N 465.575 3.037 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1ccco1 408537311 VEJHGXPQNNYEGI-JMVPPYHWSA-N 450.447 3.158 10 40 JGCB COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1O 408946738 ZESLSANXOFZAOS-RIYZIHGNSA-N 462.243 3.447 10 40 JGCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O)Nc1ccc(F)cc1 409123322 GEUALBAKUZEKCS-UNOMPAQXSA-N 459.474 3.476 10 40 JGCB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 8883352 CQYATSDUFDRMDD-UHFFFAOYSA-N 490.899 3.369 10 40 JGCB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 12591266 FXPGSSVLGARWDE-UHFFFAOYSA-N 463.277 3.453 10 40 JGCB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2C(C)(C)CO[C@H]3c2ccc(O)c(O)c2)cc1 13572531 FDSOJRUZIBIRLY-QHCPKHFHSA-N 461.518 3.280 10 40 JGCB CC1(C)C[C@@H](O)C[C@](C)(CN/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)C1 19832590 SRTNTYUGBUHPJO-ASPMODFSSA-N 464.360 3.083 10 40 JGCB CC(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 54360651 QWJWNRYWUGXSAX-KMTKGMGQSA-N 466.650 3.047 10 40 JGCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 95471591 GTQIMHKZGYMNNZ-JCMHNJIXSA-N 454.552 3.043 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc(Br)c1O 409196280 VEXHBOIOSRXZEM-NTUHNPAUSA-N 491.319 3.083 10 40 JGCB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 409229083 JMUYZOKFILTEAI-NDENLUEZSA-N 471.510 3.346 10 40 JGCB COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 9138043 GRZRXOOWCPHIDP-DEOSSOPVSA-N 480.609 3.368 10 40 JGCB CCOC(=O)Cn1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21 12363688 IHGFMUMGPINTLT-UNOMPAQXSA-N 463.515 3.044 10 40 JGCB COCCN1C(=O)/C(=C/c2c(N(C)C3CCCCC3)nc3ccccn3c2=O)SC1=S 16699772 WJHQJMREBWCGTF-VKAVYKQESA-N 458.609 3.311 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCC(=O)Nc1ccccc1 408694835 NAHFUDNDCGBDCL-CPNJWEJPSA-N 463.490 3.117 10 40 JGCB COc1ccc(-c2c(C(F)(F)F)oc3c(CN4CCN(CCO)CC4)c(O)ccc3c2=O)cc1 1263513 ZHCDOIRDLRHYLV-UHFFFAOYSA-N 478.467 3.303 10 40 JGCB biogenic CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(I)c3)C2=O)cc1 1407317 QNVCBDTWYPAENZ-XNTDXEJSSA-N 492.269 3.365 10 40 JGCB Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccccc1F 103596437 KMPKKINBHCFTBA-HACRSSKKSA-N 494.552 3.101 10 40 JGCB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1C 9159039 PFROIIXQKQGTKM-UHFFFAOYSA-N 474.469 3.379 10 40 JGCB COc1ccc(N2CCN(C(=O)CCn3nc(-c4ccc(Br)cc4)ccc3=O)CC2)cc1 72328340 APMFTSDQFYIYFP-UHFFFAOYSA-N 497.393 3.420 10 40 JGCB Cc1c(CC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@@H]32)c(=O)oc2c(O)c(O)ccc12 105384350 RIUHVCNJKHMQAL-HVDAFXPBSA-N 464.562 3.477 10 40 JGCB biogenic CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cccc1OC 409195179 SAMQJLYZPTZFGO-LVLBFHFTSA-N 454.504 3.402 10 40 JGCB O=C(CN1C(=O)/C(=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21)NCc1ccccc1 2695991 YXEFJKKVEHSUTN-KTVWJZFRSA-N 493.610 3.100 10 40 JGCB COC(=O)c1c(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)sc2c1CCCC2 59109582 JJMCXTNSSOGEPO-UHFFFAOYSA-N 471.604 3.420 10 40 JGCB CCOc1cccc([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]32)c1O 103001382 XJQBNYCQHNKFHD-LMMUWCHVSA-N 482.533 3.119 10 40 JGCB COC(=O)C1=C(C)N(C)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408910587 XFGZPTMEDISUMA-RQZCQDPDSA-N 492.315 3.144 10 40 JGCB CN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)NC1=S 408912765 RXHHVYUBWCVBGE-RIYZIHGNSA-N 476.308 3.193 10 40 JGCB COc1ccccc1/C=C1\N=C(c2ccccc2)N(c2cc(S(=O)(=O)O)ccc2C(=O)O)C1=O 8892957 KNZXHFXJZPJFFB-UYRXBGFRSA-N 478.482 3.475 10 40 JGCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1 9260212 RWZKJGUWQNRGBY-UHFFFAOYSA-N 474.922 3.225 10 40 JGCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1cccc(C(=O)O)c1 9310335 DNYZIDJMCZIUSH-RQZCQDPDSA-N 459.501 3.258 10 40 JGCB COc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)cc(OC)c1OCCOc1ccccc1 9434822 MMRSBDSGYGCZJF-RCOXNWNUSA-N 452.492 3.411 10 40 JGCB CCOc1cccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)O)c3)C(=O)NC2=S)c1 9762569 PBUJGKIUFUWCAH-XSFVSMFZSA-N 461.499 3.406 10 40 JGCB Cc1cccc(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1[N+](=O)[O-] 96936835 JRBJRWKTXWICJW-YVLHZVERSA-N 471.516 3.263 10 40 JGCB CCN(CC)c1ccc(N/C=C2/C(=O)N=C(O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 102572101 OJHILKUYMXFAKZ-SILNSSARSA-N 466.538 3.371 10 40 JGCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)c(O)c(Br)c1 408851568 CYKXOWWFNGSHCA-XCVCLJGOSA-N 465.643 3.203 10 40 JGCB Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(Br)c2)C1=O 409072270 JMXJBALHXQMFGA-XDHOZWIPSA-N 486.391 3.425 10 40 JGCB C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Br)c2)C1=O)C(=O)O 409191268 FSZIYLRCBHKQRQ-ZRRZQRFHSA-N 475.320 3.132 10 40 JGCB CCN(CC)c1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 223237928 YZHMILYXSVSYBF-UHFFFAOYSA-N 459.597 3.424 10 40 JGCB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1 224597379 FNPJHFCJTVECRL-LJQANCHMSA-N 473.639 3.431 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1O 409234923 ATFUDCDIASVYIS-AWNIVKPZSA-N 452.410 3.260 10 40 JGCB COCCN(CCOC)Cc1c(O)ccc2c(-c3cc4cccc(OC)c4oc3=O)cc(=O)oc12 2131637 IABIHUHBOFOQPR-UHFFFAOYSA-N 481.501 3.375 10 40 JGCB biogenic CS(=O)(=O)C1=NN2C(=N)/C(=C\c3c(-c4ccc(Cl)cc4)nc4sccn34)C(=O)N=C2S1 9243536 DXJNZXHHVCOOLF-IVZSBRTFSA-N 490.979 3.337 10 40 JGCB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)c1ccccc1O 12922348 AGIKBIZRABUWNA-QWHCGFSZSA-N 473.414 3.494 10 40 JGCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 409189766 SMQIYLLLACZNPM-BOPFTXTBSA-N 463.427 3.384 10 40 JGCB COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 9138207 MNURWUGIYKHUNE-RUZDIDTESA-N 464.610 3.037 10 40 JGCB Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1 20205620 XVYDUJCOELLASM-JJEZRMFNSA-N 484.559 3.074 10 40 JGCB CCOC(=O)c1sc(NC=C2C(=O)OC3(CCCCC3)OC2=O)c(C(=O)OCC)c1C 35592646 SYEHEEBBTLUDHB-UHFFFAOYSA-N 451.497 3.466 10 40 JGCB COc1cc([C@@H]2C[C@@]3(CC(C)(C)NC(=S)N3)Oc3c2ccc(O)c3O)cc(OC)c1OC 888809 JFFYDFDSIXHFPC-PSLXWICFSA-N 460.552 3.381 10 40 JGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 9781994 OUTQIQQPGHOMPZ-DEDYPNTBSA-N 483.634 3.194 10 40 JGCB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 97653906 VUQIXBAHUFTKPA-HYARGMPZSA-N 468.465 3.121 10 40 JGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4[nH]c(O)nc4cc3Br)C2=O)cc1C 408537338 ZZNPSGQABSNIIR-XYOKQWHBSA-N 470.283 3.227 10 40 JGCB COCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O 27020840 DCGBPDFQLJVBTE-AQTBWJFISA-N 466.588 3.463 10 40 JGCB COCCCN1C(=O)/C(=C\c2ccc(OCC(=O)NC3CCCCC3)cc2)C(C(=O)OC)=C1C 408772806 RLVCHPFQTAFSOG-JWGURIENSA-N 470.566 3.223 10 40 JGCB Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)c2ccccc21 2281323 PNKUGOZNIUUMAE-YBEGLDIGSA-N 471.254 3.449 10 40 JGCB NC(=O)C1CCN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3ccncc3)S2)CC1 2703942 GBTKRBRMDAEHPO-XSFVSMFZSA-N 458.547 3.102 10 40 JGCB CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](C(=O)O)[C@H](C)CC)C2=O)cc1OC 8870160 VDRXCWZQXSNGHN-ZLGDJNIKSA-N 480.608 3.301 10 40 JGCB COc1cc(CC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc(OC)c1OC 9335198 KLAIWGCARDFAEI-UHFFFAOYSA-N 489.480 3.212 10 40 JGCB CCN(C(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2cc(Cl)ccc2OC)c1C)[C@H]1CCS(=O)(=O)C1 12517326 ZXWKIODDRDWUDA-AEFFLSMTSA-N 497.013 3.337 10 40 JGCB C#CCOc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC 33617543 JZBIKDSRGFYNFW-WJDWOHSUSA-N 488.281 3.163 10 40 JGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc(C(=O)O)c2)c([N+](=O)[O-])c1 33659113 MDTPLENKPINVCE-UNOMPAQXSA-N 459.414 3.333 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCC(=O)Nc1ccc(C)cc1 34718347 CONDZVIVADJPRU-BKUYFWCQSA-N 487.512 3.491 10 40 JGCB CCc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 408665748 QEIXDEANYPIWKI-ZLNRFVROSA-N 460.530 3.293 10 40 JGCB CN(C)c1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCN(C(=O)c3ccco3)CC2)cc1 13505478 LMJCXIAUCQOPGX-VWLOTQADSA-N 485.592 3.122 10 40 JGCB COc1cc(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c1O 408845868 LVLSUMTUUZVUAN-YRNVUSSQSA-N 451.273 3.134 10 40 JGCB COCCN1C(=O)/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C1=O 409014892 QPGHNWZWXOSSIM-PGMHBOJBSA-N 460.446 3.411 10 40 JGCB NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 1797026 ROPBYRYBLDSNFT-DFBITEFZSA-N 473.601 3.120 10 40 JGCB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ncc(-c4ccccc4)n3C)CC2)cc1C 12627740 KRMRJJCSJCGIKN-UHFFFAOYSA-N 484.647 3.329 10 40 JGCB NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4cc(Cl)cc(Cl)c4)C3=O)o2)cc1 16429450 KXSABOUGLKKBOC-YVLHZVERSA-N 478.313 3.362 10 40 JGCB Cc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1 20206019 QOAFUNZIVHHEPQ-FBIWUZAXSA-N 498.586 3.464 10 40 JGCB CCN1C(=O)/C(=C/c2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC1=S 27020585 BRTZVDAQAOPRJP-YVLHZVERSA-N 466.544 3.256 10 40 JGCB N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 101150463 SWCGLOZBXRHYHT-RSRMSENYSA-N 483.937 3.468 10 40 JGCB NC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c2ccccc21 107651807 IVKFQFZVRCWQSM-VGOFMYFVSA-N 457.273 3.100 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C/NC(=O)Nc3cc(C)c(C)cc3Br)C2=O)cc1 408536036 VIGRGQFYLHRYAJ-GDNBJRDFSA-N 487.310 3.363 10 40 JGCB CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC 408982594 ICYMZZJKPRIONY-SXGWCWSVSA-N 472.881 3.265 10 40 JGCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C 223148829 MNDWYHNRPNWLEF-DNQXCXABSA-N 476.650 3.497 10 40 JGCB CCOc1ccccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408670818 YFZGVSCVOLCXGX-ONTIZHBOSA-N 476.529 3.130 10 40 JGCB COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1[N+](=O)[O-] 408778623 IXUPPKVJVLVZJF-NTUHNPAUSA-N 460.240 3.341 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc([N+](=O)[O-])c1O 408853703 QVRTZVJLTZTFEX-VZUCSPMQSA-N 491.840 3.036 10 40 JGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(N)=O)cc4)c3C)C2=O)c1 408899378 OVNAUTOQPBRRIX-LPYMAVHISA-N 456.502 3.476 10 40 JGCB COCCN1C(=O)/C(=C/c2c(NCc3ccco3)nc3ccc(C)cn3c2=O)SC1=S 13427252 WXDXFPWLMMCWMM-YBEGLDIGSA-N 456.549 3.056 10 40 JGCB COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)Nc3cc(C)cc(C)c3)CC2)cc1 22698769 UDHNUKRFAJYNIV-UHFFFAOYSA-N 490.604 3.443 10 40 JGCB O=C(c1cc2ccccc2c(CN2CCN(CCOc3ccccc3)CC2)c1O)N1CCOCC1 22790462 XXKGPVDVNPVXAQ-UHFFFAOYSA-N 475.589 3.214 10 40 JGCB COc1ccc(N2CCN(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)CC2)cc1 25765235 RMBRCROVMPUCQG-UHFFFAOYSA-N 456.546 3.270 10 40 JGCB Cc1ccccc1COc1ccc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)cc1 41084513 VSYDYIBZFCGDCY-OEMPCWLZSA-N 461.547 3.483 10 40 JGCB CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(O)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 408739958 CASNUINUZMTIEJ-AWNIVKPZSA-N 492.307 3.293 10 40 JGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC(C)C)C1=O 2209306 SXUMTPRRAHSENO-PHJXOXRPSA-N 474.517 3.096 10 40 JGCB CC[C@]1(C(=O)O)N[C@@H](c2ccc(OC)cc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21 8869801 CPIOMSQHTINNCB-YGWSKSRPSA-N 460.486 3.238 10 40 JGCB COc1cc(C(=O)NN2C(=O)/C(=C\c3nc4ccccc4[nH]3)SC2=S)cc(OC)c1OC 8869975 BTLJMKPHQISZLX-MHWRWJLKSA-N 470.532 3.135 10 40 JGCB O=C1NC(=O)C(=Cc2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)C(=O)N1 409070490 YLTFWDUDNLDAMS-UHFFFAOYSA-N 475.693 3.164 10 40 JGCB COc1ccc(N2CCN(C(=O)/C=C/c3ccc(CNS(=O)(=O)c4ccccc4)o3)CC2)cc1 409188682 JTYITDIAQTZCHF-BUHFOSPRSA-N 481.574 3.129 10 40 JGCB C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Br)c2)C1=O)C(=O)O 409191267 FSZIYLRCBHKQRQ-BTAWCLGRSA-N 475.320 3.132 10 40 JGCB COc1ccc(C(=O)COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c(OC)c1 13101281 AAEUNOJMVHMFBY-UHFFFAOYSA-N 475.409 3.427 10 40 JGCB COc1c2c(cc3c1[C@H](CN/C=C1/C(=O)N(c4ccccc4Cl)C(=O)N=C1O)N(C)CC3)OCO2 104160148 XXYOYPCHRJQHRH-SHRNQRGKSA-N 498.923 3.203 10 40 JGCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)c([N+](=O)[O-])c1)[C@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 101859515 SPBHKIKKXSVCFK-NJYVYQBISA-N 486.411 3.429 10 40 JGCB CSCC[C@H](CO)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1616044805 WXBCMXXQQGTNOR-NSYGIPOTSA-N 478.618 3.018 10 40 JGCB COCCN1C(=O)/C(=C/c2c(N3CCc4ccccc4C3)nc3c(C)cccn3c2=O)SC1=S 2398628 KZXWEDOIVXOTOR-ZHZULCJRSA-N 492.626 3.413 10 40 JGCB COc1ccc(N2CCN(CCCNC(=O)COCc3cc(-c4cccs4)on3)CC2)cc1 20249079 AHUKXMMBMJJAHY-UHFFFAOYSA-N 470.595 3.257 10 40 JGCB COC(=O)c1c(NC(=O)COc2ccc(N3CCN(C(C)=O)CC3)cc2)sc2c1CCCC2 32957872 OYTCGSVXHMZBOH-UHFFFAOYSA-N 471.579 3.100 10 40 JGCB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)o1 408948986 HQYRRGHXWMEUSD-GZTJUZNOSA-N 460.398 3.128 10 40 JGCB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)cc1 9379107 GRPVQTQVJKFMOO-AREMUKBSSA-N 475.501 3.481 10 40 JGCB CCOc1cccc(N2C(=O)/C(=C\c3cc(Br)c(O)c(OC)c3)C(=O)NC2=S)c1 16693223 JUPVHHKYTIKFIB-AUWJEWJLSA-N 477.336 3.393 10 40 JGCB O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\NCc1ccc2c(c1)OCO2 98086651 VBNSVFXIBRBHKW-ZSOIEALJSA-N 450.303 3.144 10 40 JGCB CC(=O)N(C(=O)CC(=O)N1N=C(C)[C@H](/N=N/c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Cl)cc1 102957219 BWYKHKMSRWKBEB-TWMRLEJJSA-N 484.856 3.415 10 40 JGCB O=C(O)CCc1ccc2c(c1)CN(Cc1ccc(N3CCOCC3)cc1)CC(=O)NCCCCCO2 643572295 GNGFZAQRQUXFDH-UHFFFAOYSA-N 495.620 3.222 10 40 JGCB O=C(O)CN1C(=O)/C(=C\c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)SC1=S 2025930 SETLNGHMONZAEP-PJQLUOCWSA-N 489.443 3.008 10 40 JGCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(C)n1-c1ccc2c(c1)OCO2 9782021 LSGMVLUNYUZEKT-SANMLTNESA-N 457.486 3.399 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccoc3)c(=O)n2[C@@H]1c1ccc(N(CC)CC)cc1 13959703 DUMKCFDBAZZOLG-VOSMRYOYSA-N 465.575 3.238 10 40 JGCB COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)CC2 16554110 QLZDGWOEDHXCDN-UHFFFAOYSA-N 456.498 3.476 10 40 JGCB CN(CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)CC1CCCCC1 95927139 OHAKCPVNECMWEU-NDENLUEZSA-N 475.636 3.245 10 40 JGCB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCCCC4)cc3)CC2)cc1 225496455 ARCMEILPULDSTO-UHFFFAOYSA-N 471.623 3.403 10 40 JGCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccccc1Br 408897803 ZPKORKSDOACFBK-UHFFFAOYSA-N 465.687 3.440 10 40 JGCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O)c1ccc([N+](=O)[O-])cc1 409356964 HQPJVLCKOIYPLN-NDENLUEZSA-N 498.473 3.259 10 40 JGCB CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C2CCCC2)C1=O 1480741 NLCNGTPQVSWNSO-RQNDZEIBSA-N 458.609 3.330 10 40 JGCB COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(F)cc3)CC2)cc1 22247090 SELWGSISQVITCY-VWLOTQADSA-N 497.592 3.073 10 40 JGCB Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3\SC(=S)N(C)C3=O)c(=O)n2c1 1451392 WCPJTBQWNUOGRI-UYRXBGFRSA-N 495.605 3.300 10 40 JGCB CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccco2)C1=O 2377755 WTZWKTGJIHIPON-AYCSXLNKSA-N 470.576 3.180 10 40 JGCB CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)C(=N)N21 20207106 JLEBFSOZEFHNTK-AYYHGXMZSA-N 498.428 3.163 10 40 JGCB CN1CCN([C@H](CNS(=O)(=O)c2ccc3ccccc3c2)c2ccc3c(c2)CCN3C)CC1 22735808 DWMNIBMAJNDNKB-AREMUKBSSA-N 464.635 3.099 10 40 JGCB O=C1c2ccccc2C(=O)c2c1c(C(=O)N1CCN(Cc3cccnc3)CC1)c1ccccn21 95475057 SALZMADYRZASHE-UHFFFAOYSA-N 450.498 3.068 10 40 JGCB COc1ccc(N2CCN(C(=O)CSc3ncnc4c3cnn4-c3ccccc3)CC2)cc1 929831 SUHHOMNMURYGRM-UHFFFAOYSA-N 460.563 3.265 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(C)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 2305394 KIGYJGIEIZDBON-RNHBDSLOSA-N 461.587 3.173 10 40 JGCB CCn1c(SCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)nnc1C1CC1 9220949 CKGGWQJIEWHIAC-UHFFFAOYSA-N 459.597 3.205 10 40 JGCB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 13674803 CWURNENRKCYSFW-UHFFFAOYSA-N 479.602 3.419 10 40 JGCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 27551245 UCEDBQVCRDBPDM-UNOMPAQXSA-N 451.460 3.098 10 40 JGCB CCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)c(I)c2)SC1=S 107770801 WLQUFZUJZAFOFO-GHXNOFRVSA-N 463.318 3.064 10 40 JGCB Cc1cc2nc3s/c(=C\c4cc(C)n(-c5ccc(S(N)(=O)=O)cc5)c4C)c(=O)n3c2cc1C 409391526 IKEIXXICQWHOQO-UUYOSTAYSA-N 478.599 3.129 10 40 JGCB COc1cccc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)c1OC 2454414 CCMPMJFAVXVNCO-WJDWOHSUSA-N 450.563 3.107 10 40 JGCB Cc1cc(C(=O)COC(=O)CCS(=O)(=O)c2ccccc2)c(C)n1-c1ccc2c(c1)OCCO2 9283623 MJOYZKJEOYWTFK-UHFFFAOYSA-N 483.542 3.455 10 40 JGCB N=C1/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 9210197 OVUQIDAFGVOOGD-QNPCYTEQSA-N 489.557 3.134 10 40 JGCB O=C(COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 408555009 UXKGVYKIVMXSTE-UHFFFAOYSA-N 468.680 3.414 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)O 409039821 DSESWEOLBJYHFP-WUXMJOGZSA-N 465.245 3.132 10 40 JGCB O=C(Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21)NC[C@H]1CCCO1 409130904 XBOYGVGQTBFPCP-ZXOBRZISSA-N 485.631 3.317 10 40 JGCB CCCOC(=O)CN1C(=O)/C(=C2/C(=O)N(CC)c3ccc(Br)cc32)SC1=S 1809485 WBAAHEULSWHMON-PFONDFGASA-N 469.382 3.340 10 40 JGCB COc1cccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)c2ccco2)c1O 9260393 QSOBIUMVJLVZON-GOSISDBHSA-N 455.492 3.357 10 40 JGCB CC(=O)c1ccc(N2CCN(CC(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)CC2)c(F)c1 12597616 RIFVTTGAPQBNHI-RUZDIDTESA-N 496.627 3.424 10 40 JGCB CCCN1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 16700569 HATZIGQXXXCIMR-PGICLHPDSA-N 458.609 3.228 10 40 JGCB COCCOC(=O)c1sc(N/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C(=O)OC)c1C 44827066 RJXWKRFJRCUNEP-FOWTUZBSSA-N 457.508 3.365 10 40 JGCB COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1O 408774067 VOHWFBZIKIVHPF-OVCLIPMQSA-N 492.269 3.289 10 40 JGCB CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)NC1=S 408912766 RYCNMXQCGFHUDY-OQLLNIDSSA-N 476.308 3.193 10 40 JGCB COCCN1C(=O)/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C(=O)N(c2ccccc2)C1=O 409019515 JNWGZDLKQWSZPA-PGMHBOJBSA-N 459.458 3.201 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409266686 KVKWVSXQGWNDEJ-UHFFFAOYSA-N 492.315 3.467 10 40 JGCB CC[C@H](C)[C@H](CO)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1616044675 QGUDVNUGAKWEDG-CWVVSJDFSA-N 460.578 3.311 10 40 JGCB Cc1cc(C(=O)CN2C(=O)C(=O)N(CCc3cccs3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 8721096 MIESEJLFTCVVDB-UHFFFAOYSA-N 479.514 3.101 10 40 JGCB COc1ccc(S(=O)(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc(C)c2O)cc1 26786811 POAUCQHOHMNHRT-UHFFFAOYSA-N 478.504 3.251 10 40 JGCB CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)Nc2ccccn2)cc1 100334470 HMMJBTDPNPTRQK-DDJBQFQUSA-N 492.517 3.301 10 40 JGCB COc1ccc(OC)c(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1 104900683 FUVJMENAGDQODA-YTFSRNRJSA-N 483.476 3.399 10 40 JGCB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2)cc1 409207813 ALLYIXMNAVNOBM-PXLXIMEGSA-N 455.470 3.252 10 40 JGCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 12534208 PBIXAPBGTRUKMG-UHFFFAOYSA-N 468.535 3.149 10 40 JGCB CC(=O)NCCc1c(/C=C2\C(=O)N=C(O)N(c3ccccc3Cl)C2=O)[nH]c2ccccc12 17206680 QSBFVGRRPSLMHD-FOWTUZBSSA-N 450.882 3.371 10 40 JGCB COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1O 408847948 XCPCXOGNFJQRDI-OVCLIPMQSA-N 492.269 3.289 10 40 JGCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCCN4CCCC4=O)c4ccccc34)[C@H]21 1565524501 IWIUUWAQNMIROY-NDEPHWFRSA-N 499.615 3.307 10 40 JGCB CC1(C)C[C@H](O)C[C@@](C)(CN/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)C1 6232514 SRTNTYUGBUHPJO-HFHGARRFSA-N 464.360 3.083 10 40 JGCB CCN1C(=O)/C(=C/C=C2/N(CC)c3ccc(S(=O)(=O)N(C)C)cc3N2CC)SC1=S 9019368 YOZRKINEHFHQNG-WHYMJUELSA-N 466.654 3.209 10 40 JGCB O=C(COC(=O)CNC(=O)c1ccccc1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 9141225 PMQUCZMCIJLARS-UHFFFAOYSA-N 476.872 3.027 10 40 JGCB CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)Nc2ncccn2)cc1 104225893 HRJNALBHZAXUKU-GREHKBSCSA-N 497.924 3.442 10 40 JGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 9477841 DUNPKVKALQUJRK-UHFFFAOYSA-N 471.623 3.360 10 40 JGCB COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c3ccco3)CC2)cc1 15881688 JFWTVEBNSFJDCF-QFIPXVFZSA-N 486.550 3.038 10 40 JGCB CCOc1cc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)ccc1O[C@H](C)C(=O)O 32115728 QDHJNHCJCSFIKV-GPLLRDDGSA-N 454.435 3.453 10 40 JGCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)N2CCc3ccccc3C2)cc1 36683819 VAMKPBPFYUMGBZ-XMMPIXPASA-N 486.572 3.336 10 40 JGCB COc1ccc(N2CCN([C@H](CNC(=O)c3cccc([N+](=O)[O-])c3)c3ccco3)CC2)cc1 56946021 WESUENRKSPHJCZ-JOCHJYFZSA-N 450.495 3.490 10 40 JGCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3cc4[nH]c(O)nc4cc3Br)C2=O)c1 408532393 MNHLZLQMJLQIKR-DHZHZOJOSA-N 470.283 3.227 10 40 JGCB CSc1nnc2c(n1)O[C@@H](c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)N(C(C)=O)c1ccccc1-2 15015681 HMUDIQIGVWRGBS-SFHVURJKSA-N 470.423 3.227 10 40 JGCB COc1ccc(N2CCN([C@@H]3c4ccccc4C[C@@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 58164937 NJPTYNRWKJYJIF-IZZNHLLZSA-N 463.603 3.462 10 40 JGCB CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1ccc(SC)cc1 67287012 FBRMKNCLXLJCEK-XMMPIXPASA-N 496.633 3.410 10 40 JGCB COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccccc4)cc3)CC2)cc1 16217045 RINCWMVWIZHTPZ-UHFFFAOYSA-N 481.574 3.224 10 40 JGCB CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)N3CCOCC3)ccc21 22735617 AGHLCAWRYSRGIO-XMMPIXPASA-N 457.640 3.328 10 40 JGCB COc1ccc(N2CCN(C(=O)Cn3ccc(=O)c4cc(Br)ccc43)CC2)cc1 225730443 ANVAMCSUHYCEGJ-UHFFFAOYSA-N 456.340 3.121 10 40 JGCB O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(C(=O)C(=O)c2ccccc2)cc1 9469200 LWSRQFYQZNJAKL-UHFFFAOYSA-N 456.498 3.258 10 40 JGCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(I)o3)C2=O)c1 408854313 CHNCNAYVCVRUAG-UKTHLTGXSA-N 496.257 3.348 10 40 JGCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2OC)C1=O 409171498 CGBXPECBYGQBSD-FOWTUZBSSA-N 467.547 3.144 10 40 JGCB Cc1nccn1CCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1565524410 MDNFLMGPDOVKOK-HHHXNRCGSA-N 482.588 3.500 10 40 JGCB COc1cc(C(=O)NN2C(=O)/C(=C\c3nc4ccccc4n3C)SC2=S)cc(OC)c1OC 8869984 XPMRMMRONJYTED-GZTJUZNOSA-N 484.559 3.145 10 40 JGCB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1OC 9138395 OIHVPAJDEKOLSU-HSZRJFAPSA-N 480.609 3.368 10 40 JGCB Cc1oc2c(CN3CCN(S(C)(=O)=O)CC3)c(O)ccc2c(=O)c1-c1ccccc1Cl 14216973 ZZWRBIKBDSYEAV-UHFFFAOYSA-N 462.955 3.205 10 40 JGCB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c1 48260973 YENNYJLQJSRQMJ-UHFFFAOYSA-N 483.590 3.190 10 40 JGCB CCN(CC)c1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(Cl)cc4)nn3c2=O)cc1 16735571 HKIBTLXOVCQORL-ZHZULCJRSA-N 452.967 3.149 10 40 JGCB O=C(/C=C\c1ccc(O)c(O)c1/C=C\c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O 70451083 YMGFTDKNIWPMGF-ISYAZRPWSA-N 494.452 3.343 10 40 JGCB biogenic,in-vitro CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)cc(OC)c3)C2=O)cc1 408866937 IMTZCFALQLNQFL-LICLKQGHSA-N 492.269 3.365 10 40 JGCB NS(=O)(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)o2)cc1 2288677 WMDIJJPXQYFCRR-SFQUDFHCSA-N 480.589 3.440 10 40 JGCB CCOC(=O)N1CCN(C(=O)CN2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)CC1 8661005 OLMRSBXOGHBGMI-UEUHXYKBSA-N 459.593 3.135 10 40 JGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 408787025 ZTTVXFKENGRLPW-BHMTVCBESA-N 470.566 3.079 10 40 JGCB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc4c(c3)n(C)c(=O)n4C)SC2=S)c(Cl)c1 409159932 CBCCRVUIPDKLSI-LICLKQGHSA-N 472.979 3.385 10 40 JGCB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(NC(=O)[C@@]34CC[C@@](C)(C(=O)C3=O)C4(C)C)cc1)C(=O)C2=O 27986879 IQNSKMDSNCIHHG-KXSOJQAOSA-N 492.572 3.493 10 40 JGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(I)cc3)C2=O)c(C)c1 408530688 MLJYSJRPSFKJKH-XNTDXEJSSA-N 461.259 3.487 10 40 JGCB Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ccc4nc(O)[nH]c4c3)C2=O)c(C)cc1Br 408531638 OSHHNVNESPLRGY-XYOKQWHBSA-N 470.283 3.227 10 40 JGCB CCOc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(Br)cc3)C1=O)OCO2 408960114 BXOCSEGOWQPVKA-VGOFMYFVSA-N 459.252 3.243 10 40 JGCB CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCC1 9135741 CCKQGUNHCRLSNC-HSZRJFAPSA-N 450.583 3.360 10 40 JGCB Cc1cc(-n2c(C)cc(/C=C/C(=O)N3C[C@@H](C(=O)N4CCOCC4)Oc4ccccc43)c2C)no1 14200055 RTHAJDGQKQRHRP-YVSHKSEASA-N 476.533 3.057 10 40 JGCB C=c1[nH]c(=S)n(-c2ccc(F)cc2)c(=O)/c1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C 111505585 BYXKFUMGCNYSPB-HMAPJEAMSA-N 475.545 3.467 10 40 JGCB CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)C1=O 5947691 VVZSPRBIUPUSIF-LDADJPATSA-N 467.482 3.161 10 40 JGCB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2c(O)c(Cl)cc(Cl)c2O)CC1 12773741 OBYOHOKXSCOCDX-UHFFFAOYSA-N 476.338 3.128 10 40 JGCB CC(=O)Nc1ccc(/N=N\c2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)cc1 17302800 AIUTZJHEOARBOV-MRCUWXFGSA-N 465.465 3.413 10 40 JGCB CN(C)c1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(C(=O)c3ccco3)CC2)cc1 19584849 LZNBVCVJRRDDKL-QHCPKHFHSA-N 463.586 3.385 10 40 JGCB CCOc1ccccc1C(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 98002888 SHDMAYSRNGHIPR-UNOMPAQXSA-N 456.545 3.445 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(NC(=O)c4ccccc4)c3C)C2=O)c(OC)c1 409216730 KWHDJTLBCVVZRK-DEDYPNTBSA-N 488.500 3.172 10 40 JGCB O=C1/C(=C/c2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2345902 YKVDGZLMWHCICL-VBKFSLOCSA-N 470.601 3.242 10 40 JGCB Cn1c(-c2ccccc2)cnc1SCC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 9338217 YEGOGLHLBWYNHX-FQEVSTJZSA-N 455.605 3.395 10 40 JGCB COc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)cc1OC 24101581 OMIIMLHTFDOKTL-AWEZNQCLSA-N 480.608 3.354 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1ccc(Br)cc1 658608 FFQOJOUTGBDWQW-OQLLNIDSSA-N 461.337 3.293 10 40 JGCB Cc1ccc2nc(NCCO)c(/C=C3\SC(=S)N(CCCc4ccccc4)C3=O)c(=O)n2c1 2369659 YULVVFKFGJVLND-RGEXLXHISA-N 480.615 3.241 10 40 JGCB COc1ccc(N2CCN3c4cc(Cl)ccc4CC4(C(=O)OC(C)(C)OC4=O)[C@H]3C2)cc1 8773658 AVBDJXUBMUCWAQ-HXUWFJFHSA-N 456.926 3.422 10 40 JGCB CN1CCN([C@H](CNS(=O)(=O)c2ccc3ccccc3c2)c2ccc(N(C)C)cc2)CC1 22666164 XVBCMKWZRCWJMM-RUZDIDTESA-N 452.624 3.173 10 40 JGCB CN1CCN([C@H](CNC(=O)c2ccc(Br)o2)c2ccc3c(c2)CCCN3C)CC1 22734797 HWVNKENQKBGHTI-LJQANCHMSA-N 461.404 3.143 10 40 JGCB COc1ccc(N2CCN(C(=O)Nc3snnc3C(=O)NCc3ccc(Cl)cc3)CC2)cc1 25183907 XHJKFBISVCOFEV-UHFFFAOYSA-N 486.985 3.484 10 40 JGCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 112297921 RYJDPHKMVHOGRI-QJOMJCCJSA-N 476.558 3.157 10 40 JGCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)cc(OC)c3O)C2=O)cc1 408981805 CPXGVLUHJLGECK-DHDCSXOGSA-N 492.269 3.234 10 40 JGCB O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2 9357357 RXBBADNPSHEPGM-FSSWDIPSSA-N 467.433 3.110 10 40 JGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 9885588 QJJLRXBADVXYEL-MDWZMJQESA-N 495.601 3.267 10 40 JGCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)NC1=S 9933804 FLXSYQDXBOVYIA-QGOAFFKASA-N 486.391 3.425 10 40 JGCB O=C1[C@H]2[C@@H](C(=O)N1CCc1ccccc1)[C@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 101902314 XEEDXIZDTUTCLW-ZLNRFVROSA-N 451.478 3.420 10 40 JGCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 409195599 UICHSTUJDTUBSI-VXLYETTFSA-N 489.509 3.352 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409252981 VLMURWMLRVTCPL-UHFFFAOYSA-N 471.897 3.122 10 40 JGCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C 409406404 JTEFSGZLQXSZDT-XSFVSMFZSA-N 457.486 3.483 10 40 JGCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 9468832 GYFHWWBWTKLYHB-QHCPKHFHSA-N 471.623 3.359 10 40 JGCB COc1ccc(N2CCN(C(=O)CSc3nc4cc(C)[nH]c4c(=O)n3C(C)C)CC2)cc1 67236105 JLAMHIDYDFJKKW-UHFFFAOYSA-N 455.584 3.063 10 40 JGCB COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 245229819 GNHJRZZAACCNPM-GFXAMXPBSA-N 487.531 3.410 10 40 JGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3O[C@@H](C)C(=O)O)C2=O)c(OCC)c1 409194735 QSOODTFGEUADHR-IQGJIOQQSA-N 468.462 3.002 10 40 JGCB CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)N2CCc3ccccc32)cc1 10188413 WKFJDOGDWVVUBB-DEOSSOPVSA-N 486.572 3.018 10 40 JGCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1O 16688233 PBYCHUJIHHCBGX-ZSOIEALJSA-N 489.278 3.006 10 40 JGCB CCc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5C=CSC5=NC4=O)cc3OC)nc2s1 20332070 MXTRVWPWRIYFFB-HSDIOQNSSA-N 494.558 3.078 10 40 JGCB COC(=O)C[C@@H](c1ccc(O)cc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96114332 GDOHSEKVIMUCKH-AWEZNQCLSA-N 480.425 3.389 10 40 JGCB biogenic O=C(O)COc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O 408847911 WSZZCDJGEJYKPH-DHZHZOJOSA-N 451.287 3.288 10 40 JGCB O=C(Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21)NC[C@@H]1CCCO1 409130902 XBOYGVGQTBFPCP-QKAAPCBHSA-N 485.631 3.317 10 40 JGCB Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1-c1ccc2c(c1)OCCO2 9220802 WQZNYKVKRMJQOB-KRWDZBQOSA-N 455.540 3.006 10 40 JGCB Cc1cc(C(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 9549494 NTLLSKHQQACUJN-OAQYLSRUSA-N 459.502 3.211 10 40 JGCB CCN(C(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2cc(Cl)ccc2OC)c1C)[C@@H]1CCS(=O)(=O)C1 12517325 ZXWKIODDRDWUDA-SJLPKXTDSA-N 497.013 3.337 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 15008757 IZLXWJMVJSWTPL-STZFKDTASA-N 457.486 3.483 10 40 JGCB Cc1ccccc1NS(=O)(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 16362977 KNOQUKVUQBTVQG-HKWRFOASSA-N 476.514 3.375 10 40 JGCB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)cc1Cl 20206379 IBJDLRHCCIULFA-ROQGJMCKSA-N 491.982 3.377 10 40 JGCB COc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 101135563 KUOBXOWTGPATGZ-STZFKDTASA-N 496.479 3.070 10 40 JGCB COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cc(C)ccc4C)CC3)CC2)cc1 225926547 KHQBPQKIDWQSNU-UHFFFAOYSA-N 471.623 3.062 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1O 409017288 MCHFYNOIUIKMDD-LFYBBSHMSA-N 451.273 3.134 10 40 JGCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(Br)cc1OCC(=O)O 409080483 DSWVDYIYFJMDSJ-AQCBWYQMSA-N 488.381 3.301 10 40 JGCB CC(=O)NCCc1c(/C=C2/C(=O)N=C(S)N(CCc3ccccc3)C2=O)[nH]c2ccccc12 1318969 FBGJZTVDXFHAIA-HKWRFOASSA-N 460.559 3.127 10 40 JGCB biogenic O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/NC1CCN(Cc2ccccc2)CC1 2248704 NCPGPVLZLPCKSV-XSFVSMFZSA-N 454.983 3.226 10 40 JGCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\NC(=O)Nc1ccc(C(=O)O)c(O)c1 16160638 QZYLEFPEXMBACC-DHDCSXOGSA-N 459.256 3.281 10 40 JGCB Cc1cccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1 20205632 FDYLHQVHUGMDDA-JJEZRMFNSA-N 484.559 3.074 10 40 JGCB COCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccccn3c2=O)SC1=S 26531848 OUGQPSJGAFKNAQ-LQXHQAILSA-N 472.636 3.415 10 40 JGCB CCc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5C(C)=CSC5=NC4=O)cc3)nc2s1 49690417 GVONOYWMYOPHSV-KZFMJZFPSA-N 478.559 3.459 10 40 JGCB CCOc1c(Br)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Br 59139381 GBAVPBHHPYWBBE-UHFFFAOYSA-N 462.163 3.209 10 40 JGCB COc1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 100417672 VMKMGFPFYITLHQ-BHIFYINESA-N 453.450 3.390 10 40 JGCB COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccc(F)cc1 107828129 MYGQRJXEJFGJFO-XSFVSMFZSA-N 461.449 3.313 10 40 JGCB Cc1cc(C(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)c(C)n1-c1ccc2c(c1)OCO2 8684407 SVXWVHGXTGMANL-UHFFFAOYSA-N 459.458 3.028 10 40 JGCB CC1=C2[C@H](CCS2(=O)=O)[C@@]2([S@@](=O)Cc3ccccc3)C(=O)c3ccccc3C(=O)[C@@H]2C1 8951194 VNNLTWNZHDGZPB-ZEVPVQKRSA-N 454.569 3.482 10 40 JGCB CCN(CC)c1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 224305892 AVCXSXOXVYVUGM-UHFFFAOYSA-N 459.597 3.424 10 40 JGCB O=[N+]([O-])c1ccc(/N=N\c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)cc1 8615212 UFCRMQZBTRPTQR-ZCXUNETKSA-N 469.409 3.068 10 40 JGCB CN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12607160 RIYBDXBPPORYJN-UHFFFAOYSA-N 455.624 3.301 10 40 JGCB Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)c1C 20206342 HYLGUAYKRPBRLB-OXMFYWCOSA-N 455.565 3.332 10 40 JGCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)CC1 225562651 WGZBGMGEEMLWEP-HXUWFJFHSA-N 471.623 3.435 10 40 JGCB COC(=O)COc1c(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cccc1OC 408533835 QXDVGEKDDPMYOX-MHWRWJLKSA-N 492.962 3.447 10 40 JGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\NC(=O)Nc3ccc(Br)cc3)C2=O)cc1C 408536345 WERXSXJVFQGGNM-MHWRWJLKSA-N 457.284 3.354 10 40 JGCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)OC)c(Br)c3)C2=O)cc1 408986871 NMPSHLTXWXJBKJ-YBEGLDIGSA-N 487.306 3.230 10 40 JGCB COC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c2ccccc21 409241726 UGFLRMFDGYBGQR-XNTDXEJSSA-N 453.907 3.299 10 40 JGCB CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 9165377 JKGHFDLMGIXGIY-RUZDIDTESA-N 477.609 3.309 10 40 JGCB O=C1/C(=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc2N1Cc1ccc(F)cc1 13810285 DZJQHJKGXTXINW-RAJOGRCSSA-N 488.587 3.131 10 40 JGCB COc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 18066800 LWIKTGSKAFPMNH-BHIFYINESA-N 453.450 3.390 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)NC2=S)c(OC)c1 409106527 NXJRRPUDRVOOBL-LDADJPATSA-N 478.486 3.234 10 40 JGCB Cc1cc(C(=O)COC(=O)CCc2nc(=O)c3ccccc3n2C)c(C)n1-c1ccc2c(c1)OCO2 3382030 XIABODFKEBWCQZ-UHFFFAOYSA-N 487.512 3.428 10 40 JGCB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3OC)C2=O)cc1 10059760 FGQZJVIXXPFQDQ-BKUYFWCQSA-N 483.546 3.215 10 40 JGCB CN(C)c1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(C(=O)c3ccco3)CC2)cc1 13504794 ZTMLDJDONVOBEG-XMMPIXPASA-N 489.555 3.067 10 40 JGCB CCOc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)cc1 214655022 BDBAOUYOCVDDMK-KGENOOAVSA-N 469.563 3.388 10 40 JGCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1Br 409192580 FDZWDDLIHNBPOU-NTEUORMPSA-N 475.320 3.377 10 40 JGCB COc1ccc(N2CCN(C(=O)COc3ncnc4c3cnn4-c3cc(C)cc(C)c3)CC2)cc1 8965802 DAHSLGNRDODPMS-UHFFFAOYSA-N 472.549 3.169 10 40 JGCB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)N=C2S1 41077868 XDUIXJVTNDKHDI-MQIWZSEOSA-N 463.544 3.311 10 40 JGCB COCCNC(=O)Cn1cc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)c2ccccc21 8663735 FCMWHUORSXJOFF-SFQUDFHCSA-N 464.453 3.050 10 40 JGCB COc1cc(N2CCCC2)c(OC)cc1/C=C1/NC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 12447825 ROJAQCMVNCQIQK-XDHOZWIPSA-N 464.522 3.144 10 40 JGCB NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1 28571506 WWMZPJTXJABEPN-BOPFTXTBSA-N 477.420 3.074 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC(=O)OC(C)C 33795191 ZOKLBJOUWGXLDE-SXGWCWSVSA-N 489.322 3.250 10 40 JGCB CCN(CC)c1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 224893306 OZHFAUSZCUFVMN-UHFFFAOYSA-N 459.597 3.424 10 40 JGCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cc(Br)cc(Cl)c1O 408947870 DIPHPZDYBGTXKV-WCIBSUBMSA-N 465.643 3.203 10 40 JGCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 409189294 OWIKGHVXBAPHBT-GZTJUZNOSA-N 463.427 3.384 10 40 JGCB COCCN1C(=O)/C(=C/c2c(N3CCc4ccccc4C3)nc3ccc(C)cn3c2=O)SC1=S 2373149 NUVUYFKZIPENRR-MOSHPQCFSA-N 492.626 3.413 10 40 JGCB COc1ccc(N2C(=O)C(=O)N(CC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)cc1 9876702 FPAUKDYRHMQRGS-UHFFFAOYSA-N 475.457 3.010 10 40 JGCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N[C@@H](CO)Cc2ccccc2)C1=O 10232945 OWXPKHGGQFIONK-WRDGEJPTSA-N 456.589 3.006 10 40 JGCB O=C1[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 18180294 QFJDYCCCXWBNMV-ACRUOGEOSA-N 468.421 3.290 10 40 JGCB biogenic Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(O)c(I)c3)C(=O)NC2=S)c1 1407665 KCYXZGMCTCWZQJ-MDWZMJQESA-N 478.311 3.445 10 40 JGCB CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCC(=O)O)C1=O 13513080 YJMBGEOJOSEOSC-PEZBUJJGSA-N 474.608 3.387 10 40 JGCB Cc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5N=C(C(C)C)SC5=NC4=O)cc3)nc2s1 41083336 UTFUOGJXLAUHQC-UYGYSEMNSA-N 493.574 3.314 10 40 JGCB Cc1ccccc1CN(C)CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 95927137 JJQNATPHJHOEJO-MTJSOVHGSA-N 483.615 3.173 10 40 JGCB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)nc1 223149135 JJNJSDAWYWIKJV-RPBOFIJWSA-N 476.650 3.497 10 40 JGCB CCN1CCN(Cc2c(O)ccc3oc(-c4cc(OC)c(OC)c(OC)c4)cc(=O)c23)CC1 19794111 SEDUTLFPZNJVBB-UHFFFAOYSA-N 454.523 3.329 10 40 JGCB O=C(COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1cccc(F)c1 33386521 WFULXSMTOUBIOA-NDENLUEZSA-N 476.420 3.213 10 40 JGCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC 408945837 XNYQZJPFUFTMGS-RIYZIHGNSA-N 489.278 3.221 10 40 JGCB O=S(=O)(Nc1ncccn1)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1 16546042 ZTXQZDDZQDFDRS-UHFFFAOYSA-N 475.335 3.091 10 40 JGCB COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCN(c2ccc(OC)cc2)C[C@H]1C 102760854 DFZKSUYBBCSKNR-QGZVFWFLSA-N 450.539 3.421 10 40 JGCB CCC(=O)NCCc1c(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)[nH]c2ccccc12 2427634 HIGVRFZPACLGNT-RGEXLXHISA-N 460.559 3.376 10 40 JGCB Cc1ccc(N2C(=O)N(CC(=O)c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)C(=O)[C@@H]2C)cc1 9367757 YGDSJSNSIQFEQA-SFHVURJKSA-N 494.573 3.090 10 40 JGCB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)OCCCn1c(=O)[nH]c3ccccc31)c2[N+](=O)[O-] 9499965 ICCKLFAHZGUBJT-UHFFFAOYSA-N 471.425 3.260 10 40 JGCB Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 19429593 KWRYOHACTNUZMQ-UHFFFAOYSA-N 491.038 3.366 10 40 JGCB CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)C(C(=O)OC)=C1C 408869463 RZQHHPOTLVJDFU-STZFKDTASA-N 450.491 3.405 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)Cn3cnc4ccc([N+](=O)[O-])cc4c3=O)c2C)cc1 8826359 FKAPLJKIKRHKDN-UHFFFAOYSA-N 460.446 3.382 10 40 JGCB COC[C@H](C)NC1=NN=C(c2cc(C)n(-c3cc(C(=O)OC)cc(C(=O)OC)c3)c2C)CS1 9631457 PFQJRXPFQTWZEM-ZDUSSCGKSA-N 472.567 3.099 10 40 JGCB CCNC(=O)c1c(NS(=O)(=O)c2cc(NC(C)=O)ccc2OC)sc2c1CCCC2 11615625 JWMANRFAGYXSLE-UHFFFAOYSA-N 451.570 3.144 10 40 JGCB COc1ccc(-n2nnnc2CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 21151199 ZKKXCJOJWSNFPH-UHFFFAOYSA-N 462.341 3.327 10 40 JGCB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccc(F)cc1 107828126 MYGQRJXEJFGJFO-ZHZULCJRSA-N 461.449 3.313 10 40 JGCB CCOc1cccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)c1OCC(=O)O 409213649 UGGPUQNCHBIGKF-ZROIWOOFSA-N 464.546 3.156 10 40 JGCB C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1)C(=O)O 3771660 XTAQVVSCZZOVMV-HPUUJOOBSA-N 475.320 3.132 10 40 JGCB Cc1cc(/C=C/C(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c(C)n1-c1ccccc1 9469017 FNEKZEJGKDICHZ-CCEZHUSRSA-N 469.545 3.251 10 40 JGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(C(=O)OCCN(CC)CC)cc3)C2=O)cc1 16678389 UKYJQANSLWBYQM-OQKWZONESA-N 494.548 3.163 10 40 JGCB O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)c([N+](=O)[O-])c1 18067737 SPBHKIKKXSVCFK-HKBOAZHASA-N 486.411 3.429 10 40 JGCB CCCOc1ccc(CN2C(=O)N=C(O)/C(=C\c3ccc(OCC(=O)O)cc3)C2=O)cc1OC 20030428 RBDXUOSTWQFYIJ-WOJGMQOQSA-N 468.462 3.450 10 40 JGCB CCOC(=O)[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 107746539 OBVXUMKUWMUROD-CDCQXCROSA-N 459.842 3.040 10 40 JGCB CSCC[C@@H](CO)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1616044811 WXBCMXXQQGTNOR-SSOJOUAXSA-N 478.618 3.018 10 40 JGCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCCCN2CCOCC2)cc1 19943962 UHPQVYVGKQFCPJ-NKFKGCMQSA-N 452.530 3.171 10 40 JGCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cccn3-c3cc(Cl)cc(Cl)c3)C(=N)N21 20211438 MQHQSBGJYQTAEI-UOVJKQRMSA-N 468.347 3.405 10 40 JGCB CN(C)c1ccc(CN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)[C@@H]2CCS(=O)(=O)C2)cc1 21786286 OUOKOHFWFGEUAZ-HXUWFJFHSA-N 497.573 3.008 10 40 JGCB COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c1C 41084372 BNDBYVCVPKZSPI-LCQIMXFNSA-N 478.578 3.320 10 40 JGCB O=[N+]([O-])c1ccc(/N=N\c2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)cc1 102972421 RQKNGEZEUZYGQS-ZCXUNETKSA-N 453.410 3.362 10 40 JGCB CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 224562818 HHUARDLNPAGASY-KRWDZBQOSA-N 462.572 3.220 10 40 JGCB COc1ccc(N2CCN(C(=O)c3cc4cc(N(C)S(C)(=O)=O)ccc4s3)CC2)cc1 13609822 MDASIOBRPLRKCU-UHFFFAOYSA-N 459.593 3.268 10 40 JGCB Cc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)cc2)cc1 41084555 ZWBILOGSQSODHD-DULIVUPNSA-N 475.530 3.123 10 40 JGCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC(C)C)cc3)C(=O)NC2=S)c1 409188530 ZYEYIVZROAZTDO-UDWIEESQSA-N 468.531 3.247 10 40 JGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC(C)C)C1=O 2209309 SXUMTPRRAHSENO-LUDQZLGDSA-N 474.517 3.096 10 40 JGCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(Cl)c3)C(=O)NC2=S)cc1 59250053 VHAXMLXJGNHWRE-OQLLNIDSSA-N 460.895 3.033 10 40 JGCB O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 113948827 GLDIMBZJWFRLSB-UHFFFAOYSA-N 492.041 3.035 10 40 JGCB Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C 223148877 MNDWYHNRPNWLEF-RPWUZVMVSA-N 476.650 3.497 10 40 JGCB O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 408722556 KLOQFLVAIZHUSZ-ONNFQVAWSA-N 483.245 3.347 10 40 JGCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)O 409044549 VWMPAIJGZUOBJS-ZROIWOOFSA-N 458.854 3.177 10 40 JGCB COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N3C(=O)C(=O)c4c(C)ccc2c43)S1 9762970 NTGCMBJZTDEIAN-UHFFFAOYSA-N 475.569 3.393 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1OC 27530615 NFMSFMQZVLOQOB-CAOOACKPSA-N 475.504 3.158 10 40 JGCB COC(=O)[C@]1(CCSC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 231643859 SXKUDXNGNIIOFW-QTDDQOEGSA-N 485.581 3.007 10 40 JGCB COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 9086561 WSYVCAZLQKSAFH-BHIFYINESA-N 453.450 3.390 10 40 JGCB COc1ccc(N2CCN(C(=O)CCCNC(=O)c3cc4ccc(OC)cc4[nH]3)CC2)cc1 12324395 BFZDMHMFHHQCAQ-UHFFFAOYSA-N 450.539 3.044 10 40 JGCB CN(C)c1ccc([C@H](c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)N2CCOCC2)cc1 19806102 XKENEBBNLDNBCT-OAQYLSRUSA-N 485.976 3.063 10 40 JGCB CC(=O)c1ccc(N2CCN(C(=O)COC(=O)c3sc4nc(C)cc(C)c4c3N)CC2)c(F)c1 22977406 JBFZVNLHPKISIW-UHFFFAOYSA-N 484.553 3.343 10 40 JGCB CCCCN(C(=O)CN(Cc1cccs1)c1ccc(OC)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O 62628320 OITDAMRZZVVRGZ-UHFFFAOYSA-N 499.637 3.439 10 40 JGCB Cc1c(N/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)c(=O)n(-c2ccccc2)n1C 100782514 XULKTZGVMCOPRK-HMMYKYKNSA-N 467.485 3.216 10 40 JGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1I 408904394 IVCYLSWLILEIIE-RIYZIHGNSA-N 480.233 3.495 10 40 JGCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 409355302 CQVUSWKEWGLNEX-DEDYPNTBSA-N 453.476 3.351 10 40 JGCB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 16036308 UABYVHZWHIGOCG-YZJQUUSSSA-N 465.600 3.086 10 40 JGCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C/NNc1nc2ccc(Br)cc2c(=O)[nH]1 16349455 JZUJSQLHISIQFP-MHWRWJLKSA-N 453.300 3.217 10 40 JGCB Cc1cc(=O)oc2cc(O[C@H]3O[C@@H]4CO[C@H](c5ccccc5)O[C@@H]4[C@H](O)[C@H]3N=[N+]=[N-])ccc12 77303605 MYWUUBHOPGUEKN-IYGHGDFISA-N 451.435 3.359 10 40 JGCB in-vitro CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OC 408809917 OOHHFJUKOOBWEC-NTEUORMPSA-N 492.269 3.365 10 40 JGCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 32192931 ZNMMWLPIWDDPGJ-NTEUORMPSA-N 496.770 3.363 10 40 JGCB O=C1[C@H]2[C@H](C(=O)N1c1ccc3c(c1)OCCO3)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O 102652401 OXUBLTFTGOCNQR-ZRBLBEILSA-N 481.460 3.153 10 40 JGCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCSCc1nc[nH]c1C 113469912 UFKDCRUUMGETKE-ZHZULCJRSA-N 484.607 3.391 10 40 JGCB CNS(=O)(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(Br)c(C)c3)N=C2C)cc1 408533569 OKZVPBDCOHQGCI-BOPFTXTBSA-N 463.357 3.384 10 40 JGCB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1Cl 408666597 RFVKLFDWUYSKEH-LVCYWYKZSA-N 466.921 3.384 10 40 JGCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1ccc(I)cc1 409390455 FMQHCBWFVSLFMU-SFQUDFHCSA-N 484.253 3.143 10 40 JGCB C[N+]1(C[C@@H](O)COc2ccc(Nc3ccc(N)c4c3C(=O)c3ccccc3C4=O)cc2)CCOCC1 8654925 KEFIROKCYRNIIG-LJQANCHMSA-O 488.564 3.004 10 40 JGCB CCNC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)sc2c1CCCC2 11615679 QHTLZHMQKABUNQ-UHFFFAOYSA-N 451.570 3.144 10 40 JGCB Cc1ccc(-n2nnnc2SCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 24981854 IKFVJLGRYXTSAJ-QFIPXVFZSA-N 466.611 3.337 10 40 JGCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1C 223583698 KCNXYADOBVKEIP-FCHUYYIVSA-N 467.551 3.371 10 40 JGCB COCCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2Br)C(=O)N(c2ccccc2)C1=O 409008750 FAYWDMOAYIQFST-WJDWOHSUSA-N 489.322 3.492 10 40 JGCB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 1698365 DTDAIIAKZFZSRC-UHFFFAOYSA-N 478.464 3.105 10 40 JGCB O=C1/C(=C/c2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 2671562 QSLQJNQOONXVBD-WIZMWCRPSA-N 456.593 3.065 10 40 JGCB CC[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716419 YLWCWIIYPVSENU-QHCPKHFHSA-N 459.612 3.205 10 40 JGCB COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)NC4CCCCC4)cc3)CC2)cc1 16217041 WYNDPLGGFNWWNZ-UHFFFAOYSA-N 487.622 3.034 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1OC 27530604 XOZYPLHRQMRWSZ-QGMBQPNBSA-N 458.517 3.272 10 40 JGCB O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 100414502 QFJDYCCCXWBNMV-HKBOAZHASA-N 468.421 3.290 10 40 JGCB O=C(C[C@H](C1=Cc2ccccc2OC1)c1c(O)n2ccccc2nc1=O)NCCc1ccc(O)c(O)c1 230463784 BXXPFTHZNAXSAN-HXUWFJFHSA-N 499.523 3.120 10 40 JGCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1OCC 409203277 VFLARKKDNPRUJJ-XNTDXEJSSA-N 455.423 3.154 10 40 JGCB CCN1CCC[C@@H]1CNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1616044618 IQKLBBYSBJXNNQ-XHCCPWGMSA-N 471.605 3.389 10 40 JGCB CSCC[C@H](CO)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1616044776 WXBCMXXQQGTNOR-CRICUBBOSA-N 478.618 3.018 10 40 JGCB O=C(O)CN1C(=O)/C(=C2/C(O)=Nc3c(Br)cc(Br)cc32)SC1=S 57200194 TZRBEACCKCGPQK-NTMALXAHSA-N 478.143 3.469 10 40 JGCB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCN(c2ccc(OC)cc2)[C@@H](C)C1 61932211 RVEYCJJLEHCPEM-INIZCTEOSA-N 466.538 3.121 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)O 409047651 PFSVAGSEENEOLT-WLRTZDKTSA-N 465.245 3.132 10 40 JGCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCn4ccnc4)c4ccccc34)[C@@H]21 1565524977 UCVWNZQRPFZWOG-AREMUKBSSA-N 468.561 3.191 10 40 JGCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 9299702 LBIURATWTDHWTR-VCHYOVAHSA-N 472.544 3.307 10 40 JGCB COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)NC2=S)c(OC)c1 409099096 RZDUGFOEFXPUDQ-BOPFTXTBSA-N 478.482 3.493 10 40 JGCB CCOC(=O)[C@H](C)Oc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33783405 AQGVPHFITNAOGF-IGWPVBGESA-N 459.296 3.241 10 40 JGCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCOCC1 408537047 YXBJUVKGQZKPPY-VBKFSLOCSA-N 452.902 3.477 10 40 JGCB O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NN1CCOCC1 8820177 WPMBDFYHKOORTB-VKAVYKQESA-N 454.017 3.465 10 40 JGCB Cc1cc(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C(N)=O)c(C)n1-c1cccc(F)c1 9349282 VWGQKXMPIYQBDO-UHFFFAOYSA-N 499.564 3.378 10 40 JGCB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)c1ccccc1O 12922351 AGIKBIZRABUWNA-OLZOCXBDSA-N 473.414 3.494 10 40 JGCB COC(=O)c1cccc(NC(=O)CSc2cc(N3CCN(c4ccc(OC)cc4)CC3)ncn2)c1 49006818 ULDJTLFFHBJJCN-UHFFFAOYSA-N 493.589 3.329 10 40 JGCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C 223148932 MNDWYHNRPNWLEF-BJKOFHAPSA-N 476.650 3.497 10 40 JGCB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408654221 AVGVTKMEYJSZAS-SBHAEUEKSA-N 496.947 3.393 10 40 JGCB COc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)=O)c(Br)c3)C(=O)NC2=S)cc1 408756368 RNVIGNZAGBRFCY-DHDCSXOGSA-N 475.320 3.214 10 40 JGCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(OC)c1 409189138 IXYVEODPEDKEMF-LDADJPATSA-N 453.520 3.071 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c(Br)cc1O 12468998 VCCCMHZJUVRPQR-YRNVUSSQSA-N 463.309 3.003 10 40 JGCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(F)cc1)OC21C(=O)c2ccccc2C1=O 169694391 GJYYRYPGPPBBPP-NJDAHSKKSA-N 486.411 3.429 10 40 JGCB COC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 409340477 XUGBYVHJZNYDAE-YBEGLDIGSA-N 462.936 3.438 10 40 JGCB COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NN2CCN(C)CC2)cc1 13625027 BDXXSVMDWSPEAN-PGMHBOJBSA-N 462.579 3.082 10 40 JGCB Cc1c(N/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(=O)n(-c2ccccc2)n1C 101087122 ZVLBDBGUHUDFLX-ZHZULCJRSA-N 475.574 3.352 10 40 JGCB CCOc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 408871183 YQFGYTRZTLEXQC-CXUHLZMHSA-N 478.242 3.062 10 40 JGCB CC(=O)NC1=NC(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)S1 409085149 YTSIVWIKIMVVBQ-MHWRWJLKSA-N 481.349 3.323 10 40 JGCB COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(C)cc3)c3ccco3)CC2)cc1 17050927 HAWRYGJDZREXDX-QHCPKHFHSA-N 455.580 3.438 10 40 JGCB CCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 28048194 NECJYRUULINCDT-XMHGGMMESA-N 492.619 3.241 10 40 JGCB CN1C(=O)C(=Cc2ccc(OCc3ccc4c(c3)OCO4)c(Br)c2)C(=O)N(C)C1=S 59139370 HJYXYLSUVGDQFR-UHFFFAOYSA-N 489.347 3.356 10 40 JGCB CCN1C(=O)C(=Cc2cn(CC(=O)NC3CCCC3)c3ccccc23)C(=O)N(CC)C1=S 96234409 PISBXXIIURTZTH-UHFFFAOYSA-N 452.580 3.079 10 40 JGCB Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)n1-c1ccc2c(c1)OCO2 9612585 AXYIWFZJYPZVIB-UHFFFAOYSA-N 484.530 3.113 10 40 JGCB COc1ccc(N2CCN(C(=O)CNc3ccccc3C(=O)NCCc3ccccc3)CC2)cc1 12534676 GFBMEERTCRDBAV-UHFFFAOYSA-N 472.589 3.428 10 40 JGCB COc1ccc(N2CCN(c3cc(SCC(=O)NCc4ccc(F)cc4)ncn3)CC2)cc1 49006864 CNCLUCHBXOOLLK-UHFFFAOYSA-N 467.570 3.359 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409089867 KQEJCPYBFNSJBA-UHFFFAOYSA-N 476.785 3.097 10 40 JGCB Cc1cc(C(=O)COC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c(C)n1-c1ccc2c(c1)OCO2 3365618 YRJXVQBSBLQWNS-GAJHUEQPSA-N 456.520 3.003 10 40 JGCB C[C@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9506735 RHFFHLRBCSYPJE-AWEZNQCLSA-N 492.509 3.018 10 40 JGCB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1cccc(OC(=O)c2cccs2)c1 32099633 ZBKIRUSAWFDWOZ-UYRXBGFRSA-N 467.528 3.421 10 40 JGCB O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(I)o1 36076699 WGRLXDCZHQYEMW-YRNVUSSQSA-N 487.047 3.313 10 40 JGCB CCOc1cc(Br)c(Br)c(/C=C2/C(=O)NC(=S)N=C2O)c1O 38199641 WHHXDGZFZRPPRJ-UHFFFAOYSA-N 450.108 3.071 10 40 JGCB C[C@H](Oc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1)c1ccccc1 41077801 AZBWZGUDPMXZSO-GEICVXQGSA-N 454.533 3.448 10 40 JGCB CN1C[C@H](c2ccccn2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccc(F)cc12 103020022 XEDGYKMVHBXKDM-GAZXMLTASA-N 494.573 3.490 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)c(C)c1 409132575 QMVKMTMKERRAJX-FYJGNVAPSA-N 497.573 3.084 10 40 JGCB Cc1ccc(NC(=O)COc2c(Cl)cc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)cc1 409227256 UUEDEFDWBMOHIM-UHFFFAOYSA-N 464.330 3.234 10 40 JGCB COc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1OC 8819404 LSYHTNJCCDIPAR-QNGOZBTKSA-N 483.615 3.254 10 40 JGCB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOCCOc1ccc(C)cc1 9057106 YXEDGCNALLKOAX-UHFFFAOYSA-N 482.533 3.302 10 40 JGCB COc1ccc2ccc(O)c(CN3CCN(S(=O)(=O)c4cc([N+](=O)[O-])ccc4C)CC3)c2c1 23425364 BRBJTLNYJHPNBR-UHFFFAOYSA-N 471.535 3.277 10 40 JGCB O=C(/C=C/c1ccccc1OC(F)(F)F)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 40151068 MHNNMZRJTLDZDH-JXMROGBWSA-N 454.470 3.150 10 40 JGCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 13073933 DNFQJBLELQWDQU-NCPSJORJSA-N 462.461 3.374 10 40 JGCB Cc1cc(CNCCc2ccccc2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 13138041 PNOZXSOHMPZUQA-UHFFFAOYSA-N 453.608 3.447 10 40 JGCB COc1ccc(N2CCN(CN3C(=O)N[C@@](Cc4ccccc4)(c4ccccc4)C3=O)CC2)cc1 23936842 PDTPUGMFZCQKDF-NDEPHWFRSA-N 470.573 3.465 10 40 JGCB CC[C@@H](C)n1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2cc(C)[nH]c2c1=O 67239109 FCMRYJKRSYYPSP-QGZVFWFLSA-N 469.611 3.454 10 40 JGCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(N2CCOCC2)cc1 223564456 HKQPWPKZXJNEPL-DQEYMECFSA-N 477.634 3.291 10 40 JGCB COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC 408789499 LPXOXZXCZMYFHH-LZYBPNLTSA-N 472.881 3.184 10 40 JGCB O=C(O)c1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)cc1 8746744 VQWKJYPOKYYISP-CQSZACIVSA-N 464.565 3.035 10 40 JGCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 9155985 ZARXLVSSOMZNDH-HHHXNRCGSA-N 487.512 3.278 10 40 JGCB CN1C(=O)C(=Cc2cc(Br)ccc2OCCOc2ccccc2)C(=O)N(C)C1=O 9434649 PUPMSMNHJFXAST-UHFFFAOYSA-N 459.296 3.341 10 40 JGCB COc1ccc(-n2c(C)cc(C(=O)OCC(=O)N(c3ccccc3)[C@H]3CCS(=O)(=O)C3)c2C)cc1 49581383 UKBLMZZNEABLOW-QFIPXVFZSA-N 496.585 3.480 10 40 JGCB Cc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)C(O)=NC2=S)cc1 59104365 TWBWWBBDKLZVOH-STZFKDTASA-N 488.569 3.480 10 40 JGCB Cc1c(N/C=C2/C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)c(=O)n(-c2ccccc2)n1C 100125893 AFRIBMYPQGFHGI-ZHZULCJRSA-N 459.506 3.187 10 40 JGCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 409014529 QAJIQHIFQKREIZ-CIAFOILYSA-N 479.533 3.232 10 40 JGCB CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(S(=O)(=O)Nc4nccs4)cc3)o2)C(=O)O1 5940164 ZCVICVVHZKDBEL-UHFFFAOYSA-N 460.489 3.423 10 40 JGCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1cccc(C(=O)O)c1 409188091 ABDSMNMFLCVZCM-UDWIEESQSA-N 489.509 3.322 10 40 JGCB COc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2OC)C1=O 409240884 QPTSAWKLMAWXTF-XSFVSMFZSA-N 464.522 3.226 10 40 JGCB CN(C)CCCCNc1ccc(NCCCCN(C)C)c2c1C(=O)c1c(O)ccc(O)c1C2=O 5012923 LPSUCJBWBVUILJ-UHFFFAOYSA-N 468.598 3.381 10 40 JGCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(O)cc1 223142480 JLKXNUNNQMPEDV-LOSJGSFVSA-N 477.634 3.499 10 40 JGCB CN1CCN(c2ccc(/C=C3/C(=O)NN(c4ccc(Cl)c(Cl)c4)C3=O)cc2[N+](=O)[O-])CC1 16189180 NSVCONIWOCPXJD-GDNBJRDFSA-N 476.320 3.115 10 40 JGCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4C)cc3)C(=O)N=C2S1 41084091 ZGSAXOIGHBDEFU-CQNRAENFSA-N 498.586 3.464 10 40 JGCB COc1ccc(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c(OC)c1 95927145 OMLMVGMGWKBTAL-GRSHGNNSSA-N 472.544 3.064 10 40 JGCB CCN(CC)c1ccc(CNC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 222830911 ZYQVPYFOKICOAS-OAQYLSRUSA-N 466.003 3.420 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408912407 FURVITCWHMNZNA-VGOFMYFVSA-N 461.883 3.092 10 40 JGCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCCN4CCCC4=O)c4ccccc34)[C@@H]21 1565524500 IWIUUWAQNMIROY-MUUNZHRXSA-N 499.615 3.307 10 40 JGCB COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 9138363 UYEUROBRPARCKB-XMMPIXPASA-N 450.583 3.360 10 40 JGCB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2cccc(C(=O)O)c2)C1=O 408533665 OSNYDJWZONBNSL-XNTDXEJSSA-N 458.268 3.289 10 40 JGCB O=C(NN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC1=S)c1cccs1 409339335 HMVDXAZTKDINMH-WJDWOHSUSA-N 476.561 3.039 10 40 JGCB Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c(C)c1 41077755 GVKAGHLFQBMFHL-PCHQCWAOSA-N 498.586 3.383 10 40 JGCB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(C(=O)OC)cc4)C3=O)o2)cc1 666846 LHIVFNJSCXAQGD-ZHZULCJRSA-N 460.442 3.371 10 40 JGCB CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(CCC(C)C)C2=O)CC1 8858004 RBUTVGHGROIMNO-RGEXLXHISA-N 485.679 3.392 10 40 JGCB COCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S 9464109 DEWSXBGBVKELPQ-ATVHPVEESA-N 476.624 3.078 10 40 JGCB COc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)cc1OC 100414956 SAYDYYCTSDEPKJ-VABKMULXSA-N 483.476 3.399 10 40 JGCB C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)cc2)C1 222623093 XYEJOOJCLLCACC-RTBURBONSA-N 459.612 3.402 10 40 JGCB CCc1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 408665746 QEIXDEANYPIWKI-XPWALMASSA-N 460.530 3.293 10 40 JGCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(C(=O)O)cc1 408968443 YWHIBFLYZVVZAB-RQZCQDPDSA-N 459.501 3.258 10 40 JGCB COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 9311598 KZOJEEDNQZAXNW-VGOFMYFVSA-N 479.272 3.220 10 40 JGCB Cc1cc(C(=O)COC(=O)c2cccs2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 15156120 JKBCXBDUPDIFRE-UHFFFAOYSA-N 488.587 3.216 10 40 JGCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1O[C@@H](C)C(=O)OC 35084826 GMZMLHDQGOHSJT-ATTDUZETSA-N 489.322 3.250 10 40 JGCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 59109589 WEDYZNDWIBOYGS-UHFFFAOYSA-N 467.551 3.201 10 40 JGCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 409010169 JWAUGOZLWUECMC-CIAFOILYSA-N 472.563 3.395 10 40 JGCB COCCN1C(=O)/C(=C/c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S 2419081 JRWPLJHKGMYZEK-RGEXLXHISA-N 478.599 3.105 10 40 JGCB Cc1cc(C(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c(C)n1-c1ccc2c(c1)OCCO2 9285835 FFDICUPIJYEESD-SFHVURJKSA-N 478.501 3.233 10 40 JGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc2c(c1)OCO2 35331730 IQROTKMKSFJLAT-BOPFTXTBSA-N 473.397 3.004 10 40 JGCB C[C@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 54360675 KHYXNTTUKDRWGZ-LPXFMOJISA-N 456.545 3.070 10 40 JGCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1C 100148491 HFRBXPDBGFOZNM-ZHZULCJRSA-N 474.970 3.388 10 40 JGCB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)C(=O)OC3)o1 100734126 LMQYMPQZUUCTTR-YBFXNURJSA-N 463.471 3.071 10 40 JGCB CSc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1NC(=O)C(C)C 224470930 ZOSLFIJXROAMGT-UHFFFAOYSA-N 463.625 3.318 10 40 JGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br 408810527 TUVCWIWXPMLSDU-RIYZIHGNSA-N 460.240 3.422 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)NC(=O)c3ccco3)c2C)cc1 39222512 RROSMHAREUAKSF-HNNXBMFYSA-N 452.463 3.018 10 40 JGCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2nnnn2-c2ccccc2)o1 408991972 PKHZFRBLGJSBJT-GHRIWEEISA-N 458.459 3.073 10 40 JGCB CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1 21887177 OTGQRMOCAXMBBB-VWLOTQADSA-N 464.610 3.321 10 40 JGCB CCCOc1ccc(Cc2nn3c(=O)/c(=C\c4ccc(N(CC)CC)cc4)sc3nc2=O)cc1 26779382 UQGKGJWTXXHRHP-HAVVHWLPSA-N 476.602 3.285 10 40 JGCB CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 67689688 OYQDVIXYWDENOO-RUZDIDTESA-N 494.592 3.087 10 40 JGCB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4c(C)cc(C)cc4C)C3)CC2)cc1 408555568 BBDLTYJIDMPGGA-JOCHJYFZSA-N 485.650 3.370 10 40 JGCB O=C1c2ccccc2C(=O)N1CCN1C(=O)[C@]2(NN=C(c3ccccc3)S2)c2ccccc21 409204537 IJVCWQZDPZTVHH-VWLOTQADSA-N 454.511 3.180 10 40 JGCB COc1ccc(OC)c(N2C(=O)/C(=C\c3cc4c5c(c3)CCCN5CCC4)C(=O)NC2=S)c1 9380298 FMZVGOKUNZMHDT-UYRXBGFRSA-N 463.559 3.234 10 40 JGCB COc1cc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)cc(OC)c1OC 2429313 SHJZBGWNHRNWNL-BOPFTXTBSA-N 480.589 3.116 10 40 JGCB COc1ccc(N2CCN(C(=O)c3cc4ccccc4nc3C3=NC(=O)[C@](C)(C(C)C)N3)CC2)cc1 13690360 OBSZEVFQBLEXSP-NDEPHWFRSA-N 485.588 3.497 10 40 JGCB Cc1cc(C(=O)OCC(=O)c2ccc(CCNS(C)(=O)=O)s2)c(C)n1-c1ccccc1 16755414 IGDBWQUUQKPBFS-UHFFFAOYSA-N 460.577 3.287 10 40 JGCB COc1cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1 49690420 COHHWSWIYWSIKN-FHSPRMHRSA-N 494.558 3.214 10 40 JGCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCc4cccnc4)c4ccccc34)[C@H]21 1616044727 VDSLPDZMOOPRQP-SANMLTNESA-N 451.530 3.500 10 40 JGCB CCOc1ccc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC 13125485 WMTGFTUSLWUTEV-PDGQHHTCSA-N 464.590 3.497 10 40 JGCB CCC[C@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(c2ccc(OC)cc2)CC1 13505399 GADLPXFDGNSMAG-HSZRJFAPSA-N 484.626 3.085 10 40 JGCB O=C(COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Br)Nc1ccc(Cl)cc1 409220194 ZBHYXTLIOLEMFY-UHFFFAOYSA-N 494.754 3.034 10 40 JGCB Cc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1 41077775 FQPRCAZVDFLGQO-FBIWUZAXSA-N 498.586 3.464 10 40 JGCB C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(Cc1cc(C(C)(C)C)ccc1O)CC2 643565513 HMBYLTJQLBIVSO-FQEVSTJZSA-N 473.658 3.483 10 40 JGCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccc(F)cc4)cc3)C(=O)N=C2S1 41084134 VLXYYXXMWKSDPR-VOVIPDMASA-N 486.506 3.056 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c(Br)cc1O 409168730 RXKAGPYDPJLPQV-XYOKQWHBSA-N 477.336 3.393 10 40 JGCB O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 8762881 UZMSHGBGCHVFDL-XGQJEWOZSA-N 461.908 3.172 10 40 JGCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1 408856282 QAEFOSKCVTWDCI-MDWZMJQESA-N 474.267 3.037 10 40 JGCB CNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)cc2)C1=O 2713201 LHYIHLDEMZENFN-AQTBWJFISA-N 466.588 3.497 10 40 JGCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(O)c(I)c1 409229896 VWDMVBKATOXVDD-JXMROGBWSA-N 484.702 3.482 10 40 JGCB CCCC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)SC1=S)C(=O)O 8870154 HKJJPWDMZWCKQP-VUODPORTSA-N 480.608 3.445 10 40 JGCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OC)=C(C)N=3)cc1 16700076 UXNMUZTUUUKWAU-LUDQZLGDSA-N 467.616 3.316 10 40 JGCB CC(=O)Nc1ccc(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 95927153 KTPDQLOMGCERNL-ODLFYWEKSA-N 469.544 3.005 10 40 JGCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 408791225 XJXDIHMCDGEACW-RUAJRXAUSA-N 494.519 3.377 10 40 JGCB O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)o1 409021264 ZRCKYABSQXBVAK-JLHYYAGUSA-N 452.319 3.254 10 40 JGCB O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1)N1CCOCC1 409344184 GCOXOUFHMCSEOH-UYRXBGFRSA-N 485.543 3.238 10 40 JGCB COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc(OC)c1OC 16901429 XOMCURVAPDYIIB-LSCVHKIXSA-N 488.543 3.281 10 40 JGCB CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccccc4)cc3)C(=N)N21 20207386 FUXFBNVBIOLNRS-YOUSBUAYSA-N 482.543 3.306 10 40 JGCB COc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)cc1OC 24101583 OMIIMLHTFDOKTL-CQSZACIVSA-N 480.608 3.354 10 40 JGCB O=C(COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccccc1 108188295 ZVLDXNVIZRHUEZ-ZHZULCJRSA-N 458.430 3.074 10 40 JGCB COc1ccc(N2CCN(C(=O)CSc3nc4cc(C)[nH]c4c(=O)n3-c3ccccc3)CC2)cc1 67236860 GDSSEDDGBSHYAA-UHFFFAOYSA-N 489.601 3.472 10 40 JGCB CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)cc1 225746664 DGGUKEIYBCQXIG-UHFFFAOYSA-N 479.046 3.052 10 40 JGCB CN1CCN(c2ccc(/C=C3\C(=O)N(c4cccc(Br)c4)C(=S)N=C3O)o2)CC1 12363129 RGVFYEVIFFEMKB-VBKFSLOCSA-N 475.368 3.466 10 40 JGCB COc1ccc(N2CCN(C(=O)Nc3snnc3C(=O)Nc3ccccc3OC)CC2)cc1 25183966 HCNYFSFXPQYDBT-UHFFFAOYSA-N 468.539 3.162 10 40 JGCB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C 9402797 NNLHEKXZUREESZ-UHFFFAOYSA-N 469.563 3.448 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCCOc1ccc(C)cc1 9659868 BUIOUKHGZKLVDN-UHFFFAOYSA-N 489.322 3.363 10 40 JGCB COc1ccc(C(=O)Nc2nc(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)cs2)cc1 15880977 SYVDITPIZCSMGE-UHFFFAOYSA-N 466.563 3.304 10 40 JGCB C=CCOc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 108034797 MSLDUOHJWQYOFD-GDNBJRDFSA-N 476.270 3.326 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1O 408881893 MXXMVMFIRIRASV-NTUHNPAUSA-N 492.269 3.289 10 40 JGCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1)Nc1ccccc1 409049518 WARVWLYXHWPZNC-KGENOOAVSA-N 457.442 3.076 10 40 JGCB CCOc1cc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc(I)c1O 993637 LWKQEGVFWDIYMI-OVCLIPMQSA-N 478.286 3.474 10 40 JGCB CCN(CC)c1ccc(/C=C2/C(=O)N=C(S)N(c3cc(OC)ccc3OC)C2=O)c(O)c1 1288572 RJQICGLRFVSXSK-BOPFTXTBSA-N 455.536 3.498 10 40 JGCB COCCCN1C(=O)/C(=C\c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 9374848 OUGQPSJGAFKNAQ-SUBKYJBBSA-N 472.636 3.415 10 40 JGCB CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1 27546701 SHGKVQFZXXJJKW-JCMHNJIXSA-N 478.530 3.108 10 40 JGCB O=C(COc1ccc(Br)cc1)NN1C(=O)/C(=C/c2ccccc2O)SC1=S 28628985 NQKWHTLCBMECKA-DHDCSXOGSA-N 465.350 3.466 10 40 JGCB O=C(c1cc2ccccc2c(CN2CCN(Cc3ccccc3F)CC2)c1O)N1CCOCC1 33034204 DYRZANXAEPMBGB-UHFFFAOYSA-N 463.553 3.475 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)C2=O)cc1 408854478 GLSPKKIXDYFONU-XNTDXEJSSA-N 460.284 3.317 10 40 JGCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSc2nnc(-c3ccco3)n2C)cc1 12640624 KQGJKKRCDZUSDY-LJQANCHMSA-N 455.584 3.441 10 40 JGCB COc1cc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)ccc1OCC(N)=O 85876851 MYCSXNDPBMMNKN-UHFFFAOYSA-N 478.461 3.156 10 40 JGCB biogenic COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1N1C(=O)CCC1=O 222551214 MCITYOTZENRCEF-QGZVFWFLSA-N 471.579 3.378 10 40 JGCB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)CN3C(=O)CSC3=S)C2)n1 257310960 UHIRBWAKFLAUCZ-OAHLLOKOSA-N 490.054 3.429 10 40 JGCB COc1cc(I)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 408870032 UNLYNKOSWCAORN-DHDCSXOGSA-N 464.284 3.131 10 40 JGCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)O)C2=O)cc1 3005432 JMYCAFSTHBQMFW-MHWRWJLKSA-N 473.279 3.141 10 40 JGCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N[C@H](CO)Cc3ccccc3)C2=O)cc1 10232928 LPKOVSBZYMACCU-SLOMDMAXSA-N 470.616 3.396 10 40 JGCB COc1ccc(N2CCN(C(=O)CCCN(c3cc(C)cc(C)c3)S(C)(=O)=O)CC2)cc1 225867600 TUOZCMJWVHUXMX-UHFFFAOYSA-N 459.612 3.207 10 40 JGCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\C(=O)NC(=S)N(c2cccc(Br)c2)C1=O 408741086 JZXDUAKSUJOGNN-PCJMVEANSA-N 483.347 3.162 10 40 JGCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2277663 AAYFBVCMIGADEC-MLJKTZRHSA-N 462.461 3.374 10 40 JGCB COCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 9411288 PXAZYCDKDNZZPM-AWJYWUTJSA-N 472.636 3.333 10 40 JGCB COc1ccc(N2CCN(C(=S)NC(=O)c3cc(Cl)ccc3OC)CC2)c([N+](=O)[O-])c1 14269025 OLPNHZXTYIBSPO-UHFFFAOYSA-N 464.931 3.102 10 40 JGCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NC1CC(C)(C)NC(C)(C)C1 20287312 YFSCDWMJMPLOES-ZHZULCJRSA-N 457.531 3.033 10 40 JGCB O=C(O)COc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 108241659 RAVOUKRWLFOAME-QPEQYQDCSA-N 451.660 3.027 10 40 JGCB O=C(COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccc(F)cc1 108997352 SONMGWPBDNZJBS-MOSHPQCFSA-N 476.420 3.213 10 40 JGCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)o1 409187753 BHNVGZAAPXQQAI-WOJGMQOQSA-N 476.466 3.483 10 40 JGCB COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(Br)cc1O 9323543 HGRZUIRABVPPKL-XGICHPGQSA-N 451.273 3.134 10 40 JGCB CN1C(=O)[C@]2(c3ccccc31)N(C)C[C@@H](c1ccccn1)[C@@]21SC(=S)N(Cc2ccco2)C1=O 35851648 BTTANWUSMTYSJK-WDNCENIBSA-N 490.610 3.375 10 40 JGCB CN1CCN([C@@H](CNC(=O)COc2ccc(Cl)cc2)c2ccc3c(c2)CCCN3C)CC1 22734727 GUANROYXWQRPOQ-DEOSSOPVSA-N 457.018 3.206 10 40 JGCB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)OC32C(=O)c3ccccc3C2=O)cc1OC 101145624 NGRYVPMDRVOYNT-DNVJHFABSA-N 483.476 3.399 10 40 JGCB COc1ccccc1NC(=O)[C@H](/N=N\c1cccc(S(=O)(=O)Nc2nncs2)c1)C(C)=O 104123850 CLUFLVVIKVLHIG-LBNMDVIHSA-N 474.524 3.028 10 40 JGCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(N2CCOCC2)cc1 223564280 HKQPWPKZXJNEPL-JWQCQUIFSA-N 477.634 3.291 10 40 JGCB O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Cl 408842661 BRGUQMARYSOJIF-AWNIVKPZSA-N 479.670 3.232 10 40 JGCB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(C(=O)O)c(O)c1 8819655 GGMMNBODULCFQO-NVMNQCDNSA-N 486.527 3.439 10 40 JGCB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1OC 9138398 OIHVPAJDEKOLSU-QHCPKHFHSA-N 480.609 3.368 10 40 JGCB O=C1N=C(N2CCN(C3=NC(=O)/C(=C\c4cccc(O)c4)S3)CC2)S/C1=C\c1cccc(O)c1 13372185 ZBURBIJDFRCTQV-LRVMPXQBSA-N 492.582 3.356 10 40 JGCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(NC[C@H]3CCCO3)nc12 33918744 FUIIZXQGBHLAHF-ZXMBATIKSA-N 458.609 3.451 10 40 JGCB COC(=O)C[C@H](c1cnn(C)c1C)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96220943 JZMMZYPAGLFJCV-CQSZACIVSA-N 450.447 3.314 10 40 JGCB biogenic COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1C 408692192 GTOGDLQCCQTVAM-WOJGMQOQSA-N 452.467 3.415 10 40 JGCB CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 408885093 XFVMUJYAKONQQN-LZYBPNLTSA-N 460.240 3.422 10 40 JGCB CCOc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 409409407 VBSGCTXNPFNFMX-ZROIWOOFSA-N 464.259 3.160 10 40 JGCB O=C(CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)N(CCO)Cc1ccccc1 27530518 WHPCFVGCLZGXGI-KGENOOAVSA-N 484.599 3.418 10 40 JGCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1O[C@@H](C)C(=O)O 33849999 MQGXPUXZWAPJFP-ZENNRRHLSA-N 475.295 3.161 10 40 JGCB CCOc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 408664890 PPWIDYGJXCVZTJ-ZRBLBEILSA-N 476.529 3.130 10 40 JGCB Cc1ccc(CN2C(=O)/C(=C/c3c(N4CCOCC4)nc4ccccn4c3=O)SC2=S)cc1 2671565 VADVGCSNGOMNEW-RGEXLXHISA-N 478.599 3.241 10 40 JGCB COc1ccccc1NS(=O)(=O)c1cccc(NS(=O)(=O)c2cccc3nsnc23)c1 19077502 XDZBSVFTGRHLKU-UHFFFAOYSA-N 476.561 3.302 10 40 JGCB C[C@]1(C(=O)O)N[C@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 103000869 KDZAPOPKRQNTCS-MFCZKXCZSA-N 479.714 3.102 10 40 JGCB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1/C=C/c1ccccc1 8809471 MEEHRTVMIGIUEV-JFSUZCLRSA-N 459.571 3.139 10 40 JGCB NC(=O)C1CCN(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)CC1 9421012 LFJBUJBQZIMXAM-BMRADRMJSA-N 455.646 3.481 10 40 JGCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1-c1ccc2c(c1)OCO2 35684485 WTZMVXNSMOLRRA-SANMLTNESA-N 473.485 3.235 10 40 JGCB COc1ccc(N2CCN(C(=O)c3ccccc3I)CC2)c([N+](=O)[O-])c1 108042239 RDPPDWGWYLLBEW-UHFFFAOYSA-N 467.263 3.170 10 40 JGCB O=C(O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 409045259 IHFIYMVVPXCOBM-RIYZIHGNSA-N 479.670 3.232 10 40 JGCB COc1ccc(N2CCN(C(=O)CN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@@H]34)CC2)cc1 524731003 GHSLGRPUYPKKLK-SANMLTNESA-N 482.540 3.159 10 40 JGCB biogenic COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1 886174 XQGIRIPJSJRQKF-BOPFTXTBSA-N 460.398 3.128 10 40 JGCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 1750300 NRNVVHFJHOAZGF-ZOAHYWAASA-N 473.395 3.179 10 40 JGCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1OC 8819384 NFMSFMQZVLOQOB-IUXPMGMMSA-N 475.504 3.158 10 40 JGCB O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NCCCN1CCOCC1 20356362 LPJNRCDQQFNWTI-OBGWFSINSA-N 468.044 3.160 10 40 JGCB CC1=C2[C@@H](CCS2(=O)=O)[C@@]2([S@@](=O)Cc3ccccc3)C(=O)c3ccccc3C(=O)[C@@H]2C1 195791251 VNNLTWNZHDGZPB-DJDVJBCNSA-N 454.569 3.482 10 40 JGCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)cc1 214290840 BYEQUWRECIGBFN-KGENOOAVSA-N 497.573 3.166 10 40 JGCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)cc2I)c1 408908358 BWNLDNDADTTXHD-OQLLNIDSSA-N 492.338 3.435 10 40 JGCB COc1ccc(N2CCN(C(=O)[C@H](C)N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CC2)cc1 3419675 AZIHPYZFIWTADJ-ZDUSSCGKSA-N 462.333 3.335 10 40 JGCB CCN(CC)CCOC(=O)c1ccc(N/C=C2\C(=O)N=C(S)N(C3CCCCC3)C2=O)cc1 9009293 VYZRBWQDLYXDAI-CAPFRKAQSA-N 472.611 3.468 10 40 JGCB CCOC(=O)Cc1csc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)n1 12558762 WQFDNXJLBVUKSP-UHFFFAOYSA-N 465.443 3.185 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)c(Br)c1O 408692834 WLBGPHFJYMWSEO-UXBLZVDNSA-N 488.132 3.330 10 40 JGCB CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OCC 408984495 RMRNRSKDRIXFPX-UYRXBGFRSA-N 466.490 3.256 10 40 JGCB Cc1cc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@H]3CCS(=O)(=O)C3)cc(=O)c2cc1C 27664619 XDQHIULISNYFDP-FQEVSTJZSA-N 468.575 3.305 10 40 JGCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cc([N+](=O)[O-])ccc1C 112295508 HYNAEMIFUAHLPU-MOSHPQCFSA-N 453.411 3.463 10 40 JGCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 408528196 DBAWQILEXVVYED-AQTBWJFISA-N 467.474 3.376 10 40 JGCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3cc(F)ccc3Br)cc2)C1 58246945 ZBLQANWWCSITOQ-HNNXBMFYSA-N 463.351 3.289 10 40 JGCB O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 408991719 OZHJPDNTSGJPCI-UHFFFAOYSA-N 487.500 3.178 10 40 JGCB CN1CCN([C@H](CNC(=O)COc2ccc(Cl)cc2)c2ccc3c(c2)CCCN3C)CC1 22734730 GUANROYXWQRPOQ-XMMPIXPASA-N 457.018 3.206 10 40 JGCB COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc([N+](=O)[O-])cc3)c3ccco3)CC2)cc1 56946183 JVFVQMOORDRCTM-QFIPXVFZSA-N 450.495 3.490 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCC(=O)O 409045134 FGDRJAMUOHCPHA-IZZDOVSWSA-N 465.245 3.132 10 40 JGCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC(C)C)cc3)C(=O)NC2=S)c1 409184745 MPMBZIPTPZUIMI-UDWIEESQSA-N 452.532 3.465 10 40 JGCB Cc1cccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1C 408671334 ZDLBOMQJKOGIBK-XJUOHMSHSA-N 460.530 3.348 10 40 JGCB COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Cl 408913114 SOVXABOQLCFQLO-WLRTZDKTSA-N 467.236 3.351 10 40 JGCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1 409189494 HCCXNBQNVAVPNT-BOPFTXTBSA-N 462.439 3.174 10 40 JGCB COc1ccccc1OCCn1cccc1/C=C1/C(=N)N2N=C(N3CCCC3)SC2=NC1=O 41085084 QTFWRIXNVIOUQC-RYJOCLKXSA-N 464.551 3.248 10 40 JGCB CN1C(=O)C(=Cc2ccc(-c3ccc(I)cc3)o2)C(=O)N(C)C1=S 59139247 UNNSPKRBQDNKOC-UHFFFAOYSA-N 452.273 3.150 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccccc4)c3)C2=O)cc1 409256427 ONWZPTBPBLAJBC-PXLXIMEGSA-N 471.469 3.379 10 40 JGCB CCCCOC(=O)c1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(F)cc32)cc1 49004036 NGSFXEXIMLMJCP-UHFFFAOYSA-N 488.537 3.408 10 40 JGCB COc1cc(/C=C2/SC(Nc3ccccc3)=NC2=O)ccc1OCC(=O)N1CCOCC1 207883090 BSNSXQCHYZMHDG-XSFVSMFZSA-N 453.520 3.015 10 40 JGCB COC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408767826 PGLBBAHIAPDLEV-OQLLNIDSSA-N 493.697 3.321 10 40 JGCB CC(C)C[C@H](C(=O)O)N1C(=O)C[C@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O 11859655 WVLJUXXGVUCSBV-ZRSOQINSSA-N 458.561 3.071 10 40 JGCB CC(C)N1C(=O)/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 13752172 HITHANKOPCUWQM-KMTKGMGQSA-N 466.588 3.450 10 40 JGCB COc1ccc(N2CN=C3S[C@@H](CC(=O)Nc4ccccc4)C(=O)N3C2)c(OC)c1Cl 72333001 VOKNCBSAWPJLHU-INIZCTEOSA-N 460.943 3.421 10 40 JGCB O=C(O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1Cl 408858432 PCMGTURXSOTLKJ-AWNIVKPZSA-N 451.287 3.288 10 40 JGCB CN1C(=O)NC(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 9259618 JKUVVJOQLRGRSJ-RIYZIHGNSA-N 460.240 3.028 10 40 JGCB CCN1C(=O)C(=CNCCSc2ncc(C(F)(F)F)cc2Cl)C(=O)N(CC)C1=S 19358627 FPIOCNNLSXTKGN-UHFFFAOYSA-N 466.938 3.315 10 40 JGCB COc1cc(Br)cc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)c1O 32099695 ROCSAKAXVUYFDF-MLPAPPSSSA-N 468.101 3.387 10 40 JGCB CCC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O 408529862 DHZKZTSJWBYGSX-IUSSRIDPSA-N 461.312 3.415 10 40 JGCB CCC(=O)NCCc1c(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)[nH]c2ccccc12 2422477 LWVAJCDZVGQSPO-JXAWBTAJSA-N 460.559 3.376 10 40 JGCB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1 3366068 BUCRFYUCWJTZMA-HNNXBMFYSA-N 459.499 3.065 10 40 JGCB CCC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)SC1=S)C(=O)O 8870152 RWCWZUNWASYZSS-IQGJIOQQSA-N 466.581 3.055 10 40 JGCB CCOCCCN1C(=O)/C(=C/c2c(NC[C@@H]3CCCO3)nc3c(C)cccn3c2=O)SC1=S 9018986 HRTNUQQPVLQELX-CQUHBBLWSA-N 488.635 3.222 10 40 JGCB CCOc1ccc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1OC 13639157 BVLARPITRQMIEZ-ATVHPVEESA-N 450.563 3.189 10 40 JGCB CCN(CC)c1nc2ccsc2c(=O)n1CCC(=O)N1CCN(c2ccc(OC)cc2)CC1 33308891 XZHHULBKVBAPRF-UHFFFAOYSA-N 469.611 3.052 10 40 JGCB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1 409002665 OZUDOBYTTFIMBA-XKZIYDEJSA-N 464.518 3.476 10 40 JGCB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc21 9518823 TWNQRQSAELVVFP-UHFFFAOYSA-N 476.577 3.050 10 40 JGCB COc1ccc(OC)c(S(=O)(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)c1 24101577 KVKUOSMBMXESBJ-HNNXBMFYSA-N 480.608 3.354 10 40 JGCB COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)OC(C)C 35362354 DRPSGCUSPZUTNS-LICLKQGHSA-N 489.322 3.250 10 40 JGCB Cc1cc(N(CCO)CCO)ccc1/N=N/c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 100496706 WXCOMJMKZJXOSQ-GHVJWSGMSA-N 476.433 3.403 10 40 JGCB O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2 100989307 RXBBADNPSHEPGM-FDFHNCONSA-N 467.433 3.110 10 40 JGCB COCCN1C(=O)/C(=C/c2cc(Br)c(O)c(OC)c2)C(=O)N(c2ccccc2)C1=O 409015723 RZKVVOZJMLLNAT-GDNBJRDFSA-N 475.295 3.189 10 40 JGCB CN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(O)c(Sc5ncn[nH]5)c4)ccc1c23 8870389 MAELQXYWZDHWNV-UHFFFAOYSA-N 453.505 3.206 10 40 JGCB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 9138060 LONVSVJPCLGHSG-DEOSSOPVSA-N 450.583 3.360 10 40 JGCB CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccc(F)cc3)N3CCCCC3)ccc21 9138137 CHDMPJLOJOSLCX-DEOSSOPVSA-N 452.574 3.168 10 40 JGCB Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CC(=O)O)C2=O)c1 9185493 XJZDYWPAYIFEPA-YBEGLDIGSA-N 467.528 3.389 10 40 JGCB CCOC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(C)C3=O)c2C)sc2c1CCCC2 9907488 KLJSOFSABVNDIP-LFIBNONCSA-N 471.604 3.468 10 40 JGCB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(c1cc(OC)c(OC)c(OC)c1)CO3 13593208 RMSOHFLPIDNXHX-UHFFFAOYSA-N 455.463 3.199 10 40 JGCB COCCN1C(=O)/C(=C\c2c(N3C[C@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 13645792 VBCSQZXFUHKFEY-GECXBNKPSA-N 472.636 3.333 10 40 JGCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cccn3-c3cccc(Cl)c3Cl)C(=N)N21 20211428 KDZUQYYINKVPMK-GSOGIWNDSA-N 468.347 3.405 10 40 JGCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)cc1 409243507 RTEVUGIZVUWJIO-FYJGNVAPSA-N 458.474 3.332 10 40 JGCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)o1 9667908 XPKBKUNDVONUIS-WOJGMQOQSA-N 476.466 3.483 10 40 JGCB O=C1/C(=C/c2c(N3CCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 16741254 RMMJMZZTJBESLI-UNOMPAQXSA-N 492.582 3.425 10 40 JGCB C[C@@H]1[C@@H](NC(=O)NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)CCC[C@H]1C 102405160 ZFDKEHUJQWYXOG-SIFCLUCFSA-N 462.502 3.269 10 40 JGCB COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)c2C)c([N+](=O)[O-])c1 223582634 CFCIOVYNZOHCEX-FGZHOGPDSA-N 467.551 3.371 10 40 JGCB COc1cc(/C=C2\C(=O)NN(c3ccc(Br)cc3)C2=O)cc(Br)c1O 993993 PMDHYOFDFSWQCD-WUXMJOGZSA-N 468.101 3.387 10 40 JGCB CCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S 2253430 IHVWPUSEUNEJDZ-CYVLTUHYSA-N 495.605 3.381 10 40 JGCB CCCC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S)C(=O)O 8870127 JQYBJZKKBASGCI-RFRKOGIWSA-N 466.581 3.055 10 40 JGCB CCOC(=O)N1CCN(C(=O)CN2C(=O)/C(=C\C(C)=C/c3ccccc3)SC2=S)CC1 32694374 OLMRSBXOGHBGMI-ODINJJDSSA-N 459.593 3.135 10 40 JGCB CCNc1nc(NCC)n2c(SCC(=O)Nc3cccc(OC(F)(F)F)c3)nnc2n1 32933202 XTHICQZBDWNLRB-UHFFFAOYSA-N 456.454 3.012 10 40 JGCB O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 38771637 JWSDNXKXULAXKS-UHFFFAOYSA-N 459.587 3.284 10 40 JGCB COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3cc(F)ccc3F)c3cccnc3)CC2)cc1 56896354 QWUXOLDCFBPRQK-QHCPKHFHSA-N 488.560 3.210 10 40 JGCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100754274 NLSHNWSUSLXCGU-NHLVTWMQSA-N 483.590 3.225 10 40 JGCB CCOc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1 408876383 ODTAYDUSGZHVEW-MHWRWJLKSA-N 462.243 3.356 10 40 JGCB CC(C)COc1c(Br)cc(C=C2C(=O)NC(=S)NC2=O)cc1Br 409044326 BGVVEUYFFONXQA-UHFFFAOYSA-N 462.163 3.161 10 40 JGCB O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1Br 409052801 ANAWXNCGASHDPC-YRNVUSSQSA-N 479.670 3.232 10 40 JGCB COc1ccc(N2CCN(C(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)CC2)cc1 16217022 CBKGPLGLVSNFSX-UHFFFAOYSA-N 493.629 3.277 10 40 JGCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1O[C@@H](C)C(=O)OC 33664944 LANRGVQORJAMFM-ATTDUZETSA-N 489.322 3.250 10 40 JGCB C[C@@H](Oc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1)c1ccccc1 41077802 AZBWZGUDPMXZSO-BNRLDLJDSA-N 454.533 3.448 10 40 JGCB Cc1ccc(C)c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 408662229 NRHYQJXNDCJZIR-FUDKSRODSA-N 460.530 3.348 10 40 JGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408867293 IDNGZVIBQBUXJC-FYJGNVAPSA-N 479.533 3.253 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 2155321 OSUOPXGQCONECB-FBHQFGEZSA-N 465.550 3.003 10 40 JGCB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCC1 9828390 VHEHCGLMPQRKCE-QHCPKHFHSA-N 450.583 3.278 10 40 JGCB CC(C)C[C@@H](C(=O)O)N1C(=O)C[C@@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O 11859654 WVLJUXXGVUCSBV-LFHCAGSDSA-N 458.561 3.071 10 40 JGCB Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)c1 20206350 QQOQLCJJYGGNNA-OXMFYWCOSA-N 455.565 3.332 10 40 JGCB CCc1ccccc1N1C(=O)/C(=C/c2cc(Br)c(N3CCOCC3)o2)C(=O)NC1=S 59248102 FPKOUHLIQKPAMB-RVDMUPIBSA-N 490.379 3.272 10 40 JGCB COc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1O 96222891 SWTLQCOHBMMJIT-LBPRGKRZSA-N 478.409 3.438 10 40 JGCB biogenic O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1 409049517 XIKMZPCRCTXQPY-DEDYPNTBSA-N 486.440 3.279 10 40 JGCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)c1C 409242894 WONBCIHIFDWKHY-UDWIEESQSA-N 458.474 3.251 10 40 JGCB COc1ccc(N2CCN(Cc3c(O)occ(CN4CCc5ccccc5C4)c3=O)CC2)cc1 101373019 UJNBBCRESGWSNQ-UHFFFAOYSA-N 461.562 3.235 10 40 JGCB CCc1ccccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408653641 ACWDTOBFXPORHW-XPNTWCBSSA-N 460.530 3.293 10 40 JGCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 409071867 QFUSXICNTBQAKV-DEDYPNTBSA-N 498.900 3.480 10 40 JGCB COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 10232851 SFPAANQKBZDLSG-LWLPBDFMSA-N 492.487 3.383 10 40 JGCB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 32956427 YULMNXNQZLXQCD-UHFFFAOYSA-N 453.539 3.330 10 40 JGCB Cc1ccccc1NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 409264526 KSICEUKYFZXOEI-STZFKDTASA-N 471.469 3.385 10 40 JGCB CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](C(=O)O)[C@@H](C)CC)C2=O)cc1OC 8870161 VDRXCWZQXSNGHN-NIXLBJMFSA-N 480.608 3.301 10 40 JGCB CCOc1ccc(-c2ccc(=O)n(CCC(=O)N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 41252747 QXIIBYBXQLVKFQ-UHFFFAOYSA-N 462.550 3.057 10 40 JGCB COc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1O 96222893 SWTLQCOHBMMJIT-GFCCVEGCSA-N 478.409 3.438 10 40 JGCB biogenic CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OC)C2=O)cc1 408805788 HPRCNAASFLKAIL-LFIBNONCSA-N 473.279 3.301 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 8435157 PYMBJAJLSSHUPW-FGGAIWKESA-N 465.550 3.003 10 40 JGCB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccc(N(C)C)cc1 9262383 IRSLNKGLUALEAZ-FCHUYYIVSA-N 450.539 3.254 10 40 JGCB COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(c2ccc(OC)cc2)[C@@H](C)C1 13758889 SGUCUMIGUKCPMT-KRWDZBQOSA-N 450.539 3.421 10 40 JGCB COc1ccc(N2CCN(c3ncc(S(=O)(=O)c4ccc(C(C)C)cc4)c(N)n3)CC2)cc1 33301980 WNFJYTIPDIWSBJ-UHFFFAOYSA-N 467.595 3.350 10 40 JGCB CC(C)NS(=O)(=O)c1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 58113632 KHVRCLPGQYOXMS-QFIPXVFZSA-N 459.612 3.261 10 40 JGCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OCC(=O)OC 59136166 WUBQMJIXIBQDRK-GXDHUFHOSA-N 458.467 3.448 10 40 JGCB COc1ccc(N2CCN(C(=O)Cn3cccc3-c3nc(-c4ccc5c(c4)OCO5)no3)CC2)cc1 67208020 MSIUVMSVSGXBLK-UHFFFAOYSA-N 487.516 3.291 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408914555 QQHBAGULVMURCK-VGOFMYFVSA-N 461.883 3.092 10 40 JGCB COc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)S(=O)(=O)c2cccc3nonc23)cc1 9348000 MCDJCOSEHSBUNK-UHFFFAOYSA-N 492.513 3.477 10 40 JGCB O=C(O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 34688676 VIPPWSWZEVDLDA-SDQBBNPISA-N 451.660 3.027 10 40 JGCB COc1ccccc1NC(=O)[C@@H](/N=N\c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)C(C)=O 104124236 MAIDSLDCLFVCHE-MGNQFDOESA-N 482.522 3.274 10 40 JGCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)nnc2n1 3221421 XQZSXTWUYJMKSA-UHFFFAOYSA-N 456.454 3.012 10 40 JGCB COc1ccc(N2CCN(CCCNS(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1 12527597 DMLUVISTBAIJCE-UHFFFAOYSA-N 458.411 3.493 10 40 JGCB CCN(CC)c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)c(OC)c1 409228746 DMVNYLCAMOAVIO-CPNJWEJPSA-N 452.511 3.081 10 40 JGCB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c(C)c1 8799178 BFIAMMTXNYJVAN-DEOSSOPVSA-N 470.639 3.451 10 40 JGCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)cc1 9663268 XSJRLDFOUHQRGS-UHFFFAOYSA-N 496.585 3.463 10 40 JGCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C 223583649 KCNXYADOBVKEIP-YADHBBJMSA-N 467.551 3.371 10 40 JGCB CC1CCN(c2ccc([C@H](C)NS(=O)(=O)c3nnc(NC(=O)C(C)C)s3)cc2)CC1 225219953 GIFYLVLVXPFQPX-HNNXBMFYSA-N 451.618 3.408 10 40 JGCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 9310000 MLHAUFHHASTRJO-MFOYZWKCSA-N 474.385 3.177 10 40 JGCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1O 223142147 RAMRJEJYAURZSD-RPBOFIJWSA-N 477.634 3.499 10 40 JGCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1 408777240 XAIABLNBKSFGPD-QRVIBDJDSA-N 487.512 3.243 10 40 JGCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NCCCN2CCOCC2)cc1 20064178 CFZZBOILTRZFEH-CLCOLTQESA-N 464.566 3.041 10 40 JGCB COc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100779007 WSYVCAZLQKSAFH-FDFHNCONSA-N 453.450 3.390 10 40 JGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)C1=O 408849553 XGCPOBOUYVGIPU-UDWIEESQSA-N 487.468 3.465 10 40 JGCB COc1cccc(C(=O)Oc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cccc2[N+](=O)[O-])c1 108925676 WTYAEEZPSBPBET-RGEXLXHISA-N 459.414 3.284 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 408725417 IHFGZLISJRTMHT-GOOXQAOHSA-N 491.613 3.263 10 40 JGCB Cc1cc(C(=O)COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1 3365438 MCPUXDHFAQRCST-UHFFFAOYSA-N 456.476 3.446 10 40 JGCB CCN(CC)c1ccc([C@@H]2N(C(=O)N3CCOCC3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 8671543 BNTHZLHXWLVFTK-XMMPIXPASA-N 486.638 3.299 10 40 JGCB CC(/C=C1\SC(=S)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O)=C\c1ccccc1 16805952 SXOOCDFTZDZABM-UJUKKVGJSA-N 473.601 3.120 10 40 JGCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cn(CCOc4ccccc4)c4ccccc34)C(=N)N21 20205678 HSOCOYJYHSIEJA-PCHQCWAOSA-N 493.570 3.342 10 40 JGCB O=C1[C@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2 100173878 WBJXADDPQYIAFJ-FSSWDIPSSA-N 485.423 3.250 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 6154234 OSUOPXGQCONECB-FGGAIWKESA-N 465.550 3.003 10 40 JGCB Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)c(C)c1 20206346 IQCUHKQKKLLVDQ-OXMFYWCOSA-N 455.565 3.332 10 40 JGCB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S 28296916 NRJVMELJAQVZJU-LDADJPATSA-N 453.545 3.371 10 40 JGCB Cc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 41077702 ZYDKKBWBXFPGNP-IAYHVCARSA-N 461.956 3.369 10 40 JGCB O=C(C1=CN(c2ccc(C(F)(F)F)cc2)c2cc(F)ccc2S1(=O)=O)N1CCOCC1 49004048 MGSODAHNAGTDBG-UHFFFAOYSA-N 456.417 3.470 10 40 JGCB COc1ccc(N2CCN(CC(=O)NC(c3ccccc3)c3ccccc3)[C@@H](C(=O)N(C)C)C2)cc1 257314214 UVVNHJTVEFVMBV-AREMUKBSSA-N 486.616 3.180 10 40 JGCB COc1cc(I)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 408870207 VVCWVFILHFZNJF-JYRVWZFOSA-N 466.206 3.105 10 40 JGCB CN(CCc1ccccn1)S(=O)(=O)CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 604418473 SNTNNFPOGDKFDN-UHFFFAOYSA-N 473.554 3.112 10 40 JGCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 17281759 MVDZMKXNLFGGPH-RGEXLXHISA-N 488.953 3.093 10 40 JGCB N=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 41084516 AQPIQYSSTVICKT-RYEIUNSYSA-N 492.517 3.083 10 40 JGCB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)CN3C(=O)CSC3=S)C2)n1 257310959 UHIRBWAKFLAUCZ-HNNXBMFYSA-N 490.054 3.429 10 40 JGCB Cc1ccc(N2C(=O)N(CC(=O)c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)C(=O)[C@H]2C)cc1 9367755 YGDSJSNSIQFEQA-GOSISDBHSA-N 494.573 3.090 10 40 JGCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSc2nnnn2-c2cccc(F)c2)cc1 12640146 UWDNMJFJHNLJBO-NRFANRHFSA-N 470.574 3.167 10 40 JGCB O=C(CSc1nc2ccccc2c(=O)n1CCCO)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 21282016 ZCPPNXVNENOBOX-UHFFFAOYSA-N 499.548 3.285 10 40 JGCB COc1ccc(S(=O)(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(C)cc2O)cc1 26786880 RVGMVTYWNHZJTG-UHFFFAOYSA-N 478.504 3.251 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1O 33351013 VYSRSBVGMXHZRH-XFFZJAGNSA-N 468.101 3.387 10 40 JGCB COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9165156 GODQLYGSKMRCEF-QHCPKHFHSA-N 450.583 3.360 10 40 JGCB Cc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1 41077743 SASKCSVZXIIOPC-JJEZRMFNSA-N 484.559 3.074 10 40 JGCB O=C1N[C@H](c2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c([N+](=O)[O-])c2)Oc2ccccc21 59488826 BMZZSJVCNPEXGG-SANMLTNESA-N 488.500 3.467 10 40 JGCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\NC(=O)Nc3ccc(Br)cc3)C2=O)c1 408527161 FECDEBOVMYLSMO-XNTDXEJSSA-N 457.284 3.354 10 40 JGCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 408904829 PFAGMAKXTKSKGY-UHFFFAOYSA-N 487.965 3.273 10 40 JGCB COc1ccc(N(CCC(N)=O)CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)cc1 27387176 DTFQSRANVXDHJZ-IBGZPJMESA-N 452.536 3.409 10 40 JGCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2CCCC2)cc(N2CCOCC2)n1 225951492 DJTAOPRKRURANL-UHFFFAOYSA-N 467.643 3.000 10 40 JGCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccccc2)c1 409064383 CSCZUCCSJDTLNU-ZHZULCJRSA-N 493.453 3.029 10 40 JGCB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O 409357020 IEZQILJTVCUUQY-XSFVSMFZSA-N 453.520 3.207 10 40 JGCB COc1ccc(N2CCN(C(=O)CSc3ncnc4c3cnn4-c3ccc(OC)cc3)CC2)cc1 1346590 QONFECBDIHDYOK-UHFFFAOYSA-N 490.589 3.274 10 40 JGCB O=C1N=C(N2CCN(C3=NC(=O)/C(=C/c4ccc(O)cc4)S3)CC2)S/C1=C\c1ccc(O)cc1 2869876 WUHXRNHEAQBIAR-AXPXABNXSA-N 492.582 3.356 10 40 JGCB O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)c1cccc2c1C(=O)c1ccccc1C2=O 96991086 NZKPZOLDUQZGSC-DEDYPNTBSA-N 483.505 3.323 10 40 JGCB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O 205757144 BGIJRTWSSLRBGY-LZYBPNLTSA-N 459.432 3.331 10 40 JGCB COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)N1CCOCC1 409211138 MYKWAHHHMIIMQT-DEDYPNTBSA-N 488.562 3.478 10 40 JGCB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 101213471 RZEDWAPLUVAYTG-YPAWHYETSA-N 498.447 3.299 10 40 JGCB CCN(CC)c1ccc(CNC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 222830852 ZYQVPYFOKICOAS-NRFANRHFSA-N 466.003 3.420 10 40 JGCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC(C)C)cc3)C(=O)NC2=S)cc1 409186369 BASSPXQMYBZRAU-DEDYPNTBSA-N 452.532 3.411 10 40 JGCB Cc1c(CC(=O)N2CCCC3=C[C@@H]4C[C@@H](CN5CCCC[C@H]45)[C@@H]32)c(=O)oc2c(O)c(O)ccc12 8765130 RIUHVCNJKHMQAL-YVXPOVKHSA-N 464.562 3.477 10 40 JGCB CCOC(=O)CC1(C2(CC(=O)OCC)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O 1277320 GOUTVNJXACKRJX-UHFFFAOYSA-N 462.454 3.024 10 40 JGCB O=C(O)CN1C(=O)/C(=C2\SC(Nc3ccc(Br)cc3)=NC2=O)c2ccccc21 8871982 SGSAMMXGFAEDLN-NXVVXOECSA-N 458.293 3.333 10 40 JGCB CC(=O)[C@H](/N=N/c1ccc(S(=O)(=O)N[C@H]2ON[C@@H](C)[C@@H]2C)cc1)C(=O)Nc1ccc(Cl)cc1 104124170 LUVAOLFDOPQHAJ-YZPJLXKOSA-N 493.973 3.184 10 40 JGCB Cc1cc(C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)c(C)n1-c1ccccc1 22886192 RSBAJMFVXNYTLN-UHFFFAOYSA-N 471.604 3.485 10 40 JGCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(OC)c4)c3C)C(=O)N=C2S1 41083818 NPAHJRVWIPMIDN-GLNJVZSPSA-N 471.564 3.114 10 40 JGCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1O 223142276 RAMRJEJYAURZSD-DQEYMECFSA-N 477.634 3.499 10 40 JGCB O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br 409046116 ITWMICGSOLRELP-AWNIVKPZSA-N 479.670 3.232 10 40 JGCB O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)Nc1ccccc1 409261011 ZTTGHZXBSRAGPT-STZFKDTASA-N 486.440 3.279 10 40 JGCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ncc(C(F)(F)F)cc3Cl)nnc2n1 3277295 VSICPKIFLFJOAP-UHFFFAOYSA-N 475.888 3.181 10 40 JGCB Cc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1 10113314 CLNMEJGBFVBZAT-UHFFFAOYSA-N 479.602 3.343 10 40 JGCB COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(F)cc3)c3cccnc3)CC2)cc1 56896361 KEICSSLKPVZVKA-DEOSSOPVSA-N 470.570 3.071 10 40 JGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/NCCN/C=C1/C(=O)N(c2ccc(C)cc2)N=C1C 95471019 IWWFICQZXNZIKO-DFEHQXHXSA-N 456.550 3.396 10 40 JGCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 16042887 NLSHNWSUSLXCGU-HVAXUPDISA-N 483.590 3.225 10 40 JGCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1C 223583752 KCNXYADOBVKEIP-VXKWHMMOSA-N 467.551 3.371 10 40 JGCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 409183540 CVLBKNPDHGECLW-YBFXNURJSA-N 478.954 3.493 10 40 JGCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)o1 409189680 MVSFQJXAPOVGMU-WOJGMQOQSA-N 476.466 3.483 10 40 JGCB COc1ccc2c3c(n(C[C@@H](O)COCc4ccco4)c(=O)c2c1OC)-c1ccccc1C3=O 604406181 XZSJNRDRTLIAHY-OAHLLOKOSA-N 461.470 3.401 10 40 JGCB biogenic O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 13613405 IZBOFHLGKZVTRU-UHFFFAOYSA-N 478.014 3.281 10 40 JGCB CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc(Cl)cc3)N3CCCCC3)ccc21 23857998 OBUAYVKJQSCBJT-HSZRJFAPSA-N 455.002 3.292 10 40 JGCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 408770950 CROGGNVJTVHYTA-PZLPMSIKSA-N 476.529 3.238 10 40 JGCB Cc1ccccc1-n1c(C)cc(C(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c1C 16695761 SLSDAZUQEVNKLN-HXUWFJFHSA-N 460.596 3.231 10 40 JGCB O=C1N=C(O)/C(=C/NCCCN2CCCCC2)C(=O)N1c1ccc(I)cc1 103122300 POOXLLRNYKNUEP-SSZFMOIBSA-N 482.322 3.064 10 40 JGCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(O)cc1 223142536 JLKXNUNNQMPEDV-DQEYMECFSA-N 477.634 3.499 10 40 JGCB Cc1c(C(=O)Nn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)[n+](=O)c2ccccc2n1O 1547200971 QEPUBWAPJMIQGJ-UHFFFAOYSA-O 465.445 3.012 10 40 JGCB CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 22735325 BSNSWVCGDUCDIO-SANMLTNESA-N 477.653 3.236 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCC(=O)Nc1ccccc1 34735516 SCDOAELIFCQHNO-MOSHPQCFSA-N 473.485 3.183 10 40 JGCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 2079950 YJEXYMNKOXLNAW-BKUYFWCQSA-N 489.484 3.000 10 40 JGCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc3c(c1)OCO3)[C@H](c1ccc(F)cc1)OC21C(=O)c2ccccc2C1=O 9210228 WBJXADDPQYIAFJ-VSKRKVRLSA-N 485.423 3.250 10 40 JGCB CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)s1 225277023 ILQJJZFERCRFEA-CABCVRRESA-N 451.618 3.408 10 40 JGCB CSCC[C@@H](CO)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1616044801 WXBCMXXQQGTNOR-GKVSMKOHSA-N 478.618 3.018 10 40 JGCB O=[N+]([O-])c1ccc(/N=N/c2ccc(O)c3c(O)cc(S(=O)(=O)O)cc23)cc1S(=O)(=O)O 4409142 CPRQPOGKOSXTEW-ISLYRVAYSA-N 469.409 3.068 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccccc1 8780955 ZGWKNQQXDCFJFI-DLBLZJNESA-N 491.613 3.350 10 40 JGCB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CC(=O)O)C(=O)O)C3=O)o2)cc1 8819001 UTFMGRSJEXQACB-FSEGOYHTSA-N 475.500 3.252 10 40 JGCB CCOc1cccc(N2C(=O)/C(=C\c3cn(CC(=O)OC)c4ccccc34)C(=O)NC2=S)c1 9311379 RFDCLXPXCCDIHW-ODLFYWEKSA-N 463.515 3.044 10 40 JGCB COc1ccc(N2CCN(C(=O)CN[C@H](c3ccc4c(c3)OCCCO4)C(C)C)CC2)cc1 12556007 IKGWENYRDCXKOS-SANMLTNESA-N 453.583 3.492 10 40 JGCB COc1ccc(N2CCN(C(=O)CCn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)CC2)cc1 67262409 OJCFUFAQOPSRII-UHFFFAOYSA-N 475.524 3.050 10 40 JGCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4)c3)C2=O)cc1 409264243 PZALDFJHBLVPRO-JCMHNJIXSA-N 499.479 3.157 10 40 JGCB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(/N=N\c4ccccc4)cc3)C(=O)[C@H]12 409288162 DJOOOCAQRKAKGN-GTUYIGHISA-N 475.457 3.367 10 40 JGCB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)N3CCCC3)ccc21 8964119 ZSUOLJZARAALNN-OAQYLSRUSA-N 476.499 3.469 10 40 JGCB COc1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1S(=O)(=O)N1CCOCC1 9493985 LYRDOJQUZQRTGB-UHFFFAOYSA-N 469.563 3.376 10 40 JGCB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C 9664987 INFSMBNNGMBXAG-UHFFFAOYSA-N 485.562 3.149 10 40 JGCB COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 20205462 YQOGBNBFTBQUOH-QBILMKHKSA-N 488.572 3.403 10 40 JGCB CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1C 20206383 YDMWUKWPBXMYMV-AXPJIBDUSA-N 471.564 3.114 10 40 JGCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 224048620 HUELLDMOCYPINN-UHFFFAOYSA-N 453.992 3.277 10 40 JGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C1=O 409243911 YWKPEKGANSWCKR-XSFVSMFZSA-N 472.501 3.258 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 2120554 HNZDWCVEUJTHDX-FVIVVMBBSA-N 491.613 3.263 10 40 JGCB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)CC2)cc1 20110205 XZBCFCDWJQGSRT-HSZRJFAPSA-N 485.650 3.018 10 40 JGCB CN1C[C@@H](c2ccccn2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccc(F)cc12 33821647 XEDGYKMVHBXKDM-DPSWKAHMSA-N 494.573 3.490 10 40 JGCB CC(C)OC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 35104109 BWNCQDQBKPCHHL-NVNXTCNLSA-N 459.842 3.040 10 40 JGCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1O[C@@H](C)C(=O)OCC 108204729 YKNPXXRMIUDQLW-IEOAWGNMSA-N 450.491 3.216 10 40 JGCB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)o1 409195273 SXOLOYXMQXMTSZ-GZTJUZNOSA-N 493.453 3.393 10 40 JGCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1OCC 409236429 GBONMZITODLHPD-RIYZIHGNSA-N 460.284 3.308 10 40 JGCB O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 8762880 UZMSHGBGCHVFDL-JEKGVLRUSA-N 461.908 3.172 10 40 JGCB CN(C)c1ccc(CN(C(=O)COc2ccc(Br)cc2)[C@H]2CCS(=O)(=O)C2)cc1 4313067 XAQIUCRPNBNEKR-IBGZPJMESA-N 481.412 3.110 10 40 JGCB CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 9165371 JKGHFDLMGIXGIY-VWLOTQADSA-N 477.609 3.309 10 40 JGCB CCOc1cccc(N2C(=O)/C(=C\c3cccn3-c3cccc(C(=O)O)c3)C(=O)NC2=S)c1 9263196 PBUJGKIUFUWCAH-ZHZULCJRSA-N 461.499 3.406 10 40 JGCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OC 408865436 ARKDUVKRPCYYLA-JYRVWZFOSA-N 494.310 3.140 10 40 JGCB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)o1 408946787 AZXUIFQDPQMWMU-MHWRWJLKSA-N 477.385 3.259 10 40 JGCB CCn1c(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)nnc1N1CCOCC1 9209119 GLVBDPOVUAAZHD-UHFFFAOYSA-N 469.567 3.246 10 40 JGCB Cc1cc(-c2csc(NC(=O)CCn3[nH]c(=O)ccc3=O)n2)c(C)n1-c1ccc(F)cc1 9223274 JTBMNCDHEZMHGY-UHFFFAOYSA-N 453.499 3.236 10 40 JGCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)cc1 20608655 NWXFRAPXBQHRPB-ODFZLOHPSA-N 461.587 3.254 10 40 JGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)cc(I)c1O 408964467 HCACBWNVZRLOMN-WUXMJOGZSA-N 486.624 3.456 10 40 JGCB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1 409091050 SMUILPXNGODTFQ-ZHZULCJRSA-N 453.520 3.207 10 40 JGCB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2nnc(CC)s2)N[C@H]1c1ccc(N(C)C)cc1 409337173 RGOVCAZVRSZXDY-IBGZPJMESA-N 488.639 3.376 10 40 JGCB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c1C 16695749 MEYROOGYIQFWAN-SFHVURJKSA-N 494.997 3.091 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCC(=O)Nc1cccc(F)c1 33637262 JITSANQUOFFJEQ-JAIQZWGSSA-N 491.475 3.322 10 40 JGCB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 223145199 QSCUDAPMLVQYCX-MOPGFXCFSA-N 459.612 3.429 10 40 JGCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1O 408754199 IWWHQMGTDQABKD-ZSOIEALJSA-N 477.336 3.393 10 40 JGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)C2=O)cc1C 408967527 TWCYZCMGMVZSFF-LPYMAVHISA-N 492.557 3.025 10 40 JGCB CN(C)CCN/C=C1/C(=O)N(c2ccccc2)C(=S)N(c2ccc(Br)cc2)C1=O 2378020 LDZVHPQACAFGCK-JXAWBTAJSA-N 473.396 3.149 10 40 JGCB N=C(N)NS(=O)(=O)c1ccc(/N=N\C2=C(O)[C@@H](c3ccccc3)N(c3ccccc3)C2=O)cc1 104269473 VWKNBEKNYXHRPX-KABLAESSSA-N 476.518 3.500 10 40 JGCB COCCN1C(=O)/C(=C/c2cn(CC(=O)NCc3ccco3)c3ccccc23)SC1=S 409128888 JGZFKAVOUOYNQY-ODLFYWEKSA-N 455.561 3.398 10 40 JGCB O=C(NN1C(=O)/C(=C/c2ccc(I)o2)SC1=S)c1cccs1 409342817 FMQMHORHNHISCF-TWGQIWQCSA-N 462.315 3.492 10 40 JGCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1O 1203896 JUQBIMCKNILWKA-SDQBBNPISA-N 451.660 3.483 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)c2C)cc1 2664896 CFGROUDXPQXTAZ-DVECYGJZSA-N 470.547 3.061 10 40 JGCB CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 8036059 NGTFSTOWJQOHNB-SRCYTUNASA-N 467.541 3.444 10 40 JGCB CN(C)CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 8820216 NIPNOZYUOLJNHN-SFQUDFHCSA-N 475.617 3.306 10 40 JGCB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2c(O)c(Cl)cc(Cl)c2O)CC1 12852501 AIFLHTXLNORYAQ-UHFFFAOYSA-N 489.377 3.072 10 40 JGCB O=C1Nc2ccc(Br)cc2/C1=C1\SC(=S)N(NC(=O)c2ccccc2)C1=O 13372183 XEMWSHZOHYPKRM-BUHFOSPRSA-N 460.334 3.318 10 40 JGCB Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)cc2)cc1 41084494 GKHRVSKSQVHWHR-CSQJVAFZSA-N 491.573 3.362 10 40 JGCB CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCCN4Cc4ccc(N(C)C)cc4)n3)ccn2)CC1 49154947 BIMUWIWZDAWKPR-QHCPKHFHSA-N 475.597 3.203 10 40 JGCB biogenic,in-vitro O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(C(=O)O)cc2)c1 409071722 IAIPQUARFOXVFI-BKUYFWCQSA-N 458.426 3.336 10 40 JGCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(C(=O)O)c3)C2=O)cc1OCC 409201543 MEWSOVOOUHBODB-SFQUDFHCSA-N 468.462 3.247 10 40 JGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(OC)c(N3CCCC3)cc2OC)C1=O 409231807 KVAVQCUFWRLSHY-GHRIWEEISA-N 465.506 3.369 10 40 JGCB COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1cccc(C)c1 41077810 IXMFUMMESNSUJO-HRIUQOHOSA-N 484.559 3.204 10 40 JGCB COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br 408856684 JRPPUYGLKBSBAP-YRNVUSSQSA-N 465.300 3.437 10 40 JGCB COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OC 408859578 YIGKRYWPCSCYDE-YRNVUSSQSA-N 465.300 3.437 10 40 JGCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O 409043127 PYROSFSOHGZOSQ-WUXMJOGZSA-N 482.084 3.289 10 40 JGCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 409094326 DKJMKUYJGUSGAY-WQRHYEAKSA-N 484.940 3.489 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCCC4)cc3OC)C2=O)c(OC)c1 409249119 JNRHRDIQBJKSNJ-CPNJWEJPSA-N 465.506 3.369 10 40 JGCB COCCN1C(=O)/C(=C/c2c(Oc3ccccc3OC)nc3ccccn3c2=O)SC1=S 2398258 PNXSOEJWIQIXAZ-LGMDPLHJSA-N 469.544 3.343 10 40 JGCB CCOc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCC(=O)Nc1ccccc1OC 409010855 FQLKNGKZHGAKMP-UHFFFAOYSA-N 455.463 3.331 10 40 JGCB O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c2ccccc21)Nc1ccc(F)cc1 409243798 ULXDDVDQDSKRJP-CIAFOILYSA-N 483.459 3.481 10 40 JGCB N=C1/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 41084523 RUKUKEVSEWDTMC-IVTJCWFQSA-N 465.510 3.314 10 40 JGCB COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C 223599511 XUZABEKWQQEZMJ-YADHBBJMSA-N 450.564 3.241 10 40 JGCB COc1ccc(N2CCN(Cc3ccccc3OCc3ccccn3)[C@@H](C(=O)N(C)C)C2)cc1 257289014 PWQGVCDFMXNNCD-RUZDIDTESA-N 460.578 3.448 10 40 JGCB Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)c1 408655435 CYBVCQCGRJFZTK-FUDKSRODSA-N 460.530 3.348 10 40 JGCB COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 10232852 SFPAANQKBZDLSG-WPBJZHHJSA-N 492.487 3.383 10 40 JGCB COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@@](Cc4ccccc4)(c4ccccc4)C3=O)CC2)cc1 12553904 YGNNLJGGUMDBBQ-LJAQVGFWSA-N 498.583 3.034 10 40 JGCB CC(C)C[C@H](C(=O)O)N1C(=O)C[C@@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O 19879862 WVLJUXXGVUCSBV-LVLGWPDXSA-N 458.561 3.071 10 40 JGCB C[C@@H]1CCC[C@H](NC(=O)Cn2c(=O)/c(=C/c3ccc(N(C)C)cc3)s/c2=C/C(=O)C(C)(C)C)[C@@H]1C 97993934 XTUCJUIMBLKLHX-GHXBSVAGSA-N 497.705 3.141 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)c2C)cc1 223599743 LRTKRBCDSKYJCP-YADHBBJMSA-N 450.564 3.241 10 40 JGCB CCOC(=O)c1sc(N/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C(=O)OCC)c1C 408533597 OMUJZOBGMJETBT-SDNWHVSQSA-N 485.518 3.297 10 40 JGCB Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1NC(=O)c1ccccc1 409201964 PHBIQXONEUQQQA-BKUYFWCQSA-N 475.480 3.159 10 40 JGCB CCOc1cccc([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)c1O 15240803 OJTGKXVLSPYBII-JYEBCORGSA-N 466.534 3.106 10 40 JGCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccc5c(c4)OCO5)cc3)C(=O)N=C2S1 41084101 FWHULZOVWJOXMG-NJOZZACWSA-N 498.542 3.006 10 40 JGCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/NC1CCN(Cc2ccccc2)CC1 100789244 CJBVUQFYHDHPGW-NBVRZTHBSA-N 454.983 3.226 10 40 JGCB CCOc1cc(OCC)c(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1Br 409237010 UNQFTBDHWRBMCJ-RIYZIHGNSA-N 460.284 3.308 10 40 JGCB [N-]=[N+]=NCCOCCOCCOC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 585662072 YTHKPQSMRZQREU-JOCHJYFZSA-N 484.509 3.338 10 40 JGCB COc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)c4ccc(OC)c(OC)c4)n3)CC2)cc1 9573723 RXZZSVHDKNUNQJ-UHFFFAOYSA-N 496.589 3.313 10 40 JGCB O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc2c(c1)OCCO2 101057614 OXUBLTFTGOCNQR-VJBWXMMDSA-N 481.460 3.153 10 40 JGCB CC(=O)[C@@H](/N=N/c1ccc(S(=O)(=O)Nc2nncs2)cc1)C(=O)Nc1ccccc1C 104123630 ZIKAYCNSRMNLHB-DUPNKOKHSA-N 458.525 3.327 10 40 JGCB COc1ccccc1/N=N\c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O 104180685 NOUFHLBWVZSVLG-VXPUYCOJSA-N 453.454 3.045 10 40 JGCB CC1CCN(C(=O)Cn2cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)CC1 409145653 PDUUBJVVACXEDG-FYJGNVAPSA-N 474.517 3.155 10 40 JGCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)N(CCO)Cc3ccccc3)C2=O)cc1 8819595 UDDKPGAQXCCQHT-PGMHBOJBSA-N 498.626 3.476 10 40 JGCB Cc1cc(C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 9250595 LTNTWZCYJFEYLL-UHFFFAOYSA-N 466.321 3.457 10 40 JGCB COc1ccc(N2CCN(C(=S)NC(=O)c3cccc(Br)c3)CC2)c([N+](=O)[O-])c1 14273720 RWVJNVRXCCXRQP-UHFFFAOYSA-N 479.356 3.203 10 40 JGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 16135079 KMNDENSEFIJAOG-UHFFFAOYSA-N 485.631 3.335 10 40 JGCB COc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c([N+](=O)[O-])c1 408535932 UTJOEPWAVQTXDQ-UKTHLTGXSA-N 475.255 3.253 10 40 JGCB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccc(N(C)C)cc1 9262378 IRSLNKGLUALEAZ-YADHBBJMSA-N 450.539 3.254 10 40 JGCB O=C1[C@@H]2[C@@H](c3ccccc3O)N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@H]2C(=O)N1c1ccccc1 13571677 WQBAYKGKHMVHQK-KVOKEACQSA-N 481.508 3.390 10 40 JGCB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2C(C)(C)CO[C@@H]3c2ccc(O)c(O)c2)cc1 13572529 FDSOJRUZIBIRLY-HSZRJFAPSA-N 461.518 3.280 10 40 JGCB O=C(Cn1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c2ccccc21)N1CCOCC1 59109529 ORWMODIFUIPABD-XSFVSMFZSA-N 464.522 3.135 10 40 JGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(O)cc1O 59426698 DYTFCRPTEFHBNP-VZUCSPMQSA-N 484.633 3.022 10 40 JGCB CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\N1C(=O)/C(=C/c2cccc(O)c2)SC1=S 104303714 AVOVUJKJWVMOFW-LTSGFECQSA-N 479.539 3.443 10 40 JGCB Cc1ccc(O)c(CN2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCN(C)CC3)C2)c1 257296264 RBZZRUMUEGCUHZ-AREMUKBSSA-N 488.028 3.168 10 40 JGCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)cc1OC 408802444 FDDASHOFUJHQRY-QGOAFFKASA-N 452.463 3.327 10 40 JGCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)c3cccn3C)c2C)c1 9909906 HMFSHRQOXFVLEL-UHFFFAOYSA-N 452.463 3.046 10 40 JGCB CCCCN(C(=O)COC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 49597313 KOKGFTGXRHEDEP-HXUWFJFHSA-N 476.595 3.075 10 40 JGCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OCC)c(O)c([N+](=O)[O-])c3)C2=O)cc1OC 409216311 GWDYSOKNXVXWQN-OQLLNIDSSA-N 485.449 3.163 10 40 JGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 9470801 WXEIBOVCRLZEOG-UHFFFAOYSA-N 478.014 3.233 10 40 JGCB COc1cc(/C=C2\SC(=S)N(CCC(=O)NC3CCCC3)C2=O)cc(OC)c1OC 12276146 SQBLLJAHXHZBKB-ATVHPVEESA-N 450.582 3.363 10 40 JGCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C 408528428 FZWNIHYVIIWPAM-HKWRFOASSA-N 474.565 3.049 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1Cc1ccccc1F 408882070 PAHJHIPQYHWTHP-UHFFFAOYSA-N 463.328 3.492 10 40 JGCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NCCCN3CCOCC3)C2=O)cc1 8819880 NWYHITDCJNJTJT-UZYVYHOESA-N 491.679 3.295 10 40 JGCB CCN1C(=O)C(=CNCCCCCc2nc(-c3ccc(C)cc3)no2)C(=O)N(CC)C1=S 25561741 CQBDVRQAAYKYBI-UHFFFAOYSA-N 455.584 3.227 10 40 JGCB CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccc(F)cc3)C(=O)c3ccccc3C2=O)cc1 250753463 HDYVQDHILRIKCV-ZRBLBEILSA-N 498.466 3.479 10 40 JGCB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 408592651 NGLVDVOOWYAAMB-GIDUJCDVSA-N 452.692 3.487 10 40 JGCB Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 409256709 PAGRMWFOPHWPRP-STZFKDTASA-N 471.469 3.385 10 40 JGCB Cc1cc(C(=O)COC(=O)COc2cccc(Cl)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9107127 NPTFHELOGVLCJX-UHFFFAOYSA-N 476.938 3.200 10 40 JGCB CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCC(C)C)C2=O)CC1 9271888 SPUYDTTVIHUCDS-SDXDJHTJSA-N 471.652 3.084 10 40 JGCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 9310482 HSBYFCIYCTYRFH-VCHYOVAHSA-N 472.544 3.307 10 40 JGCB COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(OC)c1 9327388 BNLUUXSORDROHV-XPWALMASSA-N 483.476 3.399 10 40 JGCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cc(OC)c(OC)cc1C(=O)OC 20287725 FYYPAIWLVNHABN-XKZIYDEJSA-N 485.468 3.281 10 40 JGCB COc1ccc(-c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@H]3CCS(=O)(=O)C3)no2)cc1 21786567 MVPLXFWBQWTPBU-FQEVSTJZSA-N 469.563 3.246 10 40 JGCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)C1 260803023 XAEXGRNVNQQTJN-VQTJNVASSA-N 471.623 3.435 10 40 JGCB CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)ccc21 408533503 SSTFUPCRFIIMEC-WYMLVPIESA-N 453.886 3.075 10 40 JGCB CCCN1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2671584 HATZIGQXXXCIMR-MFUVWIPLSA-N 458.609 3.228 10 40 JGCB COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)cc3Br)C(=O)NC2=S)cc1 9934446 ORBDNJYLOFHXFI-ZSOIEALJSA-N 477.336 3.306 10 40 JGCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)cc1 223163942 XVKJPAYPNKISNK-JWQCQUIFSA-N 477.634 3.494 10 40 JGCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)cc(Br)c1O 408850491 AWMVTLASJQDJBH-NYYWCZLTSA-N 465.643 3.203 10 40 JGCB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC 409192173 BCCINAVEPCRPBF-RIYZIHGNSA-N 460.895 3.277 10 40 JGCB O=C(O)COc1ccc(Br)cc1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 409086778 BCVWNODUIZNAHZ-OBTCNRAFSA-N 458.355 3.293 10 40 JGCB Cc1ccc2nc(NCc3ccc4c(c3)OCO4)c(/C=C3\SC(=S)N(C)C3=O)c(=O)n2c1 16734303 YYOAVDVABJXMBY-IUXPMGMMSA-N 466.544 3.175 10 40 JGCB O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)o2)c1 17167195 KFLAVTNBWHBATF-YVLHZVERSA-N 476.894 3.193 10 40 JGCB CCOC(=O)[C@@H]1[C@@H](c2ccc(N(CC)Cc3ccccc3)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 17201402 NJFALYBTULVSER-JQVVWYNYSA-N 465.472 3.497 10 40 JGCB COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)Nc3ccc(C)cc3C)CC2)cc1 22698767 UTZQDKQUIOXGNN-UHFFFAOYSA-N 490.604 3.443 10 40 JGCB COC(=O)COc1ccc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(C)=C2C(=O)OC)cc1 408784892 WHBDMXVBGJVVIU-BKUYFWCQSA-N 451.475 3.120 10 40 JGCB COC(=O)c1ccc(C)c(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)c1 408857139 NDYGRPLYDKPJOG-WOJGMQOQSA-N 474.425 3.437 10 40 JGCB O=C(Cn1cc(/C=C2/C(=O)N(c3cccc(F)c3)C(=O)N=C2O)c2ccccc21)N1CCOCC1 8663760 RKVWNGUPYNKDSI-UDWIEESQSA-N 476.464 3.146 10 40 JGCB COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(Br)cc1OCC(=O)O 409124147 GYSAQKWGPRZISI-PXNMLYILSA-N 491.319 3.321 10 40 JGCB NC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 409218795 HCQFLAJSAKEDNK-UUILKARUSA-N 468.680 3.177 10 40 JGCB COc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccc(Br)cc3C)C1=O)OCO2 1131441 DEAIGZXOYJZMJD-AWNIVKPZSA-N 475.320 3.326 10 40 JGCB O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O)Nc1ccc(F)cc1 107747922 RYBSOZPPSRNTKN-XDHOZWIPSA-N 463.421 3.098 10 40 JGCB Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)O)c(Br)c3)C(=O)NC2=S)cc1 6798419 WEFFDPQYQUUNHT-ZSOIEALJSA-N 475.320 3.052 10 40 JGCB Cc1cc(C(=O)COC(=O)c2ccc(Cl)c(N)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 11482506 RUXANCWZZXTCMA-UHFFFAOYSA-N 461.927 3.017 10 40 JGCB CCCCOc1ccc(/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1OC 12275208 RDNZSVQCHDTNLS-YYTPVVGHSA-N 453.538 3.393 10 40 JGCB COc1ccc(N2CCN(Cc3ccccc3OCc3ccccn3)[C@H](C(=O)N(C)C)C2)cc1 257289015 PWQGVCDFMXNNCD-VWLOTQADSA-N 460.578 3.448 10 40 JGCB COCCCN1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 9347658 NAKOYDQGKQOCOF-GXYBQNOFSA-N 496.614 3.078 10 40 JGCB COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)NCCc4ccccc4)cc3)CC2)cc1 13084693 QEPCQPUKPJFVAJ-UHFFFAOYSA-N 479.602 3.179 10 40 JGCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 59139534 RYWYDMCGBFOZPN-UHFFFAOYSA-N 475.910 3.435 10 40 JGCB O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 101136832 QFJDYCCCXWBNMV-NJYVYQBISA-N 468.421 3.290 10 40 JGCB COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245229970 JBGYSLNZBCIAIR-GFXAMXPBSA-N 469.541 3.271 10 40 JGCB O=C1NC(=O)C(=Cc2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccc(Cl)cc2)C(=O)N1 409067943 RNEUOBCTQUCTSG-UHFFFAOYSA-N 475.693 3.164 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C 409264670 PAHQLPGDTHCHHX-UHFFFAOYSA-N 471.897 3.122 10 40 JGCB COCCNc1cc(N2CCN(c3ccccc3)CC2)c(N)c2c1C(=O)c1ccccc1C2=O 9409491 FCQSSYSQKROBLQ-UHFFFAOYSA-N 456.546 3.429 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)NC2=S)c(OC)c1 9805547 CUSIHKWWTQBQNK-GZTJUZNOSA-N 478.482 3.493 10 40 JGCB C[C@]1(C(=O)O)N[C@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 15276073 KDZAPOPKRQNTCS-ROYATCLZSA-N 479.714 3.102 10 40 JGCB CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18077499 HDYVQDHILRIKCV-RJGXRXQPSA-N 498.466 3.479 10 40 JGCB CN1CCN([C@@H](CNS(=O)(=O)c2cccc3ccccc23)c2ccc3c(c2)CCN3C)CC1 22735882 XHMMALANHTVKBZ-VWLOTQADSA-N 464.635 3.099 10 40 JGCB Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2[N+](=O)[O-])cc1 33664950 NYBAAJXUQJDHDH-MOSHPQCFSA-N 472.457 3.382 10 40 JGCB CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3ccccc3OCC(=O)O)C2=O)c1 59105263 JRDDUSCLWVLIKV-LFIBNONCSA-N 454.435 3.454 10 40 JGCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OC)cc4[N+](=O)[O-])c3C)C2=O)o1 107884854 OKXBUWREZBFEAF-ZDLGFXPLSA-N 494.460 3.483 10 40 JGCB CCc1ccc(N2C(=O)/C(=C/c3ccc(O)c(I)c3)C(=O)NC2=S)cc1 408904063 DCCISXCJYLXDMS-NTEUORMPSA-N 478.311 3.391 10 40 JGCB COc1ccc(Cn2ccc3nc(N4CCN(c5ccc(OC)cc5)CC4)ncc3c2=O)cc1 39383823 UQVPQGKUUTUWKH-UHFFFAOYSA-N 457.534 3.184 10 40 JGCB Cc1cccc(C)c1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408654449 BPYPXWLXQDDNDA-BDTNDASRSA-N 460.530 3.348 10 40 JGCB COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccccc1F 20205817 GZXMUORWUOBJGH-GQFJHEMJSA-N 488.522 3.035 10 40 JGCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccccc3NC(=O)c3ccccc3)CC2)cc1 32945120 VQPYLEQZFORXEI-UHFFFAOYSA-N 473.529 3.453 10 40 JGCB CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)cc1 2697370 NWXFRAPXBQHRPB-HWYOBBEWSA-N 461.587 3.254 10 40 JGCB CN(C)c1ccc(CN(C(=O)c2ccccc2Br)[C@@H]2CCS(=O)(=O)C2)cc1 9161425 OKODCLYWDMKWHJ-QGZVFWFLSA-N 451.386 3.345 10 40 JGCB COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc([N+](=O)[O-])c1O 32099625 FHWNJFXORYYOCG-SDQBBNPISA-N 451.313 3.356 10 40 JGCB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC 223603349 MWSZYHCNVNFOKM-QJOMJCCJSA-N 491.544 3.221 10 40 JGCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O)c1ccccc1 409226109 OWBUSLBELHBIQY-MOSHPQCFSA-N 453.476 3.351 10 40 JGCB CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C/N1C(=O)/C(=C\c2cccc(O)c2)SC1=S 8665141 AVOVUJKJWVMOFW-ZONYTPJBSA-N 479.539 3.443 10 40 JGCB CCN(Cc1ccc(N(C)C)cc1)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9868917 HYXJASYNGSSQAC-IBGZPJMESA-N 458.628 3.386 10 40 JGCB COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(c2ccc(OC)cc2)[C@H](C)C1 61925466 SGUCUMIGUKCPMT-QGZVFWFLSA-N 450.539 3.421 10 40 JGCB CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c2ccccc21 409169761 ZHZPTCBVTFEDSN-SFQUDFHCSA-N 463.515 3.044 10 40 JGCB COc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C1=O)OCO2 409230949 AFQLUXUDRFQDFC-WLRTZDKTSA-N 450.394 3.274 10 40 JGCB COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9138419 PGIKYEAHDMCDGZ-DEOSSOPVSA-N 464.610 3.037 10 40 JGCB C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 10113423 NYAUZWKKCKPCFV-HNNXBMFYSA-N 486.421 3.301 10 40 JGCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O 12628493 UKNOJMVMGLXJQA-RVDMUPIBSA-N 455.511 3.274 10 40 JGCB CCC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc(OC)c2)C1=O 408533000 JALKXJJPLYUDTM-YBEGLDIGSA-N 473.279 3.440 10 40 JGCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccccc2O[C@H](C)C(=O)O)C(=O)NC1=S 409192372 BPRMDZIEJZWBRU-JXCQQFQQSA-N 489.347 3.441 10 40 JGCB COc1cc(/C=C2/SC(=S)NC2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409328356 SUTRBZGAFWZUKT-LZYBPNLTSA-N 466.518 3.168 10 40 JGCB CCN(CC)c1ccc(CNC(=O)CN(c2cc(OC)c(Cl)cc2OC)S(C)(=O)=O)cc1 223194459 OZDJGWLYCIAFKZ-UHFFFAOYSA-N 484.018 3.286 10 40 JGCB CN(C)c1ccc(CN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)[C@H]2CCS(=O)(=O)C2)cc1 8846079 TVIRSDTXTGXBQJ-SFHVURJKSA-N 474.966 3.342 10 40 JGCB COc1cccc([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)c1O 19848605 BUGSYAXXPKZOBC-YDLHNXBPSA-N 472.925 3.374 10 40 JGCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)C3(O)CCCCC3)c2C)c1 9117767 URDMMADLDWGGRL-UHFFFAOYSA-N 471.506 3.088 10 40 JGCB CCOc1cc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)ccc1O 13661797 KTUSIHJVCYMLRJ-BOPFTXTBSA-N 450.563 3.194 10 40 JGCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 8890379 UBJXCBXRXCWVMR-MHZLTWQESA-N 471.513 3.442 10 40 JGCB COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(F)c(N4CCCC4)cc3C)C2=O)cc1 33386513 DSRPCNGLLDJHED-MOSHPQCFSA-N 452.486 3.274 10 40 JGCB CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)ccc21 408526572 BNLVOFPHCBZRIR-FOWTUZBSSA-N 498.337 3.184 10 40 JGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 409075557 RQZFSRYUDTUHSK-XSFVSMFZSA-N 466.446 3.260 10 40 JGCB COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)CC2)cc1 3547568 JEUUNVLFLSAQBY-UHFFFAOYSA-N 465.575 3.483 10 40 JGCB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(S(=O)(=O)N4CCCCCC4)c3)CC2)cc1 13581664 OEZFZQKECXMXPM-UHFFFAOYSA-N 487.622 3.231 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(F)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 28627789 QOHXTQHPPFPMJW-VOSMRYOYSA-N 465.550 3.003 10 40 JGCB COc1cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)ccc1OCc1cccc(C)c1 41084537 DKVJOZCMTWOWKD-VZKFJVGXSA-N 491.573 3.491 10 40 JGCB COC(=O)c1ccc(Oc2coc3c(CN4CCC(C(=O)O)CC4)c(O)ccc3c2=O)cc1 94993366 GKAZLUGLGBDEOD-UHFFFAOYSA-N 453.447 3.374 10 40 JGCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C(=O)NC1=S 409244278 ANXHGQCEFCIVOL-DEDYPNTBSA-N 458.543 3.333 10 40 JGCB COc1ccc(N2CCN(C(=O)COC(=O)c3c(C)nn(-c4ccccc4)c3Cl)CC2)cc1 23474717 YUCWUIXJAYSLFQ-UHFFFAOYSA-N 468.941 3.348 10 40 JGCB Cc1cccc(COc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1 41077795 JJTKDWQBBVSSSS-JMCWYTMQSA-N 454.533 3.195 10 40 JGCB COc1ccccc1-c1c(C(F)(F)F)oc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O 20358360 RHGHTSSGIIZCFP-UHFFFAOYSA-N 478.467 3.303 10 40 JGCB biogenic COc1ccc(N2CCN(C(=O)c3cc(Br)ccc3OC)CC2)c([N+](=O)[O-])c1 34860923 BULILQSCYHFUPD-UHFFFAOYSA-N 450.289 3.337 10 40 JGCB COC(=O)c1c(N/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)sc2c1CCCC2 98086657 SWOKLPPZVCHTFR-GXDHUFHOSA-N 459.524 3.296 10 40 JGCB CC(=O)[C@H](/N=N/c1ccc(S(=O)(=O)Nc2nncs2)cc1)C(=O)Nc1ccccc1C 104123637 ZIKAYCNSRMNLHB-AWZKZOKMSA-N 458.525 3.327 10 40 JGCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1 408872990 QIMAGACMQQWNMW-MTJSOVHGSA-N 452.507 3.303 10 40 JGCB CN1C(=O)/C(=C/c2ccccc2OCc2ccc(I)cc2)C(=O)NC1=S 408911679 BYBQBMQBFZWOCZ-XNTDXEJSSA-N 478.311 3.127 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 2120551 HNZDWCVEUJTHDX-FOOJEKODSA-N 491.613 3.263 10 40 JGCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 8819392 GOELLQMDQCDQNU-YVLHZVERSA-N 459.505 3.452 10 40 JGCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 12506401 WAIACQIWOTWKPE-UHFFFAOYSA-N 482.562 3.011 10 40 JGCB CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=N)N21 20207280 TWKHLSWEIUPOQG-FZVWOUGZSA-N 473.492 3.255 10 40 JGCB COC(=O)c1ccc(/C=C2/SC(=S)N(CCCCCC(=O)NC3=NCCS3)C2=O)cc1 32701781 QXTJHUKDVJZHAW-DTQAZKPQSA-N 477.633 3.454 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCC(=O)Nc1ccc(F)cc1 35074560 RQTIUUWHONECID-NDENLUEZSA-N 491.475 3.322 10 40 JGCB Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 2326212 UQEQIEPXEJJOKI-RGEXLXHISA-N 483.663 3.289 10 40 JGCB O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21)NCc1ccco1 6475157 GWZYZLWVXSCMEG-FYJGNVAPSA-N 474.517 3.345 10 40 JGCB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NCCCN1CCOCC1 8819700 RZRHWRFMERUPLW-ZZEZOPTASA-N 461.653 3.287 10 40 JGCB COc1ccc(N2CCN(C(=O)COc3cccc(C(=O)NCc4ccccc4)c3)CC2)cc1 12553907 GVKQWBPBNZHYAW-UHFFFAOYSA-N 459.546 3.353 10 40 JGCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1 12565072 DDMGJNHVOMAFLB-RUZDIDTESA-N 454.590 3.222 10 40 JGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 23936889 NXFHTCWIFFHTRQ-MUUNZHRXSA-N 486.572 3.102 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](Cc3ccccc3)C(=O)O)C2=O)cc1 8870108 RBYUZVBQVBPIQL-XWALVKJWSA-N 470.572 3.099 10 40 JGCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(O)c(OC)c3)C2=O)cc1 9259608 PJPPNTAWTXSPPF-ZSOIEALJSA-N 492.269 3.234 10 40 JGCB C[C@@H](OC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)C(=O)NC(=O)NC1CCCCC1 13108639 PTKSBMMIRVEXKI-MRXNPFEDSA-N 450.491 3.456 10 40 JGCB CC1(C)C[C@H](O)C[C@](C)(CN/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)C1 19832591 SRTNTYUGBUHPJO-QUJIEGTPSA-N 464.360 3.083 10 40 JGCB CCCCn1c(=O)c2sccc2n2c(CCC(=O)N3CCN(c4ccc(OC)cc4)CC3)nnc12 35528762 YCOUYZFWLFUHTL-UHFFFAOYSA-N 494.621 3.196 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1ccco1 408537314 VEJHGXPQNNYEGI-NZYOLJAMSA-N 450.447 3.158 10 40 JGCB CCN1C(=O)C(=Cc2c(C)c3cc4c5c(c3oc2=O)CCCN5CCC4)C(=O)N(CC)C1=S 2251960 ICRVZSGXIQLWBO-UHFFFAOYSA-N 465.575 3.179 10 40 JGCB COc1ccc(N2CCN(C(=O)CSc3nnc(N4CCCCC4)n3C3CC3)CC2)cc1 22539192 PNUXKVMMKJFDAB-UHFFFAOYSA-N 456.616 3.053 10 40 JGCB CCCCN1C(=O)/C(=c2/s/c(=C3\Sc4ccccc4N3CC)c(=O)n2CC)SC1=S 28615421 DGODZUZNPGHJDP-IKBKFCNISA-N 477.702 3.396 10 40 JGCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C 408535943 UUHFTSIUKJDFGI-JXAWBTAJSA-N 494.983 3.394 10 40 JGCB CCOC(=O)COc1c(I)cc(/C=C2\SC(=S)N(C)C2=O)cc1OC 409348570 OTWIJGGFAMWAMA-GHXNOFRVSA-N 493.344 3.073 10 40 JGCB COc1ccc(N2CCN(CCCNC(=O)c3nnc(Cc4c(F)cccc4Cl)o3)CC2)cc1 9561244 OJDXHLBVPBYPHK-UHFFFAOYSA-N 487.963 3.404 10 40 JGCB COc1ccc(N2CCN(CCCNC(=O)COCc3cc(-c4ccc(F)cc4)on3)CC2)cc1 15679208 CAQNJDHXRBVGNU-UHFFFAOYSA-N 482.556 3.334 10 40 JGCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1c(O)[nH]c(=O)n(-c2cccc(Cl)c2)c1=O 17136190 NLVGILDULOZOFC-YBEGLDIGSA-N 457.273 3.344 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C2=O)c(OC)c1 408954264 SFBUUGSDCZWPSZ-XSFVSMFZSA-N 460.490 3.227 10 40 JGCB O=C(O)c1cccc(N2C(=O)/C(=C\c3ccccc3OCC(=O)N3CCOCC3)SC2=S)c1 409105520 IFIPAPSGUTYAQT-CPNJWEJPSA-N 484.555 3.028 10 40 JGCB CCN1C(=O)C(=Cc2cn(Cc3ccc(C(=O)OC)o3)c3ccccc23)C(=O)N(CC)C1=S 409389893 CUTVIUSDXYICJV-UHFFFAOYSA-N 465.531 3.448 10 40 JGCB O=[N+]([O-])c1ccc(/N=N/c2cc(S(=O)(=O)O)c3cccc(S(=O)(=O)O)c3c2O)cc1 4683083 GQTOAWYCHJNRRS-ISLYRVAYSA-N 453.410 3.362 10 40 JGCB O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(I)o1 9311643 WGRLXDCZHQYEMW-XFFZJAGNSA-N 487.047 3.313 10 40 JGCB COc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1OC 41078431 WGHIUVOCFGTCQN-ZGNOUXFWSA-N 463.446 3.382 10 40 JGCB CCOc1ccc(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 95927156 ATTZXKSGVDIGRY-UNOMPAQXSA-N 456.545 3.445 10 40 JGCB C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3nnc(NC(=O)C(C)(C)C)s3)cc2)C1 223041590 BTBRTAHGVCCABS-CQSZACIVSA-N 451.618 3.238 10 40 JGCB O=C(O)CSc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 408553444 ZDSQFTRCXWFWJN-JYRVWZFOSA-N 465.915 3.400 10 40 JGCB COCCCN1C(=O)/C(=C\c2c(N3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 6461833 SGBAOKJMDQTFAR-SAPNQHFASA-N 458.609 3.169 10 40 JGCB COc1ccc(N2CCN(C(=O)[C@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)CC2)cc1 13680988 FFJOPBJUUJCXOS-KRWDZBQOSA-N 466.003 3.160 10 40 JGCB COC(=O)[C@]1(Cc2ccc3c(c2)C=CC(C)(C)O3)OC(=O)C(OC)=C1c1ccc(O)c(O)c1 31162748 DHAXSUMTBBBFBJ-RUZDIDTESA-N 452.459 3.351 10 40 JGCB biogenic,in-vitro CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)OC 408917091 MISOTBXQQYQLSP-NVNXTCNLSA-N 492.912 3.261 10 40 JGCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(Br)cc1 10113558 LVRSZBCMPMBPFL-UHFFFAOYSA-N 466.401 3.132 10 40 JGCB Cn1nc(CC(=O)NN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)c2ccccc2c1=O 13424594 JNILRTPPJKTNQU-YVLHZVERSA-N 470.963 3.062 10 40 JGCB COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 19584910 GNHJRZZAACCNPM-GOIZPCHYSA-N 487.531 3.410 10 40 JGCB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)C(=O)N=C2S1 41077861 QWXBNTJTNXBLTA-PCHQCWAOSA-N 493.570 3.342 10 40 JGCB COCCN1C(=O)/C(=C/c2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)SC1=S 40221164 AYDAVNMZAZGFJZ-LGMDPLHJSA-N 469.544 3.343 10 40 JGCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCc2ccc(S(N)(=O)=O)cc2)cc1 112298039 OMLBWOPEMQDNAF-QJOMJCCJSA-N 476.558 3.157 10 40 JGCB O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc([N+](=O)[O-])c(O)cc1O 408723402 UBJYOXIORBWGLE-YCRREMRBSA-N 454.247 3.144 10 40 JGCB COCCCN1C(=O)/C(=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)C(C(=O)OC)=C1C 408785702 YHKMWPQCHCZVJA-KQWNVCNZSA-N 478.545 3.091 10 40 JGCB COc1cc(/C=C2/SC(=S)N(CC(=O)Nc3nccs3)C2=O)cc(OC)c1OC 1767143 OYYFUWZBNNCLJK-MDWZMJQESA-N 451.551 3.009 10 40 JGCB CC[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712347 CLBCANIOEFQROI-NRFANRHFSA-N 466.003 3.242 10 40 JGCB COc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(OC)c1 13773717 BNLUUXSORDROHV-VJBWXMMDSA-N 483.476 3.399 10 40 JGCB CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1cccc(Cl)c1 67205142 FDIYEOKCYUJQJJ-QHCPKHFHSA-N 484.984 3.342 10 40 JGCB COc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc1OC 169680798 SAYDYYCTSDEPKJ-DNVJHFABSA-N 483.476 3.399 10 40 JGCB C[C@H]1CCCN(c2ccc(CNC(=O)[C@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)cc2)C1 260816639 XYEJOOJCLLCACC-OALUTQOASA-N 459.612 3.402 10 40 JGCB COc1ccc(CC2=NN3C(=N)/C(=C/c4ccc5c(c4)OCO5)C(=O)N=C3S2)cc1OC 8914154 YFIOUVYNTGPHKA-PRYGQBPTSA-N 450.476 3.294 10 40 JGCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1Cl 22735297 INCDUYDNENYONW-DEOSSOPVSA-N 484.044 3.074 10 40 JGCB COc1ccc(N2CCN(CN3C(=O)N[C@@](C)(c4cccc(Br)c4)C3=O)CC2)cc1 23844365 KDNOLMIAYWOGRN-QFIPXVFZSA-N 473.371 3.004 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OC(C)C 408695390 SXVZUVGGEJDONA-RIYZIHGNSA-N 498.317 3.491 10 40 JGCB Cc1cc(C)c2c(=O)cc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@H]3CCS(=O)(=O)C3)oc2c1 21658735 REMZGJMNSCQUMI-FQEVSTJZSA-N 468.575 3.305 10 40 JGCB Cc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1ccccc1Cl 41077691 CIKWSYKHWSDQCD-XCGHDDSDSA-N 461.956 3.369 10 40 JGCB COc1cc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)ccc1O 96222306 JMPMALGZALIRCH-LBPRGKRZSA-N 478.409 3.438 10 40 JGCB biogenic CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCC(=O)O 408985722 YDQGUWSRMLXPNX-SXGWCWSVSA-N 472.881 3.431 10 40 JGCB CCCn1c(=O)c2sccc2n2c(CCCC(=O)N3CCN(c4ccc(OC)cc4)CC3)nnc12 8596031 QDIIPCPWNSWAIS-UHFFFAOYSA-N 494.621 3.196 10 40 JGCB Cc1ccccc1COc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1 20205953 ASTDSSZWCOUONN-JMCWYTMQSA-N 454.533 3.195 10 40 JGCB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1cccc(C(=O)O)c1 34792633 DNYZIDJMCZIUSH-MFOYZWKCSA-N 459.501 3.258 10 40 JGCB CCCC[C@@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(c2ccc(OC)cc2)CC1 13505410 REAFHULLLGOSTB-DEOSSOPVSA-N 498.653 3.475 10 40 JGCB CCOc1cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc(I)c1O 33288549 LWKQEGVFWDIYMI-NVNXTCNLSA-N 478.286 3.474 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1cccs1 409062541 WMBXJUNQNDZYCI-QDUHJBTASA-N 479.627 3.460 10 40 JGCB COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 12414328 PIJONNANFKMCGI-UHFFFAOYSA-N 464.540 3.347 10 40 JGCB Cc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)cc1 41084501 NUGGPZSUEJDJKO-KBWRVROPSA-N 491.573 3.362 10 40 JGCB Cc1cccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1C 408671329 ZDLBOMQJKOGIBK-FUDKSRODSA-N 460.530 3.348 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4)cc3)C2=O)cc1 409045617 ZVQBLACHMQGTFA-PXLXIMEGSA-N 471.469 3.379 10 40 JGCB CCOC(=O)COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OC 409203916 ZWYJLJIWJUZDKE-YBEGLDIGSA-N 478.573 3.245 10 40 JGCB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(/N=N\c4ccccc4)cc3)C(=O)[C@H]12 409288164 DJOOOCAQRKAKGN-SXEPMFNESA-N 475.457 3.367 10 40 JGCB O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c2ccccc21)Nc1ccc(F)cc1 409390469 FQTKFJOAERHQFP-FYJGNVAPSA-N 483.459 3.481 10 40 JGCB CN(C)c1ccc(CN(C(=O)c2ccc(Br)cc2)[C@H]2CCS(=O)(=O)C2)cc1 4030262 YCLNYYNJDZTWRE-IBGZPJMESA-N 451.386 3.345 10 40 JGCB CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)s1 225277062 ILQJJZFERCRFEA-HUUCEWRRSA-N 451.618 3.408 10 40 JGCB CCN1C(=O)C(=Cc2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)C(=O)N(CC)C1=S 408955572 YOAPOQTTZSZFJW-UHFFFAOYSA-N 468.531 3.351 10 40 JGCB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c(C)c1 8799180 BFIAMMTXNYJVAN-XMMPIXPASA-N 470.639 3.451 10 40 JGCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(C)c(C(=O)N4CCCCC4)c3)CC2)cc1 408635905 JJUIOIBEETXIJK-UHFFFAOYSA-N 457.596 3.141 10 40 JGCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)c1 408954736 SJERDBHOCFDMLK-RGVLZGJSSA-N 487.468 3.276 10 40 JGCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccccc2)cc1 409004223 WZYSDCNZBNVSFJ-AUAXKSBWSA-N 490.556 3.233 10 40 JGCB COc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3ccc(Br)cc3)C1=O)OCO2 409065590 JLGQYCWBPDIUPW-MLPAPPSSSA-N 461.293 3.018 10 40 JGCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 409070065 ZLTVSILEQSLJMA-UHFFFAOYSA-N 491.761 3.329 10 40 JGCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1C 9259781 WZLSVBZNQYWEFX-YBFXNURJSA-N 487.468 3.276 10 40 JGCB Cc1cc(C(=O)COC(=O)CNC(=O)C2CCCCC2)c(C)n1-c1ccc2c(c1)OCCO2 16046200 JWEBAHOXDHWUGL-UHFFFAOYSA-N 454.523 3.288 10 40 JGCB CN1CCN([C@H](CNS(=O)(=O)c2cccc3ccccc23)c2ccc3c(c2)CCN3C)CC1 22735885 XHMMALANHTVKBZ-RUZDIDTESA-N 464.635 3.099 10 40 JGCB COc1ccc(N(CC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)Cc2ccccc2)cc1 22990335 XVYOKQBQDHZBMX-GOSISDBHSA-N 453.564 3.227 10 40 JGCB CCN1/C(=c2/s/c(=C3/C(=O)N(c4ccccc4)N=C3C)n(CC)c2=O)Sc2ccccc21 30726606 UJOVDWBTCKVDRB-CBAIGBLSSA-N 462.600 3.201 10 40 JGCB Cc1ccc(C)c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 408662232 NRHYQJXNDCJZIR-XPNTWCBSSA-N 460.530 3.348 10 40 JGCB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 3345855 VAVWTKSVDDSMDM-UHFFFAOYSA-N 454.548 3.449 10 40 JGCB COc1ccc(S(=O)(=O)N2CCN([C@H](c3ccccc3)c3cc([N+](=O)[O-])ccc3O)CC2)cc1 32801336 OBGZQXFGZNRPOL-XMMPIXPASA-N 483.546 3.405 10 40 JGCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2S1 41083870 JQUSUHKJWRFNFE-ATKCCKKESA-N 459.528 3.245 10 40 JGCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 58866264 QVNUZHPNAQVMAN-UHFFFAOYSA-N 459.432 3.116 10 40 JGCB COCCCN1C(=O)/C(=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)C(C(=O)OC)=C1C 408768373 WSXZVMMZIJGEIG-MOHJPFBDSA-N 492.572 3.133 10 40 JGCB O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 6444498 MMYHSSMNIWMEAA-NTEUORMPSA-N 463.277 3.200 10 40 JGCB COc1ccc(CCNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1OC 12371310 FOSTWFJBUNCUPQ-UHFFFAOYSA-N 460.442 3.360 10 40 JGCB biogenic COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(=O)O 33580684 NWJCHKTXUXUSEN-GHXNOFRVSA-N 481.686 3.036 10 40 JGCB COC(=O)c1c(N/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)sc2c1CCCC2 98086656 IXGVBVYIBOSPAG-RVDMUPIBSA-N 455.561 3.466 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 409220404 YUJPZCRMSYTNLE-UHFFFAOYSA-N 478.288 3.159 10 40 JGCB O=C(COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Br)Nc1ccccc1Cl 409253889 VVCKJMWTFXNVGB-UHFFFAOYSA-N 494.754 3.034 10 40 JGCB CCOC(=O)[C@@](NC(=O)c1ccccc1)(N1CCN(c2ccc(OC)cc2)CC1)C(F)(F)F 20792608 VSXIPHRINHPCBO-JOCHJYFZSA-N 465.472 3.069 10 40 JGCB COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OS(C)(=O)=O 41108086 LQJFCUQANYPMEH-HUHIGAQKSA-N 470.532 3.009 10 40 JGCB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3/SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)cc21 408535843 XESMIWXUHUXHEY-FRKPEAEDSA-N 471.476 3.099 10 40 JGCB O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(C2CCCC2)C1=O)Nc1ccc(F)cc1 408695150 QVTFQIXMVNIEST-CPNJWEJPSA-N 451.454 3.248 10 40 JGCB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cc(OC)c(Cl)cc2OC)C1=O 408831437 ZPVIVJPNNMDHDC-RIYZIHGNSA-N 460.870 3.431 10 40 JGCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)OC 409179959 RADAGDTVZLDTTQ-LDADJPATSA-N 472.544 3.183 10 40 JGCB C[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(N3CCOCC3)nc3ccccn3c2=O)SC1=S 1467571 PXDWVAVVJVAFPX-URTGMZOISA-N 478.599 3.494 10 40 JGCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12 8660890 ZMOMTJLGTKTMSG-SCUCTCNRSA-N 458.609 3.226 10 40 JGCB COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(F)cc3)c3ccco3)CC2)cc1 16953907 MXJSCPQPCDPKBJ-JOCHJYFZSA-N 459.543 3.269 10 40 JGCB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 20458184 PJWFUHGNCMBQIQ-UHFFFAOYSA-N 455.624 3.453 10 40 JGCB COC(=O)C[C@@H](c1ccncc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96221920 ZZSMYMPCTPYKQX-ZDUSSCGKSA-N 465.414 3.078 10 40 JGCB biogenic CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OC 408694892 NSAZMAFIJPKKEB-MDWZMJQESA-N 484.290 3.103 10 40 JGCB O=C1[C@@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc2c(c1)OCO2 101486364 WBJXADDPQYIAFJ-BHDDXSALSA-N 485.423 3.250 10 40 JGCB COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 103438047 FUVJMENAGDQODA-VABKMULXSA-N 483.476 3.399 10 40 JGCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 409075293 QNARDFGFLDDVSV-UHFFFAOYSA-N 491.761 3.329 10 40 JGCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(C)n1-c1ccc2c(c1)OCO2 9782023 LSGMVLUNYUZEKT-AREMUKBSSA-N 457.486 3.399 10 40 JGCB O=C(O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1Cl 12363121 TUYLUTBOYPYCOK-MLPAPPSSSA-N 495.738 3.397 10 40 JGCB NS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)o2)cc1 13777517 WMDIJJPXQYFCRR-ATVHPVEESA-N 480.589 3.440 10 40 JGCB COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)c2C)c([N+](=O)[O-])c1 223582693 CFCIOVYNZOHCEX-YADHBBJMSA-N 467.551 3.371 10 40 JGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1I 408740864 NFXXCKRFCCZJCW-NTEUORMPSA-N 462.243 3.275 10 40 JGCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 654487 ZEENKZSWJPPPKD-AUAXKSBWSA-N 490.556 3.233 10 40 JGCB CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)NC1=S 9311733 AKJSCTYQOURRTG-OQLLNIDSSA-N 476.308 3.193 10 40 JGCB CCCN(C(=O)CSc1ncc(-c2ccc(Br)cc2)n1C)[C@@H]1CCS(=O)(=O)C1 10084356 FCKPOKYUTBCREO-MRXNPFEDSA-N 486.457 3.367 10 40 JGCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c1C 409240046 PJJANEMELFGMJF-VCHYOVAHSA-N 461.434 3.072 10 40 JGCB Cc1ccc2nc(NCCCN(C)C)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2712988 MAEBOXLCGMHPQA-PDGQHHTCSA-N 483.619 3.361 10 40 JGCB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1F 33735598 IVRKYURTMDFCIS-JXAWBTAJSA-N 461.449 3.313 10 40 JGCB COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(C)cc3)c3cccnc3)CC2)cc1 56896375 VNTIFSQKBYKVLJ-VWLOTQADSA-N 466.607 3.240 10 40 JGCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)C1 225562903 XAEXGRNVNQQTJN-WOJBJXKFSA-N 471.623 3.435 10 40 JGCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC 408809428 LFBYLXLCWIAIOB-RIYZIHGNSA-N 461.268 3.228 10 40 JGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(N)=O)c(Cl)c3)C2=O)cc1Cl 409217912 FSARIQDUQUNHEE-UUILKARUSA-N 482.707 3.486 10 40 JGCB CCOc1ccc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)c(OC)c1 8828413 PTFRVZKWOUSXOF-WQRHYEAKSA-N 464.590 3.497 10 40 JGCB CCOC(=O)[C@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 34887785 TXPFUQIMOAAFIJ-ATTDUZETSA-N 489.322 3.250 10 40 JGCB CCOc1ccc(N2C(=O)N=C(O)/C(=C\Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 102514345 PRTQTVQIMFWNIS-XMHGGMMESA-N 461.478 3.302 10 40 JGCB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)C1=O 408548346 GQXZCBCXNMDCHM-VIZOYTHASA-N 450.264 3.061 10 40 JGCB COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br 408784558 UPJRRQGVJUKZJE-RIYZIHGNSA-N 493.697 3.321 10 40 JGCB COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1OC 408858822 SYTINOHFRXRUTD-RIYZIHGNSA-N 496.232 3.114 10 40 JGCB CN1C(=O)C(=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)C(=O)N(C)C1=O 9891793 FICBHMSLWHQMOA-UHFFFAOYSA-N 473.279 3.160 10 40 JGCB COc1ccccc1N1CCN(Cc2c(O)c(C(=O)N3CCOCC3)cc3ccccc23)CC1 23937032 UWVHUSLEVBYWEP-UHFFFAOYSA-N 461.562 3.349 10 40 JGCB CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1ccccc1OCC 67689733 AYSGXYVYBVWBJR-VWLOTQADSA-N 494.592 3.087 10 40 JGCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N3CCCCC3)C2=O)c1 408529232 ITKUEDVCMHTVBQ-DTQAZKPQSA-N 474.521 3.454 10 40 JGCB Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(C(=O)N(C)C)cc3)C2=O)c1C 408532227 PZAPXQXEPTUGMT-LFIBNONCSA-N 485.338 3.347 10 40 JGCB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Cl)cc1 408661290 MIKIRXXYBMOIOR-ACRUOGEOSA-N 466.921 3.384 10 40 JGCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)N(C)C1=S 409123840 IKHNSMOTJDLPNL-BKUYFWCQSA-N 469.567 3.259 10 40 JGCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)c(OC)c1 408755061 YDJAWQBTUYGOKA-DLBLZJNESA-N 491.613 3.263 10 40 JGCB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OCC 408774543 WGOUEUYQDDPUDK-LDADJPATSA-N 452.463 3.002 10 40 JGCB CCN(CC)c1ccc(CN(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]2CCS(=O)(=O)C2)cc1 4301537 LPPBGCUSIUPEPS-NRFANRHFSA-N 490.622 3.388 10 40 JGCB CN1CCCc2cc([C@@H](CNS(=O)(=O)c3ccc(Cl)s3)N3CCOCC3)ccc21 22735526 ZQYGVBMMCJALSX-GOSISDBHSA-N 456.033 3.136 10 40 JGCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1C 223582494 CBWCNZXEPJEGIR-FCHUYYIVSA-N 467.551 3.371 10 40 JGCB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1ncc(Br)cc1Br 408528260 HFRKMMARHVMGQC-JLHYYAGUSA-N 494.143 3.224 10 40 JGCB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)O)cc2)C1=O 409191813 NYKQPZSXGLDYGV-XNTDXEJSSA-N 475.320 3.377 10 40 JGCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(OC)c3)C2=O)cc1 3463124 BVKMFBLZEPCEHG-OVCLIPMQSA-N 458.854 3.041 10 40 JGCB COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)c3cccc(Cl)c3)CC2)cc1 11665943 IVSRCDDOSJSHHX-UHFFFAOYSA-N 491.983 3.245 10 40 JGCB COC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c2ccccc21 13801246 RUTTWPHIRZXGIF-MFOYZWKCSA-N 482.290 3.243 10 40 JGCB CCCOC(=O)c1ccc(Oc2c(C)oc3c(CN4CCN(CCO)CC4)c(O)ccc3c2=O)cc1 19924472 INQCPWVCSIOIQX-UHFFFAOYSA-N 496.560 3.276 10 40 JGCB biogenic COC(=O)C[C@H](c1ccco1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96113780 KDSKOIHENZZWTE-LLVKDONJSA-N 454.387 3.276 10 40 JGCB biogenic CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cccc1OC 409195180 SAMQJLYZPTZFGO-VLURKWGBSA-N 454.504 3.402 10 40 JGCB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409085254 YRBLPWJAUBJVKW-UHFFFAOYSA-N 451.313 3.164 10 40 JGCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)o2)cc1 409193289 IKUAOICAVVNNFW-LDADJPATSA-N 476.466 3.263 10 40 JGCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)c(OCC(N)=O)c(Cl)c2)C1=O 409220014 SRMCCQWOSJPXSC-VZUCSPMQSA-N 482.707 3.486 10 40 JGCB COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc(OC)c1OC 16901431 OVCXPCJGAOXUKL-MFOYZWKCSA-N 488.543 3.251 10 40 JGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cccc4c3C(=O)[C@@H]3C=CC=C[C@H]3C4=O)C2=O)cc1 101125385 AZMOJJDYAQZQGS-JJLAUHSJSA-N 453.454 3.311 10 40 JGCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)nc1 223149198 JJNJSDAWYWIKJV-LOSJGSFVSA-N 476.650 3.497 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccccc1Br 408882883 RHNGQNZCNPMILO-UHFFFAOYSA-N 461.337 3.341 10 40 JGCB O=C(O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 409074743 RFEWUAKCLCRPDM-UUILKARUSA-N 480.216 3.031 10 40 JGCB O=C(NN1C(=O)/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC1=S)c1cccs1 409329064 CNWAVXXQEBCIBG-WJDWOHSUSA-N 476.561 3.039 10 40 JGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cc(OC)c(OC)cc1C(=O)OC 9060718 RWUNJWFTLVPXQB-HMAPJEAMSA-N 467.478 3.142 10 40 JGCB COCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 13645044 OUGQPSJGAFKNAQ-GKWWPLGASA-N 472.636 3.415 10 40 JGCB CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2ccccn2)cc1 100334467 HMMJBTDPNPTRQK-RMBMZXQHSA-N 492.517 3.301 10 40 JGCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1cccc(I)c1 408994430 FZSJSRPSPJUBIQ-UHFFFAOYSA-N 463.275 3.133 10 40 JGCB COc1ccc(N2C(=O)/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)SC2=S)cc1 408535147 UWBSPDUJZIJKME-RQZCQDPDSA-N 456.505 3.200 10 40 JGCB Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(I)c3)C(=O)NC2=S)c1 408965620 WKZDXVNPLYKZEM-MDWZMJQESA-N 464.284 3.137 10 40 JGCB CC(=O)NCCc1c(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)[nH]c2ccccc12 2345425 WBNVWCWJVXWNQA-PDGQHHTCSA-N 495.333 3.275 10 40 JGCB Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1C 408665925 QWLSRFNQAXDBEC-ZLNRFVROSA-N 460.530 3.348 10 40 JGCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408967933 VWBVBULOKGZTKJ-UDWIEESQSA-N 498.948 3.061 10 40 JGCB COc1ccc(N2C(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)C(=O)NC2=S)cc1 6645197 SWBZRGKECZVZGH-MLPAPPSSSA-N 481.313 3.297 10 40 JGCB Cc1ccccc1N1CCN(CC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1 13062102 QIIRHBGAELPCED-UHFFFAOYSA-N 466.607 3.055 10 40 JGCB COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(OCC(C)C)cc3)CC2)c([N+](=O)[O-])c1 14269027 BCDBPVUXKWPLTJ-UHFFFAOYSA-N 472.567 3.475 10 40 JGCB COc1ccccc1N1C(=O)[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 100672368 LWIKTGSKAFPMNH-FSSWDIPSSA-N 453.450 3.390 10 40 JGCB O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O 101136836 QFJDYCCCXWBNMV-HBMCJLEFSA-N 468.421 3.290 10 40 JGCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)C1=O 409229273 MKYODIMNKPEXOJ-DEDYPNTBSA-N 478.549 3.398 10 40 JGCB CCCN(C(=O)COC(=O)c1cc(C)n(-c2cc(Cl)ccc2OC)c1C)[C@@H]1CCS(=O)(=O)C1 11422190 PMVPWDKDSRGGNZ-GOSISDBHSA-N 497.013 3.339 10 40 JGCB CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C3=O)o2)cc1 13075178 UTFMGRSJEXQACB-CIKBWMHTSA-N 475.500 3.252 10 40 JGCB CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)s1 260762395 ILQJJZFERCRFEA-GJZGRUSLSA-N 451.618 3.408 10 40 JGCB CCCOc1c(I)cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1OC 409344580 HEVJHJOLBHNIRJ-KPKJPENVSA-N 493.344 3.374 10 40 JGCB CCN(CC)c1ccc(CN2CC[C@H]3[C@@H]2CC(=O)N3Cc2ccc(S(C)(=O)=O)cc2)cc1 2056226633 WPFYEKSTABPUFJ-ZEQRLZLVSA-N 455.624 3.312 10 40 JGCB COc1ccc(N2CCN(C(=O)c3nnn(-c4ccc(NC(=O)c5ccccc5)cc4)c3N)CC2)cc1 33436000 LYABNIKFVOHZOD-UHFFFAOYSA-N 497.559 3.073 10 40 JGCB COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(C)cc3)c3cccnc3)CC2)cc1 56896376 VNTIFSQKBYKVLJ-RUZDIDTESA-N 466.607 3.240 10 40 JGCB CC(C)NS(=O)(=O)c1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1 58113638 KHVRCLPGQYOXMS-JOCHJYFZSA-N 459.612 3.261 10 40 JGCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 101251426 KVGNMRHYMINDDR-SFQUDFHCSA-N 465.897 3.025 10 40 JGCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 408849581 WWOGAZMOSAZTFL-AWNIVKPZSA-N 489.278 3.252 10 40 JGCB Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Br)cc1Cl 409260342 OZPQSIGECNFTRJ-UHFFFAOYSA-N 492.713 3.178 10 40 JGCB Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3\SC(=S)N(CCC(C)C)C3=O)c(=O)n2c1 2341765 XPDCMZJYBXSKFB-AQTBWJFISA-N 471.652 3.002 10 40 JGCB CCCN(C(=O)CSc1ncc(-c2ccc(Br)cc2)n1C)[C@H]1CCS(=O)(=O)C1 10084365 FCKPOKYUTBCREO-INIZCTEOSA-N 486.457 3.367 10 40 JGCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC#N 34705052 NUKQJTLYWIWGJB-GDNBJRDFSA-N 489.269 3.054 10 40 JGCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)N2CCc3ccccc3C2)cc1 36683821 VAMKPBPFYUMGBZ-DEOSSOPVSA-N 486.572 3.336 10 40 JGCB COc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 2278293 VIBPPHDUUIILFL-STZFKDTASA-N 487.512 3.286 10 40 JGCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(O)[nH]c(=O)n(-c2cccc(Cl)c2)c1=O 8430149 LNHVMRANHRYIHF-WQRHYEAKSA-N 450.882 3.308 10 40 JGCB CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(S(N)(=O)=O)cc3)c2C)cc1 10525968 GSYJIMIGCGNLGD-UHFFFAOYSA-N 456.520 3.180 10 40 JGCB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1sc2c(c1C(=O)NCCOC)CCCC2 11615623 BDVXQTFXJAHHEC-UHFFFAOYSA-N 495.623 3.161 10 40 JGCB CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1ccccc1Cl 67205016 IYCYZUNUAODLJV-QHCPKHFHSA-N 484.984 3.342 10 40 JGCB O=C(Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21)NC[C@@H]1CCCO1 409130901 XBOYGVGQTBFPCP-IXNXRLJDSA-N 485.631 3.317 10 40 JGCB Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCC(=O)O)C2=O)c1 9209648 GZXFECQOEPLSEQ-VBKFSLOCSA-N 467.528 3.471 10 40 JGCB COc1ccc2c(c1)C=C[C@H]1[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N21 15989892 BAGLFPZJZXODHC-FDTGPBLFSA-N 474.513 3.429 10 40 JGCB COCCCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)C(C(=O)OC)=C1C 408788821 HZAMUVNWKYWUIV-PGMHBOJBSA-N 494.544 3.422 10 40 JGCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(Br)cc1OCC(=O)O 409080485 DSWVDYIYFJMDSJ-HJCFUPBFSA-N 488.381 3.301 10 40 JGCB CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(/N=N/c4ccc(C(=O)O)cc4)CC3)cc21 72434014 HLCPTADXIDJHNG-OCEACIFDSA-N 467.457 3.378 10 40 JGCB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1OC 260805455 DPOIGALAZXJRSI-GOSISDBHSA-N 475.611 3.192 10 40 JGCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2n1 8690485 OGFMPOLCRCYRGO-UHFFFAOYSA-N 485.452 3.041 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)c(Br)cc1O 13940262 VPCVTIWFOIYRQX-RIYZIHGNSA-N 477.336 3.393 10 40 JGCB COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCc3ccccc3Cl)c3ccco3)CC2)cc1 56946254 AYAMDAOMHGUPLA-HSZRJFAPSA-N 496.995 3.238 10 40 JGCB CN(C)c1cccc(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1 95927150 QKYANUITLGKEFM-ODLFYWEKSA-N 455.561 3.113 10 40 JGCB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2nnc(S)s2)SC1=S 256055592 MJNJZHJOWHIJCF-ZGSOTFDTSA-N 452.608 3.115 10 40 JGCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1Br 409138211 YVEUKJLJHSMYMH-SFQUDFHCSA-N 482.400 3.190 10 40 JGCB COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1 8799000 UHKPGOYQPASXMH-QFIPXVFZSA-N 459.612 3.202 10 40 JGCB Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 24761843 ULSSZXLMFYYLRF-UHFFFAOYSA-N 457.534 3.260 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)c2C)cc1 223599795 LRTKRBCDSKYJCP-FCHUYYIVSA-N 450.564 3.241 10 40 JGCB Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2=O)ccc1Br 408537321 ZYBREJAJKQGQTH-RIYZIHGNSA-N 490.226 3.153 10 40 JGCB C[C@H]1CCCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)C1 1467457 WYWFLJVRAQFHEZ-LQXHQAILSA-N 470.620 3.311 10 40 JGCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 9846956 NUJVRSZZQHABEQ-KQWNVCNZSA-N 494.544 3.422 10 40 JGCB NC(=O)Cn1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c2ccccc21 96835857 WUQLWJQEBASFFN-CXUHLZMHSA-N 467.279 3.396 10 40 JGCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1 409158639 PBUMLZZFPRJWDO-UNOMPAQXSA-N 486.481 3.246 10 40 JGCB Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 665757 AKIFOEWWTVEWED-UDWIEESQSA-N 470.938 3.492 10 40 JGCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 3767751 ROJAQCMVNCQIQK-UNOMPAQXSA-N 464.522 3.144 10 40 JGCB COc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCCCCC4)ccc3OC)CC2)cc1 9789874 WVGRXEYDQUGSLD-UHFFFAOYSA-N 487.622 3.231 10 40 JGCB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)NC(=O)[C@@H]2COc3ccccc3O2)c1C 13149112 DPGSBVKWWPNEDF-QFIPXVFZSA-N 498.919 3.396 10 40 JGCB CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4ccc(OC)cc4)c(=O)n32)cc1 28296201 FOTWPPKKRIDJSP-GOOXQAOHSA-N 491.613 3.263 10 40 JGCB O=C(NN1C(=O)/C(=C/c2ccc(SCCO)c([N+](=O)[O-])c2)SC1=S)c1ccccc1 32124585 KMNJQSVVLXVTNE-WJDWOHSUSA-N 461.546 3.225 10 40 JGCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc3c(c1)OCCO3)[C@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 102652398 OXUBLTFTGOCNQR-ZLNRFVROSA-N 481.460 3.153 10 40 JGCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccccc4)cc3)C(=N)N21 20206025 POKSIKODBUKODV-FJRYHWHXSA-N 484.559 3.156 10 40 JGCB CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2cccs2)N2CCc3ccccc3C2)cc1 36683776 TYLASPVLYWSTGG-DEOSSOPVSA-N 462.619 3.346 10 40 JGCB COc1cc(/C=C2\C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)cc(I)c1O 38170758 HHTHESCEGWRIED-SDQBBNPISA-N 480.214 3.218 10 40 JGCB CCN1C(=O)/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2263488 FPCKJCAXIUNSRH-BQGMYUGNSA-N 452.561 3.061 10 40 JGCB O=C1/C(=C/c2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 2671564 QSLQJNQOONXVBD-SUCHYCSPSA-N 456.593 3.065 10 40 JGCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 8747630 OLUUPHTWWNAFTI-UHFFFAOYSA-N 495.601 3.402 10 40 JGCB COc1ccc(N2CCN(C(=O)CSc3nnc(C4CC4)n3Cc3ccco3)CC2)cc1 29776451 NWVHBDBSHVJARD-UHFFFAOYSA-N 453.568 3.246 10 40 JGCB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)s2)c1 223140242 KPAJQZOZBKDOAE-UHFFFAOYSA-N 457.581 3.178 10 40 JGCB COc1cccc([C@@]2(C)NC(=O)N(CC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)c1 9872194 PONQTKKZIWZPRM-AREMUKBSSA-N 475.501 3.481 10 40 JGCB CCOCCCN1C(=O)/C(=C/c2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 2668442 KRRDYKOYWSAPST-ICFOKQHNSA-N 458.609 3.313 10 40 JGCB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)N1CCN(CCc2ccccn2)CC1 9410036 IKYOWEAABNBDCJ-UZYVYHOESA-N 466.632 3.060 10 40 JGCB COc1ccc(N2CCN(C(=O)CCc3c(C)nc4nc(C(F)(F)F)nn4c3C)CC2)cc1 12554433 HCAYIGQEPPXWNH-UHFFFAOYSA-N 462.476 3.050 10 40 JGCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\NC(=O)Nc1ccc(C(=O)O)cc1 16160643 ZEOHWAHIYODPFE-YBEGLDIGSA-N 490.257 3.418 10 40 JGCB COC(=O)c1cc(Nc2ccc(O)c3c2C(=O)c2c([N+](=O)[O-])ccc(O)c2C3=O)cc(C(=O)OC)c1 33562731 DBBVPCPJQANEDU-UHFFFAOYSA-N 492.396 3.098 10 40 JGCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccco4)c(Cl)c3)C(=O)N=C2S1 41084157 NWRSAYGMVMJGBN-MKBIQDCJSA-N 492.922 3.164 10 40 JGCB COc1ccccc1/C=C1/SC(=S)N(CCC(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)C1=O 104740060 RVJXAJSAYXLVMK-KQOXESIYSA-N 495.626 3.094 10 40 JGCB CCOC(=O)COc1cc(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC 110220219 SWEYYKZRXPENLY-YBEGLDIGSA-N 489.322 3.251 10 40 JGCB Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(I)c3)C(=O)NC2=S)c1C 408962059 GEJRKQUIOTZLIG-MDWZMJQESA-N 478.311 3.445 10 40 JGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(OCC)c3)C2=O)cc1 409039766 DJRSCJMOYBMGJR-CXUHLZMHSA-N 488.880 3.267 10 40 JGCB Cc1cccc(C)c1OCCOc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1 41077750 JEFNHZPQRJCPSK-PCHQCWAOSA-N 498.586 3.383 10 40 JGCB CCN1C(=O)C(=Cc2cn(CC(=O)N3CCCCCC3)c3ccccc23)C(=O)N(CC)C1=S 96234414 IMXMTLDYLSUMCB-UHFFFAOYSA-N 466.607 3.423 10 40 JGCB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)s2)cc1 224274042 ASDRVMWKYQEYBC-UHFFFAOYSA-N 457.581 3.178 10 40 JGCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)c1 409138957 KLQNYHBOMVIHLA-KGENOOAVSA-N 497.573 3.166 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 409219687 PALDFZZBXKDBCW-UHFFFAOYSA-N 494.356 3.324 10 40 JGCB CCCOc1cccc(C(=O)NC(=S)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)c1 14269023 ILACOVUUPUQEDC-UHFFFAOYSA-N 458.540 3.229 10 40 JGCB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 32910953 WNKDMGKNCHGTIS-CPJSRVTESA-N 497.592 3.228 10 40 JGCB COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4c(C)cc(C)cc4C)C3)CC2)cc1 408555575 BBDLTYJIDMPGGA-QFIPXVFZSA-N 485.650 3.370 10 40 JGCB COCCN1C(=O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)C1=O 409015793 BGRGMKRDOLOZNW-PGMHBOJBSA-N 460.446 3.411 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(C)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 2305396 KIGYJGIEIZDBON-FQWPPLDYSA-N 461.587 3.173 10 40 JGCB COc1ccc(N2CCN(C(=S)NC(=O)c3ccccc3Br)CC2)c([N+](=O)[O-])c1 14273718 ZBUMXHPOCRXKKQ-UHFFFAOYSA-N 479.356 3.203 10 40 JGCB CN1CCN([C@H](CNC(=O)c2ccc(Br)cc2)c2ccc3c(c2)CCN3C)CC1 22733732 KESSQIYYAUOJRO-JOCHJYFZSA-N 457.416 3.160 10 40 JGCB CN1CCN(CC(=O)Nc2cccc(-n3c4c(c5ccccc5c3=O)C(=O)c3ccccc3-4)c2)CC1 604406389 VNPFLHKORNZYJH-UHFFFAOYSA-N 478.552 3.388 10 40 JGCB biogenic COc1ccc(N2CCN(C(=O)CSc3nnc(-c4cccnc4)n3C3CC3)CC2)cc1 9712039 NWQJLXKBBPMWFS-UHFFFAOYSA-N 450.568 3.125 10 40 JGCB O=C(N/C=C1\C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O)Nc1ccc([N+](=O)[O-])cc1O 16427960 BCPMIXGWRFIWPT-WQLSENKSSA-N 490.226 3.192 10 40 JGCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(I)cc1 59139189 IVQAAWDTULYVGD-UHFFFAOYSA-N 479.343 3.297 10 40 JGCB COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245229969 JBGYSLNZBCIAIR-FLSMRUOLSA-N 469.541 3.271 10 40 JGCB CCc1ccc([C@@H]2CC(c3ccc(O)cc3)=NN2C2=NC(=O)[C@H](CC(=O)N[C@H](C)C(=O)O)S2)cc1 252498453 RCLRMULGNWZCSF-OREJSRFESA-N 494.573 3.083 10 40 JGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(OC)c3O)C2=O)cc1 16691679 XXBWXISURWDINM-OQLLNIDSSA-N 461.268 3.228 10 40 JGCB COc1ccc(CN2C(=O)NC(=O)/C(=C/NCCC3CCN(Cc4ccccc4)CC3)C2=O)cc1 20649624 BRVLPZVTDIJKEM-ULJHMMPZSA-N 476.577 3.049 10 40 JGCB COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4ccc(S(N)(=O)=O)cc4)C3=O)n2)cc1 100524982 GFTVOBFXJOFBRF-IUBFCHALSA-N 470.536 3.341 10 40 JGCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O 409147884 WHQXMTHGSBMOKU-LFIBNONCSA-N 488.313 3.400 10 40 JGCB Nc1c(C(=O)OCC(=O)Nc2ncc(Br)s2)ccc2c1C(=O)c1ccccc1C2=O 9579725 HOKARSAHCBNQHM-UHFFFAOYSA-N 486.303 3.059 10 40 JGCB COc1ccc(N2CCN(C(=O)c3cc4ccccc4nc3C3=NC(=O)[C@@](C)(C(C)C)N3)CC2)cc1 13690361 OBSZEVFQBLEXSP-MUUNZHRXSA-N 485.588 3.497 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC 19926205 LPPFSPGLCYADIA-GZTJUZNOSA-N 450.563 3.107 10 40 JGCB COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)Nc3ccc(F)cc3F)CC2)cc1 22698777 YCTCVIUQCYSSMT-UHFFFAOYSA-N 498.530 3.105 10 40 JGCB COCCN1C(=O)/C(=C\c2cn(CCCOc3ccccc3OC)c3ccccc23)C(=O)NC1=S 98086709 DPRAAMKTUSBWIS-SILNSSARSA-N 493.585 3.392 10 40 JGCB O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 409134768 PSGDWNBLGKBQCA-MHWRWJLKSA-N 474.286 3.091 10 40 JGCB CC(=O)NCCc1c(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)[nH]c2ccccc12 2377518 RICIGBXEPFHVNB-PDGQHHTCSA-N 466.950 3.331 10 40 JGCB CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 225796786 OUUSRRRSGHQGDY-UHFFFAOYSA-N 466.003 3.137 10 40 JGCB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3cc4[nH]c(O)nc4cc3Br)C2=O)c1C 408536722 XOVBFOPOEHVNSU-FLIBITNWSA-N 470.283 3.227 10 40 JGCB COc1ccc(N2CCN(CCNC(=O)c3nnc(Cc4c(F)cccc4Cl)o3)CC2)cc1 57105600 NRYUZDWKDIXETJ-UHFFFAOYSA-N 473.936 3.014 10 40 JGCB CCNc1nc(NCC)n2c(SCC(=O)Nc3cccc(CN4CCCCC4)c3)nnc2n1 59591122 JFMRWKXBYSUJQO-UHFFFAOYSA-N 469.619 3.100 10 40 JGCB Cc1cc(C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c(C)n1-c1ccc(OC(F)F)cc1 2617624 JSDIHODOXBXWEQ-UHFFFAOYSA-N 497.454 3.125 10 40 JGCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 13073935 DNFQJBLELQWDQU-GULXKOIASA-N 462.461 3.374 10 40 JGCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 59139176 RUABPRMUEVLZMG-UHFFFAOYSA-N 455.492 3.171 10 40 JGCB COc1cc(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)ccc1C 95927148 NTGVSKRLZIXZEM-GRSHGNNSSA-N 456.545 3.364 10 40 JGCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NCC(C)C)nc12 2247073 AYMOISWALKDHTK-HAKPAVFJSA-N 458.609 3.451 10 40 JGCB COc1cc(Br)cc(/C=C2\C(=O)NN(c3cccc(Br)c3)C2=O)c1O 9833675 ROCSAKAXVUYFDF-AWNIVKPZSA-N 468.101 3.387 10 40 JGCB N=C1/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 41084568 DIFXFJGTFNYZFZ-LDYHWCGOSA-N 495.948 3.468 10 40 JGCB CSc1ccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1NC(=O)C(C)C 223998534 BVPXWHDWKKYCIU-UHFFFAOYSA-N 476.668 3.233 10 40 JGCB CN(C)CC(C)(C)CNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1616044683 RTXUYCPCBOIPIC-AREMUKBSSA-N 473.621 3.492 10 40 JGCB CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)cc1 2697360 NWXFRAPXBQHRPB-BTZCDPCDSA-N 461.587 3.254 10 40 JGCB Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 8590103 SVHWEIZICNJXAL-FQEVSTJZSA-N 450.988 3.309 10 40 JGCB CN1CCN(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)CC1 8820181 IQNJVLLBTUAXKM-SDXDJHTJSA-N 467.060 3.380 10 40 JGCB CCN1C(=O)/C(=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 33592456 VUXBPMFJSVGRAJ-SGSZHJQISA-N 499.633 3.212 10 40 JGCB O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccccc1 35251244 AQZJSVWYZGFZPN-UYRXBGFRSA-N 458.430 3.074 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)NC2=S)c(OC)c1 409108092 UZIYWKFFIVXDMD-XSFVSMFZSA-N 476.558 3.392 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4C(=O)O)c3C)C2=O)c(OC)c1 409219320 PLZVRAMQXOCIBF-XDHOZWIPSA-N 489.484 3.476 10 40 JGCB CCC1=NN2C(=N)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])cc3)C(=O)N=C2S1 9046654 WJEFXTHXBLQTJR-DXEGXXAFSA-N 485.503 3.392 10 40 JGCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(-n4c(=O)c(C(C)C)c(C)n4C)cc3)CC2)cc1 12372066 IQMCKCWTFWJDRX-UHFFFAOYSA-N 484.622 3.127 10 40 JGCB CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 19501996 NGTFSTOWJQOHNB-OYSWMMLKSA-N 467.541 3.444 10 40 JGCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(C(=O)OC)cc1 20287555 VMVCQXBVEFWKLH-MOSHPQCFSA-N 452.423 3.033 10 40 JGCB CCOC(=O)COc1ccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)cc1 33560372 GILJUMMVVDJPRW-HAHDFKILSA-N 459.502 3.497 10 40 JGCB CCOc1ccccc1NC(=O)CC(=O)N1N=C(C)[C@H](/N=N/c2ccccc2C(=O)O)C1=O 104219168 KQVVSDSWLSPFGY-VQERKYHCSA-N 451.439 3.009 10 40 JGCB CCOCCCN1C(=O)/C(=C/c2c(N3CCSCC3)nc3c(C)cccn3c2=O)SC1=S 2194349 FEKNJDYFHXBKAS-VKAVYKQESA-N 490.676 3.184 10 40 JGCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 409096838 FDCOGGYVSTURCG-WQRHYEAKSA-N 452.467 3.305 10 40 JGCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC 409192350 BDXXKNHTSSOMLH-VVBXCHJUSA-N 454.504 3.402 10 40 JGCB COc1ccc(N2CCN(C(=O)CN3CCN(c4nc(-c5ccc(F)cc5)cs4)CC3)CC2)cc1 57688557 DTABNUPKFGPCQC-UHFFFAOYSA-N 495.624 3.429 10 40 JGCB CC(=O)N[C@@H]1[C@H](NC(=O)c2ccccc2)[C@@H](N=[N+]=[N-])[C@H](CN=[N+]=[N-])O[C@H]1OCc1ccccc1 257347101 SPFNVFAVFSPQCN-UDGWLPKNSA-N 464.486 3.221 10 40 JGCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccc(C)cc4)cc3)C(=O)N=C2S1 41084141 BFJMJDWVCVGWJJ-YOUSBUAYSA-N 482.543 3.226 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 408725418 IHFGZLISJRTMHT-KZVLXBEFSA-N 491.613 3.263 10 40 JGCB Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(N4CCOCC4)o3)C(=O)NC2=S)cc1 408851603 LOBZOYAJIUNQSA-XNTDXEJSSA-N 476.352 3.018 10 40 JGCB O=C(CN1C(=O)N/C(=C\c2ccc(N3CCCCC3)cc2)C1=O)Nc1ccc(N2CCOCC2)cc1 408959884 HKOAIABOKUPQIW-MOHJPFBDSA-N 489.576 3.045 10 40 JGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(N4CCCC4)cc3OC)C2=O)cc1 409098049 PFYKVFPCGDBUCP-CPNJWEJPSA-N 465.506 3.369 10 40 JGCB COc1cccc(/C=C2/SC(=S)N(CCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C2=O)c1 2110374 CSFKLDGUXIUJHW-YAHSPCSVSA-N 495.626 3.094 10 40 JGCB COc1ccc(N2CCN(C(=O)CNc3ccccc3C(=O)NCc3ccccc3)CC2)cc1 12549288 XDEGSCUNHHFGLA-UHFFFAOYSA-N 458.562 3.386 10 40 JGCB COc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)cc2OC)cc1 41107981 IODHRKMPLDEQHN-FIMHLPJISA-N 486.531 3.111 10 40 JGCB COc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 107669109 PESPGGXLPVYQCE-RGEXLXHISA-N 487.468 3.085 10 40 JGCB COc1ccc(N2CCN(C(=O)CSc3nnc(-c4cc(OC)cc(OC)c4)o3)CC2)cc1 929515 CWQSQCOIUAFXID-UHFFFAOYSA-N 470.551 3.203 10 40 JGCB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccc2)cc1 10113328 IHWLNVPFWYPEDC-UHFFFAOYSA-N 479.602 3.343 10 40 JGCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C(=N)N21 20205806 HDEHXYIWSISCJT-MQIWZSEOSA-N 463.544 3.311 10 40 JGCB COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(C)cc1 20205985 FGDQARZDOSQZRU-HRIUQOHOSA-N 484.559 3.204 10 40 JGCB O=C(OCc1cc(=O)oc2cc(O)c(O)cc12)c1nn(-c2ccccc2)c(=O)c2ccccc12 9630669 OUVORXCNFUVMJW-UHFFFAOYSA-N 456.410 3.260 10 40 JGCB COc1ccc(N2CCN(C(=O)CSc3nnc(Cc4cccc5ccccc45)n3N)CC2)cc1 9963510 FOKIVVDWHHQGSY-UHFFFAOYSA-N 488.617 3.185 10 40 JGCB O=C(O)CN1C(=O)/C(=C/c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC1=S 12062675 IYMKOGFNHBDEKZ-ZROIWOOFSA-N 473.919 3.426 10 40 JGCB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 12419615 NBDQZRFGIPDWCV-MFOYZWKCSA-N 460.489 3.468 10 40 JGCB O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 13668733 PFSXZVDOJCWYAW-UHFFFAOYSA-N 478.014 3.281 10 40 JGCB COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1ccccc1 13893373 SZAPOJRZRVFDIL-PDGQHHTCSA-N 472.544 3.389 10 40 JGCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(N3CCN(C)CC3)nc12 26688454 RSJFNYXYASVKOM-HMMYKYKNSA-N 491.642 3.156 10 40 JGCB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(S(=O)(=O)CC)SC4=NC3=O)o2)cc1 41083898 IOWKSQQEQIMWKU-OTLVRQKTSA-N 486.531 3.135 10 40 JGCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)c(C)c1 408851509 CFWPCXMGEWFVHJ-WOJGMQOQSA-N 474.425 3.437 10 40 JGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc([N+](=O)[O-])cc(Br)c3O)C2=O)c1 408898345 LITHFLUKWVVWCH-VGOFMYFVSA-N 460.240 3.346 10 40 JGCB O=C(O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Br 408915474 VVYVBVJMZKTAPC-UUILKARUSA-N 497.660 3.371 10 40 JGCB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(/N=N\c4ccccc4)cc3)C(=O)[C@@H]12 409288161 DJOOOCAQRKAKGN-BHOLJYGJSA-N 475.457 3.367 10 40 JGCB CCOc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 33457799 NHIUGZTWXLNIHW-AHSZANDNSA-N 456.505 3.102 10 40 JGCB Cc1cccc(N2C(=O)/C(=C/c3cc(Br)c(N4CCOCC4)o3)C(=O)NC2=S)c1C 207317138 WYXIAGCCQTXHQD-XNTDXEJSSA-N 490.379 3.327 10 40 JGCB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 22735247 WECRMHDYFPTFCB-DEOSSOPVSA-N 484.044 3.074 10 40 JGCB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(Cl)c1 28208249 BKOUNRIAAVATSC-UHFFFAOYSA-N 496.029 3.107 10 40 JGCB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\C(=O)NC(=S)N(c2cccc(Br)c2)C1=O 408741079 JZXDUAKSUJOGNN-KTZOAPACSA-N 483.347 3.162 10 40 JGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 408787027 ZTTVXFKENGRLPW-OKIKLVOASA-N 470.566 3.079 10 40 JGCB Cc1cc(C(=O)COC(=O)CCNS(=O)(=O)c2cccs2)c(C)n1-c1cccc(F)c1 9584484 DULZXOLBJXUPBJ-UHFFFAOYSA-N 464.540 3.389 10 40 JGCB COCCn1c(N2CCN(c3ccc(OC)cc3)CC2)nc2sc3c(c2c1=O)CCCC3 13725662 UFUVIHMRNGFKFA-UHFFFAOYSA-N 454.596 3.318 10 40 JGCB CN1CCCc2cc([C@H](CNS(=O)(=O)c3ccc(Cl)s3)N3CCOCC3)ccc21 22735529 ZQYGVBMMCJALSX-SFHVURJKSA-N 456.033 3.136 10 40 JGCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/Nc1ccc2[nH]c(=O)[nH]c2c1 101128535 UAAFNGOHOXJAQQ-NTEUORMPSA-N 459.247 3.179 10 40 JGCB COc1ccccc1NC(=O)[C@H](/N=N/c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)C(C)=O 104124254 MAIDSLDCLFVCHE-OESNKQGASA-N 482.522 3.274 10 40 JGCB CCc1ccc([C@@H]2CC(c3ccc(O)cc3)=NN2C2=NC(=O)[C@@H](CC(=O)N[C@@H](C)C(=O)O)S2)cc1 252498455 RCLRMULGNWZCSF-SZFUDVHCSA-N 494.573 3.083 10 40 JGCB CC(=O)N[C@@H]1[C@H](NC(=O)c2ccccc2)[C@H](N=[N+]=[N-])[C@@H](CN=[N+]=[N-])O[C@H]1OCc1ccccc1 257347100 SPFNVFAVFSPQCN-CDVBAKLBSA-N 464.486 3.221 10 40 JGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)C2=O)c1 408967750 ULEKFZVQSRTZFY-LPYMAVHISA-N 492.557 3.025 10 40 JGCB C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 1597002847 LJKNKRMRFYEAAX-YFVAEKQCSA-N 458.603 3.040 10 40 JGCB CC(=O)Nc1ccc(/N=N\c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc3c2O)cc1 104221741 BCHLQGHKTNGLNI-MRCUWXFGSA-N 465.465 3.413 10 40 JGCB COCCCN1C(=O)/C(=C\c2c(N3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2286123 ACCCDSZUAUEYJD-NBVRZTHBSA-N 472.636 3.477 10 40 JGCB Nc1c(S(=O)(=O)O)cc(Nc2ccc(Cl)cc2C(=O)O)c2c1C(=O)c1ccccc1C2=O 4016165 AWDHCCPCIMVLNR-UHFFFAOYSA-N 472.862 3.386 10 40 JGCB NS(=O)(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)cc1 9310461 MATIKXFSDGBVCO-LDADJPATSA-N 485.568 3.140 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OC 408917897 CKFNRZAAIMJPIM-NTUHNPAUSA-N 465.300 3.437 10 40 JGCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 409190088 WCRWLIVQPSRLSX-WJDWOHSUSA-N 463.427 3.384 10 40 JGCB CCC(=O)Oc1ccc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)cc1OC 27519916 ZUEHXDOEWVTWGV-GDNBJRDFSA-N 492.269 3.077 10 40 JGCB COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 408591599 JRHGZHBAJBBJPB-AREMUKBSSA-N 493.629 3.242 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408871106 VXVVDWMKJPRRRC-UHFFFAOYSA-N 461.883 3.140 10 40 JGCB O=C(Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21)N1CCOCC1 409148356 PLAAOKZBIFQZGU-MTJSOVHGSA-N 478.599 3.297 10 40 JGCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(OC)cc12 20287407 QFSCTGOZGBEFQT-IWIPYMOSSA-N 491.504 3.457 10 40 JGCB Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC(C)C)cc3)C(=O)NC2=S)c(C)c1 409186943 JZHDFKMZOKNRBP-XDHOZWIPSA-N 452.532 3.465 10 40 JGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccccc3I)C2=O)cc1 408536960 YLOAAZOLMIDYKQ-SDNWHVSQSA-N 477.258 3.269 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408540712 BDGIUINVOXFTFC-XSFVSMFZSA-N 493.585 3.157 10 40 JGCB NC(=O)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 408905379 YBYKSRJBENBUBN-UHFFFAOYSA-N 457.511 3.299 10 40 JGCB CCOC(=O)N1CCN(C(=O)CCCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)CC1 9444714 ABZQLYXZYWQTLP-OBGWFSINSA-N 461.609 3.277 10 40 JGCB O=C1[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc2c(c1)OCCO2 18044861 OXUBLTFTGOCNQR-VABKMULXSA-N 481.460 3.153 10 40 JGCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4cccc(C)c4)cc3)C(=O)N=C2S1 41084154 SLHSFVBXJYUPSO-YOUSBUAYSA-N 482.543 3.226 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(OC)cc3Br)C2=O)cc1 409209019 FCFUXVVKSIRALX-RIYZIHGNSA-N 461.268 3.141 10 40 JGCB Cc1cc(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c(C)n1-c1ccccc1 9507296 SRMWUZZHHCWCIN-UHFFFAOYSA-N 499.545 3.285 10 40 JGCB COc1ccc(OC[C@@H](O)CN(C[C@@H](O)COc2ccc(OC)cc2)c2ccc(OC)cc2)cc1 16953805 NGDLDTSUOWYKTK-SZPZYZBQSA-N 483.561 3.399 10 40 JGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cccc4c3C(=O)[C@H]3C=CC=C[C@@H]3C4=O)C2=O)cc1 101125382 AZMOJJDYAQZQGS-ZAODVUJUSA-N 453.454 3.311 10 40 JGCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(O)c(I)c3)C(=O)NC2=S)c1 408962837 KASIXJWSMGRDBK-RIYZIHGNSA-N 478.311 3.445 10 40 JGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)C2=O)c1C 408967974 WDYLPIWJRCLPFN-FYJGNVAPSA-N 492.557 3.025 10 40 JGCB Cc1cc(C(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 9549491 NTLLSKHQQACUJN-NRFANRHFSA-N 459.502 3.211 10 40 JGCB CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccco2)C1=O 13646609 WTZWKTGJIHIPON-XGHPXPSOSA-N 470.576 3.180 10 40 JGCB COc1ccc(N2CCN(C(=O)CSc3nnc(C(C)C)n3Cc3ccco3)CC2)cc1 29806231 FAZZIANRPCLCAV-UHFFFAOYSA-N 455.584 3.492 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)SC2=S)cc1 409340072 QACPFANVNNQYSX-ZHZULCJRSA-N 470.572 3.339 10 40 JGCB O=C(/C=C/c1ccc(O)c(O)c1/C=C/c1ccc(O)c(O)c1)O[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 21992909 YMGFTDKNIWPMGF-WNQDSSHSSA-N 494.452 3.343 10 40 JGCB biogenic,in-vitro Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 22735250 WECRMHDYFPTFCB-XMMPIXPASA-N 484.044 3.074 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc2c(c1)OCO2 107828141 DTMAHXFSRMBOCL-NVMNQCDNSA-N 489.440 3.373 10 40 JGCB O=C(COc1ccc(Cl)cc1C=C1C(=O)NC(=O)NC1=O)Nc1ccc(Cl)c(Cl)c1 408554588 RYNZLGLUPMDUHV-UHFFFAOYSA-N 468.680 3.414 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OC 408800332 MDZWDKHGMABQSM-OQLLNIDSSA-N 458.854 3.200 10 40 JGCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1Cc1cc(C)cc(C)c1 408885237 YBSFVJWGFWFCAB-UHFFFAOYSA-N 490.297 3.257 10 40 JGCB Cc1ccc(O)c(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)c1 585271357 GHNHDZBGYIEJGR-VWLOTQADSA-N 474.985 3.253 10 40 JGCB N=C1/C(=C/c2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 41084496 BENYRLKKEQQREF-FOSZEWQZSA-N 477.546 3.053 10 40 JGCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)cc1 225324160 OOGXOQLVLSGGJY-UHFFFAOYSA-N 477.652 3.206 10 40 JGCB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccccc1Cl 408666600 RFVKLFDWUYSKEH-OPYAIIAOSA-N 466.921 3.384 10 40 JGCB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 8801548 OAVJOPKECKZLMU-DEOSSOPVSA-N 456.612 3.143 10 40 JGCB Cc1cccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c1 10113313 JJMGJYXQIACDLA-UHFFFAOYSA-N 479.602 3.343 10 40 JGCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)N2CCc3ccccc32)cc1 10188440 XAEGFGJFSRTLAX-HSZRJFAPSA-N 472.545 3.340 10 40 JGCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(O)c(I)c1 408723615 YBJKENGTWSFQQY-KPKJPENVSA-N 484.702 3.482 10 40 JGCB COc1ccccc1N1C(=O)/C(=C/c2cc(Br)cc(OC)c2OC)C(=O)NC1=S 409168725 RXAAHKMHILJLJS-UKTHLTGXSA-N 477.336 3.306 10 40 JGCB CCCCCN1C(=O)/C(=C/c2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2329447 MOOCJONDJISUOY-SDXDJHTJSA-N 471.652 3.146 10 40 JGCB COc1ccc(N([C@@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1Cl 13673298 SNFPDSAGJUUTAY-INIZCTEOSA-N 466.003 3.420 10 40 JGCB COC(=O)Cn1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c2ccccc21 13800572 JZWFGPSTPFEVGR-MFOYZWKCSA-N 498.358 3.408 10 40 JGCB CC(=O)[C@H](/N=N\c1ccc(S(=O)(=O)N[C@H]2ON[C@@H](C)[C@@H]2C)cc1)C(=O)Nc1ccc(Cl)cc1 104124168 LUVAOLFDOPQHAJ-NIGMKACTSA-N 493.973 3.184 10 40 JGCB CC1CCN(c2ccc([C@H](C)NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)CC1 225562682 WGZBGMGEEMLWEP-FQEVSTJZSA-N 471.623 3.435 10 40 JGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cc4nc(O)[nH]c4cc3N3CCCCC3)C2=O)cc1 408526152 AOQFZZJRBFHZIX-SSZFMOIBSA-N 460.494 3.146 10 40 JGCB COc1cc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)c(OC)cc1Cl 408786589 SSDRKEFBCCVGBC-WUXMJOGZSA-N 476.869 3.049 10 40 JGCB O=C(O)COc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N=C2O)cc1Br 33455760 JOYFDIFFXWCURN-QPEQYQDCSA-N 490.222 3.327 10 40 JGCB O=C(COc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1Cl)Nc1ccccc1Cl 409250488 MKHLYKBYYFOAPK-UHFFFAOYSA-N 468.680 3.414 10 40 JGCB CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCOC)C1=O 2416099 KCFATJNVOKRECL-VKAVYKQESA-N 460.625 3.477 10 40 JGCB COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccn3)C2=O)cc(OC)c1OC 6136334 XMWLPIOEGQCDCV-FOWTUZBSSA-N 459.549 3.337 10 40 JGCB CCOC(=O)Cn1cc(/C=C2\C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)c2ccccc21 9265003 VELTUONGUKAHMB-RCCKNPSSSA-N 475.501 3.230 10 40 JGCB COc1ccc(N2CCN(C(=O)CCc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)cc1 15670020 BGFOLMFNJQLOSX-UHFFFAOYSA-N 452.511 3.044 10 40 JGCB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 18181470 RZEDWAPLUVAYTG-FSSWDIPSSA-N 498.447 3.299 10 40 JGCB O=C(NCc1ccc(N2CCCC2)cc1)c1cc(S(=O)(=O)NCCN2CCCC2)ccc1Cl 62588324 STWHHNATKLIHAT-UHFFFAOYSA-N 491.057 3.244 10 40 JGCB C[C@]1(C(=O)O)N[C@H](c2cc(Br)ccc2O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 103000868 KDZAPOPKRQNTCS-ASKKUZCQSA-N 479.714 3.102 10 40 JGCB COc1cc([N+](=O)[O-])ccc1N/C=C1/C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O 408550007 CMKDWYUMCWQDHD-FLIBITNWSA-N 450.835 3.140 10 40 JGCB CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3Cl)N3CCCC3)ccc21 9135735 BGIPPCHFBHQJEX-QHCPKHFHSA-N 455.002 3.292 10 40 JGCB CCC1=NN2C(=N)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)C(=O)N=C2S1 9439088 VGNJPHVHOUXVPI-WLGQYLEDSA-N 470.532 3.492 10 40 JGCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)Cn3cnc4ccccc4c3=O)c2C)c1 9768097 FEVCFWGKFXYLEK-UHFFFAOYSA-N 473.485 3.260 10 40 JGCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4cccc(C)c4)cc3)C(=O)N=C2S1 41084089 XLETVAOFHGPTBO-FBIWUZAXSA-N 498.586 3.464 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OC 408934298 ACVNKLNUYONSPA-NTUHNPAUSA-N 476.239 3.041 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(=O)O 409046253 JPBHDIDVYMCXRX-WUXMJOGZSA-N 479.272 3.440 10 40 JGCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O)Nc1cccc(F)c1 409241947 PKGWTRGWINBRGQ-YBFXNURJSA-N 486.481 3.246 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409256014 NILVFEGEXXIPKR-UHFFFAOYSA-N 487.965 3.287 10 40 JGCB CN(C)CC(C)(C)CNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1616044684 RTXUYCPCBOIPIC-SANMLTNESA-N 473.621 3.492 10 40 JGCB COc1ccccc1OCCOc1c(Cl)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC 8843095 XGZKTWHADDFKHY-UHFFFAOYSA-N 474.897 3.249 10 40 JGCB O=C1[C@@H]2[C@@H](c3ccccc3O)N[C@@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C(=O)N1c1ccccc1 13571679 WQBAYKGKHMVHQK-FLSMRUOLSA-N 481.508 3.390 10 40 JGCB COCCN1C(=O)/C(=C\c2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)SC1=S 26840775 AYDAVNMZAZGFJZ-GHRIWEEISA-N 469.544 3.343 10 40 JGCB COC(=O)C1=CN(C2CC2)c2cc(N3CCC(N4CCCCC4)CC3)c(F)cc2S1(=O)=O 33140730 JSTPBQSWNNTBNV-UHFFFAOYSA-N 463.575 3.051 10 40 JGCB O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-])Nc1ccccc1F 33720811 PCJDJRPFXSYEFE-LGMDPLHJSA-N 476.420 3.213 10 40 JGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1Br 408802078 CRKNMKUTUQALEY-XNTDXEJSSA-N 473.279 3.301 10 40 JGCB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Br 408914153 XIDGECDOBPPBRR-OVCLIPMQSA-N 491.269 3.197 10 40 JGCB COc1cc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(OC)c1OC 12590933 MILXGJNELFHKTO-UHFFFAOYSA-N 475.453 3.283 10 40 JGCB O=C(c1cc2ccccc2c(CN2CCN(Cc3cccs3)CC2)c1O)N1CCOCC1 22806269 NPRZIGDGYKJZSS-UHFFFAOYSA-N 451.592 3.397 10 40 JGCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)C(=O)N=C2S1 41084039 KLQJSOUABZFWRE-GJXXPDGXSA-N 484.559 3.286 10 40 JGCB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)/C1=C\c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408537266 UVTIVBNXGOQRLL-RTNSUPHESA-N 475.457 3.464 10 40 JGCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 409189347 JRZIZANIMZWUSO-UDWIEESQSA-N 489.509 3.322 10 40 JGCB O=c1c(-c2ccc(Br)cc2)coc2c(CN3CCN(CCO)CC3)c(O)ccc12 20358498 LYMAOOVOHKCMBK-UHFFFAOYSA-N 459.340 3.038 10 40 JGCB biogenic COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4ccc(S(N)(=O)=O)cc4)C3=O)n2)cc1 100524986 GFTVOBFXJOFBRF-FTGFMQHASA-N 470.536 3.341 10 40 JGCB CC(=O)NCCc1c(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)[nH]c2ccccc12 12662678 QFMYNYBIAPWLCY-UYRXBGFRSA-N 460.559 3.295 10 40 JGCB biogenic COC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 19584896 JBGYSLNZBCIAIR-DELVEFKNSA-N 469.541 3.271 10 40 JGCB COc1ccccc1N1C(=O)C(=CNCCN2CCCCC2)C(=O)N(c2ccccc2OC)C1=S 19949172 GCFJFOPERVRAPO-UHFFFAOYSA-N 494.617 3.328 10 40 JGCB Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 34697551 QEUQKNVGDCEVEK-STZFKDTASA-N 472.457 3.382 10 40 JGCB CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)c2ccccc21 59596054 AOQNRIBYYVRAKU-WOJGMQOQSA-N 493.541 3.053 10 40 JGCB COC(=O)C[C@H](c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12)c1cnn2cccnc12 96222832 UHUGRFHMIFGNBV-AWEZNQCLSA-N 473.441 3.315 10 40 JGCB biogenic O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)/C1=C\c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408537267 UVTIVBNXGOQRLL-YIOBWQQESA-N 475.457 3.464 10 40 JGCB CC(=O)NCCc1c(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)[nH]c2ccccc12 2397961 LNVWJVOPVGSOCS-PDGQHHTCSA-N 450.882 3.166 10 40 JGCB COc1ccc(-n2c(C)cc(C(=O)CN3CCN(CC(=O)N4CCCCCC4)CC3)c2C)cc1 84080277 GEEMGNGUSQWRAY-UHFFFAOYSA-N 466.626 3.306 10 40 JGCB CCOc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)O)cc3)C(=O)NC2=S)cc1 409228949 HOIGZYOKHSBYAF-XSFVSMFZSA-N 461.499 3.406 10 40 JGCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O 409237798 JOEHDYDBUFFDLH-DEDYPNTBSA-N 459.506 3.338 10 40 JGCB O=C(O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1Cl 9311452 ONMVHFAUIFXUBN-QPEQYQDCSA-N 495.738 3.397 10 40 JGCB O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9788577 ZKLMIDAGIJGMMW-UHFFFAOYSA-N 499.447 3.254 10 40 JGCB COC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 19584904 GNHJRZZAACCNPM-DELVEFKNSA-N 487.531 3.410 10 40 JGCB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)cc4)C3)CC2)cc1 19860876 UMEKTYWPQGXQFK-HXUWFJFHSA-N 492.041 3.239 10 40 JGCB O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 20460858 IPLMMDKSBBNSLO-UHFFFAOYSA-N 492.041 3.035 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1Oc1ccc([N+](=O)[O-])cn1 34909771 RRBPOIHEQBKNOR-SXGWCWSVSA-N 477.389 3.160 10 40 JGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3nc4ccc(OCC)cc4s3)C2=O)cc1 408534980 RZUGPDVCVLZIIA-FOWTUZBSSA-N 452.492 3.673 10 40 JGCB COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 409003979 MZYFNCCMEDJIEO-HKWRFOASSA-N 471.469 3.379 10 40 JGCB COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 9138210 MNURWUGIYKHUNE-VWLOTQADSA-N 464.610 3.037 10 40 JGCB CN(c1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 10113387 QXBASYARQQTRSD-UHFFFAOYSA-N 465.575 3.278 10 40 JGCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 409105587 LGNOPPPAEXJXPL-LDADJPATSA-N 451.548 3.444 10 40 JGCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)OCCN(C)C)C2=O)cc1 8820125 NLVHPCARYOXZKE-SDXDJHTJSA-N 464.609 3.340 10 40 JGCB O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13764137 GJBKHERUHLYHAT-HKBOAZHASA-N 468.421 3.290 10 40 JGCB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 13898750 QAOBRXVTAHUFOI-SXGWCWSVSA-N 474.472 3.108 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3)C2=O)cc1 409044005 AJWXSVJJRQKJNI-RCCKNPSSSA-N 471.469 3.379 10 40 JGCB COCCN1C(=O)/C(=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 2417935 XLKUSNZHJVNKNV-VBKFSLOCSA-N 457.508 3.474 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)O)c3)C(=O)NC2=S)c(OC)c1 4402669 ZOPCTLHQWWISFK-LDADJPATSA-N 477.498 3.024 10 40 JGCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)c(Br)cc1O 9263182 VPCVTIWFOIYRQX-ZSOIEALJSA-N 477.336 3.393 10 40 JGCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCNc4ncccn4)c4ccccc34)[C@H]21 1565525071 ZYPGHABKQLNXRB-SANMLTNESA-N 495.587 3.197 10 40 JGCB COc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9138416 PGIKYEAHDMCDGZ-XMMPIXPASA-N 464.610 3.037 10 40 JGCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4)cc3)C(=O)N=C2S1 41084066 PAKDZQGGLVWLCL-FJRYHWHXSA-N 484.559 3.156 10 40 JGCB Cc1cc(C(=O)COC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c(C)n1-c1ccc2c(c1)OCO2 3365615 YRJXVQBSBLQWNS-UZUQRXQVSA-N 456.520 3.003 10 40 JGCB Cc1ccc(N2C(=O)/C(=C\c3cc(Br)c(N4CCOCC4)o3)C(=O)NC2=S)cc1C 16312192 SMMSVMPIUVFHRY-YBEGLDIGSA-N 490.379 3.327 10 40 JGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(I)o1 34794933 BMKKPELLCRNWOX-POHAHGRESA-N 459.037 3.108 10 40 JGCB CCN(CC)c1ccc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)c(O)c1 847541 QOVNZWROVBIKQY-GZTJUZNOSA-N 477.302 3.304 10 40 JGCB CN1C(=O)C(=Cc2cc([N+](=O)[O-])c(N3CCCCC3)cc2N2CCCCC2)C(=O)N(C)C1=O 8435145 BZTVQTUKIKNMBP-UHFFFAOYSA-N 455.515 3.009 10 40 JGCB COc1ccc(N2CCN(CC(=O)Nc3ccccc3C(=O)NCc3ccccc3)CC2)cc1 58172405 IHNVNKBZCLVIMJ-UHFFFAOYSA-N 458.562 3.386 10 40 JGCB O=[N+]([O-])c1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)cc1 263608657 UFCRMQZBTRPTQR-UHFFFAOYSA-N 469.409 3.068 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1OC 408771236 DTAONJIMYFRSKX-MDWZMJQESA-N 460.870 3.431 10 40 JGCB COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl 408856272 JOUUOUKARIHUNK-AWNIVKPZSA-N 467.236 3.351 10 40 JGCB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O 409273821 LQFOZEOMCHHZLZ-MOSHPQCFSA-N 498.517 3.115 10 40 JGCB CCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCN(Cc1ccccc1)C3 8686987 ZZTPTGRWOLNZRJ-UHFFFAOYSA-N 452.580 3.450 10 40 JGCB COc1ccc(N2CCN([C@H](c3ccc(Cl)cc3)c3nnnn3C[C@@H]3CCCO3)CC2)cc1 13504415 KBJVBWWUODRBPM-XZOQPEGZSA-N 468.989 3.426 10 40 JGCB O=C1[C@H]2[C@H](c3ccccc3F)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 100414385 NNYTZILOBOTYDW-HKBOAZHASA-N 486.411 3.429 10 40 JGCB CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)C2=O)cc1 8660799 ATXNEARNPPRMRP-WJDWOHSUSA-N 458.312 3.153 10 40 JGCB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3c(O)c(Cl)cc(Cl)c3O)CC2)cc1 12852497 SPNCTYVZAILYHG-UHFFFAOYSA-N 489.377 3.088 10 40 JGCB CN(C)c1ccc(/C=C2\SC(=S)N(NC(=O)Cn3c(=O)sc4ccccc43)C2=O)cc1 32594778 GPBHIAAWERLUCH-BOPFTXTBSA-N 470.601 3.062 10 40 JGCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(C(N)=O)cc4)c3C)C2=O)cc1 409021299 AIYVZWYFGXWNOR-LPYMAVHISA-N 471.517 3.033 10 40 JGCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(C)cc3Br)nnc2n1 3246024 KDQOBENONQVOHD-UHFFFAOYSA-N 465.381 3.185 10 40 JGCB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NNC(=S)Nc1cccc(Cl)c1 9441477 UDBMKVJCHTWVQQ-UHFFFAOYSA-N 455.949 3.346 10 40 JGCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1Br 10113566 WLYCFSYFPALAOO-UHFFFAOYSA-N 466.401 3.132 10 40 JGCB Cc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 20206364 HBWXKESFHQDEGY-NQDRLLCNSA-N 461.956 3.369 10 40 JGCB COc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc(I)c1O 38173747 UBILEPUEKIMIKR-VZUCSPMQSA-N 468.203 3.101 10 40 JGCB COC(=O)C1=CN(C2CC2)c2cc(N3CCN(C4CCCCC4)CC3)c(F)cc2S1(=O)=O 33140735 DFPKFNWPTITJDR-UHFFFAOYSA-N 463.575 3.051 10 40 JGCB COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCCC3=CCCCC3)c3ccco3)CC2)cc1 56946100 WBKWNBGFUXDGEO-XMMPIXPASA-N 480.609 3.274 10 40 JGCB COc1ccc(N2CCN(C(=O)c3cn4c5c(cc(Br)cc5c3=O)CC4)CC2)cc1 33089009 MIHJVGKLJCKGSS-UHFFFAOYSA-N 468.351 3.291 10 40 JGCB CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(Br)cc3)C(=O)N=C2S1 41085294 GGMNPNZNRPPCHT-NOOFILGISA-N 455.359 3.097 10 40 JGCB C[C@@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 54360674 KHYXNTTUKDRWGZ-JFENUBAZSA-N 456.545 3.070 10 40 JGCB O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100744858 NXLKSHPSVGTPRB-CXJPLEHTSA-N 471.629 3.147 10 40 JGCB CCOC(=O)[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 107746547 OBVXUMKUWMUROD-ZENNRRHLSA-N 459.842 3.040 10 40 JGCB COc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)SC1=S 408536123 YEOZCYIUVWAVAL-MFOYZWKCSA-N 456.505 3.200 10 40 JGCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2ccc(O[C@@H](C)C(=O)O)cc2)C1=O 408843933 BFZGQQISJHVNPY-SEJMYLSOSA-N 473.279 3.276 10 40 JGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 408853136 LWMHOPFVZNYLCR-NTEUORMPSA-N 480.702 3.199 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1Cc1ccccc1F 408867130 KACZPKLHQJSSOJ-UHFFFAOYSA-N 494.260 3.169 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1cccc(F)c1 408897039 PXFHTZGCOLTJIR-UHFFFAOYSA-N 479.327 3.480 10 40 JGCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 409009985 CUNFPSWTGQTJIO-WSDLNYQXSA-N 493.560 3.480 10 40 JGCB Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc2c(c1)OCO2 409212295 POOPHWZTZQXNLG-KEBDBYFISA-N 476.464 3.493 10 40 JGCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1OCC 409389481 BHIQHLRDGQBXCZ-NTEUORMPSA-N 460.284 3.308 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)c2C)cc1 9716157 CFGROUDXPQXTAZ-CYFREDJKSA-N 470.547 3.061 10 40 JGCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4cc(Cl)ccc4OC)C(=O)[C@H]3[C@@H](C(C)=O)N21 101486111 BTGSXHANEPLYNO-BRKWEVRTSA-N 452.894 3.336 10 40 JGCB CCCN1C(=O)/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 9463754 XZLHBKLWNJUWMF-XIDKLXSXSA-N 466.588 3.451 10 40 JGCB COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2)cc1 107582752 CWUUJDILKDNDDL-HMAPJEAMSA-N 487.468 3.085 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccn4)c3C)C(=O)NC2=S)c(OC)c1 409095513 HRBAVOMQYSJLOL-LDADJPATSA-N 462.531 3.338 10 40 JGCB O=C1/C(=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2ccccc2N1Cc1ccc(F)cc1 13810286 DZJQHJKGXTXINW-IJYGLTAASA-N 488.587 3.131 10 40 JGCB CCOc1ccc(N2C(=O)/C(=C\Nc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)N=C2S)cc1 102491883 LYYRIKBASKHCNG-RGEXLXHISA-N 477.546 3.038 10 40 JGCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 2280032 BBTVPHMXRHXXOW-STZFKDTASA-N 497.532 3.323 10 40 JGCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccccc4Cl)cc3)C(=N)N21 20206189 VDUHDTLPVTULLI-VUBPNFDHSA-N 488.934 3.180 10 40 JGCB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 9165362 RGSITOLLFFTQGC-RUZDIDTESA-N 477.609 3.309 10 40 JGCB Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 409147098 WEYANAYUNSIKQI-HZHRSRAPSA-N 474.517 3.186 10 40 JGCB O=C(O)c1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)cc1 8746743 VQWKJYPOKYYISP-AWEZNQCLSA-N 464.565 3.035 10 40 JGCB COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)c(C)c2)C1=O 96234509 SJQMADRRDHYORY-LDADJPATSA-N 471.966 3.325 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(Br)cc1O 409193790 LUGVKJMDBFYODY-NTUHNPAUSA-N 491.319 3.083 10 40 JGCB Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c(C)c1 21887107 MQXDQKPKUSHHHA-XMMPIXPASA-N 464.610 3.122 10 40 JGCB CN1C(=O)C(=Cc2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C(=O)N(C)C1=S 32192947 FRWIWLVNGUXWBG-UHFFFAOYSA-N 450.495 3.018 10 40 JGCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(O)c(I)c3)C(=O)NC2=S)c1 408905377 YBLZNMCCZFGFPL-RIYZIHGNSA-N 494.310 3.227 10 40 JGCB Cc1cc(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c(C)n1-c1ccccc1F 12608635 GXPUUSPYSCFINJ-UHFFFAOYSA-N 457.527 3.062 10 40 JGCB Cc1cc(C(=O)CSc2ccccn2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 25250543 LSRHDQFPRAOQBM-UHFFFAOYSA-N 471.604 3.485 10 40 JGCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC)c(C(=O)O)c3)C2=O)cc1OC 409213229 SUYXWNFXTBCHLX-SFQUDFHCSA-N 468.462 3.247 10 40 JGCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409409271 UYABLTLHNYIHBS-KGENOOAVSA-N 457.486 3.483 10 40 JGCB COc1ccc(N2CCN(C3=N[C@H](c4ccc(Cl)cc4)n4c(nc(C)cc4=O)N3)CC2)cc1 8993661 AXPFDQTWMINAEL-QFIPXVFZSA-N 464.957 3.364 10 40 JGCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(N3CCOCC3)nc12 16733306 RJXXMZCRTFLLAQ-JXAWBTAJSA-N 470.620 3.373 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCC(=O)Nc1ccccc1F 35128695 UTQIUHSDXKMHIW-PDGQHHTCSA-N 491.475 3.322 10 40 JGCB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2C)C1=O 408740760 HYTOQEMRXIUGHJ-KTZOAPACSA-N 497.374 3.471 10 40 JGCB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 408783844 RQTYPNKWRZMFHZ-WQRHYEAKSA-N 471.307 3.190 10 40 JGCB COc1ccc2c3c(n(C[C@H](O)COCc4ccco4)c(=O)c2c1OC)-c1ccccc1C3=O 604406180 XZSJNRDRTLIAHY-HNNXBMFYSA-N 461.470 3.401 10 40 JGCB biogenic COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1O 16194976 OPXRHKNVHULYIC-WUXMJOGZSA-N 451.660 3.483 10 40 JGCB Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1C 20206149 RQMPTDYOVXRBDO-OXMFYWCOSA-N 455.565 3.332 10 40 JGCB COc1ccc(N2CCN(C(=O)CCn3nc(-c4cccc(Cl)c4)ccc3=O)CC2)cc1 41252003 DYHJASZZICSMCB-UHFFFAOYSA-N 452.942 3.311 10 40 JGCB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 409139972 CGWXYWSUSJSVPK-MOSHPQCFSA-N 471.510 3.346 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 409263070 GTNOCUHBSSHHNG-UHFFFAOYSA-N 494.356 3.324 10 40 JGCB O=C1O[C@@H](C2(Br)C(=O)c3ccccc3C2=O)C(Br)=C1Br 1066195 CNOZLMUQPKVUEE-LLVKDONJSA-N 464.891 3.126 10 40 JGCB CCN1C(=O)/C(=C\c2cn(CCOC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 8778062 ZPVFYDFGSHTULK-KQWNVCNZSA-N 495.601 3.216 10 40 JGCB CCN(CC)CCOC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 9273437 QMEIWISDTZWHIS-HMMYKYKNSA-N 484.940 3.417 10 40 JGCB COc1ccccc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 10113327 WJOBPMCALQVJEI-UHFFFAOYSA-N 495.601 3.044 10 40 JGCB CNC(=O)[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c2ccccc2O1 12974458 XYQXHWVCSPRCAB-QHCPKHFHSA-N 453.502 3.147 10 40 JGCB COc1cncnc1NS(=O)(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc1 95471046 SKNWFWRCBHJSML-UDWIEESQSA-N 478.534 3.313 10 40 JGCB O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2cc(Br)ccc2Br)o1 409120261 WAXVOLKVTDKHLU-UHFFFAOYSA-N 456.115 3.386 10 40 JGCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(Br)c(N2CCOCC2)o1 6974464 FNKBMWHPASNBQE-ZROIWOOFSA-N 480.702 3.199 10 40 JGCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1OC 8819383 AJLBGRPAGSZHKW-IUXPMGMMSA-N 475.504 3.158 10 40 JGCB O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NCCCN1CCOCC1 8820510 KJUNFSMLMOQNCJ-JDYKJWHWSA-N 459.637 3.063 10 40 JGCB N=C1/C(=C\c2ccc(Br)o2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 9209894 KIRXMUFVNYRVOK-IEIWSAMDSA-N 450.318 3.064 10 40 JGCB CCOCCCN1C(=O)/C(=C/c2c(NCCCOC)nc3c(C)cccn3c2=O)SC1=S 13581941 LQOROACUAWYGOM-VKAVYKQESA-N 476.624 3.079 10 40 JGCB Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3\SC(=S)N(C)C3=O)c(=O)n2c1 19994517 JYCRCEHTVNFVRL-ZHZULCJRSA-N 491.642 3.156 10 40 JGCB CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@@H]1/N=N\c1ccc(NS(=O)(=O)c2nccs2)cc1 104090489 DYUCYIHLTBLINY-HNHDZATFSA-N 498.546 3.362 10 40 JGCB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(Br)c3)CC2)c([N+](=O)[O-])c1 109033241 ZRPPYJBXFJCKTF-UHFFFAOYSA-N 450.289 3.337 10 40 JGCB COc1ccc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1 408528110 FFKGMKNJVXPALH-XNTDXEJSSA-N 487.310 3.363 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 408695310 RNBMCUICUMRJRR-DEDYPNTBSA-N 477.517 3.426 10 40 JGCB CC[C@@H](C)[C@H](NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21)C(=O)OC 1565524871 VRLFAWYUUNPJPR-JWFGRAFASA-N 488.588 3.492 10 40 JGCB COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(C)(=O)=O 13669084 XSZFCCUDZKAWBK-UHFFFAOYSA-N 451.976 3.031 10 40 JGCB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3c(O)ccc4ccccc34)CC2)cc1 14359455 HKWOUBNZWURFOC-UHFFFAOYSA-N 454.548 3.229 10 40 JGCB COc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccc(Br)cc3C)C1=O)OCO2 409095758 IQNUMMWSYZDGFT-MLPAPPSSSA-N 459.252 3.161 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(Br)c1OCC 409389502 BPYRVPJIAFHTFB-NTEUORMPSA-N 460.284 3.308 10 40 JGCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)c2C)cc1C 13031585 FYYVWYSCPRWDDF-UHFFFAOYSA-N 459.502 3.140 10 40 JGCB O=C(Nc1ccccc1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccs1 40151757 GBKDCQBWRYMZPN-UHFFFAOYSA-N 469.588 3.165 10 40 JGCB Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)cc1C 41077907 OIAFVUNXELEGEM-GLNJVZSPSA-N 455.565 3.332 10 40 JGCB COc1ccc(N2CCN(C(=O)Cn3c(Nc4ccc(F)c(C)c4)nc(C)cc3=O)CC2)cc1 57507810 AXIBSSHMOWSGBV-UHFFFAOYSA-N 465.529 3.100 10 40 JGCB O=C(Nc1nnc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)s1)c1ccccc1 223887458 JTRDIXUTUGZBLF-UHFFFAOYSA-N 457.581 3.259 10 40 JGCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 409005224 SLEMGMYDRXIYKL-HZHRSRAPSA-N 499.523 3.407 10 40 JGCB CC(=O)Nc1ccc(/N=N/c2c(N)ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1 4523127 QQXVTEKGAYZFAX-QURGRASLSA-N 464.481 3.289 10 40 JGCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 9972908 KIZCYJLVIYTIMG-WQRHYEAKSA-N 467.474 3.376 10 40 JGCB COc1ccc(N2CCN(C(=O)Cc3c(C)c4ccc(OC)c(OC)c4oc3=O)CC2)cc1 13691890 KIDNQLOQRYDONA-UHFFFAOYSA-N 452.507 3.019 10 40 JGCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2cccs2)N2CCc3ccccc3C2)cc1 36683774 TYLASPVLYWSTGG-XMMPIXPASA-N 462.619 3.346 10 40 JGCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NCCc3ccc(O)c(O)c3)C2=O)cc1 54360626 TXODHKQHDDXDDQ-ZHZULCJRSA-N 472.588 3.447 10 40 JGCB COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(OC)c(C)c3)c3cccnc3)CC2)cc1 56896388 RMOTUDMDSNTNBN-RUZDIDTESA-N 496.633 3.249 10 40 JGCB FC(F)(F)c1cc(N2CCOCC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225956405 PERVPWIOXDCCMN-UHFFFAOYSA-N 466.533 3.419 10 40 JGCB CCc1ccccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408653638 ACWDTOBFXPORHW-FUDKSRODSA-N 460.530 3.293 10 40 JGCB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cn1c(=O)/c(=C/c2ccc(N(C)C)cc2)s/c1=C/C(=O)C(C)(C)C 585139636 XTUCJUIMBLKLHX-HAFXXGAOSA-N 497.705 3.141 10 40 JGCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)CCn3nc(C)cc3C)c2C)c1 8727009 VANYHSVHUYJHLV-UHFFFAOYSA-N 495.532 3.297 10 40 JGCB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)N(C)C)ccc21 13008657 XTZZQCRECQDJFD-FQEVSTJZSA-N 464.488 3.325 10 40 JGCB O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\C=C\c1cccc([N+](=O)[O-])c1 32109788 SSOVBTIMWNZZRO-HYLYESJESA-N 461.215 3.217 10 40 JGCB COC(=O)C[C@H](c1cnn(C(C)C)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96114012 AOSOYEDHNIHJED-CQSZACIVSA-N 496.472 3.460 10 40 JGCB biogenic CC(=O)[C@H](/N=N/c1ccc(S(=O)(=O)N[C@H]2ON[C@@H](C)[C@H]2C)cc1)C(=O)Nc1ccc(Cl)cc1 104124162 LUVAOLFDOPQHAJ-JDSKLHNKSA-N 493.973 3.184 10 40 JGCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408851544 LAKVTHQEEKQXLM-UDWIEESQSA-N 473.441 3.157 10 40 JGCB COc1cc(C=C2C(=O)OC(C)(c3ccccc3)OC2=O)cc(I)c1O 977310 CLHUJUKDEFFCSJ-UHFFFAOYSA-N 466.227 3.362 10 40 JGCB Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c(/C=C3\SC(=S)N(C)C3=O)c(=O)n2c1 1450046 UBGGIEXWMWIGKX-RGEXLXHISA-N 477.615 3.161 10 40 JGCB COCCN(CCOC)Cc1c(O)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 2128464 XAPTVWYSJLMCRI-UHFFFAOYSA-N 451.475 3.367 10 40 JGCB biogenic Cc1cc(N(CCO)CCO)ccc1C(c1ccccc1)c1ccc(N(CCO)CCO)cc1C 4523065 VEIGYVIYTMCQKW-UHFFFAOYSA-N 478.633 3.066 10 40 JGCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12 9461824 KUYQNCUNDTXYKQ-XMHGGMMESA-N 495.605 3.300 10 40 JGCB CCn1c(-c2ccccc2)cnc1SCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12627446 KTDHTGPGJZPISO-UHFFFAOYSA-N 484.647 3.336 10 40 JGCB Cc1cc(C(=O)OCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 16685161 JKSWUEANBLOSAU-QHCPKHFHSA-N 480.586 3.467 10 40 JGCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 33776379 YWARXQPFURVDLW-UNOMPAQXSA-N 472.453 3.495 10 40 JGCB Cc1ccc(CN(C)CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 95927138 QRHCLRJSQGQLSN-MTJSOVHGSA-N 483.615 3.173 10 40 JGCB COc1cc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)ccc1OCC(N)=O 9189243 XNJJBYWVTUKNNZ-NDENLUEZSA-N 486.981 3.005 10 40 JGCB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 22735309 KKHQSDKVEDQISA-DEOSSOPVSA-N 484.044 3.074 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1OC 27530642 LSYHTNJCCDIPAR-RCCKNPSSSA-N 483.615 3.254 10 40 JGCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 408770948 CROGGNVJTVHYTA-IQDKPADRSA-N 476.529 3.238 10 40 JGCB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409084515 MFORCWYPQCMADM-UHFFFAOYSA-N 467.381 3.329 10 40 JGCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)c1 223148711 WOUIDHAEHGTZBX-LOSJGSFVSA-N 476.650 3.497 10 40 JGCB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(Cl)cc1 408661296 MIKIRXXYBMOIOR-NJYVYQBISA-N 466.921 3.384 10 40 JGCB O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 13301943 ABIRCORJMDMRBZ-LWLPBDFMSA-N 450.519 3.243 10 40 JGCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12 13774889 ZMOMTJLGTKTMSG-LAHQVWKISA-N 458.609 3.226 10 40 JGCB O=C(O)CCC(=O)NCCc1c(/C=C2\C(=O)N(C3CCCCC3)C(=S)N=C2O)[nH]c2ccccc12 17194631 ZOISWCAJCZNIPV-JXAWBTAJSA-N 496.589 3.491 10 40 JGCB COc1ccc(N2CCN(C(=O)Cc3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)CC2)cc1 225981747 ATRPXLKWIWSTJE-UHFFFAOYSA-N 479.602 3.412 10 40 JGCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nnc(C)s3)C2=O)cc1 2986478 YJXIFSJMQBGVTC-UVTDQMKNSA-N 462.578 3.253 10 40 JGCB CCN(CC)c1ccc(CN(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1 4301536 LPPBGCUSIUPEPS-OAQYLSRUSA-N 490.622 3.388 10 40 JGCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1O 15012447 MITRYAAFUWVPCV-SDQBBNPISA-N 451.660 3.483 10 40 JGCB COC(=O)COc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 107884820 POPYYHZZARIZES-ZSOIEALJSA-N 465.687 3.116 10 40 JGCB Cc1cc(N/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)c([N+](=O)[O-])cc1Br 408539860 ZNWDLYWMXLVKFP-SDNWHVSQSA-N 473.283 3.283 10 40 JGCB CCc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 408665751 QEIXDEANYPIWKI-ZRBLBEILSA-N 460.530 3.293 10 40 JGCB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 408873832 WDTWPADSCVKAMP-STZFKDTASA-N 450.491 3.217 10 40 JGCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(OC)c(OC)cc3OC)SC2=S)cc1 409328247 QONSWPRJMZVTEX-VCHYOVAHSA-N 460.533 3.267 10 40 JGCB O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)N1CCOCC1 409342645 DZWFUZXSOZFXPC-ZHZULCJRSA-N 454.573 3.326 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(I)c1O 14133059 XNFRNBLFVQMOLZ-MDWZMJQESA-N 492.269 3.370 10 40 JGCB Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c(C)c1 21887109 MQXDQKPKUSHHHA-DEOSSOPVSA-N 464.610 3.122 10 40 JGCB Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c1C 41077689 DQAOTRIFIACOTD-OXMFYWCOSA-N 455.565 3.332 10 40 JGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O)c(I)c2)C1=O 408964937 UEBVENLRTPWPCU-UKTHLTGXSA-N 462.243 3.226 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(O)c(OC)c3)C(=O)NC2=S)c(OC)c1 409101752 QYWLMTKQLWVQGH-WUXMJOGZSA-N 493.335 3.012 10 40 JGCB O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21)NC1CCCC1 409141452 NYFSATFZBNSWEO-HYARGMPZSA-N 470.529 3.362 10 40 JGCB CCN(CC)c1ccc(CN(C(=O)c2cc(=O)c3ccccc3o2)[C@@H]2CCS(=O)(=O)C2)cc1 8612302 KAGLUGXDQRXMAI-HXUWFJFHSA-N 468.575 3.469 10 40 JGCB COc1ccc(N2CCN(C(=O)COc3ccccc3C(=O)NCc3ccccc3)CC2)cc1 12557904 FDSYMTRICWKWHP-UHFFFAOYSA-N 459.546 3.353 10 40 JGCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cc(OC)c(OC)c(OC)c1 20287444 PDEQVNGWDMTDSU-BKUYFWCQSA-N 484.465 3.272 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccc2c(c1)OCO2 107958569 PCPNJQSOPHAJID-GRSHGNNSSA-N 474.469 3.473 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(F)cc3)C(=O)NC2=S)c(OC)c1 409094798 GEUQLZIMOIEGBB-LDADJPATSA-N 451.479 3.465 10 40 JGCB O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13764131 GJBKHERUHLYHAT-QHAWAJNXSA-N 468.421 3.290 10 40 JGCB COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)cc(OC)c1O 16606772 ZAVYQNBPBYVYTI-QGZVFWFLSA-N 462.300 3.439 10 40 JGCB Cc1cc(C(=O)OCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 16685160 JKSWUEANBLOSAU-HSZRJFAPSA-N 480.586 3.467 10 40 JGCB COc1ccc(CNC(=O)CSc2nccnc2N2CCN(c3ccc(OC)cc3)CC2)cc1 33292960 RQVNGAZWSGEGQB-UHFFFAOYSA-N 479.606 3.229 10 40 JGCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cc2[nH]c(O)nc2cc1Br 408526441 BJEMXVYZQUXDHS-YFHOEESVSA-N 476.674 3.263 10 40 JGCB Cc1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1C 408665924 QWLSRFNQAXDBEC-XPWALMASSA-N 460.530 3.348 10 40 JGCB CN1CCCc2cc([C@@H](CNC(=O)CN3C(=O)c4ccccc4C3=O)N3CCCCC3)ccc21 9138014 BHNBGDSPFQMBFS-XMMPIXPASA-N 460.578 3.008 10 40 JGCB C[C@@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9506737 RHFFHLRBCSYPJE-CQSZACIVSA-N 492.509 3.018 10 40 JGCB COCCCNC(=O)Cn1cc(/C=C2\SC(=S)N(C)C2=O)c2cc(Br)ccc21 409126734 FTHIBKCKHRDUGX-PXNMLYILSA-N 482.425 3.388 10 40 JGCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)OC 409331578 ONKOWCPIEBXXKV-GHXNOFRVSA-N 493.344 3.073 10 40 JGCB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1C 16695748 MEYROOGYIQFWAN-GOSISDBHSA-N 494.997 3.091 10 40 JGCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1cc(OC)c(OC)cc1C(=O)OC 20287722 QMAYDKJBHXPUIM-UCQKPKSFSA-N 497.504 3.151 10 40 JGCB O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc2c(c1)OCO2 169366943 RXBBADNPSHEPGM-BHDDXSALSA-N 467.433 3.110 10 40 JGCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)o1 408951007 KRDIMSIPDSGVDA-LICLKQGHSA-N 460.398 3.348 10 40 JGCB O=C1N=C(N2CCN(C3=NC(=O)/C(=C\c4ccc(O)cc4)S3)CC2)S/C1=C/c1ccc(O)cc1 6975049 WUHXRNHEAQBIAR-IWGRKNQJSA-N 492.582 3.356 10 40 JGCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(I)c(O)c([N+](=O)[O-])c1 58865711 HBKBJFWAMVSTNZ-UHFFFAOYSA-N 459.192 3.049 10 40 JGCB COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)CC2)cc1 9539815 UKWVUXKINKMTDB-UHFFFAOYSA-N 457.596 3.222 10 40 JGCB COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C(F)(F)F)ccc1OCCO 13914035 HDBZSTPLGPHPGX-DHDCSXOGSA-N 450.369 3.113 10 40 JGCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(O)[nH]c(=O)n(-c2ccc(Br)c(C)c2)c1=O 677814 GZEVJDCUIPNENX-WJDWOHSUSA-N 481.306 3.108 10 40 JGCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 20287985 MNQGCNSNTNBLJL-MOHJPFBDSA-N 490.585 3.200 10 40 JGCB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 32910952 WNKDMGKNCHGTIS-NLFFAJNJSA-N 497.592 3.228 10 40 JGCB CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)cc1 409209772 IOXBFCORRKBXFN-RCCKNPSSSA-N 466.563 3.264 10 40 JGCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1OC 8819388 UFAJHNCHRWPGMK-YVLHZVERSA-N 458.517 3.242 10 40 JGCB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccc(N(C)C)cc1 9262381 IRSLNKGLUALEAZ-FGZHOGPDSA-N 450.539 3.254 10 40 JGCB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1N1CCOCC1 33616722 JEZFFFKOOIHXOY-HAHDFKILSA-N 477.586 3.453 10 40 JGCB O=C(C[C@@H](c1ccc(Cl)cc1)c1c(O)nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 96231695 OLGALTVWARGNHX-SFHVURJKSA-N 479.920 3.346 10 40 JGCB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)o2)c1 205859919 YCNDOWZWTQTAJM-LICLKQGHSA-N 470.459 3.002 10 40 JGCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1O 15011928 VYSRSBVGMXHZRH-YRNVUSSQSA-N 468.101 3.387 10 40 JGCB Cc1ccc(N2C(=O)/C(=C\c3cc(Br)c(N4CCOCC4)o3)C(=O)NC2=S)c(C)c1 16284829 AAVBPWDVBYWZHI-GDNBJRDFSA-N 490.379 3.327 10 40 JGCB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 102405158 ZFDKEHUJQWYXOG-QEEYODRMSA-N 462.502 3.269 10 40 JGCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409070165 NFDUQSSMINHKQU-UHFFFAOYSA-N 451.287 3.185 10 40 JGCB C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 1597002845 LJKNKRMRFYEAAX-QFUCXCTJSA-N 458.603 3.040 10 40 JGCB CN1C[C@H](c2ccccn2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12C(=O)Nc1ccccc12 13811644 RNVQQSNUVRKHEQ-VEYWIMSWSA-N 476.583 3.351 10 40 JGCB O=S(=O)(c1ccc(Br)cc1)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 14095421 UOOGQGJZWXAYGN-UHFFFAOYSA-N 451.386 3.150 10 40 JGCB CCOC(=O)[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 33780228 ZKCVSSYRPURWBB-YYTPVVGHSA-N 459.296 3.241 10 40 JGCB CCc1cccc2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cn(CC(=O)N3CCOCC3)c12 409135662 RQPOXEFLERDCSH-IAFWPLRWSA-N 499.658 3.443 10 40 JGCB COCCN1C(=O)/C(=C/c2c(NCc3ccc(C)cc3)nc3ccccn3c2=O)SC1=S 2665836 WOZWHPXUKZNETI-AQTBWJFISA-N 466.588 3.463 10 40 JGCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccccc1 22749899 ZGWKNQQXDCFJFI-NLZIUFDSSA-N 491.613 3.350 10 40 JGCB CN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccc(N2CCOCC2)cc1 12609757 GJZZXSCJTPQRPX-UHFFFAOYSA-N 450.583 3.266 10 40 JGCB Cc1ccc(OCCN2CCN(S(=O)(=O)c3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1 23114571 SKOFFNRBXBTBSA-UHFFFAOYSA-N 490.581 3.156 10 40 JGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1ccc2c(c1)OCO2 34848934 AWIZEZQTJRXNCP-UNOMPAQXSA-N 459.414 3.364 10 40 JGCB Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)C1=O 409211791 OOTXNKDPUPQMFX-HMAPJEAMSA-N 471.517 3.329 10 40 JGCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)cc1OC 8819391 DZXPSOZYRKENRN-YVLHZVERSA-N 459.505 3.452 10 40 JGCB CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 13108846 VUQIXBAHUFTKPA-HMAPJEAMSA-N 468.465 3.121 10 40 JGCB CCOc1cc(/C=C2\C(=O)NN(c3ccc(F)cc3)C2=O)cc(Br)c1OC(C)=O 32099580 JOSMHHOZQMHPLO-OVCLIPMQSA-N 463.259 3.374 10 40 JGCB Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3)C2=O)c(C)n1NC(=O)c1ccccc1 409216092 HYVYHVFFZXRVCR-STZFKDTASA-N 457.490 3.020 10 40 JGCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O 409243795 UJUCVCPGCFMNNU-UDWIEESQSA-N 459.506 3.338 10 40 JGCB Cc1cc(C(=O)C(F)(F)F)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 3201736 TYOFMBLXQYATPY-UHFFFAOYSA-N 485.528 3.460 10 40 JGCB C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)C[C@@H](C)O1 13581618 NGBRNIWBBPBCIW-CWKSZPSFSA-N 482.587 3.303 10 40 JGCB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCC(=O)Nc2ccccc2)c1 108281166 LHWYTWAVXGMWNN-JCMHNJIXSA-N 456.502 3.232 10 40 JGCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C 223582440 CBWCNZXEPJEGIR-YADHBBJMSA-N 467.551 3.371 10 40 JGCB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 225780574 HFAMCGBUIQTCMP-ULJHMMPZSA-N 461.518 3.212 10 40 JGCB COc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 409212902 RSBQJHQGVLPMOG-DEDYPNTBSA-N 452.486 3.356 10 40 JGCB NC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 409218407 IQRUDSWUPMMMTO-LFYBBSHMSA-N 468.680 3.177 10 40 JGCB CN(C)c1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1Br 9209510 BBDNVPOTWFUZKZ-IASXGRABSA-N 489.399 3.147 10 40 JGCB COc1ccc(/C=C2/SC(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)=NC2=O)cc1OC 9293388 VVHWCDNVWNSNAF-XSFVSMFZSA-N 454.508 3.405 10 40 JGCB CCOc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)OC)c4ccccc34)C(=O)NC2=S)cc1 9311798 XJVHKYOBSACAMW-UNOMPAQXSA-N 463.515 3.044 10 40 JGCB Cc1cc(C(=O)COC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 29945434 WBZXYYITJYOCNL-FGZHOGPDSA-N 470.522 3.410 10 40 JGCB O=C(O)COc1ccc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N=C2O)cc1Br 33456109 OMUVOGABBMBVOA-MLPAPPSSSA-N 490.222 3.327 10 40 JGCB COc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3cccc(Br)c3)C1=O)OCO2 409069584 JUDHBVMENHDPDJ-ACAGNQJTSA-N 461.293 3.018 10 40 JGCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(I)o3)C(=O)NC2=S)c1 9323227 GFESNVGYWSOQQF-XYOKQWHBSA-N 452.273 3.332 10 40 JGCB O=C(O)c1cccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1 13066952 AMCDYEHDGBHVGZ-UHFFFAOYSA-N 450.469 3.126 10 40 JGCB Cn1c(Sc2ccc(/C=C3/C(=O)NC(=S)N=C3O)cc2[N+](=O)[O-])nnc1-c1ccccc1 20427907 RYGZQZLRFWSYCU-UHFFFAOYSA-N 466.504 3.296 10 40 JGCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)N=C2S1 41083865 CDBMOZQEEBAJSR-JMCWYTMQSA-N 455.565 3.414 10 40 JGCB COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NC3CCCCCC3)c3ccco3)CC2)cc1 56946163 GXTFGRGDVFNUST-HSZRJFAPSA-N 468.598 3.107 10 40 JGCB CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 169310721 NGTFSTOWJQOHNB-BILGYAHESA-N 467.541 3.444 10 40 JGCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCCCC1 408529658 HNNHBPCHZVOJNB-QINSGFPZSA-N 480.912 3.491 10 40 JGCB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O 408800679 OKWWWSBVMOVLDB-LFIBNONCSA-N 473.279 3.301 10 40 JGCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccccc2)cc1 409004228 WZYSDCNZBNVSFJ-IBNIFWCESA-N 490.556 3.233 10 40 JGCB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(CCOC)c3C)N(CC(=O)OC)C2=S)cc1 409145655 RJVMIKNYIQKVIY-STZFKDTASA-N 471.579 3.298 10 40 JGCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C1=O 409228925 HHHAVZYMNOTCNI-OEAKJJBVSA-N 485.544 3.287 10 40 JGCB CN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1ccc(N2CCOCC2)cc1 8747583 NXVNPQMWXLMKKL-UHFFFAOYSA-N 474.487 3.193 10 40 JGCB O=C(CCSc1ccccc1)NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 9963805 HSIQJMMSUORWSA-UHFFFAOYSA-N 473.506 3.444 10 40 JGCB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=S)N(c2cccc3ccccc23)C1=O 20357410 IBYAIFGVQKACKH-QDUHJBTASA-N 498.564 3.327 10 40 JGCB C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3nnc(NC(=O)C(C)(C)C)s3)cc2)C1 223041658 BTBRTAHGVCCABS-AWEZNQCLSA-N 451.618 3.238 10 40 JGCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1C 408692580 PTASYOBFNLJGNO-WOJGMQOQSA-N 452.467 3.415 10 40 JGCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 409008920 AHCOCHBNNMQMIQ-CIAFOILYSA-N 479.533 3.172 10 40 JGCB COC[C@@H](C)NC1=NN=C(c2cc(C)n(-c3cc(C(=O)OC)cc(C(=O)OC)c3)c2C)CS1 9631458 PFQJRXPFQTWZEM-CYBMUJFWSA-N 472.567 3.099 10 40 JGCB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccccc1NS(=O)(=O)c1ccccc1 13613657 OTAWDWONBLNSLU-UHFFFAOYSA-N 451.548 3.254 10 40 JGCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1I 13667721 ZKVHOSIHVKZMJB-UHFFFAOYSA-N 472.348 3.379 10 40 JGCB CN(C)c1ccc([C@H](CNC(=O)CN2C(=O)c3ccccc3C2=O)N2CCc3ccccc3C2)cc1 16914060 KXVMQVZWTQPKJZ-SANMLTNESA-N 482.584 3.264 10 40 JGCB CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2cccs2)N2CCN(c3ccccc3)CC2)cc1 22999025 LBWSVHGQSHYRTG-VWLOTQADSA-N 491.661 3.110 10 40 JGCB COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)cc1 59249848 UPICPCRSQCSRMW-XNTDXEJSSA-N 476.352 3.482 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1Cc1cccc(F)c1 408868217 NDXQSJOXCBYPJF-UHFFFAOYSA-N 494.260 3.169 10 40 JGCB COc1ccc(N2CCN([C@H](c3cc(OC)c(OC)c(OC)c3)c3nnnn3C(C)(C)C)CC2)cc1 13504051 AWUOTGDJKYBCOF-HSZRJFAPSA-N 496.612 3.374 10 40 JGCB COc1ccc(-n2c(C)cc(C(=O)OCc3nnc4n(C)c(=O)c5ccccc5n34)c2C)cc1 23063688 MNLIYMUQMJSAMO-UHFFFAOYSA-N 457.490 3.354 10 40 JGCB CC1CCN(C(=O)C2=CN(c3ccc(S(C)(=O)=O)cc3)c3ccccc3S2(=O)=O)CC1 33283203 IQSGCYDEAQISNG-UHFFFAOYSA-N 460.577 3.115 10 40 JGCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)C(O)=NC1=S 59182322 LDKGMJUUHYVVOL-LDADJPATSA-N 483.550 3.326 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](CO)Cc3ccccc3)C2=O)cc1 10232873 RXYGXRRRSVMUQS-SQVRNEIYSA-N 456.589 3.006 10 40 JGCB Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c2ccccc2n1 21887079 DOTBVCWEAYRVSN-AREMUKBSSA-N 487.604 3.054 10 40 JGCB CCN1C(=O)/C(=C\c2cc(I)c(OCC(=O)OC)c(OC)c2)SC1=S 409338070 CLKLUMKJCCRFII-KPKJPENVSA-N 493.344 3.073 10 40 JGCB Cn1c(-c2ccccc2)cnc1SCC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 9338216 YEGOGLHLBWYNHX-HXUWFJFHSA-N 455.605 3.395 10 40 JGCB Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCCCC1 10113425 WHRXJUARQNJPRO-UHFFFAOYSA-N 471.623 3.326 10 40 JGCB COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCCCc3ccccc3)c3ccco3)CC2)cc1 56946054 UQROSBVPLNARJD-VWLOTQADSA-N 490.604 3.017 10 40 JGCB CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225414282 GMPQFXSOPINFIO-OAQYLSRUSA-N 462.572 3.302 10 40 JGCB CCc1cccc(-n2c(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)nnc2N2CCOCC2)c1 19197764 RZVZSFVMLNCYPB-UHFFFAOYSA-N 494.665 3.483 10 40 JGCB Cc1nn(-c2cc(S(=O)(=O)O)ccc2Cl)c(O)c1/N=N/c1ccc(S(=O)(=O)O)cc1 22112558 MDKRPZMPLVUDHH-VHEBQXMUSA-N 472.888 3.449 10 40 JGCB COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCc3ccc(Cl)cc3)c3ccco3)CC2)cc1 56945974 SWKTVAYMFWWZCI-HSZRJFAPSA-N 496.995 3.238 10 40 JGCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCc4cnc[nH]4)c4ccccc34)[C@@H]21 1565524398 GOVVQJMKKPBWPT-AREMUKBSSA-N 468.561 3.260 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCCCCC(=O)O)C2=O)cc1OC 8870119 LAQCFDFKKGTRCH-GHRIWEEISA-N 466.581 3.056 10 40 JGCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc([N+](=O)[O-])ccc3NCCO)c2C)cc1 13130430 ALTUWWOSQHDFKS-UHFFFAOYSA-N 467.478 3.455 10 40 JGCB O=C(O)Cn1cc(/C=C2/C(=O)N=C(O)N(c3ccc(Br)cc3)C2=O)c2ccccc21 17250036 LWLHLLRWLCOLHF-SXGWCWSVSA-N 468.263 3.359 10 40 JGCB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 21887102 HTXCXJNTGBGOEE-HSZRJFAPSA-N 471.001 3.159 10 40 JGCB COc1cccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1OCC(=O)Nc1ccc(F)cc1 408695514 VTAQAZQXKCSYOH-CPNJWEJPSA-N 481.480 3.256 10 40 JGCB CCc1cccc2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cn(CC(=O)NCCOC)c12 409138454 CASMRNHZJPVRMZ-HRVJUDJTSA-N 487.647 3.347 10 40 JGCB COc1ccc(N2CCN(C3=NC(=O)[C@@H](CC(=O)Nc4ccc(Oc5ccccc5)cc4)N3)CC2)cc1 20249066 VLLUNMQJAVTCQQ-RUZDIDTESA-N 499.571 3.493 10 40 JGCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1-c1ccc2c(c1)OCO2 35684488 WTZMVXNSMOLRRA-AREMUKBSSA-N 473.485 3.235 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccc(F)cc1 59536272 SLPYYMHIZSHSBO-UHFFFAOYSA-N 463.259 3.315 10 40 JGCB CCOc1cccc([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]23)c1O 100120675 XJQBNYCQHNKFHD-JYEBCORGSA-N 482.533 3.119 10 40 JGCB COC(=O)Cn1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21 1209566 GBSCCORFNMTVOL-MFOYZWKCSA-N 453.907 3.299 10 40 JGCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OC 2263241 OTCGNNPUIFGYFG-CXUHLZMHSA-N 475.504 3.167 10 40 JGCB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ncc(-c4ccccc4)n3C)CC2)cc1 12604100 SOAWCCSLKPDECV-UHFFFAOYSA-N 470.620 3.021 10 40 JGCB COc1ccc(N2CCN(C(=O)CN(C3CCCCC3)S(=O)(=O)c3ccccc3)CC2)cc1 16217019 UQOVWNNBGIMNCN-UHFFFAOYSA-N 471.623 3.367 10 40 JGCB COc1c(/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)N=C2O)c(CCN(C)C(C)=O)cc2c1OCO2 17042539 VJCKSBVJVFUKAP-ODLFYWEKSA-N 497.479 3.086 10 40 JGCB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)N1CCN(C(=O)c2ccco2)CC1 1346224 HGBLXWLMJYDBKM-UHFFFAOYSA-N 465.491 3.061 10 40 JGCB COC(=O)c1cc2ccccc2c(CN2CCC(NS(=O)(=O)c3ccccc3)CC2)c1O 9113637 OPOPRWYTOGZCIR-UHFFFAOYSA-N 454.548 3.275 10 40 JGCB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 16134413 RXRFKJWFIWCJJJ-UHFFFAOYSA-N 476.503 3.188 10 40 JGCB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1N1C(=O)CCC1=O 222551157 MCITYOTZENRCEF-KRWDZBQOSA-N 471.579 3.378 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)c(C)c1 409390543 FSQASGZBZLUMDP-DEDYPNTBSA-N 458.474 3.251 10 40 JGCB Cc1cc(C(=O)COC(=O)c2cccc(NS(C)(=O)=O)c2)c(C)n1-c1ccc2c(c1)OCO2 9120744 STQAWYVGYPWRFJ-UHFFFAOYSA-N 470.503 3.234 10 40 JGCB COc1ccccc1NCCC(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9130869 NGWOITXYPIDYTP-UHFFFAOYSA-N 458.470 3.455 10 40 JGCB Cc1cc(C(=O)COC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 29945436 WBZXYYITJYOCNL-FCHUYYIVSA-N 470.522 3.410 10 40 JGCB CCOc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc(I)c1OC(C)=O 58866195 DRXDUDWSRVFLSX-UHFFFAOYSA-N 486.258 3.369 10 40 JGCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c(N3CCCCC3)nc12 1802909 CKOWYAZYUJRKGY-SSZFMOIBSA-N 472.592 3.059 10 40 JGCB C[C@H]1CCC[C@H](NC(=O)Cn2c(=O)/c(=C\c3ccc(N(C)C)cc3)s/c2=C\C(=O)C(C)(C)C)[C@@H]1C 13097219 XTUCJUIMBLKLHX-KXMKGYHXSA-N 497.705 3.141 10 40 JGCB CCOc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)c1 408870953 YAXNZJVZPMRYOF-LICLKQGHSA-N 492.269 3.365 10 40 JGCB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccc(N(C)C)cc1 9262380 IRSLNKGLUALEAZ-VXKWHMMOSA-N 450.539 3.254 10 40 JGCB COC(=O)[C@@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 19584900 JBGYSLNZBCIAIR-PVIBPIFHSA-N 469.541 3.271 10 40 JGCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccccc3NC(=O)Cn3cnnn3)c2C)cc1 58051438 OFZTZNZLYCZHGJ-UHFFFAOYSA-N 472.505 3.067 10 40 JGCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(C(N)=O)cc4)c3C)C2=O)c1 409119068 QZLXLBKWDWJERC-LPYMAVHISA-N 471.517 3.033 10 40 JGCB COCCNC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21 409138486 COMHUZIXAGEVPZ-JAIQZWGSSA-N 466.588 3.200 10 40 JGCB COC(=O)[C@@H](NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)C(C)C 1565525057 ZBWWRMRDYALKEA-AZGAKELHSA-N 488.588 3.492 10 40 JGCB O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)o2)c1 2169511 KFLAVTNBWHBATF-LICLKQGHSA-N 476.894 3.193 10 40 JGCB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)c1ccccc1O 12922343 AGIKBIZRABUWNA-CHWSQXEVSA-N 473.414 3.494 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H](C)NC(=O)c3ccco3)c2C)cc1 39222510 RROSMHAREUAKSF-OAHLLOKOSA-N 452.463 3.018 10 40 JGCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 408783671 OGLJEJDCSUTJFQ-JWGURIENSA-N 464.518 3.413 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OC 408794676 ARYHRVTVJRYICR-RIYZIHGNSA-N 461.268 3.228 10 40 JGCB COc1ccc(N2CCN([C@H](c3nnnn3CCc3ccc(OC)c(OC)c3)C(C)C)CC2)cc1 13505557 KLQDVDNBIUXOEE-VWLOTQADSA-N 480.613 3.461 10 40 JGCB COc1ccc(N2CCN(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)CC2)cc1 61695597 IMRJBMVGGCXZEB-UHFFFAOYSA-N 486.638 3.021 10 40 JGCB COc1ccc(N2CCN(Cc3coc(O)c(CN4CCO[C@H](c5ccccc5)C4)c3=O)CC2)cc1 101409241 JMLDWBPGUKTYQP-SANMLTNESA-N 491.588 3.250 10 40 JGCB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)/C1=C\c1ccccc1OC(=O)c1ccc2c(c1)OCO2 408537638 WLDOXFKBJRJVPM-ADGAUZKZSA-N 474.469 3.285 10 40 JGCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1)Nc1ccccc1 409058706 SOWBBTYVLOHGHF-KGENOOAVSA-N 486.440 3.279 10 40 JGCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCc4cccnc4)c4ccccc34)[C@@H]21 1616044726 VDSLPDZMOOPRQP-AREMUKBSSA-N 451.530 3.500 10 40 JGCB COc1ccc(N2CCN([C@H](c3cc4cc(C)ccc4[nH]c3=O)c3nnnn3C(C)(C)C)CC2)cc1 19220748 RTNOSFNHARFLDJ-XMMPIXPASA-N 487.608 3.498 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC(=O)OC(C)C 33397942 DHJKPBHFSPNFLN-SXGWCWSVSA-N 489.322 3.250 10 40 JGCB COc1ccc(N2CCN([C@@H]3c4ccccc4C[C@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 58164939 NJPTYNRWKJYJIF-CLJLJLNGSA-N 463.603 3.462 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(C(=O)OC)o4)C3=O)c2C)cc1 107887123 OVBHGJHAXZUBQL-NDENLUEZSA-N 477.473 3.353 10 40 JGCB Cc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O 409074085 XSXISCZTGNBVLQ-MOSHPQCFSA-N 499.365 3.126 10 40 JGCB COc1ccc(N2CCN([C@@H](CNC(=O)NC(C)(C)C)c3ccc4c(c3)OCO4)CC2)cc1 22851358 PARWIZWTDHCPPE-NRFANRHFSA-N 454.571 3.385 10 40 JGCB CCOc1cc(C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc(OCC)c1OCC 23471484 WTFSABQRHIEVTN-UHFFFAOYSA-N 486.565 3.397 10 40 JGCB CC(=O)Nc1cccc(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1 95927151 PBMZZGNLZYLAHV-GRSHGNNSSA-N 469.544 3.005 10 40 JGCB CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(NS(=O)(=O)c2nccs2)cc1 104090502 DYUCYIHLTBLINY-LRDZBDLTSA-N 498.546 3.362 10 40 JGCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCOCC3)C2=O)cc1OC 8819957 XDRZYDZTVATXFT-CYVLTUHYSA-N 464.609 3.324 10 40 JGCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3Cl)N3CCCC3)ccc21 9135732 BGIPPCHFBHQJEX-HSZRJFAPSA-N 455.002 3.292 10 40 JGCB CCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1OCC 23080544 ZXRGFBJFJXAQRE-QHCPKHFHSA-N 454.615 3.269 10 40 JGCB COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1cccc(F)c1 34860972 DEOQJSMCDFHXGP-DEDYPNTBSA-N 461.449 3.313 10 40 JGCB O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N3CCN(C/C=C/c4ccccc4)CC3)ccc21 36062148 UNRYNWXHMJRVSK-RMKNXTFCSA-N 472.566 3.482 10 40 JGCB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1ccc(N2CCCC2)cc1 223369130 UEPBJLOOILLRLE-UHFFFAOYSA-N 471.623 3.329 10 40 JGCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OCC 409101774 XWZCIRGHQXPZCA-LFIBNONCSA-N 456.520 3.333 10 40 JGCB COc1ccc(N2CCN(C(=O)c3nc(S(=O)(=O)Cc4ccccc4)ncc3Cl)CC2)cc1 8846276 WCEXETQFGYXNAN-UHFFFAOYSA-N 486.981 3.075 10 40 JGCB COc1ccc(/C=C2\SC(N3CCN(c4ccccc4[N+](=O)[O-])CC3)=NC2=O)cc1OC 9009269 NCFBLHYIJXVFSD-ZHZULCJRSA-N 454.508 3.405 10 40 JGCB COC(=O)[C@]1(CCSC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 20150601 SXKUDXNGNIIOFW-UWHHFBIGSA-N 485.581 3.007 10 40 JGCB Cn1c(Sc2ccc(/C=C3/C(=O)NC(=O)N=C3O)cc2[N+](=O)[O-])nnc1-c1ccccc1 20427905 ZVIFVWOOSLTKPG-UHFFFAOYSA-N 450.436 3.131 10 40 JGCB O=C(C[C@@H](c1c(O)nc2ccccn2c1=O)c1ccnc2ccccc12)NCCc1ccc(O)c(O)c1 217755306 SKBMBBDTRHXTTL-HXUWFJFHSA-N 496.523 3.240 10 40 JGCB biogenic Cc1cc(N2C(=O)NC(=O)/C(=C/c3cn(CC(=O)O)c4ccccc34)C2=O)ccc1Br 9353302 NPQKLNZXFAOXCB-SXGWCWSVSA-N 482.290 3.463 10 40 JGCB CCOC(=O)c1oc2c(CN3CCN(C)CC3)c(O)ccc2c(=O)c1-c1ccc(OC)c(OC)c1 20114046 YZVGBXXHBXAQQK-UHFFFAOYSA-N 482.533 3.107 10 40 JGCB biogenic O=C(O)c1ccccc1/N=N\c1c(O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc12 100177641 OJWUCETZRVOXJF-HNENSFHCSA-N 452.422 3.152 10 40 JGCB CCN(CC)CC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CN(CC)CC)cc1C2=O 5463650 COLRGEANOXVELY-UHFFFAOYSA-N 464.566 3.023 10 40 JGCB N=C1/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 9353105 KMCQOZZNIRKRAQ-RSRMSENYSA-N 477.502 3.276 10 40 JGCB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C/c1c(O)[nH]c(=O)n(-c2cccc(C)c2)c1=O 16349883 HOZDBOWDQWEKSQ-GZTJUZNOSA-N 495.333 3.417 10 40 JGCB CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1C 20206387 VCXJAUGJVWIRSV-HLLBZCHMSA-N 455.565 3.278 10 40 JGCB CS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)Oc2ccc(Cl)cc21 20455719 DLDAGOZWESIRTJ-OAQYLSRUSA-N 463.987 3.174 10 40 JGCB C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CCN(c2ccccc2O)CC1 57999832 GZDYDXVYMJWXSP-QGZVFWFLSA-N 455.514 3.317 10 40 JGCB CCC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 107881668 CDGANIITKQHZPV-WJDWOHSUSA-N 473.279 3.440 10 40 JGCB COCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)SC1=S 1775773 ARMYLPHIALVZPE-FMQUCBEESA-N 467.572 3.198 10 40 JGCB CNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2712502 CCTTUXHAEIXPBN-MFOYZWKCSA-N 466.544 3.175 10 40 JGCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)c(OCC)c1 409104239 GTIVCWNFUBTPAA-GZTJUZNOSA-N 456.520 3.333 10 40 JGCB CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(N)=O 409211015 LUWAPHXCFQDSSJ-RQZCQDPDSA-N 459.505 3.263 10 40 JGCB COCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)cc2)C1=O 8892527 RKZRMJFYOXLCSX-CYVLTUHYSA-N 496.614 3.205 10 40 JGCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCC(=O)O 13914931 HVKKPBYRSZFOAT-CXUHLZMHSA-N 459.252 3.417 10 40 JGCB CCOCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S 16733034 NOCFGWZVUCERDB-DQRAZIAOSA-N 495.626 3.348 10 40 JGCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C(=O)N=C2S1 41083811 FBTSXVBCXUZMIG-HLLBZCHMSA-N 455.565 3.414 10 40 JGCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N(C)C)cc1 101077956 HNWFRBUQKZFSOW-LDADJPATSA-N 463.357 3.418 10 40 JGCB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(O)c(C(=O)O)c1 8819656 VLUJJEZCUHQVPY-NVMNQCDNSA-N 486.527 3.439 10 40 JGCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 409123090 DVZFRDQNAOEURH-LFIBNONCSA-N 490.354 3.256 10 40 JGCB Nc1ccc(-n2c(N)c(C(=O)NCc3ccc4c(c3)OCO4)c3nc4ccccc4nc32)cc1 4295346 ATSXLKSULBDODD-UHFFFAOYSA-N 452.474 3.397 10 40 JGCB Cc1ccc(CN2C(=O)/C(=C/c3c(NCCO)nc4ccc(C)cn4c3=O)SC2=S)cc1 16734834 ZFOMFLDDAKVINL-WQRHYEAKSA-N 466.588 3.117 10 40 JGCB Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 9204234 ILRCIAVAJVOQBD-UHFFFAOYSA-N 465.487 3.058 10 40 JGCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 9220366 YGCXQXOPKDTXJH-UHFFFAOYSA-N 468.535 3.149 10 40 JGCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 59139609 UEBFRXNWKAVVGZ-UHFFFAOYSA-N 455.492 3.171 10 40 JGCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1O[C@H](C)C(=O)OC 108950793 ZTOXWQFIUZMVIV-ZHTGWBIJSA-N 450.491 3.216 10 40 JGCB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1 9464975 AFRZXKGMDJOHPK-UHFFFAOYSA-N 469.563 3.448 10 40 JGCB C[C@@H]1CCC[C@@H](NC(=O)Cn2c(=O)/c(=C\c3ccc(N(C)C)cc3)s/c2=C\C(=O)C(C)(C)C)[C@@H]1C 13097216 XTUCJUIMBLKLHX-NKTLHORMSA-N 497.705 3.141 10 40 JGCB COc1ccc(N2CCN(Cc3coc(O)c(CN4CCO[C@@H](c5ccccc5)C4)c3=O)CC2)cc1 101409242 JMLDWBPGUKTYQP-AREMUKBSSA-N 491.588 3.250 10 40 JGCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2ccc(O[C@H](C)C(=O)O)cc2)C1=O 408843920 BFZGQQISJHVNPY-HMHNVIDESA-N 473.279 3.276 10 40 JGCB CC(=O)N[C@@H]1[C@H](NC(=O)c2ccccc2)[C@@H](N=[N+]=[N-])[C@@H](CN=[N+]=[N-])O[C@H]1OCc1ccccc1 25692918 SPFNVFAVFSPQCN-AIYVTKCESA-N 464.486 3.221 10 40 JGCB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1OC 224438470 LEYCWZYJTRRVJI-MOPGFXCFSA-N 489.638 3.438 10 40 JGCB C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 225026895 GYECPFOXGFNYBU-INIZCTEOSA-N 451.539 3.426 10 40 JGCB O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O)Nc1ccccc1 408947582 COAICJVGXXTJKW-XDHOZWIPSA-N 485.452 3.099 10 40 JGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 409016911 UFFLOCBPVAJFDZ-FYJGNVAPSA-N 472.563 3.477 10 40 JGCB Cc1cc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(C)n1-c1ccccc1 9471003 VBKBPPLOPCEPNV-UHFFFAOYSA-N 455.536 3.140 10 40 JGCB CN1C(=O)C(=Cc2ccc(OCc3ccccc3)c(I)c2)C(=O)N(C)C1=S 59139475 SLKGJXUBXHYPMY-UHFFFAOYSA-N 492.338 3.469 10 40 JGCB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCc2cccc(C(=O)O)c2)c1 107836223 MOWJNHAQBPGWGO-HMAPJEAMSA-N 457.486 3.491 10 40 JGCB Cc1ccc2nc(NCC(C)C)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 2256203 SNDMPEXPVFNTEA-GESOSKEOSA-N 458.609 3.451 10 40 JGCB Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c2ccccc2n1 8964146 HOKXSDUDFWKSNF-RUZDIDTESA-N 457.578 3.427 10 40 JGCB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc21 15867659 WFWUMFINDLBIKW-UHFFFAOYSA-N 470.595 3.385 10 40 JGCB O=C1[C@@H]2[C@@H](c3ccccc3O)N[C@@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@H]2C(=O)N1c1ccccc1 102782526 WQBAYKGKHMVHQK-GOIZPCHYSA-N 481.508 3.390 10 40 JGCB Cc1c(Cl)cccc1N(CCCC(=O)NCc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O 224759131 WOBVDKARGFPMAV-UHFFFAOYSA-N 493.073 3.263 10 40 JGCB Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC(C)C)cc3)C(=O)NC2=S)c1C 409187197 NFLHPQPZGCJESR-XDHOZWIPSA-N 452.532 3.465 10 40 JGCB O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c2ccccc21)Nc1ccccc1 409228404 YLXFFOOZRAHHOY-FYJGNVAPSA-N 465.469 3.341 10 40 JGCB C[C@@H]1NC(=O)C2(CCCCOCCNC1=O)CCN(Cc1cc(C(C)(C)C)ccc1O)CC2 643566635 VUCITNLCBYIWCR-IBGZPJMESA-N 459.631 3.093 10 40 JGCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCNc4ncccn4)c4ccccc34)[C@@H]21 1565525070 ZYPGHABKQLNXRB-AREMUKBSSA-N 495.587 3.197 10 40 JGCB COCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(OC)cc2)C1=O 2318587 IGLPKIRDCLCMKP-UNOMPAQXSA-N 496.614 3.471 10 40 JGCB O=C1/C(=C/c2c(N3CCOCC3)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1 2376057 OGWKPUGTFOHDSK-JZJYNLBNSA-N 492.626 3.365 10 40 JGCB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3c(-c4ccc(Cl)cc4)nc4sccn34)C(=O)N=C2S1 6072818 DXJNZXHHVCOOLF-YBWZPROESA-N 490.979 3.337 10 40 JGCB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(N/C=C3\C(=O)NC(=S)N([C@H](C)CC)C3=O)c12 9305764 ZLRYZNDIQDNQTL-SLQMCABGSA-N 472.567 3.010 10 40 JGCB COc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 102579555 WSYVCAZLQKSAFH-BHDDXSALSA-N 453.450 3.390 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)O 408785611 ICSUDJBRMWWZAO-OVCLIPMQSA-N 458.854 3.177 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)c2C)cc1 9703936 SXELERDFLHSWPT-LJQANCHMSA-N 478.501 3.248 10 40 JGCB CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 100421034 NGTFSTOWJQOHNB-MSZDEVHKSA-N 467.541 3.444 10 40 JGCB CC(=O)Nc1ccc(/N=N\c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)cc1 104366353 ISEIKYNRVBWLLR-MRCUWXFGSA-N 481.464 3.118 10 40 JGCB Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)cc1Cl 409254065 CZNPTSCMRSASPH-UHFFFAOYSA-N 464.330 3.234 10 40 JGCB COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)ccc1OCC(=O)O 13785662 YXFKWUIOHHHAPY-ZSOIEALJSA-N 475.251 3.428 10 40 JGCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1ccc(O)c(C(=O)O)c1 16160731 BWNKXQIYHPEVEK-DHDCSXOGSA-N 463.231 3.414 10 40 JGCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 34719864 XFPDFIMKOYZJOZ-CPNJWEJPSA-N 484.350 3.493 10 40 JGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 408757756 QQNGHQBMWJCHDB-FYJGNVAPSA-N 475.461 3.462 10 40 JGCB O=c1cc(-c2cc3cc(Cl)ccc3oc2=O)c2ccc(O)c(CN3CCN(CCO)CC3)c2o1 20605036 KMAKZSXUHOXGNT-UHFFFAOYSA-N 482.920 3.035 10 40 JGCB biogenic COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)o1 2365493 HXQOPRWUMDQLCQ-YBEGLDIGSA-N 477.385 3.259 10 40 JGCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CC(=O)O)C(=O)O)C3=O)o2)cc1[N+](=O)[O-] 9884773 VGHNWSDUVHFRBQ-FEZXJWFHSA-N 462.461 3.292 10 40 JGCB CCN1C(=O)/C(=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 16957385 VUXBPMFJSVGRAJ-RRFFURKPSA-N 499.633 3.212 10 40 JGCB COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCN(c2ccc(OC)cc2)C[C@@H]1C 61943437 DFZKSUYBBCSKNR-KRWDZBQOSA-N 450.539 3.421 10 40 JGCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3cc(F)ccc3Br)cc2)C1 58246948 ZBLQANWWCSITOQ-OAHLLOKOSA-N 463.351 3.289 10 40 JGCB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2nnc(S)s2)SC1=S 256055591 MJNJZHJOWHIJCF-AWPPVZKDSA-N 452.608 3.115 10 40 JGCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 408846699 ROBUPSXOQPJYKC-OQLLNIDSSA-N 492.356 3.158 10 40 JGCB COc1ccc(/C=C2/SC(N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)=NC2=O)cc1 943752 AGXLLPVJFKDAEJ-XMHGGMMESA-N 452.492 3.032 10 40 JGCB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C 3271600 IJJCJFWBQWOBHN-UHFFFAOYSA-N 491.953 3.199 10 40 JGCB CC(=O)Nc1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)cc1 4803990 ISEIKYNRVBWLLR-QZQOTICOSA-N 481.464 3.118 10 40 JGCB CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](C(=O)O)[C@@H](C)CC)C2=O)cc1OC 8870159 VDRXCWZQXSNGHN-BWJCDSJOSA-N 480.608 3.301 10 40 JGCB COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)cc4)C3)CC2)cc1 19860877 UMEKTYWPQGXQFK-FQEVSTJZSA-N 492.041 3.239 10 40 JGCB COc1ccc(N2CCN(c3nc(CN4CCOCC4)nc4sc5c(c34)CCC5)CC2)cc1 25515782 IHFZMKDEJFSZKO-UHFFFAOYSA-N 465.623 3.347 10 40 JGCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCCn4ccnc4)c4ccccc34)[C@H]21 1616044681 RABJOXPKEQKTTI-SANMLTNESA-N 468.561 3.191 10 40 JGCB CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CC(=O)O)C(=O)O)C3=O)o2)cc1 13075180 UTFMGRSJEXQACB-SLVCOGOPSA-N 475.500 3.252 10 40 JGCB Cc1ccc(Cn2c(=O)/c(=C\c3ccc(N(C)C)c([N+](=O)[O-])c3)s/c2=C/C(=O)C(C)(C)C)cc1 33579862 XGXIDCWLMNPALD-IOMRDFFCSA-N 479.602 3.465 10 40 JGCB COc1ccc(N2CCN([C@H]3c4ccccc4C[C@@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 58164938 NJPTYNRWKJYJIF-UIOOFZCWSA-N 463.603 3.462 10 40 JGCB Cc1c(N/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(=O)n(-c2ccccc2)n1C 100776107 ZVLBDBGUHUDFLX-XSFVSMFZSA-N 475.574 3.352 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)OC 408781512 BEGJJPKTNFPFSC-CXUHLZMHSA-N 472.881 3.265 10 40 JGCB COCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(OC)cc2)C1=O 2665863 IZVFQDFEKHTIKR-AQTBWJFISA-N 482.587 3.163 10 40 JGCB Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 9308880 SKXSUGHVGYLNAZ-ULZOKRSMSA-N 494.552 3.101 10 40 JGCB COc1ccc(N2CCN(C(=O)C(=O)c3cn(CC(=O)N4CCCCC4)c4ccccc34)CC2)cc1 9519437 PDNQGGAWRBUKNX-UHFFFAOYSA-N 488.588 3.194 10 40 JGCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 23291363 NOCFLWYADSLPPN-UHFFFAOYSA-N 488.591 3.028 10 40 JGCB O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1cccc(F)c1 33720646 PIONOLQCXXTXEN-ODLFYWEKSA-N 476.420 3.213 10 40 JGCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(CC(=O)N2CCCCC2)C1=O 35127477 BZQGRTXBFAAVAS-MOSHPQCFSA-N 459.568 3.353 10 40 JGCB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2ccc(OC)cc2)[C@H](C)C1 57058601 XXZHPXSFBAEKHS-QGZVFWFLSA-N 450.539 3.421 10 40 JGCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccn1 223130549 SSDRCTNRLSAWBV-DNQXCXABSA-N 462.623 3.189 10 40 JGCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2CCCCC2)cc(N2CCOCC2)n1 225951795 LZTJOZLTWVNWEK-UHFFFAOYSA-N 481.670 3.390 10 40 JGCB Cc1cc(C(=O)COC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 29945437 WBZXYYITJYOCNL-VXKWHMMOSA-N 470.522 3.410 10 40 JGCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1cccc(C)c1 408801984 XMTCXIFFPIMJGC-UHFFFAOYSA-N 459.296 3.485 10 40 JGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1I 409172499 JLTWIUYXZUCHJS-FMIVXFBMSA-N 494.310 3.140 10 40 JGCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1 409327273 ITOMNVCWRKDEGJ-PDGQHHTCSA-N 472.544 3.183 10 40 JGCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)N2CCc3ccccc32)cc1 10188443 MYKQDEBGGJRSCH-DEOSSOPVSA-N 486.572 3.383 10 40 JGCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)C1=O 14008797 AZLGVDSYYSAWHL-XDHOZWIPSA-N 475.457 3.493 10 40 JGCB COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1OC 18285088 NGRYVPMDRVOYNT-XPWALMASSA-N 483.476 3.399 10 40 JGCB COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)Nc3ccc(Cl)cc3)CC2)cc1 22698829 CQOGSGASCPUBID-UHFFFAOYSA-N 496.995 3.480 10 40 JGCB CCOC(=O)c1cnn2c(O)cc(CSc3nnc(Cc4cccs4)n3C3CC3)nc12 32931625 DAKMUJBCIJKELH-UHFFFAOYSA-N 456.553 3.483 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(C(=O)O)cc1 33914836 JVWKUWSLOJMYIO-NDENLUEZSA-N 474.469 3.442 10 40 JGCB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(I)cc3)C2=O)c1C 101123175 AGHOPZOPZAFSOP-GDNBJRDFSA-N 461.259 3.487 10 40 JGCB COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)c2C)c1 223599311 QSMYFVMDEKDVOA-FCHUYYIVSA-N 450.564 3.241 10 40 JGCB CCN(CC)c1ccc(CNC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 224522627 TUHFDFBYEORGQZ-UHFFFAOYSA-N 461.584 3.124 10 40 JGCB O=C(O)COc1c(Br)cc(/C=C2\SC(=S)NC2=O)cc1Br 408529986 JXLRLSFWRDMMDM-BAQGIRSFSA-N 453.133 3.164 10 40 JGCB COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccc(OC)cc4OC)o3)CC2)cc1 929447 MEKCYBDTONVZEQ-UHFFFAOYSA-N 470.551 3.203 10 40 JGCB CCOC(=O)Cn1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21 1176813 ZNDICSKLQOIRBI-WJDWOHSUSA-N 451.479 3.175 10 40 JGCB CCN1C(=O)C(=Cc2cc(OC)c(O)c(Br)c2Br)C(=O)N(CC)C1=O 2773196 FKBGXCUCRSOXEI-UHFFFAOYSA-N 476.121 3.140 10 40 JGCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1 15226245 ARJYGQIOYTYDQJ-UHFFFAOYSA-N 458.854 3.060 10 40 JGCB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 27025398 VLFBJUPDZRMADL-CNSVBDKNSA-N 467.978 3.128 10 40 JGCB C/C(Nc1ccc(S(N)(=O)=O)cc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 103921107 KULUNNCDNDNVLT-QNGOZBTKSA-N 477.502 3.379 10 40 JGCB Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ccc([N+](=O)[O-])cc3O)C2=O)c(C)cc1Br 408538165 JXOAZZSBZYIPIE-XYOKQWHBSA-N 475.255 3.259 10 40 JGCB CC[C@H](C)[C@H](CO)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1616044678 QGUDVNUGAKWEDG-WOILTVAASA-N 460.578 3.311 10 40 JGCB CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4cccs4)cc3)C(=N)N21 20207406 YCBJCIYZUXUDNH-OIQQPNLJSA-N 488.572 3.367 10 40 JGCB O=C(O)c1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/C=C/c4ccccc4)SC3=S)C2=O)cc1 100872118 WEEACUNPOHWAFM-UCCYEOCQSA-N 464.524 3.474 10 40 JGCB COc1ccc(N2CCN(c3nccnc3SCC(=O)NCc3cccs3)CC2)cc1 33292966 FHZKNWRZXIMTSN-UHFFFAOYSA-N 455.609 3.282 10 40 JGCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccccc1I 408549859 AJUHSLYAIOVNJB-PKNBQFBNSA-N 452.248 3.262 10 40 JGCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cccn1-c1ccc(I)cc1 409243874 VRBCLKQDOXPLGR-GZTJUZNOSA-N 484.253 3.143 10 40 JGCB CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1 9135531 GERIFPFTHXEAIV-DEOSSOPVSA-N 450.583 3.360 10 40 JGCB CCOC(=O)CN1C(=O)/C(=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21 13547034 OOVHEKFLCXJDMH-VXPUYCOJSA-N 452.557 3.410 10 40 JGCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(Br)cc3F)nnc2n1 16689843 ZIJFDVZGWBZBAA-UHFFFAOYSA-N 469.344 3.015 10 40 JGCB CCOC(=O)Nc1cc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1OCC 408588064 WWGAFRJTJWEZPJ-UHFFFAOYSA-N 463.556 3.173 10 40 JGCB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(N(CC)CC)cc3O)c2=O)=N1 409032325 CPPYSYMQRKOYIF-FCKOQQNDSA-N 491.613 3.350 10 40 JGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(NC(=O)c4ccccc4)c3C)C2=O)cc1 409203928 ZDQBHYUSBYYTHL-KGENOOAVSA-N 458.474 3.164 10 40 JGCB COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 8832687 XNTMGOWSZWPXQN-UHFFFAOYSA-N 479.356 3.203 10 40 JGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c2C)cc1 9672749 XMLXOPVSHPJZAH-UHFFFAOYSA-N 461.430 3.268 10 40 JGCB Cc1ccccc1-n1c(C)cc(C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c1C 16695762 SLSDAZUQEVNKLN-FQEVSTJZSA-N 460.596 3.231 10 40 JGCB CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1ccc(OCC)cc1 67689689 OYQDVIXYWDENOO-VWLOTQADSA-N 494.592 3.087 10 40 JGCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 95470937 GTCQFQFJVXAYGW-ZHZULCJRSA-N 460.943 3.079 10 40 JGCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1Cl 21887153 GEKMLRMMLVJKMQ-HSZRJFAPSA-N 471.001 3.159 10 40 JGCB Cc1cccc(C)c1NC(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408654454 BPYPXWLXQDDNDA-BHIFYINESA-N 460.530 3.348 10 40 JGCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1OC 2323773 VMLHIYCJVHAMSL-AUWJEWJLSA-N 450.369 3.398 10 40 JGCB O=C1[C@@H]2[C@H](c3ccccc3O)N[C@@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C(=O)N1c1ccccc1 13571675 WQBAYKGKHMVHQK-HXFQDRMMSA-N 481.508 3.390 10 40 JGCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cc(OC)ccc1OC 112294814 FBJZHMISTNRGGI-BKUYFWCQSA-N 454.439 3.264 10 40 JGCB CCc1cccc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cn(CC(=O)NCCOC)c12 409138453 CASMRNHZJPVRMZ-BDBXIWDTSA-N 487.647 3.347 10 40 JGCB COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 409090744 PXNOQTODWBBCEC-MHWRWJLKSA-N 466.924 3.223 10 40 JGCB CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)SC2=S)cc1 409344700 GMQQUWIUROYPHQ-RCCKNPSSSA-N 483.615 3.396 10 40 JGCB COCCN1C(=O)/C(=C/c2c(NCc3ccc(OC)cc3)nc3ccccn3c2=O)SC1=S 6904832 GVWUXIHTLBTZCX-AQTBWJFISA-N 482.587 3.163 10 40 JGCB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\NN1CCCC[C@@H]1c1cccnc1 9282726 JRPMUIJJHGRRBA-MTMYEVCSSA-N 459.428 3.299 10 40 JGCB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(N/C=C3\C(=O)NC(=S)N([C@@H](C)CC)C3=O)c12 9305765 ZLRYZNDIQDNQTL-SEVUAYLXSA-N 472.567 3.010 10 40 JGCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1C(=O)N1CCCCC1 10113634 VVVCYMCPRDICPR-UHFFFAOYSA-N 457.596 3.400 10 40 JGCB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 15892523 XSGGBMVCYWWNSZ-UHFFFAOYSA-N 469.563 3.376 10 40 JGCB O=C1[C@@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2 100173873 WBJXADDPQYIAFJ-FKBYEOEOSA-N 485.423 3.250 10 40 JGCB COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(O)c(OC)c3)C(=O)NC2=S)cc1 408766633 WCVJGYCFTFQXPN-QPEQYQDCSA-N 463.309 3.003 10 40 JGCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC)c(OC)c3)C2=O)cc1 408801397 SUJKTFMEECFCOZ-OQLLNIDSSA-N 458.854 3.200 10 40 JGCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c1C 409236948 HCZGUEBNKILWDC-VCHYOVAHSA-N 461.434 3.072 10 40 JGCB Cc1ccccc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 10113312 DLOVVWQSXAJATD-UHFFFAOYSA-N 479.602 3.343 10 40 JGCB Cc1cc(C(=O)CSc2nnnn2Cc2ccco2)c(C)n1-c1ccc2c(c1)OCCO2 11309449 XPEVQYUCQYEHLV-UHFFFAOYSA-N 451.508 3.468 10 40 JGCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=N)N21 20206054 KSRUJBQMRYWQBH-GHZHVEGCSA-N 479.337 3.330 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1O[C@H](C)C(=O)O 33653676 MERQBVPBXDXDBR-GARZTLJTSA-N 495.713 3.424 10 40 JGCB CC(C)Oc1c(Br)cc(Br)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O 96193694 JIUQDEJZKCAYDT-UHFFFAOYSA-N 460.122 3.433 10 40 JGCB O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 98087065 XTOQDSKVRKARBE-NRFANRHFSA-N 492.041 3.035 10 40 JGCB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cccc(Cl)c1 408671275 YYYDOFRUUQCGJE-HBMCJLEFSA-N 466.921 3.384 10 40 JGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1cccc(C(=O)O)c1 33452489 NCPWUYZZBGLNQJ-NDENLUEZSA-N 474.469 3.442 10 40 JGCB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 8809472 MEEHRTVMIGIUEV-WNAFVSSOSA-N 459.571 3.139 10 40 JGCB CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](C(=O)O)[C@H](C)CC)C2=O)cc1OC 8870158 VDRXCWZQXSNGHN-HYKUKROYSA-N 480.608 3.301 10 40 JGCB COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(O)cc3Br)C(=O)NC2=S)cc1 9263184 WEOWMECZEZDZSW-QPEQYQDCSA-N 463.309 3.003 10 40 JGCB COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N21 15989895 BAGLFPZJZXODHC-HGSOSGBHSA-N 474.513 3.429 10 40 JGCB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3)C2=O)c1 95471477 KIXRLKKWLXTPDP-JWGURIENSA-N 490.541 3.052 10 40 JGCB COC(=O)C[C@@H](c1ccco1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96113779 KDSKOIHENZZWTE-NSHDSACASA-N 454.387 3.276 10 40 JGCB biogenic O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@H](c1ccc(F)cc1)OC21C(=O)c2ccccc2C1=O 100131333 GJYYRYPGPPBBPP-NJYVYQBISA-N 486.411 3.429 10 40 JGCB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2cccc([N+](=O)[O-])c2)C1=O 408528397 HNSMIIFCVWDXSK-XNTDXEJSSA-N 459.256 3.499 10 40 JGCB Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2Cl)cc1 408960668 HSMBJXYWZAKDOY-UHFFFAOYSA-N 457.939 3.265 10 40 JGCB O=C(O)CN1C(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)SC1=S 1083658 VALFODVLNARNTJ-FPYGCLRLSA-N 453.133 3.203 10 40 JGCB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCC1 9828391 VHEHCGLMPQRKCE-HSZRJFAPSA-N 450.583 3.278 10 40 JGCB C[C@H](OC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)C(=O)NC(=O)NC1CCCCC1 13108642 PTKSBMMIRVEXKI-INIZCTEOSA-N 450.491 3.456 10 40 JGCB Cc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1 20205647 BABXACPOKINJJK-JSIBOBQWSA-N 484.559 3.074 10 40 JGCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccccc12 20287315 NENLDZNCEMWQQA-HAHDFKILSA-N 461.478 3.448 10 40 JGCB O=[N+]([O-])c1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc3c2O)c([N+](=O)[O-])c1 263593146 AYCFJUKXFTYTGH-UHFFFAOYSA-N 498.407 3.271 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OC(C)=O 408765937 RWNIZPLXOHFJIR-OQLLNIDSSA-N 473.279 3.358 10 40 JGCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OC 1182340 ITTFHKUHKZJXBN-MLPAPPSSSA-N 489.278 3.252 10 40 JGCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OC 1205671 PDIIXVCQNUVZMY-ZSOIEALJSA-N 461.268 3.141 10 40 JGCB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)cc2)cc1 9310650 OUUVTUFZUFJQAJ-LICLKQGHSA-N 470.528 3.076 10 40 JGCB COc1ccc(N2CCN([C@H](c3cc4cccc(C)c4[nH]c3=O)c3nnnn3C(C)(C)C)CC2)cc1 19973073 BMPJNLDNTVOBIO-XMMPIXPASA-N 487.608 3.498 10 40 JGCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1Cc1ccccc1Cl 408868076 LGYQRDUGMHJURO-UHFFFAOYSA-N 496.688 3.293 10 40 JGCB COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=S)N=C2O)cc1 2801258 LASVYPAGSOTYSD-UHFFFAOYSA-N 461.293 3.432 10 40 JGCB COc1cc([N+](=O)[O-])ccc1/N=N/c1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1O 4416412 LJCLJTFFIGIRAA-VHEBQXMUSA-N 483.436 3.371 10 40 JGCB CCc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5C=C(C)SC5=NC4=O)cc3)nc2s1 20332115 BSFKXDCAGGKQOD-KZFMJZFPSA-N 478.559 3.459 10 40 JGCB O=C(COC(=O)c1ccc2c(c1)OCCCO2)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 21416237 XRAYRGACUOJNDO-UHFFFAOYSA-N 457.438 3.419 10 40 JGCB Cc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1 41077754 CUAQULLNVGBEBX-RYEIUNSYSA-N 498.586 3.383 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc(Br)c1O 409171459 BREBEVZKJJHCLP-XYOKQWHBSA-N 477.336 3.393 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 409210738 MGPRLGWDHNYKSY-ONNFQVAWSA-N 452.206 3.282 10 40 JGCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(C(=O)N4CCC(C)CC4)c3)CC2)cc1 408703617 UMSQMNFKJJUETF-UHFFFAOYSA-N 487.622 3.087 10 40 JGCB O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br 408786071 LALTZMJKYPLTEK-NTUHNPAUSA-N 479.670 3.232 10 40 JGCB COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCCCC4)cc3OC)C2=O)cc1 409249312 SYIXWJAWNJBAQF-STZFKDTASA-N 464.522 3.226 10 40 JGCB CCOC(=O)N1CCN(C(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)CC1 9045759 NLGZOOBUFDHTLV-SSZFMOIBSA-N 468.000 3.232 10 40 JGCB CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C/N1C(=O)/C(=C/c2cccc(O)c2)SC1=S 17223236 AVOVUJKJWVMOFW-SXYCWNMWSA-N 479.539 3.443 10 40 JGCB Cc1cc(C)cc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 408658799 IWZPUAWQTUINMS-ZRBLBEILSA-N 460.530 3.348 10 40 JGCB COCCN1C(=O)/C(=C/c2c(N(C)Cc3ccccc3)nc3ccccn3c2=O)SC1=S 2678598 PWAUTHUQVPXNDP-JXAWBTAJSA-N 466.588 3.179 10 40 JGCB Cc1ccccc1OCCCOc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1 20206140 WRGNZRGOYMDQMH-CQNRAENFSA-N 498.586 3.464 10 40 JGCB CCN1CCN(Cc2c(O)ccc3c(-c4cc5cccc(OC)c5oc4=O)cc(=O)oc23)CC1 20605045 HMMOLERIPRANRY-UHFFFAOYSA-N 462.502 3.418 10 40 JGCB biogenic COc1ccc(N2CCN([C@@H](c3cccc(OC)c3)c3sc4ncnn4c3O)CC2)cc1 22609918 UFXBTRBKZUAETP-FQEVSTJZSA-N 451.552 3.425 10 40 JGCB Cc1cc(C(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(C)n1-c1ccc2c(c1)OCO2 22793689 MHYVUACYDIZHGS-UHFFFAOYSA-N 492.551 3.401 10 40 JGCB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c1C 41084401 XXQRUJKGGWFVIU-MHHBVAOCSA-N 493.549 3.220 10 40 JGCB Cc1ccc(-c2cnc(SCC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)n2C)cc1 12627424 GFVWNRPRZCARDN-UHFFFAOYSA-N 484.647 3.162 10 40 JGCB CN(C)c1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(C(=O)c3ccco3)CC2)cc1 19584847 LZNBVCVJRRDDKL-HSZRJFAPSA-N 463.586 3.385 10 40 JGCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(Br)c(N4CCOCC4)o3)C(=O)NC2=S)c1 59249405 SCTVAOCDRARALJ-MHWRWJLKSA-N 490.379 3.327 10 40 JGCB CC1(C)C[C@@H](O)C[C@@](C)(CN/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)C1 6232548 SRTNTYUGBUHPJO-XVPPVNSVSA-N 464.360 3.083 10 40 JGCB CCN(CCO)C(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 8820050 DYEDVUWXTHHRLL-AQTBWJFISA-N 450.582 3.018 10 40 JGCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)N3CCCCC3)ccc21 9138141 KBTANDNRSWGDTE-JOCHJYFZSA-N 464.566 3.080 10 40 JGCB CCn1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 9574137 WIRATPZCJBTMMA-UHFFFAOYSA-N 457.534 3.130 10 40 JGCB COCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 13645222 PXAZYCDKDNZZPM-NNVWJYBBSA-N 472.636 3.333 10 40 JGCB COc1ccccc1NS(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2cccc3nsnc23)c1 19077791 CTFMNRHLOBUVBK-UHFFFAOYSA-N 492.560 3.007 10 40 JGCB COC(=O)[C@H](C)Oc1ccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)cc1 35201221 SPBMLRZCORSUCT-JYBCESJWSA-N 459.502 3.496 10 40 JGCB CS(=O)(=O)N(CCCC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(F)c(F)c1 225475008 IUIZJEOGCZIWSQ-UHFFFAOYSA-N 451.539 3.428 10 40 JGCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 408695146 QSSOVSRRBIOBIL-XDHOZWIPSA-N 481.480 3.256 10 40 JGCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 408913447 UROKONYGPJRILW-OQLLNIDSSA-N 473.938 3.013 10 40 JGCB O=C(Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)N1CCOCC1 409149224 ZGPXEZCOHGUOOJ-NDENLUEZSA-N 467.572 3.495 10 40 JGCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCC(N)=O)cc3)SC2=S)c(Cl)c1 409211270 LJKTWUREXGJYHH-SXGWCWSVSA-N 461.952 3.059 10 40 JGCB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2)C1=O 409252367 SDTHWALYFKQSBP-MOSHPQCFSA-N 453.520 3.207 10 40 JGCB O=C(O)c1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1 13066955 UWGZFWRMRLJZOF-UHFFFAOYSA-N 450.469 3.126 10 40 JGCB COc1ccc(/C=C2/SC(=S)N(CC(=O)OCC(=O)Nc3ccc(F)cc3F)C2=O)cc1 89438555 ZLUZNENFUMZKAM-CAOOACKPSA-N 478.498 3.357 10 40 JGCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)c1C 409144709 OSMFAAQDUUHPCM-FYJGNVAPSA-N 497.573 3.084 10 40 JGCB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)NC(=O)[C@H]2COc3ccccc3O2)c1C 13149113 DPGSBVKWWPNEDF-JOCHJYFZSA-N 498.919 3.396 10 40 JGCB COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(OC)c(C)c3)c3cccnc3)CC2)cc1 56896385 RMOTUDMDSNTNBN-VWLOTQADSA-N 496.633 3.249 10 40 JGCB COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)C(=O)NC2=S)c(OC)c1 409103523 CCCRNWYSJHBLBM-ZROIWOOFSA-N 490.379 3.364 10 40 JGCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(C)C)C3=O)c(N3CCN(C)CC3)nc12 1481299 PQEBMOWXEIDOEP-JXAWBTAJSA-N 471.652 3.002 10 40 JGCB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2151183 UABYVHZWHIGOCG-SLCIEKFFSA-N 465.600 3.086 10 40 JGCB biogenic O=C(O)CCN1C(=O)/C(=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 9209722 JJGCGZURZFKZHN-PTNGSMBKSA-N 471.491 3.302 10 40 JGCB COc1ccccc1N1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)CC1=O 9671115 YNQJWWQYVLCSCG-IFMALSPDSA-N 451.567 3.322 10 40 JGCB COc1ccc(N2CCN([C@@H](c3nnnn3CCc3ccc(OC)c(OC)c3)C(C)C)CC2)cc1 13505558 KLQDVDNBIUXOEE-RUZDIDTESA-N 480.613 3.461 10 40 JGCB CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\c1c(O)[nH]c(=O)n(-c2ccccc2)c1=O 16160849 QBYYAOXMKMZYEN-UVTDQMKNSA-N 457.273 3.344 10 40 JGCB CC(=O)Nc1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc3c2O)cc1 25693783 BCHLQGHKTNGLNI-QZQOTICOSA-N 465.465 3.413 10 40 JGCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(O)c(OCC)c3)C2=O)cc1OC 409135349 YQWLJJVJPXUOGW-GZTJUZNOSA-N 454.479 3.250 10 40 JGCB CN1CCN([C@@H](CNC(=O)c2ccccc2Br)c2ccc3c(c2)CCN3C)CC1 22733760 AEQBJQMABLVCDK-QFIPXVFZSA-N 457.416 3.160 10 40 JGCB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)cc1 25053878 DBPBOCQRJJOHSN-UHFFFAOYSA-N 465.575 3.443 10 40 JGCB COc1ccc(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c(F)c1 98002890 GXQQGQCGYIXYJM-NVMNQCDNSA-N 460.508 3.194 10 40 JGCB Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 103586318 SKXSUGHVGYLNAZ-RNDHPAASSA-N 494.552 3.101 10 40 JGCB CC1=C2[C@H](CCS2(=O)=O)[C@]2([S@@](=O)Cc3ccccc3)C(=O)c3ccccc3C(=O)[C@@H]2C1 8951195 VNNLTWNZHDGZPB-XWUGJBEBSA-N 454.569 3.482 10 40 JGCB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1 260816638 XYEJOOJCLLCACC-MOPGFXCFSA-N 459.612 3.402 10 40 JGCB COCCCNC(=O)Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21 409131140 MBOYFLGORMMJHA-SYERDGIWSA-N 473.620 3.174 10 40 JGCB Cc1cc(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)c(C)n1-c1ccc(F)cc1 8726053 SLXCLRHLPKHHMP-UHFFFAOYSA-N 469.538 3.436 10 40 JGCB CCCC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)SC1=S)C(=O)O 8870155 HKJJPWDMZWCKQP-COYFKBPASA-N 480.608 3.445 10 40 JGCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(O)cc1 223142421 JLKXNUNNQMPEDV-RPBOFIJWSA-N 477.634 3.499 10 40 JGCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1C 223582549 CBWCNZXEPJEGIR-VXKWHMMOSA-N 467.551 3.371 10 40 JGCB Cc1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)c1 408655437 CYBVCQCGRJFZTK-FUPPJEDESA-N 460.530 3.348 10 40 JGCB