smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOc1cc(/C=C2\SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)ccc1O 1240741 RCFPWOQJYCPTBJ-YBEGLDIGSA-N 401.465 3.895 10 40 HHCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)O 3768534 RMYHYVNLPKYCTD-GZTJUZNOSA-N 415.492 3.955 10 40 HHCB Cc1ccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 13007820 KKYJEFNECIZZID-DEOSSOPVSA-N 407.558 3.710 10 40 HHCB CCCC12CN3CC(CCC)(CN(C1)C3c1cc(Br)ccc1O)C2O 19326274 RIBMAIBRFSULLX-UHFFFAOYSA-N 409.368 3.732 10 40 HHCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C1=O 409095702 IFLMZFQYHRRIHQ-LFMVTYOGSA-N 402.447 3.831 10 40 HHCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCCC2 4201041 QERIVNSKODKBSH-KOZAUXTDSA-N 403.500 3.655 10 40 HHCB Cc1ccccc1OCCOCCOc1ccc(/C=C2\SC(=S)NC2=O)cc1 4672506 LJFFDLVKHZYRAA-RGEXLXHISA-N 415.536 3.958 10 40 HHCB O=C1N=C(N2CCCC2)S/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 4942565 DPTSRNZBNGMMQN-NBVRZTHBSA-N 414.508 3.520 10 40 HHCB COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)c(OC)c1 12391582 ZPRJAQRYFSCXQQ-KRWDZBQOSA-N 420.465 3.752 10 40 HHCB O=C1/C(=C/c2cccc(C(F)(F)F)c2)SC(=S)N1CCCN1CCOCC1 14190513 DVSTYNRLVLETBT-QINSGFPZSA-N 416.490 3.629 10 40 HHCB CN(C)c1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)cc1 48988447 GBVRWHCUDWIUBK-UHFFFAOYSA-N 411.527 3.532 10 40 HHCB CCc1cccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(F)cc32)c1 48988587 SHRAVOKXEUPUBL-UHFFFAOYSA-N 400.475 3.777 10 40 HHCB CCN(CC)c1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)cc1 59139683 GOPLUWDOESHOPM-UHFFFAOYSA-N 424.570 3.539 10 40 HHCB O=C(NCCO)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 409370351 PHFPULDFDHURHV-MBOZVWFJSA-N 413.315 3.998 10 40 HHCB COc1ccc(N2CCN(CCCNC(=S)Nc3ccc(Cl)cc3)CC2)cc1 4624715 JWMOGTMPHZXKTP-UHFFFAOYSA-N 418.994 3.847 10 40 HHCB CCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1 22665580 HHKZIPSQVQBOBO-QHCPKHFHSA-N 412.553 3.671 10 40 HHCB CN(C)c1ccc(/C=C/C(O)=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 101375769 ZUIDECWFDUILAI-RCBDGTOLSA-N 411.845 3.514 10 40 HHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 223707118 SPXKZGFVMFSBTE-FGZHOGPDSA-N 420.538 3.716 10 40 HHCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 708686 RLUTXHNLZIYJRF-LDADJPATSA-N 411.914 3.772 10 40 HHCB CCOc1ccccc1NC(=O)CN1C(=O)/C(=C/c2cccs2)SC1=S 1265983 LJQLOAMDYPIABA-GDNBJRDFSA-N 404.538 3.987 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1OC 12273945 CUGTXKJHOOCVTP-PXNMLYILSA-N 417.464 3.513 10 40 HHCB COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)on2)cc1 19718905 ABRCSHDXDMXGSD-MRXNPFEDSA-N 407.470 3.678 10 40 HHCB O=C1C[C@@H](c2ccncc2)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96114170 MJTFGJNFTZONSL-AWEZNQCLSA-N 401.374 3.707 10 40 HHCB biogenic CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 409181252 ADXPYNYHENFCNP-CPNJWEJPSA-N 409.511 3.990 10 40 HHCB Cc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)cc1Cl 59109577 JLSJLFSLPROVOS-UHFFFAOYSA-N 401.919 3.655 10 40 HHCB CN(C)c1ccc(/C=c2\sc3nnc(-c4ccc(C(C)(C)C)cc4)n3c2=O)cc1 9189176 WTCIHXCELNAWPV-RGEXLXHISA-N 404.539 3.729 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)c1 4063592 RERIUOHVOFDXAY-SSZFMOIBSA-N 413.524 3.710 10 40 HHCB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 5005487 MKCJEPVVFOFTJD-VBKFSLOCSA-N 413.480 3.825 10 40 HHCB Cc1cccc(C)c1NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 5711375 SXMKACXSJOUWJG-UHFFFAOYSA-N 413.429 3.874 10 40 HHCB C[C@@H]1CCCN(c2nc(O)c3c(n2)CN(Cc2c(O)ccc4ccccc24)CC3)C1 72347344 XHMAQZVKFYSCNS-MRXNPFEDSA-N 404.514 3.836 10 40 HHCB COc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3ccco3)SC2=S)c1 1868062 YZFQPBAAGUVSSM-VBKFSLOCSA-N 402.497 3.908 10 40 HHCB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@@H]3C2=O)c1 13617748 LHCMQUIDDUZMNR-FKBYEOEOSA-N 400.434 3.752 10 40 HHCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 14133204 RXGHKQBVHGWJFP-XMHGGMMESA-N 419.481 3.660 10 40 HHCB CC(C)=C[C@@H]1[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)C1(C)C 27662885 LFUJDIBEYVPDBD-NJYVYQBISA-N 418.603 3.507 10 40 HHCB Cc1cc(C)cc(Cc2ccc3ccccc3c2C=C2C(=O)NC(=S)NC2=O)c1 408865523 BAPKTMQXIUCQMP-UHFFFAOYSA-N 400.503 3.962 10 40 HHCB COc1cccc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c1 4603395 ALMGFPWKVNVIDV-PDGQHHTCSA-N 401.509 3.984 10 40 HHCB COc1ccc2ccc(O)c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1 23382086 XDEPWSAXLWSTJJ-UHFFFAOYSA-N 406.482 3.601 10 40 HHCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 408798369 DTMXSPUYBGOAKM-XSFVSMFZSA-N 414.417 3.638 10 40 HHCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3OC(C)C)C2=O)cc1 409011977 IHCURWCFNMAHIC-QGOAFFKASA-N 408.454 3.711 10 40 HHCB O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)Nc3nc4ccccc4s3)ccc21 3832804 ZIHRPFXZJPLOMT-UHFFFAOYSA-N 420.471 3.873 10 40 HHCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(C4CCCC4)c3C)C2=O)o1 108120044 HJOVTHJCDKGDGY-WQRHYEAKSA-N 411.458 3.693 10 40 HHCB O=C1NC(=S)S/C1=C\c1cc([N+](=O)[O-])ccc1OCCCOc1ccccc1 2856669 MFCRXJWCQCEKLH-ATVHPVEESA-N 416.480 3.932 10 40 HHCB Cc1cc(C(=O)NCc2ccccc2CN2CCOCC2)c(C)n1-c1ccccc1 24378713 GXNFSTPSMNBQMM-UHFFFAOYSA-N 403.526 3.856 10 40 HHCB CC1(C)c2ccccc2N2CCC(=O)N[C@@]21/C=C/c1ccc(N2CCOCC2)cc1 2296118 BTAYNEZCOXSBII-BVYAJCBJSA-N 403.526 3.550 10 40 HHCB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C(=O)O)cc1 4679402 WBRNYUCRCLWKMP-NDENLUEZSA-N 415.474 3.563 10 40 HHCB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)c1 223839403 ZIJUTIVMGUPMIV-UHFFFAOYSA-N 409.463 3.813 10 40 HHCB COc1ccc2c(c1)CCCN2CC(=O)Nc1ccnn1Cc1cccc(Cl)c1 32858071 WHGWNLKVDXOMJN-UHFFFAOYSA-N 410.905 3.985 10 40 HHCB Cc1ccc(OCCOCCOc2cccc(/C=C3/SC(=S)NC3=O)c2)cc1 16309030 SFXBXFURSYMUQM-XMHGGMMESA-N 415.536 3.958 10 40 HHCB O=C1c2ccccc2N[C@@H](c2cccc(Br)c2O)N1C[C@@H]1CCCO1 54681729 XAZFSJNVTDYTDT-KPZWWZAWSA-N 403.276 3.900 10 40 HHCB O=C(OCn1nnc2ccccc2c1=O)c1ccccc1/N=N/c1ccc(O)cc1 6053191 OYWZFDQBFRAXLO-GHVJWSGMSA-N 401.382 3.727 10 40 HHCB CCc1ccc(N2C(=O)/C(=C\c3c(C)n(C)c4ccccc34)C(=O)NC2=S)cc1 4711361 HDDJLFCJWNJUBC-UYRXBGFRSA-N 403.507 3.880 10 40 HHCB COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCOCC1 222608410 BIESKFCOZOJWPW-ONGXBYRLSA-N 410.543 3.516 10 40 HHCB Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1C(N)=O 223282195 RKOUEWQXMNYHOH-UHFFFAOYSA-N 407.904 3.672 10 40 HHCB COc1ccc(N(C)CCNC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 225799221 CHBOBVDWTWAWCG-UHFFFAOYSA-N 412.559 3.553 10 40 HHCB CCCCCOc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1OC 1779377 JUTKGCDFJHMFPO-IEMQHYRPSA-N 409.529 3.939 10 40 HHCB COc1cccc([C@@H]2CCCN2Cc2cc(OC)c(N3CCOCC3)cc2OC)c1 19715737 SEBUYJLZCPXRAY-NRFANRHFSA-N 412.530 3.886 10 40 HHCB CN(C)c1ccc(/C=C2/SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1 1441395 DNSMIDIOTOYXID-HMMYKYKNSA-N 410.518 3.684 10 40 HHCB Cc1cc(/C=C2\C(=N)N3N=C(C4CC4)SC3=NC2=O)c(C)n1-c1ccccc1O 5369568 UCENKAZFXGGDPO-BXODQFHZSA-N 405.483 3.829 10 40 HHCB COc1ccc(N2CCN(C(=O)CSc3cc(C)c4ccccc4n3)CC2)cc1 5392549 JSZSAFPZLWRZLL-UHFFFAOYSA-N 407.539 3.993 10 40 HHCB O=C1/C(=C2\SC(=S)N(Cc3ccco3)C2=O)SC(=S)N1Cc1ccco1 8870030 ZUOMOGHHUNWZFX-VAWYXSNFSA-N 422.534 3.505 10 40 HHCB O=C(COC(=O)/C=C/c1cccs1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9138758 HKZBFKOKRLTKQY-CSKARUKUSA-N 417.442 3.719 10 40 HHCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 23745121 NYAUMTDRHKPKMJ-UHFFFAOYSA-N 423.538 3.826 10 40 HHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 223706966 SPXKZGFVMFSBTE-VXKWHMMOSA-N 420.538 3.716 10 40 HHCB CN(C)c1ccc(N2C(=O)/C(=C\c3ccccc3OCC(=O)O)SC2=S)cc1 409345892 MAXRDPZZDPBWBA-GZTJUZNOSA-N 414.508 3.622 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)c1OC 8911493 BLDGGQFSEYDOEA-NVNXTCNLSA-N 417.464 3.513 10 40 HHCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccn1Cc1ccc(Cl)cc1 13570603 BFSUWRJHRNPRPM-XDHOZWIPSA-N 423.831 3.995 10 40 HHCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)N2CCCC2)cc1 15970834 FJKKGIYVDZUNMO-ICDZXHCJSA-N 413.606 3.823 10 40 HHCB biogenic CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OCC 408816072 SKGCEXDRSDYRLQ-QGOAFFKASA-N 424.453 3.549 10 40 HHCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)c2C)nc1 409086901 HVWMVLRLYRTERN-RQZCQDPDSA-N 413.499 3.785 10 40 HHCB Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccccc2C)C(=O)NC1=S 409236478 GXKJJZQJXIDDBG-NBVRZTHBSA-N 401.491 3.925 10 40 HHCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(Cl)c3)SC2=S)cc1 34799034 OFASOOJBGKWCMJ-XNTDXEJSSA-N 404.900 3.895 10 40 HHCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3cccc(NS(C)(=O)=O)c3)cc2)C1 260453354 KQJVUIRXEFANIG-DLBZAZTESA-N 415.559 3.785 10 40 HHCB O=C1/C(=C/c2coc3ccccc3c2=O)SC(=S)N1c1ccc2c(c1)OCO2 409370127 LPFIUNXZWSAHJB-IDUWFGFVSA-N 409.444 3.928 10 40 HHCB CCCOC(=O)CN1C(=O)/C(=C/c2ccc(OCCC)c(OC)c2)SC1=S 1809402 TZQJBEMUHBFVBM-WJDWOHSUSA-N 409.529 3.638 10 40 HHCB Cc1cc(C)c(S(=O)(=O)Nc2cc(Sc3ncn[nH]3)c(O)cc2C)c(C)c1 4735807 PZPDJFXKAMWKLD-UHFFFAOYSA-N 404.517 3.696 10 40 HHCB CN1C(=O)/C(=C\c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)SC1=S 8870017 SJIWQEBUXPRVAC-XDHOZWIPSA-N 421.547 3.971 10 40 HHCB CCCn1cc(/C=C2\C(=O)N=C(O)N(c3cccc(OC)c3)C2=O)c2ccccc21 2195088 QSZPQMVBWYDDCQ-XDHOZWIPSA-N 403.438 3.931 10 40 HHCB CCOc1cc(C[C@H]2SC(=S)N(CC)C2=O)cc(Br)c1OC 6952971 DWBINLANXGURAF-GFCCVEGCSA-N 404.351 3.648 10 40 HHCB Cc1ccc(C)c(N2C(=O)/C(=C3/C(=O)N(CC(=O)O)c4ccccc43)SC2=S)c1 8821638 DRVBZXCTHHAXRQ-ZCXUNETKSA-N 424.503 3.511 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)Oc1ccc(Cl)cc1 10907012 JAZZIOYRBXJYNJ-UHFFFAOYSA-N 402.922 3.993 10 40 HHCB CCN(CC)c1ccc(CN(C(=O)c2cccc(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 27745100 OHRJEELQIJHJHM-QFIPXVFZSA-N 414.571 3.671 10 40 HHCB Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCN(Cc2ccccc2)CC1 32724419 QHCGFDGOVJENTF-UHFFFAOYSA-N 406.555 3.524 10 40 HHCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(C(=O)N2CCOCC2)cc1 95471471 TUAZILMVTKLMEA-ZHZULCJRSA-N 424.888 3.531 10 40 HHCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc3c(c2)CCCN3C)SC1=S 102735118 LPMHWPBUPFMTRI-FDIDWWNZSA-N 404.557 3.770 10 40 HHCB Cc1ccc(/N=N\c2ccc(O)c(/C=C/c3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])c2)cc1C 106106731 VDZPQHXKGAUXCC-PUCKDFHESA-N 407.386 3.880 10 40 HHCB CC(C)C[C@H](NS(=O)(=O)c1ccc(N=Nc2ccc(N(C)C)cc2)cc1)C(=O)O 255970625 DYCBTNVNACPQRN-IBGZPJMESA-N 418.519 3.946 10 40 HHCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc2c(c1)OCCO2 409043307 YUUHHVPCFQLMHU-POHAHGRESA-N 410.298 3.959 10 40 HHCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1Cl 409394216 XGYXEMYTQRWBCG-GZTJUZNOSA-N 406.829 3.501 10 40 HHCB CCOc1ccc(/N=N/[C@@H]2C(=O)N(C(=O)CC(=O)Nc3ccc(C)cc3)N=C2C)cc1 102971742 SPNIVWLVNYTIJT-PWKIUMOWSA-N 421.457 3.620 10 40 HHCB CC1=CC2=NC(=O)/C(=C\c3cc(C)n(-c4cc([N+](=O)[O-])ccc4C)c3C)C(=N)N2O1 20236962 BYBPJPYIXAMBNE-AXUMHFPESA-N 405.414 3.761 10 40 HHCB CCCC[C@@H](CC)COCCCN/C=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 19707321 JZTFAHZEIWARHU-UFSZVFTQSA-N 415.534 3.674 10 40 HHCB CSc1cccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(F)cc32)c1 48988622 BECAXIYFACZNAF-UHFFFAOYSA-N 418.515 3.937 10 40 HHCB COc1ccc2c(c1)c(/C=C1\SC(=S)N([C@@H](C(=O)O)C(C)C)C1=O)c(C)n2C 9422887 BHQZUWYYWICPGE-VHEJECIDSA-N 418.540 3.806 10 40 HHCB COc1ccccc1C1(NCc2ccc(O)c(CN3CCN(C)CC3)c2)CCCC1 22915064 RPPFBSOBPQSHEU-UHFFFAOYSA-N 409.574 3.707 10 40 HHCB CCc1ccccc1N/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1CC(=O)OC 112127270 VKSJNFDZPWNKSG-JCMHNJIXSA-N 407.470 3.909 10 40 HHCB CCN(CC)c1ccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 225610695 LRMBPZOSCLSVRO-UHFFFAOYSA-N 423.966 3.512 10 40 HHCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)cc1OC 408794617 JANBMUNBCBWRMY-NDENLUEZSA-N 423.465 3.585 10 40 HHCB COc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)c2C)cc1 409210664 GCEVTGVNODVPPV-STZFKDTASA-N 415.449 3.769 10 40 HHCB COc1ccc(-c2cnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2C)cc1 7423712 QPGAVROWRPJWQE-UHFFFAOYSA-N 413.499 3.844 10 40 HHCB COc1ccc(N2CCN(C(=O)c3ccc(CN4CCC[C@@H](C)C4)cc3)CC2)cc1 20107081 TWIZBGMFHOEBMJ-HXUWFJFHSA-N 407.558 3.890 10 40 HHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Br)s2)C1=O 409247295 MDEJZFKBLNCSKE-PKNBQFBNSA-N 421.272 3.576 10 40 HHCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2OC)C1=O 409252488 SDHHTZBJVCTMIQ-CRRKTRLDSA-N 418.515 3.673 10 40 HHCB Cc1cc(O)c(S(=O)(=O)c2ccccc2)c(C)c1NS(=O)(=O)c1ccccc1 1085788 KVEHADLCINFIAP-UHFFFAOYSA-N 417.508 3.643 10 40 HHCB Cc1cccc(-n2c(C)cc(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)c2C)c1 46360818 JNBNJSZWOGGTKX-UHFFFAOYSA-N 416.481 3.707 10 40 HHCB CC[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 107611790 NTRCUWKMEWGLFQ-ZENNRRHLSA-N 415.833 3.887 10 40 HHCB Cc1cc(C(=O)CSc2nncn2C)c(C)n1-c1ccc(Br)cc1 3396495 LNJSWZXUPVZDJI-UHFFFAOYSA-N 405.321 3.960 10 40 HHCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccccc3Br)S2)CC1 9187885 LCOCHMKOFQUEFV-PTNGSMBKSA-N 423.332 3.695 10 40 HHCB COc1ccc(N2CCN(C(=O)CCc3ncc(-c4ccc(F)cc4)o3)CC2)cc1 41019250 VNHLXTFSZBNSBV-UHFFFAOYSA-N 409.461 3.771 10 40 HHCB COc1ccc(NC2(NC(=O)c3ccc(C)cc3)C(=O)c3ccccc3C2=O)cc1 226297770 XPXHCUONQWSKIH-UHFFFAOYSA-N 400.434 3.621 10 40 HHCB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cccn1-c1ccccc1F 409015658 PEMRNQNGEJZHHG-FOWTUZBSSA-N 409.417 3.587 10 40 HHCB COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(C)c(C)c4)C3=O)o2)c1 666626 DERQLWVPWRZIBV-DEDYPNTBSA-N 416.433 3.811 10 40 HHCB COc1ccccc1C(=O)NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 1298946 OEBNWNRHWPGSRX-YVLHZVERSA-N 409.492 3.723 10 40 HHCB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccc(N(C)C)cc1 10057071 HQSKSTKSGAEHDH-UHFFFAOYSA-N 401.514 3.814 10 40 HHCB Cc1cccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 13007814 AJAFXHWMRWJPAE-XMMPIXPASA-N 407.558 3.710 10 40 HHCB COc1ccc(-c2noc(C3=C(C)NC(=S)N[C@H]3c3ccc(N(C)C)cc3)n2)cc1 20745519 HORYQYUDNFEEEQ-IBGZPJMESA-N 421.526 3.761 10 40 HHCB COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O 1197386 VZZRGJYMJURBGG-XDHOZWIPSA-N 404.397 3.650 10 40 HHCB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)N2C(=O)CSC2=N1 5482451 VWNFXPLHGSDMHY-FQEVSTJZSA-N 406.511 3.651 10 40 HHCB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@H]2C(=O)N1c1ccccc1F 13750695 OHQXLPGMIWWSJL-NJDAHSKKSA-N 404.397 3.582 10 40 HHCB CSc1cccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)c1 38655242 IXUBHBWVNKNQSH-UHFFFAOYSA-N 400.525 3.798 10 40 HHCB COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 205762143 MGPINXRVEIGTQI-VGOFMYFVSA-N 421.814 3.508 10 40 HHCB COc1ccc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)c(OC)c1 408645905 MNGZCYQAEKIPSP-UHFFFAOYSA-N 408.454 3.907 10 40 HHCB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc2ncccc2c1 409123758 DQCDZXCVFJTIRK-VCHYOVAHSA-N 407.451 3.763 10 40 HHCB CN1CCc2cc([C@H](CNC(=O)c3ccc(Br)o3)N3CCCC3)ccc21 8963324 DWXJMHNUOUQJLP-KRWDZBQOSA-N 418.335 3.601 10 40 HHCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 223707056 SPXKZGFVMFSBTE-FCHUYYIVSA-N 420.538 3.716 10 40 HHCB Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)OC(C)(C)OC3=O)c2)cc1C 409012065 IRNGOWDTUKNVSL-UHFFFAOYSA-N 409.438 3.540 10 40 HHCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 5371594 CKOPVRIIUBFCOU-ZFZMKPAXSA-N 404.307 3.743 10 40 HHCB COc1cc(Br)c(C[C@H]2SC(=S)N(CC(C)C)C2=O)cc1OC 6326141 JBIYMRLLJXLEKU-CQSZACIVSA-N 418.378 3.894 10 40 HHCB COc1ccc(N2CCN(C[C@@H](O)CCO[C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)CC2)cc1 57646667 AJDHPXQJIJMMJH-YTWNAQTBSA-N 416.606 3.800 10 40 HHCB CCCC[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 57670687 BYXPSODUIRDAKQ-HSZRJFAPSA-N 420.561 3.784 10 40 HHCB C[C@H](C(=O)Nc1cccc(C(=O)O)c1)N1C(=O)/C(=C\c2cccs2)SC1=S 62825008 QZAPNTGPYHULRL-GMROUXNLSA-N 418.521 3.675 10 40 HHCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)ccc1O 12273947 UWNHMBPMCGBAIX-PXNMLYILSA-N 417.464 3.601 10 40 HHCB CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 13517445 ANGUDMWXEAAKLO-ZHZULCJRSA-N 416.433 3.914 10 40 HHCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc(C(=O)O)c(O)c1 16160738 KSVMPPNIYYBYOY-DHDCSXOGSA-N 416.231 3.571 10 40 HHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCCCCC2)o1 408899579 PGWOWOLMQCILIA-GHRIWEEISA-N 413.861 3.980 10 40 HHCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccccc12 103916526 COFPOIILNVVWIW-STZFKDTASA-N 403.442 3.905 10 40 HHCB CN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)SC1=S 408724109 FLRDATFJHNPBTI-XNTDXEJSSA-N 400.437 3.645 10 40 HHCB CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(OC)c3)c2C)C1=O 4687753 ZKLGUTFXKPKTQT-VCHYOVAHSA-N 414.483 3.702 10 40 HHCB O=C1/C(=C/NCc2cccnc2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 5338684 KKVAZBAKESYVKV-ZRDIBKRKSA-N 403.389 3.630 10 40 HHCB COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(Br)cc3)CC2)cc1 57548043 WFFWXEVNCVWGDA-OAHLLOKOSA-N 418.335 3.607 10 40 HHCB CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 101997218 DGHHDANZEPTKRU-YTFSRNRJSA-N 413.477 3.804 10 40 HHCB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 217026147 XCKLOIFNYZGSJG-FQEVSTJZSA-N 401.938 3.566 10 40 HHCB CN1c2ccccc2C(c2ccccc2)=C(C(=O)N2CCc3ccccc32)S1(=O)=O 219181399 RPBPKDDHGHZALA-UHFFFAOYSA-N 416.502 3.815 10 40 HHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1C(=O)O 222742137 VWUDCVPGEHQRIB-UXHICEINSA-N 406.511 3.790 10 40 HHCB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 225838998 QHAFHSAUQNOYKW-MRXNPFEDSA-N 413.543 3.748 10 40 HHCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1ccc2c(c1)n(C)c(=O)n2C 408533953 UDXDORDLJCWTHC-WJDWOHSUSA-N 409.877 3.557 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1Cl 408981882 CPNSSDOIGILVNO-SDQBBNPISA-N 420.208 3.876 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)c1OC 5477634 DATLKRREYCZTGQ-WJDWOHSUSA-N 414.508 3.558 10 40 HHCB C[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)c1ccc(N2CCCCC2)cc1 19661775 ITVYXYXQDQRTQU-GOSISDBHSA-N 404.514 3.654 10 40 HHCB Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)o2)cc1 409394052 UYDGAXBXCHAAEQ-SFQUDFHCSA-N 405.435 3.801 10 40 HHCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cc(Cl)ccc1O 1840418 RZGWUZISXDSIEP-NTUHNPAUSA-N 410.929 3.947 10 40 HHCB O=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(=S)N1CCS(=O)(=O)O 27017051 OKFVDAYJKOBFBY-FOWTUZBSSA-N 421.521 3.568 10 40 HHCB CCc1nn2c(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)c(-c3ccccc3)nc2s1 41074288 RHMSEOHBRBXQBR-SQQRRHNYSA-N 421.511 3.659 10 40 HHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(F)c1 223576221 XTHMPSXHKFQKMO-NHCUHLMSSA-N 410.518 3.593 10 40 HHCB COC(=O)C[C@@H](c1ccco1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96222122 IWNCCTVWGNOEGA-ZDUSSCGKSA-N 422.389 3.865 10 40 HHCB biogenic COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(O)c3)C2=O)cc1 12733596 KPNUJDBZEVRYLO-BOPFTXTBSA-N 414.508 3.631 10 40 HHCB O=C(O)c1cccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)o2)c1 2116500 OIJLHUPTLVXSOM-WQRHYEAKSA-N 406.369 3.877 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc12 4723785 ZJXRYRZDZDDANS-LDADJPATSA-N 406.438 3.819 10 40 HHCB O=C1N=C(O)/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 1200567 MQGBSWAVCIXXJY-QGOAFFKASA-N 402.366 3.892 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 1504674 SURLTOIYFVTEOB-GDNBJRDFSA-N 404.900 3.895 10 40 HHCB CCCCN1C(=O)[C@H]2[C@@H](c3ccc(N(C)C)cc3)N(c3ccccc3C)O[C@H]2C1=O 101997272 UUVFPIFGOGYEQR-BHDDXSALSA-N 407.514 3.708 10 40 HHCB CC(C)(C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 108898196 MJYDHUNFUZBXIR-ZROIWOOFSA-N 415.833 3.887 10 40 HHCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)c(OC)c3)N21 222691669 UEKXNKADAFILLU-ZPMCFJSWSA-N 424.570 3.906 10 40 HHCB O=C(CSCc1ccc(Cl)cc1F)NCc1ccc(N2CCOCC2)cc1 225851105 LUABKRISEPSEIG-UHFFFAOYSA-N 408.926 3.865 10 40 HHCB Cc1cc(/C=C2\NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 408594913 PWWPTMWNICMVLB-BKUYFWCQSA-N 415.449 3.738 10 40 HHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCCCC4)o3)C2=O)c1 408901343 XIMKNQBSYZYNIA-XMHGGMMESA-N 407.470 3.943 10 40 HHCB COc1ccc(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OC 4178617 FPQMBKIKCICAPW-UHFFFAOYSA-N 401.418 3.660 10 40 HHCB biogenic CC(=O)Nc1cccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 5643711 GSXMQEDTHYPIDU-UHFFFAOYSA-N 405.454 3.848 10 40 HHCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 8405587 WDKPHAMLUJZRCC-KNQAVFIVSA-N 408.498 3.562 10 40 HHCB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1c(O)ccc2ccccc12 13008198 VKJDVHHYOYJLHW-MRXNPFEDSA-N 403.482 3.741 10 40 HHCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 408843946 AMMQMROEAMAXAR-LFIBNONCSA-N 416.275 3.685 10 40 HHCB COc1cc([C@@H]2CC(=O)Nc3nc(Nc4ccccc4)sc32)c(OC)c(O)c1O 15110029 PJSIOANFCJTRII-LBPRGKRZSA-N 413.455 3.789 10 40 HHCB Cc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1[N+](=O)[O-] 22000998 QDXJEDOJIOZLKP-UHFFFAOYSA-N 420.428 3.736 10 40 HHCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccccc3NS(C)(=O)=O)cc2)CC1 218396764 YXDPFTVBXTTWJU-QGZVFWFLSA-N 415.559 3.785 10 40 HHCB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)c2C)cc1 223575271 PQXSGCVJAOVMBR-YADHBBJMSA-N 406.555 3.762 10 40 HHCB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)nc1 223623408 NLPLDHDHCJFLIU-FGZHOGPDSA-N 421.570 3.547 10 40 HHCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)NC2=S)c1 409018568 HSQWXHFDFOPZBP-DEDYPNTBSA-N 417.490 3.631 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)n(C)c(=O)n4C)SC2=S)c(C)c1 409338444 KBCRUADSAOQSEK-WQRHYEAKSA-N 409.536 3.900 10 40 HHCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(N(C)C)cc2)C1=O 5571320 GHAGOTSDBPELQR-HMMYKYKNSA-N 414.465 3.518 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C(O)=NC2=S)cc1 5895997 KITZWLZQJGMAKN-XMHGGMMESA-N 407.495 3.503 10 40 HHCB COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)cc1 57548195 WIOVUJGXHJIMSS-HXUWFJFHSA-N 422.573 3.835 10 40 HHCB CC1=NN(c2ccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)cc2)CC1 58407009 YZVUDAXGEMZHIG-HDICACEKSA-N 424.520 3.955 10 40 HHCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)cc3OC)N21 222691335 REWSSYDPRMTTMP-WQTXXOFMSA-N 424.570 3.906 10 40 HHCB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O 408801679 WWQVLDHFZZBRTJ-CXUHLZMHSA-N 414.845 3.722 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc1 408858308 YEQMPUMONPNDJZ-QGOAFFKASA-N 424.453 3.549 10 40 HHCB CCCOc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1Br 409352746 YMCGLRWSWJHWCO-KPKJPENVSA-N 416.318 3.524 10 40 HHCB Cc1ccc(C)c(N2C(=O)N=C(O)/C(=C\c3ccc(N(C)C)c([N+](=O)[O-])c3)C2=O)c1 5023160 YDPNDYAFPIKCKK-XNTDXEJSSA-N 408.414 3.784 10 40 HHCB O=C(COC(=O)/C=C/c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 5113465 JNIWRPRGXRMRDM-BUHFOSPRSA-N 411.413 3.657 10 40 HHCB COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2c2ccccc2)ccc1O 5879781 XMEGEMPYBOKOBI-UNOMPAQXSA-N 414.417 3.934 10 40 HHCB COc1ccc([C@@H](c2ccc3c(OC)cccc3c2O)N2CCN(C)CC2)cc1OC 20647539 NZGNRGKEHRTWHZ-DEOSSOPVSA-N 422.525 3.908 10 40 HHCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2nccs2)C1=O 27530480 AWZPCSYAJDIIME-USTLKGCXSA-N 401.538 3.929 10 40 HHCB N=C1/C(=C/c2coc3ccccc3c2=O)C(=O)N=C2SC(Cc3ccccc3)=NN12 41076248 DURWAFWKPFAWGM-LFSVSOHWSA-N 414.446 3.655 10 40 HHCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O)N1CCCCC1 106756553 OZVCAQXVYFKNAA-CYVLTUHYSA-N 413.543 3.726 10 40 HHCB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O 409232565 RGASVYTXCDEKJR-XNTDXEJSSA-N 400.887 3.797 10 40 HHCB COc1cc(/C=C2/C(=O)NN(c3cccc(F)c3)C2=O)ccc1OCc1ccccc1 623593 KRPNZLNLWGWQRK-NDENLUEZSA-N 418.424 3.875 10 40 HHCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S 2404690 IQZWBSSGORRXDI-BUYRESAOSA-N 406.554 3.586 10 40 HHCB O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 5024836 PEHPTHXPLGXNJS-JLHYYAGUSA-N 412.470 3.988 10 40 HHCB CCCOC(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 5597438 RSQZXOIKXWZIMK-RAXLEYEMSA-N 414.346 3.994 10 40 HHCB Cc1ccc(-n2c(C)cc(C(=O)CN(C)Cc3nc4ccccc4c(=O)[nH]3)c2C)cc1 12645263 YNCYYXUCYZMMSF-UHFFFAOYSA-N 414.509 3.954 10 40 HHCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCSc1ccc(C)cc1 17093636 AUJNHSHGEVFEND-XLNRJJMWSA-N 423.538 3.917 10 40 HHCB CC(C)N1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@H](c1ccccc1O)N2 65297921 DKNBTSNKQUQKMF-HXUWFJFHSA-N 407.514 3.845 10 40 HHCB biogenic CN1CCN(c2ccc(CNC(=O)CCCOc3ccc(Cl)cc3)cc2)CC1 216946773 OLLUPCOUPHBAQP-UHFFFAOYSA-N 401.938 3.567 10 40 HHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc2c(c1)OCO2 222745174 ONDBVEFAKGCJKX-LEWJYISDSA-N 406.511 3.820 10 40 HHCB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/NNc1cccc(Cl)c1 408529188 INYNDHXGKNRNJB-SFQUDFHCSA-N 406.829 3.577 10 40 HHCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1O 408981405 AWSWJGYJSZCSBF-DHDCSXOGSA-N 414.845 3.673 10 40 HHCB CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OC(C)=O 409204832 LIZFASSIWLVWPC-WOJGMQOQSA-N 416.524 3.966 10 40 HHCB Cc1c(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1C 4711416 YUBPPZIHWNLLIA-BOPFTXTBSA-N 409.898 3.971 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3O)C2=O)cc1 13603242 RFWJPTMITCGCBK-ATVHPVEESA-N 414.508 3.631 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(OC)c1 13714204 YFSHYIYTUDTDBL-LSCVHKIXSA-N 415.492 3.834 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(OC(F)(F)F)cc1 32870460 NHTRWGOJKRINGB-UHFFFAOYSA-N 423.435 3.763 10 40 HHCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccccc3NS(C)(=O)=O)cc2)C1 260455467 UOYHPQFKRNPNQR-IRXDYDNUSA-N 415.559 3.785 10 40 HHCB COc1ccc(-c2nc(-c3cccc(O)c3O)[nH]c2-c2oc(C)cc(=O)c2O)cc1 1547205762 DSXDOXYODXCCMT-UHFFFAOYSA-N 406.394 3.798 10 40 HHCB biogenic CCOC(=O)c1ccc(NC(=O)C[C@H]2SC(=O)N(c3ccccc3C)C2=O)cc1 12136906 QSLCESWGUYSWIO-QGZVFWFLSA-N 412.467 3.769 10 40 HHCB O=C1N=C(O)/C(=C/NCc2ccc3c(c2)OCO3)C(=O)N1c1cccc2ccccc12 103114410 DAXYWNLPFOMPRH-ATVHPVEESA-N 415.405 3.665 10 40 HHCB C[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 218402370 DIMZHHPMQDTQSQ-SJORKVTESA-N 415.559 3.785 10 40 HHCB COc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC1=S 409359452 OJTUSKKGIYIXDM-APSNUPSMSA-N 416.436 3.738 10 40 HHCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NC(C)(C)C)c4ccccc34)[C@H]21 1565524940 YPIQGZFGQBFHRE-QHCPKHFHSA-N 416.525 3.703 10 40 HHCB O=C1NC(=O)C(=CC2=C(c3ccccc3)Oc3ccccc3[C@@H]2c2ccccc2)C(=O)N1 3195795 IUUQTHQFRZERRH-QFIPXVFZSA-N 422.440 3.915 10 40 HHCB CCOc1ccc(N/C=C2/C(=O)NC(=S)N(c3cccc4ccccc34)C2=O)cc1 5924698 QRZATWCUDFXIDI-RGEXLXHISA-N 417.490 3.982 10 40 HHCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)N2CCCC2)cc1 6517567 FJKKGIYVDZUNMO-CAOCKLPOSA-N 413.606 3.823 10 40 HHCB biogenic COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)c(C)c1 33654932 HAZPKYWJKCFSIG-UYRXBGFRSA-N 402.406 3.503 10 40 HHCB COc1ccc(OC)c(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)c1 138792431 JDJCURYJPGLDIU-UHFFFAOYSA-N 408.454 3.907 10 40 HHCB CN1CCN(c2ccc(CNC(=S)Nc3ccc(C(F)(F)F)cc3)cc2)CC1 225776605 SQTPHVKGPVJUEL-UHFFFAOYSA-N 408.493 3.944 10 40 HHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OC(C)C 408777194 WPOADUSCHQVUBY-WOJGMQOQSA-N 408.454 3.766 10 40 HHCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 408803838 AYBGIAUDVWSXLW-KGENOOAVSA-N 414.417 3.638 10 40 HHCB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 11615686 RFBILAHQZXHMCZ-UHFFFAOYSA-N 403.485 3.578 10 40 HHCB Cc1nc([C@H]2CCCN(Cc3ccc(N4CCCC4)cc3)C2)nc2c1CCC(=O)N2C 19741291 HZIJKGMYMRMACR-FQEVSTJZSA-N 419.573 3.674 10 40 HHCB COc1ccc(-c2coc3c(CN4CCC[C@@H](C(=O)O)C4)c(O)cc(C)c3c2=O)cc1 94993354 MSNHTKCSVDVKBB-MRXNPFEDSA-N 423.465 3.779 10 40 HHCB Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1Cl 408916568 FJEOJUQWWSXOQN-NTUHNPAUSA-N 408.310 3.657 10 40 HHCB O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(C(=O)O)cc1 1839020 YDHHUSLIYMMEAV-PTNGSMBKSA-N 416.480 3.598 10 40 HHCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cc(Cl)ccc1O 1840419 RZGWUZISXDSIEP-QPEQYQDCSA-N 410.929 3.947 10 40 HHCB CCN1C(=O)/C(=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)SC1=S 2962445 STOFOHUWXGQTRD-ATVHPVEESA-N 419.549 3.984 10 40 HHCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1cccc(F)c1 6627948 FAFHSSJTBWUAMV-DEDYPNTBSA-N 418.424 3.875 10 40 HHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC)c(OC)c3)C2=O)cc1 408899955 QRLVNTWJPRNCJC-AQTBWJFISA-N 424.453 3.549 10 40 HHCB CCc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nccs3)C2=O)cc1 1217448 HHZKSFDEOVINOY-SDNWHVSQSA-N 403.554 3.936 10 40 HHCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O 27229624 DMYRIVYLLBJZLW-SWZGKVDCSA-N 416.549 3.728 10 40 HHCB CCCCOc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)OC)C2=O)cc1OC 27563120 RCZKTZCSPUNZGX-COOUDCDJSA-N 409.529 3.637 10 40 HHCB Cc1ccc(N2C(=O)/C(=C\c3c(C)n(C)c4ccccc34)C(=O)NC2=S)c(C)c1 4649285 VRABVERXOLTNLH-PDGQHHTCSA-N 403.507 3.935 10 40 HHCB O=Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1 5552985 FOGQBQJCNIJURG-NVNXTCNLSA-N 402.884 3.699 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(CN2CCCCC2)cc1 10907734 NPKZXYARWKNNEQ-UHFFFAOYSA-N 407.558 3.781 10 40 HHCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)cc1 59435798 WOPHUVIHTFFHAQ-QNGOZBTKSA-N 407.466 3.619 10 40 HHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(C)C)cc3)C2=O)cc1 408739433 BXKCDDSZUDTSOR-DEDYPNTBSA-N 408.454 3.787 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC 408803334 NRNNTDJCQQBXJT-OQLLNIDSSA-N 414.845 3.722 10 40 HHCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 409021699 UENVHDSFCRILQG-LDADJPATSA-N 407.813 3.503 10 40 HHCB COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(OC)c1OC 409196682 XXAYDZXOTVGNJH-MHWRWJLKSA-N 404.513 3.668 10 40 HHCB O=C(NN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S)c1ccc(Cl)cc1 8821706 MFHVAYWRXLLTNE-NTEUORMPSA-N 414.899 3.763 10 40 HHCB COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3cc(C)ccc3O)C[C@H]21 10214508 FEPDENJGSZGYHQ-HXUWFJFHSA-N 421.497 3.591 10 40 HHCB COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Cl 15012525 UAYMNHQVCJXUBB-QPEQYQDCSA-N 405.237 3.977 10 40 HHCB COc1ccc2cc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(=O)[nH]c2c1 54361162 FYBJUXVCAOBWGV-ZDLGFXPLSA-N 408.504 3.938 10 40 HHCB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(N(C)C)cc3)c2)c1 8170910 YYJXXGYEJOSCLQ-UHFFFAOYSA-N 423.538 3.792 10 40 HHCB COc1ccc(Br)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 10906466 NFPIIEGKCRSWPG-UHFFFAOYSA-N 419.319 3.567 10 40 HHCB Cc1cc(C(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)c(C)n1-c1ccccc1 15374395 ZMKFNXDTPGKTPK-UHFFFAOYSA-N 407.495 3.730 10 40 HHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1ccccc1 18042694 VAPXRDXKFUWAHS-CPNJWEJPSA-N 406.467 3.948 10 40 HHCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(F)c3)C(C(=O)OC)=C2C)cc1 408585109 AFDGDXVXLBMUEM-UYRXBGFRSA-N 409.413 3.880 10 40 HHCB CN(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 16753486 SWMGDNOQLVPWDL-UHFFFAOYSA-N 409.442 3.862 10 40 HHCB O=C1C[C@H](c2cccnc2)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96115528 RSRRQFZGHNPIHP-CQSZACIVSA-N 401.374 3.707 10 40 HHCB biogenic COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c(OC)c1 1293709 LMLODGBBOUBHAL-YVLHZVERSA-N 414.508 3.558 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 4156777 BWOAQNUVYKZNFJ-LFIBNONCSA-N 408.797 3.760 10 40 HHCB O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21)N1CCOCC1 4329535 BOXDQYQHYPJUCU-WAOWUJCRSA-N 405.454 3.894 10 40 HHCB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1OCC 4783823 KNGUGYWWGBPZEC-XNTDXEJSSA-N 420.893 3.932 10 40 HHCB COCCN1C(=O)[C@@H](Cc2ccccc2OCc2ccccc2F)SC1=S 8104747 JCCGQNRVXVPJBK-GOSISDBHSA-N 405.516 3.823 10 40 HHCB CN1CCCc2cc([C@H](CNC(=O)c3ccc(Br)cc3)N(C)C)ccc21 13008182 MXXWFVKZUQDXLA-FQEVSTJZSA-N 416.363 3.864 10 40 HHCB CCN(CC)c1ccc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)cc1 13600976 XFYAJGSVARDVMI-PDGQHHTCSA-N 414.303 3.757 10 40 HHCB COc1ccc(NC2=NC(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)S2)cc1 16440217 RTOIZKGHTZSHCX-GZTJUZNOSA-N 400.456 3.803 10 40 HHCB CC(C)n1nc(O)c2c(-c3cnn4cccnc34)c3oc4c(O)c(O)ccc4c3nc21 95477521 FHZGTYSNDMQPIG-UHFFFAOYSA-N 416.397 3.738 10 40 HHCB COc1ccccc1NCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 5353030 KKCHEAOBFOLYBA-RQZCQDPDSA-N 400.481 3.695 10 40 HHCB Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)cc1C 6215588 IFUASAXSTZENKM-UNOMPAQXSA-N 402.406 3.723 10 40 HHCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)cc1 6814253 ZQPSJYBGMNXCNQ-QNGOZBTKSA-N 418.497 3.517 10 40 HHCB CCc1nnc(S/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)O)o1 7365639 WXCGUNBECIGERQ-RVDMUPIBSA-N 404.448 3.748 10 40 HHCB CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC 13914801 KXLDMXGELJCXFF-CPNJWEJPSA-N 408.454 3.833 10 40 HHCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 408584109 LRCRYZMBMSVZRR-UYRXBGFRSA-N 407.426 3.538 10 40 HHCB COc1ccccc1-c1csc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 95350096 NTZQAQUHHXSVTF-UHFFFAOYSA-N 418.496 3.781 10 40 HHCB COC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 408901984 JOCHNYLCXAQWEQ-CXUHLZMHSA-N 414.845 3.707 10 40 HHCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1O 1240660 BWHMWTAVQIWQKN-OQLLNIDSSA-N 420.899 3.600 10 40 HHCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1ccc(Cl)cc1 17090419 WTWMGLIKPXDVMD-MOSHPQCFSA-N 415.852 3.809 10 40 HHCB COC(CN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1)OC 17093140 ZMONNBUVUJRDPN-RGEXLXHISA-N 422.510 3.530 10 40 HHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(C(=O)O)cc1 222742626 UJVADDUXFPNPMR-WOJBJXKFSA-N 406.511 3.790 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)c1OCC(=O)O 409351241 ZWRZSZUOMJWUPN-YBEGLDIGSA-N 415.492 3.873 10 40 HHCB CN(C)c1ccc(/C=C2\N=C(c3ccc(I)cc3)OC2=O)cc1 3024529 JOXYTSIMDVEMLU-WJDWOHSUSA-N 418.234 3.702 10 40 HHCB CN(C)c1ccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1 15015213 DNSMIDIOTOYXID-HKWRFOASSA-N 410.518 3.684 10 40 HHCB COC(=O)c1cc(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(N2CCOCC2)s1 16189929 ZXHVKQNZEKFJCB-ISLYRVAYSA-N 421.391 3.603 10 40 HHCB COc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)SC2=S)c(OC)c1 35040248 ZUPFTIRFEHCOKS-CXUHLZMHSA-N 401.465 3.808 10 40 HHCB Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3F)C(=O)NC2=S)c1C 409129634 VFFWUHRJMSXVKL-LDADJPATSA-N 423.513 3.874 10 40 HHCB COc1cc(C[C@H]2SC(=S)N(CCc3ccccc3)C2=O)cc(OC)c1OC 8110456 KCMGNCZSHRFSFK-GOSISDBHSA-N 417.552 3.727 10 40 HHCB O=C1NC(=S)S/C1=C/c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8456338 GWVNLRQBKQFJBV-VGOFMYFVSA-N 403.397 3.784 10 40 HHCB CCn1c(=O)c(C2=NNC(=O)/C2=C\c2ccc3ccccc3c2)c(O)c2ccccc21 103506863 GFCQIQKSCJFRQM-RGEXLXHISA-N 409.445 3.798 10 40 HHCB COC(=O)c1cccc(Cn2cc(/C=C3/SC(=S)NC3=O)c3ccccc32)c1 107709987 HPOGTCGWWTWLBC-VCHYOVAHSA-N 408.504 3.965 10 40 HHCB COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)cc1 222765554 YBHJBKOZDJMSCJ-SFTDATJTSA-N 420.538 3.878 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1C 409220951 IHIWESCOXUVQDS-OQLLNIDSSA-N 420.412 3.854 10 40 HHCB O=C(NCCO)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 409370349 PHFPULDFDHURHV-FUHIMQAGSA-N 413.315 3.998 10 40 HHCB O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 2449760 VLDAGWDIIVJEHX-MHWRWJLKSA-N 419.846 3.811 10 40 HHCB O[C@@]1(c2ccc(Br)cc2)CN2CCCSC2=[N+]1Cc1ccccc1 4176393 UDEVLSIWPAIGBA-LJQANCHMSA-N 404.353 3.615 10 40 HHCB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cccc(OC)c1OC 59959197 HTNTUCWEGKBFKT-PDGQHHTCSA-N 409.438 3.590 10 40 HHCB CCOC(=O)c1c(NC(=O)[C@@]23CC[C@](C)(C(=O)C2=O)C3(C)C)sc2c1CCCC2 100834687 HBRHOWIYIMLVAF-FGZHOGPDSA-N 417.527 3.707 10 40 HHCB CN1CCN(c2ccc(CNC(=S)Nc3ccc(Br)cc3)cc2)CC1 225775835 SOFGTIYMHYEMTD-UHFFFAOYSA-N 419.392 3.688 10 40 HHCB Cc1c(/C=C2/NC(=O)N(CC(=O)O)C2=O)c2ccccc2n1Cc1ccccc1Cl 408588641 CCDORWWYOKZGTQ-VCHYOVAHSA-N 423.856 3.629 10 40 HHCB O=C(Cn1cc(/C=C2/SC(=S)NC2=O)c2ccccc21)Nc1ccc(F)cc1 409328971 BGOJQRVBESNBDI-RQZCQDPDSA-N 411.483 3.908 10 40 HHCB Oc1cc2c(cc1CN1CCN(Cc3csc(-c4ccccc4)n3)CC1)OCO2 22913222 LOQYTAHBGUNGNO-UHFFFAOYSA-N 409.511 3.562 10 40 HHCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 408893335 MIRYIXCCUJWAHV-PDGQHHTCSA-N 423.465 3.980 10 40 HHCB COc1cccc(CN(C)CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 6882047 VPZPUFFZPJUKLI-UHFFFAOYSA-N 414.461 3.541 10 40 HHCB Cc1cc(NC(=O)CN(C)Cc2c(O)ccc3cc(Br)ccc23)no1 95469822 RUHIZYBWSGCIBK-UHFFFAOYSA-N 404.264 3.675 10 40 HHCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(c4ccccc4)C3=O)c2C)c1 3273981 ORXPSFXDGAHNER-STZFKDTASA-N 415.449 3.978 10 40 HHCB COc1ccc(OC)c(/C=C2/SC(Nc3ccc(OC)cc3OC)=NC2=O)c1 6570859 QKBFERQZBZWIRM-VCHYOVAHSA-N 400.456 3.803 10 40 HHCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc2[nH]c(O)nc2c1 100958937 VAGMUHHTWROBKR-ZROIWOOFSA-N 412.247 3.750 10 40 HHCB COC(=O)c1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1 4425605 UJPLFXGXUVKMGC-QZFKAFNDSA-N 413.476 3.500 10 40 HHCB CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCCC3)c3ccccc23)SC1=S 409126183 OBVQWRVSPKCTNT-PDGQHHTCSA-N 413.568 3.875 10 40 HHCB O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(O)c(Cl)c1 54017794 MRQCVUWDHVCPGI-UHFFFAOYSA-N 414.811 3.831 10 40 HHCB COc1ccc2cc(/C=C3\SC(=S)N(c4ccc(O)cc4)C3=O)c(=O)[nH]c2c1 102735674 BXCOKTVVWWMZFS-MFOYZWKCSA-N 410.476 3.648 10 40 HHCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1ccc(O)cc1 103918600 XNPUYKXHGHTKAF-QNGOZBTKSA-N 408.458 3.909 10 40 HHCB Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)c2C)c1 223575145 SIXNFIHGMGDNIR-VXKWHMMOSA-N 406.555 3.762 10 40 HHCB CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)cc1 2232209 CEKDNPRHKGMOHV-FYJGNVAPSA-N 417.465 3.912 10 40 HHCB CCCCOC(=O)c1ccc(-n2c(C)cc([C@H]3NC[C@H](C(=O)O)S3)c2C)cc1 408978077 KMTWRAGICSCSJW-MOPGFXCFSA-N 402.516 3.839 10 40 HHCB COc1ccc2c(/C=C3/SC(=S)N([C@@H](CCSC)C(=O)O)C3=O)c[nH]c2c1 9531354 QILMKFOZODAQNJ-UUINEXAVSA-N 422.553 3.584 10 40 HHCB O=C1c2ccccc2N[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2O)N1C[C@@H]1CCCO1 12555010 UXVDBZSCNQDGCJ-KPZWWZAWSA-N 403.822 3.699 10 40 HHCB Cc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCCC1 13007807 QLDBZRDPLLKMCB-HSZRJFAPSA-N 407.558 3.710 10 40 HHCB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S 13682171 JVHBCVSYFPWMSA-DAQNXSASSA-N 423.515 3.903 10 40 HHCB O=C1/C(=C\NCC2CCNCC2)C(c2ccccc2)=NN1c1nc2ccccc2s1 13756772 DZVCUEMNAIRPIP-SDXDJHTJSA-N 417.538 3.520 10 40 HHCB COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)Nc1cccc(C)c1 14903974 ADWBIGOXBPUYEA-YVLHZVERSA-N 414.508 3.510 10 40 HHCB COc1cccc([C@H](c2ccc3c(OC)cccc3c2O)N2CCN(C)CC2)c1OC 20648097 QNKYBIGRSDDRSM-QHCPKHFHSA-N 422.525 3.908 10 40 HHCB COc1cc(/C=C2/SC(=S)N([C@@H](CC(=O)O)c3ccccc3)C2=O)ccc1O 35624316 RIRGBKAZVBXSCD-FBJMNJBLSA-N 415.492 3.818 10 40 HHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 408801889 WKRCPKHVBZKLSV-MHWRWJLKSA-N 414.845 3.804 10 40 HHCB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc21 113781558 YWHRKRZQWRJNSU-NSHDSACASA-N 405.951 3.661 10 40 HHCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCCC[C@@H]2CS(C)(=O)=O)c1 1129172445 YGOBIYPOANIDNV-QGZVFWFLSA-N 408.951 3.787 10 40 HHCB CCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2C)c2cc(Br)ccc21 33410573 PKRJZKFRRJSIEW-FOWTUZBSSA-N 424.298 3.993 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2cccc([N+](=O)[O-])c2)c1 33783401 FRBJYPDAMBVWDO-STZFKDTASA-N 415.405 3.635 10 40 HHCB CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1Cl 408865453 CLFPNZQEFBPELV-RAXLEYEMSA-N 402.809 3.934 10 40 HHCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1Cc1ccccc1F 408876613 QLRKHDYTVRMCAX-XSFVSMFZSA-N 416.408 3.789 10 40 HHCB Cc1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1C 6943311 ZYIPPRISBBTTBG-UHFFFAOYSA-N 413.429 3.874 10 40 HHCB COc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)c1O 12633030 DFZNYSZZLIGUHP-JOCHJYFZSA-N 404.422 3.943 10 40 HHCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(\C)Nc1cnc2ccccc2c1 19894240 MOZFLMMJXANZKS-PXLXIMEGSA-N 400.438 3.887 10 40 HHCB CCCCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1OC 26509988 BMMQLOLNUTWHOM-WJDWOHSUSA-N 409.529 3.940 10 40 HHCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccccc3NS(C)(=O)=O)cc2)C1 218396951 UOYHPQFKRNPNQR-IAGOWNOFSA-N 415.559 3.785 10 40 HHCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl 226088000 YXICKZPNQIKFFX-JYRVWZFOSA-N 407.278 3.833 10 40 HHCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccccc3NS(C)(=O)=O)cc2)C1 260455466 UOYHPQFKRNPNQR-DLBZAZTESA-N 415.559 3.785 10 40 HHCB Cc1ccnc(NS(=O)(=O)c2ccc(-n3c(C)cc4c3CC(C)(C)CC4=O)cc2)n1 2561817 GGLUXGJEGBAVLA-UHFFFAOYSA-N 424.526 3.840 10 40 HHCB CCN(CC)c1ccc(N/C=C2/C(=O)N=C(S)N(c3ccc(OC)cc3)C2=O)cc1 102622914 GDOHACBHOQSRMJ-RGEXLXHISA-N 424.526 3.696 10 40 HHCB O=C(NCc1ccc(N2CCSCC2)cc1)c1[nH]nc(C2CC2)c1Br 65522071 DOXLKMVCNIDVDI-UHFFFAOYSA-N 421.364 3.533 10 40 HHCB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 8779760 VREHXKPBVVZDDM-NDENLUEZSA-N 416.462 3.773 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCCCC4)o3)C2=O)cc1C 408855105 BZOHCWCJNJNJOL-XMHGGMMESA-N 407.470 3.943 10 40 HHCB Cc1ccc(C)c(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1 5682039 OMPCMBHIBKZMTM-UHFFFAOYSA-N 413.429 3.874 10 40 HHCB O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc2oc(=O)ccc2c1 33527058 RXTJEZRBUCVXOX-LICLKQGHSA-N 422.487 3.633 10 40 HHCB Cc1c(N2C(=O)/C(=C\c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C 6129921 PPBDQKMBFQMYNJ-GHRIWEEISA-N 407.520 3.890 10 40 HHCB CCCCN1CCc2cc(/C=C3\C(=O)N=C(O)N(c4cccc(OC)c4)C3=O)ccc21 9089964 KJVXQDLNPWIOTB-XSFVSMFZSA-N 419.481 3.729 10 40 HHCB Cc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)cc1 49003896 OEFKJKOGDQARJE-UHFFFAOYSA-N 400.475 3.913 10 40 HHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(C(=O)O)cc1 222742684 UJVADDUXFPNPMR-UXHICEINSA-N 406.511 3.790 10 40 HHCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C 223043280 UTSYFGCVEUADHF-YADHBBJMSA-N 421.570 3.893 10 40 HHCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2sccc2C)C1=O 408992663 AUDNPXVMNKIOJO-XYOKQWHBSA-N 405.273 3.794 10 40 HHCB Cc1cc(O[C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc(C)c1Cl 10113455 IGOTWOKAJFJHLR-QGZVFWFLSA-N 402.922 3.877 10 40 HHCB O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 57434705 JVYFZMMKHBBJPY-OQLLNIDSSA-N 417.443 3.574 10 40 HHCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)N2CCCC2)cc1 4000359 FJKKGIYVDZUNMO-HVCNVCAESA-N 413.606 3.823 10 40 HHCB biogenic CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC 409239721 DLOMAIOUMLJRFW-LFIBNONCSA-N 410.495 3.542 10 40 HHCB CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)OC)C2=O)ccc1O 1768461 JZVRSWDBBVUDLD-FOWTUZBSSA-N 409.529 3.726 10 40 HHCB Cc1csc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3F)SC2=S)n1 4745303 FNTWKUNKYLKPCA-MDWZMJQESA-N 407.517 3.821 10 40 HHCB COc1ccc(-c2cnc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n2C)cc1 7423570 RHGFNMDFBKLHOT-UHFFFAOYSA-N 410.499 3.785 10 40 HHCB COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O 408982613 IJGQIBGSHHEIBY-ZSOIEALJSA-N 405.237 3.977 10 40 HHCB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 6281411 IZVKDAQWLYOPOI-QTEQDKRBSA-N 410.539 3.842 10 40 HHCB Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)NCc1ccc2c(c1)OCO2 7423349 LRMQAGIVTHLDRG-UHFFFAOYSA-N 415.902 3.878 10 40 HHCB COc1cccc(N2CCCN(C3CCN(c4ccc5c(c4)OCO5)CC3)CC2)c1 12144173 ZLSOMZQZXNFHKY-UHFFFAOYSA-N 409.530 3.605 10 40 HHCB O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 13810865 VLDAGWDIIVJEHX-YBEGLDIGSA-N 419.846 3.811 10 40 HHCB Cn1cc(/C=C2/SC(=S)N(NC(=O)Cc3ccccc3)C2=O)c2ccccc21 35040111 NWHHWTPCSVFTRH-LDADJPATSA-N 407.520 3.653 10 40 HHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc(Cl)ccc3Cl)C2=O)cc1 408535878 UIRNSBQTWXOSGW-GXDHUFHOSA-N 420.252 3.971 10 40 HHCB C[C@@H]1CN(C2=NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)C[C@@H](C)O1 4844341 HXJAJCWVRXGKEG-ZDFMGPMUSA-N 413.455 3.934 10 40 HHCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc4ccccn34)c2C)cc1 6154126 QTKBEULJRRIICP-UHFFFAOYSA-N 420.494 3.898 10 40 HHCB CC(C)Cc1nnc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)s1 8820273 DJCGRVYTMUHAFT-FMIVXFBMSA-N 422.557 3.560 10 40 HHCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cncc(Br)c2)cc1 12552403 HLQVXKAKAZYEEG-IBGZPJMESA-N 418.335 3.732 10 40 HHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(OCC)c3)C2=O)cc1 408896033 GKEXBGFUCMLVCJ-AQTBWJFISA-N 424.453 3.549 10 40 HHCB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccccc1[N+](=O)[O-] 4839238 AGRYNFABVLDUTO-FOWTUZBSSA-N 413.480 3.825 10 40 HHCB CCCOc1ccc(/C=C2\C(=O)N(CCCOC)C(C)=C2C(=O)OC)cc1OCC 17167351 YSMTYSIUMBQDBM-JXAWBTAJSA-N 417.502 3.583 10 40 HHCB C[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(F)cc1 40149056 YWLWGHDIODPLTD-KRWDZBQOSA-N 418.534 3.637 10 40 HHCB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2C)C1=O 409210404 JNBYNQBFBFCXDS-QGOAFFKASA-N 402.516 3.975 10 40 HHCB O=C1C(=Cc2ccc(O)c(O)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 3189489 RNQWHUVNOZITQH-UHFFFAOYSA-N 416.458 3.846 10 40 HHCB C[C@@]12CC(=O)N[C@@H]1N(C(=O)c1cccc(C(F)(F)F)c1)[C@H](c1ccccc1O)C2 4108711 DOQSYCNJTJREJJ-CWFSZBLJSA-N 404.388 3.851 10 40 HHCB Cn1c(=O)cc2c3c(c(NS(=O)(=O)c4ccccc4)ccc31)C(=O)c1ccccc1-2 1078130 WJSRFFNGNHNJLM-UHFFFAOYSA-N 416.458 3.551 10 40 HHCB CCc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccccc3)C(=O)NC2=S)cc1 4468379 BSXMPOHGOBOKCK-HKWRFOASSA-N 401.491 3.871 10 40 HHCB CCCN1C(=O)/C(=C\c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)SC1=S 9234120 YDRWJXZQAWPMQX-OQLLNIDSSA-N 417.464 3.954 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(OCC)c1 107741462 XZECNIQDCUGRNC-CPNJWEJPSA-N 424.522 3.878 10 40 HHCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O 409097712 NJDKAPFTZXMPSU-XWAFYUISSA-N 414.483 3.701 10 40 HHCB COc1ccc(CCN2C(=O)/C(=C/c3ccc(O)c(O)c3)SC2=S)cc1OC 5371247 XLYUDMWXVJVGOS-WQRHYEAKSA-N 417.508 3.559 10 40 HHCB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cc(Cl)ccc3O)=NN12 10214110 AZDPAGRZBYYUJK-LJQANCHMSA-N 411.889 3.928 10 40 HHCB Cc1nc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nn1-c1ccc(F)cc1 10963350 ONIIBHZJLJRABM-UHFFFAOYSA-N 407.493 3.977 10 40 HHCB Cc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1C 59139641 XNBSOELKOZCOTF-UHFFFAOYSA-N 401.919 3.655 10 40 HHCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 224075359 FRKQQXMULDHCIY-UHFFFAOYSA-N 423.538 3.826 10 40 HHCB Cc1cccc(N2C(=O)/C(=C\c3c(C)n(C)c4ccccc34)C(=O)NC2=S)c1C 408846755 RSVCNLOZIZJDTO-PDGQHHTCSA-N 403.507 3.935 10 40 HHCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)o1 409206080 HIZXOQNJCIJSJF-BOPFTXTBSA-N 409.398 3.568 10 40 HHCB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCCC2 1180335 QERIVNSKODKBSH-KNPMLCFXSA-N 403.500 3.655 10 40 HHCB CCOc1c(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cccc1OC 1417259 XLNUXGFOFPVEPY-FOWTUZBSSA-N 414.508 3.640 10 40 HHCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 58866212 HZPWRVAXGQYWAZ-UHFFFAOYSA-N 408.406 3.748 10 40 HHCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cn(C)c4ccccc34)SC2=S)cc1 108893248 BFMGZIGAVTUHOJ-WOJGMQOQSA-N 423.519 3.733 10 40 HHCB O=C1/C(=C\c2cccc(O)c2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 110422877 QIKGKCHGNPIKFO-CAOOACKPSA-N 414.552 3.841 10 40 HHCB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 217026102 XCKLOIFNYZGSJG-HXUWFJFHSA-N 401.938 3.566 10 40 HHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(O)c1 4047871 JPRKLYGOAREGQV-XDHOZWIPSA-N 407.470 3.522 10 40 HHCB N=C1/C(=C/c2coc3ccccc3c2=O)C(=O)N=C2SC(c3ccccc3F)=NN12 41108203 UFFCUMVXKAWNGE-GQFJHEMJSA-N 418.409 3.600 10 40 HHCB CCOc1cccc(CN2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)c1O 72394303 HVTWJMRAJMNSJK-AWEZNQCLSA-N 424.950 3.622 10 40 HHCB CSc1ccc(C2=NC3(CCN(C(C)=O)CC3)N[C@H](c3ccccc3O)C2)cc1 80324945 KZCHNGYVDPQVLD-NRFANRHFSA-N 409.555 3.976 10 40 HHCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O 96444330 IEVOVCUIGLZUKK-QJISPJEISA-N 413.499 3.785 10 40 HHCB CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3CC4)c2C(=O)OC)C1 102345079 FPUNATGJXAZBLG-HLNSEHPISA-N 417.527 3.901 10 40 HHCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 408893943 OQTZYWCFOMWXDI-YBEGLDIGSA-N 412.373 3.620 10 40 HHCB COc1cccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c1OC 2261800 QYWQXPOZJRDZBW-XNTDXEJSSA-N 401.465 3.808 10 40 HHCB O=C(O)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)SC1=S 13269130 CEPGWRWTLFJILI-CXUHLZMHSA-N 403.456 3.691 10 40 HHCB CCN(CC)C(=S)SCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 15187565 ICOPMEHPOBATMP-UHFFFAOYSA-N 412.536 3.760 10 40 HHCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 5024988 IMYLVOGPZOVIEX-XMHGGMMESA-N 408.527 3.585 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nccs3)C2=O)c1 8753542 RVWGTAWNHOCXDL-KAMYIIQDSA-N 419.553 3.772 10 40 HHCB Cc1cc(C)c(N2C(=O)N=C(O)/C(=C/c3ccc(OCC(=O)O)cc3)C2=O)c(C)c1 8970987 IHWAINKISWKVAP-YVLHZVERSA-N 408.410 3.582 10 40 HHCB COc1ccc(OC)c(/C=C2\SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)c1 13123396 DPRQAHPQYRUTPT-ZFOVBUMHSA-N 415.492 3.731 10 40 HHCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(O)cc2)C1=O 409230490 YVAUSTPPMSHTCH-SFQUDFHCSA-N 421.840 3.811 10 40 HHCB O=C1N=C(S)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 8837358 KQAPQIJWYLDIHY-ATVHPVEESA-N 418.430 3.887 10 40 HHCB COc1ccc(OC)c([C@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3O)=NN2)c1 12407765 QKIQPMOFPASYSF-MRXNPFEDSA-N 408.454 3.880 10 40 HHCB Cc1ccc(OCCOc2cccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2)cc1 13799420 XSXRGZVWSBGSKK-QJOMJCCJSA-N 414.461 3.914 10 40 HHCB CCOc1cc(/C=C2\C(=O)N(CCc3ccccc3)C(C)=C2C(=O)OC)ccc1O 408981124 ZSBGKMWMPJXAJT-RGEXLXHISA-N 407.466 3.706 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1 409104909 KYRCCXYUQWVHJO-RVDMUPIBSA-N 400.887 3.878 10 40 HHCB COc1cccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1 4811680 FACJYJXFOPFAJF-UHFFFAOYSA-N 402.362 3.631 10 40 HHCB COc1ccc(CCN2C(=O)/C(=C/c3ccccc3O)SC2=S)cc1OC 5371185 JLWLEZVHJSNSLS-PDGQHHTCSA-N 401.509 3.853 10 40 HHCB O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccnc1 13809692 NGKWEFLVNDHHLM-GDNBJRDFSA-N 403.916 3.965 10 40 HHCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCC2)o1 15225501 CAQKGVJDZNEJEX-JLHYYAGUSA-N 420.252 3.853 10 40 HHCB COc1ccc(CCN2C(=O)/C(=C\c3ccccc3O)SC2=S)cc1OC 35038758 JLWLEZVHJSNSLS-LDADJPATSA-N 401.509 3.853 10 40 HHCB CCCCN1C(=O)[C@@H]2ON(c3ccccc3C)[C@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 101997275 UUVFPIFGOGYEQR-YPAWHYETSA-N 407.514 3.708 10 40 HHCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 223622961 MOOYYNJBXNAMGA-FGZHOGPDSA-N 421.570 3.547 10 40 HHCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(Br)ccc1O 408587859 VEYRPDDGKJAZSF-DHDCSXOGSA-N 408.292 3.873 10 40 HHCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)NC1=S 409393091 UYVUOBITEXRJSX-RIYZIHGNSA-N 405.882 3.533 10 40 HHCB CCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)[C@H](C)CC)C2=O)cc1OC 5373721 ONNTXQSECPYIES-FUWNQADWSA-N 409.529 3.794 10 40 HHCB C[C@@]12CC(=O)N[C@H]1N(C(=O)c1cccc(C(F)(F)F)c1)[C@@H](c1ccccc1O)C2 4108706 DOQSYCNJTJREJJ-UIAACRFSSA-N 404.388 3.851 10 40 HHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/Nc2ccc(N(CC)CC)cc2)C1=O 4834450 MYOZOPXTSIPVMP-SDXDJHTJSA-N 422.485 3.510 10 40 HHCB Cc1cc(C(=O)COC(=O)[C@H]2COc3ccccc3O2)c(C)n1-c1ccccc1F 6329895 CIBUCRABBZZLJY-JOCHJYFZSA-N 409.413 3.799 10 40 HHCB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1 11437377 DHJLFNMAUZAGKM-UHFFFAOYSA-N 423.425 3.806 10 40 HHCB O=c1c(-c2ccc(Br)cc2)coc2c(CN3CCOCC3)c(O)ccc12 20394943 UHFGMZQPOFOIKL-UHFFFAOYSA-N 416.271 3.760 10 40 HHCB biogenic CC1CCN(c2ccc([C@H](C)NC(=O)c3cccc(NS(C)(=O)=O)c3)cc2)CC1 218567445 IKNONOCGZVFCAZ-KRWDZBQOSA-N 415.559 3.785 10 40 HHCB O=C(NN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)SC1=S)c1ccccc1 409182627 NQCUHHOJBRJTFR-NBVRZTHBSA-N 409.536 3.833 10 40 HHCB Cc1cc(-c2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)o2)c([N+](=O)[O-])cc1C 409342504 FLKLXOBBPULMSS-VIZOYTHASA-N 418.452 3.757 10 40 HHCB Cc1ccccc1Cn1c(C)c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21 4562017 RZBYAMABKUIMIN-UHFFFAOYSA-N 401.466 3.740 10 40 HHCB NC(=O)NC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1 5982230 YOQHAMHOPZHVKA-UHFFFAOYSA-N 400.891 3.539 10 40 HHCB Cc1cc(C(=O)Cn2cnc3cc(F)ccc3c2=O)c(C)n1-c1ccc2c(c1)OCO2 9411685 MGNKSLOVPSGFSJ-UHFFFAOYSA-N 419.412 3.555 10 40 HHCB CC(=O)Nc1ccc(N2C(=O)/C(=C/c3cccc4nccnc34)SC2=S)cc1 13722632 JPAAVHMPWZMSBD-BOPFTXTBSA-N 406.492 3.994 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\NNc3cccc4ccccc34)C2=O)c(C)c1 16284848 ZQQMGZWZBFAIAC-QGOAFFKASA-N 400.438 3.540 10 40 HHCB COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc(OC)c1OC 33330524 MIDSIKVVOMRONS-XYOKQWHBSA-N 416.430 3.523 10 40 HHCB O=C1N=C(O)/C(=C/c2cccn2CCOc2ccccc2)C(=O)N1Cc1ccco1 2220895 IGDDJXNGLVUJAS-RGEXLXHISA-N 405.410 3.662 10 40 HHCB CCn1c(-c2ccccc2)cnc1SCC(=O)N[C@H](Cc1ccccc1)C(C)=O 6657484 FSJZOCLKKIWVFF-HXUWFJFHSA-N 407.539 3.979 10 40 HHCB Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1 21866244 FICIQCOABYCSFS-NRFANRHFSA-N 409.555 3.959 10 40 HHCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccc2c(c1)OCO2 100422850 KBBUPOWVJAGDRQ-UNOMPAQXSA-N 406.467 3.811 10 40 HHCB CC1(C)OC(=O)C(=Cc2cc([N+](=O)[O-])ccc2N2C[C@@]3(C)C[C@H]2CC3(C)C)C(=O)O1 103763157 AIKMCEIVVIFRLM-IVZQSRNASA-N 414.458 3.829 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4ccc(C)cc4)c3C)C2=O)cc1 408755265 CKKFVWBMXXJNMC-FYJGNVAPSA-N 414.465 3.772 10 40 HHCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 408791787 CLPMPAZBYUFDSB-UYRXBGFRSA-N 408.410 3.871 10 40 HHCB Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)S2)CC1 4863294 FWJUYQKPKHSBKG-XMHGGMMESA-N 408.483 3.696 10 40 HHCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(F)c(N4CCCC4)cc3C)C2=O)cc1 6026824 ACQGZGNNXAVSKL-CPNJWEJPSA-N 421.472 3.963 10 40 HHCB COc1cc(OC)c(OC)cc1C[C@@H]1SC(=S)N(Cc2ccc(C)cc2)C1=O 8372393 DNUGRBOONKXTIB-IBGZPJMESA-N 417.552 3.992 10 40 HHCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 8820305 OOZPPEYNRNCZQI-RVDMUPIBSA-N 417.468 3.808 10 40 HHCB C[C@H]1CN(C2=NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)C[C@H](C)O1 27025322 HXJAJCWVRXGKEG-VDYCAFGDSA-N 413.455 3.934 10 40 HHCB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)s1 1085298 QENSOHXQWLIDOX-MDWZMJQESA-N 405.273 3.794 10 40 HHCB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc2c(c1)OCO2 2285076 STFPOKAPNVHIBJ-DHDCSXOGSA-N 418.521 3.707 10 40 HHCB COc1ccc(-c2c3c(nc4[nH]nc(O)c24)-c2ccccc2C3=O)c(OC)c1OC 18196166 HGVOMDCOCFIXLE-UHFFFAOYSA-N 403.394 3.568 10 40 HHCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3O)C2=O)cc1 83318099 VJBCMJIUEKTCHQ-NTUHNPAUSA-N 401.762 3.769 10 40 HHCB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O 408797862 HDBYLDRBTNTVIC-RIYZIHGNSA-N 405.237 3.977 10 40 HHCB CCOc1cccc(CN2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)c1O 72394304 HVTWJMRAJMNSJK-CQSZACIVSA-N 424.950 3.622 10 40 HHCB Cc1ccccc1/N=N\c1c(O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc12 104366767 ABTIMDCFDYKWSF-HNENSFHCSA-N 422.440 3.763 10 40 HHCB COc1cccc(/C=C2/SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)c1OC 2262859 FWZXAFVNVQVFNB-RBFDBLARSA-N 415.492 3.731 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1ccccc1 19799234 ZREWORXGJRKQHE-ZHZULCJRSA-N 415.405 3.635 10 40 HHCB CN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C(=O)NC1=S 32194130 JBQVZOPJYZMQLH-DEDYPNTBSA-N 402.475 3.675 10 40 HHCB CC(C)(C)c1ccccc1OC(=O)CSc1nc(-c2ccco2)nc2cc(=O)[nH]n12 41078209 GHEUCNAZVZBZRR-UHFFFAOYSA-N 424.482 3.673 10 40 HHCB CCOc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc([N+](=O)[O-])c1O 409201706 PEYSKBTZNDSSQP-DHDCSXOGSA-N 419.484 3.655 10 40 HHCB CNc1ccc(Nc2ccc(C)cc2S(=O)(=O)O)c2c1C(=O)c1ccccc1C2=O 5488283 XPKVNPZDTLYFGX-UHFFFAOYSA-N 422.462 3.802 10 40 HHCB biogenic,in-vitro CCOc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)ccc1O 15013450 RKNAMSLPQDLZES-LCYFTJDESA-N 416.886 3.584 10 40 HHCB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(N3CCCCC3)cc2)c1 20460582 LPPKONMUONOIOU-UHFFFAOYSA-N 421.950 3.632 10 40 HHCB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 39995689 JPNKAQXGVUDZQY-UHFFFAOYSA-N 418.541 3.657 10 40 HHCB O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(I)c1 46769617 NALRMXVDRFUXPD-UHFFFAOYSA-N 406.267 3.821 10 40 HHCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccccc1Cl 408741544 MQPXRHNPIXIGDZ-MDWZMJQESA-N 421.703 3.934 10 40 HHCB CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)c(OC(C)C)c1 13810336 HRSRYYMXJYDIGY-MOSHPQCFSA-N 411.477 3.921 10 40 HHCB CC1=C(C(=O)O[C@@H]2CC[C@H](C)[C@H](C)C2)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 102060519 MHCSVBLIICKDAJ-GOYGXENFSA-N 401.576 3.913 10 40 HHCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 408770622 ZQRCLEJVRPUOKZ-WQRHYEAKSA-N 423.465 3.898 10 40 HHCB CCN(CC)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 4819632 RNLPABKJBBAOIS-SSZFMOIBSA-N 412.877 3.765 10 40 HHCB CCCCNC(=O)CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 5214898 WZRTWDJUWAVIFX-LCYFTJDESA-N 413.362 3.567 10 40 HHCB COc1ccc(N2CCN(C(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)cc1 5392537 UIBJMCKASPRUAJ-UHFFFAOYSA-N 424.501 3.556 10 40 HHCB COc1cccc(-c2csc(NS(=O)(=O)c3cc(OC)ccc3OC)n2)c1 11615558 CSIQZUOCMNQDBD-UHFFFAOYSA-N 406.485 3.637 10 40 HHCB O=C(COC(=O)c1c(F)cccc1F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 12311450 MMAQUPLPKGDYGG-UHFFFAOYSA-N 421.355 3.536 10 40 HHCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1cccc(C(=O)O)c1 16160817 FMZRQJNPWFRMSI-YBEGLDIGSA-N 400.232 3.866 10 40 HHCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cccc(Cl)c1Cl 59139659 FWAKRCXPLDOSPH-UHFFFAOYSA-N 422.337 4.000 10 40 HHCB CSc1ccccc1N/C=C1/C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O 109083033 GSUAEAJBVTVUCJ-LUAWRHEFSA-N 421.906 3.945 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1C 409098844 MIGGLTIGDSNUCT-FMIVXFBMSA-N 405.237 3.977 10 40 HHCB O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 1898414 ZLRIKBKFZDQPKP-GDNBJRDFSA-N 418.452 3.921 10 40 HHCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NCCc1ccccc1 4745582 ADHLAKGUFLWWEU-SAPNQHFASA-N 400.525 3.620 10 40 HHCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)COc2cccc(Cl)c2)cc1 8846133 IQQAXHSLBRTFMN-OAQYLSRUSA-N 402.922 3.993 10 40 HHCB O=C(COc1ccc(/C=C2\SC(=S)NC2=O)cc1)Nc1ccc(Cl)cc1 15055965 ABHYYBZJJKLZTG-DHDCSXOGSA-N 404.900 3.846 10 40 HHCB CCCCC(CCCC)N/C=C1/C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O 19943093 KBWWUQJUSZSZHI-CYVLTUHYSA-N 401.507 3.891 10 40 HHCB COc1ccc(N2CCN(c3ncnc4c3cnn4-c3ccc(C)c(C)c3)CC2)cc1 20662120 OVGANNWDYXQNMQ-UHFFFAOYSA-N 414.513 3.768 10 40 HHCB C[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 219052422 LBXJMOFMGNLUFO-IBGZPJMESA-N 403.526 3.675 10 40 HHCB COc1ccc(N2C(=O)/C(=C/c3cccc(Cl)c3Cl)C(=O)NC2=S)cc1 408986475 CNTFKOKWMSDZBK-UKTHLTGXSA-N 407.278 3.833 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)NC2=S)c(C)c1 409129805 SPZDSBLSBIPSMD-UNKWGXRISA-N 407.451 3.599 10 40 HHCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccn3)c2C)C(=O)NC1=S 409234417 WLYYLQDNIRLVPW-QGOAFFKASA-N 416.506 3.629 10 40 HHCB CC(=O)N1C(=O)/C(=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)c2ccccc21 5552089 NDTVHDMQANPJFX-ZCXUNETKSA-N 408.504 3.973 10 40 HHCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 6348208 KEXCEIFBRIJOPD-DHDCSXOGSA-N 402.790 3.714 10 40 HHCB COc1ccc2ccc(O)c(CN(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)c2c1 12869248 OGYUAOBRJDGKIC-MRXNPFEDSA-N 417.552 3.805 10 40 HHCB O=C1N=C(O)N(c2cccc(Cl)c2)C(=O)/C1=C\NNc1cccc2ccccc12 16545038 AFNJHKRAAJFNTQ-ATVHPVEESA-N 406.829 3.781 10 40 HHCB CN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S 36617176 AEQFBVMRTQJUPN-BAQGIRSFSA-N 409.124 3.748 10 40 HHCB O=C(Nc1cccc(N2CCOC2=O)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 58162033 KLXXOHSLZMGEQW-LJQANCHMSA-N 411.458 3.562 10 40 HHCB Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1C 223574964 WUTXKJWUQYLOIY-VXKWHMMOSA-N 406.555 3.762 10 40 HHCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O 409097709 NJDKAPFTZXMPSU-BGARDKSCSA-N 414.483 3.701 10 40 HHCB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccc(C(=O)O)cc1 2483403 ZZMFMERKQVVWCN-UHFFFAOYSA-N 422.422 3.821 10 40 HHCB Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4cccc([N+](=O)[O-])c4)S3)CC2)cc1 5851641 HLTCCGGVOZWZQQ-XMHGGMMESA-N 408.483 3.696 10 40 HHCB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 16927538 JVHBCVSYFPWMSA-LSPINASFSA-N 423.515 3.903 10 40 HHCB CC1=CC2=NC(=O)/C(=C/c3cccn3CCOc3ccc(Cl)c(C)c3)C(=N)N2O1 41078251 FELNZSDELLPWPV-MJEQIIAOSA-N 410.861 3.979 10 40 HHCB COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3cccc(OC)c3)c2C)C1=O 409102429 ZOWOXUJSSLTSDC-KPYNCUPYSA-N 414.483 3.701 10 40 HHCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)NC1=S 409008238 WYRFZMNMDQNTPT-YBEGLDIGSA-N 404.333 3.934 10 40 HHCB COc1cc(/C=C2/SC(=S)N(CNc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 3843277 TVXYHMVWYVHVKI-CXUHLZMHSA-N 417.468 3.580 10 40 HHCB Cc1ccc2c(ccc(/C=C/c3ccc(N(C)C)cc3)[n+]2CCCS(=O)(=O)O)c1 5027449 IAJLWSYYUSZRLO-UHFFFAOYSA-O 411.547 3.950 10 40 HHCB COc1ccc(N2C(=O)c3ccccc3N(C)[C@@H]2c2cc(O)c(O)c(OC)c2)cc1 12545545 QPZQKOMZHNTXPZ-QFIPXVFZSA-N 406.438 3.910 10 40 HHCB CCOc1cc(/C=C2/C(=O)N(c3cccc(C)c3)C(=O)N=C2O)cc([N+](=O)[O-])c1O 38187924 LYTOMTSCDNDJLF-RIYZIHGNSA-N 411.370 3.514 10 40 HHCB CN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N(c2ccccc2)C1=O 59138891 QTLGCWYBNJBLJX-QGOAFFKASA-N 417.377 3.863 10 40 HHCB CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=NC3(CCN(C(C)=O)CC3)N2)c1O 65298332 KVDNIBIDJAPOAN-JOCHJYFZSA-N 421.541 3.962 10 40 HHCB biogenic CCOc1ccc(/N=N\[C@@H]2C(=O)N(C(=O)CC(=O)Nc3ccc(C)cc3)N=C2C)cc1 104314534 SPNIVWLVNYTIJT-VHAJSEAWSA-N 421.457 3.620 10 40 HHCB CCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 408530539 JQRIRXWNMVDUTC-ATVHPVEESA-N 414.845 3.891 10 40 HHCB COc1cc(NC(=O)C2(c3ccccc3)CCCC2)c(N2CCOCC2)cc1OC 12325179 VKNZOLQMMRIKIR-UHFFFAOYSA-N 410.514 3.991 10 40 HHCB O=C(Nc1cccc(N2CCOC2=O)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 58162032 KLXXOHSLZMGEQW-IBGZPJMESA-N 411.458 3.562 10 40 HHCB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 408977336 IIEHFXCCNWFSKJ-RGEXLXHISA-N 407.466 3.619 10 40 HHCB COCCCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)C(C(=O)OC)=C1C 409018941 XLCJQXNYQXAHRF-JWGURIENSA-N 421.493 3.975 10 40 HHCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)cc1 223635771 RZLJYLVAZVRDDZ-FCHUYYIVSA-N 422.554 3.544 10 40 HHCB CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc1 13477228 QSWTXTKXZXIVEJ-AQTBWJFISA-N 414.303 3.757 10 40 HHCB COCCOC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@H]1c1ccc(N(C)C)cc1 8744478 OYJCVTKGUZCXEA-NRFANRHFSA-N 406.486 3.559 10 40 HHCB COc1ccc(N2CCN(C(=O)CCc3ncc(-c4cccc(OC)c4)o3)CC2)cc1 224849382 AFLSHIUCCUYJKI-UHFFFAOYSA-N 421.497 3.640 10 40 HHCB COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(C)C)cc1 867168 NIWOUELIZCNMFU-LJQANCHMSA-N 414.893 3.681 10 40 HHCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1c[nH]nc1-c1ccccc1 1863929 KDJWRYWTGWAZPJ-HKWRFOASSA-N 415.522 3.869 10 40 HHCB CCOc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1O 13689196 WEOWSWSJFZXHHT-IUXPMGMMSA-N 401.465 3.925 10 40 HHCB CCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC(C)C)C2=O)cc1OC 27563076 DBPWEVIRVQGFPW-YBEGLDIGSA-N 409.529 3.637 10 40 HHCB Cc1cc(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)c(C)n1-c1ccccc1F 25670762 WUFLOBICXHIETC-UHFFFAOYSA-N 419.453 3.996 10 40 HHCB C[C@H]1CN(C2=NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)C[C@@H](C)O1 27025317 HXJAJCWVRXGKEG-RZJAJNODSA-N 413.455 3.934 10 40 HHCB CC1CCN(c2ccc([C@@H](C)NC(=O)Cn3ncc4ccccc4c3=O)cc2)CC1 36752296 IXFBNKSQRPIJAS-GOSISDBHSA-N 404.514 3.510 10 40 HHCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 78800524 ABJZQDDZSBJFPY-UNMCSNQZSA-N 414.933 3.917 10 40 HHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C 223017101 RGVLXJWGORLHGT-FCHUYYIVSA-N 421.570 3.811 10 40 HHCB CCCC(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1 23181518 WPYMFTFXUDYVDQ-VGOFRKELSA-N 401.576 3.925 10 40 HHCB COc1ccc(N2CCN(C[C@@H](O)CCO[C@@H]3C[C@@H]4CC[C@]3(C)C4(C)C)CC2)cc1 104489341 AJDHPXQJIJMMJH-VRVWEWRLSA-N 416.606 3.800 10 40 HHCB Cc1cc(-c2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)o2)cc([N+](=O)[O-])c1C 9310577 CIOZPMGWKMCMSE-VIZOYTHASA-N 418.452 3.757 10 40 HHCB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1OC 33698998 DXYYQAJAUHWQKV-MRACZJACSA-N 415.920 3.812 10 40 HHCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1ccc(Cl)cc1 408553076 WXBVWOWIFILJJH-WQLSENKSSA-N 410.257 3.876 10 40 HHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(Cl)c3)C2=O)cc1 408898745 MKSRYNCVSNTZBT-WJDWOHSUSA-N 414.845 3.804 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)C(=O)NC2=S)c(C)c1 408960030 IEIGGVQSHMFXAA-XMHGGMMESA-N 405.523 3.735 10 40 HHCB COc1ccc(-c2nc(-c3ccc(O)c(O)c3)[nH]c2-c2oc(C)cc(=O)c2O)cc1 1547211190 XBLMHTRMKBINLP-UHFFFAOYSA-N 406.394 3.798 10 40 HHCB biogenic O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 102226886 SVDOVKLHPMAMBM-JYJNAYRXSA-N 417.461 3.770 10 40 HHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(C(=O)O)c1 222742474 CZLYUQVQOBKOEY-VQTJNVASSA-N 406.511 3.790 10 40 HHCB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2F)C1=O 409094759 FWGKIVVLTFFLOI-LICLKQGHSA-N 406.479 3.804 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(OCC)c1 409123850 FCNONOGERXFMPM-LDADJPATSA-N 424.522 3.932 10 40 HHCB Cc1cccc(N2C(=O)/C(=C/c3cc(Br)cs3)C(=O)NC2=S)c1C 409127952 RCUWNEXBTMGIPU-NTUHNPAUSA-N 421.341 3.959 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)c(C(=O)O)c1OC 1908022 SPJOZINHNGFINC-ZROIWOOFSA-N 417.464 3.513 10 40 HHCB O=C(NN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S)c1ccccc1 9187030 JFSKOOGRGYNCOA-NTEUORMPSA-N 419.871 3.794 10 40 HHCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C 14010557 IAAFZCIIMLNELA-QNGOZBTKSA-N 408.498 3.803 10 40 HHCB CCOc1cc(/C=C2/C(=O)NC(=O)N=C2O)cc(Cl)c1OCc1ccccc1 58823137 XTJPXJSZOHGZTQ-UHFFFAOYSA-N 400.818 3.907 10 40 HHCB Cc1cccc(-n2c(C)cc(C(=O)N3CCOC[C@@H]3C[C@@H](O)c3ccco3)c2C)c1 84213255 RIANNMQXOOMHFC-RBBKRZOGSA-N 408.498 3.960 10 40 HHCB COC(=O)Cc1c(C)c2ccc(O)c(CN3CC[C@H](c4ccccc4)C3)c2oc1=O 85875419 IUHARTVWJBCXCE-KRWDZBQOSA-N 407.466 3.512 10 40 HHCB biogenic O=C(NN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)c1cccc([N+](=O)[O-])c1 3018347 LFACTGPSVPMQGQ-ZSOIEALJSA-N 419.871 3.794 10 40 HHCB COc1ccc(C)cc1NS(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O 4660898 LVKCKEVJQWQYRD-UHFFFAOYSA-N 407.447 3.580 10 40 HHCB O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@H]1c1cccc(Cl)c1 72277266 FUDMLYYDMIVLMI-RBUKOAKNSA-N 402.897 3.860 10 40 HHCB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OC)cc1OC 59435680 NKQOWQYRTAODNN-ZHZULCJRSA-N 407.466 3.619 10 40 HHCB O=C1S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1 408902444 NTNCEEDRABNSHN-QGOAFFKASA-N 411.439 3.672 10 40 HHCB COc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(OC)c1 1241697 NBAJQCJAQPLADZ-REZTVBANSA-N 401.465 3.838 10 40 HHCB CCN1C(=O)/C(=C2/C(=O)N3c4c2cc(OC)cc4[C@@H](C)CC3(C)C)SC1=S 2431425 GEINNPXSBXXBAF-MKPGZACHSA-N 402.541 3.919 10 40 HHCB CC1(C)OC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)O1 16605343 PSCDVVUUBSVKPW-UHFFFAOYSA-N 422.187 3.837 10 40 HHCB Oc1ccc2c(Cc3ccccc3)noc2c1CN1CCN(c2ccccn2)CC1 41585931 ZSWMUVCOVYQJEI-UHFFFAOYSA-N 400.482 3.841 10 40 HHCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OC 408869949 RHZSOSDTYNNGRP-ZROIWOOFSA-N 416.886 3.579 10 40 HHCB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OC)cc1 409058583 SVLCRDDBYUSOGE-PDGQHHTCSA-N 409.438 3.590 10 40 HHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)o1 409096216 JTHQQQXTUOBTAI-SDNWHVSQSA-N 417.918 3.919 10 40 HHCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCCC[C@H]2CS(C)(=O)=O)c1 1129172444 YGOBIYPOANIDNV-KRWDZBQOSA-N 408.951 3.787 10 40 HHCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc2c(c1)OCO2 8820368 GAAWZCOIMLBSKA-DFBITEFZSA-N 424.503 3.811 10 40 HHCB Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(O)cc3)C(=O)NC2=S)c(C)c1 9263194 RJHANYYDWUIERL-UYRXBGFRSA-N 417.490 3.631 10 40 HHCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 59435799 MYWHVPLPBZILKL-RGEXLXHISA-N 422.437 3.519 10 40 HHCB CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(Cl)c1 20453601 AXCRESJRZZJTDR-UHFFFAOYSA-N 421.950 3.632 10 40 HHCB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)[C@@H]1C 6522971 AVGZDESZBKNBEP-STXHMFSFSA-N 419.477 3.560 10 40 HHCB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 224213960 JFDPEWLSWIMASQ-VWLOTQADSA-N 421.585 3.791 10 40 HHCB O=C(NN1C(=O)/C(=C/c2ccccc2Br)SC1=S)c1ccccc1 9188729 JCNMTSMQURRIMD-UVTDQMKNSA-N 419.325 3.995 10 40 HHCB CC(C)Cc1nnc(NC(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)s1 12273957 WUZKQZVTSQBTJZ-UKTHLTGXSA-N 418.569 3.820 10 40 HHCB COc1ccc(N2CCN(C(=O)CCN(C)Cc3c(F)cccc3Cl)CC2)cc1 32776721 PNYGFMXRUWGIKQ-UHFFFAOYSA-N 419.928 3.658 10 40 HHCB O=C(c1cscn1)N(Cc1ccco1)C1CCN(c2ccc3c(c2)OCO3)CC1 72342410 FKTJXCXNMNBGMB-UHFFFAOYSA-N 411.483 3.776 10 40 HHCB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OCC)cc2O)N3)C1 5980299 TWZHWASUASTZQI-QGZVFWFLSA-N 417.487 3.796 10 40 HHCB CCOc1cc(/C=C2/SC(Nc3ccc(F)cc3)=NC2=O)ccc1OCC(=O)O 16916242 LDYHVWQIGCBOJU-LICLKQGHSA-N 416.430 3.770 10 40 HHCB COC(=O)c1ccc(/C=C2/SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)cc1 35040295 KNKNNWFMVYJCBC-CXUHLZMHSA-N 413.476 3.886 10 40 HHCB Cc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2)C1=O 409064112 BRQUHLRZWQQVRV-MOSHPQCFSA-N 411.889 3.578 10 40 HHCB Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccccc2F)C(=O)NC1=S 409234393 WHXRDVANZDYPSI-DTQAZKPQSA-N 405.454 3.756 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 409238519 KVCFJNFCEFSCIF-OQLLNIDSSA-N 406.385 3.545 10 40 HHCB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)cc1 409346750 OFTTZGKNLYXEPB-VCHYOVAHSA-N 412.467 3.896 10 40 HHCB Cc1cc(C(=O)COC(=O)c2n[nH]c3ccccc23)c(C)n1-c1ccc2c(c1)OCO2 4824210 YHDPYTUKLZFKKJ-UHFFFAOYSA-N 417.421 3.739 10 40 HHCB CN(C)c1ccc(CNC(=O)CN2CCC(c3nc4ccccc4s3)CC2)cc1 6978771 NAZNYJOURFWZSC-UHFFFAOYSA-N 408.571 3.858 10 40 HHCB COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260762368 IFOLJGHJHZULEG-DLBZAZTESA-N 416.543 3.749 10 40 HHCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 5371595 XEDUOGULQAGPBE-HZAKCSEPSA-N 404.307 3.887 10 40 HHCB COc1cc([C@@H](Nc2ccccn2)c2cc3c(cc2O)OCO3)cc(OC)c1OC 1586967 LAMGRAMZRMRRMH-OAQYLSRUSA-N 410.426 3.743 10 40 HHCB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc1 408955692 YOFUCYHOMJDCMH-XSFVSMFZSA-N 417.490 3.626 10 40 HHCB CC(C)(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2F)C1=O 4933348 CTEGPXGUHLNCKF-MHWRWJLKSA-N 406.479 3.804 10 40 HHCB Cc1cc(/C=C2\C(=N)N3N=C(C4CC4)SC3=NC2=O)c(C)n1-c1ccc(O)cc1 5377065 MHMUJLBMPMDRBZ-QLAZQOFOSA-N 405.483 3.829 10 40 HHCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCOc1ccccc1 6178516 HWIZBIMTKHBKFS-QGOAFFKASA-N 401.509 3.984 10 40 HHCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C2/C(=O)Nc3ccc(F)cc32)SC1=S 8821654 UAZXQUPBXMWRBR-PFONDFGASA-N 414.439 3.560 10 40 HHCB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cc(Cl)ccc3O)=NN12 10214107 AZDPAGRZBYYUJK-IBGZPJMESA-N 411.889 3.928 10 40 HHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1Cl 59426689 BVGAWBLFGOEQAU-MDWZMJQESA-N 406.181 3.568 10 40 HHCB O=C(C[C@H]1CCS(=O)(=O)C1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 71824362 JVGCIUUGPIEYQX-WAIKUNEKSA-N 409.507 3.576 10 40 HHCB COC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21 409138213 YWNMFUNBXOCTLA-NVMNQCDNSA-N 423.519 3.611 10 40 HHCB O=C(NN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)c1ccc(Cl)cc1 409350535 YILQFIRSJQMENP-OVCLIPMQSA-N 418.883 3.615 10 40 HHCB CC1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4cccc(C)c4)cc3)C(=O)N=C2S1 4691314 PFNMRNJQMICIHY-JMCWYTMQSA-N 404.451 3.853 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Cl 408781984 UYCOJVZKAXKTBC-FMIVXFBMSA-N 404.850 3.709 10 40 HHCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(=O)NC2=S)c1 409240154 OTTSMBCUOKOEPN-GHRIWEEISA-N 409.511 3.718 10 40 HHCB CCc1ccccc1N1C(=O)/C(=C2/C(=O)N(C(C)=O)c3ccccc32)SC1=S 5552084 QCFWBQRHAOZHTL-ZCXUNETKSA-N 408.504 3.918 10 40 HHCB COc1cc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)cc(OC)c1O 9188781 QZXSUWUTXLOZFV-ATVHPVEESA-N 417.508 3.690 10 40 HHCB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 408950487 FMYPXGNCZSYFGZ-XSFVSMFZSA-N 417.490 3.626 10 40 HHCB COc1ccc(Br)cc1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 409077901 BCSPGEUXOJPPED-UGMNDJHYSA-N 414.346 3.838 10 40 HHCB CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)ccc3OC)C(=O)NC2=S)cc1 409375426 KNZSAEJWZYTJKW-LFIBNONCSA-N 400.887 3.742 10 40 HHCB Cc1c(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc2n1C 4711333 APDQPQODWOJTSG-BOPFTXTBSA-N 409.898 3.971 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl 12556463 BFGYUPMDFKFVRT-UHFFFAOYSA-N 415.342 3.651 10 40 HHCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 16160714 HAFNQMAKUFCAFX-JYRVWZFOSA-N 417.765 3.581 10 40 HHCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(O[C@@H](C)C(=O)O)cc2)C(O)=NC1=S 16362874 FRQCAOQWRLVDTN-RERGGYADSA-N 410.451 3.519 10 40 HHCB CCCCCOc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)cc1OC 27103788 JUTKGCDFJHMFPO-COOUDCDJSA-N 409.529 3.939 10 40 HHCB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 33246820 SURLTOIYFVTEOB-XNTDXEJSSA-N 404.900 3.895 10 40 HHCB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)cc2)SC1=S 409200399 INYUEWYIHIGWNH-WQRHYEAKSA-N 413.520 3.948 10 40 HHCB COC(=O)c1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 35040289 BHPUTRXXKDUTBU-LICLKQGHSA-N 415.492 3.896 10 40 HHCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 41078424 HPMOOCPPNLNGLY-HCNNPVLLSA-N 421.384 3.504 10 40 HHCB COc1ccc(N2CCN(Cn3nc4sc5ccccc5n4c3=S)CC2)cc1 56552758 UKDQJLCEAQFKFP-UHFFFAOYSA-N 411.556 3.868 10 40 HHCB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O 664808 AQRKYPPGOMXWDX-XNTDXEJSSA-N 400.887 3.797 10 40 HHCB COCCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 4736933 XYYHYIGKVNUSTN-CYVLTUHYSA-N 406.511 3.947 10 40 HHCB CN(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S 4745607 WDILTTCCJDLMDY-GHRIWEEISA-N 400.525 3.920 10 40 HHCB COc1ccc(N2CCN(C(=O)C3CCN(Cc4ccc(C)cc4)CC3)CC2)cc1 9063994 HUZCMFCYFBHLDW-UHFFFAOYSA-N 407.558 3.564 10 40 HHCB COc1ccc(N2CCN(c3nc(C)c(Cc4cccc(Cl)c4)c(=O)[nH]3)CC2)cc1 9625942 YKIRXMSDKWHLSZ-UHFFFAOYSA-N 424.932 3.658 10 40 HHCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccc(Cl)cc1 12563362 GXSYQUURULRCQE-UHFFFAOYSA-N 419.820 3.911 10 40 HHCB CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CCN(Cc2ccc(N3CCCC3)cc2)C1 19739102 MXUPMDHGKVDKJJ-XMMPIXPASA-N 410.562 3.579 10 40 HHCB COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(C)cc4)co3)CC2)cc1 56949881 SOQYRHVWKBRYPP-UHFFFAOYSA-N 420.509 3.858 10 40 HHCB Cc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c1C 2221245 TXYAVTAGJAIFOI-XDHOZWIPSA-N 403.438 3.658 10 40 HHCB COc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)ccc1O 24494709 KZSKQSJPPNNLDB-NTUHNPAUSA-N 417.215 3.670 10 40 HHCB Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(O)cc1 59138807 MLAAVIOTUDTUDZ-KGENOOAVSA-N 415.449 3.808 10 40 HHCB CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H](CNC(=O)[C@@H]4CC=CCC4)CC3)ccc21 257327580 XBXSSPHVCSRPPZ-CEMLEFRQSA-N 423.601 3.964 10 40 HHCB COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1N1CCOCC1 260753091 BIESKFCOZOJWPW-GQWLDOHISA-N 410.543 3.516 10 40 HHCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1cccc(Cl)c1 9096878 JCJHMQIGLRELIY-UHFFFAOYSA-N 419.820 3.911 10 40 HHCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\C2=Cc3ccccc3O[C@H]2C)SC1=S 13730148 YZESAYPDGUCDEM-GYDYDZNFSA-N 421.565 3.801 10 40 HHCB Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2cccc(Br)c2)C1=O 408995577 KBSZWTYUPCWUMR-XYOKQWHBSA-N 407.314 3.650 10 40 HHCB Cn1c(=O)n(C)c2cc(/C=C3/SC(=S)N(c4ccc(Cl)cc4)C3=O)ccc21 15012154 ABWSZBGDQVVXIA-MHWRWJLKSA-N 415.927 3.936 10 40 HHCB Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(C)cc(C(C)(C)C)c3O)CC2)cc1 19313334 QNFCBZQQMDYINO-UHFFFAOYSA-N 416.587 3.813 10 40 HHCB COc1cc(/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)ccc1O 2415199 RIIJILFPHBZRSL-PBGDOYKQSA-N 424.507 3.911 10 40 HHCB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(N(C)C)cc3)c2)cc1 8170864 KDNCHZRDTKRAHX-UHFFFAOYSA-N 423.538 3.792 10 40 HHCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Cl)c(O)c(Cl)c1 13894565 QVRJNVCMDPWLRR-WZUFQYTHSA-N 411.241 3.669 10 40 HHCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\C(=O)N(c2ccc(C)cc2)C(=S)N=C1O 19997361 WAVCZCZIHBICOQ-ZCWPUFOUSA-N 418.478 3.548 10 40 HHCB C[C@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(N2CCOCC2)cc1 225839589 ZADRMIYCDRDEMB-KRWDZBQOSA-N 424.570 3.698 10 40 HHCB O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)Nc1nccs1 924824 HEVWJOHPTZRSFI-OAHLLOKOSA-N 400.529 3.916 10 40 HHCB O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21)N1CCOCC1 13801621 BOXDQYQHYPJUCU-LVCYWYKZSA-N 405.454 3.894 10 40 HHCB COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)[C@@H]1CCCO1 36359724 LEIZQPIZWYBTSU-NRFANRHFSA-N 406.486 3.573 10 40 HHCB CCOc1cc(/C=C2\C(=O)N(c3cccc(OC)c3)C(C)=C2C(=O)OC)ccc1O 59959205 VJMORAMCHBVPFJ-WQRHYEAKSA-N 409.438 3.677 10 40 HHCB COC(=O)Cc1c(C)c2ccc(O)c(CN3CC[C@@H](c4ccccc4)C3)c2oc1=O 85875423 IUHARTVWJBCXCE-QGZVFWFLSA-N 407.466 3.512 10 40 HHCB biogenic COc1cc(C(F)(F)F)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225956334 MVHBHNKCUWMABV-UHFFFAOYSA-N 411.453 3.591 10 40 HHCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OC 408981825 CTYWQCAIZCVCPP-DHDCSXOGSA-N 414.845 3.722 10 40 HHCB CCOC(=O)CNc1nc(N(C)C)nc(N(C)C)c1/N=N/c1ccc(Cl)cc1 4114220 CEUFNRJMVSSSCB-WCWDXBQESA-N 405.890 3.652 10 40 HHCB O=C(C1=CN(c2ccc(F)c(Cl)c2)c2ccccc2S1(=O)=O)N1CCCC1 49003787 XHPKTMKQFAQPOD-UHFFFAOYSA-N 406.866 3.868 10 40 HHCB Nc1nonc1/N=N/N(c1nonc1N)[C@@H](c1ccccc1)c1ccc(Cl)cc1 59520324 GOXGRYUVTNCQNX-ZVYLFIKMSA-N 411.813 3.565 10 40 HHCB COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 225104998 IFOLJGHJHZULEG-SJORKVTESA-N 416.543 3.749 10 40 HHCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)NC1=S 408961050 QKRZDQISNVPFAA-XDJHFCHBSA-N 405.523 3.817 10 40 HHCB C[n+]1c(/C=C2/Sc3ccccc3N2CCCS(=O)(=O)O)sc2ccccc21 6177545 WPQLRQZQPKHPDT-UHFFFAOYSA-O 419.573 3.914 10 40 HHCB CNS(=O)(=O)c1cc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1C 8231111 DBUVAVJBPVUUHT-UHFFFAOYSA-N 415.490 3.702 10 40 HHCB Cc1cc(NC(=O)CN2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)no1 16661504 RQCLQJOPOJWPGJ-OQLLNIDSSA-N 401.513 3.946 10 40 HHCB COc1ccc2ccc(O)c(CN3CCN(CC(=O)Nc4ccc(C)cc4)CC3)c2c1 22794531 XJPIULJIHGZPAP-UHFFFAOYSA-N 419.525 3.619 10 40 HHCB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S 54361134 MSWWHXLVKDCHBE-KMTKGMGQSA-N 421.503 3.527 10 40 HHCB CCCC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 57670684 BYXPSODUIRDAKQ-QHCPKHFHSA-N 420.561 3.784 10 40 HHCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)cc1 409096629 KNQVOWJALNIWPG-QGOAFFKASA-N 407.445 3.655 10 40 HHCB O=C(O)c1cc(C(=O)O)cc(-n2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)c1 604404148 KEGPKAHJDLOHPV-UHFFFAOYSA-N 411.369 3.599 10 40 HHCB biogenic CN1CCCc2cc([C@H](CNS(=O)(=O)c3ccc4ccccc4c3)N(C)C)ccc21 8798820 QREBSSMBZCFVPL-DEOSSOPVSA-N 423.582 3.803 10 40 HHCB CC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccccc3O)=NN12 10213961 ZPRPAUOHKIPZGU-IBGZPJMESA-N 411.889 3.928 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)c(OC)c1 12273944 SSEAKYXSIGCQON-APSNUPSMSA-N 417.464 3.513 10 40 HHCB COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C 14009248 SYIHRQRYSFEYDK-MFOYZWKCSA-N 415.287 3.817 10 40 HHCB COc1ccc(N2CCN(C(=O)CCN(C)Cc3cccc(Cl)c3)CC2)cc1 32776725 VWNYICROSQOQQM-UHFFFAOYSA-N 401.938 3.519 10 40 HHCB CC[C@H](C)n1nc(-c2ccc(N3CCN(c4ccc(OC)cc4)CC3)cc2)[nH]c1=O 64220073 YJDVJBBIKKKAST-KRWDZBQOSA-N 407.518 3.545 10 40 HHCB CCc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(N(CC)CC)cc3)C2=O)cc1 100792939 INPQROGWNRRFOO-HKWRFOASSA-N 406.486 3.674 10 40 HHCB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@H]3C2=O)c1 100900425 LHCMQUIDDUZMNR-VSKRKVRLSA-N 400.434 3.752 10 40 HHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OC(C)C 408810235 LULYWCSCPWBDRF-CXUHLZMHSA-N 414.845 3.802 10 40 HHCB Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1C 409392380 LUHSSFXCLMQMMM-DEDYPNTBSA-N 414.465 3.772 10 40 HHCB CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\c3cnn(-c4ccccc4)c3)C2=O)cc1 1179973 RXJDMXVGESMLLO-UDWIEESQSA-N 400.438 3.662 10 40 HHCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(Cl)cc3Cl)CC2)cc1 3555445 HSUVPYBEBSPWPL-UHFFFAOYSA-N 423.296 3.508 10 40 HHCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1 409245346 RGKOOFQCFJFHSS-RVDMUPIBSA-N 400.887 3.959 10 40 HHCB COc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)OC(C)(C)C)C1=O 4933349 QZELLXKJHWWLFB-GZTJUZNOSA-N 418.515 3.673 10 40 HHCB O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)c1 8820682 KRSMDNQGEKDBQW-LZYBPNLTSA-N 424.459 3.970 10 40 HHCB N=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)C(=O)N=C2SC=NN12 41074276 CRPVGUNFRJQMDF-FMVWKBIMSA-N 404.480 3.850 10 40 HHCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3cccc(NS(C)(=O)=O)c3)cc2)CC1 218567404 IKNONOCGZVFCAZ-QGZVFWFLSA-N 415.559 3.785 10 40 HHCB CN(C)c1ccc(/C=C/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1 409240313 SLDFSGHGZMHFIP-OWRQJNCQSA-N 411.914 3.794 10 40 HHCB CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccccc2O)NC(=S)N1 823197 LSHLQSVDQIBVBD-MRXNPFEDSA-N 418.316 3.586 10 40 HHCB COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)N1CCc2ccccc21 44085861 LVLZBXCZQOALOD-UHFFFAOYSA-N 423.538 3.887 10 40 HHCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(CN2CCN(C)CC2)c2ccccc12 101020624 DGWVQSXPOCYLMR-XQNSMLJCSA-N 413.525 3.652 10 40 HHCB CCN1c2ccc(/C=C3/SC(=O)N(CC(=O)OC)C3=O)cc2C(C)=CC1(C)C 208513108 ZKIYKUKRMKOXHY-LICLKQGHSA-N 400.500 3.918 10 40 HHCB CCOc1cc(N2CCOCC2)ccc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222597481 YYCKGQBDOPMFST-SSKFGXFMSA-N 424.570 3.906 10 40 HHCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 100062294 GQCUEANXEKPQGU-KHOFPDMRSA-N 424.438 3.667 10 40 HHCB in-vitro CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)C(=O)NC2=S)cc1 409246801 BJBQORXRNJPPEV-NTEUORMPSA-N 419.300 3.997 10 40 HHCB COc1ccc(CCNC(=O)CSc2ncc(-c3ccc(OC)cc3)n2C)cc1 7423705 PSURSJOEXRMGJH-UHFFFAOYSA-N 411.527 3.555 10 40 HHCB CC1(C)[C@H]2CC[C@]1(C)[C@@H](N/C=C1/C(=O)NC(=O)N(c3ccc(Cl)cc3)C1=O)C2 20502571 RWBUMSZPGMQAES-IFFQIEHKSA-N 401.894 3.611 10 40 HHCB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S 54361137 MBEYOHPLTVUSAP-ZFOVBUMHSA-N 407.476 3.657 10 40 HHCB C[C@@H](NC(=O)c1c[nH]c(=S)n1-c1ccccc1)c1ccc(N2CCOCC2)cc1 65476824 QPISGSYTUISCKR-MRXNPFEDSA-N 408.527 3.862 10 40 HHCB O=C(O)CCCN1C(=O)/C(=C\C(Cl)=C\c2ccc([N+](=O)[O-])cc2)SC1=S 101262334 KAYIOGUDZRKROW-ZXXZFBTCSA-N 412.876 3.784 10 40 HHCB CC1=C(C(=O)O[C@@H]2CC[C@H](C)[C@H](C)C2)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 102060514 MHCSVBLIICKDAJ-LOSGSANQSA-N 401.576 3.913 10 40 HHCB COc1ccc(N2CCN(C[C@H](O)CCO[C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)CC2)cc1 253531572 AJDHPXQJIJMMJH-YAYWFPAWSA-N 416.606 3.800 10 40 HHCB Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)c1 5613214 LAZINGSTNLJIIO-CIAFOILYSA-N 417.465 3.966 10 40 HHCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(Cl)c3c(c2)OCO3)cc1 12543348 VJLOAFLSYHKVOZ-GOSISDBHSA-N 416.905 3.956 10 40 HHCB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c1C 12933377 WUQFLZNEOUYSDV-UHFFFAOYSA-N 416.952 3.746 10 40 HHCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)cc1 222765374 YBHJBKOZDJMSCJ-NHCUHLMSSA-N 420.538 3.878 10 40 HHCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S 27530444 YYJUTHLBHROJKD-OTXQMUPVSA-N 420.295 3.513 10 40 HHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OC 408810765 MUEKREYYKSGLRT-RIYZIHGNSA-N 414.845 3.640 10 40 HHCB CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1C 409391121 HJFCUXIERBBYRF-XSFVSMFZSA-N 414.465 3.718 10 40 HHCB CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O 4599449 AJPAVLQPUIZDGP-WOJGMQOQSA-N 414.483 3.702 10 40 HHCB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 223036527 QZUBEZAHGZIXOX-JOCHJYFZSA-N 415.965 3.874 10 40 HHCB CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COC(C)C 224720318 IJOMGLZPFDGKNE-UHFFFAOYSA-N 412.530 3.981 10 40 HHCB COc1ccc(C=C2SC(=S)N(CNc3ccc([N+](=O)[O-])cc3)C2=O)cc1 2049236303 UVYGVEANHMLMNZ-UHFFFAOYSA-N 401.469 3.874 10 40 HHCB COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 12419411 NGDKPMVSPCODHB-SXGWCWSVSA-N 402.453 3.671 10 40 HHCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(O)cc2)C1=O 13576678 UGRUUXWCKGCZIU-ATVHPVEESA-N 414.508 3.631 10 40 HHCB CN(C)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 15134382 CKGGXJVAQDSIOD-UHFFFAOYSA-N 415.540 3.545 10 40 HHCB CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)C1=O 20030463 GYZPXNKNXOQLQK-OVCLIPMQSA-N 415.833 3.768 10 40 HHCB COC(=O)c1ccc([C@H](c2c(O)ccc3ccc(OC)cc23)N2CCOCC2)cc1 25573259 LOZKNCITSXWWFA-HSZRJFAPSA-N 407.466 3.762 10 40 HHCB CC1=CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc21 113815409 IRLUWJIRCUKHCW-UHFFFAOYSA-N 403.935 3.570 10 40 HHCB COc1ccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2c2ccc(O)cc2)cc1 408760745 FIAAVMMTHXNUCM-KGENOOAVSA-N 414.417 3.934 10 40 HHCB CC(C)(C)OC(=O)N1CCC2(CC1)CC(N1CCN(c3ccc(N)cc3)CC1)C2 2362803851 TVGCEBVJYVNOTP-UHFFFAOYSA-N 400.567 3.571 10 40 HHCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCC(C)CC3)C2=O)cc1 4159123 RNILXJIWCFHRBL-ATVHPVEESA-N 404.557 3.545 10 40 HHCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)o3)C(O)=NC2=S)c1 59138543 AUXBUQNOGSOOSV-GHRIWEEISA-N 411.483 3.950 10 40 HHCB CCn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21 12364145 FFMYOWAWFZRWHI-LDADJPATSA-N 405.479 3.501 10 40 HHCB Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1-c1ccc(OC(F)(F)F)cc1 6607376 JSDHJZQZDHXQBL-UHFFFAOYSA-N 411.409 3.668 10 40 HHCB CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c1C 409099251 KKKMIGBCNVJPBB-CXUHLZMHSA-N 416.275 3.554 10 40 HHCB CN1C(=O)/C(=C/c2ccc(C(=O)Nc3ccc4nccnc4c3)cc2)SC1=S 8990763 KKOXQSHLSLSBTD-YVLHZVERSA-N 406.492 3.713 10 40 HHCB Cc1cc(NS(=O)(=O)c2ccccc2)c(C)c(S(=O)(=O)c2ccccc2)c1O 2503805 HTVZLIUVADNULV-UHFFFAOYSA-N 417.508 3.643 10 40 HHCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\NNc3cc(Cl)ccc3Cl)C2=O)c1 408536002 VDVVHIRNAWUZAT-UKTHLTGXSA-N 419.268 3.694 10 40 HHCB O=C1/C(=C\c2ccco2)SC(=S)N1CC(=O)N1CCCC[C@H]1c1cccnc1 33589412 OBEUVMLWQNEILI-KTZOAPACSA-N 413.524 3.630 10 40 HHCB COc1ccc(N2CCN(C(=O)c3cc(OC)c4cc(F)cc(C)c4n3)CC2)cc1 72328792 AHLPBYQFPZGIOC-UHFFFAOYSA-N 409.461 3.662 10 40 HHCB C[C@@H](NCc1ccccc1CN1CCC(O)CC1)c1cc(Br)ccc1O 95469452 HHQLJCTWCMWVGJ-OAHLLOKOSA-N 419.363 3.962 10 40 HHCB CC1=NN(c2ccc3nncn3n2)C(=O)/C1=C/Nc1cc(C(F)(F)F)ccc1Cl 101641015 HAVOHAJSBAJCQD-YRNVUSSQSA-N 421.770 3.515 10 40 HHCB Cc1ccc(C)c(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)NC2=S)c1 409231615 DDIYGECZYDIWMN-UNKWGXRISA-N 407.451 3.599 10 40 HHCB COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(Br)c1OC 58865559 AHDSQMVMOHVAJF-UHFFFAOYSA-N 411.248 3.610 10 40 HHCB COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(F)cc1 8495342 NUROXUTXYLAIGI-XSFVSMFZSA-N 418.424 3.875 10 40 HHCB O=S1(=O)N=C(CN2CCCc3cc(OC(F)(F)F)ccc32)Nc2ccccc21 58414852 KMQLGGSPIPHGOJ-UHFFFAOYSA-N 411.405 3.551 10 40 HHCB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O 409100484 NYTAJDOVEIVFRW-RVDMUPIBSA-N 400.887 3.878 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC 408813670 NTANFNMCNGXHSK-GXDHUFHOSA-N 414.845 3.722 10 40 HHCB COC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1 33776564 MGBZLSSMZKPNAC-CXUHLZMHSA-N 403.456 3.783 10 40 HHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C 223017701 YZASYEPMEJUUJF-FGZHOGPDSA-N 421.570 3.811 10 40 HHCB COc1c(Br)cc(/C=C2/SC(=S)NC2=O)cc1Br 12417986 FGDKWJUUYQTFFJ-XBXARRHUSA-N 409.124 3.709 10 40 HHCB CN1CCN(c2ccc(CNC(=O)CSCc3ccccc3Cl)cc2)CC1 216928881 SNCNJWIWMWDNQB-UHFFFAOYSA-N 403.979 3.641 10 40 HHCB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCOCC2)cc1 223750942 ZTBQIIMEHLNUSJ-DEOSSOPVSA-N 408.542 3.876 10 40 HHCB CCCN1C(=O)/C(=C\c2cc(OC)ccc2OC)C(=O)N(c2ccccc2)C1=S 409017211 LKIWGNKQGOHDNF-NBVRZTHBSA-N 410.495 3.658 10 40 HHCB CC(C)N1C(=O)/C(=C\c2ccc(N(C)C)cc2)C(=O)N(CCc2ccccc2)C1=O 4472667 GJHCMDLDDULJKY-PGMHBOJBSA-N 405.498 3.578 10 40 HHCB COc1cc(/C=C2\SC(=S)N([C@H](CC(=O)O)c3ccccc3)C2=O)ccc1O 5214088 RIRGBKAZVBXSCD-AYCSXLNKSA-N 415.492 3.818 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)c(OC)c1 13804410 PTALYMQBTYTZMQ-YVLHZVERSA-N 414.508 3.558 10 40 HHCB COc1ccc(CCN2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)cc1OC 33339571 OFPSHQZCCFLGBQ-LDADJPATSA-N 401.509 3.853 10 40 HHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(N(CC)CC)cc2)C1=O 409246344 BIDWIQKNVNDYLJ-SDXDJHTJSA-N 407.470 3.598 10 40 HHCB Cc1cc(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(C)n1-c1ccccc1F 2646831 OOYMVXZSSQKEIG-UHFFFAOYSA-N 423.473 3.890 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OC 6354881 DVDPHBPOXXGECG-NTEUORMPSA-N 414.845 3.722 10 40 HHCB CCCCCC[C@H](C)N/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 6397203 WGBTUJCBMCCMQE-WIOAZZGGSA-N 422.323 3.864 10 40 HHCB CCN(CC)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(C)=O)cc1 55112340 XOWSUJVGLNYDSE-FYYLOGMGSA-N 405.498 3.961 10 40 HHCB COc1ccc(-c2cnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2C)cc1 7423568 LNGWVVXYHJRDOL-UHFFFAOYSA-N 410.499 3.785 10 40 HHCB Cc1cc(C(=O)CN(C)S(=O)(=O)c2cccs2)c(C)n1-c1ccccc1F 23658354 ONXUJCLIGNJQDC-UHFFFAOYSA-N 406.504 3.798 10 40 HHCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)o1 12868210 HYSUWEHSSGNRER-LDADJPATSA-N 422.437 3.748 10 40 HHCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C\C2=Cc3ccccc3O[C@@H]2C)SC1=S 13730145 YZESAYPDGUCDEM-MDHSVXEESA-N 421.565 3.801 10 40 HHCB CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 7245119 PSESJPSSURBOHK-QFIPXVFZSA-N 423.557 3.709 10 40 HHCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Br)o1 409236165 DOUGSIVFNSBAFK-VQHVLOKHSA-N 411.664 3.527 10 40 HHCB CCOc1ccc(CCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OCC 44838875 XWODQYWEWQVLII-UHFFFAOYSA-N 412.530 3.774 10 40 HHCB O=C1NC(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1c2ccccc2cc2ccccc12 9319244 IWPFFZLFKIIMGC-RSZPVBOMSA-N 400.434 3.634 10 40 HHCB O=C(COC(=O)[C@]12CCC(=O)N1CCS2)Nc1ccc(/N=N/c2ccccc2)cc1 12542431 AMUPTLJEYCMWKG-VANSDEMISA-N 424.482 3.649 10 40 HHCB CC[C@@H](C)N1C(=O)/C(=C\NCCC(c2ccccc2)c2ccccc2)C(=O)NC1=S 101087535 JVZGDAKJKJVUNM-RRMQHPPMSA-N 421.566 3.724 10 40 HHCB CCCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCC2 102205561 PLOPPQXIMUZDQH-APYUEPQZSA-N 403.500 3.655 10 40 HHCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(C)cc1C 112289584 DEMSZMBHJOGNJB-QNGOZBTKSA-N 422.441 3.863 10 40 HHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C 223017173 RGVLXJWGORLHGT-FGZHOGPDSA-N 421.570 3.811 10 40 HHCB COCCC(=O)N[C@]1(C)C[C@H](c2ccc(O)c(CN(C)C)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257320284 VWAXRBPDIUMMKO-DSQRQMGKSA-N 418.578 3.631 10 40 HHCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)OC(C)C 408601661 LHSFWSJHUGXNFX-XDHOZWIPSA-N 408.454 3.832 10 40 HHCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1C(=O)O 408790116 NVVNUTKEODVWLX-UYRXBGFRSA-N 407.422 3.661 10 40 HHCB O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 1899459 CBPOKMCVXUYVHW-GDNBJRDFSA-N 418.452 3.921 10 40 HHCB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 14415055 RDDLRZOOWYKDSW-HKWRFOASSA-N 406.438 3.900 10 40 HHCB CCOc1cc(N2CCOCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 260788330 YYCKGQBDOPMFST-NPFVIJTESA-N 424.570 3.906 10 40 HHCB CC(C)COC(=O)N[C@H](CC(N)=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 409002378 NMAZAIKXWGEEQM-IRCXXISZSA-N 411.462 3.667 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCCCOc2ccccc2)cc1 6194116 YGSOKJAQCRTUKG-NKFKGCMQSA-N 414.461 3.996 10 40 HHCB CN(C)c1ccc(CNC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1 9863111 RUZUSQINLCYCBX-UHFFFAOYSA-N 400.482 3.909 10 40 HHCB CN1CCc2cc([C@H](CNC(=O)c3ccc4ccccc4c3)N3CCOCC3)ccc21 22733509 LKQLXEOSYDAWDZ-VWLOTQADSA-N 415.537 3.635 10 40 HHCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccccc1O 27530575 QDNPYSNZPOURNY-LFIBNONCSA-N 402.472 3.761 10 40 HHCB O=S(=O)(c1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)cc1)N1CCOCC1 880136 MUYWCFYXDHYKRC-JQVVWYNYSA-N 414.502 3.673 10 40 HHCB O[C@]1(c2ccc(F)cc2)CN(c2ccc(Br)cc2)C2=[N+]1CCCS2 4086721 PXUJDYLCFAHFEV-SFHVURJKSA-N 408.316 3.759 10 40 HHCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O 4648607 IEVOVCUIGLZUKK-VUVCFOEZSA-N 413.499 3.785 10 40 HHCB CCN(CC)c1ccc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])cc1Br 5585460 JCMRGHKRRCUYMY-FNORWQNLSA-N 409.240 3.575 10 40 HHCB CC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 5832179 QYVYGJRMHDAIMI-OQLLNIDSSA-N 402.522 3.791 10 40 HHCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(C)c1 14414400 GIDYWRMGFJQHDJ-ZHZULCJRSA-N 421.493 3.928 10 40 HHCB CCN(CC)c1ccc(/C=C2/N=C(c3ccc(NC(C)=O)cc3)OC2=O)cc1[N+](=O)[O-] 16678656 DAQJKCRMQABOSY-LDADJPATSA-N 422.441 3.744 10 40 HHCB Cn1cc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)c2ccccc21 27229561 SDZIOFKFUBADQN-QNGOZBTKSA-N 402.523 3.971 10 40 HHCB CN1C(=O)C(=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)C(=O)N(C)C1=O 911157 QWKVCIXABPDEHH-UHFFFAOYSA-N 420.465 3.637 10 40 HHCB CCN(CC)c1ccc(/C=c2/sc3nnc(-c4ccc(Cl)cc4)n3c2=O)cc1 3635983 OEMMHLAJXHYNOU-QGOAFFKASA-N 410.930 3.865 10 40 HHCB CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)C)N2CCN(c3ccccc3)CC2)cc1 22665396 DYZKBGMPLKLOER-HSZRJFAPSA-N 408.590 3.778 10 40 HHCB Cc1ccc(Nc2cc(C)c(N)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)O)c1 31302873 NPTFPGVUCJVNBW-UHFFFAOYSA-N 422.462 3.651 10 40 HHCB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc21 113781555 YWHRKRZQWRJNSU-LLVKDONJSA-N 405.951 3.661 10 40 HHCB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(N(C)C)cc1 197582853 QWTTXJREEIVQLV-HMAPJEAMSA-N 414.534 3.930 10 40 HHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C 223010236 FACUSZHNCFEIQC-VXKWHMMOSA-N 422.554 3.814 10 40 HHCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)NC1=S 409241487 XWDBZYZFXLPGKX-SAPNQHFASA-N 409.511 3.800 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c2ccccc12 409243793 UJBQGVFSGBFSCV-QGOAFFKASA-N 402.475 3.988 10 40 HHCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12 409389933 CYCPLGHQPYTRML-KGENOOAVSA-N 422.444 3.751 10 40 HHCB Cc1ccccc1-n1cccc1/C=C1\C(=O)NC(=S)N(c2cccc(F)c2)C1=O 4711354 LEBUKFVUQCYXEN-QGOAFFKASA-N 405.454 3.756 10 40 HHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1F 223576092 VHYLRNMEOZWEPO-LEWJYISDSA-N 410.518 3.593 10 40 HHCB CCN(CC)c1ccc(CN2CCc3c(O)nc(N4CCC(C)CC4)nc3C2)cc1 72347354 KXVGQKAAQLGGQP-UHFFFAOYSA-N 409.578 3.823 10 40 HHCB COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 225838498 IPIQLTBLSGZHDL-MRXNPFEDSA-N 413.543 3.666 10 40 HHCB COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1F 6407640 DKWALLQWQNDRSB-XMHGGMMESA-N 418.424 3.875 10 40 HHCB O=[N+]([O-])c1ccc(-n2cccc2NS(=O)(=O)Nc2ccc(F)cc2)c(Cl)c1 4049830 SNMREDFLSQXBAY-UHFFFAOYSA-N 410.814 3.947 10 40 HHCB COc1cc(OC)c(OC)cc1/C=C1/C(=O)N(c2cc(C)ccc2C)C(=O)N=C1O 8743690 FURPUYSHUNCDNS-OQLLNIDSSA-N 410.426 3.836 10 40 HHCB COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 10214504 FEPDENJGSZGYHQ-FQEVSTJZSA-N 421.497 3.591 10 40 HHCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)O)cc3)SC2=S)cc1 16906420 FGJGBJZTAIFDLK-GZTJUZNOSA-N 415.492 3.955 10 40 HHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C 223010688 IYXQAEFCGZHDAW-FGZHOGPDSA-N 422.554 3.814 10 40 HHCB COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O 409346112 MQCKIRRQYFDVKW-NVNXTCNLSA-N 417.424 3.917 10 40 HHCB COc1ccc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)c2C)c1 20236959 NYVMZRPMXPHOEI-FIBLLSQRSA-N 406.442 3.562 10 40 HHCB C[C@@H](NC1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCN(C)CC2)cc1 95454548 NVWBQYFPWINGRV-KMFTYDHNSA-N 401.595 3.990 10 40 HHCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 4077101 KWIFGGDVXLFVGT-SEVUFMINSA-N 400.319 3.760 10 40 HHCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 409095323 AUOVWTSQSNHGCE-MHWRWJLKSA-N 413.836 3.746 10 40 HHCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)SC1=S 5371467 DSLUZHGVHUPZTL-RERGGYADSA-N 409.529 3.939 10 40 HHCB CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 5910402 GIEMGXFJMDURAZ-KOZAUXTDSA-N 403.500 3.654 10 40 HHCB Cc1cc(Br)ccc1N1C(=O)/C(=C\c2sccc2C)C(=O)NC1=S 12363690 JLNPOBNXLAERPD-WQLSENKSSA-N 421.341 3.959 10 40 HHCB Cc1ccccc1Cn1cccc1/C=C1/C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 13688143 FYEOJCSPCAGMRA-MOSHPQCFSA-N 403.413 3.650 10 40 HHCB CCCc1nnc(N/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)s1 100163537 VSFCCPCRCHNUQT-LCYFTJDESA-N 406.309 3.972 10 40 HHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1 223614662 GQALRJUWVACGBY-FGZHOGPDSA-N 406.555 3.844 10 40 HHCB CCN(CC)c1ccc(/C=c2\sc3nc4c(C)cc(C)cc4n3c2=O)c(OC)c1 408721799 YYGQVGHIGUGWOD-NDENLUEZSA-N 407.539 3.929 10 40 HHCB Cc1ccc(COc2ccc3ccccc3c2C=C2C(=O)NC(=S)NC2=O)cc1 408872781 ISDDKYWIYGXFPD-UHFFFAOYSA-N 402.475 3.642 10 40 HHCB CCCOC(=O)CN1C(=O)/C(=C/c2ccc(OCC)c(OCC)c2)SC1=S 1809420 IHLOFHOLUWTQMB-WJDWOHSUSA-N 409.529 3.638 10 40 HHCB C[C@H]1CCCN(S(=O)(=O)c2ccc(N[C@@H](C)c3ccccc3O)c([N+](=O)[O-])c2)C1 12523204 RWEMWKNEQKMNIE-GJZGRUSLSA-N 419.503 3.894 10 40 HHCB CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/Nn1cnnc1 101128221 VNOBLFRJASDMBP-CIAFOILYSA-N 402.502 3.596 10 40 HHCB COc1ccc(/C=C2/SC(N3CCN(c4ccccc4C)CC3)=NC2=O)cc1OC 13786365 OTFPPVRVIDAFJO-RCCKNPSSSA-N 423.538 3.805 10 40 HHCB O=C1Nc2cc(Cl)ccc2/C1=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 14407227 MWXFFOKRVKUAMC-YBFXNURJSA-N 421.884 3.646 10 40 HHCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 78800530 ABJZQDDZSBJFPY-IRLDBZIGSA-N 414.933 3.917 10 40 HHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc2c(c1)OCO2 222745118 ONDBVEFAKGCJKX-RTWAWAEBSA-N 406.511 3.820 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c(C(=O)O)c1OC 12436519 ZKXRNBPHPRDTOP-ZROIWOOFSA-N 419.455 3.947 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(OC)c1 13344058 PPFYHAIOGBIYBS-SXGWCWSVSA-N 401.465 3.808 10 40 HHCB O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(Br)ccc1Cl 54285127 DNRQFWJRPHNLQA-UHFFFAOYSA-N 409.711 3.869 10 40 HHCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 107762493 SHNIYURGPQKPRX-UNOMPAQXSA-N 424.432 3.735 10 40 HHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)ccc1OC(C)C 409242127 MKCVYYDAVLSXCX-GZTJUZNOSA-N 424.522 3.931 10 40 HHCB COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(N(C)C)cc4)S3)CC2)cc1 1443332 NZDWGKYQRNPJEQ-PGMHBOJBSA-N 422.554 3.554 10 40 HHCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3C[C@H]3CCCO3)c2C)cc1 9864684 PKDAADCMKKJYTA-GOSISDBHSA-N 411.531 3.543 10 40 HHCB O=C(O)CN1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC1=S 12428574 HAMXKLVFKPINFK-MLPAPPSSSA-N 424.843 3.794 10 40 HHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1C(=O)O 222742248 VWUDCVPGEHQRIB-PMACEKPBSA-N 406.511 3.790 10 40 HHCB CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1NC(C)=O 223262036 KQMZHZFMGURDBQ-UHFFFAOYSA-N 417.512 3.968 10 40 HHCB O=C1NC(=S)NC(=O)C1=Cc1c(OCc2ccccc2Cl)ccc2ccccc12 408893263 DKLADKGSYSTJMJ-UHFFFAOYSA-N 422.893 3.987 10 40 HHCB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)cc2)SC1=S 409211721 OBPBPZJEYPJBSR-YVLHZVERSA-N 417.483 3.779 10 40 HHCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc1 409340739 ANRPLOYOHYVERM-XMHGGMMESA-N 415.559 3.828 10 40 HHCB CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCC2 101940846 GIEMGXFJMDURAZ-RKLWJJNISA-N 403.500 3.654 10 40 HHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccc(OC)c2OC(C)C)C1=O 409014889 QPBQBDREIHHDJR-GHRIWEEISA-N 408.454 3.711 10 40 HHCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccccc2)C(=O)NC1=S 408741807 NWXJFQACWZBOMD-GXDHUFHOSA-N 401.285 3.589 10 40 HHCB CCN(CC)c1ccc(/C=C/[N+](=O)[O-])c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 409063145 HRUYUEPZEAKRLR-ZHACJKMWSA-N 414.418 3.706 10 40 HHCB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 216945809 NZORMAFUJUJIBL-IBGZPJMESA-N 409.574 3.820 10 40 HHCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)ccc1O 35648253 FKULFNJSWXWXOS-LZYBPNLTSA-N 417.464 3.601 10 40 HHCB CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2ccc(N)cc21 6247549 ZWHAMIDYODLAKH-UHFFFAOYSA-N 401.466 3.969 10 40 HHCB in-vitro COCCN1C(=O)[C@H](Cc2ccccc2OCc2cccc(F)c2)SC1=S 8104652 ZAESXNQMQDMPKP-SFHVURJKSA-N 405.516 3.823 10 40 HHCB COC(=O)c1cnc2c(c1)c(C)nn2CN(C)Cc1ccc(N2CCCCC2)cc1 62581185 FXVHPFBYHBVGBG-UHFFFAOYSA-N 407.518 3.606 10 40 HHCB Cc1ccc(-n2nc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)c2C)cc1 408756003 GWCICEQCQDUSTG-FYJGNVAPSA-N 414.465 3.772 10 40 HHCB COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OC(C)(C)C 6563388 SIEYNHNLICOJOO-LFIBNONCSA-N 400.862 3.987 10 40 HHCB CCCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OCC 408883368 UDAFVPAJOBBWSS-LGMDPLHJSA-N 410.495 3.705 10 40 HHCB COc1cc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)ccc1OCC(=O)O 33311301 VXJUVESIUVBZDN-NTEUORMPSA-N 400.818 3.618 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)ccc1OC 14011158 SVBSPEYQOPMVLV-LDADJPATSA-N 408.454 3.884 10 40 HHCB COc1ccc(N2CCN(C[C@@H](O)CO[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)CC2)cc1 55501563 YXWLUFJYUXOUAJ-FPVCRCAZSA-N 404.595 3.656 10 40 HHCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O 409013835 WFGZUTDHWYBKPD-ADFUCPMPSA-N 413.499 3.785 10 40 HHCB O=S(=O)(c1ccc(F)cc1)N1CCCN(Cc2c(O)ccc3ccccc23)CC1 8338616 DRFIRRUYSNVWLB-UHFFFAOYSA-N 414.502 3.581 10 40 HHCB CCN(CC)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(C)=O)cc1 55112350 XOWSUJVGLNYDSE-GMAHTHKFSA-N 405.498 3.961 10 40 HHCB CC(=O)Oc1ccc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1 41108011 NORWIQPYAHVQPH-QNPDVEALSA-N 424.869 3.933 10 40 HHCB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@H]3C2=O)c1 100900420 LHCMQUIDDUZMNR-FSSWDIPSSA-N 400.434 3.752 10 40 HHCB CN1C(=O)C(=Cc2ccccc2OCc2cccc3ccccc23)C(=O)N(C)C1=O 113833872 OTAUJTLDWYQMDK-UHFFFAOYSA-N 400.434 3.853 10 40 HHCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 408891692 BKJROCDRZXZHND-PDGQHHTCSA-N 409.438 3.677 10 40 HHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(OC)cc2)C1=O 408955687 YNGSNENPXCUBTN-HMMYKYKNSA-N 415.449 3.715 10 40 HHCB Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)o1 1236432 OBGYRHBLISIYHS-JYRVWZFOSA-N 423.313 3.897 10 40 HHCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3)C(=O)NC2=S)cc1 4675552 MPYBJIRAOVTSPB-HKWRFOASSA-N 421.522 3.517 10 40 HHCB COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 57378539 VBVZXZRNRLAZNW-HNNXBMFYSA-N 407.436 3.863 10 40 HHCB CCc1ccccc1N1C(=O)/C(=C\c2c(C)n(C)c3ccccc23)C(=O)NC1=S 59678453 CNRKBTKOLJQMEF-AQTBWJFISA-N 403.507 3.880 10 40 HHCB CCOc1ccccc1/C=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)C(C)=C1C(=O)OC 107842975 FYEJVJXWSVKMQT-AQTBWJFISA-N 408.410 3.871 10 40 HHCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc3ncccc3c2)SC1=S 8993359 QVVJPHMEWMDWLW-GWQWUEFDSA-N 404.538 3.642 10 40 HHCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1c(F)cccc1F 9703744 WTPXHJSZYCOPBO-UHFFFAOYSA-N 421.355 3.536 10 40 HHCB O=C1Cc2cc(C(=O)CSc3nnc(-c4ccco4)c(-c4ccco4)n3)ccc2N1 13566440 FYBVNAZUSZEHEF-UHFFFAOYSA-N 418.434 3.861 10 40 HHCB COc1ccc(CNCc2c(O)c(Cl)cc3c4c(c(=O)oc23)CCC4)c(OC)c1 20573592 MUKROMYWKQCUMQ-UHFFFAOYSA-N 415.873 3.948 10 40 HHCB CN1CCN(CN2C(=O)/C(=C\c3cn(C)c4ccccc34)c3ccc(Cl)cc32)CC1 22785404 NPWCLTJLIFSCMT-BKUYFWCQSA-N 420.944 3.924 10 40 HHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/NC1=CC=C[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]12 101125479 IRGZZJWBKWVKPF-CRJZHZJASA-N 423.472 3.956 10 40 HHCB Cc1ccc(COc2ccc3ccccc3c2C=C2C(=O)NC(=O)NC2=O)cc1C 408800747 PCWUHULCNHCYPT-UHFFFAOYSA-N 400.434 3.785 10 40 HHCB Cc1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)c(C)n1-c1cccc(Cl)c1Cl 409145110 MITOUHPVWPMHLB-WQLSENKSSA-N 408.310 3.657 10 40 HHCB COc1ccc(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)cc1 2497212 WWPDFQGBFIREKS-UHFFFAOYSA-N 419.480 3.532 10 40 HHCB O=S(=O)(Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12)c1ccc(F)cc1 816406 NIDNCFYOVWQKEO-UHFFFAOYSA-N 416.459 3.755 10 40 HHCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2ccccn2)o1 408989943 JLRVLFKGIMKPGM-NTCAYCPXSA-N 407.476 3.657 10 40 HHCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1OC(C)C 409013996 OJSUPGRHZFCNPZ-LDADJPATSA-N 408.454 3.766 10 40 HHCB O=C(O)CCCN1C(=O)/C(=C/c2cc(Br)ccc2F)SC1=S 70040398 MESAUWIZYOVVNX-XFFZJAGNSA-N 404.282 3.654 10 40 HHCB O=c1ccc2ccc(O)c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@H]43)c2o1 606440436 MJNBWCXFQYNSNU-RSKVWTTASA-N 406.526 3.894 10 40 HHCB biogenic Cc1cccc(C(=O)N[C@@H](C)C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)c1 13062745 QRRRLMCSSZIXDR-SFHVURJKSA-N 418.493 3.947 10 40 HHCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2OC)C1=O 409252489 SDHHTZBJVCTMIQ-QCUKBLKESA-N 418.515 3.673 10 40 HHCB Cc1ccc2c(c1NC(=S)NC(=O)c1ccccc1)C(=O)c1ccccc1C2=O 4014330 OGOSIRSKHSMTPB-UHFFFAOYSA-N 400.459 3.897 10 40 HHCB CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(O)cc3)=NN12 10214196 IMDZSMWKNDJXRJ-FQEVSTJZSA-N 407.470 3.884 10 40 HHCB COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(N4CCN(C)CC4)cc3)on2)cc1 12401868 JIDSIXVZLZNGJO-KRWDZBQOSA-N 420.513 3.593 10 40 HHCB Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C 408967596 VZXZDICOXIXWFQ-CPNJWEJPSA-N 403.413 3.900 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCCCOc2ccccc2)c1 6194166 DSRQDXUTSCWFBR-NKFKGCMQSA-N 414.461 3.996 10 40 HHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1cccc(F)c1 33489200 FAFHSSJTBWUAMV-MOSHPQCFSA-N 418.424 3.875 10 40 HHCB O=C1c2ccccc2-c2ncnc3ccc(Nc4ccc(S(=O)(=O)O)cc4)c1c23 3067613 FYCABJUZWOXSIE-UHFFFAOYSA-N 403.419 3.832 10 40 HHCB CCC(CC)C1=NN2C(=N)/C(=C\c3cc(OC)c(OC)c(OC)c3)C(=O)N=C2S1 5562128 MLYIOYSIVIZIGE-UJTIYTRRSA-N 416.503 3.768 10 40 HHCB CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)NC1=S 9311646 ATMMOYBEGBOOHR-UKTHLTGXSA-N 421.305 3.829 10 40 HHCB C[C@H](NCc1ccccc1CN1CCC(O)CC1)c1cc(Br)ccc1O 95469451 HHQLJCTWCMWVGJ-HNNXBMFYSA-N 419.363 3.962 10 40 HHCB Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 223623116 MOOYYNJBXNAMGA-VXKWHMMOSA-N 421.570 3.547 10 40 HHCB CCOc1ccc(N2C(=O)/C(=C\c3cc(OC)ccc3OC)C(C(=O)OC)=C2C)cc1 408894982 SPNXCOZGSTUMSQ-ZHZULCJRSA-N 423.465 3.980 10 40 HHCB O=C(NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)c1cccc([N+](=O)[O-])c1 1821438 WKORRXZEXSXRAD-SXGWCWSVSA-N 424.463 3.622 10 40 HHCB COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)c1 8753572 LNOSYTRRPUMQEO-PXNMLYILSA-N 417.464 3.513 10 40 HHCB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 8763407 SKZGBORSOYQUSU-KMHUVPDISA-N 418.452 3.919 10 40 HHCB COc1ccc(-c2ccc(CCC(=O)O)n2CC(=O)Nc2ccccc2OC)cc1 9094811 HRGYIRQOZYTGIQ-UHFFFAOYSA-N 408.454 3.828 10 40 HHCB C[C@@H]1CCc2c(sc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c2C(N)=O)C1 13062828 WQRWLLAPYYHPBR-SECBINFHSA-N 418.462 3.791 10 40 HHCB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S 13691056 MBEYOHPLTVUSAP-YTBHAWNYSA-N 407.476 3.657 10 40 HHCB CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C(=O)O)c2C(=O)OC)C1 225773878 FPUNATGJXAZBLG-DCRFOKDXSA-N 417.527 3.901 10 40 HHCB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC)c4ccccc34)C(=O)N=C2O)cc1 2394191 NGKXEZSVJXQVTA-CPNJWEJPSA-N 403.438 3.931 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)c1 409098537 PCIZYKWKWMIVMX-XNTDXEJSSA-N 400.887 3.797 10 40 HHCB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(CCOC)c3C)N(C)C2=S)cc1 409141693 INZVVAMJXJQBDJ-ZHZULCJRSA-N 413.543 3.754 10 40 HHCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1O 1238393 SDLKYCBEQOMCTQ-GZTJUZNOSA-N 415.492 3.983 10 40 HHCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1 4070687 WTIDUHXASKZSNN-GZTJUZNOSA-N 414.508 3.544 10 40 HHCB CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(=O)OC)C1 101385298 XXEHSBZPOHEQAK-IKUJJKIKSA-N 403.500 3.511 10 40 HHCB CCCCOC(=O)CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 1766830 JDAYXBOYCGUCPG-LCYFTJDESA-N 414.346 3.994 10 40 HHCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100148685 DZVXVGAGDNGLGG-CXUHLZMHSA-N 401.766 3.875 10 40 HHCB CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc2c(c1)OCCCO2 8156335 UUYHJVQMDDOAQT-UHFFFAOYSA-N 416.543 3.659 10 40 HHCB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)cc21 260921013 OBTIEOXXVDFLMT-LEWJYISDSA-N 408.571 3.678 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1Cl 1168040 LXCMYLZGUUMZRN-NTEUORMPSA-N 400.887 3.797 10 40 HHCB Cc1ccc(N2NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1C 753537 DDYVTRMVDWMPLT-XDHOZWIPSA-N 403.394 3.933 10 40 HHCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)c(OC)c1 4933328 JFZDCUICFJLXMO-GZTJUZNOSA-N 420.531 3.919 10 40 HHCB CCc1cc(=O)oc2c(CNCc3ccc(C(=O)OC)cc3)c(O)c(Cl)cc12 20591266 AVDRSBRATBSGFI-UHFFFAOYSA-N 401.846 3.791 10 40 HHCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1ccccc1 26642391 HWIZBIMTKHBKFS-AQTBWJFISA-N 401.509 3.984 10 40 HHCB COc1cccc(-c2cc3ccc(O)c(CN4CCC5(CC4)OCCO5)c3oc2=O)c1 72238397 ZEZCPBHNIJFXRS-UHFFFAOYSA-N 423.465 3.513 10 40 HHCB CC[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3CC4)c2C(=O)OC)C1 102345073 FPUNATGJXAZBLG-NTLKJNNPSA-N 417.527 3.901 10 40 HHCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 408892689 IYVJILXDMQVLMZ-WJDWOHSUSA-N 400.431 3.609 10 40 HHCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C1=O 409093904 BNEOLJPZVKHAHA-VGSSETLESA-N 402.447 3.831 10 40 HHCB COC(=O)c1cc2ccccc2c(CN2CCC(NC(=O)c3ccccc3)CC2)c1O 13008077 HZMLLSJQCWUPGQ-UHFFFAOYSA-N 418.493 3.726 10 40 HHCB CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3c(C)n(C)c4ccccc34)C2=O)c1 59303001 WKKJOXXOQFMADY-UYRXBGFRSA-N 403.438 3.552 10 40 HHCB Cc1cc(O[C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc(C)c1Cl 10113454 IGOTWOKAJFJHLR-KRWDZBQOSA-N 402.922 3.877 10 40 HHCB CNC(=O)C1CCN([C@@H](C)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 29165294 FQGQFMVMXPSNGA-INIZCTEOSA-N 401.938 3.777 10 40 HHCB CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1csc(Br)c1 72032426 WNYFOLGWQHVGGH-UHFFFAOYSA-N 410.381 3.667 10 40 HHCB CCOC(=O)/C=C/C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 9119974 LCOSBICHBBAWNU-MDZDMXLPSA-N 421.396 3.541 10 40 HHCB Cn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)c(Cl)cc21 223350133 FDONYSVZPNIIKW-UHFFFAOYSA-N 421.887 3.709 10 40 HHCB C[C@@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(N2CCOCC2)cc1 225839131 UPPRDZRTBQJITB-QGZVFWFLSA-N 424.570 3.698 10 40 HHCB CCCN1CCCc2cc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)ccc21 5643222 PVKGUFFFSWQHAZ-HMMYKYKNSA-N 403.482 3.511 10 40 HHCB CCN1C(=O)C(=C/C=C/C=C2\N(C)c3ccccc3C2(C)C)C(=O)N(CC)C1=S 8665800 WUJCGRBBISIKPR-NCOWYRMISA-N 409.555 3.776 10 40 HHCB COc1ccc(N2CCN(c3ncc(-c4ccncc4)c([C@H]4CCCO4)n3)CC2)cc1 19556610 XYXAKOPPGRXMNT-JOCHJYFZSA-N 417.513 3.725 10 40 HHCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCc1cccc(F)c1 409026237 JOVCCDXWKWCUJO-ZDLGFXPLSA-N 400.431 3.520 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)NC2=S)c(C)c1 4547168 RJHANYYDWUIERL-CPNJWEJPSA-N 417.490 3.631 10 40 HHCB NC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 4827342 SPCKCAPUVYXCMX-NVNXTCNLSA-N 404.900 3.610 10 40 HHCB COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 5371722 BHPUTRXXKDUTBU-YVLHZVERSA-N 415.492 3.896 10 40 HHCB CN(CCO)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 7885104 OCAPDHLMPMVDBW-HSZRJFAPSA-N 417.465 3.615 10 40 HHCB O=C(NN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)c1ccccc1 8983498 KGFCKTYYPIEVED-UVTDQMKNSA-N 419.325 3.995 10 40 HHCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3C[C@@H]3CCCO3)c2C)cc1 9864675 PKDAADCMKKJYTA-SFHVURJKSA-N 411.531 3.543 10 40 HHCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCCC3)o2)C1=O 409224512 IAIRLSKLSQNEGS-NTCAYCPXSA-N 413.861 3.898 10 40 HHCB O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1ccc([N+](=O)[O-])cc1 6422970 ZIVBIIJPEAHNCL-AQTBWJFISA-N 412.446 3.526 10 40 HHCB CC1(C)CCc2cc(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)ccc2O1 223705325 NTHKIFKMKUSWOE-UHFFFAOYSA-N 400.544 3.869 10 40 HHCB CC1=NN(c2ccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cc2)CC1 58407010 YZVUDAXGEMZHIG-ROUUACIJSA-N 424.520 3.955 10 40 HHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccccc1Cl 409231412 JYVLBAPOFRVPHL-GZTJUZNOSA-N 420.856 3.809 10 40 HHCB COc1cc(N2Cc3ccccc3[C@H](c3nccn3Cc3csc(C)n3)C2)ncn1 306134641 NUAOSBRSWWIVQA-LJQANCHMSA-N 418.526 3.647 10 40 HHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccccc3)C2=O)cc1 408843581 GDKCYXBGUUHIGS-HMMYKYKNSA-N 401.422 3.542 10 40 HHCB COc1ccc(C2(Nc3ccc([N+](=O)[O-])cc3OC)C(=O)c3ccccc3C2=O)cc1 16216417 PVBFVQDTVFVQOF-UHFFFAOYSA-N 418.405 3.999 10 40 HHCB COc1ccc(Br)cc1/C=C1\C(=O)NN(c2ccc(C)c(C)c2)C1=O 1425108 DKLZENJDUNHSOY-MHWRWJLKSA-N 401.260 3.536 10 40 HHCB Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Br)C2=O)o1 16663327 UTCGHQAKDVXJBJ-JYRVWZFOSA-N 423.313 3.897 10 40 HHCB CCN(CC)c1ccc(/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1 13751596 NZOWGMKKGKULCS-PDGQHHTCSA-N 410.930 3.865 10 40 HHCB CCOc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1 4745469 JJIJRYUYJMQJCM-FOWTUZBSSA-N 402.497 3.908 10 40 HHCB COc1ccccc1N1CC(=O)N(c2ccccc2)[C@@H](c2ccc(N(C)C)cc2)C1=O 15412353 JWZJYWSICIMKOE-DEOSSOPVSA-N 415.493 3.882 10 40 HHCB COc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 49003846 JYWXBQQCLXNLCF-UHFFFAOYSA-N 418.902 3.738 10 40 HHCB CCOc1ccc(NC2=NC(=O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)S2)cc1 18193711 VUDGWRMCRODBMU-YBEGLDIGSA-N 415.427 3.790 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(NC(=O)c2ccco2)cc1 8129918 LJBOOZMJLCEDIM-UHFFFAOYSA-N 419.481 3.641 10 40 HHCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C\C2=Cc3ccccc3O[C@H]2C)SC1=S 13730151 YZESAYPDGUCDEM-RAGYYJGWSA-N 421.565 3.801 10 40 HHCB COc1ccc(CCNC(=O)c2nc(-c3ccc(-n4cccc4)cc3)no2)cc1OC 4623126 WJUROSCRSWWXPT-UHFFFAOYSA-N 418.453 3.517 10 40 HHCB CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cccc1OC 4783830 VJHYYRKZXMLMIX-INQVIGDZSA-N 400.475 3.667 10 40 HHCB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCCC1=CCCCC1)c2[N+](=O)[O-] 4863005 HFZINIZPWZFLCX-UHFFFAOYSA-N 404.422 3.991 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OC(C)C)c1 408812924 XPNJFTQSHMBVCC-LICLKQGHSA-N 414.845 3.802 10 40 HHCB COc1ccc(N2CCO[C@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)cc1 216767860 YABYOBAQVNGURK-IBGZPJMESA-N 404.392 3.889 10 40 HHCB CCc1cc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)ccc1OC 223711858 TYLVEVYUCKDMIA-QGZVFWFLSA-N 402.560 3.972 10 40 HHCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)cc1C 4676841 FVOYGOQGNZKTIN-MTJSOVHGSA-N 417.465 3.966 10 40 HHCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1cc(C)cc(C)c1 17087681 NSEZKFOIYQYRCD-JWGURIENSA-N 407.470 3.964 10 40 HHCB C[C@@H]1CCCN(S(=O)(=O)c2ccc(N[C@H](C)c3ccccc3O)c([N+](=O)[O-])c2)C1 36413003 RWEMWKNEQKMNIE-HUUCEWRRSA-N 419.503 3.894 10 40 HHCB COc1ccc(N2CCN(S(=O)(=O)c3cc(C(C)C)c(C)cc3OC)CC2)cc1 48044506 JVNGFDACMBUELQ-UHFFFAOYSA-N 418.559 3.647 10 40 HHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C 223017249 BOZBNIUWKDGKDL-SFTDATJTSA-N 421.570 3.811 10 40 HHCB COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)NC1=S 409167810 NMZMKMYJAZULRM-FOWTUZBSSA-N 422.437 3.926 10 40 HHCB COc1ccc(/C(C)=C2\SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc1 2700268 HMMUMSIGGSGVEI-YBEGLDIGSA-N 401.465 3.895 10 40 HHCB CCN(CC)c1ccc(/C=c2/sc3nnc(-c4ccccc4Cl)n3c2=O)cc1 2826627 ACQINELRTJJBKZ-QGOAFFKASA-N 410.930 3.865 10 40 HHCB COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(Cl)c1OC 4611945 XUHNFWAUECSSFY-VIZOYTHASA-N 400.818 3.862 10 40 HHCB O=c1oc2c(CN3CCN(Cc4ccccc4)CC3)c(O)ccc2c2c1CCCC2 19793187 GTCGOGQHTBAVLC-UHFFFAOYSA-N 404.510 3.695 10 40 HHCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cccc(OCc2ccc(F)cc2)c1 107914299 HJDMUSLTNDRXQN-UDWIEESQSA-N 420.396 3.660 10 40 HHCB CCN(CC)c1ccc(CNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 223094650 HNPVUJJRENFVQS-UHFFFAOYSA-N 423.966 3.512 10 40 HHCB O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccccn1 13802135 CHOJVHNBAOPCKG-KAMYIIQDSA-N 403.916 3.965 10 40 HHCB C[C@@H](NC(=O)C1(c2cccc(F)c2)CCOCC1)c1ccc(N2CCOCC2)cc1 19662154 YIUVSPGMSVPQIQ-GOSISDBHSA-N 412.505 3.588 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1[N+](=O)[O-] 107785518 ZVVMWVQHELQTFG-DHDCSXOGSA-N 417.424 3.917 10 40 HHCB Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c(C)n1NC(=O)c1ccccc1 409217899 YITMFVYXHRZXIK-STZFKDTASA-N 414.465 3.582 10 40 HHCB O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C1\C(=O)NN(c2ccccc2)C1=O 409410309 UZMXZDZGECNJNL-AOAKWNDQSA-N 410.429 3.767 10 40 HHCB COc1ccc(N2CCN(C(=O)c3ccc(Cn4cc(Cl)cn4)cc3)CC2)cc1 27969665 IUNXYSRKJDSCGU-UHFFFAOYSA-N 410.905 3.556 10 40 HHCB Cc1ccc(-n2c(C)cc(C(=O)CN(C)S(=O)(=O)c3cccs3)c2C)cc1 13063311 FSEONTUWICSGBM-UHFFFAOYSA-N 402.541 3.967 10 40 HHCB COc1ccc2cc(/C=C3/SC(=S)N(c4ccccc4OC)C3=O)c(=O)[nH]c2c1 13692314 PCBHLBLOTNMEHH-VCHYOVAHSA-N 424.503 3.951 10 40 HHCB CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)NC1=S 408915534 XFMOIJVLXSLHGG-RIYZIHGNSA-N 421.305 3.829 10 40 HHCB COc1ccc(N2CCN(C(=O)c3snc(-c4cccc(F)c4)c3N)CC2)cc1 62007039 NKNXRDYRFQMNMN-UHFFFAOYSA-N 412.490 3.502 10 40 HHCB O=C1/C(=C/c2ccccc2)SC(=S)N1CN(CCO)c1ccccc1Cl 5338291 VEYIXFKTXJVQMG-ATVHPVEESA-N 404.944 3.998 10 40 HHCB CCOc1cc(/C=C2/SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)ccc1O 1243085 FESYXZABNCGZDN-YTBHAWNYSA-N 415.492 3.818 10 40 HHCB Cc1ccc(S(=O)(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1 1274286 WTIYEUWIVKZZSH-UHFFFAOYSA-N 401.443 3.856 10 40 HHCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(CC)C(=O)N=C3O)c2C)cc1 5947700 FPXPJLZMSVPVCC-LDADJPATSA-N 409.442 3.593 10 40 HHCB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)s1 8801636 GUZFGCYFCFWNQM-FQEVSTJZSA-N 419.616 3.554 10 40 HHCB CC(C)Cc1nnc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)s1 8820221 VRXHFBLITOFFSZ-YRNVUSSQSA-N 424.598 3.638 10 40 HHCB Cc1c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc2n1Cc1ccc(F)cc1 2313938 GJUBDVHKUJRJCH-UHFFFAOYSA-N 405.429 3.571 10 40 HHCB CCOc1ccc(N2C[C@@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2SCCC3)cc1 2965982 DJNKCQHILUVDDI-OAQYLSRUSA-N 421.489 3.857 10 40 HHCB CCN(CC)c1ccc(N/C=C2/C(=O)N=C(S)N(c3cccc(OC)c3)C2=O)cc1 102515260 CPCJZUZSRSQFIM-RGEXLXHISA-N 424.526 3.696 10 40 HHCB COc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)c2cccnc12 225422654 GBOQVNDFVHSPCI-UHFFFAOYSA-N 408.527 3.567 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(OC(C)C)c1 408805637 BFBMFEYNCAQDDO-YBFXNURJSA-N 408.454 3.766 10 40 HHCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)C(C(=O)OC)=C2C)cc1 409023875 LRRUUBDRBWMSMV-ZHZULCJRSA-N 421.449 3.749 10 40 HHCB O=C(c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21)N1CCOCC1 4329534 BOXDQYQHYPJUCU-WFXMLNOXSA-N 405.454 3.894 10 40 HHCB CCOCCCN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccc(OC)cc1 112288149 YTIXELMEMZNPRJ-PGMHBOJBSA-N 411.477 3.875 10 40 HHCB CCOc1ccc(/C=C2\C(=O)N(c3ccc(OC)c(OC)c3)C(C)=C2C(=O)OC)cc1 409073814 TWXKMJMTGBQOAL-UYRXBGFRSA-N 423.465 3.980 10 40 HHCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(C)[nH]c3ccccc23)C1=O 409234274 JURNJPVEYDSUOK-UDWIEESQSA-N 402.454 3.570 10 40 HHCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCc3ccccc3)C2=O)cc1 1181165 FFUUEUNJLVECFU-XDJHFCHBSA-N 410.564 3.945 10 40 HHCB COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)SC2=S)cc1 2916563 WSUWRGGDCJZGKT-APSNUPSMSA-N 416.436 3.738 10 40 HHCB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccc(N2CCCCCC2)cc1 12564961 REXIMCUCKCNBOV-UDFXALJUSA-N 403.526 3.519 10 40 HHCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] 409243923 YZXDQAXGFLVQSB-OAPZVAQESA-N 413.842 3.636 10 40 HHCB CN(C)c1ccc(CNC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccco3)nn2C)cc1 20503730 IROVNFTTXSLRAT-NNWRFLSQSA-N 419.573 3.714 10 40 HHCB biogenic,in-vitro CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccc(C(=O)O)cc1 101077953 LHBRTNJTFLVVGA-MHWRWJLKSA-N 400.232 3.866 10 40 HHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(F)cc1 223616530 WAWXVFKGGSGREK-YADHBBJMSA-N 424.545 3.983 10 40 HHCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)C1 260453048 DIMZHHPMQDTQSQ-DLBZAZTESA-N 415.559 3.785 10 40 HHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(Br)cc2)C1=O 408537469 FKMCENBDMFFOJS-RVDMUPIBSA-N 414.259 3.590 10 40 HHCB O=C(OCC(=O)c1c[nH]c2ccccc12)c1cccc2c1C(=O)c1ccccc1C2=O 8381911 AQLRZAJGSWAQCL-UHFFFAOYSA-N 409.397 3.983 10 40 HHCB COC(=O)c1ccc(/C=C2/SC(=S)N(CNc3cccc(F)c3)C2=O)cc1 4357428 PXYOWCDRLNBVQA-CXUHLZMHSA-N 402.472 3.883 10 40 HHCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc3cccnc23)SC1=S 9484522 MYAFUDZOIRCCLI-ODUNQGDFSA-N 404.538 3.642 10 40 HHCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(OC)ccc1OC 408770153 UCHUZNGQURDXQG-UYRXBGFRSA-N 409.438 3.590 10 40 HHCB COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4C)co3)CC2)cc1 56949861 ICFFVKNBKNNGMW-UHFFFAOYSA-N 420.509 3.858 10 40 HHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1F 223576057 VHYLRNMEOZWEPO-RTWAWAEBSA-N 410.518 3.593 10 40 HHCB O=C(O)c1ccc(N2C(=O)/C(=C/C3=Cc4ccccc4OC3)SC2=S)cc1O 16929387 SYBQUDYASGCIOQ-IUXPMGMMSA-N 411.460 3.815 10 40 HHCB O=C(N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O)OCC1c2ccccc2-c2ccccc21 2583003 NIJSCWCPASSJPI-FQEVSTJZSA-N 419.433 3.632 10 40 HHCB in-vitro Cc1ccc(OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c([N+](=O)[O-])n1 8824684 MUTVSULNECLZLE-UHFFFAOYSA-N 423.425 3.739 10 40 HHCB COc1ccc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(C)SC4=NC3=O)c2C)c1 9293324 LCWYYMBMSBOLKP-WBXVYAGQSA-N 423.498 3.750 10 40 HHCB COc1ccc2cc(/C=C3/SC(=S)N(c4ccc(O)cc4)C3=O)c(=O)[nH]c2c1 13729345 BXCOKTVVWWMZFS-RQZCQDPDSA-N 410.476 3.648 10 40 HHCB O=C(O)CN1C(=O)/C(=C\c2cccn2-c2cccc(C(F)(F)F)c2)SC1=S 408942218 WTMKRXFPKHPXPA-MDWZMJQESA-N 412.414 3.782 10 40 HHCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 6843257 MNJYFNDAYWEDJY-XNTDXEJSSA-N 404.900 3.895 10 40 HHCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(O)cc1 13539872 QZIHQVKQFANYTL-NDENLUEZSA-N 419.412 3.605 10 40 HHCB CN1CCc2cc([C@H](CNC(=O)c3cccc4ccccc34)N3CCOCC3)ccc21 22733485 VDSIZJBAXACNAQ-VWLOTQADSA-N 415.537 3.635 10 40 HHCB CCCCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1OC 13343588 LYRIVPRAGQILEK-VBKFSLOCSA-N 409.529 3.940 10 40 HHCB Cc1ccc(COc2ccccc2/C=C2\SC(N3CCN(C)CC3)=NC2=O)cc1 13547698 LCIBJRFUIKNPLN-QNGOZBTKSA-N 407.539 3.792 10 40 HHCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1O 13603261 HBMJIILFMSCLRY-NVNXTCNLSA-N 420.899 3.600 10 40 HHCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 16936653 ZIDCKZJEIMEKGX-LCFDYFRESA-N 400.319 3.904 10 40 HHCB Cc1noc2nc(C(C)C)cc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c12 19714741 AKUASWQOAGAHQG-HNNXBMFYSA-N 408.502 3.982 10 40 HHCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1 78800537 ABJZQDDZSBJFPY-RBBKRZOGSA-N 414.933 3.917 10 40 HHCB Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1NS(=O)(=O)c1ccccc1 224099204 IUWBQIRESMWOGW-UHFFFAOYSA-N 423.538 3.792 10 40 HHCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 408995556 AXJZMUHGGCIABM-JWGURIENSA-N 421.493 3.975 10 40 HHCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)cc1 1009669 UAPQBDMDGQDOQX-SFQUDFHCSA-N 414.508 3.631 10 40 HHCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc1 5373671 HJLYFFKICRPBSM-SXGWCWSVSA-N 401.465 3.895 10 40 HHCB CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C(C)C 6659167 UHAPWOFARKDSKF-UHFFFAOYSA-N 418.559 3.728 10 40 HHCB O=C1/C(=C\c2cccc(O)c2)SC(=S)N1/C=C/c1nc2ccccc2nc1O 8665117 YHEDFHPMMARWFA-WRFVMNGSSA-N 407.476 3.913 10 40 HHCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(Br)cc(Cl)c1O 58865564 MHFLEQNRTOALLX-UHFFFAOYSA-N 401.640 3.952 10 40 HHCB CCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 408879766 DBWNBTIYNCGPLF-VBKFSLOCSA-N 400.887 3.960 10 40 HHCB CCOc1cc2c(cc1/C=C1\SC(=S)N(CCCCC(=O)O)C1=O)O[C@@H](C)C2 6941085 DTKMHUMUPBUXCO-UEMWTREESA-N 421.540 3.865 10 40 HHCB COc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)N=C1O 16226480 VRTKTTDTYMFBPB-ZROIWOOFSA-N 401.762 3.764 10 40 HHCB COc1ccc(N2CCN(C[C@@H](O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1 20347315 QOILUQJKOKOYES-LJQANCHMSA-N 404.938 3.527 10 40 HHCB Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCN(Cc2cccs2)CC1 30909197 BOGNWDITCNOXPR-UHFFFAOYSA-N 412.584 3.585 10 40 HHCB COc1ccc2cc(/C=C3\SC(=S)N(c4cccc(O)c4)C3=O)c(=O)[nH]c2c1 102729752 ARCDSVKHPFJDIM-IUXPMGMMSA-N 410.476 3.648 10 40 HHCB COc1ccc(N2CCN(C(=O)COc3ccc4ccc(OC)cc4c3)CC2)cc1 5355533 XSQLYBCXQAVGHD-UHFFFAOYSA-N 406.482 3.585 10 40 HHCB C[C@@H]1CN(C2=NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)C[C@@H](C)O1 5720847 HXJAJCWVRXGKEG-QILGALRJSA-N 413.455 3.934 10 40 HHCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(Br)cc1 8430231 LRFJLOBRHNNIPH-ZROIWOOFSA-N 420.650 3.681 10 40 HHCB CCOc1ccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1 5373661 QNPLUVKIXIEELT-XIDKLXSXSA-N 413.520 3.982 10 40 HHCB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S 54361178 YJZNTHIWVCUTIH-RNIVLKNTSA-N 407.476 3.657 10 40 HHCB CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 101997222 DGHHDANZEPTKRU-DNVJHFABSA-N 413.477 3.804 10 40 HHCB CN(C)c1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 113937605 MHYSVVSRQCKTEK-UHFFFAOYSA-N 423.538 3.508 10 40 HHCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccncc3)c2C)C(=O)NC1=S 409245498 USEVIBRSYWLXIO-CPNJWEJPSA-N 416.506 3.629 10 40 HHCB COc1ccc(-n2c(C)cc(C(=O)Cn3c(NCCO)nc4ccccc43)c2C)cc1 4005192 RDMBKZXCAGHFKP-UHFFFAOYSA-N 418.497 3.740 10 40 HHCB COc1ccc(N2CCN([C@@H](CNC(=O)c3cccc(C)c3)c3ccco3)CC2)cc1 56946266 NDPAAYQENQGMBT-QHCPKHFHSA-N 419.525 3.890 10 40 HHCB COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 57378543 VBVZXZRNRLAZNW-OAHLLOKOSA-N 407.436 3.863 10 40 HHCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c1OC(C)C 409010122 DMJWEVRRJWHLAB-LDADJPATSA-N 424.522 3.931 10 40 HHCB COc1ccc2[nH]cc(/C=C3\SC(=S)N([C@@H](CCSC)C(=O)O)C3=O)c2c1 9576477 DFIBZFBWXLUPLY-FQNPWXFGSA-N 422.553 3.584 10 40 HHCB O=[N+]([O-])c1ccc(N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c([N+](=O)[O-])c1 84351276 PYQPPBKMSXWEBW-CQSZACIVSA-N 406.826 3.939 10 40 HHCB CC[C@H](C)[C@H](NCc1c(O)ccc2c(C)c(Cc3ccccc3)c(=O)oc12)C(=O)O 98038079 CNAPTTTXPWTFMW-QKKBWIMNSA-N 409.482 3.987 10 40 HHCB COc1ccc(N(C(C)=O)c2nc(/C=C3/SC(=S)N(C)C3=O)cs2)cc1 96935928 XQBMLCMGGSDIAM-RIYZIHGNSA-N 405.526 3.667 10 40 HHCB O=C(c1cccnc1)N1CCCCCCCNCc2cc(N3CCOCC3)ccc21 2037928535 LKSRWEOWXHEWBO-UHFFFAOYSA-N 408.546 3.619 10 40 HHCB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCC2 4611980 LWEQYPUQHXGNHP-KNPMLCFXSA-N 403.500 3.655 10 40 HHCB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(N(C)C)cc2)n2ncnc2N1 4684763 MJIGJULTTKHJGT-NRFANRHFSA-N 402.502 3.889 10 40 HHCB COc1cc(/C=C2\SC(=S)N(Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 5024919 KIRXWYRUEVSFTD-DHDCSXOGSA-N 403.441 3.537 10 40 HHCB CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 5374214 BHTVPEDOELWNEW-HQQGHWSLSA-N 400.319 3.904 10 40 HHCB CC(C)c1ccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2C3=O)cc1 8236218 UCVSOCMRUFMNOS-UHFFFAOYSA-N 411.461 3.634 10 40 HHCB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C)C2=O)cc1 26771343 OJZOFWQRAOCNBS-RVDMUPIBSA-N 409.492 3.626 10 40 HHCB COC(=O)C1=CN(c2cc(C)c(Cl)cc2OC)c2cc(F)ccc2S1(=O)=O 64979217 BCIMZGTYIHVLND-UHFFFAOYSA-N 411.838 3.736 10 40 HHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 223673014 HVMXVWKLFQESLA-FCHUYYIVSA-N 420.538 3.716 10 40 HHCB Cc1cc(O)c(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1C(C)C 25719637 GQQNXYGXDOZDAB-NTEUORMPSA-N 414.571 3.942 10 40 HHCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O 2144258 ZVOMUWSYGDZECZ-VXLYETTFSA-N 414.483 3.896 10 40 HHCB COc1cc(OC)c(OC)cc1/C=C1\C(=O)N(c2cc(C)ccc2C)C(=O)N=C1O 21670047 FURPUYSHUNCDNS-DHDCSXOGSA-N 410.426 3.836 10 40 HHCB CCOc1ccc(N2C[C@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2SCCC3)cc1 2965980 DJNKCQHILUVDDI-NRFANRHFSA-N 421.489 3.857 10 40 HHCB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3C)o2)C1=O 981428 WAHMXQPZUFFUBT-SXGWCWSVSA-N 415.423 3.553 10 40 HHCB Cc1cc(C(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c(C)n1-c1ccccc1F 3414061 JLBSTZTWGZMMHJ-HXUWFJFHSA-N 419.456 3.579 10 40 HHCB CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 7245109 PSESJPSSURBOHK-JOCHJYFZSA-N 423.557 3.709 10 40 HHCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COc2cccc(Cl)c2)cc1 8846132 IQQAXHSLBRTFMN-NRFANRHFSA-N 402.922 3.993 10 40 HHCB Cc1cc2nc(C3CCN(Cc4cc(C)n(-c5ccccn5)c4C)CC3)cc(N)n2n1 12088798 WGVVRNHHFSLRLZ-UHFFFAOYSA-N 415.545 3.802 10 40 HHCB CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1OC 33699000 DXYYQAJAUHWQKV-PBJWJZLWSA-N 415.920 3.812 10 40 HHCB COC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCCCC2 35898112 ZJKRRHWEUHXNHV-KNPMLCFXSA-N 403.500 3.655 10 40 HHCB COc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(Br)c3)nn2)cc1 216767703 XSPHXDKJBVUHJO-LJQANCHMSA-N 415.291 3.633 10 40 HHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccc(OC)cc1 223033388 XVSXWYYOBXQFDA-VXKWHMMOSA-N 422.554 3.808 10 40 HHCB CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@@H](C)C2 225752602 CJMKMKWRGVGPJV-XRQSXFTLSA-N 417.527 3.900 10 40 HHCB O=C1NC(=S)NC(=O)C1=Cc1c(OCc2cccc(Cl)c2)ccc2ccccc12 408867669 JMLZNBPQMIYTIK-UHFFFAOYSA-N 422.893 3.987 10 40 HHCB O=C(O)CN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)SC1=S 59192217 DTLUVQLYNHXORG-VCHYOVAHSA-N 408.504 3.975 10 40 HHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C 223016995 RGVLXJWGORLHGT-VXKWHMMOSA-N 421.570 3.811 10 40 HHCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 408892193 HBYCXZXWRZRKLY-STZFKDTASA-N 406.482 3.634 10 40 HHCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\NC(=O)N(Cc2ccc(C)cc2)C1=O 409102587 DLRQJDYLPZOORQ-UNOMPAQXSA-N 421.497 3.705 10 40 HHCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(Br)s3)C(=O)NC2=S)c1 409240619 HERMYCVOKXBMDD-XYOKQWHBSA-N 421.341 3.959 10 40 HHCB C[C@@]12CC(=O)N[C@H]1N(C(=O)c1cccc(C(F)(F)F)c1)[C@H](c1ccccc1O)C2 4108708 DOQSYCNJTJREJJ-RYGJVYDSSA-N 404.388 3.851 10 40 HHCB Cc1cc(N2C(=O)NC(=O)/C(=C\C=C\c3ccccc3)C2=O)ccc1Br 408758276 ICOFPKFIJKUOKB-ZCPHBQKFSA-N 411.255 3.980 10 40 HHCB COc1cc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OC 5747047 WZSDQZYQCCYWGC-MLPAPPSSSA-N 407.253 3.780 10 40 HHCB COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OC(C)(C)C 35109026 SIEYNHNLICOJOO-WJDWOHSUSA-N 400.862 3.987 10 40 HHCB O=S(=O)(c1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)cc1)N1CCOCC1 4680642 JAMOBUYVLGRRHV-LQWHRVPQSA-N 414.502 3.673 10 40 HHCB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)s1 8801637 GUZFGCYFCFWNQM-HXUWFJFHSA-N 419.616 3.554 10 40 HHCB CCOc1c(Cl)cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OC 12608331 QLRKTABOZUMANP-UHFFFAOYSA-N 418.921 3.856 10 40 HHCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1 33645451 WMYCTGUJWOSQFR-XNTDXEJSSA-N 404.900 3.895 10 40 HHCB Cc1cc(C(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c(C)n1-c1ccccc1F 3414064 JLBSTZTWGZMMHJ-FQEVSTJZSA-N 419.456 3.579 10 40 HHCB O=C1/C(=C\c2cc(Br)ccc2O)C(O)=NC(=S)N1c1ccccc1 34221942 AAQODDFPUDPRRB-LCYFTJDESA-N 403.257 3.826 10 40 HHCB O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 57416557 OVNMTLBRSKJATR-MRXNPFEDSA-N 415.896 3.749 10 40 HHCB Cc1cccc(-n2c(C)cc(C(=O)N3CCOC[C@H]3C[C@H](O)c3ccco3)c2C)c1 84213253 RIANNMQXOOMHFC-IRLDBZIGSA-N 408.498 3.960 10 40 HHCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(Cc2ccccc2F)cc1 408882850 OKPWHHPKLIGTJO-XSFVSMFZSA-N 416.408 3.789 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)cc1C 408960414 LMXWLJNQKYBZFS-KGENOOAVSA-N 403.482 3.878 10 40 HHCB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 409015742 DXAKNFHAJAFBDH-MOSHPQCFSA-N 405.450 3.967 10 40 HHCB CC(=O)c1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 12557765 JLRCBILKSGGTSO-QHCPKHFHSA-N 410.514 3.542 10 40 HHCB COc1cccc(OCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)c1 13940825 ALMGFPWKVNVIDV-LDADJPATSA-N 401.509 3.984 10 40 HHCB NC(=O)Cn1cc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)c2ccccc21 35387500 JZIVAMUAOFQALL-MFOYZWKCSA-N 410.886 3.862 10 40 HHCB CN(C)c1ccc(CNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)cc1 12607315 JBNMZBBXRYIOPP-UHFFFAOYSA-N 404.514 3.509 10 40 HHCB CCOC(=O)c1ccc(OCC(=O)c2ccc(O)c(CN3CCCCC3)c2O)cc1 23135315 XTRKIDSBXLGHKY-UHFFFAOYSA-N 413.470 3.522 10 40 HHCB biogenic Cc1cc(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c(C)n1-c1ccccc1F 48252367 LIFHLLLZLSGQNT-UHFFFAOYSA-N 419.412 3.509 10 40 HHCB COC(=O)C1=CN(c2ccc(OC(F)(F)F)cc2)c2cc(F)ccc2S1(=O)=O 64979219 FPEUXEQMAOKJMI-UHFFFAOYSA-N 417.336 3.664 10 40 HHCB CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3cc([N+](=O)[O-])ccc3OC)C2=O)cc1 1054950 YJNHITFVHVEREJ-LFIBNONCSA-N 411.370 3.509 10 40 HHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1Br 1213681 HGVPEOOKAQMSQV-LCYFTJDESA-N 405.635 3.769 10 40 HHCB CCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2C)c2cc(Br)ccc21 4146289 UVMIZIUMXKCDGQ-PTNGSMBKSA-N 410.271 3.603 10 40 HHCB Cc1cc(C(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)c(C)n1-c1ccc(Cl)cc1 7238841 SCCDPXKBPQVVSG-SFHVURJKSA-N 401.894 3.897 10 40 HHCB COc1cc(C[C@@H]2SC(=S)N(CCc3ccccc3)C2=O)cc(OC)c1OC 8110480 KCMGNCZSHRFSFK-SFHVURJKSA-N 417.552 3.727 10 40 HHCB Cc1ccc(C)n1-c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 40158054 SFTQLTGGVUCCSA-HXUWFJFHSA-N 405.498 3.856 10 40 HHCB CNC(=O)CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccco1 44086234 GCCVVCSQPZNWGM-UHFFFAOYSA-N 406.305 3.792 10 40 HHCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1cccc(Cl)c1Cl 59109608 YUHLLXAFJVFSLD-UHFFFAOYSA-N 406.269 3.835 10 40 HHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/NC1=CC=C[C@H]2C(=O)c3ccccc3C(=O)[C@@H]12 95470868 IRGZZJWBKWVKPF-LFHWXDKUSA-N 423.472 3.956 10 40 HHCB Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)c1 409394152 WOCXZUPFEOUMDA-FYJGNVAPSA-N 414.465 3.772 10 40 HHCB COC(=O)c1ccc([C@@H](c2c(O)ccc3ccc(OC)cc23)N2CCOCC2)cc1 25573268 LOZKNCITSXWWFA-QHCPKHFHSA-N 407.466 3.762 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1Cl 6215575 CDOVPJMXCLCMMR-OQLLNIDSSA-N 400.887 3.797 10 40 HHCB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(Cl)cc1OC(C)C 2798981 MRYKLJBUCQTZPV-MKMNVTDBSA-N 415.920 3.812 10 40 HHCB COc1ccc(N2CCN(c3ncnc4c5cc(OC)ccc5n(C)c34)C[C@H]2C)cc1 5516523 ZBPSKDUKVXDJFZ-MRXNPFEDSA-N 417.513 3.854 10 40 HHCB Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@H](c2ccc4c(c2)OCO4)C1)CCCC3 12297043 JCHCHMVVCHQLIH-INIZCTEOSA-N 418.449 3.853 10 40 HHCB biogenic Cc1cc(/C=C2\C(=O)N(C)C(=S)N=C2O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 16268300 PPBFKXWXYVMANR-AUWJEWJLSA-N 417.874 3.543 10 40 HHCB CCOc1ccc(-c2ccc(/C=C3/C(=N)N4N=CSC4=NC3=O)o2)c([N+](=O)[O-])c1 41076633 AIJDQLNLTKCEGY-YHQBCCDLSA-N 411.399 3.502 10 40 HHCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223623182 BNKSCVXQUWZORU-NHCUHLMSSA-N 421.570 3.547 10 40 HHCB Cc1ccccc1-n1c(C)cc(C(=O)CN2C=Nc3ccccc3S2(=O)=O)c1C 58358199 XWPFZBDPHAHBCZ-UHFFFAOYSA-N 407.495 3.950 10 40 HHCB Cc1ccc(N2NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4O)o3)C2=O)cc1C 33290941 JKFICPIMSFBOJJ-WOJGMQOQSA-N 419.393 3.639 10 40 HHCB Cc1ccc(Cn2cccc2/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1 41085135 QHLDLSVOSBRPSV-JJEZRMFNSA-N 418.526 3.517 10 40 HHCB CCc1ccc(N2C(=O)/C(=C/c3ccc(N(CC)CC)cc3)C(=O)NC2=S)cc1 6351038 ULPKBJFQCGULFL-HMMYKYKNSA-N 407.539 3.927 10 40 HHCB CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCC2 4614284 RLSOPXMBRGJTNT-KOZAUXTDSA-N 405.516 3.878 10 40 HHCB CCOc1ccc(NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 2590102 YPENKMQBEUKQAL-GDNBJRDFSA-N 404.538 3.987 10 40 HHCB Cc1cc(C(=O)COC(=O)CNC(=O)C2CCCCC2)c(C)n1-c1ccccc1F 6365437 XPATZIFIWSKKIG-UHFFFAOYSA-N 414.477 3.656 10 40 HHCB Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(F)cc2)C(=O)NC1=S 6791217 GBJGJANJUQTIGA-ZROIWOOFSA-N 419.275 3.728 10 40 HHCB CNc1cc(CN(C)Cc2ccc(N3CCC[C@@H](C)C3)cc2)nc(C2CCNCC2)n1 19710171 CTEDQVUKKCHDEV-LJQANCHMSA-N 422.621 3.854 10 40 HHCB CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CC[C@H](C)C2 102332568 CJMKMKWRGVGPJV-HLNSEHPISA-N 417.527 3.900 10 40 HHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1F 223576152 VHYLRNMEOZWEPO-SFTDATJTSA-N 410.518 3.593 10 40 HHCB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 408900092 RLZHNSBNUCNVOP-KGENOOAVSA-N 415.449 3.769 10 40 HHCB CCCN1C(=O)/C(=C/c2cc(Br)c(OCC)cc2OCC)NC1=S 3667709 MWXJTFBXKKBEDC-LCYFTJDESA-N 413.337 3.714 10 40 HHCB O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)NCCCCc3ccccc3)ccc21 4091488 NKLUETGFUZBUNQ-UHFFFAOYSA-N 419.502 3.763 10 40 HHCB biogenic COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)c1 32707951 VXWSJVBUVZMLEU-LZYBPNLTSA-N 417.464 3.513 10 40 HHCB CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N(c2ccccc2)C1=O 59138861 WMVIHJAXCNWYMR-AQTBWJFISA-N 417.377 3.863 10 40 HHCB CCN1C(=O)/C(=C\c2cc(I)cc(C)c2O)SC1=S 113831088 KFHHUANHZOPUER-UXBLZVDNSA-N 405.282 3.526 10 40 HHCB COc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)cc1 216767814 YABYOBAQVNGURK-LJQANCHMSA-N 404.392 3.889 10 40 HHCB COc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCOCC1 222608345 BIESKFCOZOJWPW-RVHYNSKXSA-N 410.543 3.516 10 40 HHCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(C(=O)O)cc1 408850593 OUMFFJKQPRKASX-DHZHZOJOSA-N 421.261 3.523 10 40 HHCB CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1OC 408883683 VKJAIOUKCVVJGH-LGMDPLHJSA-N 408.454 3.713 10 40 HHCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1 5373678 LQPZOOHTYWBVJP-SXGWCWSVSA-N 401.465 3.895 10 40 HHCB COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc(OC)c1O 8969450 BBMQKMLORDHKQF-NTUHNPAUSA-N 402.790 3.570 10 40 HHCB COc1ccc(N2C(=O)N=C(O)/C(=C/c3cc4c5c(c3)CCCN5CCC4)C2=O)cc1 9477832 XXJNFMPULMCXBX-ZHZULCJRSA-N 417.465 3.901 10 40 HHCB Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C(=O)O)cc1 13136575 WBRNYUCRCLWKMP-UDWIEESQSA-N 415.474 3.563 10 40 HHCB O=C1/C(=C/c2c(Cl)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 13590956 JHANVEVACCFEHT-UVTDQMKNSA-N 413.911 3.749 10 40 HHCB O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(Br)o2)SC1=S 14671673 VDXJBYIOXSDEMF-NTMALXAHSA-N 404.307 3.888 10 40 HHCB CCc1nnc(NS(=O)(=O)c2ccc(NCc3cc(Cl)ccc3O)cc2)s1 17198063 CKBPEGMSXFINPZ-UHFFFAOYSA-N 424.935 3.872 10 40 HHCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 59435669 OVIFCSOBKKSRKK-WQRHYEAKSA-N 423.465 3.585 10 40 HHCB COc1ccc(C)cc1NS(=O)(=O)C1=CC=C[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]12 96319586 UYUSBWDDRMSMIY-OXJNMPFZSA-N 409.463 3.511 10 40 HHCB CCCN1C(=O)/C(=C\c2ccc(OC)c(C)c2OC)C(=O)N(c2ccccc2)C1=S 409021293 AFSMTDCTMQSHEX-NBVRZTHBSA-N 424.522 3.966 10 40 HHCB COc1ccc(N/C=C2\C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 5941004 TYLAJBPDXWUYAF-OQLLNIDSSA-N 422.293 3.746 10 40 HHCB CN(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccccc2[N+](=O)[O-])cc1 8846278 LFGGQMBUQMPKKV-UHFFFAOYSA-N 409.442 3.862 10 40 HHCB CC[C@H](C)c1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 12554926 NOQQQGHZYCLFHO-SFHVURJKSA-N 402.560 3.857 10 40 HHCB COC(=O)c1ccc(Oc2c(C)oc3c(CN4CCCC4)c(O)ccc3c2=O)cc1 20412349 XUAZQURTRMZSAK-UHFFFAOYSA-N 409.438 3.982 10 40 HHCB biogenic CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccc(N)c([N+](=O)[O-])c1 101077950 JXEXFOISPQKGBW-NTEUORMPSA-N 416.235 3.658 10 40 HHCB COc1ccccc1OCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C 112289461 ZUNMKSWGCRQSPK-ZHZULCJRSA-N 422.510 3.970 10 40 HHCB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)c(C)c1 409371378 CGWAZQSTYKFIRT-RQZCQDPDSA-N 412.467 3.698 10 40 HHCB Cc1cc(N)ccc1/N=N/c1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1 4707344 XXZDPVOWJBCNQC-FMQUCBEESA-N 421.456 3.639 10 40 HHCB in-vivo Cc1cccc(N2C(=O)/C(=C/NN3CCCC[C@@H]3c3cccnc3)C(O)=NC2=S)c1 6898273 IHVQZUIHIRKOCA-YWXUCKCNSA-N 421.526 3.594 10 40 HHCB Cc1cc(C(=O)CSc2nnnn2Cc2cccs2)c(C)n1-c1ccccn1 8541859 GQPVCHXIZDQVMA-UHFFFAOYSA-N 410.528 3.560 10 40 HHCB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S 13689812 MSWWHXLVKDCHBE-BOFQVRIASA-N 421.503 3.527 10 40 HHCB Cc1cc(O[C@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc(C)c1Cl 216946448 FEYJOVOXPNJEKF-GOSISDBHSA-N 415.965 3.792 10 40 HHCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/Nc1ccccc1Br 408536589 WTMRNSQFQNDFOL-MDZDMXLPSA-N 420.650 3.681 10 40 HHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)o1 409242999 UDLWJEARYZMMKV-ACCUITESSA-N 403.891 3.611 10 40 HHCB CCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 4263417 NABJGUILWRWDGT-VBKFSLOCSA-N 409.529 3.638 10 40 HHCB COc1ccc(CCN2C(=O)/C(=C\Nc3cccc(O)c3)SC2=S)cc1OC 9423364 FXOOVKJYUNGIHM-LDADJPATSA-N 416.524 3.766 10 40 HHCB Cc1ccc(-n2nc(C)c(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)c2C)cc1C 408757893 RSPOLSKOQSVPRH-BKUYFWCQSA-N 414.465 3.772 10 40 HHCB COc1ccc(N2CCN(C(=O)c3snc(-c4ccc(C)cc4)c3N)CC2)cc1 62007075 WJKSLQSVOMHJNJ-UHFFFAOYSA-N 408.527 3.672 10 40 HHCB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(O)c(CN(C)C)c4)OCC[C@@]31C2 257263813 LROYTSDTCOQHDP-OPCLUDPOSA-N 400.563 3.862 10 40 HHCB CCOc1ccc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 20057695 LMLCXGUMHVTMFU-LTGZKZEYSA-N 407.539 3.873 10 40 HHCB CC(C)N1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O 4171771 JRJLYCYGHKJFHH-UFYCRDLUSA-N 413.905 3.661 10 40 HHCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3ccccc3oc2=O)cc1 6747966 IYQSZDKDHRJZMV-FQEVSTJZSA-N 406.482 3.680 10 40 HHCB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S 54361135 MSWWHXLVKDCHBE-ZCWPUFOUSA-N 421.503 3.527 10 40 HHCB COc1ccc(N2CCN(CC(=O)Nc3ccc(C)c(Br)c3)CC2)cc1 57720149 IHLZYCHTHZZMMJ-UHFFFAOYSA-N 418.335 3.527 10 40 HHCB COc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1Br 409138215 YWONNCGVAHOJLI-GDNBJRDFSA-N 417.284 3.858 10 40 HHCB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)N2CCCC2)cc1 6517568 FJKKGIYVDZUNMO-GPXOXTDOSA-N 413.606 3.823 10 40 HHCB biogenic COc1ccc(-n2c(C)cc(C(=O)CN3CCN(c4ccccn4)CC3)c2C)cc1 6832040 VMGXRHYMNMRNQL-UHFFFAOYSA-N 404.514 3.503 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(OCC(=O)O)c3)SC2=S)c(C)c1 9188612 FFDLAUOYKGCGNE-MFOYZWKCSA-N 415.492 3.878 10 40 HHCB COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3O)=NN2)c(OC)c1 12389942 IUFOXFHKKNKDGZ-MRXNPFEDSA-N 408.454 3.880 10 40 HHCB Cc1ccc(OCCOc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2)cc1 13810189 ROEXFZAJBJTTKN-QJOMJCCJSA-N 414.461 3.914 10 40 HHCB COc1ccc(N2CCN(C[C@@H](O)COc3ccc(-c4ccccc4)cc3)CC2)cc1 19909303 XBHJRCVZFYGKFD-XMMPIXPASA-N 418.537 3.924 10 40 HHCB COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c(OC)c1 35041467 XHBMYDLYVCQDSG-CAOOACKPSA-N 401.465 3.838 10 40 HHCB O=C1N=C(O)/C(=C\NCCc2c[nH]c3ccccc23)C(=O)N1CCC1=CCCCC1 103108225 AGEJJTDULHHQCM-XDJHFCHBSA-N 406.486 3.993 10 40 HHCB C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)cc2)C1 219243422 TUYTTZRJAFBBAT-OAQYLSRUSA-N 420.601 3.600 10 40 HHCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\NNc3cccc4ccccc34)C2=O)c(C)c1 408534944 WWZGMIPSQBEEFB-CPNJWEJPSA-N 414.465 3.848 10 40 HHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)ccc1OC(C)C 409146410 TZPWXWQMDCAWCC-GZTJUZNOSA-N 424.522 3.931 10 40 HHCB CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC)c(Cl)c3)C2=O)c1 4704506 QJJBJUWZMXMIQK-YBEGLDIGSA-N 414.845 3.804 10 40 HHCB CCCCN1C(=O)NC(=O)/C(=C/c2ccc3c(c2)CCCN3Cc2ccccc2)C1=O 5866777 WSIMACRLKNRRHT-PGMHBOJBSA-N 417.509 3.901 10 40 HHCB COc1cc(Br)c(C[C@@H]2SC(=S)N(CC(C)C)C2=O)cc1OC 6326096 JBIYMRLLJXLEKU-AWEZNQCLSA-N 418.378 3.894 10 40 HHCB O=C(COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)Nc1ccc(Cl)cn1 9983593 XOAGONXNHUCTGW-UHFFFAOYSA-N 422.824 3.596 10 40 HHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(F)cc1 223576563 UNNGWJHUOLWCNV-SFTDATJTSA-N 410.518 3.593 10 40 HHCB CC1(C)OC(=O)C(=CNc2nc(-c3ccc(Br)cc3)cs2)C(=O)O1 2543400 YYUBEDOGQDAMOD-UHFFFAOYSA-N 409.261 3.705 10 40 HHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(F)c(N4CCCC4)cc3C)C2=O)c1 6547223 QCCCVKZHGBWYHQ-LDADJPATSA-N 407.445 3.709 10 40 HHCB COc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccc(Cl)cc2)C1=O 16226491 JWLDVUVZOBYSAF-ZROIWOOFSA-N 407.651 3.573 10 40 HHCB Cc1ccc2nc(C)cc(OCC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c2c1 19661043 BMDVCFKGXZEEFQ-LJQANCHMSA-N 419.525 3.944 10 40 HHCB CCN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccc(OC)cc4)c(C)oc23)CC1 20358296 FCBOIKIULWHHQU-UHFFFAOYSA-N 408.498 3.620 10 40 HHCB biogenic CCOC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc1 112287877 BHSNFJYHBARZJT-UYRXBGFRSA-N 408.414 3.880 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)ccc1OC 409238466 DKTDKCHSKCYKTD-JLHYYAGUSA-N 416.886 3.579 10 40 HHCB COc1ccc(N2CCN(C(=O)/C=C/c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 107722256 BROZHOCTLVGGJY-RUDMXATFSA-N 401.850 3.619 10 40 HHCB CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 100799180 DGHHDANZEPTKRU-VABKMULXSA-N 413.477 3.804 10 40 HHCB CCOc1ccc(-c2nc3s/c(=C/c4ccc(N(CC)CC)cc4)c(=O)n3n2)cc1 6710798 IIEQZJKUWVOMHS-HMMYKYKNSA-N 420.538 3.611 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/C=C/c3ccc(N(C)C)cc3)C(=O)NC2=S)c(C)c1 409125814 ADBRVZGBUQKWLA-LBAFEDMOSA-N 405.523 3.757 10 40 HHCB COC(=O)c1ccc(Cl)c(NC(=S)NCCN(C)c2ccc(OC)cc2)c1 225798621 FOCZRQYBFPKFEG-UHFFFAOYSA-N 407.923 3.558 10 40 HHCB Cc1[nH]c2ccccc2c1/C=C1/C(=N)N2N=C(N3CCC(C)CC3)SC2=NC1=O 41084608 STGLCWQKNDSQCA-HLLBZCHMSA-N 406.515 3.785 10 40 HHCB Cc1cc2ncn(CCC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2cc1C 19661153 MUTLAWCTXAMSRO-IBGZPJMESA-N 406.530 3.757 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3)C2=O)cc1OC 16693375 UEDWMFYIMIHCFY-BOPFTXTBSA-N 414.508 3.544 10 40 HHCB Cc1cc(N)ccc1/N=N/c1cc2ccc(S(=O)(=O)O)cc2cc1S(=O)(=O)O 4821656 NQWNQOXOVDNBIR-FMQUCBEESA-N 421.456 3.639 10 40 HHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cn(C(C)=O)c3ccccc23)C1=O 5903422 JHSGRCKZLLZTCK-PDGQHHTCSA-N 401.422 3.530 10 40 HHCB CN(C)c1ccc(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc3c(c2)CCC3)cc1 8026864 FVGOOPXPHUJBLP-JOCHJYFZSA-N 414.571 3.611 10 40 HHCB CCCCCOc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1OC 12419870 XJFZYIFEKWGTPS-VBKFSLOCSA-N 409.529 3.940 10 40 HHCB biogenic Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cc(Cl)ccc1Cl 59139673 ARHVGVYFGKJPGR-UHFFFAOYSA-N 422.337 4.000 10 40 HHCB Cc1[nH]c2ccccc2c1/C=C1\C(=N)N2N=C(c3ccc(O)cc3)SC2=NC1=O 49735584 TZEBGIASPHVKPC-WZBMNHFVSA-N 401.451 3.849 10 40 HHCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1 409243472 YYMJGQZBVKLBKN-XMHGGMMESA-N 401.491 3.925 10 40 HHCB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 225838983 QHAFHSAUQNOYKW-INIZCTEOSA-N 413.543 3.748 10 40 HHCB CCOc1ccccc1/C=C1\C(=O)N(c2ccc(C(=O)OC)cc2)C(C)=C1C(=O)OC 6355758 MXLIBALEEUNCJA-RGEXLXHISA-N 421.449 3.749 10 40 HHCB Cc1cccc(C(=O)N[C@H](C)C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)c1 13062744 QRRRLMCSSZIXDR-GOSISDBHSA-N 418.493 3.947 10 40 HHCB CCN(CC)c1ccc(CNS(=O)(=O)Cc2ccc(Br)cc2)cc1 223436910 DFLHYORZGRYOBY-UHFFFAOYSA-N 411.365 3.915 10 40 HHCB Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223623340 BNKSCVXQUWZORU-SFTDATJTSA-N 421.570 3.547 10 40 HHCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Cl)cc1Cl 409214441 XLEPHVKPGMQPPN-AWNIVKPZSA-N 406.181 3.568 10 40 HHCB COc1ccc(N2CCN(C(=O)CSc3ccc(Br)cc3)CC2)cc1 3524999 XTJWYHCJQLFFMM-UHFFFAOYSA-N 421.360 3.899 10 40 HHCB CC(/C=C1\SC(=S)N(CC(=O)Nc2nnc(C)s2)C1=O)=C\c1ccccc1 12273936 ZGPBKRXNGAFEPZ-GZESYCOQSA-N 416.553 3.633 10 40 HHCB Cc1ccccc1-n1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c1C 44030678 RQVGJEDYNUZCGM-HSZRJFAPSA-N 405.454 3.645 10 40 HHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OC 408799993 MMERGJFQRDQCPL-SDNWHVSQSA-N 414.845 3.804 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)cc3)C2=O)cc1Cl 409200235 HREGGMXRQORZCU-LDADJPATSA-N 409.873 3.915 10 40 HHCB CCSCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(N(CC)CC)cc1 5003532 NARUAPWPTUUYLX-SFHVURJKSA-N 407.605 3.622 10 40 HHCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C[C@H]2OC(=O)c3ccccc32)cc1 8405565 WDKPHAMLUJZRCC-SIKLNZKXSA-N 408.498 3.562 10 40 HHCB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 14415059 GBZSLEHDXDTOOT-HKWRFOASSA-N 406.438 3.900 10 40 HHCB CCN(CC)[C@@H](CNC(=O)CSc1ncc(-c2ccccc2)n1C)c1ccco1 24975918 LDRBQCPCZKSVOJ-IBGZPJMESA-N 412.559 3.972 10 40 HHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(O)c1 408844052 IERWBXGCQSAXFL-XDHOZWIPSA-N 407.470 3.522 10 40 HHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(F)cc1 223576429 UNNGWJHUOLWCNV-NHCUHLMSSA-N 410.518 3.593 10 40 HHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1 13371864 YCUCBQRCBWEOOW-DEDYPNTBSA-N 403.413 3.900 10 40 HHCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3)C2=O)cc1OC 27530593 UEDWMFYIMIHCFY-GZTJUZNOSA-N 414.508 3.544 10 40 HHCB Cc1cc(/C=C2\NC(=O)N=C2O)c(C)n1-c1cccc(I)c1 33436481 IQBDEQCLKVOAGP-AUWJEWJLSA-N 407.211 3.719 10 40 HHCB COC(=O)C[C@H](c1ccco1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96222124 IWNCCTVWGNOEGA-CYBMUJFWSA-N 422.389 3.865 10 40 HHCB biogenic COc1ccc(C2(Nc3cc([N+](=O)[O-])ccc3OC)C(=O)c3ccccc3C2=O)cc1 16216411 OKPCQXHNOKXKGD-UHFFFAOYSA-N 418.405 3.999 10 40 HHCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1cc(=O)n2ccccc2n1 19357531 OPZHTVIJBDWFOA-UHFFFAOYSA-N 420.494 3.641 10 40 HHCB COC(=O)Cc1c(C)c2ccc(O)c(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2oc1=O 85877159 FMZMZERQRMDNSC-OWJWWREXSA-N 413.514 3.923 10 40 HHCB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 219036891 SMCLVJVFOOZGAR-LJQANCHMSA-N 403.526 3.675 10 40 HHCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O 409014925 QTKRUYRLPYPRDV-XWAFYUISSA-N 414.483 3.788 10 40 HHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccccn3)c2C)C1=O 409241405 XHCPUYDNVLMHHX-XMHGGMMESA-N 414.465 3.718 10 40 HHCB O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1cccnc1 4746840 YUENJMGEMIWUDM-WJDWOHSUSA-N 401.488 3.841 10 40 HHCB CCOc1ccc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(C)=C2C(=O)OC)cc1OC 6964051 RPYVQZXLNKYBNX-UYRXBGFRSA-N 423.465 3.980 10 40 HHCB CCN(CC)c1ccc(/C=c2\sc3nnc(-c4ccc(Cl)cc4)n3c2=O)cc1 13838465 OEMMHLAJXHYNOU-AQTBWJFISA-N 410.930 3.865 10 40 HHCB COc1ccc(N2CCN(CC(=O)Nc3ccc(N4CCCCCC4)cc3)CC2)cc1 58172426 VECUZRMZYHRBSQ-UHFFFAOYSA-N 422.573 3.836 10 40 HHCB Cn1c(=O)n(C)c2cc(/C=C3\SC(=S)N(c4cccc(Cl)c4)C3=O)ccc21 409341776 CADZZSLVKGNHES-SXGWCWSVSA-N 415.927 3.936 10 40 HHCB CCCN1C(=O)/C(=C\c2ccc(O)c(I)c2)SC1=S 4629061 IOIHOEOKZZGQFS-YRNVUSSQSA-N 405.282 3.608 10 40 HHCB O=C1N=C(N2CCOCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccs1 27016974 SHGAJLFHMJUABG-AQTBWJFISA-N 422.535 3.903 10 40 HHCB CC[C@@H](C)Oc1c(Cl)cc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)cc1OC 108131946 FCRUPUFFJJVBRH-GFCCVEGCSA-N 424.950 3.905 10 40 HHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)cc2OC(C)C)C1=O 408884878 VVYDWWWPGGYBLO-PDGQHHTCSA-N 408.454 3.711 10 40 HHCB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1Oc1nc(Cl)ncc1F 409338318 HRUPAKMSNMDPPP-SDQBBNPISA-N 411.867 3.949 10 40 HHCB CCOC(=O)C(=Cc1cc(C)n(-c2ccc(C(=O)OCC)cc2)c1C)C(=O)OCC 3181329 VFGHCGWHRNOZMR-UHFFFAOYSA-N 413.470 3.780 10 40 HHCB CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18165335 DGHHDANZEPTKRU-ZLNRFVROSA-N 413.477 3.804 10 40 HHCB Cc1ccc2nc(C)cc(OCC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2c1 19661045 BMDVCFKGXZEEFQ-IBGZPJMESA-N 419.525 3.944 10 40 HHCB CCN(CC)[C@H](CNC(=O)CSc1ncc(-c2ccccc2)n1C)c1ccco1 24975924 LDRBQCPCZKSVOJ-LJQANCHMSA-N 412.559 3.972 10 40 HHCB COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(F)cc4)co3)CC2)cc1 56949959 DMQKHQGJGDBSNS-UHFFFAOYSA-N 424.472 3.689 10 40 HHCB O=c1c(Cl)c(NCc2ccc(N3CCC(CO)CC3)cc2)cnn1-c1ccccc1 65575274 VYGDFMNYCAFDOI-UHFFFAOYSA-N 424.932 3.707 10 40 HHCB COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1cccc([N+](=O)[O-])c1 113833745 NXBXOCIDQHCZAO-CXUHLZMHSA-N 402.453 3.671 10 40 HHCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 5552695 BHXSXWUTHOPYCR-YVLHZVERSA-N 409.492 3.723 10 40 HHCB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 5614298 QZFDUBVGEBSMHL-CPOQMQJTSA-N 405.450 3.907 10 40 HHCB CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)cc3)NC2=S)cc1 15257174 VLCAGSRLDBUBLB-RCCKNPSSSA-N 407.539 3.909 10 40 HHCB CN1C(=O)/C(=C/c2ccc(OCCOCCOc3ccccc3)cc2)SC1=S 41077620 ZMBNJUNBGATBHB-CYVLTUHYSA-N 415.536 3.992 10 40 HHCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(Cn3cccn3)cc2)cc1 71793328 LHVYKFHGGOXBRK-XMMPIXPASA-N 418.541 3.819 10 40 HHCB O=C1/C(=C\c2ccc(-c3ccccc3)cc2)SC(=S)N1CCN1CCOCC1 96019598 HTCXQTBDMYWNRY-CAPFRKAQSA-N 410.564 3.887 10 40 HHCB CCc1cccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1 108090578 WMXMALASNRQPJF-UVTDQMKNSA-N 403.866 3.785 10 40 HHCB C[C@H]1CCCN(S(=O)(=O)c2ccc(N[C@H](C)c3ccccc3O)c([N+](=O)[O-])c2)C1 109018206 RWEMWKNEQKMNIE-LSDHHAIUSA-N 419.503 3.894 10 40 HHCB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3C(=O)c3ccccc3)ccc21 223845790 UNLITNFBGQDHQJ-UHFFFAOYSA-N 420.490 3.627 10 40 HHCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(C(=O)O)cc1 8820363 ULUZVKCNWHGMAU-GUSDSWBTSA-N 424.503 3.781 10 40 HHCB CCOc1ccccc1-n1cccc1/C=C1\C(=O)N(Cc2ccco2)C(=O)N=C1O 20210253 VJFNMNZJLKITSB-LGMDPLHJSA-N 405.410 3.971 10 40 HHCB Cc1ccc([C@@H](c2ccccc2O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 12939026 KQRSUJLLHDIRQM-DEOSSOPVSA-N 422.550 3.797 10 40 HHCB CCn1c(-c2ccccc2)cnc1SCC(=O)N[C@@H](Cc1ccccc1)C(C)=O 6657483 FSJZOCLKKIWVFF-FQEVSTJZSA-N 407.539 3.979 10 40 HHCB Cc1cccc2c1N[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@H]1CC=C[C@@H]21 408834381 YPAAGLKVWXQCCR-RRPUWOKSSA-N 410.539 3.842 10 40 HHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(CC)c4ccccc34)C2=O)cc1 2394192 NGKXEZSVJXQVTA-UYRXBGFRSA-N 403.438 3.726 10 40 HHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(OC)c1 706674 JHUMIMKREBETEA-QGOAFFKASA-N 423.538 3.681 10 40 HHCB COc1ccccc1N1C(=O)/C(=C\c2c(Cl)cccc2Cl)C(=O)NC1=S 5527594 XRGODNDSNXTTMM-LUAWRHEFSA-N 407.278 3.833 10 40 HHCB CCOc1ccc(-n2c(C)cc(C(=O)CSc3n[nH]c(=O)n3C3CC3)c2C)cc1 8504173 SMAXIQPTBLSXLO-UHFFFAOYSA-N 412.515 3.688 10 40 HHCB O=C1c2ccccc2N[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2O)N1C[C@H]1CCCO1 12555012 UXVDBZSCNQDGCJ-KZULUSFZSA-N 403.822 3.699 10 40 HHCB COc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)cc1Cl 49003800 ONRRARNQSOJOED-UHFFFAOYSA-N 418.902 3.738 10 40 HHCB O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1Cc1ccccc1 15011620 OTLGDTXZIFWOAM-FRKPEAEDSA-N 400.437 3.725 10 40 HHCB CC[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 34881357 IVQRVOUEKJOALO-ATTDUZETSA-N 400.862 3.987 10 40 HHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1OC 408801792 BSOACBCFECRABW-SFQUDFHCSA-N 408.454 3.767 10 40 HHCB COc1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cc1Cl 225776255 GLPDUAZLSMAJKN-UHFFFAOYSA-N 404.967 3.587 10 40 HHCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccccc1 41078436 XGTUQRKSUVARKN-WMUNWQNWSA-N 417.421 3.755 10 40 HHCB COc1ccc(N2CCN(C[C@@H](O)CCO[C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)CC2)cc1 253531564 AJDHPXQJIJMMJH-IQKBUIRBSA-N 416.606 3.800 10 40 HHCB COC(=O)c1ccc(NCN2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)cc1 3023790 NIASGBHSQZOFCU-GZTJUZNOSA-N 414.508 3.753 10 40 HHCB COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3O)=NN2)c(OC)c1OC 12390496 USXPAYCQVJBPTA-CQSZACIVSA-N 424.453 3.580 10 40 HHCB Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)n(C)n1 23237872 WXLMJZDJWPMNOL-UHFFFAOYSA-N 407.499 3.964 10 40 HHCB COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1 32099601 BJGBWQNQEDGWDT-PDGQHHTCSA-N 422.824 3.848 10 40 HHCB COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCOCC1 222608273 BIESKFCOZOJWPW-IWMITWMQSA-N 410.543 3.516 10 40 HHCB CCOc1c(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cccc1OC 686952 VYRFGNSFUQKDDO-UKTHLTGXSA-N 407.253 3.862 10 40 HHCB CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 4541643 UYBJYOKQIPUAAH-UHFFFAOYSA-N 405.454 3.848 10 40 HHCB CN1CCCc2cc([C@@H](CNC(=O)c3ccc(Br)cc3)N(C)C)ccc21 13008184 MXXWFVKZUQDXLA-HXUWFJFHSA-N 416.363 3.864 10 40 HHCB COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=O)N(C4CCCCC4)C3=O)c2c1 15228164 DQSZVSBAWIWNHF-CPNJWEJPSA-N 408.454 3.652 10 40 HHCB CCN(CC)C(=O)[C@@H]1C=C2c3cccc4c3c(c(Br)n4C)C[C@H]2N(C)C1 95810616 KLMFUBCMJSPRPY-FZKQIMNGSA-N 416.363 3.679 10 40 HHCB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CC[C@@H](C)C2 100507573 SZFXIWSPFITWIU-VCSATFKPSA-N 403.500 3.511 10 40 HHCB CCCn1cc(/C=C2\C(=O)N=C(O)N(Cc3ccc(OC)cc3)C2=O)c2ccccc21 2369364 ICMRSNCIBHSTHS-DEDYPNTBSA-N 417.465 3.926 10 40 HHCB O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 2411148 XKRNDTWQJCCKTO-MHWRWJLKSA-N 418.858 3.601 10 40 HHCB COCCNc1cc(NCc2ccccc2)c(N)c2c1C(=O)c1ccccc1C2=O 6664387 WDHHPQMCIRCYDK-UHFFFAOYSA-N 401.466 3.715 10 40 HHCB COc1ccc(C2(Nc3ccc4c(c3)OCCO4)C(=O)c3ccccc3C2=O)cc1 6902074 GRUKQKHDIPBZJL-UHFFFAOYSA-N 401.418 3.853 10 40 HHCB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccccc1 13343662 PXTOHAYEDIHZAY-YVLHZVERSA-N 415.492 3.560 10 40 HHCB CC(=O)Nc1ccc(N2C(=O)/C(=C\c3cnc4ccccc4n3)SC2=S)cc1 32060025 ATSMTYFRABOSSQ-VCHYOVAHSA-N 406.492 3.994 10 40 HHCB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 408818104 XWLZSHYEEMKJSR-LFIBNONCSA-N 400.887 3.878 10 40 HHCB CC[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] 34839642 KLMVZMKOXICUSW-YUSFRKCESA-N 415.833 3.887 10 40 HHCB O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 71824357 JVGCIUUGPIEYQX-HJPURHCSSA-N 409.507 3.576 10 40 HHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc2c(c1)OCO2 222745056 ONDBVEFAKGCJKX-NHCUHLMSSA-N 406.511 3.820 10 40 HHCB CCOc1ccc(/N=N/[C@H]2C(=O)N(C(=O)CC(=O)Nc3ccc(C)cc3)N=C2C)cc1 102971741 SPNIVWLVNYTIJT-JOWZZTKRSA-N 421.457 3.620 10 40 HHCB COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O 13689611 OCDUYSNOFHZQJT-GDNBJRDFSA-N 404.900 3.895 10 40 HHCB CN1C(=O)/C(=C\c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)SC1=S 408724180 HCZROIZONMNXEN-XNTDXEJSSA-N 400.437 3.645 10 40 HHCB S=C(NNc1ccccc1)Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4 408997689 SKKRPQQGHMYEHN-UHFFFAOYSA-N 403.467 3.868 10 40 HHCB CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(O)c1 32138975 IUURHHZNXXUCKM-BOPFTXTBSA-N 413.861 3.558 10 40 HHCB CN(C)c1ccc([C@@H](CNC(=O)c2ccco2)N2CCN(c3ccccc3)CC2)cc1 22665424 DADRMUXWYIULAN-HSZRJFAPSA-N 418.541 3.639 10 40 HHCB C[C@H]1Cc2cc(/C=C3/SC(N4CCN(Cc5ccccc5)CC4)=NC3=O)ccc2O1 20517459 PGECTNTVYQCOLK-HINJULBWSA-N 419.550 3.798 10 40 HHCB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NCc3cc(Cl)ccc3O)cc2)n1 4384948 NDKRBNJJCCADRG-UHFFFAOYSA-N 418.906 3.865 10 40 HHCB Cc1cccc(OCCOCCOc2cccc(/C=C3/SC(=S)NC3=O)c2)c1 13941935 JMCJGKLISCBWCW-XMHGGMMESA-N 415.536 3.958 10 40 HHCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 58865990 BKZKHMDYUFXGJN-UHFFFAOYSA-N 409.394 3.928 10 40 HHCB CC/C(NC[C@@H]1CCCO1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100158092 ARDXWSBWOPMZGW-NUFCYMDASA-N 424.448 3.994 10 40 HHCB CCCc1cc(C(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N(C)c3ccccc3)C2)no1 257319150 VQYSKVKBCMOZHW-INIZCTEOSA-N 421.501 3.647 10 40 HHCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccccc1 686989 ZLIZTGNQLJNTKJ-XSFVSMFZSA-N 400.434 3.736 10 40 HHCB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C1=O 409138845 ITUODOUSCOCTPD-LDADJPATSA-N 414.483 3.563 10 40 HHCB CN(C)c1ccc(/C=C2/SC(N3CCN(c4ccc(F)cc4)CC3)=NC2=O)cc1 2403408 OLSVCQDBDIAWBU-HMMYKYKNSA-N 410.518 3.684 10 40 HHCB CCCN1C(=O)CC(=O)N=C1SCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 5694636 CTSKBKQXVMFMNI-UHFFFAOYSA-N 415.490 3.674 10 40 HHCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)NC1=S 409074213 KZFNIXHFSSDMSI-GHRIWEEISA-N 423.513 3.820 10 40 HHCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Br)cc1 409200068 GGEVQCJUINKMEA-RIYZIHGNSA-N 405.635 3.769 10 40 HHCB O=c1[nH]c2ccc(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc2o1 223313542 YMKMSOBQIDVWRH-UHFFFAOYSA-N 407.860 3.699 10 40 HHCB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1N1CCOCC1 260771970 MCGRRMQFZFSDBN-NPFVIJTESA-N 424.570 3.906 10 40 HHCB O=C(NCc1cc([N+](=O)[O-])ccc1O)c1cc(-c2ccncc2)nc2ccccc12 12823686 CZLJDQAQFFSBHF-UHFFFAOYSA-N 400.394 3.841 10 40 HHCB O=C(O)CN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)SC1=S 5769463 MDJAFUGWILULBA-CXUHLZMHSA-N 403.456 3.691 10 40 HHCB CC(=O)Nc1ccc(C(=O)N2N=C(C)/C(=C/c3c(O)ccc4ccccc34)C2=O)cc1 16958241 AQZMOEUWZUWAAZ-MOSHPQCFSA-N 413.433 3.946 10 40 HHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C 223010510 IYXQAEFCGZHDAW-VXKWHMMOSA-N 422.554 3.814 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(Cl)cc1OC 408915100 USKIWYMBGXKFMU-VGOFMYFVSA-N 418.808 3.553 10 40 HHCB Cc1ccc(C)c(N2C(=O)/C(=C/C=C/c3ccc(N(C)C)cc3)C(=O)NC2=S)c1 409247166 CGWGXFRKKLJBKE-LBAFEDMOSA-N 405.523 3.757 10 40 HHCB COc1ccc(N/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 1015620 CCKOFBYXPRVBJB-UKTHLTGXSA-N 422.293 3.746 10 40 HHCB COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCC1 8963274 ZWHKOTUESUUEDC-NRFANRHFSA-N 413.949 3.908 10 40 HHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(C(=O)O)c1 222742410 CZLYUQVQOBKOEY-UXHICEINSA-N 406.511 3.790 10 40 HHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1 223033499 XVSXWYYOBXQFDA-FCHUYYIVSA-N 422.554 3.808 10 40 HHCB CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OCC)c1 1214455 QMIDVGNFCIFLTB-BOPFTXTBSA-N 414.845 3.804 10 40 HHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccn1 408964941 ISPBGHWWDDTWKQ-LDADJPATSA-N 420.856 3.809 10 40 HHCB COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2cccc(F)c2)SC1=S 409218232 ZMAMKTLMEPLXOI-YVLHZVERSA-N 417.483 3.779 10 40 HHCB CCOC(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 4174029 UNDULAXYIRMGJD-XFXZXTDPSA-N 400.319 3.604 10 40 HHCB COc1ccc(CCN2C(=O)/C(=C\c3cccc(O)c3)SC2=S)cc1OC 35038789 PWQVLENRJQUGBB-LDADJPATSA-N 401.509 3.853 10 40 HHCB CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C1=O 205781992 KCDXKUJBDSDKIE-LICLKQGHSA-N 402.447 3.833 10 40 HHCB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccc3nccnc23)SC1=S 256055703 QDUCFMZGSXODIA-BQGMYUGNSA-N 421.503 3.527 10 40 HHCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O 408853765 RKJTWLAFWLQJMM-UXBLZVDNSA-N 411.241 3.669 10 40 HHCB COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O 409197909 RSIGKTMXQZWOHK-RQZCQDPDSA-N 404.513 3.668 10 40 HHCB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O 409343391 HEKQBDGFXKDDPC-FRKPEAEDSA-N 416.436 3.738 10 40 HHCB COc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(O)=NC2=S)cc1 1197694 HIDMRGKPCRILQV-ANSBUGDOSA-N 409.423 3.831 10 40 HHCB Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 2397579 CURLGUIQFYSJEN-FYJGNVAPSA-N 417.440 3.895 10 40 HHCB CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)CC)C1=O 6324177 RAAOZLXXUQGQLT-OJNRTJSBSA-N 416.572 3.825 10 40 HHCB COc1cccc(-n2c(C)cc(C(=O)NCc3nc(-c4ccccc4)n[nH]3)c2C)c1 69454813 GYTLIUIXEZWZFL-UHFFFAOYSA-N 401.470 3.818 10 40 HHCB COc1cc(C(C)=O)ccc1OCCCC(=O)N1CCOc2cc(N(C)C)ccc21 72303723 SFQHLFGKKMLIHH-UHFFFAOYSA-N 412.486 3.548 10 40 HHCB COc1cc(C(=O)NN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)ccc1O 1255043 UNOATFQFTNYSDE-WIXUPIFPSA-N 412.492 3.503 10 40 HHCB O=C1/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1c1ccccc1 9419944 OPAAJQHJMUCGLS-CAOOACKPSA-N 408.460 3.663 10 40 HHCB O=C(COC(=O)c1ccc(F)cc1F)Nc1cccc2c1C(=O)c1ccccc1C2=O 12660069 OCLNWOYNQOHUSC-UHFFFAOYSA-N 421.355 3.536 10 40 HHCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\C2=Cc3ccccc3O[C@@H]2C)SC1=S 13730143 YZESAYPDGUCDEM-RWJXEWCUSA-N 421.565 3.801 10 40 HHCB Cc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)n1-c1ccccc1 41085185 BCMQKDOWQPZBGZ-JJEZRMFNSA-N 418.526 3.767 10 40 HHCB CCN(CC)c1ccc(N/C=C2/C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cc1 7991591 RFMOXJHOOXIYIA-SILNSSARSA-N 410.518 3.798 10 40 HHCB Cc1c(Cc2ccccc2)c(=O)oc2c(CNCCCn3ccnc3)c(O)ccc12 8990355 UMTRGTJUUKILMD-UHFFFAOYSA-N 403.482 3.774 10 40 HHCB CC[C@@H](C)c1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 12554925 NOQQQGHZYCLFHO-GOSISDBHSA-N 402.560 3.857 10 40 HHCB COc1ccc(-c2noc(C3=C(C)NC(=S)N[C@@H]3c3ccc(N(C)C)cc3)n2)cc1 20745518 HORYQYUDNFEEEQ-LJQANCHMSA-N 421.526 3.761 10 40 HHCB c1ccc(-c2cnc(SCc3nnnn3-c3ccccc3)n2C[C@H]2CCCO2)cc1 24907507 SZUKFVVANOCUGC-LJQANCHMSA-N 418.526 3.997 10 40 HHCB CCOc1cc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(C)=C2C(=O)OC)ccc1O 408584643 SMJRISXPJKVVHK-BOPFTXTBSA-N 424.409 3.576 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1OCC 409246559 CTYQMPFVRREMPF-FOWTUZBSSA-N 410.495 3.624 10 40 HHCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccccc1 409342729 DZIHLWTZRZWQAV-GZTJUZNOSA-N 414.508 3.544 10 40 HHCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(Cl)cc1 409394187 WXAXYFPYYUVRRZ-UNOMPAQXSA-N 420.856 3.809 10 40 HHCB COc1cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)ccc1OCC(C)C 6952073 YOPPIZVXYYLVPN-MFOYZWKCSA-N 400.862 3.845 10 40 HHCB CCN(CC)c1ccc(/C=c2/sc3nc(/C=C/c4cccs4)nn3c2=O)cc1 16807452 YGFSWKOFIXLTBF-NBNZOSCDSA-N 408.552 3.777 10 40 HHCB O=C1N=C(O)/C(=C\c2ccc3c(c2)OCO3)C(=O)N1c1cccc(C(F)(F)F)c1 17027780 WJRWAXAVSKIVCC-AWNIVKPZSA-N 404.300 3.941 10 40 HHCB CCOc1ccccc1/C=C1/SC(N2CCN(Cc3ccccc3)CC2)=NC1=O 20267326 IVBJRIUESKLPKG-LTGZKZEYSA-N 407.539 3.873 10 40 HHCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)N2CCCCC2)C1=O 106756272 QODQOBVBYNHJGQ-RGEXLXHISA-N 413.543 3.644 10 40 HHCB Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 408962295 YGIXFJVTQHRRSR-XDHOZWIPSA-N 409.873 3.915 10 40 HHCB CC(/C=C1\SC(=S)N(CC(=O)Nc2nccs2)C1=O)=C\c1ccccc1 4745636 AWZPCSYAJDIIME-FNIWZSMSSA-N 401.538 3.929 10 40 HHCB COc1cccc(-n2c(C)cc(C(=O)Nc3cccc(N4CCNC4=O)c3)c2C)c1 65587640 MFMITBZOZXLNDA-UHFFFAOYSA-N 404.470 3.885 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1ncc(-c2ccccc2F)o1 9975487 JNJOXDVXPNVKKC-UHFFFAOYSA-N 423.488 3.909 10 40 HHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccn4)c3C)C2=O)c1C 409233250 DXHQTOYWSVDWSX-CPNJWEJPSA-N 414.465 3.772 10 40 HHCB COc1cccc([C@H]2CCCN2Cc2cc(OC)c(N3CCOCC3)cc2OC)c1 19715738 SEBUYJLZCPXRAY-OAQYLSRUSA-N 412.530 3.886 10 40 HHCB Cc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)s1 1798940 KIQKTHCYRAGMNQ-FLIBITNWSA-N 410.571 3.528 10 40 HHCB Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@H](C)O4)cs2)cc1 11904361 IKVJERWODQDKBR-LBPRGKRZSA-N 415.496 3.639 10 40 HHCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccccc4C)C3=O)c2C)nc1 13546848 YAXZPMBNNVKYHE-UNOMPAQXSA-N 414.465 3.772 10 40 HHCB COc1ccc(N2CCN(c3ncc(-c4cnccn4)c(-c4ccco4)n3)CC2)cc1 19556613 KFEGYUGKBCVMCM-UHFFFAOYSA-N 414.469 3.529 10 40 HHCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H](C)NC(=O)C(C)(C)C)c2C)cc1F 22525303 PGFGRPFYVDTVGC-OAHLLOKOSA-N 416.493 3.818 10 40 HHCB CCN(CC)CCN[C@@H](CC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)C(=O)O 97572416 XGSYNUUIKPIDBT-DDJBQFQUSA-N 411.506 3.815 10 40 HHCB O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1C(=O)c1cccc([N+](=O)[O-])c1 408719154 KEHVJCGGKBZDBX-RIYZIHGNSA-N 415.408 3.545 10 40 HHCB COc1cc(/C=C2/SC(=S)N(c3ccc(O)cc3)C2=O)cc(OC)c1OC 1236376 AQOAOAFZVYEMEF-MHWRWJLKSA-N 403.481 3.824 10 40 HHCB Cc1cccc(N2C(=O)/C(=C\c3cccn3-c3ccccc3)C(=O)NC2=S)c1C 4467814 NLQRQGQUCNJDCR-RGEXLXHISA-N 401.491 3.925 10 40 HHCB Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1C 6886377 XQHXKEAOROBTSY-UHFFFAOYSA-N 413.429 3.874 10 40 HHCB O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Br)cc1 33345495 PXRHMENDVUPECE-NTEUORMPSA-N 422.076 3.673 10 40 HHCB Cc1c(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc2n1Cc1ccccc1F 59139713 GNQMETUUJFGAQG-UHFFFAOYSA-N 421.497 3.736 10 40 HHCB COc1ccc(C[C@@H]2SC(=S)N(Cc3cccnc3)C2=O)cc1Br 409162528 WNPBZBAIRJYZDY-HNNXBMFYSA-N 423.357 3.824 10 40 HHCB Cc1ccc(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1F 13149057 AWLHCWTZRFGSHQ-UHFFFAOYSA-N 417.392 3.705 10 40 HHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C 222998189 HNWRXFISUXLTHO-LEWJYISDSA-N 407.543 3.503 10 40 HHCB Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223623246 BNKSCVXQUWZORU-RTWAWAEBSA-N 421.570 3.547 10 40 HHCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(I)c1 100233056 QOROOEQSZZLJEX-NTEUORMPSA-N 404.207 3.803 10 40 HHCB O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccccn1 4746843 MULGUIKCIYZEPY-QINSGFPZSA-N 401.488 3.841 10 40 HHCB Cc1cc(C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc2c(c1)OCCO2 28265343 GKWNCTDPHYTQQK-UHFFFAOYSA-N 417.509 3.828 10 40 HHCB Cc1nn(C)c2ncc(NC(=O)c3cc(C)n(-c4ccc5c(c4)OCCO5)c3C)cc12 40060299 XGSZBDAHNKGFBG-UHFFFAOYSA-N 417.469 3.708 10 40 HHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1O 408859746 YSMZOOIROFAHAP-JXMROGBWSA-N 423.277 3.539 10 40 HHCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc(Br)c1O 408904324 HYJIAAWSMWUPEQ-RIYZIHGNSA-N 402.204 3.869 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c1OCC(=O)O 409349625 VTPMDKYCODOODP-NVNXTCNLSA-N 419.455 3.704 10 40 HHCB O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1cccc(F)c1 409356257 GHOVBCZCNPZWEU-PJQLUOCWSA-N 404.400 3.868 10 40 HHCB Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1cccc(C(=O)O)c1 2185500 CIUHESIPAWCHNN-UDWIEESQSA-N 415.474 3.563 10 40 HHCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc(C(=O)O)c1 8763461 YJHXKBQPSIPYQO-RVDMUPIBSA-N 416.480 3.598 10 40 HHCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1Br 408695106 PIQVDWSVBKLFOU-NTEUORMPSA-N 421.291 3.641 10 40 HHCB CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 408803312 NNXSIFSUAYKNNZ-XDHOZWIPSA-N 408.454 3.767 10 40 HHCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1Cc1cccc(F)c1 408867598 KQVCVURZJRTRCX-KGENOOAVSA-N 416.408 3.789 10 40 HHCB COc1ccc(N(CC(=O)N2CC(=O)Nc3ccccc32)Cc2ccccc2)cc1 10395176 PAAWUMHBZNPGLT-UHFFFAOYSA-N 401.466 3.687 10 40 HHCB CCCN1C(=O)/C(=C\c2ccc(Br)o2)C(=O)N(c2ccccc2)C1=S 9934532 GDDFZRLYRZEXEH-SDNWHVSQSA-N 419.300 3.996 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OC 408814971 ZYADCRCWXYVQJI-OQLLNIDSSA-N 414.845 3.722 10 40 HHCB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)Nc1ccc(F)c(Cl)c1 409224456 LOPDKUCXDOFQHX-GIDUJCDVSA-N 422.821 3.565 10 40 HHCB CN1CCN(c2ccc(CNC(=O)CSCc3c(F)cccc3Cl)cc2)CC1 216931834 PEQDGCANZPEQJS-UHFFFAOYSA-N 421.969 3.781 10 40 HHCB O=S(=O)(Nc1ncccn1)c1ccc(/N=N/c2ccc(O)c3ncccc23)cc1 18181590 HFVBFGGESMZQHZ-WCWDXBQESA-N 406.427 3.947 10 40 HHCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(Br)cs3)C(=O)NC2=S)c1 409229962 AGUMXLCWVXPKCT-NTUHNPAUSA-N 421.341 3.959 10 40 HHCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N2CCCCCC2)C1=O 4263396 XOOZEMHPOJEYFD-VKAVYKQESA-N 404.557 3.689 10 40 HHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccccc1N1CCCC1 5484465 ZVRGSWDRRYYKKG-DTQAZKPQSA-N 410.861 3.519 10 40 HHCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1O 409033592 FSQAVZCJSCDHMC-UITAMQMPSA-N 413.258 3.802 10 40 HHCB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1 9529677 GPTWLABAXMSRFN-LJQANCHMSA-N 408.893 3.925 10 40 HHCB COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Cl)c1OCC(=O)O 409038775 PINCKOXXEJBIKN-MLPAPPSSSA-N 415.920 3.669 10 40 HHCB CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1 409017482 WWYYQUVQEFHLES-ZHZULCJRSA-N 407.539 3.981 10 40 HHCB COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N(C)C 13008171 DYIZXVPKUQKHSF-FQEVSTJZSA-N 401.938 3.764 10 40 HHCB CN1CCN(Cc2c(O)ccc3c(=O)c(-c4nc5ccccc5s4)coc23)CC1 19361174 CXQZZARGKLBVBX-UHFFFAOYSA-N 407.495 3.523 10 40 HHCB biogenic CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@@H](C)C2 4611977 SZFXIWSPFITWIU-SEQRPAEDSA-N 403.500 3.511 10 40 HHCB Cc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)o1 96114145 XSTKBIUPMZNKJC-GFCCVEGCSA-N 420.373 3.919 10 40 HHCB biogenic CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)C(=O)NC1=S 408962601 ZPRRVTAEIMZGBD-XDJHFCHBSA-N 405.523 3.681 10 40 HHCB COc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)NC2=S)cc1 4675368 SWNOZLPYJPUIRE-HKWRFOASSA-N 421.522 3.517 10 40 HHCB CCOc1ccc(-n2c(C)cc(C(=O)COc3cccc(-n4cnnn4)c3)c2C)cc1 5701491 FCNHVVQKNOAADL-UHFFFAOYSA-N 417.469 3.730 10 40 HHCB O=C(CSC(=S)N1CCCC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 12569125 CZCIFDZSDVLLQB-UHFFFAOYSA-N 410.520 3.514 10 40 HHCB O=C1c2ccccc2N[C@H](c2cccc(Br)c2O)N1C[C@@H]1CCCO1 54681732 XAZFSJNVTDYTDT-SGTLLEGYSA-N 403.276 3.900 10 40 HHCB Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@H]2C1=O 102703707 VXCHZEGCOJVBAY-BHIFYINESA-N 400.434 3.752 10 40 HHCB CCc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C(=O)NC2=S)cc1 409379005 UBQFNOKHFTYEGW-LFIBNONCSA-N 415.312 3.843 10 40 HHCB CCCOc1nc2ccccc2cc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1133127602 RYJUNJQKSSFDKL-UHFFFAOYSA-N 418.541 3.705 10 40 HHCB Cc1ccc(C(=O)NCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1 1393726 LDTLHDPVXHHMGS-UHFFFAOYSA-N 409.530 3.982 10 40 HHCB Cc1cc(C(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 3358321 QUGWXFLHJBWUSJ-NRFANRHFSA-N 419.456 3.579 10 40 HHCB COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc1OC 5173502 TXBYVGZQPNRXOD-ZSOIEALJSA-N 400.818 3.862 10 40 HHCB O=C(C1=CN(c2cccc(F)c2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1 49003929 LEBQWELKSFXHHX-UHFFFAOYSA-N 404.438 3.744 10 40 HHCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 107932014 CVUXSXKHRZGDGI-BOPFTXTBSA-N 415.486 3.718 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)C(=O)NC2=S)cc1 408960234 KAILITOIXSNUIF-XSFVSMFZSA-N 405.523 3.735 10 40 HHCB NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 409201598 MWJURSLOLLOSEG-OQLLNIDSSA-N 404.900 3.610 10 40 HHCB COc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(OC)c1 1834433 PPFYHAIOGBIYBS-CXUHLZMHSA-N 401.465 3.808 10 40 HHCB COc1ccc(N2CCN(C(=O)Cc3ncc(C(F)(F)F)cc3Cl)CC2)cc1 4053788 JCOJFRHGCWRIOS-UHFFFAOYSA-N 413.827 3.654 10 40 HHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1O 408887807 RCRHTKLOMANNDY-LFYBBSHMSA-N 421.236 3.682 10 40 HHCB CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C)nc2c1c(C)nn2C 78947477 UNIWTPHVJMFOKP-UHFFFAOYSA-N 417.307 3.716 10 40 HHCB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1N1CCCC1 409202299 QXZSQFNGYOSUCL-RGEXLXHISA-N 413.543 3.644 10 40 HHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1O 223617977 PFCOBVJFZIJLIZ-FCHUYYIVSA-N 422.554 3.550 10 40 HHCB COC(=O)c1cc(NC(=S)NCCCN2CCc3ccccc32)ccc1Cl 225560316 GJEIGGLNKLAOFZ-UHFFFAOYSA-N 403.935 3.866 10 40 HHCB CC1=NN2C(=N)/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C(=O)N=C2S1 8722144 CIGMBGHJYUTIOI-LVKBRKGQSA-N 421.438 3.813 10 40 HHCB COc1cc(Br)cc([C@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)c1O 9007986 BNJJEGJYFCYZKL-HNNXBMFYSA-N 424.320 3.642 10 40 HHCB Cc1cc(/C=C2\SC(=S)N=C2O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 16158335 FBLVKSVBGQBYOO-AUWJEWJLSA-N 402.453 3.820 10 40 HHCB COc1ccc(C)cc1/N=N\[C@H]1C(=O)N(C(=O)CC(=O)Nc2cccc(C)c2)N=C1C 104236502 ZXLDYHNALILNBH-AGHKFTSRSA-N 421.457 3.538 10 40 HHCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1c(O)ccc2ccccc12 408769823 PIMUYAOGYPCPJO-NDENLUEZSA-N 400.434 3.813 10 40 HHCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1OC 409246560 CUIULHVWNMTCRB-SFQUDFHCSA-N 410.495 3.659 10 40 HHCB COC(=O)c1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 409349184 UVLCBDCKBMECJC-DHDCSXOGSA-N 400.437 3.787 10 40 HHCB CCOc1cc(/C=C/C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1OC 16134633 CJABPZCNOUKNNQ-XYOKQWHBSA-N 410.514 3.602 10 40 HHCB COC(=O)c1ccc(-n2c(C)cc(C(=O)Cn3cnc4sccc4c3=O)c2C)cc1 23064770 IVWBUPIPQORFHF-UHFFFAOYSA-N 421.478 3.535 10 40 HHCB COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3cccc(OC)c3)c2C)C1=O 409102427 ZOWOXUJSSLTSDC-FNHQQPGVSA-N 414.483 3.701 10 40 HHCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cccn1-c1ccccc1 409230667 FFDNJTPGGAWZEU-DTQAZKPQSA-N 407.882 3.962 10 40 HHCB Cc1cc(C)c2c(N)c(C(=O)OCC(=O)c3ccc(N4CCCC4=O)cc3)sc2n1 9117734 LACZCXLWXNGIPL-UHFFFAOYSA-N 423.494 3.662 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)c1 409248065 JTRQEAHSVUFZLR-CXUHLZMHSA-N 420.412 3.854 10 40 HHCB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)c(F)c2)C1=O 409098407 PVDQXLAVBJSVEI-GZTJUZNOSA-N 406.479 3.804 10 40 HHCB O=C1C[C@@H](c2ccco2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96113815 XCHKXUQHUJHQBK-NSHDSACASA-N 406.346 3.611 10 40 HHCB biogenic COc1cc(OC)c(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1Br 709401 GTRCWNLHSUECIS-UHFFFAOYSA-N 411.248 3.610 10 40 HHCB CN(C)c1ccc([C@H](CNC(=O)c2ccco2)N2CCN(c3ccccc3)CC2)cc1 22665429 DADRMUXWYIULAN-QHCPKHFHSA-N 418.541 3.639 10 40 HHCB COc1ccc(/C=C2\SC(Nc3c(C)n(C)n(-c4ccccc4)c3=O)=NC2=O)cc1 941228 KICCJHSUCXLHRJ-AQTBWJFISA-N 420.494 3.575 10 40 HHCB COc1ccc(OC)c(/C=C2/SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)c1 2261231 DPRQAHPQYRUTPT-YTBHAWNYSA-N 415.492 3.731 10 40 HHCB COC(=O)c1ccc([C@@H]2Nc3ccc(C(=O)NCCC(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc1 103020660 XFZYFNFEFFKRCP-FGSXEWAUSA-N 420.465 3.504 10 40 HHCB Cc1nn(CC(C)C)c(C)c1CCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 24207208 JIGKSDCLBMOSTO-UHFFFAOYSA-N 412.578 3.584 10 40 HHCB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)n1-c1ccccc1 223289965 WKYLZSUSKSBXBC-YADHBBJMSA-N 405.571 3.715 10 40 HHCB COc1ccc2c3c(n(CCCn4ccnc4)c(=O)c2c1OC)-c1ccccc1C3=O 604403918 DLEOVMXSNPANMD-UHFFFAOYSA-N 415.449 3.517 10 40 HHCB biogenic O=C1c2ccccc2N[C@H](c2cc(Cl)cc([N+](=O)[O-])c2O)N1C[C@H]1CCCO1 12555013 UXVDBZSCNQDGCJ-XIKOKIGWSA-N 403.822 3.699 10 40 HHCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3O)C2=O)cc1 27530520 UENXMUBBMZAJIU-GZTJUZNOSA-N 414.508 3.631 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3O)C2=O)cc1C 409043801 AODIWZWEKWGUAV-VGOFMYFVSA-N 405.237 3.982 10 40 HHCB Cc1cc2oc(=O)c3c(c2c(O)c1CN(C)C[C@H]1CCCN2CCCC[C@H]12)CCC3 1565520289 QKDKWEFQOMEWTO-DYESRHJHSA-N 410.558 3.992 10 40 HHCB biogenic CCc1ccc(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2CC(=O)OC)cc1 17093012 JKYXXGCYFYMGOJ-STZFKDTASA-N 422.441 3.809 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2C(=O)O)o1 4604712 MYLHPCDQOTUIBW-BOPFTXTBSA-N 408.797 3.760 10 40 HHCB CN1CCc2cc([C@@H](CNC(=O)c3ccc4ccccc4c3)N3CCOCC3)ccc21 22733506 LKQLXEOSYDAWDZ-RUZDIDTESA-N 415.537 3.635 10 40 HHCB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(C(N)=O)cc1 100524794 WGWVQZCRCXPDSF-GSWFEHRJSA-N 404.455 3.784 10 40 HHCB COCCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)C(C(=O)OC)=C1C 409021912 FNHBWRPOYIKHCE-QNGOZBTKSA-N 407.466 3.585 10 40 HHCB CC[C@@H](C)Oc1ccc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc1 409015231 ZAISGVVHSPORGI-RRMQHPPMSA-N 422.481 3.889 10 40 HHCB Cc1cccc(OCCOCCOc2cccc(/C=C3\SC(=S)NC3=O)c2)c1 4614498 JMCJGKLISCBWCW-RGEXLXHISA-N 415.536 3.958 10 40 HHCB Cc1cc(C(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)c(C)n1-c1ccc(Cl)cc1 7238842 SCCDPXKBPQVVSG-GOSISDBHSA-N 401.894 3.897 10 40 HHCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccccc4)C3=O)c2C)c1 14010156 ORXPSFXDGAHNER-KGENOOAVSA-N 415.449 3.978 10 40 HHCB CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H](CNC(=O)[C@H]4CC=CCC4)CC3)ccc21 100766678 XBXSSPHVCSRPPZ-ILWGZMRPSA-N 423.601 3.964 10 40 HHCB COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260762371 IFOLJGHJHZULEG-IRXDYDNUSA-N 416.543 3.749 10 40 HHCB Cc1cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 13748533 BYRHOXHIOMQHLO-ODLFYWEKSA-N 401.422 3.920 10 40 HHCB COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 409052836 AWWCMMXHUOUNNB-NTUHNPAUSA-N 409.200 3.808 10 40 HHCB CCN1C(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)SC1=S 2959492 NOPNLFFOPXBOEW-ATVHPVEESA-N 419.549 3.984 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N3CCC(C)CC3)C2=O)c1 5370688 HCSLBRGEUYHNQQ-JXAWBTAJSA-N 418.584 3.935 10 40 HHCB COc1ccc(N2CCOCC2)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 7496667 OFEYYSRMSXAAPX-UHFFFAOYSA-N 404.894 3.981 10 40 HHCB COc1cc(/C=C2\SC(=S)N(c3cccc(O)c3)C2=O)cc(OC)c1OC 13750939 JUMVZQONBHNLNO-SXGWCWSVSA-N 403.481 3.824 10 40 HHCB Cc1cccc(OCC2=NN3C(=N)/C(=C/c4cccc([N+](=O)[O-])c4)C(=O)N=C3S2)c1 33309217 WQZCNKGDVNDMQB-RVROMCMOSA-N 421.438 3.601 10 40 HHCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccccc1Cl 33729095 OPTKPHCZJRICAC-UHFFFAOYSA-N 419.820 3.911 10 40 HHCB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(O)=NC2=S)cc1 59138117 OZEUNMQFTYEQKQ-GHRIWEEISA-N 411.483 3.950 10 40 HHCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC(=O)O 408902145 KVQDANLMWJVPBO-OVCLIPMQSA-N 400.818 3.618 10 40 HHCB CC1CCN(c2ccc([C@@H](C)NC(=O)CCn3cnc4ccccc4c3=O)cc2)CC1 19661757 FBHODOXEWMMRPH-LJQANCHMSA-N 418.541 3.900 10 40 HHCB COc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1[N+](=O)[O-] 409332881 SLWUNCTYFHOMIY-FRKPEAEDSA-N 416.436 3.738 10 40 HHCB C[C@@H]1Cc2cccc(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)c2O1 1516256947 RQNLQDHMWLMABL-CQSZACIVSA-N 420.431 3.795 10 40 HHCB COc1ccc(-c2ccc(CCC(=O)O)n2CC(=O)Nc2cccc(OC)c2)cc1 6811733 WWRJTXLRXSSRCD-UHFFFAOYSA-N 408.454 3.828 10 40 HHCB COc1ccc(N2CCN(C(=O)Cc3csc(Nc4ccccc4)n3)CC2)cc1 16849996 WGRBAXQMGNKFOX-UHFFFAOYSA-N 408.527 3.787 10 40 HHCB COC(=O)C1=CN(c2ccc(Br)cc2)c2cc(F)ccc2S1(=O)=O 64979205 WVJCGHHJYDSPBW-UHFFFAOYSA-N 412.236 3.528 10 40 HHCB O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1CCN1CCOCC1 96930788 DHNQTACPSUDZSB-GXDHUFHOSA-N 403.356 3.527 10 40 HHCB CCOC(=O)[C@H](C)n1c(C)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 107745814 UYXWADBDGLJQJG-IEOAWGNMSA-N 417.465 3.535 10 40 HHCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 409010870 FUYRROJUWVMDNT-OKHBPPCESA-N 415.423 3.633 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(OC)c1 409111707 BUJOECJUJSKMKR-XYOKQWHBSA-N 421.236 3.677 10 40 HHCB CCN(CC)C(=O)Cn1cc(/C=C2\SC(=S)N(CC)C2=O)c2ccccc21 409136908 VLWLNVFNUQYFPA-BOPFTXTBSA-N 401.557 3.731 10 40 HHCB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)c(C)c2)C1=O 409212968 RVJDWUPFMUMQGZ-AQTBWJFISA-N 401.532 3.548 10 40 HHCB CC1=C(C(=O)O[C@@H]2CC[C@H](C)[C@@H](C)C2)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 4043390 MHCSVBLIICKDAJ-UQFOYQTNSA-N 401.576 3.913 10 40 HHCB N=C1/C(=C/c2ccc(O)c(O)c2)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN12 5185549 GOHWFRFDHBKQHJ-FYZBCYFQSA-N 412.858 3.613 10 40 HHCB Cc1ccc(S(=O)(=O)N2CCCN(Cc3c(O)ccc4ccccc34)CC2)cc1 9548586 NULJRFGKZKJIST-UHFFFAOYSA-N 410.539 3.750 10 40 HHCB Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)NC1=S 409232821 SHIRHZHFGSPWSI-QGOAFFKASA-N 405.454 3.756 10 40 HHCB Cc1ccc(N2NC(=O)/C(=C/c3cc(O)ccc3Br)C2=O)cc1Cl 5795328 UORXSGIKALHNMD-QPEQYQDCSA-N 407.651 3.578 10 40 HHCB Cc1cc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)n2C)no1 6973049 BNGPPLDXGOUGQH-UHFFFAOYSA-N 407.293 3.877 10 40 HHCB CCc1nnc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)s1 9804787 DTTRGWAWIAUCJD-UHFFFAOYSA-N 414.472 3.536 10 40 HHCB CCN1CCN(Cc2c(O)ccc3oc(C)c(C(=O)Nc4ccc(OC)cc4)c23)CC1 19794025 YUPQAKKOGDYHHQ-UHFFFAOYSA-N 423.513 3.845 10 40 HHCB COC(=O)c1ccc(CNCc2c(O)c(Cl)cc3c4c(c(=O)oc23)CCC4)cc1 20589991 MHBWHCNMTCBICI-UHFFFAOYSA-N 413.857 3.717 10 40 HHCB Cc1c(N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 11617262 ZCYIPBYVUVEZEW-SFQUDFHCSA-N 423.519 3.596 10 40 HHCB CCN(CC)c1ccc(N/C=C2/C(=O)N(C)C(=S)N(c3ccccc3)C2=O)cc1 101345813 ZGWJKCSRMIEVAQ-CYVLTUHYSA-N 408.527 3.619 10 40 HHCB CCOc1cc(N2CCOCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222597266 YYCKGQBDOPMFST-KNXBSLHKSA-N 424.570 3.906 10 40 HHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccncc4)c3C)C2=O)c1 408964972 JGBOCJLQPHVMGF-FYJGNVAPSA-N 414.465 3.772 10 40 HHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccccc2C)C1=O 409234167 MVHVYYHDGLJKTK-OBGWFSINSA-N 415.449 3.851 10 40 HHCB CCN1C(=O)/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)C(=O)NC1=S 409392357 PEYDADXSEXAQAC-XDHOZWIPSA-N 403.507 3.645 10 40 HHCB CCOc1cc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)ccc1O 5373081 MYICVWRSPGOSLK-HKWRFOASSA-N 409.511 3.583 10 40 HHCB CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3CC4)c2C(=O)OC)C1 102345067 FPUNATGJXAZBLG-HVCLXXKLSA-N 417.527 3.901 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OCC 408783387 OLRUXDSWRAFCRK-LDADJPATSA-N 408.454 3.767 10 40 HHCB O=C(O)CN1C(=O)/C(=C/c2ccc(COc3cccc(Cl)c3)o2)SC1=S 17088365 CVFDAJJBMHJKPF-AUWJEWJLSA-N 409.872 3.798 10 40 HHCB COc1ccc([C@@H](CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)NC(C)=O)cc1 27157266 IEHAWRBBMYZYFQ-XMMPIXPASA-N 423.557 3.911 10 40 HHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C2=O)cc1 408858410 PBOZOLDCDXWOAG-CPNJWEJPSA-N 421.840 3.806 10 40 HHCB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1 7990471 DQMKMFXRIBJEMU-CYBMUJFWSA-N 403.390 3.547 10 40 HHCB Cc1ccnc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)c2C)c1 409093778 BHRNMAYRVNSYPA-LICLKQGHSA-N 413.499 3.785 10 40 HHCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(F)c(N3CCCC3)cc2C)C1=O 6206366 ORSWGLUQTJTSHB-VVBXCHJUSA-N 406.479 3.722 10 40 HHCB O=C(C1=CN(c2cccc(F)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1 49003866 DCHQVSTYPFVRPZ-UHFFFAOYSA-N 406.866 3.868 10 40 HHCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc3ncccc3c2)SC1=S 51330869 QVVJPHMEWMDWLW-QTNMRXCUSA-N 404.538 3.642 10 40 HHCB O=S(=O)(Nc1ccccc1C1=NCCc2ccccc21)c1cccc2nsnc12 3109197 NCERKRZMVSTYOM-UHFFFAOYSA-N 420.519 3.886 10 40 HHCB CCCCc1nnc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)s1 8820220 NKYCHTYZVBHFEY-DHZHZOJOSA-N 424.598 3.782 10 40 HHCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)C(O)=NC1=S 9012605 DJPAWGWQVLRQBD-MHWRWJLKSA-N 412.471 3.798 10 40 HHCB COC(=O)c1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C(=O)O)c3)C2=O)cc1 35648669 OVOJVNQXAMQLKY-CXUHLZMHSA-N 413.476 3.886 10 40 HHCB O=C(NN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S)c1cccnc1 1269242 QRCFJGBBYVJWBL-QPEQYQDCSA-N 410.307 3.935 10 40 HHCB CN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc1 4271886 RGQMJIUVVRZKCN-SXGWCWSVSA-N 400.481 3.562 10 40 HHCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OC 96505299 FLSBREKMEQMTQN-SFQUDFHCSA-N 414.508 3.640 10 40 HHCB CC(C)c1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1 102732629 TWNKUBVWGXNOBD-ZTPJVXOPSA-N 423.542 3.832 10 40 HHCB C/C(NCc1cccnc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 112287337 PYWVNFTVWCYWMF-PGMHBOJBSA-N 413.437 3.805 10 40 HHCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N(C)C 408534346 QLQZSHVDVYDMPV-UVTDQMKNSA-N 410.865 3.706 10 40 HHCB Cc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2C)C1=O 408740025 CNRLBTHZPATINW-XNTDXEJSSA-N 415.312 3.897 10 40 HHCB Cc1cc(C(=O)Oc2ccc(/C=C3/SC(=S)NC3=O)cc2)cc([N+](=O)[O-])c1 5201148 PEXDPSAYRKEFES-OVCLIPMQSA-N 400.437 3.611 10 40 HHCB COc1cc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)cc(OC)c1OC 5348396 SDXVLNOXUFNZCF-UHFFFAOYSA-N 423.465 3.972 10 40 HHCB Cc1ccccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c1C 13496677 TXYAVTAGJAIFOI-UNOMPAQXSA-N 403.438 3.658 10 40 HHCB Cc1cc(-c2csc(NC(=O)[C@H]3COCCO3)n2)c(C)n1-c1ccc(F)cc1 30601775 ZPLSEQMKZZWIKC-GOSISDBHSA-N 401.463 3.711 10 40 HHCB CC(=O)O[C@H](CCc1ccc(O)cc1)C[C@@H](CCc1ccc(O)c(O)c1)OC(C)=O 72181388 PBCHINDGXDDCEA-NHCUHLMSSA-N 416.470 3.622 10 40 HHCB biogenic CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc1 107620610 WAFGMVYLYXYCCE-CYVLTUHYSA-N 415.559 3.972 10 40 HHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C 223017514 YZASYEPMEJUUJF-VXKWHMMOSA-N 421.570 3.811 10 40 HHCB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(COCC(C)C)c3)CC2)cc1 224453410 BXZYIKDTBYBMSR-UHFFFAOYSA-N 412.530 3.839 10 40 HHCB Cc1cc(C)cc(COc2ccc3ccccc3c2C=C2C(=O)NC(=S)NC2=O)c1 408891249 NLBHXQOJSVVLRW-UHFFFAOYSA-N 416.502 3.950 10 40 HHCB COc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)ccc1OCc1ccc(C)cc1 9187889 FHRSNABOVWXTHB-STZFKDTASA-N 424.522 3.885 10 40 HHCB CCOC(=O)[C@@H](C)n1c(C)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 107745805 UYXWADBDGLJQJG-ZHTGWBIJSA-N 417.465 3.535 10 40 HHCB O=C1/C(=C/c2ccco2)SC(=S)N1CC(=O)N1CCCC[C@H]1c1cccnc1 5348755 OBEUVMLWQNEILI-FDIDWWNZSA-N 413.524 3.630 10 40 HHCB biogenic O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)SC1=S 15011887 UTFKQRYZCLNRNP-AWNIVKPZSA-N 423.855 3.584 10 40 HHCB COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1 409342013 BAKTZNAWBKIPIO-REZTVBANSA-N 401.465 3.838 10 40 HHCB CCc1ccccc1-n1c(C)cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c1C 27572671 WHYCMJDLUYLOPW-LICLKQGHSA-N 400.525 3.942 10 40 HHCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408913141 LDFLKWKHNZWOFP-BOPFTXTBSA-N 421.340 3.660 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 2281490 QFDPJJVKNUPVJL-MHWRWJLKSA-N 404.344 3.771 10 40 HHCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(Br)cs3)C(=O)NC2=S)c1 9260382 URFMZXWGESLYRZ-VGOFMYFVSA-N 421.341 3.959 10 40 HHCB COc1ccc(Cl)cc1/C=C1\C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)N=C1O 16226483 SCVXARVXEVFSGK-ZSOIEALJSA-N 401.762 3.764 10 40 HHCB O=C1N=C(S)N(c2cccc3ccccc23)C(=O)/C1=C/NCCc1ccccc1 102561766 PLSQXGOCGXJCOF-XDJHFCHBSA-N 401.491 3.715 10 40 HHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccccc1Cl 409388987 ACYGCYCPFXKACQ-SFQUDFHCSA-N 420.856 3.809 10 40 HHCB COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(Br)cc3)CC2)cc1 57548039 WFFWXEVNCVWGDA-HNNXBMFYSA-N 418.335 3.607 10 40 HHCB COc1ccc(C2=C/C(=C\c3cc(OC)c(OC(C)=O)c([N+](=O)[O-])c3)C(=O)O2)cc1 408741574 JSNNMUYIGVCGOY-OVCLIPMQSA-N 411.366 3.519 10 40 HHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccccc2F)C1=O 409242641 RXUQJECMZVKZQQ-JQIJEIRASA-N 419.412 3.682 10 40 HHCB COc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O 15013464 AQRKYPPGOMXWDX-GDNBJRDFSA-N 400.887 3.797 10 40 HHCB CCOc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1O 3858714 NPDRZWBEZOVSKR-BXODQFHZSA-N 406.467 3.767 10 40 HHCB O=S(=O)(c1cccc(Cl)c1)N1CCN(Cc2c(O)ccc3ccccc23)CC1 23383443 UJGLCDQJTOHQMT-UHFFFAOYSA-N 416.930 3.705 10 40 HHCB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)c2C)cc1C 12608634 QYJYKZSGOYGSSV-UHFFFAOYSA-N 422.506 3.738 10 40 HHCB Cc1ccc(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c(C)c1 5681706 KNJZZTOUHCAVGH-UHFFFAOYSA-N 413.429 3.874 10 40 HHCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 408938724 RFXXOPWMTJMUIG-STZFKDTASA-N 414.417 3.638 10 40 HHCB CCCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCC2 5793546 HRLXEJZZCIFVET-KNPMLCFXSA-N 405.516 3.879 10 40 HHCB COc1ccc(C2(NCc3ccc(O)c(CN4CCN(C)CC4)c3)CCCC2)cc1 19590062 XJBJCEMCYTWIQC-UHFFFAOYSA-N 409.574 3.707 10 40 HHCB CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(=O)N(C)C1=O 1034720 YXKHJADNCJVNDW-UHFFFAOYSA-N 420.856 3.627 10 40 HHCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nnnn1-c1ccccc1 9516312 FDQWDUDHQQZPIN-UHFFFAOYSA-N 420.498 3.609 10 40 HHCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1C 408786395 JGCXBVZXJPPHAD-NTUHNPAUSA-N 408.310 3.780 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cccc(Cl)c1Cl 12634305 JNYIXASKGJMFCG-UHFFFAOYSA-N 415.342 3.651 10 40 HHCB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCC(N)=O)c(Cl)c3)S2)cc1 6267019 KNJLVGAYVMJRSW-SXGWCWSVSA-N 401.875 3.595 10 40 HHCB O=C(COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)Nc1cccnc1Cl 9983595 IUWAEFAXNMZHAC-UHFFFAOYSA-N 422.824 3.596 10 40 HHCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc3c(c2)CCCN3C)SC1=S 102735121 LPMHWPBUPFMTRI-FEEIMYBTSA-N 404.557 3.770 10 40 HHCB CCN(CC)c1ccc(CN(C(=O)c2cccc(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 27745093 OHRJEELQIJHJHM-JOCHJYFZSA-N 414.571 3.671 10 40 HHCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)N2CCCC2)cc1 6517570 FJKKGIYVDZUNMO-VJTSUQJLSA-N 413.606 3.823 10 40 HHCB biogenic COc1ccc(N2CCN(CC(=O)Nc3nc4cc(C)c(C)cc4s3)CC2)cc1 37100475 LAKSYBAVRNFDID-UHFFFAOYSA-N 410.543 3.682 10 40 HHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC)c3ccccc23)C1=O 409225021 JJKZNTQOMCPKDR-NBVRZTHBSA-N 416.433 3.914 10 40 HHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c[nH]c4ccc(Br)cc34)C2=O)c1 9892470 SRGLCJHKCFUSND-LZYBPNLTSA-N 424.254 3.905 10 40 HHCB CCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)[C@@H](C)CC)C2=O)cc1OC 5373723 ONNTXQSECPYIES-ACLOWREXSA-N 409.529 3.794 10 40 HHCB COCCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N1CCCC1 44085909 KYBALLILRMHZHB-UHFFFAOYSA-N 424.364 3.674 10 40 HHCB Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1 7130737 PKOJJTJTHPJKBK-UHFFFAOYSA-N 406.511 3.710 10 40 HHCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(C)n1-c1ccccc1 8131327 MYUGICUAHJSUMS-RUZDIDTESA-N 413.477 3.670 10 40 HHCB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(OC)ccc1OC 58883992 AQABOWKAPWYRAS-UNOMPAQXSA-N 409.438 3.590 10 40 HHCB Cc1cccc(-n2c(C)cc(C(=O)N3CCOC[C@H]3C[C@@H](O)c3ccco3)c2C)c1 84213258 RIANNMQXOOMHFC-IFMALSPDSA-N 408.498 3.960 10 40 HHCB COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)cc1 223635829 RZLJYLVAZVRDDZ-VXKWHMMOSA-N 422.554 3.544 10 40 HHCB COc1cccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)c1OCC(=O)O 409335122 YWRDAEJZVFMVQA-MHWRWJLKSA-N 415.492 3.873 10 40 HHCB CCCCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC 112125567 VBEFPSWBEPDVQK-AQTBWJFISA-N 400.504 3.616 10 40 HHCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1Cl 408781629 DBUFRNSDKUHCHU-QPEQYQDCSA-N 407.278 3.833 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(Oc2nc(Cl)ncc2F)cc1 2174739 YQWOSCWTZHEBGP-XNTDXEJSSA-N 410.792 3.523 10 40 HHCB O=C(COC(=O)/C=C/c1ccccc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 5020805 MNJJBVZBKOVVNK-JLHYYAGUSA-N 411.413 3.657 10 40 HHCB Cc1ccc([C@H](c2ccccc2O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 12939019 KQRSUJLLHDIRQM-XMMPIXPASA-N 422.550 3.797 10 40 HHCB COc1ccc(N2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 26110937 QAEXIOGONDXBPW-UHFFFAOYSA-N 415.342 3.654 10 40 HHCB CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1Cl 107981152 FUNYSVSBFHZQAD-UHFFFAOYSA-N 419.865 3.618 10 40 HHCB CCOc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(C)=C2C(=O)OC)cc1 408584119 LTYOKTBDAXOWFP-UYRXBGFRSA-N 408.410 3.871 10 40 HHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1N1CCCCC1 408909622 HQNXGBQWFOTXNK-CPNJWEJPSA-N 407.445 3.791 10 40 HHCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)cc2F)C(=O)NC1=S 409237466 URUWRSPVGDWGIH-SFQUDFHCSA-N 409.486 3.566 10 40 HHCB COc1ccc2nc(/C=C3/SC(=S)N([C@@H](C(=O)O)C(C)C)C3=O)ccc2c1 32051728 SXSLAJFRSAEVDU-HTRKUNOGSA-N 402.497 3.554 10 40 HHCB COc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)cc1 41076739 TYNJPKWWVKKUQA-DXGGMCDASA-N 417.450 3.746 10 40 HHCB COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)C(C)C)CC2)cc1 97546846 KYPZNYQKXAMDOM-DYESRHJHSA-N 401.576 3.781 10 40 HHCB COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)cc1 222765430 YBHJBKOZDJMSCJ-RTWAWAEBSA-N 420.538 3.878 10 40 HHCB Cc1cc(C)cc(N2C(=O)/C(=C/c3c(C)n(C)c4ccccc34)C(=O)NC2=S)c1 408817258 VNGVAIODNFEPOE-XDHOZWIPSA-N 403.507 3.935 10 40 HHCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c1C 409129214 JADPQWUEOAZBNL-FRKPEAEDSA-N 420.874 3.877 10 40 HHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 24207832 ALALAJXRZYJCCN-UHFFFAOYSA-N 419.525 3.712 10 40 HHCB COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4Cl)nn3C)CC2)cc1 35276481 UELIJGJWCGOTLL-UHFFFAOYSA-N 410.905 3.712 10 40 HHCB O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)SC1=S 28294357 SPGXQUKIIRUZGI-QPEQYQDCSA-N 406.466 3.609 10 40 HHCB Cc1ccccc1N1C(=O)/C(=C/c2cc(Br)cs2)C(=O)NC1=S 409239987 PCKABNBSXSKHBH-KPKJPENVSA-N 407.314 3.650 10 40 HHCB CC[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] 34839645 KLMVZMKOXICUSW-KPENOIPVSA-N 415.833 3.887 10 40 HHCB O=C(C1=CN(c2ccc3c(c2)CCC3)c2cc(F)ccc2S1(=O)=O)N1CCCC1 48988599 MZQHOSKGOHUOBU-UHFFFAOYSA-N 412.486 3.704 10 40 HHCB COc1ccc(N2CCN(C(=O)CCN[C@H](c3cccs3)C(C)C)CC2)cc1 32776753 QYFVXFCWVFJKCH-QFIPXVFZSA-N 401.576 3.782 10 40 HHCB CCc1ccc(/C=C2\SC(=S)N(CC(=O)NCCc3ccccc3)C2=O)cc1 12032416 ACFPMKCRKDYHIC-RGEXLXHISA-N 410.564 3.809 10 40 HHCB CCOC(=O)C(=CNc1ccc(Cl)cc1C(=O)c1ccccc1)C(=O)OCC 3049617 LBAFHZJWIVYCGC-UHFFFAOYSA-N 401.846 3.993 10 40 HHCB COc1ccc(N2CCN(C[C@@H](O)CCO[C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)CC2)cc1 104489331 AJDHPXQJIJMMJH-RIPRBREISA-N 416.606 3.800 10 40 HHCB O=C1NNC(c2ccccc2)=N/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 3066305 QRTBDEVRWUZRFP-CJLVFECKSA-N 405.461 3.961 10 40 HHCB COc1ccc(NCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 4571418 ABLHTBMUUVAVNQ-RQZCQDPDSA-N 400.481 3.695 10 40 HHCB COc1ccc(N2CCN(c3nccn4nc(-c5cccc(OC)c5)cc34)CC2)cc1 67284887 JHBZIHAPGBRJQS-UHFFFAOYSA-N 415.497 3.740 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Cl)cc1OC 408856390 IBXLCVBZRSTCIK-RIYZIHGNSA-N 418.808 3.553 10 40 HHCB COCCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(C)c3)c2C)C(C(=O)OC)=C1C 409057772 MDDDUXNBRHOJAV-STZFKDTASA-N 408.498 3.722 10 40 HHCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N4CCOCC4)cc3OC)N21 260778155 REWSSYDPRMTTMP-XGRCMKMKSA-N 424.570 3.906 10 40 HHCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(C)C 408866915 JCRDPJZAZUWPFI-PTNGSMBKSA-N 412.417 3.678 10 40 HHCB Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)Nc3c(F)cccc3F)sc2n1 12552914 YFTWFSZVRKZAQK-SNVBAGLBSA-N 405.426 3.958 10 40 HHCB COc1ccc(N2CCN(C(=O)CCCc3nc(-c4ccc(C)cc4)no3)CC2)cc1 15670012 OLGQJTLQSKUZDP-UHFFFAOYSA-N 420.513 3.725 10 40 HHCB Nc1ccc(S(=O)(=O)Nc2nccs2)cc1/N=N/c1ccccc1[N+](=O)[O-] 17146632 JJVRPICUGFLOHL-VHEBQXMUSA-N 404.433 3.850 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC 408810255 LVHFMWIOYHHVLS-KPKJPENVSA-N 421.236 3.677 10 40 HHCB O=C1NC(=S)NC(=O)C1=Cc1cn(Cc2ccc3ccccc3c2)c2ccccc12 409217013 QRZAZNSHLMPKHS-UHFFFAOYSA-N 411.486 3.757 10 40 HHCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)NC2=S)c1 409236538 RUZGCMOCIGYAPL-XMHGGMMESA-N 401.491 3.925 10 40 HHCB COc1ccc(N2C[C@@](O)(c3ccc(Br)cc3)[N+]3=C2SCCC3)cc1 2921934 RPHBRNMVYRRLOM-LJQANCHMSA-N 420.352 3.628 10 40 HHCB CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(N(C)C)c([N+](=O)[O-])c3)C2=O)cc1 8809635 FWAZZUKXLHVCFM-LFIBNONCSA-N 424.413 3.566 10 40 HHCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=N)N2O1 41078312 QTPZPWUWNIJQAA-AJNDAPIGSA-N 404.382 3.624 10 40 HHCB O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(Cl)ccc1O 71816292 PSYXGBZHIUJMSD-UHFFFAOYSA-N 414.811 3.831 10 40 HHCB O=C1C[C@H](c2ccncc2)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96114171 MJTFGJNFTZONSL-CQSZACIVSA-N 401.374 3.707 10 40 HHCB biogenic O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 107824003 CVNSVYHMRISBBP-STZFKDTASA-N 415.405 3.635 10 40 HHCB CN1CCc2cc([C@@H](CNC(=O)COc3ccc(F)cc3)N3CCCCC3)ccc21 13007829 QUSJOGXMHAAQPG-HSZRJFAPSA-N 411.521 3.540 10 40 HHCB COc1cc(/C=C2/SC(N3CCN(c4ccccc4C)CC3)=NC2=O)ccc1O 15401546 ZGKPIKRLSRTZPA-XSFVSMFZSA-N 409.511 3.502 10 40 HHCB CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 29478910 NBAGXJZWVOZRJT-NRFANRHFSA-N 421.566 3.814 10 40 HHCB CC(C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 408804363 DYBSYJNPPRVJAQ-DEDYPNTBSA-N 416.433 3.999 10 40 HHCB COc1ccccc1N1C(=O)/C(=C/c2ccc(OC)c3ccccc23)C(=O)NC1=S 409167090 JHSUCEQECKEMSV-GHRIWEEISA-N 418.474 3.688 10 40 HHCB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1ccc(O)c(O)c1 1278321 PKTIONATOPTZAV-UHFFFAOYSA-N 407.451 3.973 10 40 HHCB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@@H]2C1=O 4981570 VXCHZEGCOJVBAY-BDTNDASRSA-N 400.434 3.752 10 40 HHCB COc1cc2c(cc1OC)CN(C(=O)CSc1ncc(-c3ccccc3)n1C)CC2 6653218 GGLXRUOKYAQPNB-UHFFFAOYSA-N 423.538 3.781 10 40 HHCB CC1(C)[C@H]2CC[C@]1(C)[C@H](N/C=C1/C(=O)NC(=O)N(c3ccc(Cl)cc3)C1=O)C2 35430856 RWBUMSZPGMQAES-HHUWUSPPSA-N 401.894 3.611 10 40 HHCB COc1cc(/C=C2/SC(=S)N([C@H](CC(=O)O)c3ccccc3)C2=O)ccc1O 35624318 RIRGBKAZVBXSCD-NGWPFTMJSA-N 415.492 3.818 10 40 HHCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1c(C)n(C)n(-c2ccccc2)c1=O 95471588 LLUHYXWKNBNWEI-UYRXBGFRSA-N 421.888 3.856 10 40 HHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)c1 409095144 GXPZJXFTJUNTPK-LDADJPATSA-N 407.445 3.709 10 40 HHCB N=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 41084280 GIZSWLZPUIRQPQ-TVWPWEFYSA-N 418.265 3.761 10 40 HHCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)cc3OC)N21 222691442 REWSSYDPRMTTMP-KNXBSLHKSA-N 424.570 3.906 10 40 HHCB CC(C)CN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCOCC2)SC1=S 20310797 NZAFRXPQKGEYGK-PDGQHHTCSA-N 413.568 3.929 10 40 HHCB Cc1csc(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)n1 5370816 KVHIWIPYNOHXOA-AYPDRCFHSA-N 401.538 3.848 10 40 HHCB CCOC(=O)CN1C(=O)S/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)C1=O 208445701 MSGLGOUOQJWGEI-LICLKQGHSA-N 400.500 3.918 10 40 HHCB CCOc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccccc3O)C[C@@H]21 10214491 RGAZSWSIIDVHIY-FQEVSTJZSA-N 421.497 3.673 10 40 HHCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(Br)cc3)S2)CC1 1184449 GRZYKPWXXSCZEH-PTNGSMBKSA-N 423.332 3.695 10 40 HHCB COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCC1 8963273 ZWHKOTUESUUEDC-OAQYLSRUSA-N 413.949 3.908 10 40 HHCB CCN(CC)c1ccc(CN(C)C(=O)Cn2c(S)nnc2-c2cccs2)cc1 9932567 WZSNSEXQBMUUCX-UHFFFAOYSA-N 415.588 3.800 10 40 HHCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc(O)cc1 27530577 SVKJOONZZVJSDN-LFIBNONCSA-N 402.472 3.761 10 40 HHCB CCN1C(=O)/C(=C\C=C2/N(CC)c3ccc(C(=O)OC)cc3N2CC)SC1=S 100199133 VMLZLEDYNYOZAK-OTYYAQKOSA-N 417.556 3.745 10 40 HHCB CCCCN1C(=O)[C@H]2ON(c3ccccc3C)[C@@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O 100799410 UUVFPIFGOGYEQR-FKBYEOEOSA-N 407.514 3.708 10 40 HHCB O=c1ccc2ccc(O)c(CN3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@H]56)[C@H]43)c2o1 526052537 MJNBWCXFQYNSNU-HSJYVMOXSA-N 406.526 3.894 10 40 HHCB CCc1cccc2c(/C=C3/C(=O)Nc4ccccc43)cn(CC(=O)N3CCOCC3)c12 3646625 DXINPCDJPMTOGH-KGENOOAVSA-N 415.493 3.555 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(CCc3ccc(O)cc3)C2=O)c(OC)c1 10232921 JOTYBUTWKMOKDC-WQRHYEAKSA-N 401.509 3.853 10 40 HHCB COc1cc(OC)c(OC)cc1/C=C1/C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O 33319632 AVMUPKVMGMDAJC-RIYZIHGNSA-N 416.817 3.873 10 40 HHCB CCN(CC)CCN[C@H](CC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)C(=O)O 101090852 XGSYNUUIKPIDBT-ZELGORGJSA-N 411.506 3.815 10 40 HHCB COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2F)SC1=S 409203756 XUOCKZXWHKGHTK-YVLHZVERSA-N 417.483 3.779 10 40 HHCB COc1ccc2c(c1)c(/C=C1\SC(=S)N(CCCC(=O)O)C1=O)c(C)n2C 6660542 VKJNXPLFHOYUHK-YBEGLDIGSA-N 404.513 3.561 10 40 HHCB COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)O 9188521 AJQHIJXQZLYGOY-SXGWCWSVSA-N 419.455 3.704 10 40 HHCB COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1 15008534 PBJXRSZZFWDKOJ-CAOOACKPSA-N 401.465 3.838 10 40 HHCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/c1cccc([N+](=O)[O-])c1 35043532 FCLQWZIDRUWLLC-QGOAFFKASA-N 412.446 3.526 10 40 HHCB COC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCCCC2 102345299 ZJKRRHWEUHXNHV-RKLWJJNISA-N 403.500 3.655 10 40 HHCB COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)cc1 223635739 RZLJYLVAZVRDDZ-YADHBBJMSA-N 422.554 3.544 10 40 HHCB O=C1/C(=C\c2cccs2)SC(=S)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8870250 YMSGSQDOPMMNOO-KPKJPENVSA-N 408.442 3.793 10 40 HHCB CCCC(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1 23181521 WPYMFTFXUDYVDQ-JTSKRJEESA-N 401.576 3.925 10 40 HHCB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@H]2C1=O 100901325 VXCHZEGCOJVBAY-FSSWDIPSSA-N 400.434 3.752 10 40 HHCB CCCN1C(=O)/C(=C\c2ccc(OCC(=O)OC(C)C)c(OC)c2)SC1=S 408600900 GUJISIIQXYPRCB-MHWRWJLKSA-N 409.529 3.637 10 40 HHCB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 408807902 IHUZSBVLOFPCQN-CPNJWEJPSA-N 402.406 3.611 10 40 HHCB COc1ccc(/C=C2/C(=O)N(c3ccccc3C)C(=S)N=C2O)c(OC)c1OC 2590860 SLAKFHCLGSJLKY-SDNWHVSQSA-N 412.467 3.692 10 40 HHCB CC(C)N1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O 4171772 JRJLYCYGHKJFHH-ZCNNSNEGSA-N 413.905 3.661 10 40 HHCB COC(=O)c1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1 4425607 UJPLFXGXUVKMGC-UVQBRAAOSA-N 413.476 3.500 10 40 HHCB CN(C)c1ccc([C@@H](CNC(=O)c2cccc3ccccc23)N2CCOCC2)cc1 22664837 YDYGTBWPELXOQL-XMMPIXPASA-N 403.526 3.709 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OC 409130530 ILQITVMVTWVGPE-LFIBNONCSA-N 410.495 3.542 10 40 HHCB CCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)OC)c(Cl)c2)SC1=S 409369271 AKDWUMJPDNWJFZ-WDZFZDKYSA-N 406.312 3.766 10 40 HHCB COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)O 2203854 CUTVSVKPVSKODQ-MHWRWJLKSA-N 401.465 3.564 10 40 HHCB COc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)CC2)cc1 5865689 GTYQMDWASGNRQX-UHFFFAOYSA-N 424.501 3.556 10 40 HHCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2ccccc2)cc1 408948275 FGAVRODNUJXWJK-XDHOZWIPSA-N 412.401 3.749 10 40 HHCB Cc1ccc(OCCOc2ccccc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 6030170 RWRIIZZYPRXGBX-OQKWZONESA-N 414.461 3.914 10 40 HHCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 408896322 XWKUTQIXNHQDPE-BOPFTXTBSA-N 408.410 3.789 10 40 HHCB COC(=O)c1ccc([C@@H]2Nc3ccc(C(=O)NCCC(=O)O)cc3[C@@H]3C=CC[C@H]32)cc1 14944365 XFZYFNFEFFKRCP-HMFYCAOWSA-N 420.465 3.504 10 40 HHCB CCCNC(=O)[C@H](C)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 40050257 FSXAAPDFDOLIBN-ZDUSSCGKSA-N 406.324 3.501 10 40 HHCB O=C1/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1Cc1ccccc1 9420427 DJWDIJVFQBTSNN-QGMBQPNBSA-N 422.487 3.658 10 40 HHCB COc1cc(/C=C2/C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1O 16195034 KNNPIEJBISTWKX-WMZJFQQLSA-N 413.644 3.822 10 40 HHCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCC(=O)O 100147723 DQYUYMBPUDGCMC-MHWRWJLKSA-N 415.243 3.719 10 40 HHCB O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)Nc1nccs1 924825 HEVWJOHPTZRSFI-HNNXBMFYSA-N 400.529 3.916 10 40 HHCB CCOC(=O)c1c(NC(=O)[C@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)sc2c1CCCC2 100834688 HBRHOWIYIMLVAF-VXKWHMMOSA-N 417.527 3.707 10 40 HHCB CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(Br)cc2Cl)cc1 7146400 DDDFRCBYDDNVBN-UHFFFAOYSA-N 417.756 3.989 10 40 HHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1O 223617896 PFCOBVJFZIJLIZ-FGZHOGPDSA-N 422.554 3.550 10 40 HHCB COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c1OC 16661711 VMBSXQIFMSBINB-LFIBNONCSA-N 414.508 3.558 10 40 HHCB CN1CCCc2cc([C@H](CNC(=O)c3ccccc3Cl)N3CCOCC3)ccc21 16838331 AAQWBVHPJIOPDP-QFIPXVFZSA-N 413.949 3.526 10 40 HHCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1cccc(Cl)c1 408553418 YWVVKIRPYNMKCX-WQLSENKSSA-N 410.257 3.876 10 40 HHCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(Cl)cc1 409231042 HWEGBZQIYYKMHG-ODLFYWEKSA-N 420.856 3.809 10 40 HHCB Cc1cc(CN2CCN(S(=O)(=O)c3cccs3)CC2)c(O)c(C(C)(C)C)c1 49573952 AXIZIDCDPGTIAI-UHFFFAOYSA-N 408.589 3.566 10 40 HHCB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(OC)cc1OC 408981258 AIPFHCQYLSKDCG-ODLFYWEKSA-N 409.438 3.590 10 40 HHCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 409212217 QCQFETUPRWIWRE-KPKJPENVSA-N 406.181 3.568 10 40 HHCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(C(=O)O)c1 8820362 JCRLKNIFHXGTFJ-BJXWFGTRSA-N 424.503 3.781 10 40 HHCB COc1ccc(OC)c(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c1 1240129 YJHDOJNSKXWQFT-YBEGLDIGSA-N 401.465 3.808 10 40 HHCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)COc2ccc(Cl)cc2)cc1 6747927 LZZKRAOLSZYSRI-OAQYLSRUSA-N 402.922 3.993 10 40 HHCB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OC(=O)c1ccc(OC)cc1 408889586 FROOIHSVPDNABP-BOPFTXTBSA-N 415.492 3.802 10 40 HHCB CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1 408873486 UTHWLJFVIQEMPI-MHWRWJLKSA-N 415.243 3.514 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1 34714306 LYCUQSCFKFVWGI-ZHZULCJRSA-N 415.405 3.635 10 40 HHCB COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)ccc1C 225369535 SJHWLPMCLJABJZ-QGZVFWFLSA-N 416.543 3.811 10 40 HHCB O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc2c(c1)OCO2 96234379 FNLSSUZGJKCDAC-VZUCSPMQSA-N 421.261 3.553 10 40 HHCB CCCCC1CCC(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 58431938 DVDGYGPRFNYXSE-VEDCXYSMSA-N 414.594 3.937 10 40 HHCB Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)C2=O)cc1C 8767623 PMSNRRWXVPZWRC-DZBQEORWSA-N 408.410 3.662 10 40 HHCB CCc1ccccc1N/C=C1/C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O 408551234 MQICPTCBQPKUQX-RAXLEYEMSA-N 403.866 3.785 10 40 HHCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NCCc1ccccc1 4745296 QWEKLEDCUAYKQO-NBVRZTHBSA-N 414.527 3.776 10 40 HHCB COc1ccc(N(Cc2ccc(N(C)C)cc2)S(=O)(=O)c2c(C)noc2C)cc1 7278527 RKCGKANMHHRHCI-UHFFFAOYSA-N 415.515 3.762 10 40 HHCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)C1=O 9260120 JPRBGTHSVYYIML-OVCLIPMQSA-N 424.254 3.905 10 40 HHCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 409216474 LMMKULLVCJDGGE-KPKJPENVSA-N 406.181 3.568 10 40 HHCB COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1O 409332540 QDEHXZUASJZQRE-FRKPEAEDSA-N 417.464 3.544 10 40 HHCB CCCOC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1809289 NYJYDYUPWKPIQD-WQLSENKSSA-N 400.319 3.604 10 40 HHCB C[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccccc1 4834516 GVKQGIGRSGXMHH-ZDUSSCGKSA-N 400.390 3.861 10 40 HHCB CCOC(=O)c1sc(N2N=C(C)/C(=C\c3ccc(Br)o3)C2=O)nc1C 9295997 OULRDCRAHJRASU-YRNVUSSQSA-N 424.276 3.790 10 40 HHCB COc1ccc(N2CCN(CC(=O)N3CC[C@@H](C)Sc4ccccc43)CC2)cc1 57547942 UJLMQDJEOKZGBW-GOSISDBHSA-N 411.571 3.735 10 40 HHCB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 223036583 QZUBEZAHGZIXOX-QFIPXVFZSA-N 415.965 3.874 10 40 HHCB COc1ccc(N2CCN(CC(=O)Nc3ccc(C)cc3Br)CC2)cc1 57548540 PLWBZBLGGYIKIQ-UHFFFAOYSA-N 418.335 3.527 10 40 HHCB Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 3357400 KONGGICHRYLFNW-UHFFFAOYSA-N 401.388 3.880 10 40 HHCB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc2c(c1)OCO2 408902852 MGIAGPINAKCOEX-FBHDLOMBSA-N 415.474 3.593 10 40 HHCB CCOc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)c1 409328926 ANUBMBOJAAHQQZ-ATVHPVEESA-N 414.508 3.640 10 40 HHCB C[C@H]1Cc2cccc(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)c2O1 1516256946 RQNLQDHMWLMABL-AWEZNQCLSA-N 420.431 3.795 10 40 HHCB COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c1 206238542 YBRHUNPGHLLTEG-XNTDXEJSSA-N 404.900 3.895 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(Cl)cc1Cl 10906764 LASFGKSZIGSHRU-UHFFFAOYSA-N 409.313 3.867 10 40 HHCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O 4648606 IEVOVCUIGLZUKK-QAEAHILHSA-N 413.499 3.785 10 40 HHCB O=C1/C(=C/c2ccco2)SC(=S)N1CC(=O)N1CCCC[C@@H]1c1cccnc1 5348757 OBEUVMLWQNEILI-FEEIMYBTSA-N 413.524 3.630 10 40 HHCB CC(=O)c1cc2c(cc1NC(=O)CSc1ncc(-c3ccccc3)n1C)OCO2 6589817 CLLRPLJOPOCRIR-UHFFFAOYSA-N 409.467 3.749 10 40 HHCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)C(C(=O)OC)=C2C)cc1 409018966 ZUBIPOYQZBCIQZ-ZHZULCJRSA-N 421.449 3.749 10 40 HHCB CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccnc3)C2=O)cc1 1186630 QTSFUNODWUNXNJ-SFQUDFHCSA-N 413.524 3.710 10 40 HHCB CCN(CC)c1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 4635763 LSCMTIWCIDWQTG-ACUDIFQKSA-N 404.499 3.595 10 40 HHCB COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1 33653671 SMLSWYRZZDPOBC-HMMYKYKNSA-N 400.434 3.736 10 40 HHCB CN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)C(=O)N(c2ccccc2)C1=O 59138887 AJNJZVRTJFPTAS-QGOAFFKASA-N 416.389 3.653 10 40 HHCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 681103 YQQBEDIYAFUBIZ-UHFFFAOYSA-N 422.337 4.000 10 40 HHCB Cc1cc(C(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1ccccc1 3460622 RWYPULJVXVGFCF-KRWDZBQOSA-N 420.465 3.685 10 40 HHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(F)c1 223576315 XTHMPSXHKFQKMO-LEWJYISDSA-N 410.518 3.593 10 40 HHCB Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)c1 409100755 SAWVTSXYYPNDFK-SFQUDFHCSA-N 409.486 3.566 10 40 HHCB O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 13758705 ILYZBEZJOIZWDF-YBEGLDIGSA-N 419.846 3.811 10 40 HHCB CSc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 14010811 ZOGREBPWICYTEH-GDNBJRDFSA-N 417.284 3.837 10 40 HHCB COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)C(C)C)CC2)cc1 97546845 KYPZNYQKXAMDOM-LAUBAEHRSA-N 401.576 3.781 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(F)ccc1Br 10907716 JODYDWJYKPDELF-UHFFFAOYSA-N 407.283 3.697 10 40 HHCB COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1ccccc1[N+](=O)[O-] 13549715 ZUQJLPGNCZGQPD-SXGWCWSVSA-N 402.453 3.671 10 40 HHCB Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCN(c2ccc(F)cc2)CC1 8165346 UPQRLCITBZEVKT-UHFFFAOYSA-N 410.518 3.667 10 40 HHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 27156842 MKIVEHAQCSPXGH-UHFFFAOYSA-N 416.525 3.554 10 40 HHCB CN1CCN(c2cc(Nc3ccccc3)c3c(c2N)C(=O)c2ccccc2C3=O)CC1 5488259 BSVHDIOFLKSOQV-UHFFFAOYSA-N 412.493 3.540 10 40 HHCB CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)O1 4675898 GVAACIGLIPUGQQ-UHFFFAOYSA-N 402.447 3.831 10 40 HHCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc3cccnc23)SC1=S 9484525 MYAFUDZOIRCCLI-JFBXQDQPSA-N 404.538 3.642 10 40 HHCB COc1ccc(C[C@H]2SC(=S)N(Cc3cccnc3)C2=O)cc1Br 409162529 WNPBZBAIRJYZDY-OAHLLOKOSA-N 423.357 3.824 10 40 HHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OC(C)C 408803771 AGUXFEACMFPBRT-OQLLNIDSSA-N 414.845 3.802 10 40 HHCB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O 409138350 AJJXGCMTBUNPEX-GIJQJNRQSA-N 400.456 3.506 10 40 HHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2O[C@@H](C)CC)C1=O 409235523 BZEOQSKNRMFAHK-JEFCNZTNSA-N 408.454 3.929 10 40 HHCB Cc1cccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)NC2=S)c1C 409143622 MUEYNXBWLISHLH-FYGXEABWSA-N 407.451 3.599 10 40 HHCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1OC 409000902 NRXVOFFLSVXMGY-HKWRFOASSA-N 407.466 3.619 10 40 HHCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cccc(OC)c1 408770316 WDTCYRXVLFKFMQ-QNGOZBTKSA-N 407.466 3.619 10 40 HHCB COc1ccc(-c2nc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cs2)cc1 12562865 JBIHCEWWWTYNMZ-UHFFFAOYSA-N 409.511 3.790 10 40 HHCB Nc1nn2c(C(F)(F)F)cc(=O)[nH]c2c1/N=N/c1ccc(Br)cc1 103751117 XURBSMKJQPNYBK-QZQOTICOSA-N 401.146 3.802 10 40 HHCB COc1ccc(OC[C@H](O)CN(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 12321450 MOLHYWDXAINABY-OAQYLSRUSA-N 410.514 3.796 10 40 HHCB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(C(=O)O)cc1 1773968 UJYVFXUXYFDAFT-UVTDQMKNSA-N 418.521 3.676 10 40 HHCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1cccc(O)c1 27530576 YMIGNJIDGVHTHH-MHWRWJLKSA-N 402.472 3.761 10 40 HHCB COc1ccc(N2CCCN(C(=O)NCc3sccc3Br)CC2)cc1 58587586 PHWWUQGMSVVOJG-UHFFFAOYSA-N 424.364 3.941 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 15360923 IQSXAKGEGHRJOE-UHFFFAOYSA-N 402.560 3.641 10 40 HHCB CN1CCc2cc([C@@H](CNC(=O)COc3ccccc3F)N3CCCCC3)ccc21 13007822 IVMIIFFKSUQFKK-JOCHJYFZSA-N 411.521 3.540 10 40 HHCB COc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)c1 5234199 YZFQPBAAGUVSSM-FOWTUZBSSA-N 402.497 3.908 10 40 HHCB COCCN1C(=O)[C@H](Cc2ccccc2OCc2ccccc2F)SC1=S 8104663 JCCGQNRVXVPJBK-SFHVURJKSA-N 405.516 3.823 10 40 HHCB CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC 13601332 AYMGJUVBQWHEQY-ATVHPVEESA-N 414.508 3.640 10 40 HHCB CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 16034918 CUEZIUZLTXHWTN-JBJZOSQCSA-N 423.448 3.763 10 40 HHCB COc1cc(/C=C2/SC(Nc3ccc(Cl)cc3)=NC2=O)ccc1OCC(=O)O 16915519 FMJVZHIGNQRTAP-CXUHLZMHSA-N 418.858 3.894 10 40 HHCB Cc1cc(C(C)(C)C)cc(CN2CCN(S(=O)(=O)c3cccs3)CC2)c1O 25765452 UGZORDXEBRIXPQ-UHFFFAOYSA-N 408.589 3.566 10 40 HHCB CC[C@H](C)N1C(=O)/C(=C\NCCC(c2ccccc2)c2ccccc2)C(=O)NC1=S 101087536 JVZGDAKJKJVUNM-TYYMKKSVSA-N 421.566 3.724 10 40 HHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccn4)c3C)C2=O)c1 408962989 WVWATUVSRWACHD-DEDYPNTBSA-N 414.465 3.772 10 40 HHCB NC(=O)COc1ccccc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O 409182181 JABKKBGKRARDBA-VIZOYTHASA-N 422.890 3.749 10 40 HHCB CCOC(=O)CN(C(=O)CSc1ncc(-c2ccccc2)n1C)c1ccccc1 4131059 PFEBIGMKDFBONR-UHFFFAOYSA-N 409.511 3.776 10 40 HHCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1 5024724 JPOFMLYYAYBIJD-NBVRZTHBSA-N 408.527 3.585 10 40 HHCB CCc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 8739263 VKDXZYLIZQZZDJ-YBEGLDIGSA-N 410.426 3.782 10 40 HHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)c(O)c1 8974466 JVMAKHUXDNKXCP-XMHGGMMESA-N 411.502 3.591 10 40 HHCB COc1cc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)N=C2O)ccc1O 9045947 XTSMIRDFHTUJBW-NTUHNPAUSA-N 406.316 3.926 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cccc(C(F)(F)F)c3)C2=O)cc1C 9245425 DDXFCARYIKJPNK-MHWRWJLKSA-N 403.360 3.901 10 40 HHCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C/N[C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)C2=O)c(C)c1 35430863 ZIJZQFADSMDGSP-IZWFJMSSSA-N 409.530 3.883 10 40 HHCB CCS(=O)(=O)c1ccc2oc([C@H]3CCN(Cc4ccc(N(C)C)cc4)C3)nc2c1 49169118 LOFIKSLERIWCML-KRWDZBQOSA-N 413.543 3.677 10 40 HHCB biogenic,in-vitro COc1ccc(N2CCN([C@@H](CNC(=O)c3ccccc3)c3ccco3)CC2)cc1 56946264 OFEBWIIBUKGMOA-QFIPXVFZSA-N 405.498 3.582 10 40 HHCB COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C 222765104 IRVAKZHEVSJBHF-NHCUHLMSSA-N 420.538 3.878 10 40 HHCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccccc1[N+](=O)[O-] 408853798 SHILPFOQYNBRHI-CSKARUKUSA-N 422.249 3.733 10 40 HHCB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(N(C)C)cc1 1251676 ZBBMHCONVICGAI-HXUWFJFHSA-N 410.543 3.583 10 40 HHCB COc1c(Br)cc(Br)cc1/C=C1/SC(=S)NC1=O 1512766 RIAMROZUXKEIEA-FPYGCLRLSA-N 409.124 3.709 10 40 HHCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S 2449238 IQZWBSSGORRXDI-WJQTUHTMSA-N 406.554 3.586 10 40 HHCB Cc1cc(C(=O)CSc2nnc(C(F)(F)F)n2N)c(C)n1-c1ccccc1F 3345964 DYJBOVCLMOUJQL-UHFFFAOYSA-N 413.400 3.532 10 40 HHCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1Cl 16312839 OLTCKKLHEMLIBQ-WUXMJOGZSA-N 401.762 3.769 10 40 HHCB CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C(=O)NC1=S 409392290 OUIOSLLZNCAUEV-LCYFTJDESA-N 419.300 3.664 10 40 HHCB Cc1cc(C(=O)NCc2ccccc2CN2CCOCC2)c(C)n1-c1ccc(F)cc1 21557857 OZGQMWHDKCXVFT-UHFFFAOYSA-N 421.516 3.995 10 40 HHCB COc1ccc(Cl)c2ccc(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)nc12 13572909 FABODMFHKHOROB-ZROIWOOFSA-N 422.915 3.963 10 40 HHCB Cc1cc(Br)cc([C@@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)c1O 6727367 AAZKRMIWHXUKLP-OAHLLOKOSA-N 408.321 3.941 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)cc1C 409072099 BEJHLFHYQQTBLK-LDADJPATSA-N 407.445 3.709 10 40 HHCB COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C 222765163 IRVAKZHEVSJBHF-RTWAWAEBSA-N 420.538 3.878 10 40 HHCB Cc1cccc(C2=NN3C(=N)/C(=C/c4coc5ccccc5c4=O)C(=O)N=C3S2)c1 41108160 ABXKXZKAHIAATI-HRIUQOHOSA-N 414.446 3.769 10 40 HHCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 12140505 YYJUTHLBHROJKD-OYUORYAFSA-N 420.295 3.513 10 40 HHCB CN1CCCc2cc([C@@H](CNC(=O)c3ccccc3Cl)N3CCOCC3)ccc21 16838329 AAQWBVHPJIOPDP-JOCHJYFZSA-N 413.949 3.526 10 40 HHCB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(OCC)c2O)N3)C1 4554827 GBWYURVTVRUBTM-QGZVFWFLSA-N 417.487 3.796 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\NNc3cccc4ccccc34)C2=O)cc1C 9109498 UNANIDGEJRFNIT-CPNJWEJPSA-N 400.438 3.540 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1Cl 408768667 ZWGZQIFRPJVZIV-XNTDXEJSSA-N 416.886 3.579 10 40 HHCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c1OC(C)C 409123652 HGSFNXVTMRIHAQ-SFQUDFHCSA-N 424.522 3.931 10 40 HHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O[C@H](C)CC)cc2)C1=O 409220976 ISTUZEBEQOWMGT-LWFDYCOSSA-N 408.454 3.929 10 40 HHCB COc1ccc(/C=C2/SC(N3CCN(c4ccc(C)cc4)CC3)=NC2=O)cc1OC 13759086 UNCAMJPXTRGDBT-RCCKNPSSSA-N 423.538 3.805 10 40 HHCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 13943193 STMXYSIPULROQB-DEDYPNTBSA-N 418.424 3.875 10 40 HHCB CC1CCN(c2ccc([C@H](C)NC(=O)c3ccccc3NS(C)(=O)=O)cc2)CC1 218396847 YXDPFTVBXTTWJU-KRWDZBQOSA-N 415.559 3.785 10 40 HHCB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S 13682168 JVHBCVSYFPWMSA-MIQLPHMESA-N 423.515 3.903 10 40 HHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OC)C2=O)cc1 409046311 JWUUHLGCSADFID-RIYZIHGNSA-N 421.236 3.677 10 40 HHCB Cn1c(=O)c(C2=NNC(=O)C2=C2c3ccccc3-c3ccccc32)c(O)c2ccccc21 3850412 LJWAFBVEPJDIAZ-UHFFFAOYSA-N 419.440 3.561 10 40 HHCB biogenic COC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)ccc1Cl 223860875 MLMPCKVAOLWTMG-UHFFFAOYSA-N 422.934 3.595 10 40 HHCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)cc3OC)N21 222691385 REWSSYDPRMTTMP-NPFVIJTESA-N 424.570 3.906 10 40 HHCB Cc1ccc(OCCOc2cccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c2)cc1 1883117 XSXRGZVWSBGSKK-HAVVHWLPSA-N 414.461 3.914 10 40 HHCB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 4682194 JGEGELJKOFHYOF-OVCLIPMQSA-N 416.275 3.725 10 40 HHCB O=C(COC(=O)[C@@]12CCC(=O)N1CCS2)Nc1ccc(/N=N/c2ccccc2)cc1 9544935 AMUPTLJEYCMWKG-ZGBROZEESA-N 424.482 3.649 10 40 HHCB Cc1cc([C@@H](O)C2C(=O)OC(C)(C)OC2=O)c(C)n1-c1ccccc1C(F)(F)F 48149659 PDKSPOZOMLNKBV-MRXNPFEDSA-N 411.376 3.599 10 40 HHCB Cc1ccccc1N1C[C@](O)(c2ccc(Br)cc2)[N+]2=C1SCCC2 1455315 SRBLJCCYAMIQLV-IBGZPJMESA-N 404.353 3.928 10 40 HHCB CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)C(=O)O1 631584 FKVKCUPDIBOPLY-UHFFFAOYSA-N 423.465 3.950 10 40 HHCB Cc1cccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(N(C)C)cc4)S3)CC2)c1 950641 NYBDEGCOSDYZCC-PGMHBOJBSA-N 406.555 3.854 10 40 HHCB COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O 1054940 MERKRMMOERSHLO-NTEUORMPSA-N 401.762 3.764 10 40 HHCB COc1cccc([C@@H]2CC(c3ccc(C)c(C)c3)=NC3(CCN(C(C)=O)CC3)N2)c1O 65298314 XGFHQYVSMUMPRR-QFIPXVFZSA-N 421.541 3.880 10 40 HHCB biogenic COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(F)c4)co3)CC2)cc1 56949953 XSBAQOUQIKSGQZ-UHFFFAOYSA-N 424.472 3.689 10 40 HHCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccccc3F)C2=O)ccc1Br 408753234 FROZPMXFEZQQMM-UKTHLTGXSA-N 403.207 3.563 10 40 HHCB CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)NC3CCCC3)C2=O)cc1 1186431 JSJDNVYCGMGSDM-GHRIWEEISA-N 404.557 3.735 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N3CCCCC3)C2=O)c1 4174720 VAWHKRZHLMSOPU-VKAVYKQESA-N 404.557 3.689 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1cc(Cl)ccc1Cl 12610363 VTHCJCITFCUPCI-UHFFFAOYSA-N 409.313 3.867 10 40 HHCB COCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccc(OC)cc1 18222344 QOOCDMCXMZOONS-RGEXLXHISA-N 422.510 3.566 10 40 HHCB COc1ccc(N2CCN(CCNC(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 38588973 XBRNNHVGYWKOMJ-UHFFFAOYSA-N 422.451 3.658 10 40 HHCB CCOc1ccccc1CN(C[C@H](C)O)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 89271943 GVWXWQHJFGLVQL-TYZQSYOASA-N 414.458 3.567 10 40 HHCB CCOc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1OCC(=O)O 409209533 GGRYJFLXTKCPIZ-WJDWOHSUSA-N 415.492 3.955 10 40 HHCB CCCOc1ccccc1/C=C1/C(=O)NN(c2ccc(Br)cc2)C1=O 13562081 HKOSWRKZHFMOBJ-VBKFSLOCSA-N 401.260 3.699 10 40 HHCB C[C@H](NC(=O)CN1CCC(c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 19661254 UATKHDLEFSXMSY-FQEVSTJZSA-N 407.558 3.580 10 40 HHCB COc1cccc(CN(CC(=O)O)C(=O)Cc2ccc3c4ccccc4n(C)c3c2)c1 257264403 LUEROGSBTKIWTH-UHFFFAOYSA-N 416.477 3.996 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 409238673 LMJMQIHNEFACQZ-MHWRWJLKSA-N 420.412 3.935 10 40 HHCB O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8870243 AGGNHWRIZYRNGL-VGOFMYFVSA-N 420.403 3.870 10 40 HHCB COc1ccccc1N1CC(=O)N(c2ccccc2)[C@H](c2ccc(N(C)C)cc2)C1=O 15412357 JWZJYWSICIMKOE-XMMPIXPASA-N 415.493 3.882 10 40 HHCB CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=NC3(CCN(C(C)=O)CC3)N2)c1O 65298329 KVDNIBIDJAPOAN-QFIPXVFZSA-N 421.541 3.962 10 40 HHCB biogenic O=C1CCCN1c1cccc(NC(=S)NCCCN2CCCc3ccccc32)c1 225746938 ZFENKOSZZOMERO-UHFFFAOYSA-N 408.571 3.943 10 40 HHCB O=C1c2ccccc2C(=O)C1(Cl)C1(S(=O)(=O)O)c2ccccc2-c2ccccc21 1620125 MINRSXMHBQLQJQ-UHFFFAOYSA-N 424.861 3.855 10 40 HHCB COc1ccc(/C(C)=C2\SC(=S)N(CCC(=O)Nc3nccs3)C2=O)cc1 2996581 LFHUMMSKBNITQT-PTNGSMBKSA-N 419.553 3.772 10 40 HHCB CCN(Cc1ccccc1)C(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S 4745427 BGHKWCSSYMJKTJ-LFIBNONCSA-N 402.566 3.998 10 40 HHCB Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)n(C)c(=O)n4C)SC2=S)cc1C 9232329 SOEHSVKBDBMRNL-WOJGMQOQSA-N 409.536 3.900 10 40 HHCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 12140506 YYJUTHLBHROJKD-CHPNCVJKSA-N 420.295 3.513 10 40 HHCB COc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)c1O 12633033 DFZNYSZZLIGUHP-QFIPXVFZSA-N 404.422 3.943 10 40 HHCB COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2ccc(Br)cc2)c1C 14009364 HUESKOOSHPVRKF-YVLHZVERSA-N 415.287 3.817 10 40 HHCB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1 33653670 SMLSWYRZZDPOBC-HKWRFOASSA-N 400.434 3.736 10 40 HHCB COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)O 2119890 UFZGKGZGKBXPJC-LICLKQGHSA-N 415.492 3.560 10 40 HHCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1cc(F)ccc1F 9704171 BEIQPHPBUQPMBD-UHFFFAOYSA-N 421.355 3.536 10 40 HHCB CC1=NN(c2nc3ccccc3[nH]2)C(=O)/C1=C(/C)N1CCN(c2ccc(F)cc2)CC1 13856403 QDJIXGSXYANCFP-PGMHBOJBSA-N 418.476 3.521 10 40 HHCB O=C1NC(=S)NC(=O)C1=CNc1nc(-c2ccc(C3CCCCC3)cc2)cs1 17156751 UDSLWYJWAIKRJN-UHFFFAOYSA-N 412.540 3.685 10 40 HHCB CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)NCCCOC 24941496 KAMDKJMTSBTJBU-UHFFFAOYSA-N 412.353 3.577 10 40 HHCB CN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N(c2ccccc2)C1=O 59138866 UIQVALLIABKADY-AQTBWJFISA-N 416.389 3.653 10 40 HHCB Cc1cccc(COc2ccc3ccccc3c2C=C2C(=O)NC(=S)NC2=O)c1 408868620 PKVISEOJGVUMBR-UHFFFAOYSA-N 402.475 3.642 10 40 HHCB COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1C(C)C 409173118 KBTCXLQRVMGXDH-SFQUDFHCSA-N 424.522 3.967 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OC 409134575 WGLHXYVHJDRXKD-LFIBNONCSA-N 410.495 3.542 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)NC2=S)cc1Cl 409235731 DISDZKNKECNGJP-WUXMJOGZSA-N 407.278 3.839 10 40 HHCB COc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)c(OC)c1 1250105 QLPGPHPPKQZNJY-LPPOOGIUSA-N 415.492 3.731 10 40 HHCB O=C(OCc1nnc(-c2ccccc2)o1)c1cccc2c1C(=O)c1ccccc1C2=O 5452680 JIDBXYQIQMQBOK-UHFFFAOYSA-N 410.385 3.869 10 40 HHCB NS(=O)(=O)c1ccc(/N=N\C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 104249997 WHKYELIWFQHMFL-VHXPQNKSSA-N 407.451 3.552 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1Br 409087573 BXDRLAUEBZKIRZ-KSSSLANASA-N 414.346 3.838 10 40 HHCB CCCCCCN1C(=O)/C(=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)c2ccccc21 26510002 SMPXSDQEEBMCBW-SUQMRRJOSA-N 418.540 3.658 10 40 HHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C 222998138 HNWRXFISUXLTHO-RTWAWAEBSA-N 407.543 3.503 10 40 HHCB CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 1129435 UOIKHWRYQSQBMU-JLHYYAGUSA-N 404.253 3.726 10 40 HHCB CN1CCCc2cc([C@@H](CNS(=O)(=O)c3cccs3)N3CCCCC3)ccc21 8800165 RBSLAMZDKPSISC-HXUWFJFHSA-N 419.616 3.636 10 40 HHCB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(OC)ccc1OC 59435681 HFHHJEWHNKRZDQ-HKWRFOASSA-N 407.466 3.619 10 40 HHCB COc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)o1 6847711 OYICVCJNHBBESC-VGOFMYFVSA-N 409.872 3.894 10 40 HHCB COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCCCC2 35898111 ZJKRRHWEUHXNHV-KOZAUXTDSA-N 403.500 3.655 10 40 HHCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCO2 16694325 XUTVKZWREFMEGZ-WUXMJOGZSA-N 408.395 3.739 10 40 HHCB Cc1ccc2c(c1)N(S(=O)(=O)c1cccc3c1C(=O)c1ccccc1C3=O)CCC2 4694480 MKKMLGDXURQHCB-UHFFFAOYSA-N 417.486 3.912 10 40 HHCB COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc1C(=O)O 33321915 AMXZIJCRTPDPJL-ZROIWOOFSA-N 400.774 3.554 10 40 HHCB O=C1N=C(N2CCOCC2)S/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 35484959 ZFDWWZOUIOPEFD-HMMYKYKNSA-N 416.506 3.842 10 40 HHCB CN(Cc1ccccc1O)C(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 42116917 LYNNCQYTVIKJNQ-INIZCTEOSA-N 410.417 3.873 10 40 HHCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2C)SC1=S 54361102 YZESAYPDGUCDEM-NMGOYGNESA-N 421.565 3.801 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OCC 409130564 WKWNFADICZERHP-SFQUDFHCSA-N 424.522 3.932 10 40 HHCB Cc1cccc(N2C(=O)/C(=C/c3ccc(Br)s3)C(=O)NC2=S)c1C 409131261 NXMUJHXEEJXLIZ-XYOKQWHBSA-N 421.341 3.959 10 40 HHCB CC(C)Oc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1Br 409345609 JPFRNCDOIKSMNR-WUXMJOGZSA-N 416.318 3.522 10 40 HHCB CCOc1ccc(N2C(=O)/C(=C\c3cn(CC)c4ccccc34)C(=O)NC2=S)cc1 2195689 IAIGXHSPRIPTCO-UYRXBGFRSA-N 419.506 3.891 10 40 HHCB Cc1ccccc1Cn1cccc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 13552876 FYEOJCSPCAGMRA-DEDYPNTBSA-N 403.413 3.650 10 40 HHCB COc1ccc(N2CCN([C@H](c3ccc(C)cc3)c3nnnn3C(C)(C)C)CC2)cc1 20139299 GNEKUGIRCMDEKH-JOCHJYFZSA-N 420.561 3.657 10 40 HHCB CNC(=O)C1CCN([C@H](C)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 29165300 FQGQFMVMXPSNGA-MRXNPFEDSA-N 401.938 3.777 10 40 HHCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/C2=Cc3ccccc3O[C@H]2C)SC1=S 54361103 YZESAYPDGUCDEM-WTBADFPDSA-N 421.565 3.801 10 40 HHCB CC1CCN(c2nc(O)c3c(n2)CN(Cc2c(O)ccc4ccccc24)CC3)CC1 72347360 VCPLSGSVSNQBQR-UHFFFAOYSA-N 404.514 3.836 10 40 HHCB COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 205682781 MJRHEBXFWOSIJM-CXUHLZMHSA-N 404.875 3.957 10 40 HHCB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)NCCc1ccccc1 4602851 YLLCIIWKUIQCRN-UHFFFAOYSA-N 406.467 3.843 10 40 HHCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 4703277 VBLISXDSKVLOKF-UHFFFAOYSA-N 406.269 3.835 10 40 HHCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 6418015 WJSSRWYAJYOADI-XSFVSMFZSA-N 406.486 3.728 10 40 HHCB COCCN1C(=O)/C(=C/c2cc(C)n(C(C)(C)C)c2C)C(=O)N(c2ccccc2)C1=O 409010388 KGQWEILTXCRXFE-HKWRFOASSA-N 423.513 3.885 10 40 HHCB COC(=O)Cc1c(C)c2ccc(O)c(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c2oc1=O 100797912 FMZMZERQRMDNSC-IZHWHUGBSA-N 413.514 3.923 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1OC 13748335 KIHRHSSYRGCVSY-NVMNQCDNSA-N 415.492 3.834 10 40 HHCB Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)c2C)c1 223575060 SIXNFIHGMGDNIR-YADHBBJMSA-N 406.555 3.762 10 40 HHCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)C1 260453059 DIMZHHPMQDTQSQ-IRXDYDNUSA-N 415.559 3.785 10 40 HHCB CCN1C(=O)C(=C/C=C/C=C2/N(C)c3ccccc3C2(C)C)C(=O)N(CC)C1=S 1648694 WUJCGRBBISIKPR-URDYEQAASA-N 409.555 3.776 10 40 HHCB COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)c1 32707958 LNOSYTRRPUMQEO-LZYBPNLTSA-N 417.464 3.513 10 40 HHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)c1C 408961890 VHLUZHDNXGFAEX-HMMYKYKNSA-N 403.482 3.960 10 40 HHCB Cc1cc(/C=C2/C(=O)N=C(O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(O)c1 13815059 JFHNXMWYRHNPIJ-NDENLUEZSA-N 401.422 3.671 10 40 HHCB CCCN1C(=O)/C(=C\c2ccc(OCC(=O)OCC)c(OCC)c2)SC1=S 113837326 VPEAKGWLLMDAPJ-LFIBNONCSA-N 409.529 3.638 10 40 HHCB Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 631714 ULLCRNJKBINZHJ-CIAFOILYSA-N 405.429 3.993 10 40 HHCB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(N2CCC(Cl)=N2)cc1 32099466 ITOCAUBRQCPMNF-WQRHYEAKSA-N 408.845 3.953 10 40 HHCB COc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(C)cc3)C(=O)NC2=S)cc1 9260347 AWRQXBOSAOIJJF-ZHZULCJRSA-N 417.490 3.626 10 40 HHCB Cc1cc(/C=C/C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)c(C)n1-c1ccccc1 65607142 TVJJVZOKVAJTNZ-RQWLHQTBSA-N 409.555 3.631 10 40 HHCB O=C(NN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)c1ccc(Cl)cc1 206238705 PXQGRKUHLOVFSV-NTEUORMPSA-N 419.871 3.794 10 40 HHCB CN1CCN(c2ccc(CNC(=O)/C(=C/c3ccco3)c3ccccc3)cc2)CC1 218109182 AHMKIEKWHZVAMH-HKOYGPOVSA-N 401.510 3.888 10 40 HHCB Cc1ccc(-n2nc(C)c(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)c2C)cc1 408758205 WVHKDFJWTXQDCH-DEDYPNTBSA-N 414.465 3.772 10 40 HHCB CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1OCC 408865923 CPZNOICDUZVDBB-QINSGFPZSA-N 412.417 3.680 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)cc1C 409093556 AIOUSJPLWLYNAK-LDADJPATSA-N 423.513 3.874 10 40 HHCB CN(C)c1ccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc1Br 1083216 YPXGYMPRVZXXRU-RIYZIHGNSA-N 420.694 3.630 10 40 HHCB COC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 1768458 KPYINHKALGZPIN-VBKFSLOCSA-N 409.529 3.638 10 40 HHCB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C)c(C)n1-c1ccc2c(c1)OCCO2 12534781 RZIXPEWPXNKPEH-UHFFFAOYSA-N 424.526 3.846 10 40 HHCB CCOc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1O 4689633 ZKHJUUXDEOPFAE-NVMNQCDNSA-N 415.492 3.921 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c1OC 13344056 QYWQXPOZJRDZBW-GDNBJRDFSA-N 401.465 3.808 10 40 HHCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccccc1 210800456 ROKASFPBXCLVPR-QGOAFFKASA-N 407.882 3.962 10 40 HHCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1ccc2c(c1)OCO2 103918114 KLWUTFYCOLFLCR-JCMHNJIXSA-N 407.470 3.990 10 40 HHCB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1C 108926915 HINOVCMHBOLYRO-MOSHPQCFSA-N 415.449 3.562 10 40 HHCB CN1CCN(c2ccc(CNC(=O)CCSc3ccc(Cl)cc3)cc2)CC1 216929593 PGRGAJDDBVVFSN-UHFFFAOYSA-N 403.979 3.890 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OCC 409020434 PHHRJNQPKVMSTP-LDADJPATSA-N 424.522 3.932 10 40 HHCB Cc1cccc(Cn2cccc2/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1 13689343 QGOPZUBUVHONND-MOSHPQCFSA-N 403.413 3.650 10 40 HHCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1 853249 YCUCBQRCBWEOOW-MOSHPQCFSA-N 403.413 3.900 10 40 HHCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1OC 4783812 QSWIJCLXRZSSKQ-NTEUORMPSA-N 406.866 3.542 10 40 HHCB COc1ccc(CNC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cc1OC 32765643 GQWMJFDGNPWAHA-UHFFFAOYSA-N 422.481 3.813 10 40 HHCB O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S 35517160 DKIDYNFCYRRLMW-GDNBJRDFSA-N 417.464 3.711 10 40 HHCB COc1ccc(-c2cnc(CCC(=O)N3CCN(c4ccc(OC)cc4)CC3)o2)cc1 63890977 CJTVZXDMBJWTIA-UHFFFAOYSA-N 421.497 3.640 10 40 HHCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3O)C2=O)cc1 4174703 UENXMUBBMZAJIU-BOPFTXTBSA-N 414.508 3.631 10 40 HHCB COCCN1C(=O)[C@@H](Cc2ccccc2OCc2cccc(F)c2)SC1=S 8104738 ZAESXNQMQDMPKP-GOSISDBHSA-N 405.516 3.823 10 40 HHCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)C(=N)N2O1 41078309 UCJYEPDWNLPPRC-BNCGLULESA-N 404.382 3.624 10 40 HHCB CC1CCN(C(=O)C2=CN(c3ccc(F)cc3)c3ccccc3S2(=O)=O)CC1 49003808 DWPUMTGXKZUHBV-UHFFFAOYSA-N 400.475 3.851 10 40 HHCB C[C@@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(N2CCOCC2)cc1 225839571 ZADRMIYCDRDEMB-QGZVFWFLSA-N 424.570 3.698 10 40 HHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cccc(Br)c2)C1=O 408536276 VRMFGRCJUCENCH-RVDMUPIBSA-N 414.259 3.590 10 40 HHCB COc1cc(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1O 408984523 RSBMAPZIZDILJZ-MLPAPPSSSA-N 421.236 3.682 10 40 HHCB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 8763406 SKZGBORSOYQUSU-DGGAMASNSA-N 418.452 3.919 10 40 HHCB Cc1cc(C(=O)Cn2nc(-c3cccs3)oc2=O)c(C)n1-c1ccc2c(c1)OCO2 9781389 LMQDQJDMKPLEAC-UHFFFAOYSA-N 423.450 3.584 10 40 HHCB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(F)cc1 35419926 NUROXUTXYLAIGI-ZHZULCJRSA-N 418.424 3.875 10 40 HHCB O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[C@H]1c1cccc(Cl)c1 72277264 FUDMLYYDMIVLMI-OALUTQOASA-N 402.897 3.860 10 40 HHCB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 217035418 GFIUKXPYTPRHTL-OAQYLSRUSA-N 401.938 3.566 10 40 HHCB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCOCC2)cc1 223750897 ZTBQIIMEHLNUSJ-XMMPIXPASA-N 408.542 3.876 10 40 HHCB COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)ccc1C 225369509 SJHWLPMCLJABJZ-KRWDZBQOSA-N 416.543 3.811 10 40 HHCB O=c1cc(CSc2nc(C3CC3)n(-c3ccccc3)n2)c2cc(O)c(O)cc2o1 32945537 MFEWKRBYFHNCSY-UHFFFAOYSA-N 407.451 3.955 10 40 HHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(O)c1 4859649 IUURHHZNXXUCKM-GZTJUZNOSA-N 413.861 3.558 10 40 HHCB O=C(COc1ccc(Cl)cc1/C=C1\SC(=S)NC1=O)Nc1ccc(F)cc1 9704984 ADROACPTVFNJIY-NVNXTCNLSA-N 422.890 3.985 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(C)C 408807715 OLXJPXMMUYCVAM-LDADJPATSA-N 424.453 3.548 10 40 HHCB NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O 409331207 MQWZTINXROBFSH-NVNXTCNLSA-N 404.900 3.610 10 40 HHCB CCOc1cc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)ccc1O 35623422 MYICVWRSPGOSLK-HMMYKYKNSA-N 409.511 3.583 10 40 HHCB Cc1c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc2n1Cc1ccccc1F 1409503 AQBVAFNSIWHCIL-UHFFFAOYSA-N 405.429 3.571 10 40 HHCB CCCCN1C(=O)NC(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O 4808271 OURAMNSXBKSAGB-ZHZULCJRSA-N 401.466 3.952 10 40 HHCB Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1 6142027 FKHXRYUBYFICFH-XNTDXEJSSA-N 424.956 3.743 10 40 HHCB O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)NC12CC3CC(CC(C3)C1)C2 6996400 NMEPTTVDOWQLRL-NVMNQCDNSA-N 412.580 3.973 10 40 HHCB C#CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)cc1 33768009 VHFDLDUQVBRQTH-KQWNVCNZSA-N 411.461 3.568 10 40 HHCB O=C(c1cccnc1)N(Cc1ccco1)C1CCN(c2ccc3c(c2)OCO3)CC1 72342405 IPNDNOFJVCRVME-UHFFFAOYSA-N 405.454 3.715 10 40 HHCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)CC1 218402092 DAWUWOCGDAFZCY-QGZVFWFLSA-N 415.559 3.785 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1OC 409234283 KCNHYBOXBZFMGO-JLHYYAGUSA-N 416.886 3.579 10 40 HHCB COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN2CCC(C)CC2)c1O 7986621 JADJJZMOYWHRCD-SFHVURJKSA-N 413.543 3.872 10 40 HHCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1ccc(Cl)cc1 9060029 XGLZFKMXJBXWMK-QNGOZBTKSA-N 411.889 3.712 10 40 HHCB C[C@@H]1CCc2c(sc(NS(=O)(=O)c3ccc4ccccc4c3)c2C(N)=O)C1 12619068 IBDZITCYCZWUSI-GFCCVEGCSA-N 400.525 3.926 10 40 HHCB CN1C(=O)/C(=C\c2cc(Br)cc(Br)c2O)SC1=S 83312698 AEQFBVMRTQJUPN-FPYGCLRLSA-N 409.124 3.748 10 40 HHCB Cc1cc(SCC(=O)NCCc2ccc(O)c(O)c2)c(C)cc1Br 98074432 WDAGVHSYHASJRM-UHFFFAOYSA-N 410.333 3.928 10 40 HHCB C[C@]1(O)CCN(Cc2cc(Br)ccc2O)C[C@@H]1Oc1cccc(F)c1 257283688 OZJPBVHVUYYTJS-OALUTQOASA-N 410.283 3.698 10 40 HHCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 8166142 NJFOCADQXPFMEG-OAQYLSRUSA-N 417.868 3.790 10 40 HHCB Cc1cc(-c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)o2)ccc1Br 59109571 MCUUHZZSMBVHPE-UHFFFAOYSA-N 419.300 3.616 10 40 HHCB COCCn1c(C)cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c1C 59087207 SWEINYPBGVLVDM-GZTJUZNOSA-N 401.850 3.911 10 40 HHCB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc3nccnc23)SC1=S 13721618 BUUQKCNOTBEJNR-JBXOJTMHSA-N 407.476 3.657 10 40 HHCB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1 7990470 DQMKMFXRIBJEMU-ZDUSSCGKSA-N 403.390 3.547 10 40 HHCB CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(CC(=O)O)C1=O 13362986 BLEBKUVVBZWDRA-GHXNOFRVSA-N 416.318 3.524 10 40 HHCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc21 208445351 MQHPZZPGMDASII-CPNJWEJPSA-N 401.466 3.985 10 40 HHCB C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)C1 22510115 NRMOPGFHZHASPU-HXUWFJFHSA-N 407.558 3.685 10 40 HHCB COc1ccc(N2CCN(C(=O)CN[C@@H](c3ccccc3)c3cccs3)CC2)cc1 57435070 HZJCRNNVIDYIIT-DEOSSOPVSA-N 421.566 3.785 10 40 HHCB O=S(=O)(Nc1ccc(O)cc1)c1cc(Br)ccc1Br 3324384 GTZQAJXFDSLENS-UHFFFAOYSA-N 407.083 3.718 10 40 HHCB COc1ccc(Br)cc1/C=C1\SC(N2C[C@H](C)O[C@@H](C)C2)=NC1=O 13784871 LZWXPMSBQBHKEF-QDLSESRGSA-N 411.321 3.537 10 40 HHCB CN1CCN(c2ccc(CNC(=O)CSCc3ccc(Cl)cc3)cc2)CC1 216929070 CXUUGJRPPLIBHS-UHFFFAOYSA-N 403.979 3.641 10 40 HHCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)COc3ccc(C=O)cc3)c2C)cc1 3282251 LEQKFADDIXYHRR-UHFFFAOYSA-N 421.449 3.720 10 40 HHCB CCCCN1C(=O)[C@H]2ON(c3ccccc3C)[C@@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 11907988 UUVFPIFGOGYEQR-FSSWDIPSSA-N 407.514 3.708 10 40 HHCB CCOc1ccc(N/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2CC(=O)OC)cc1 17093553 KUGNQNXCWGIIGG-JCMHNJIXSA-N 423.469 3.746 10 40 HHCB C[C@H]1CCCN(Cc2ccc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)cc2)C1 219243480 TUYTTZRJAFBBAT-NRFANRHFSA-N 420.601 3.600 10 40 HHCB CC[C@@H](C)N1C(=O)/C(=C/NCCC(c2ccccc2)c2ccccc2)C(=O)NC1=S 5925076 JVZGDAKJKJVUNM-GFXBCDTMSA-N 421.566 3.724 10 40 HHCB COc1cc(/C=C2\SC(Nc3cccc(C)c3C)=NC2=O)ccc1OCC(=O)O 6268161 IGLMQLKTIMWJBD-ZDLGFXPLSA-N 412.467 3.858 10 40 HHCB O=C(CSCc1c(F)cccc1Cl)NCc1ccc(N2CCOCC2)cc1 13674780 YAVUTUMWHDWZQA-UHFFFAOYSA-N 408.926 3.865 10 40 HHCB CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H](CNC(=O)C4CCCC4)CC3)ccc21 100766667 UJUPCFUSAYZALB-RVWIWJKTSA-N 411.590 3.798 10 40 HHCB COC(=O)/C=C\N(Cc1ccccc1)/N=N/N(/C=C\C(=O)OC)Cc1ccccc1 104227633 WGWHBDYUEFOOAF-KIEYMQTJSA-N 408.458 3.646 10 40 HHCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)c2C)cc1 223575309 PQXSGCVJAOVMBR-FCHUYYIVSA-N 406.555 3.762 10 40 HHCB CN1CCN(c2ccc(CNC(=S)Nc3cccc(C(F)(F)F)c3)cc2)CC1 225776009 YZDLCDHGPXIMEJ-UHFFFAOYSA-N 408.493 3.944 10 40 HHCB CN1/C(=C/c2sc3ccccc3[n+]2CCCS(=O)(=O)O)C=Cc2ccccc21 4517445 DOUDUHOZLVBMBY-UHFFFAOYSA-O 413.544 3.971 10 40 HHCB CCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)no2)cc1 7572347 IKDRODYKNKAYIT-UHFFFAOYSA-N 407.470 3.711 10 40 HHCB COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3O)=NN2)c(OC)c1OC 12390495 USXPAYCQVJBPTA-AWEZNQCLSA-N 424.453 3.580 10 40 HHCB CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(Br)cc3C(=O)O)o2)C(=O)O1 12402486 ONLQCEVBBIRLBO-UHFFFAOYSA-N 421.199 3.627 10 40 HHCB COc1ccc(N2CCN(CC(=O)N3CC[C@H](C)Sc4ccccc43)CC2)cc1 57547945 UJLMQDJEOKZGBW-SFHVURJKSA-N 411.571 3.735 10 40 HHCB CC(C)n1[nH]c(=O)c2c(-c3ccc(C(=O)O)cc3)c3oc4c(O)c(O)ccc4c3nc21 85877184 JKEVJYDGGRJPMO-UHFFFAOYSA-N 419.393 3.981 10 40 HHCB biogenic Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 225435093 WYKMGACHHHJWTA-FQEVSTJZSA-N 409.574 3.954 10 40 HHCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)C(=O)NC1=S 4689806 DDOYMGHNMOMNDY-YRNVUSSQSA-N 407.278 3.839 10 40 HHCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1 408844172 BJSUZARVELBWHD-FMIVXFBMSA-N 407.278 3.833 10 40 HHCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccc(Br)c1 408866999 ISUVTOWCRBHIBL-RIYZIHGNSA-N 405.635 3.769 10 40 HHCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3c(OC)ccc4ccccc34)C2=O)cc1 5198042 JQXLCYQPNCXLJU-UYRXBGFRSA-N 402.406 3.523 10 40 HHCB CN(C)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 15134453 OKPVRVAVDLSHCO-UHFFFAOYSA-N 423.538 3.508 10 40 HHCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc2c(c1)OCO2 9444407 IKIKZVOZWYIKKL-MHWRWJLKSA-N 416.480 3.628 10 40 HHCB Cc1ccc(C)n1-c1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 40158055 SFTQLTGGVUCCSA-FQEVSTJZSA-N 405.498 3.856 10 40 HHCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1Cc1ccccc1Cl 2232221 YKDNWGLLKMXOIR-PDGQHHTCSA-N 423.831 3.995 10 40 HHCB O=S(=O)(c1ccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)cc1)N1CCOCC1 5017703 JAMOBUYVLGRRHV-UEXGIBASSA-N 414.502 3.673 10 40 HHCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)C(C(=O)OC)=C2C)cc1 5871130 MEVKHUVTLUNOHQ-UYRXBGFRSA-N 409.413 3.880 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1Cl 6188759 RPZICZOCXARUOJ-OQLLNIDSSA-N 400.887 3.797 10 40 HHCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1 108023815 FZYPRUNVBWAUHB-UDWIEESQSA-N 420.396 3.660 10 40 HHCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OC(C)C 408866924 JDFCYHPNQAPTDY-ATVHPVEESA-N 410.495 3.704 10 40 HHCB O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2cccc3ccccc23)c(Cl)c1 408885185 YFHYFVSDGRIRKV-UHFFFAOYSA-N 422.893 3.987 10 40 HHCB COc1ccc(Br)cc1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 409077900 BCSPGEUXOJPPED-QENILXLESA-N 414.346 3.838 10 40 HHCB O=C(O)c1ccc(S(=O)(=O)Nc2cc(Br)c(O)c3ccccc23)cc1 628559 HVTBTVKHGMJDAU-UHFFFAOYSA-N 422.256 3.807 10 40 HHCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cccn1-c1ccccc1F 1065578 NYTBUFPHBYHEEE-WYMLVPIESA-N 409.417 3.587 10 40 HHCB O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl 1406456 NIZOMGSJBXIJAN-OQLLNIDSSA-N 407.228 3.837 10 40 HHCB CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1 2268619 PIBZMBLAMDPJHS-XDHOZWIPSA-N 422.510 3.512 10 40 HHCB COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)O 2815586 XOFMBPFRUANQLW-PBSOMRJOSA-N 415.492 3.953 10 40 HHCB CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCC2 35898091 IPWOJINDHICCPA-KOZAUXTDSA-N 403.500 3.654 10 40 HHCB CC(C)[C@H](NS(=O)(=O)c1ccc(N=Nc2ccc(N(C)C)cc2)cc1)C(=O)O 255962316 AJSKPBGSGLIRQK-SFHVURJKSA-N 404.492 3.556 10 40 HHCB CCCn1cc(/C=C2\C(=O)N=C(O)N(c3ccccc3OC)C2=O)c2ccccc21 2387022 YRHAXODERQNCPA-GHRIWEEISA-N 403.438 3.931 10 40 HHCB Cc1ccc2[nH]c(C)c(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2c1 5149931 PTEKSZQEUXYOFA-WXUZMHMZSA-N 400.467 3.847 10 40 HHCB Cc1cccc(N2CCN(C3=NC(=O)/C(=C/c4cccc([N+](=O)[O-])c4)S3)CC2)c1 2299961 PPOLVAWXXDEDIP-RGEXLXHISA-N 408.483 3.696 10 40 HHCB CCOc1cc(C[C@@H]2SC(=S)N(CC)C2=O)cc(Br)c1OC 6952493 DWBINLANXGURAF-LBPRGKRZSA-N 404.351 3.648 10 40 HHCB CCc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(N(CC)CC)cc3)C2=O)cc1 9089735 INPQROGWNRRFOO-HMMYKYKNSA-N 406.486 3.674 10 40 HHCB COC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21 409126368 FNHBNODWBWYFMT-MFOYZWKCSA-N 412.492 3.809 10 40 HHCB Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O 1006058 XUCWKRBZWBXQBJ-LDADJPATSA-N 402.516 3.973 10 40 HHCB Cc1cc(Br)cc([C@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)c1O 6727365 AAZKRMIWHXUKLP-HNNXBMFYSA-N 408.321 3.941 10 40 HHCB CN1CCCc2cc(CNC(=O)NCc3cc(F)cc(Br)c3)ccc21 58561828 KSAAPLOBJXPAJO-UHFFFAOYSA-N 406.299 3.970 10 40 HHCB CCCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCC2 102345522 GRMRNUJFJXZTGH-RKLWJJNISA-N 403.500 3.655 10 40 HHCB CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCC2 4614285 RLSOPXMBRGJTNT-KNPMLCFXSA-N 405.516 3.878 10 40 HHCB COc1ccc(-c2cnc(SCC(=O)N3CCN(c4ccccc4)CC3)n2C)cc1 7423595 MEJAGCHXTCJUQB-UHFFFAOYSA-N 422.554 3.537 10 40 HHCB COc1cccc(/C=C2\SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)c1OC 13121989 FWZXAFVNVQVFNB-UVQBRAAOSA-N 415.492 3.731 10 40 HHCB COc1cccc(-c2csc(NS(=O)(=O)c3ccc(C)c(C(=O)O)c3)n2)c1 28248723 PKEVHIGUEKIWON-UHFFFAOYSA-N 404.469 3.626 10 40 HHCB O=C1N=C(O)/C(=C/NC2CCN(Cc3ccccc3)CC2)C(=O)N1C1CCCCCC1 103127783 RAMFILARRVNURA-PGMHBOJBSA-N 424.545 3.766 10 40 HHCB O=C(NN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)SC1=S)c1cccs1 409344835 HNEBSIBBYNUZEN-FOWTUZBSSA-N 415.565 3.895 10 40 HHCB CN1C(=O)C(=Cc2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N(C)C1=O 2315650 DEBFVOVTLMXUKZ-UHFFFAOYSA-N 407.857 3.777 10 40 HHCB COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)O 13547848 ZAKWLPQFTSXUNU-YBEGLDIGSA-N 407.513 3.693 10 40 HHCB Cc1c(CN2C[C@@H](c3cccnc3)[C@@]3(CCCC(=O)N3)C2)ccc(N2CCCC2)c1C 19577406 GIKAIZGHQBQKDS-JYFHCDHNSA-N 418.585 3.937 10 40 HHCB CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)ccc21 223350963 VZZSZNYTRKWHHN-UHFFFAOYSA-N 401.469 3.539 10 40 HHCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 857543 WFIMXRMBCFOXLH-MOSHPQCFSA-N 403.413 3.900 10 40 HHCB Cc1cc(C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1ccccc1 3460625 RWYPULJVXVGFCF-QGZVFWFLSA-N 420.465 3.685 10 40 HHCB Cc1cc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)no1 4746837 VBLZWIAKYQEZOE-UVTDQMKNSA-N 405.476 3.742 10 40 HHCB CN1CCN([C@H](CNC(=O)c2ccc3ccccc3c2)c2ccc(N(C)C)cc2)CC1 22589358 OQSNVTNKJIGDTJ-RUZDIDTESA-N 416.569 3.624 10 40 HHCB COc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccc(C(=O)O)cc2)C(=O)N=C1O 33313744 DEHRSIBXJPHMFA-ZROIWOOFSA-N 400.774 3.554 10 40 HHCB COc1ccc(C)cc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(N(C)C)cc1 40484492 KMMTZVZDMGINIZ-NRFANRHFSA-N 418.501 3.589 10 40 HHCB Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3ccc(CS(N)(=O)=O)cc3)c2C)c1 79018067 UWOUYIWWDKMISH-UHFFFAOYSA-N 411.527 3.752 10 40 HHCB Cc1ccc(/N=N/c2c(O)ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1 4804144 GZXCWYAKEMPOQS-VHEBQXMUSA-N 422.440 3.763 10 40 HHCB c1ccc(-c2cnc(SCc3nnnn3-c3ccccc3)n2C[C@@H]2CCCO2)cc1 24907514 SZUKFVVANOCUGC-IBGZPJMESA-N 418.526 3.997 10 40 HHCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 59435800 RBKANLAHERIFFQ-ZHZULCJRSA-N 422.437 3.519 10 40 HHCB O=C1N=C(O)/C(=C\c2ccc(N3CCCCCC3)o2)C(=O)N1c1ccc2c(c1)OCO2 59105073 HJCRVGCWGXTGFO-FOWTUZBSSA-N 423.425 3.895 10 40 HHCB CS(=O)(=O)Nc1ccc(O)c(C(=O)OCc2sc3ccccc3c2Cl)c1 64154139 FPTJSRNWKDAUQQ-UHFFFAOYSA-N 411.888 3.989 10 40 HHCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NNc1nc2ccccc2s1 13756703 IKPYGSMJMNLTHN-GZTJUZNOSA-N 408.443 3.818 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(OCC)c1 409246316 AWZQVYJXRSWOGS-LDADJPATSA-N 424.522 3.932 10 40 HHCB COc1cc(Br)c(/C=C2/SC(NC3CCCC3)=NC2=O)cc1OC 96121207 KTGOZGOYUCPERA-OVCLIPMQSA-N 411.321 3.969 10 40 HHCB COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C\C=C\c3ccccc3[N+](=O)[O-])C2=O)c1 1825650 FSLFDELMKSLEQT-TWPHAGSYSA-N 423.381 3.675 10 40 HHCB CCCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3ccccn3c2=O)SC1=S 2253850 YKJZWMWQKPRYQN-PTNGSMBKSA-N 416.572 3.764 10 40 HHCB COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c1 2259555 FRUCQPCOKPTLDK-MHWRWJLKSA-N 401.465 3.808 10 40 HHCB Cc1cc(C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c(C)n1-c1ccc(F)cc1 3433162 RAEALVPYSJMVEY-UHFFFAOYSA-N 420.400 3.734 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc1OC 8753584 STCBGADZKBEIDQ-PXNMLYILSA-N 417.464 3.513 10 40 HHCB COc1ccc(N2CCN(CC(=O)N[C@H](C)c3ccc4ccccc4c3)CC2)cc1 68678540 YOCVQDXJNDKUNX-LJQANCHMSA-N 403.526 3.848 10 40 HHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C 223017632 YZASYEPMEJUUJF-FCHUYYIVSA-N 421.570 3.811 10 40 HHCB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 225435128 WYKMGACHHHJWTA-HXUWFJFHSA-N 409.574 3.954 10 40 HHCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)OC)cc1 408881238 KLCLRASYRFKWAJ-ZHZULCJRSA-N 421.449 3.506 10 40 HHCB CCOC(=O)c1ccc2nc(NC=C3C(=O)OC4(CCCCC4)OC3=O)sc2c1 35592644 NXSAFDJZPDWIIF-UHFFFAOYSA-N 416.455 3.529 10 40 HHCB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)c3ccccc3C(=O)[C@@H]12 45071201 VOPXBRBTYQNZFZ-HKBFDHSMSA-N 422.091 3.959 10 40 HHCB CC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)N=C2S1 41108072 PCECQQCJANNQQZ-PYDVBCTCSA-N 414.288 3.879 10 40 HHCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3cccc(NS(C)(=O)=O)c3)cc2)C1 260453356 KQJVUIRXEFANIG-IRXDYDNUSA-N 415.559 3.785 10 40 HHCB CCc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)cc1 5954365 IMTWOUPRWIFYHX-UYRXBGFRSA-N 402.406 3.669 10 40 HHCB O=C1C(=Cc2ccc3c(c2)OCO3)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 939274 CHDYZKPIQYZHTR-UHFFFAOYSA-N 412.401 3.999 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c(OC)c1 1261645 YRVWKCWCAKKGEH-SXGWCWSVSA-N 401.465 3.808 10 40 HHCB N=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SC(c3ccco3)=NN12 41076781 ZSPAJXRTDIXMKP-DJYHHWSZSA-N 407.238 3.959 10 40 HHCB COc1ccc(C)cc1/N=N/[C@@H]1C(=O)N(C(=O)CC(=O)Nc2cccc(C)c2)N=C1C 104236515 ZXLDYHNALILNBH-PWKIUMOWSA-N 421.457 3.538 10 40 HHCB Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1 408740283 FIVBMKBYYSXGEE-OQLLNIDSSA-N 401.285 3.589 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCCCOc2ccccc2)c1 2180333 DSRQDXUTSCWFBR-PTGBLXJZSA-N 414.461 3.996 10 40 HHCB COc1ccccc1C(=O)NN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 5005497 LIEPJWBDBNASDH-XNTDXEJSSA-N 404.900 3.895 10 40 HHCB CCOC(=O)c1ccc(N/C=C2/C(=O)N(CCC3=CCCCC3)C(=O)N=C2O)cc1 103123794 AVNIAWMLFZIHNE-NBVRZTHBSA-N 411.458 3.968 10 40 HHCB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 216928207 MBKHMUQEPOOPCD-MRXNPFEDSA-N 403.979 3.889 10 40 HHCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)cc1 409372493 LHQKAJCTPLUKBJ-FYJGNVAPSA-N 416.433 3.829 10 40 HHCB O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(O)cc1 575442964 FLJBUJZYVKEJLA-GHXNOFRVSA-N 410.735 3.731 10 40 HHCB COc1ccccc1C(=O)NN1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S 2426303 DWWLRMVTUJVUQY-WQRHYEAKSA-N 423.519 3.733 10 40 HHCB Cc1ccccc1OCCOCCOc1cccc(/C=C2\SC(=S)NC2=O)c1 4670587 VBPYABQXSGPACE-RGEXLXHISA-N 415.536 3.958 10 40 HHCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc1 5979310 CLUITWRKEJTPHP-XMHGGMMESA-N 408.527 3.585 10 40 HHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(C)cc2)C1=O 409238251 MFAHLCYGUVSSCO-XDJHFCHBSA-N 415.449 3.851 10 40 HHCB CCN(CC)c1ccc([C@@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)cc1 39427805 ONPCHUGOHKMRSG-JOCHJYFZSA-N 416.529 3.730 10 40 HHCB COc1ccc(N2CCN(C(=O)c3ccccc3Nc3nc(C)cc(C)n3)CC2)cc1 225918363 IZLLDOLHVHBUBX-UHFFFAOYSA-N 417.513 3.808 10 40 HHCB O=C(CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(O)cc1 4070692 COGFKRTULQYNRO-DHDCSXOGSA-N 404.900 3.886 10 40 HHCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1ccccc1Cl 17090416 IIJSZHAXXIXEKI-MOSHPQCFSA-N 415.852 3.809 10 40 HHCB CCn1c(/C=C2\C(=O)N(C)c3ccc(Br)cc32)nc2ccccc2c1=O 18117754 BKZWSZIBAPPCMN-PTNGSMBKSA-N 410.271 3.696 10 40 HHCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OC 59136154 WZPHIPOFFOZUKA-JLHYYAGUSA-N 400.431 3.905 10 40 HHCB CCCCCC[C@@H](C)N/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 6397187 WGBTUJCBMCCMQE-OPCAMPFDSA-N 422.323 3.864 10 40 HHCB O=C(NCCO)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 409370350 PHFPULDFDHURHV-HLIPFELVSA-N 413.315 3.998 10 40 HHCB COc1ccc(CN2C(=O)NC(=O)/C(=C/c3c(Cl)cccc3Cl)C2=O)cc1 4456444 LKGYPZUZOPLRRE-ZROIWOOFSA-N 405.237 3.664 10 40 HHCB CCN(CC)C(=S)SCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 5988761 FSDKXRYRKUWWJX-UHFFFAOYSA-N 412.536 3.760 10 40 HHCB Cc1oc2ccc(O)c(CN3CCOCC3)c2c1C(=O)OCCOc1ccccc1 19793999 TXYIPJQFNQGTEX-UHFFFAOYSA-N 411.454 3.515 10 40 HHCB COc1ccc(N2CCN(C(=O)c3cc4ccccc4cc3OC)CC2)c([N+](=O)[O-])c1 33734691 ZGHWEPZYFREOJJ-UHFFFAOYSA-N 421.453 3.728 10 40 HHCB O=C1/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)SC(=S)N1c1ccccc1 59422900 KAIMCSARKKEQRE-NTUHNPAUSA-N 403.397 3.614 10 40 HHCB CC1(C)CC(=O)c2cc(CC(=O)O)n(-c3ccc(I)cc3)c2C1 72221219 JCXGDZZQKALQQA-UHFFFAOYSA-N 423.250 3.864 10 40 HHCB C[C@@H](Nc1cnn(Cc2ccccc2)c(=O)c1Cl)c1ccc(N2CCOCC2)cc1 95377499 QQIXFSGUWGPDIB-QGZVFWFLSA-N 424.932 3.955 10 40 HHCB CCCOCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1OCC 224709650 IGZBMBGQCMGWDA-UHFFFAOYSA-N 412.530 3.983 10 40 HHCB CCN1C(=O)/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)SC1=S 409337942 ABCPRODTDVPUJK-ZSOIEALJSA-N 403.437 3.564 10 40 HHCB CSc1ncccc1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 3452389 XECZLMMQWPRUIO-UHFFFAOYSA-N 424.478 3.979 10 40 HHCB CCOc1cc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(C)=C2C(=O)OC)ccc1O 408893923 OMVKTQBEHBSGIU-UNOMPAQXSA-N 423.465 3.672 10 40 HHCB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1ccc(C(=O)O)cc1 408530231 LLGWRTKANYBAEK-YVLHZVERSA-N 415.492 3.851 10 40 HHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1F 223576006 VHYLRNMEOZWEPO-NHCUHLMSSA-N 410.518 3.593 10 40 HHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(F)cc1 223576478 UNNGWJHUOLWCNV-RTWAWAEBSA-N 410.518 3.593 10 40 HHCB Cc1oc2c(CN3CCOCC3)c(O)ccc2c(=O)c1-c1nc2ccccc2s1 20113095 VCIKTINLLZWWQO-UHFFFAOYSA-N 408.479 3.916 10 40 HHCB biogenic CCN(CC)c1ccc(N/C=C2/C(=O)N=C(S)N(c3ccccc3OC)C2=O)cc1 103222854 MTYLFVFKTZWTEM-VKAVYKQESA-N 424.526 3.696 10 40 HHCB CCCn1cc(/C=C2\C(=O)N=C(O)N(c3ccc(OC)cc3)C2=O)c2ccccc21 2372476 CHEMOPOZBWYKFE-CPNJWEJPSA-N 403.438 3.931 10 40 HHCB O=C(NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(F)cc1 5030839 CEFYNMXAQOJNNC-UHFFFAOYSA-N 404.422 3.728 10 40 HHCB Cc1ccc2nc(NCC(C)C)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(=O)n2c1 13715175 NYTYRZVFQJJMCR-NVNXTCNLSA-N 416.572 3.680 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c1OCC(=O)O 409344639 HTKXHOVKSLOVOM-YBEGLDIGSA-N 415.492 3.873 10 40 HHCB O=C(/C(=C/c1ccc(N2CCCCC2)cc1)c1nc2ccccc2[nH]1)N1CCOCC1 7488846 JDHZAFKIMNTXPY-DYTRJAOYSA-N 416.525 3.953 10 40 HHCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)N3CCC(C)CC3)C2=O)cc1 27530562 RNILXJIWCFHRBL-SFQUDFHCSA-N 404.557 3.545 10 40 HHCB COc1cc(NC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc(OC)c1 35597215 KTYVHRCYPRSDFE-HSZRJFAPSA-N 424.545 3.655 10 40 HHCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NC[C@@H]2CCCO2)cc1 112286439 XWAFANVYALZEQY-RLKVQFJASA-N 409.461 3.628 10 40 HHCB CN(Cc1ccc(N(C)C)cc1)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 12607442 QXLBUBBEBOZPJB-UHFFFAOYSA-N 424.570 3.521 10 40 HHCB CCCCOc1ccc(-c2nc3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n3n2)cc1 5835187 TXHUNPNKIBDFLS-HMMYKYKNSA-N 420.538 3.611 10 40 HHCB CCN(CC)c1ccc(CN2CCc3c(O)nc(N4CCC[C@H](C)C4)nc3C2)cc1 72347341 YFNVMPYNPPEADY-SFHVURJKSA-N 409.578 3.823 10 40 HHCB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3nnc(C)s3)C2=O)cc1 2216493 VEOPWHNAZQMVTQ-GXDHUFHOSA-N 418.569 3.775 10 40 HHCB CCOc1ccc(/C=C2\SC(=S)N([C@@H](CC(C)C)C(=O)O)C2=O)cc1OC 5371463 FIIIQTBZIMUXEH-ATTDUZETSA-N 409.529 3.794 10 40 HHCB CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)NC2=S)cc1 693786 BSXMPOHGOBOKCK-HMMYKYKNSA-N 401.491 3.871 10 40 HHCB O=C(O)[C@@H](Cc1ccccc1)NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12 940540 LBUXRSIZBJQCAB-OAQYLSRUSA-N 415.445 3.951 10 40 HHCB biogenic COc1cc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc(Br)c1O 9367945 QCXFKORJOSQSEG-NTUHNPAUSA-N 423.313 3.964 10 40 HHCB Cc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)s1 12276172 NMSUGKJPAWXRHZ-LCYFTJDESA-N 422.532 3.606 10 40 HHCB Cc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc(O[C@H](C)C(=O)O)cc3)C2=O)c1C 16350005 VIXVRUGOXFYVEY-RQNDZEIBSA-N 408.410 3.662 10 40 HHCB CN1CCCc2cc([C@@H](CNC(=O)c3cccc(Cl)c3)N3CCOCC3)ccc21 16838333 QDZPGHKFOLRXBO-JOCHJYFZSA-N 413.949 3.526 10 40 HHCB O=C(O)c1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc1 33149446 PGZLTTMKDSSVFU-NTEUORMPSA-N 415.199 3.654 10 40 HHCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 101148299 LVIYHYKXAMBBIU-MDWZMJQESA-N 417.765 3.581 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC 408782275 GPHXIIWSLHQPCQ-LDADJPATSA-N 408.454 3.767 10 40 HHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OC 408803768 AGNNKLYEEWUHPR-OVCLIPMQSA-N 414.845 3.640 10 40 HHCB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 4541586 RCOVVKZLKIXJQP-UHFFFAOYSA-N 408.454 3.907 10 40 HHCB CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](N/C=C1/C(=O)NC(=O)N(c3ccc(Cl)cc3)C1=O)C2 105343676 RWBUMSZPGMQAES-HFEZCWFPSA-N 401.894 3.611 10 40 HHCB COCCOC(=O)[C@H](C)N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S 1783261 XBZRKSCQYOSCKH-IGWPVBGESA-N 401.509 3.619 10 40 HHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)c(OC)c(OC)c2)C1=O 408875657 GSSHSRKGVNTCML-ZROIWOOFSA-N 414.845 3.586 10 40 HHCB O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1ccc(N2CCCCC2)cc1 35316705 HDOHNINOFNNCNV-UHFFFAOYSA-N 413.905 3.945 10 40 HHCB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 1092458 ANGUDMWXEAAKLO-XSFVSMFZSA-N 416.433 3.914 10 40 HHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(O)cc1 223618192 YFGWCIMWUMJGIC-FCHUYYIVSA-N 422.554 3.550 10 40 HHCB COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2)c1 41078454 ISRSMHPNVPIDMV-ZRQPATBQSA-N 419.437 3.603 10 40 HHCB COc1ccc(-c2csc(NC=C3C(=O)OC4(CCCCC4)OC3=O)n2)cc1 35592641 BXDMTEUQJFNZLZ-UHFFFAOYSA-N 400.456 3.875 10 40 HHCB COC(=O)c1ccc(OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 3377648 NCZCBUGYHRHERY-UHFFFAOYSA-N 407.422 3.871 10 40 HHCB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1ccc(N2CCCCCC2)cc1 8425342 OASCLNPOIKSQIM-NTCAYCPXSA-N 416.525 3.975 10 40 HHCB O=S(=O)(c1ccc(/C=C/c2ccc(N3CCOCC3)cc2)s1)N1CCCC1 8721445 ZBDNIIONEOXOSS-VMPITWQZSA-N 404.557 3.540 10 40 HHCB CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccc(OC)cc2)CC1 57670807 KVUFGSOELGKXIN-QFIPXVFZSA-N 424.524 3.533 10 40 HHCB COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C 222765227 IRVAKZHEVSJBHF-LEWJYISDSA-N 420.538 3.878 10 40 HHCB COc1ccc(N2CCN(C(=O)c3ccc4nc(C(F)(F)F)[nH]c4c3)CC2)cc1 13692421 CZMSTARPAGHEAQ-UHFFFAOYSA-N 404.392 3.553 10 40 HHCB COC(=O)Cc1c(C)c2ccc(O)c(CNc3ccc(OC)c(Cl)c3)c2oc1=O 8914281 ZLMWCKNVOLAZOH-UHFFFAOYSA-N 417.845 3.797 10 40 HHCB CCCCN1C(=O)/C(=C/Nc2cc(C(F)(F)F)ccc2Cl)C(=O)NC1=S 9350954 HSIIMXPMHUCWKN-CSKARUKUSA-N 405.829 3.698 10 40 HHCB COc1ccc(N2CC[C@]3(CN(C(=O)Cc4ccc(F)cn4)CCC3(F)F)C2)cc1 1614928641 PTJBCKAHPSEYGL-OAQYLSRUSA-N 419.447 3.536 10 40 HHCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3ccccc3F)C2=O)cc1 5034002 RRQRJMUZVMSXDY-ZHZULCJRSA-N 417.440 3.904 10 40 HHCB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 40104483 PSQUUHBCLAKURX-UHFFFAOYSA-N 410.518 3.803 10 40 HHCB O=C(CN1CCN(Cc2c(O)ccc3ccccc23)CC1)Nc1ccccc1Cl 20636886 SQWHURNUKRHARS-UHFFFAOYSA-N 409.917 3.955 10 40 HHCB NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 4982762 YNCXHXYZTLIZTO-MPGHIAIKSA-N 405.317 3.923 10 40 HHCB in-vitro Cc1cc(-c2csc(NC(=O)CN3CSCC3=O)n2)c(C)n1-c1ccccc1 6821852 UXWMJLMRTFDXDH-UHFFFAOYSA-N 412.540 3.689 10 40 HHCB CCn1c(SCC(=O)c2ccc(O)c(O)c2)nc2cc3ccccc3cc2c1=O 7577860 VFQMULUNKLCRIL-UHFFFAOYSA-N 406.463 3.956 10 40 HHCB CCCCCC1=NN2C(=N)/C(=C/c3cc(OC)c(O)c(OC)c3)C(=O)N=C2S1 41083160 QHZZCBJVFYQKJB-LIFNGZQPSA-N 402.476 3.609 10 40 HHCB C[C@H]1CCCN(c2nc(O)c3c(n2)CN(Cc2c(O)ccc4ccccc24)CC3)C1 72347345 XHMAQZVKFYSCNS-INIZCTEOSA-N 404.514 3.836 10 40 HHCB CN(C)c1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1Br 409095188 HKZWSQJORGPNNX-MHWRWJLKSA-N 418.266 3.747 10 40 HHCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)c(F)c2)C(=O)NC1=S 409226302 MSUVRHOZPRDOAH-GHRIWEEISA-N 423.513 3.956 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1 2301494 DQEDMBUQJNJGRF-LDADJPATSA-N 416.389 3.620 10 40 HHCB CN1C(=O)/C(=C/c2ccccc2OCCOc2ccc([N+](=O)[O-])cc2)SC1=S 2963021 HGGIEOSNKVTJPB-ATVHPVEESA-N 416.480 3.884 10 40 HHCB CN1CCc2cc([C@H](CNC(=O)COc3ccc(F)cc3)N3CCCCC3)ccc21 13007831 QUSJOGXMHAAQPG-QHCPKHFHSA-N 411.521 3.540 10 40 HHCB CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)cc21 260921019 OBTIEOXXVDFLMT-SFTDATJTSA-N 408.571 3.678 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1O 408892046 ADJLHSVBQZVOAO-RIYZIHGNSA-N 414.845 3.728 10 40 HHCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1c(F)cccc1Cl 408966988 RLJWUJDWOJKPLW-XYOKQWHBSA-N 423.625 3.908 10 40 HHCB C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21 409125009 IPCRECSVSICMCL-JVVDOCDTSA-N 413.568 3.873 10 40 HHCB CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc([N+](=O)[O-])ccc4C)c3C)C(=O)N=C2S1 9293471 KFGZNTWJYWJINU-HNOGDHAQSA-N 422.470 3.950 10 40 HHCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl 409060398 ZNWBRSGHWZPFRP-NTUHNPAUSA-N 421.236 3.764 10 40 HHCB C[C@H](Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-])c1ccccc1O 12523203 RWEMWKNEQKMNIE-CABCVRRESA-N 419.503 3.894 10 40 HHCB COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1OC 16693365 NZXNQYIEJAEOGP-CXUHLZMHSA-N 401.465 3.808 10 40 HHCB CCCC[C@@H](CC)COCCCN/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 102411556 JZTFAHZEIWARHU-AQRXXJNJSA-N 415.534 3.674 10 40 HHCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CC[C@@H](CC)C2 100507676 AVSFNVCPZFZDDL-BCBCSNLJSA-N 417.527 3.901 10 40 HHCB Cc1ccc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)o1 2370350 IUUCNYGHKHGYAG-LFIBNONCSA-N 411.508 3.792 10 40 HHCB COc1ccccc1Nc1nc(N)nc(CSc2ncc(-c3ccccc3)n2C)n1 8252381 RMOSPCSDXZYTBS-UHFFFAOYSA-N 419.514 3.899 10 40 HHCB COc1cc(OC)c(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1Cl 409130757 NCWZDKVQYFLHGI-SXGWCWSVSA-N 402.859 3.758 10 40 HHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl 408801590 WFEDNXATEPDDIK-XNTDXEJSSA-N 400.818 3.501 10 40 HHCB CCOc1cc(/C=C2\SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)ccc1O 13122609 FESYXZABNCGZDN-ZFOVBUMHSA-N 415.492 3.818 10 40 HHCB COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c(OC)c1 5372305 XHBMYDLYVCQDSG-IUXPMGMMSA-N 401.465 3.838 10 40 HHCB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(N(C)C)cc1 40484574 YFNNQLCHDLKHRF-OAQYLSRUSA-N 418.501 3.670 10 40 HHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1N1CCCC1 408900798 VDLHKNHNERMSES-QGOAFFKASA-N 409.873 3.915 10 40 HHCB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1 4684762 MJIGJULTTKHJGT-OAQYLSRUSA-N 402.502 3.889 10 40 HHCB O=C1/C(=C\Nc2ccc(Cn3cncn3)cc2)SC(=S)N1CCc1ccccc1 8993581 NVHZCIZVPRMRBK-XDHOZWIPSA-N 421.551 3.683 10 40 HHCB COc1ccc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)c2C)c1 33656936 LCWYYMBMSBOLKP-KCBCAQTCSA-N 423.498 3.750 10 40 HHCB N=C1/C(=C/c2c(-c3ccccc3)nc3sc(C4CC4)nn23)C(=O)N=C2SC=NN12 41074284 OZUIVEQIQARQRE-ULUISBJDSA-N 419.495 3.584 10 40 HHCB O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1ccc(O)cc1 408780581 FLJBUJZYVKEJLA-KPKJPENVSA-N 410.735 3.731 10 40 HHCB COC(=O)c1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1 409043233 YKQKOWDDERVRON-YRNVUSSQSA-N 410.298 3.975 10 40 HHCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Cl)c1O 409182912 PZJDBHAFOWDFOR-ZROIWOOFSA-N 420.899 3.600 10 40 HHCB Cc1ccc(N2C(=O)/C(=C\c3cc(Br)cs3)C(=O)NC2=S)c(C)c1 9262625 LTHAYWHNTOVDFB-QPEQYQDCSA-N 421.341 3.959 10 40 HHCB Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(O[C@H](C)C(=O)O)cc3)C(O)=NC2=S)c1 17194835 JVWBRFXQMKNNSY-JVVDOCDTSA-N 424.478 3.827 10 40 HHCB C[C@@H](NC(=O)CCc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(N2CCCCC2)cc1 19714240 QGAVZRLEHZVXAY-GOSISDBHSA-N 420.557 3.677 10 40 HHCB COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)on2)cc1 19718904 ABRCSHDXDMXGSD-INIZCTEOSA-N 407.470 3.678 10 40 HHCB CCCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 4124229 PLOPPQXIMUZDQH-KNPMLCFXSA-N 403.500 3.655 10 40 HHCB O=C1/C(=C\c2cc3ccccc3oc2=O)SC(=S)N1c1ccc2c(c1)OCO2 409334721 VXHVNRQWGDXPTJ-CAOOACKPSA-N 409.444 3.928 10 40 HHCB COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4cccc(Cl)c4)C3=O)o2)cc1 32099478 QPSVTHYGMACVFP-PDGQHHTCSA-N 422.824 3.848 10 40 HHCB CN1CCN(c2ccc(CNC(=O)CCc3c(Cl)cccc3Cl)cc2)CC1 225363130 DCWLEXBXQLYJEW-UHFFFAOYSA-N 406.357 3.994 10 40 HHCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4cccc(C)c4)cc3)C(=N)N2O1 41078466 OEEXELUEMCXOKV-KAWQFOENSA-N 403.438 3.903 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c1OC 1306906 VMBSXQIFMSBINB-WJDWOHSUSA-N 414.508 3.558 10 40 HHCB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S 54361177 QSCFCDMEZDKZBI-LVSMMTLPSA-N 421.503 3.527 10 40 HHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/c1ccc(N(C)C)cc1 9720995 CDHIOASFIWLNKB-FOWTUZBSSA-N 420.494 3.712 10 40 HHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC)c(OCC)c3)C2=O)cc1 15219366 KKGSBBXDTXFNDS-AQTBWJFISA-N 424.453 3.549 10 40 HHCB Cc1nc([C@@H]2CCCN(Cc3ccc(N4CCCC4)cc3)C2)nc2c1CCC(=O)N2C 19741289 HZIJKGMYMRMACR-HXUWFJFHSA-N 419.573 3.674 10 40 HHCB COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C(=O)O)c3)C2=O)ccc1O 5373387 SFDVQGPCXYTDCX-PXNMLYILSA-N 401.465 3.813 10 40 HHCB O=C1N=C(S)N(Cc2ccc(F)cc2)C(=O)/C1=C\Nc1cccc(C(F)(F)F)c1 103126099 VKBZZMLZXPNZHY-DHDCSXOGSA-N 423.391 3.995 10 40 HHCB Cc1c(N2C(=O)[C@@H](C)S[C@@H]2c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C 19926830 XUWZKKASJSDUSI-WAIKUNEKSA-N 422.554 3.718 10 40 HHCB O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)ccc1O 4194760 FESOWBQMOCAPBN-VHEBQXMUSA-N 404.429 3.763 10 40 HHCB in-man CCOC(=O)c1sc(NC(=O)CSc2ncc(-c3ccccc3)n2C)nc1C 7423197 HENNLSHRYUGEDD-UHFFFAOYSA-N 416.528 3.760 10 40 HHCB CC(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 22665292 NZJKJFXRCFMANK-XMMPIXPASA-N 408.590 3.778 10 40 HHCB CN1CCCc2cc([C@H](CNC(=O)Nc3ccc4c(c3)OCO4)N3CCCC3)ccc21 35597172 GJKNYCMDYHEMMP-NRFANRHFSA-N 422.529 3.756 10 40 HHCB COc1ccc2occ(/C=C3\C(=N)N4C(=NC3=O)Sc3ccccc34)c(=O)c2c1 4635871 SQXURLNKEAMYMR-RCTVDGIPSA-N 403.419 3.671 10 40 HHCB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc2nccnc2c1 9764052 QBZWXRTWTYGYJO-PDGQHHTCSA-N 420.519 3.860 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC(=O)c1ccc(Cl)cc1 16134436 VPLVBONSCBDQQB-UHFFFAOYSA-N 400.906 3.798 10 40 HHCB CN1CCN(c2ccc(CNC(=O)CCc3ccc(Cl)cc3Cl)cc2)CC1 225379911 ZBPNAIAKASSNPF-UHFFFAOYSA-N 406.357 3.994 10 40 HHCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3F)C(C(=O)OC)=C2C)cc1 4699096 AKVYAJISWILOCR-AQTBWJFISA-N 409.413 3.880 10 40 HHCB COc1ccc(N2CCN(c3nc(C)c4c(n3)C[C@H](c3ccco3)CC4=O)CC2)cc1 10156618 YSFIWCREYINPBW-KRWDZBQOSA-N 418.497 3.626 10 40 HHCB C[C@H](Sc1nncn1C1CC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 10648748 WULOBJGWESDZKM-LBPRGKRZSA-N 418.478 3.508 10 40 HHCB CCCCc1nnc(NC(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)s1 12273956 QATHJZRXEYCJFP-JLHYYAGUSA-N 418.569 3.964 10 40 HHCB COc1ccc(OC[C@@H](O)CN(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 12321449 MOLHYWDXAINABY-NRFANRHFSA-N 410.514 3.796 10 40 HHCB COc1ccc(N2CCN(C(=O)CN[C@H](C)c3cccc(C(F)(F)F)c3)CC2)cc1 12553653 OKYYWPSKHJQUFR-MRXNPFEDSA-N 421.463 3.713 10 40 HHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCCC3)cc2)C1=O 408960217 JTBRLUQRVNAKMM-CAPFRKAQSA-N 403.482 3.906 10 40 HHCB CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)NC1=S 9328601 YIJNLFDOFACERT-LFIBNONCSA-N 400.887 3.566 10 40 HHCB Cc1cc(O)c(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1C(C)C 25718992 LIUFBIDSHCVRES-UHFFFAOYSA-N 422.978 3.984 10 40 HHCB O=C1N=C(O)/C(=C/c2coc3ccc(O)cc3c2=O)C(=O)N1c1ccc(Cl)cc1 33531284 TXRGBSYDSYHVJO-CHHVJCJISA-N 410.769 3.659 10 40 HHCB COc1ccc2cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)[nH]c2c1 58419133 BLIKYILLDULHBF-GJZGRUSLSA-N 411.477 3.859 10 40 HHCB COC(=O)c1cc(Br)c(NC(=O)NCc2ccc(N(C)C)cc2)s1 83854289 DBKKECZYXHRQBI-UHFFFAOYSA-N 412.309 3.685 10 40 HHCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C 223043338 UTSYFGCVEUADHF-FCHUYYIVSA-N 421.570 3.893 10 40 HHCB CSc1cccc(N2C(=O)/C(=C\c3ccccc3OCC(N)=O)SC2=S)c1 409339661 KEFSMMBBRJEAEC-CXUHLZMHSA-N 416.549 3.678 10 40 HHCB CCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)C(=O)N(c2ccccc2)C1=S 4668690 GRIAGFHAJQSJQC-GHRIWEEISA-N 410.495 3.658 10 40 HHCB COc1ccc(N2CCN(C(=O)c3cc(C4CC4)nn3-c3ccccc3)CC2)cc1 8193018 AVFWJQGDVIOTDY-UHFFFAOYSA-N 402.498 3.721 10 40 HHCB COc1cccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)c1OC 32707946 BLDGGQFSEYDOEA-OVCLIPMQSA-N 417.464 3.513 10 40 HHCB COc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1Br 40938362 DRRWXRZEFRXGBB-XYOKQWHBSA-N 416.318 3.524 10 40 HHCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OC 408870136 VENHHKHGRNKVDZ-WQLSENKSSA-N 418.808 3.553 10 40 HHCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccccc1OCc1ccccc1 408891875 DMJQKORJJIONMN-PGMHBOJBSA-N 421.493 3.975 10 40 HHCB COc1ccc(OC)c([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)c1 12391620 ZYDZPUNOLVTHBD-KRWDZBQOSA-N 420.465 3.752 10 40 HHCB CCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC 107793735 SQRWMVIYFRJLTD-QGOAFFKASA-N 424.453 3.549 10 40 HHCB O=C(NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)c1ccccc1[N+](=O)[O-] 1812257 TWKJQTUFPMMNHA-SXGWCWSVSA-N 424.463 3.622 10 40 HHCB CCN(CC)c1ccc(N/C=C2/C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc1 2216859 CLUITWRKEJTPHP-RGEXLXHISA-N 408.527 3.585 10 40 HHCB O=C(O)CCCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2289365 HZJKOFNHLUILSC-XNTDXEJSSA-N 418.452 3.921 10 40 HHCB COc1cc(/C=C2/SC(N)=NC2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 6229888 VLUZLCHLMIAEFH-QGMBQPNBSA-N 412.511 3.746 10 40 HHCB COc1ccc(N2CCC(N3CCC(O)(COc4ccccc4F)CC3)CC2)cc1 585282233 ZXEMVDSUXUBOGX-UHFFFAOYSA-N 414.521 3.709 10 40 HHCB CCCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCC2 5793543 HRLXEJZZCIFVET-KOZAUXTDSA-N 405.516 3.879 10 40 HHCB Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@@H](c2ccc4c(c2)OCO4)C1)CCCC3 12297042 JCHCHMVVCHQLIH-MRXNPFEDSA-N 418.449 3.853 10 40 HHCB biogenic CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Br 408819025 WIXUAZFUYQRFAA-GXDHUFHOSA-N 415.243 3.514 10 40 HHCB CC[C@@H](C)Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC 33914318 WGPXLMVFQWAAHT-VVBXCHJUSA-N 400.862 3.987 10 40 HHCB CC1CCN(c2ccc([C@H](C)NC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)CC1 218402178 DAWUWOCGDAFZCY-KRWDZBQOSA-N 415.559 3.785 10 40 HHCB O=C1N=C(N2CCCC2)S/C1=C\c1ccccc1OS(=O)(=O)c1ccccc1 2420132 FWWGNALZFIKESZ-JXAWBTAJSA-N 414.508 3.520 10 40 HHCB CCOC(=O)c1c(C)n[nH]c1/N=N/[C@@H]1C(=O)N(c2ccccc2)N=C1c1ccccc1 8426456 ZYLRHQICOVSFPF-RVYVDECRSA-N 416.441 3.798 10 40 HHCB CC(C)N1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@@H](c1ccccc1O)N2 65297919 DKNBTSNKQUQKMF-FQEVSTJZSA-N 407.514 3.845 10 40 HHCB biogenic O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1c(Cl)cccc1Cl 409217648 RDNAUYCSFIIJEV-XYOKQWHBSA-N 406.181 3.568 10 40 HHCB O=c1ccc2ccc(O)c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@@H]43)c2o1 524729872 MJNBWCXFQYNSNU-JGUFOIBDSA-N 406.526 3.894 10 40 HHCB biogenic O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2c2ccccc2)cc1 5201092 HAHIFFPQESYUPS-UNOMPAQXSA-N 412.401 3.948 10 40 HHCB CCOc1ccccc1N/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1CC(=O)OC 112290867 WKLLSFTYYIQMQJ-JCMHNJIXSA-N 423.469 3.746 10 40 HHCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c1C 9293611 VNSNGSYYKCDVMI-OEMMCLACSA-N 423.454 3.788 10 40 HHCB CCN(CCNC(=O)c1cccc(I)c1)c1ccc(OC)cc1 224967229 ZZFBVWKPAOZAMK-UHFFFAOYSA-N 424.282 3.556 10 40 HHCB O=C1c2ccccc2C(=O)C1C(C(=O)c1ccccc1)C1C(=O)c2ccccc2C1=O 100926872 SAQBNNYOZUMNIV-UHFFFAOYSA-N 408.409 3.876 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(CC(=O)OC3CCCCC3)C2=O)c(OC)c1 27563331 NNNMBNHSIYPAHS-YVLHZVERSA-N 421.540 3.781 10 40 HHCB CCOc1cc(/C=C2\C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)cc(Cl)c1O 38169536 GSOLEQAVWYROFO-QPEQYQDCSA-N 402.790 3.657 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1OCC 408810148 OZPDWXFHRZXILY-SFQUDFHCSA-N 408.454 3.767 10 40 HHCB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCc2ccccc2)c1 33410711 LDMHGWFECLPASM-JCMHNJIXSA-N 413.477 3.793 10 40 HHCB C[C@@]1(O)CCN(Cc2ccccc2O)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 604383085 HBEPVBRKVINNRM-SONWIMMPSA-N 408.542 3.765 10 40 HHCB biogenic,in-vitro COc1cc(N2CCOCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 260784016 UQMGUZKDCXJUIC-GQWLDOHISA-N 410.543 3.516 10 40 HHCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)o2)c([N+](=O)[O-])c1 16712291 WEGNOMAYESZSQM-DHDCSXOGSA-N 418.452 3.839 10 40 HHCB CCOc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1OC 13750028 RHUAIAQPNUZEBC-VBKFSLOCSA-N 409.529 3.940 10 40 HHCB C[C@H](C(=O)Nc1ccccc1C(=O)O)N1C(=O)/C(=C\c2cccs2)SC1=S 28296926 IAUYHGGROVNFRM-GMROUXNLSA-N 418.521 3.675 10 40 HHCB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CC[C@H](C)C2 102636276 KTHFHVLRIZBOIV-NTLKJNNPSA-N 417.527 3.901 10 40 HHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1 223614804 GQALRJUWVACGBY-VXKWHMMOSA-N 406.555 3.844 10 40 HHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 223673072 HVMXVWKLFQESLA-FGZHOGPDSA-N 420.538 3.716 10 40 HHCB O=c1ccc2ccc(O)c(CN3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@@H]56)[C@H]43)c2o1 526052538 MJNBWCXFQYNSNU-ORVPSHMPSA-N 406.526 3.894 10 40 HHCB C[C@H](NC(=O)c1ccccc1NS(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 218397041 UOYHPQFKRNPNQR-SJORKVTESA-N 415.559 3.785 10 40 HHCB CCCC(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1 23181525 WPYMFTFXUDYVDQ-VGSWGCGISA-N 401.576 3.925 10 40 HHCB COc1cc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)ccc1O 85875107 YJVXMICMSUQCMW-UHFFFAOYSA-N 421.409 3.997 10 40 HHCB biogenic Cc1cc(NC(=S)NCCCN2CCc3ccccc32)ccc1N1CCCC1=O 225561135 KZIDPOQGMULGOY-UHFFFAOYSA-N 408.571 3.861 10 40 HHCB CN1CCCc2cc([C@H](CNS(=O)(=O)c3cccc4ccccc34)N(C)C)ccc21 8798896 YHADBJLEJJKGFP-QHCPKHFHSA-N 423.582 3.803 10 40 HHCB O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc(Br)cc1 10113201 VWBYJIPLSYHOMJ-UHFFFAOYSA-N 409.349 3.918 10 40 HHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OC 408810532 TWMJPKAHSDZWSU-AWNIVKPZSA-N 421.236 3.677 10 40 HHCB Cc1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 5277466 YJIZVSMYZDNEAA-UHFFFAOYSA-N 417.868 3.934 10 40 HHCB CCOc1ccc(N2C(=O)/C(=C\c3c(C)n(C)c4ccccc34)C(=O)NC2=S)cc1 4472028 XWCURWNWCHODKM-UYRXBGFRSA-N 419.506 3.717 10 40 HHCB COc1ccc(N2CCN(C(=O)c3cc4cc(Br)ccc4[nH]3)CC2)cc1 6661401 CQMHSLGRBDLCJB-UHFFFAOYSA-N 414.303 3.901 10 40 HHCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 9805871 BRFODMILZVFBHG-FOWTUZBSSA-N 423.881 3.668 10 40 HHCB CCN(CC)c1ccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(OC)c1 408721549 SPBDEGYPMAQJMR-MTJSOVHGSA-N 407.539 3.929 10 40 HHCB Cn1cc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C2CCCC2)cn1 95477914 NUKFSTHFLJUQPV-UHFFFAOYSA-N 405.414 3.963 10 40 HHCB COc1ccc(N2CCN(Cc3cc4c(cc3Br)OCCO4)CC2)cc1 7489722 AZNUSCAYZOEZAH-UHFFFAOYSA-N 419.319 3.551 10 40 HHCB O=C1OC2(CCCC2)OC(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CCCCCC1 59489885 OUHLHVYBMWHYNO-UHFFFAOYSA-N 400.431 3.729 10 40 HHCB COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc4c(c3)Cc3ccccc3-4)C2=O)c1 4824966 CQCOFKICZPMFBA-UUYOSTAYSA-N 410.429 3.933 10 40 HHCB CCOc1ccc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 15015198 LMLCXGUMHVTMFU-PGMHBOJBSA-N 407.539 3.873 10 40 HHCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 9310629 DHSHIKUVFACDCR-NTEUORMPSA-N 403.441 3.622 10 40 HHCB CCCCN1CCc2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)ccc21 9464046 VBLWDHJOGDCMRC-SAPNQHFASA-N 423.513 3.820 10 40 HHCB CCCCOc1ccc(/C=C2\SC(=S)N([C@@H](CC)C(=O)O)C2=O)cc1OC 16712301 NFABKTUPJJQJHP-RERGGYADSA-N 409.529 3.939 10 40 HHCB COc1ccc(N2CCN(C(=O)c3cn(CC(C)C)c(=O)c4ccccc34)CC2)cc1 79484375 GUUMJGWVUMMYSI-UHFFFAOYSA-N 419.525 3.629 10 40 HHCB O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1CNc1ccc([N+](=O)[O-])cc1 2049236300 PGMCLNXWQWEGMR-UHFFFAOYSA-N 416.440 3.774 10 40 HHCB COc1ccc(OC)c(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c1 1244490 UYXWIHXEICHGIJ-BOPFTXTBSA-N 414.508 3.558 10 40 HHCB CCCCc1nnc(NC(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)s1 1806896 CTLQZEGMFHNWLM-RAXLEYEMSA-N 418.569 3.721 10 40 HHCB CC(C)n1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21 2386382 UKKYUBVJCMZFKK-RQZCQDPDSA-N 417.421 3.617 10 40 HHCB COc1ccc([C@@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCS3)cc1OC 2966026 JWNSIYQELRYPCB-FQEVSTJZSA-N 405.927 3.528 10 40 HHCB COc1ccccc1N1C(=O)/C(=C\c2c(OC)ccc3ccccc23)C(=O)NC1=S 409168806 TXOGJKKPJAIQQQ-LGMDPLHJSA-N 418.474 3.688 10 40 HHCB CCOc1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)C(C(=O)OC)=C2C)cc1 4860525 ZRFZDHNHNFFLPU-CPNJWEJPSA-N 408.410 3.871 10 40 HHCB COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCCCCC4)C3=O)c2C)cc1 6790047 GTJZBARCOOVUFK-UHFFFAOYSA-N 423.513 3.930 10 40 HHCB CN1CCN(Cc2cc(Cc3c[nH]c4cc5ccccc5cc4c3=O)ccc2O)CC1 22942508 XGWOBGNVJLRKCS-UHFFFAOYSA-N 413.521 3.725 10 40 HHCB O=C(Nc1ccccc1Cn1cccn1)N(Cc1ccccc1O)C[C@H]1CCCO1 72270537 VXZIGIUQFZBQDC-HXUWFJFHSA-N 406.486 3.850 10 40 HHCB Cc1ccccc1N1C(=O)N=C(O)/C(=C\NC2CCN(Cc3ccccc3)CC2)C1=O 103096869 FLFXZOBYJQFUHF-HMMYKYKNSA-N 418.497 3.556 10 40 HHCB C[C@H](C(=O)Nc1cccc(C(=O)O)c1)N1C(=O)/C(=C/c2cccs2)SC1=S 10434582 QZAPNTGPYHULRL-AHEVQNHNSA-N 418.521 3.675 10 40 HHCB CCOC(=O)c1cnc(NC2=NC(=O)/C(=C\c3cccc4ccccc34)S2)nc1O 12860312 VIWTWMRPDZRBCM-MHWRWJLKSA-N 420.450 3.595 10 40 HHCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 1908107 YLRBQUTWXSKNQY-QIMWGGGBSA-N 420.295 3.513 10 40 HHCB COc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1Cl 5703273 OTDJNWMTDJEFFP-PKNBQFBNSA-N 406.225 3.581 10 40 HHCB COc1cc(NC(=O)c2cc3ccccc3cc2OC)c(N2CCOCC2)cc1OC 12324295 IWJVIBAPPFTUPN-UHFFFAOYSA-N 422.481 3.955 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)cc1 13603239 UAPQBDMDGQDOQX-ATVHPVEESA-N 414.508 3.631 10 40 HHCB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3)C2=O)o1 33794343 JHDWHHZDQAFEMQ-LDADJPATSA-N 412.467 3.903 10 40 HHCB COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)c1 222764890 VLAMTZVXDBSRJJ-RTWAWAEBSA-N 420.538 3.878 10 40 HHCB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O 409107762 UKBXGDHTAGEPPW-JLHYYAGUSA-N 404.850 3.709 10 40 HHCB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)o3)C(=O)NC2=S)cc1 409221009 JFGGFWLFJZBJNR-QGOAFFKASA-N 409.511 3.835 10 40 HHCB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(N(C)C)c(Br)c3)C2=O)cc1 409237001 UKKHCGFBIWQDJL-GZTJUZNOSA-N 414.303 3.916 10 40 HHCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1c[nH]c2ccccc12 19938226 JSTVDADFELTQSW-STZFKDTASA-N 402.523 3.956 10 40 HHCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S 27530445 YYJUTHLBHROJKD-VUUNSECVSA-N 420.295 3.513 10 40 HHCB CC[C@H](C)Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC 33914320 WGPXLMVFQWAAHT-HNEYUBDGSA-N 400.862 3.987 10 40 HHCB O=C1OC2(CCCC2)OC(=O)C1=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 58865993 XUGBKSRDFDSZGN-UHFFFAOYSA-N 409.394 3.928 10 40 HHCB CCN(CC)c1ccc(N/C=C2/C(=O)N=C(S)N(c3ccc(F)cc3)C2=O)cc1 102515660 GHHSZGIAJRFGEP-AQTBWJFISA-N 412.490 3.827 10 40 HHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccccc1 102654003 VAPXRDXKFUWAHS-UYRXBGFRSA-N 406.467 3.948 10 40 HHCB CC(=O)Nc1ccc(C(=O)N2N=C(C)/C(=C\c3c(O)ccc4ccccc34)C2=O)cc1 102921867 AQZMOEUWZUWAAZ-DEDYPNTBSA-N 413.433 3.946 10 40 HHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(F)cc3)C2=O)c1 408961178 LCBKFLQSPLTSQS-DEDYPNTBSA-N 403.413 3.900 10 40 HHCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 408997494 MRRUTYRVHRRMLK-UNOMPAQXSA-N 423.465 3.585 10 40 HHCB COc1ccc2nc(/C=C3/SC(=S)N([C@H](C(=O)O)C(C)C)C3=O)ccc2c1 9423630 SXSLAJFRSAEVDU-LRQZKABGSA-N 402.497 3.554 10 40 HHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OC(C)C 408819179 YLCWHJOSHNGWOD-GZTJUZNOSA-N 408.454 3.766 10 40 HHCB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(OC)c1 409061627 YSTCWWOBUQQXER-PDGQHHTCSA-N 409.438 3.590 10 40 HHCB CC[C@H](C)c1ccccc1OC(=O)CSc1nc(-c2ccco2)nc2cc(=O)[nH]n12 41078208 BIFBVZCYEBTHFL-ZDUSSCGKSA-N 424.482 3.889 10 40 HHCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 83324772 HYGOXJRZVVDATN-DEDYPNTBSA-N 402.406 3.521 10 40 HHCB Cc1ccccc1N1C[C@@](O)(c2ccc(Br)cc2)[N+]2=C1SCCC2 1455314 SRBLJCCYAMIQLV-LJQANCHMSA-N 404.353 3.928 10 40 HHCB CC(C)N1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 100626337 JRJLYCYGHKJFHH-AQNXPRMDSA-N 413.905 3.661 10 40 HHCB COc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc1OC 27530363 STCBGADZKBEIDQ-LZYBPNLTSA-N 417.464 3.513 10 40 HHCB C[C@@H]1CCc2c(sc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2C(N)=O)C1 13061753 SWKUMRAJPFJQGO-SECBINFHSA-N 418.462 3.791 10 40 HHCB N=C1/C(=C/c2cccn2Cc2ccccc2)C(=O)N=C2SC(N3CCCCC3)=NN12 41084778 AAIZYPZIGLDZIM-FJRYHWHXSA-N 418.526 3.599 10 40 HHCB Cc1[nH]c2ccccc2c1/C=C1/C(=O)NC(=O)N(c2cccc(Br)c2)C1=O 16249729 JJOVXGFBLFFHOQ-YBEGLDIGSA-N 424.254 3.905 10 40 HHCB COc1ccc([C@@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCS3)cc1 9369191 XXWNDHLYPSKIQB-IBGZPJMESA-N 420.352 3.628 10 40 HHCB Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)N(C)Cc3cccc(F)c3)sc2n1 28996914 PJSHDXNSEUUVPI-ZDUSSCGKSA-N 415.490 3.838 10 40 HHCB COc1cc(NC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc(OC)c1 35597216 KTYVHRCYPRSDFE-QHCPKHFHSA-N 424.545 3.655 10 40 HHCB COc1ccc(N2CCN([C@H](CNC(=O)C3CCCCC3)c3ccco3)CC2)cc1 56946083 AOQALORSKZNQDP-JOCHJYFZSA-N 411.546 3.848 10 40 HHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccc(OC)cc1 223033441 XVSXWYYOBXQFDA-YADHBBJMSA-N 422.554 3.808 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)C(=O)NC2=S)cc1Cl 408818678 QBHKSGGVKDUPPA-CXUHLZMHSA-N 409.898 3.971 10 40 HHCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 408859076 VWSFZZDMYJABOG-DHZHZOJOSA-N 422.249 3.733 10 40 HHCB CCN(CC)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(C)=O)cc1 55112346 XOWSUJVGLNYDSE-JTHBVZDNSA-N 405.498 3.961 10 40 HHCB Cc1ccccc1-n1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c1C 44030680 RQVGJEDYNUZCGM-QHCPKHFHSA-N 405.454 3.645 10 40 HHCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc(F)cc1 15011538 ONKYOPVIWBGXNU-MHWRWJLKSA-N 403.456 3.885 10 40 HHCB CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)cc1 409102745 ZVFZGNXCECWYFH-QGOAFFKASA-N 423.513 3.820 10 40 HHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(F)c1 223616418 JTZJIMAODZPFGU-VXKWHMMOSA-N 424.545 3.983 10 40 HHCB COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 7496774 UDFNDZLJZLKOMT-XVNBXDOJSA-N 417.849 3.745 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c2ccccc12 4723772 LACOPTRJIKKMTL-WOJGMQOQSA-N 406.438 3.819 10 40 HHCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCOCC4)c(OC)c3)N21 260781634 UEKXNKADAFILLU-YHYVQYDKSA-N 424.570 3.906 10 40 HHCB COc1ccc2nc(/C=C3\SC(=S)N([C@H](C(=O)O)C(C)C)C3=O)ccc2c1 54360845 SXSLAJFRSAEVDU-TYWAAFNRSA-N 402.497 3.554 10 40 HHCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 100208153 ZWUUIAVHKDWOLU-ZHZULCJRSA-N 421.449 3.749 10 40 HHCB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)cc1 113936301 BTXIICURYIQSTR-UHFFFAOYSA-N 423.538 3.792 10 40 HHCB Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 102842603 AVHJWOCLRQOFNJ-CYYJNZCTSA-N 415.457 3.801 10 40 HHCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O 409246115 FDHWNGOKDFTRNS-XMHGGMMESA-N 421.522 3.517 10 40 HHCB COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(OC)c1 225838085 XOFZFOFBRLGGTC-OAHLLOKOSA-N 401.532 3.588 10 40 HHCB COc1cccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)c1OC 96193378 URRDQFLOOBLMKU-ZROIWOOFSA-N 400.818 3.862 10 40 HHCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 18150741 ZCLJENNIZRUPBQ-UHFFFAOYSA-N 423.538 3.826 10 40 HHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ncccc1C 100423625 SCDWYIRDQWLCRY-AQTBWJFISA-N 421.482 3.652 10 40 HHCB O=C(O)CN1C(=O)/C(=C\c2ccc(-c3nc4ccccc4s3)o2)SC1=S 2411938 CIXZVIJVZIFNNJ-NTUHNPAUSA-N 402.478 3.842 10 40 HHCB CCCCOc1ccc(N2CCn3c(nc4cc(NS(C)(=O)=O)ccc43)C2)cc1 13690337 HXPAUSINNVBQGZ-UHFFFAOYSA-N 414.531 3.607 10 40 HHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cccc(C)n1 100423387 PTCVEYKLGXMYCD-UYRXBGFRSA-N 421.482 3.652 10 40 HHCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(OC)c1 205729145 AHNMFJOYTMAKJM-LICLKQGHSA-N 406.504 3.529 10 40 HHCB COc1cc(/C=C2\SC(N3CCN(c4cccc(C)c4)CC3)=NC2=O)ccc1O 1858500 LEHSMOOMDHUJJP-ZHZULCJRSA-N 409.511 3.502 10 40 HHCB CN1C(=O)/C(=C/c2ccccc2OCCOCCOc2ccccc2)SC1=S 2961126 QCQVJRTUNMGSIP-CYVLTUHYSA-N 415.536 3.992 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Br)cc1F 10907768 GHYVHECYGRCPFR-UHFFFAOYSA-N 407.283 3.697 10 40 HHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C 222998081 HNWRXFISUXLTHO-SFTDATJTSA-N 407.543 3.503 10 40 HHCB CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3O)C(C(=O)OC)=C2C)cc1 408895023 SUKFMMDGJLJOGB-AQTBWJFISA-N 409.438 3.677 10 40 HHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OC(C)C 409013216 MIEFCTSRZPWDLH-WOJGMQOQSA-N 424.522 3.931 10 40 HHCB O=C(O)Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21 409133994 VFOWOUULNZLZEP-IUXPMGMMSA-N 409.492 3.522 10 40 HHCB Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)cc1 96006418 HWOSFDZRMGBETF-XMMPIXPASA-N 403.526 3.591 10 40 HHCB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](N/C=C1/C(=O)NC(=O)N(c3ccc(Cl)cc3)C1=O)C2 101247451 RWBUMSZPGMQAES-PLNVSRCNSA-N 401.894 3.611 10 40 HHCB CCOc1cc(N2CCOCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 260788331 YYCKGQBDOPMFST-URZJWIJPSA-N 424.570 3.906 10 40 HHCB CCN1C(=O)/C(=C/c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)SC1=S 3198582 GWTVCEIPKALUSH-LCYFTJDESA-N 403.441 3.661 10 40 HHCB Cc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(F)cc32)cc1C 48988582 DCSUHPDSRNKZRX-UHFFFAOYSA-N 400.475 3.832 10 40 HHCB Cn1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)c2ccccc21 13787455 YICHGBXZBQMSBW-YVLHZVERSA-N 411.483 3.864 10 40 HHCB CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)cc1 409195709 RUGLMCIOUCCMLZ-STZFKDTASA-N 421.497 3.897 10 40 HHCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc12 15013002 ZJXRYRZDZDDANS-PDGQHHTCSA-N 406.438 3.819 10 40 HHCB COc1ccc(NC(=O)Cn2c(CCC(=O)O)ccc2-c2ccc(OC)cc2)cc1 6811742 SKVRHPRBRWKVRU-UHFFFAOYSA-N 408.454 3.828 10 40 HHCB COc1cccc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c1O 27546772 XJBRAZHKECSBIV-JXPCMBGASA-N 412.858 3.722 10 40 HHCB COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2)cc1 41078452 IJJLNQJIMMWPBN-KAWQFOENSA-N 419.437 3.603 10 40 HHCB CC(C)OCCCNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1O 36217804 JUQDPHFHOOVAFJ-NRFANRHFSA-N 416.949 3.904 10 40 HHCB NC(=O)c1sc2nc3c(c(-c4ccc([N+](=O)[O-])cc4)c2c1N)C(=O)c1ccccc1-3 8856371 KDZNPDPGHNRHDP-UHFFFAOYSA-N 416.418 3.764 10 40 HHCB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)Nc1cccc2ccccc12 409357802 RJJWJTYSSHVMEQ-YBFXNURJSA-N 420.446 3.926 10 40 HHCB CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc1 35648446 HJLYFFKICRPBSM-CXUHLZMHSA-N 401.465 3.895 10 40 HHCB O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 12273975 PYTPEDDBMSKKJX-AWNIVKPZSA-N 424.843 3.794 10 40 HHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(C(=O)O)cc1 222742743 UJVADDUXFPNPMR-VQTJNVASSA-N 406.511 3.790 10 40 HHCB CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@@H](C)C2 225752631 CJMKMKWRGVGPJV-YEJOONJESA-N 417.527 3.900 10 40 HHCB CCc1ccc(NC2=NC(=O)/C(=C/c3cn(CC(N)=O)c4ccccc34)S2)cc1 6713537 AEISJSRVOMGQLB-ODLFYWEKSA-N 404.495 3.771 10 40 HHCB Cc1ccc(Oc2ccc(N/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)cc1 109348914 VUQSMUATTPZRQZ-MOSHPQCFSA-N 417.421 3.955 10 40 HHCB Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)Nc3c(F)cccc3F)sc2n1 12552916 YFTWFSZVRKZAQK-JTQLQIEISA-N 405.426 3.958 10 40 HHCB CCCCOC(=O)c1ccc(-n2c(C)cc([C@@H]3NC[C@H](C(=O)O)S3)c2C)cc1 408978084 KMTWRAGICSCSJW-RTBURBONSA-N 402.516 3.839 10 40 HHCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C/N[C@H]3C[C@H]4CC[C@]3(C)C4(C)C)C2=O)c(C)c1 35430866 ZIJZQFADSMDGSP-AOEZMABJSA-N 409.530 3.883 10 40 HHCB CCCN1C(=O)/C(=C\c2cccc(OC)c2OC)C(=O)N(c2ccccc2)C1=S 409017292 MESPZEFKBMHDSQ-SAPNQHFASA-N 410.495 3.658 10 40 HHCB O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1cccc(C(=O)O)c1 1841674 YJHXKBQPSIPYQO-PTNGSMBKSA-N 416.480 3.598 10 40 HHCB C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)C[C@H](C)O1 5234432 UIXNUDFWMNUMMU-ZASVFINYSA-N 413.455 3.934 10 40 HHCB COc1ccc(N2C(=O)c3ccccc3N(C)[C@H]2c2cc(O)c(O)c(OC)c2)cc1 12545546 QPZQKOMZHNTXPZ-JOCHJYFZSA-N 406.438 3.910 10 40 HHCB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 34881355 IVQRVOUEKJOALO-YDRQLGOLSA-N 400.862 3.987 10 40 HHCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccc(C)cc1 59139608 FHXVVWWFTRVPIC-UHFFFAOYSA-N 424.522 3.571 10 40 HHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccnc4)c3C)C2=O)c1C 408778989 OLJCZEQDXYFEIG-UDWIEESQSA-N 414.465 3.772 10 40 HHCB COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 409346130 NJNNUYSRTAVIOF-GZTJUZNOSA-N 414.508 3.544 10 40 HHCB O=c1ccc2ccc(O)c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@@H]43)c2o1 606440435 MJNBWCXFQYNSNU-OEEHMVQOSA-N 406.526 3.894 10 40 HHCB biogenic CCOc1cccc(N2C(=O)/C(=C\c3c(C)n(C)c4ccccc34)C(=O)NC2=S)c1 59678876 XSFSCQKEILSAEU-UYRXBGFRSA-N 419.506 3.717 10 40 HHCB Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1-c1ccc2c(c1)OCO2 3505582 DNGIUQWRYDPPGE-UHFFFAOYSA-N 406.467 3.841 10 40 HHCB CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Cl)c1O 409138023 YWFYJLHIRHUQSQ-GDNBJRDFSA-N 402.859 3.845 10 40 HHCB COc1ccc(N2CCN(C[C@H](O)CCO[C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)CC2)cc1 253531570 AJDHPXQJIJMMJH-RKQHTQASSA-N 416.606 3.800 10 40 HHCB O=C(NN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)c1ccc([N+](=O)[O-])cc1 3071313 BCOMEHOHSQBSNB-NTEUORMPSA-N 419.871 3.794 10 40 HHCB COc1ccc(-c2cnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2C)cc1 7423561 QPGPIRNUIFJJQU-UHFFFAOYSA-N 411.483 3.598 10 40 HHCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12527693 MLEXVWPOEHCPOZ-UHFFFAOYSA-N 418.541 3.851 10 40 HHCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 14406566 SSZGILAOFNPPAK-JXAWBTAJSA-N 423.465 3.980 10 40 HHCB COc1nc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc2ccccc12 65551681 PUTKVQZQDGHFET-HZPDHXFCSA-N 423.488 3.926 10 40 HHCB COc1ccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(C(=O)O)[nH]c2c1 256055507 JHAZDRWBELIGMW-NVNXTCNLSA-N 414.464 3.869 10 40 HHCB Cc1ccc2c(NC(=O)/C=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cccc2n1 59294510 YIJZBUGSEPMCSW-JXMROGBWSA-N 418.453 3.940 10 40 HHCB CC(=O)Nc1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 3250504 IFBMZOVYMQFMEH-UHFFFAOYSA-N 405.454 3.848 10 40 HHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OC(C)C 408813840 VHBDYXQQSILPCJ-WOJGMQOQSA-N 408.454 3.766 10 40 HHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCCC1 408537070 YZCFEAADHYICPE-LGMDPLHJSA-N 416.485 3.896 10 40 HHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OC 408804455 GGGIJFRMZUNDDT-YRNVUSSQSA-N 421.236 3.677 10 40 HHCB Cc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)C2=O)c1C 16350008 VIXVRUGOXFYVEY-FMNVXAMXSA-N 408.410 3.662 10 40 HHCB Cc1cc(C)cc(Oc2c(C)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)c1 19794049 BCQJKPIVIXFJTO-UHFFFAOYSA-N 408.498 3.964 10 40 HHCB C[C@@H](C(=O)Nc1cccc(C(=O)O)c1)N1C(=O)/C(=C/c2cccs2)SC1=S 10434579 QZAPNTGPYHULRL-ADVUTCEVSA-N 418.521 3.675 10 40 HHCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2F)C(=O)NC1=S 409239503 NVOMHELAPFHGLT-QGOAFFKASA-N 423.513 3.956 10 40 HHCB CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)cc1 409214109 VWIFTWDQLNFTDN-BAACNHRGSA-N 415.559 3.970 10 40 HHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C 223010565 IYXQAEFCGZHDAW-YADHBBJMSA-N 422.554 3.814 10 40 HHCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O 6043984 LGJUKVQMFWQCGT-SFQUDFHCSA-N 409.486 3.566 10 40 HHCB COc1ccc(Cn2nnnc2[C@H](c2ccc(N(C)C)cc2)N2CCC(C)CC2)cc1 4092858 BTPQTSPIWSLFSF-QHCPKHFHSA-N 420.561 3.617 10 40 HHCB O=C1c2ccccc2N[C@H](c2cc(Cl)cc([N+](=O)[O-])c2O)N1C[C@@H]1CCCO1 12555011 UXVDBZSCNQDGCJ-SGTLLEGYSA-N 403.822 3.699 10 40 HHCB Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1 408743223 VMGBPDKJRXIMBA-XNTDXEJSSA-N 415.312 3.897 10 40 HHCB CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)N(c4ccc(C)cc4)N=C3C)ccc21 408530094 IQZIQSMIPGNCCL-RGEXLXHISA-N 403.486 3.870 10 40 HHCB CCCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCC2 35898095 GRMRNUJFJXZTGH-KOZAUXTDSA-N 403.500 3.655 10 40 HHCB CC(=O)Oc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 409350425 RLNOVQBCPNNELO-SXGWCWSVSA-N 400.437 3.926 10 40 HHCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)nc1 223623484 NLPLDHDHCJFLIU-FCHUYYIVSA-N 421.570 3.547 10 40 HHCB COc1ccc(N2CCN(C(=O)c3snnc3-c3ccc(Cl)cc3)CC2)cc1 225771401 YVSUAFZCJYAYNX-UHFFFAOYSA-N 414.918 3.830 10 40 HHCB CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 849723 RZGAGTCXEJYEIS-FRKPEAEDSA-N 420.321 3.891 10 40 HHCB O=C(Cc1cccc2ccccc12)NN1C(=O)/C(=C\c2ccccn2)SC1=S 5523850 LFECEIDGIFYNIN-QGOAFFKASA-N 405.504 3.710 10 40 HHCB C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)C[C@H](C)O1 4844340 HXJAJCWVRXGKEG-ZASVFINYSA-N 413.455 3.934 10 40 HHCB O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c1 5371019 TWYPLUWOKWHHJZ-LHHJGKSTSA-N 403.412 3.628 10 40 HHCB Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1-c1ccc2c(c1)OCCO2 9468393 FZIWMIDGXNFOOJ-UHFFFAOYSA-N 420.494 3.883 10 40 HHCB Cc1cc(N2CCCCC2)ccc1CN1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 12222983 DQWSPYGWWGNGSE-UHFFFAOYSA-N 415.541 3.689 10 40 HHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3O)C2=O)cc1 409047391 MLGDTHSHRBYZST-RIYZIHGNSA-N 421.236 3.764 10 40 HHCB COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OC(C)=O 409344499 JOFMNNZJCQKUJR-YVLHZVERSA-N 402.497 3.576 10 40 HHCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)cc1 408960839 OPWBSYXFAYNHIT-LTGZKZEYSA-N 403.482 3.906 10 40 HHCB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 216945789 NZORMAFUJUJIBL-LJQANCHMSA-N 409.574 3.820 10 40 HHCB COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)O)cc3)SC2=S)cc1 210407501 MENFRZPHLVZDJZ-YBEGLDIGSA-N 401.465 3.564 10 40 HHCB CC(=O)Oc1ccc(Br)cc1C=C1C(=O)OC2(CCCCC2)OC1=O 58865763 BFBFOHHLPHRTCT-UHFFFAOYSA-N 409.232 3.518 10 40 HHCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC)C2=O)cc1 408899282 NYBJXXSOXPXLGJ-CYVLTUHYSA-N 408.454 3.931 10 40 HHCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CC[C@H](CC)C2 100507680 AVSFNVCPZFZDDL-HLNSEHPISA-N 417.527 3.901 10 40 HHCB COc1cccc(-n2c(C)cc(C(=O)Nc3ccc(N4CCOCC4)nc3)c2C)c1 32612270 YQRWSVQNEZDOPA-UHFFFAOYSA-N 406.486 3.587 10 40 HHCB O=C1/C(=C/c2cccc(O)c2)SC(=S)N1/C=C\c1nc2ccccc2nc1O 8665118 YHEDFHPMMARWFA-SZNFHZHLSA-N 407.476 3.913 10 40 HHCB COc1ccc(N2CCN([C@H](CNC(=O)c3cccs3)c3ccco3)CC2)cc1 56946152 FDHYBLPSSBIYKO-LJQANCHMSA-N 411.527 3.643 10 40 HHCB O=C1N=C(O)/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1c1cccc(Cl)c1 59859753 OEIYOYLPLBTQJY-LDADJPATSA-N 411.845 3.683 10 40 HHCB CCCN1C(=O)/C(=C/c2cc(Br)c(OCC)c(OCC)c2)NC1=S 3662941 KNXMSXKZFQUOKA-LCYFTJDESA-N 413.337 3.714 10 40 HHCB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 15360387 HGWHJNSUFUWZEQ-UHFFFAOYSA-N 404.532 3.515 10 40 HHCB Cc1cc(N)ccc1/N=N\c1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1 17324283 LKAKVHLFQWPGQR-VXPUYCOJSA-N 421.456 3.639 10 40 HHCB O=S(=O)(Nc1ncccn1)c1ccc(/N=N\c2ccc(O)c3ncccc23)cc1 104090618 HFVBFGGESMZQHZ-VHXPQNKSSA-N 406.427 3.947 10 40 HHCB CN1CCN(c2ccc(CNC(=O)CSCc3cccc(Cl)c3)cc2)CC1 216928977 ISSWQEICAKIGHV-UHFFFAOYSA-N 403.979 3.641 10 40 HHCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCCC1 408527298 DGTGXBURQBDSNS-SSZFMOIBSA-N 402.458 3.587 10 40 HHCB O=C1N/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 408961927 VPQICIKUAHCNBQ-ZHZULCJRSA-N 406.442 3.678 10 40 HHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(CC)c3ccccc23)C1=O 409230484 DTBBDEXAGHCJIM-GHRIWEEISA-N 403.438 3.726 10 40 HHCB C[C@H]1CCc2c(sc(NS(=O)(=O)c3ccc4ccccc4c3)c2C(N)=O)C1 12619071 IBDZITCYCZWUSI-LBPRGKRZSA-N 400.525 3.926 10 40 HHCB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@@H]2C1=O 13644073 VXCHZEGCOJVBAY-FKBYEOEOSA-N 400.434 3.752 10 40 HHCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 58866253 BLUKISFOLDKYQO-UHFFFAOYSA-N 423.377 3.568 10 40 HHCB CC(C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O 409237474 USVCODRRANEYAV-SDNWHVSQSA-N 400.887 3.959 10 40 HHCB CCCCN1CCc2cc(/C=C3\C(=O)N=C(O)N(c4ccc(F)cc4)C3=O)ccc21 5032918 NBYSTTFSKDWFCD-XMHGGMMESA-N 407.445 3.859 10 40 HHCB CCOc1ccc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 5967554 YPENKMQBEUKQAL-XNTDXEJSSA-N 404.538 3.987 10 40 HHCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2cccc(O)c2)C1=O 13305749 GWSKKPNVTXFJFH-BOPFTXTBSA-N 414.508 3.631 10 40 HHCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc(N)c([N+](=O)[O-])c1 13549104 JXEXFOISPQKGBW-ZROIWOOFSA-N 416.235 3.658 10 40 HHCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(O)cc3)C2=O)cc1 32708037 RGWWWCGKTDJYBL-GZTJUZNOSA-N 414.508 3.631 10 40 HHCB CCn1nc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)c1C 95436511 YZOSWWDAHBBVMF-UHFFFAOYSA-N 406.895 3.533 10 40 HHCB CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCC2 102345185 IPWOJINDHICCPA-APYUEPQZSA-N 403.500 3.654 10 40 HHCB CCOC(=O)c1c(C)n[nH]c1/N=N/[C@H]1C(=O)N(c2ccccc2)N=C1c1ccccc1 103668010 ZYLRHQICOVSFPF-AMSVNNNPSA-N 416.441 3.798 10 40 HHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(F)c1 223576371 XTHMPSXHKFQKMO-SFTDATJTSA-N 410.518 3.593 10 40 HHCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccccc1O 4745286 QDNPYSNZPOURNY-WJDWOHSUSA-N 402.472 3.761 10 40 HHCB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S 54361179 YJZNTHIWVCUTIH-LPPOOGIUSA-N 407.476 3.657 10 40 HHCB O=c1[nH]cccc1-c1c2oc3c(O)c(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCC1 85879943 XZMHJIZJEQHMIU-UHFFFAOYSA-N 418.409 3.506 10 40 HHCB biogenic Cc1cccc(Cn2cccc2/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c1 41085138 BGGLEZGIKMZFCU-JJEZRMFNSA-N 418.526 3.517 10 40 HHCB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)C(O)=NC2=S)cc1 1240977 WFHKXEQHWBWHMD-XMHGGMMESA-N 407.495 3.967 10 40 HHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=O)cc1 1202586 KCZLJRJKWZOCCG-LDADJPATSA-N 406.369 3.761 10 40 HHCB O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(O)cc1 2454621 IBQDTMGYSYZQPB-DHDCSXOGSA-N 404.900 3.886 10 40 HHCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)N=C(O)N(Cc4ccco4)C3=O)c2C)cc1 1843195 WRQBEFIJZLEUBS-UDWIEESQSA-N 419.437 3.562 10 40 HHCB O=C(COC(=O)c1ccc(F)cc1F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9283703 KUDKCLMVESHFLZ-UHFFFAOYSA-N 421.355 3.536 10 40 HHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1 9311368 XHGQBWBQRKAWAO-QPEQYQDCSA-N 421.236 3.764 10 40 HHCB COCCOc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(N(C)C)cc3)n2)cn1 35425402 PJKZLYRMEUKVLM-FQEVSTJZSA-N 423.517 3.560 10 40 HHCB biogenic,in-vitro CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 101150106 HGWNDGILZUPKSX-CXUHLZMHSA-N 401.766 3.875 10 40 HHCB CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 169690211 DGHHDANZEPTKRU-XPWALMASSA-N 413.477 3.804 10 40 HHCB CC1CCN(C(=O)Cn2cc(/C=C3\SC(=S)N(C)C3=O)c3ccccc32)CC1 409130015 MYRDAHYLFVPHSW-WQRHYEAKSA-N 413.568 3.731 10 40 HHCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(Br)o2)C1=O 409217194 TUDSUUUZLYZKQV-YRNVUSSQSA-N 409.623 3.670 10 40 HHCB CCN1C(=O)/C(=C/c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)SC1=S 2959888 RSGRMMDNTJGMDZ-ATVHPVEESA-N 419.549 3.984 10 40 HHCB CCCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 4124228 PLOPPQXIMUZDQH-KOZAUXTDSA-N 403.500 3.655 10 40 HHCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(N(CC)CC)cc3)S2)CC1 4663335 VDNFKYUCDGNRIC-CYVLTUHYSA-N 415.559 3.778 10 40 HHCB CC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccccc3O)=NN12 10213965 ZPRPAUOHKIPZGU-LJQANCHMSA-N 411.889 3.928 10 40 HHCB CN(C)c1ccc(CN2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 15675754 YYMUYDBRQXIDQQ-NRFANRHFSA-N 418.476 3.964 10 40 HHCB biogenic,in-vitro CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)cc1 409389413 AYMCEERXBSKVIJ-KGENOOAVSA-N 414.465 3.718 10 40 HHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Br)cc3)C2=O)cc1 8564345 BWUVMHUXOQGMPB-WJDWOHSUSA-N 415.243 3.514 10 40 HHCB CCN(CC)c1ccc(N/C=C2/C(=O)N=C(S)N(c3ccccc3F)C2=O)cc1 103224413 QFQGLXWXXXFPAQ-SSZFMOIBSA-N 412.490 3.827 10 40 HHCB Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 23292386 BFKGVQQUBHJZLJ-UHFFFAOYSA-N 408.527 3.655 10 40 HHCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc2nccnc2c1 9575809 OILMJQIWIIUCKW-DHDCSXOGSA-N 412.521 3.531 10 40 HHCB COc1ccc(N2CCN([C@H](CNC(=O)c3ccc(F)cc3)c3ccco3)CC2)cc1 56946134 GNLOVWKJCVKCDY-JOCHJYFZSA-N 423.488 3.721 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc1Cl 408771856 JQXDOMYWZUFFBO-XNTDXEJSSA-N 400.887 3.878 10 40 HHCB Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 71939583 LBRGJKYRPNPRBR-UHFFFAOYSA-N 409.461 3.680 10 40 HHCB CCOc1cc(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)ccc1OCC(=O)O 3004018 UYQASGKUISCHBL-WOJGMQOQSA-N 412.467 3.940 10 40 HHCB COc1cc(/C=C2\SC(Nc3cccc(C)c3)=NC2=O)ccc1O[C@H](C)C(=O)O 6044711 URGQTGNTKKSFDI-NCUBORBFSA-N 412.467 3.938 10 40 HHCB Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O 6236040 FIKNKXVNCJJTQJ-XMHGGMMESA-N 413.543 3.644 10 40 HHCB Cc1ccc(OCCOCCOc2ccccc2/C=C2\SC(=S)NC2=O)cc1 13892852 PZVXYWFFYNEMLN-RGEXLXHISA-N 415.536 3.958 10 40 HHCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\C=C\c2ccccc2[N+](=O)[O-])C1=O 409229395 OLXBNDRDDKYYIP-CUJDEGIUSA-N 411.801 3.779 10 40 HHCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1Cc1ccc(Cl)cc1 2218284 BFSUWRJHRNPRPM-UNOMPAQXSA-N 423.831 3.995 10 40 HHCB CCCCN1C(=O)[C@H]2ON(c3ccccc3C)[C@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 4166064 UUVFPIFGOGYEQR-VSKRKVRLSA-N 407.514 3.708 10 40 HHCB CCN(CC)c1ccc(/C=C(/C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)cc1 7488794 BODARHCUNWDNKY-LVZFUZTISA-N 404.514 3.809 10 40 HHCB COc1ccc(N2CCN(c3nc(C)c4c(n3)C[C@@H](c3ccco3)CC4=O)CC2)cc1 10156619 YSFIWCREYINPBW-QGZVFWFLSA-N 418.497 3.626 10 40 HHCB CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cc(O)ccc3O)=NN12 10214236 SAZOLDWCMNVBCN-LJQANCHMSA-N 423.469 3.590 10 40 HHCB COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(C)cc1 14903971 NFZBNYRZGNDDPZ-YVLHZVERSA-N 414.508 3.510 10 40 HHCB COc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)ccc1N1CCCC1=O 69897072 HGSYFXUQAZJWLG-UHFFFAOYSA-N 408.502 3.744 10 40 HHCB COc1ccc(-c2coc3c(CN4CCC[C@H](C(=O)O)C4)c(O)cc(C)c3c2=O)cc1 94993353 MSNHTKCSVDVKBB-INIZCTEOSA-N 423.465 3.779 10 40 HHCB C[C@H](NC1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCN(C)CC2)cc1 95454547 NVWBQYFPWINGRV-PELRDEGISA-N 401.595 3.990 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cc(C)ccn4)c3C)C2=O)cc1 408960158 CSGHMEPFDOZPLU-DEDYPNTBSA-N 414.465 3.772 10 40 HHCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3OC)C(C(=O)OC)=C2C)cc1 409018858 VYNDGWXSBJMISD-RGEXLXHISA-N 421.449 3.749 10 40 HHCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)C(=O)NC1=S 409391214 HZJMDVYIGGNWAR-XSFVSMFZSA-N 424.570 3.587 10 40 HHCB O=C(c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21)N1CCOCC1 1296396 BOXDQYQHYPJUCU-UEXGIBASSA-N 405.454 3.894 10 40 HHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\NN1C(=O)c2cccc3cccc(c23)C1=O 100525790 HFNYZYVPOXEIOV-MOSHPQCFSA-N 410.433 3.555 10 40 HHCB CN(CCO)c1ccc(CN2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)cc1 72347907 DHLJDVJEZWFKGA-UHFFFAOYSA-N 415.921 3.514 10 40 HHCB N=C1/C(=C/c2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)N=C2SC=CN12 4176758 FYPXORRNTPMQGG-KCBCAQTCSA-N 405.435 3.771 10 40 HHCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cncc(Br)c2)cc1 12552407 HLQVXKAKAZYEEG-LJQANCHMSA-N 418.335 3.732 10 40 HHCB COc1ccc(N2CCN(c3ncc(-c4ccncc4)c([C@@H]4CCCO4)n3)CC2)cc1 19556607 XYXAKOPPGRXMNT-QFIPXVFZSA-N 417.513 3.725 10 40 HHCB CN1CCN(C2=NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)S2)CC1 19913478 ZWXRUPWUOLVOLL-JCMHNJIXSA-N 416.550 3.907 10 40 HHCB Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1C(C)(C)C 409211378 NOUCUKUUWQZSMA-WOJGMQOQSA-N 412.465 3.530 10 40 HHCB COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc([N+](=O)[O-])c1O 409341298 BAHYBQNMIQVFKU-ZSOIEALJSA-N 406.416 3.854 10 40 HHCB O=C(NN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)c1ccccc1[N+](=O)[O-] 975289 CHFKDGUIQXZZCU-ZROIWOOFSA-N 419.871 3.794 10 40 HHCB COc1ccc(N2CCN(Cn3nc4c(Cl)cc(Cl)cn4c3=S)CC2)cc1 58444912 PAWJYOXPXFZJDE-UHFFFAOYSA-N 424.357 3.960 10 40 HHCB Cc1occc1C(=O)NN1C(=O)/C(=C/c2ccc3c(c2)CCCN3C)SC1=S 13730086 ZRCDVMAHXGHFSE-BOPFTXTBSA-N 413.524 3.517 10 40 HHCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OC 14011112 QYUDBINKJVWMOI-NVNXTCNLSA-N 414.845 3.640 10 40 HHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccc(OC)c2OC(C)C)C1=O 409238503 ANDCMPNXQHPZOA-DTQAZKPQSA-N 424.453 3.548 10 40 HHCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCC3)cc2)C1=O 409212621 RMHFFMHNNZWWCT-LDADJPATSA-N 409.873 3.915 10 40 HHCB O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccccc1C(=O)O 1840363 VNMYZUCXXKBSJZ-PTNGSMBKSA-N 416.480 3.598 10 40 HHCB Cc1cc(Cl)cc(CN(C)CCc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1O 104061061 JCTUCALMLNIKSU-UHFFFAOYSA-N 424.797 3.753 10 40 HHCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)c1 409373906 WTFPTAWYYHQHNO-FYJGNVAPSA-N 416.433 3.829 10 40 HHCB COc1cc([C@H](Nc2ccccn2)c2cc3c(cc2O)OCO3)cc(OC)c1OC 3053284 LAMGRAMZRMRRMH-NRFANRHFSA-N 410.426 3.743 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]nc1-c1ccc(Cl)cc1 10308329 AXZZGMPKNXAYEA-UHFFFAOYSA-N 410.905 3.839 10 40 HHCB COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1 5234200 MVDHNWMWXDFMQI-FOWTUZBSSA-N 402.497 3.908 10 40 HHCB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccc(N(C)C)cc2)c1 224076335 FIODMYWDZYFURH-UHFFFAOYSA-N 423.538 3.792 10 40 HHCB COc1ccc([C@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCS3)cc1OC 2966028 JWNSIYQELRYPCB-HXUWFJFHSA-N 405.927 3.528 10 40 HHCB CCN1C(=O)/C(=C\c2ccc(OC)cc2)C(=O)N(c2ccc(Cl)cc2)C1=S 4739143 ISLWQMHMLFKAPZ-SFQUDFHCSA-N 400.887 3.912 10 40 HHCB COc1ccc(N2C(=O)/C(=C\c3ccc(O)c(OC)c3)SC2=S)c(OC)c1 35040775 QMXNDMQYDPCIJA-RQZCQDPDSA-N 403.481 3.824 10 40 HHCB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 139003523 XJEADGDKBZYVSB-UHFFFAOYSA-N 423.425 3.806 10 40 HHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1 223033549 XVSXWYYOBXQFDA-FGZHOGPDSA-N 422.554 3.808 10 40 HHCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(Sc2ccccc2)cc1 409396176 WWNFNMOOQQVBNY-XMHGGMMESA-N 401.447 3.899 10 40 HHCB COc1cccc(/C=C2/SC(N3CCOCC3)=NC2=O)c1OCc1ccccc1 1415648 GKLXCAIIJRRNJM-XMHGGMMESA-N 410.495 3.577 10 40 HHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC 408771559 JERKACXTBAEJJC-LDADJPATSA-N 408.454 3.767 10 40 HHCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c1OC(C)C 409232848 BVGCPPVXMNAIFD-SFQUDFHCSA-N 424.522 3.931 10 40 HHCB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cc(C)on3)C2=O)cc1 17373764 SDWATGBHCJQCBQ-RVDMUPIBSA-N 401.513 3.912 10 40 HHCB NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 4982757 YNCXHXYZTLIZTO-HDMKZQKVSA-N 405.317 3.923 10 40 HHCB COC(=O)/C=C\N(Cc1ccccc1)/N=N\N(/C=C/C(=O)OC)Cc1ccccc1 104227631 WGWHBDYUEFOOAF-IRMNSMPRSA-N 408.458 3.646 10 40 HHCB COc1ccc(N2CCN(C(=O)CCN3CCC(c4ccccc4)CC3)CC2)cc1 40062900 CBFUWWBPSWQORS-UHFFFAOYSA-N 407.558 3.614 10 40 HHCB CN1C(=O)/C(=C/c2ccc(C(=O)Nc3ccc4oc(=O)ccc4c3)cc2)SC1=S 9430181 XKVJWJFMEZKGRY-YVLHZVERSA-N 422.487 3.876 10 40 HHCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(F)c(N3CCCC3)cc2C)C1=O 108899719 ORSWGLUQTJTSHB-HNEYUBDGSA-N 406.479 3.722 10 40 HHCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)c(OC)c3)N21 222691542 UEKXNKADAFILLU-VOQZNFBZSA-N 424.570 3.906 10 40 HHCB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N2C(=O)CSC2=N1 5482500 VWNFXPLHGSDMHY-HXUWFJFHSA-N 406.511 3.651 10 40 HHCB Cc1nnc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)s1 12032433 JHFBEAYVVZBCBZ-XYOKQWHBSA-N 424.960 3.730 10 40 HHCB COC(=O)c1ccc(/C=C2\SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)cc1 5371726 KNKNNWFMVYJCBC-SXGWCWSVSA-N 413.476 3.886 10 40 HHCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S 9422224 BVFHCGTZCCBDAA-QTNMRXCUSA-N 404.538 3.642 10 40 HHCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1 13940132 KRPXZCQUJFZWJG-WJDWOHSUSA-N 405.522 3.594 10 40 HHCB O=C1NC(=S)N=C(O)/C1=C\c1cn(CCOc2ccccc2F)c2ccccc12 18169547 JBTMKQFPPGLPON-UHFFFAOYSA-N 409.442 3.614 10 40 HHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(F)cc1 223616572 WAWXVFKGGSGREK-FCHUYYIVSA-N 424.545 3.983 10 40 HHCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1Cl 59139665 OEIVLADTQDQXNA-UHFFFAOYSA-N 422.337 4.000 10 40 HHCB CCN(CC)c1ccc(/C=c2\sc3nc(/C=C/c4cccs4)nn3c2=O)cc1 27022036 YGFSWKOFIXLTBF-RWVXMSMHSA-N 408.552 3.777 10 40 HHCB Cc1cccc(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1C 5711233 VRAKKOVOEZOSBS-UHFFFAOYSA-N 413.429 3.874 10 40 HHCB aggregator COc1ccc(N2CCN(C[C@@H](O)CO[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)CC2)cc1 20109685 YXWLUFJYUXOUAJ-IVGWJTKZSA-N 404.595 3.656 10 40 HHCB O=C1N=C(O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccco1 1777796 QIPQFSMDNVHAIB-MHWRWJLKSA-N 407.338 3.950 10 40 HHCB COc1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 4746275 AQCMHFRDUNFXMY-RVDMUPIBSA-N 404.538 3.987 10 40 HHCB CCc1ccc(/C=C2\SC(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)=NC2=O)cc1 9293241 DTGYDOZUVZVMJX-HKWRFOASSA-N 422.510 3.950 10 40 HHCB COc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)c(OC)c1OC 16995367 VODPYTCDFUNOLL-ZROIWOOFSA-N 416.817 3.873 10 40 HHCB O=C1/C(=C/c2cccc(O)c2)C(O)=NC(=S)N1c1ccc(Br)cc1 59198495 YAYXEPQJWYIQFC-NTEUORMPSA-N 403.257 3.826 10 40 HHCB COc1ccc(C(=O)O)c(OCC(=O)N(Cc2ccccc2)Cc2ccccc2O)c1 257291445 QGZPISUFFLGNSZ-UHFFFAOYSA-N 421.449 3.707 10 40 HHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1Cl 408815583 XFNJZJSZFULFNS-LFIBNONCSA-N 414.845 3.804 10 40 HHCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Br)s3)C2=O)cc1 408986968 NXSRILWUVHQXCI-LCYFTJDESA-N 405.273 3.739 10 40 HHCB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O 409137250 WDMQWBLSBSETKF-XNTDXEJSSA-N 400.887 3.797 10 40 HHCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OC(C)C)c(OC)c3)C2=O)cc1 2755686 DINGVMOGYNIKBT-GZTJUZNOSA-N 410.426 3.998 10 40 HHCB C/C=C/c1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc(OC)c1OC 12631999 FMILFYRWNBCLPU-AATRIKPKSA-N 410.514 3.846 10 40 HHCB CCCC[C@H](CC)COCCCN/C=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 19707323 JZTFAHZEIWARHU-SWVCQTRFSA-N 415.534 3.674 10 40 HHCB CN1CCN([C@@H](CNC(=O)c2ccc3ccccc3c2)c2ccc(N(C)C)cc2)CC1 22589351 OQSNVTNKJIGDTJ-VWLOTQADSA-N 416.569 3.624 10 40 HHCB O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)cc2o1 223331599 SXVRFJDQTDEDSG-UHFFFAOYSA-N 407.860 3.699 10 40 HHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(F)c1 223576276 XTHMPSXHKFQKMO-RTWAWAEBSA-N 410.518 3.593 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(OC(C)C)c1 408803668 RUCXQXMATQTBGT-XNTDXEJSSA-N 414.845 3.802 10 40 HHCB COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)cc1OC 12296804 NHDFXFXYSOHDOB-MRXNPFEDSA-N 420.465 3.752 10 40 HHCB biogenic Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(N)[nH]3)c2C)ccc1Br 9469473 PRYSQABXMMHPON-UHFFFAOYSA-N 420.336 3.840 10 40 HHCB O=C(O)c1cc(NS(=O)(=O)c2ccc(Br)c3ccccc23)ccc1O 11635080 XYULMHHLXVBQMA-UHFFFAOYSA-N 422.256 3.807 10 40 HHCB Cc1cccc(N2CCN(CN3C(=O)/C(=C\c4ccc(C)o4)SC3=S)CC2)c1 20101717 TUGXCLNXYWIKJF-CPNJWEJPSA-N 413.568 3.877 10 40 HHCB O=C(NCc1cc([N+](=O)[O-])ccc1O)c1cc(-c2ccco2)nn1-c1ccccc1 32865803 QRCLJBWEPMXZKI-UHFFFAOYSA-N 404.382 3.676 10 40 HHCB COCCCN1C(=O)/C(=C2/C(=O)N(CCC(C)C)c3ccccc32)SC1=S 1841095 QGOFJRUJMUPGEF-MSUUIHNZSA-N 404.557 3.687 10 40 HHCB Cc1ccsc1C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 5974059 PDKIYAQQNILQAS-UHFFFAOYSA-N 405.431 3.627 10 40 HHCB O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NCc1ccco1 27023407 JXWVYJATTSMAGR-GDNBJRDFSA-N 406.916 3.841 10 40 HHCB COc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)cc1 49003904 POKBSZUQLIVZRI-UHFFFAOYSA-N 416.474 3.614 10 40 HHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(F)cc1 223576513 UNNGWJHUOLWCNV-LEWJYISDSA-N 410.518 3.593 10 40 HHCB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)cc1 13899321 JRDCAODQOQKVNW-WJDWOHSUSA-N 405.522 3.594 10 40 HHCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 100062297 GQCUEANXEKPQGU-VEGAHXMMSA-N 424.438 3.667 10 40 HHCB in-vitro CCOc1ccc(N2C(=O)/C(=C3/C(=O)N(C(C)=O)c4ccccc43)SC2=S)cc1 1908092 FYVTYMUFEXXFLI-ZCXUNETKSA-N 424.503 3.754 10 40 HHCB NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 4982759 YNCXHXYZTLIZTO-DAYGRLMNSA-N 405.317 3.923 10 40 HHCB O=c1cc(CSc2ncnc3c2cnn3-c2ccccc2)c2cc(O)c(O)cc2o1 9981860 ZFPTYUUCFACWHU-UHFFFAOYSA-N 418.434 3.625 10 40 HHCB Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@H]2C1=O 102703710 VXCHZEGCOJVBAY-YPAWHYETSA-N 400.434 3.752 10 40 HHCB O=C1S/C(=C/c2ccc(O)c(O)c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 215269048 ZHZZEXUDKHJPPH-AYSLTRBKSA-N 405.815 3.716 10 40 HHCB Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 223623017 MOOYYNJBXNAMGA-YADHBBJMSA-N 421.570 3.547 10 40 HHCB N=C1/C(=C\c2ccc(O)cc2)C(=O)N=C2SC(SCCOc3ccccc3)=NN12 12463331 DJPWWHHHFIACMN-PZNVHLGOSA-N 424.507 3.781 10 40 HHCB COc1cccc(N2C(=O)/C(=C\c3cc4ccc(OC)cc4[nH]c3=O)SC2=S)c1 13735645 QWMKJPBMHGELPD-GIJQJNRQSA-N 424.503 3.951 10 40 HHCB CSc1cccc(-n2c(C)cc(C(=O)CN3CCN(c4ncccn4)CC3)c2C)c1 34872525 DXBYEUWANDAVQV-UHFFFAOYSA-N 421.570 3.611 10 40 HHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1F 223616115 GJRLBQQDPHDFAL-YADHBBJMSA-N 424.545 3.983 10 40 HHCB COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C 225838594 UZHOCYQQQJCCSH-INIZCTEOSA-N 413.543 3.666 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OC 408784691 WJXGXWNHKNRQAM-OQLLNIDSSA-N 414.845 3.722 10 40 HHCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1 408898798 MSDMERYYDQRTIJ-AQTBWJFISA-N 424.453 3.549 10 40 HHCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(=O)c3cc(F)ccc3o2)cc1 27989333 DVGLVYZTTGBUPQ-LJQANCHMSA-N 424.472 3.820 10 40 HHCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(OC)cc3)C2=O)cc1 408952210 LKLPTRVDJVKQIJ-RCCKNPSSSA-N 415.449 3.715 10 40 HHCB COc1cc(/C=C2/SC(=S)N(CNc3cccc([N+](=O)[O-])c3)C2=O)ccc1O 3843278 AKDPSMDJZZVDMV-LZYBPNLTSA-N 417.468 3.580 10 40 HHCB COc1cc(C)ccc1OCCOc1cccc(/C=C2\SC(=S)NC2=O)c1 4679699 WUYUQJBEVYFTFW-PDGQHHTCSA-N 401.509 3.950 10 40 HHCB O=C1/C(=C\c2cccc(F)c2)SC(=S)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8870244 GXLUYJQQGVOHGY-VGOFMYFVSA-N 420.403 3.870 10 40 HHCB COc1cc(/C=C2/SC(N3CCN(c4cccc(C)c4)CC3)=NC2=O)ccc1O 15401564 LEHSMOOMDHUJJP-XSFVSMFZSA-N 409.511 3.502 10 40 HHCB CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)ccc1O 96193334 VELCUMNHZMNNAJ-ZSOIEALJSA-N 400.818 3.949 10 40 HHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C 222998257 HNWRXFISUXLTHO-NHCUHLMSSA-N 407.543 3.503 10 40 HHCB COc1ccc(N2CCN(C(=O)C3CCN(Cc4cccc(C)c4)CC3)CC2)cc1 9063024 VZOIZQXCNRXGST-UHFFFAOYSA-N 407.558 3.564 10 40 HHCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4C)cc3)C(=N)N2O1 41078462 ICJJMSUBUBQPCO-KDFQCDEHSA-N 403.438 3.903 10 40 HHCB CC(C)N1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 100626336 JRJLYCYGHKJFHH-AABGKKOBSA-N 413.905 3.661 10 40 HHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)o1 408810876 LLAISCLENCTRDO-RVDMUPIBSA-N 403.891 3.611 10 40 HHCB COC(=O)Cc1c(C)c2ccc(O)c(CN3C[C@]4(C)C[C@H]3CC(C)(C)C4)c2oc1=O 85877165 FMZMZERQRMDNSC-OYLFLEFRSA-N 413.514 3.923 10 40 HHCB CC(C)COC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 409002380 NMAZAIKXWGEEQM-RRRUWBTGSA-N 411.462 3.667 10 40 HHCB Cc1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/c4ccccc4)SC3=S)C2=O)cc1 1447171 XGHFXIHGGRNLHX-FEEIMYBTSA-N 408.504 3.528 10 40 HHCB COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(C(=O)OC)=C1C 3652057 BGTXWALRUTYDSH-MOSHPQCFSA-N 412.461 3.552 10 40 HHCB COC(=O)c1ccc(NC2(c3ccc(OC)cc3)C(=O)c3ccccc3C2=O)cc1 6902063 ARLIBFCFJQTXMV-UHFFFAOYSA-N 401.418 3.868 10 40 HHCB CCOc1cc(/C=C2\SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)ccc1O 13122610 FESYXZABNCGZDN-NIFLVVHWSA-N 415.492 3.818 10 40 HHCB CC(=C\c1ccco1)/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 408902252 GKHREBAIVHHOKZ-VMPIADEKSA-N 401.216 3.655 10 40 HHCB O=S(=O)(c1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)cc1)N1CCOCC1 5017634 MUYWCFYXDHYKRC-IPJJNNNSSA-N 414.502 3.673 10 40 HHCB CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)C2=O)cc1 8770388 UNLLRSTZQFSXME-CYUIRQCWSA-N 408.410 3.608 10 40 HHCB COc1ccc(N2CCN(CC(=O)N[C@@H](C)c3ccc4ccccc4c3)CC2)cc1 68678538 YOCVQDXJNDKUNX-IBGZPJMESA-N 403.526 3.848 10 40 HHCB COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1C(C)C 408955237 UAYPWBYAYAYWJI-RQZCQDPDSA-N 422.437 3.522 10 40 HHCB CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(C)C2=O)cc1Cl 409340582 ZQJPQMDCWHBAFT-IZZDOVSWSA-N 406.312 3.766 10 40 HHCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)cc1C 15013666 FVOYGOQGNZKTIN-CIAFOILYSA-N 417.465 3.966 10 40 HHCB COc1ccc(N2CCN(C(=O)c3ccc(CN4CCC[C@H](C)C4)cc3)CC2)cc1 20107083 TWIZBGMFHOEBMJ-FQEVSTJZSA-N 407.558 3.890 10 40 HHCB CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 32722610 NBAGXJZWVOZRJT-OAQYLSRUSA-N 421.566 3.814 10 40 HHCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(C)c3ccccc23)C(=O)NC1=S 409096410 DEYAGDWFPMKPGR-XNTDXEJSSA-N 409.898 3.971 10 40 HHCB Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c1 409239289 PEIMSULDCASWKY-XMHGGMMESA-N 401.491 3.925 10 40 HHCB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(N(C)C)cc2)N3)C1 4091108 DRRXFPVBQHSEKC-QGZVFWFLSA-N 400.504 3.758 10 40 HHCB Cc1c(Cl)cccc1-n1c(C)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1C 5570596 GGFDKPGDUYIFAQ-UHFFFAOYSA-N 401.919 3.655 10 40 HHCB COc1ccc(/C=C2\SC(=S)NC2=O)cc1OCc1ccc([N+](=O)[O-])cc1 12371393 DBLKPPFNVIBTQA-SXGWCWSVSA-N 402.453 3.671 10 40 HHCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1C 15013418 FCLIIVIIRRMRCR-UVTDQMKNSA-N 400.887 3.797 10 40 HHCB Cc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)o1 96114144 XSTKBIUPMZNKJC-LBPRGKRZSA-N 420.373 3.919 10 40 HHCB biogenic Cc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1C 408552809 VPMHDYVWQLYCNW-ZROIWOOFSA-N 403.866 3.840 10 40 HHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccccc1 408776205 VHARBKHJQYMZKL-QGOAFFKASA-N 403.413 3.900 10 40 HHCB O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ccccc1N1CCOCC1 6909222 NHAZYTMPHHWYER-UHFFFAOYSA-N 402.907 3.784 10 40 HHCB CN(C)c1ccc(/C=C/C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 40134438 DYFLHDKCHCQEMZ-BJMVGYQFSA-N 418.463 3.965 10 40 HHCB Nc1ccc(S(=O)(=O)Nc2nccs2)cc1/N=N\c1ccccc1[N+](=O)[O-] 84460235 JJVRPICUGFLOHL-HNENSFHCSA-N 404.433 3.850 10 40 HHCB O=C1/C(=C/NCC2CCNCC2)C(c2ccccc2)=NN1c1nc2ccccc2s1 100437499 DZVCUEMNAIRPIP-OBGWFSINSA-N 417.538 3.520 10 40 HHCB O=C1NC(=O)c2cc(S(=O)(=O)Nc3ccc(/N=N/c4ccccc4)cc3)ccc21 111213489 GAVSUJXNQSOFJT-GHVJWSGMSA-N 406.423 3.786 10 40 HHCB Cc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] 260572654 NGWRZQKKSBEJGP-HNNXBMFYSA-N 403.504 3.618 10 40 HHCB COc1ccc(N2CCN(C(=O)CCN[C@@H](c3cccs3)C(C)C)CC2)cc1 32776754 QYFVXFCWVFJKCH-JOCHJYFZSA-N 401.576 3.782 10 40 HHCB CC[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC 33914319 WGPXLMVFQWAAHT-MFVBVHDHSA-N 400.862 3.987 10 40 HHCB COc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)cc(Cl)c1O 38173630 PZQVPAFQTJPUDU-SDQBBNPISA-N 406.822 3.865 10 40 HHCB CCCCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)OC)C3=O)c2C)cc1 408548965 OJRLNFPIFFJACE-DEDYPNTBSA-N 409.486 3.502 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OC 408817158 ZUDKUGNRDMEHEV-OQLLNIDSSA-N 414.845 3.722 10 40 HHCB O=C1Nc2ccccc2/C1=C1/SC(=S)N(Nc2nc3ccccc3s2)C1=O 32594638 ODCZBDLKDQKOPQ-YPKPFQOOSA-N 410.505 3.847 10 40 HHCB COc1ccc2cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)[nH]c2c1 58419131 BLIKYILLDULHBF-GASCZTMLSA-N 411.477 3.859 10 40 HHCB Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC(NC(=O)c3cc(C)on3)CC2)c1 65522532 SYUBNMNRLXTVAO-UHFFFAOYSA-N 420.513 3.734 10 40 HHCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(C(C)(C)C)c3C)C2=O)cc1 409021770 XXHMOCLCEZQBDK-XDHOZWIPSA-N 408.502 3.700 10 40 HHCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(O)c([N+](=O)[O-])c1 16156262 CCRFNIDXSMFTTO-ZSOIEALJSA-N 402.204 3.869 10 40 HHCB COc1ccc(NC2(NC(=O)c3cccc(C)c3)C(=O)c3ccccc3C2=O)cc1 226297836 OTGOMCNIUUGBPG-UHFFFAOYSA-N 400.434 3.621 10 40 HHCB Cc1c(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)c(=O)n(-c2ccccc2)n1C 1090123 QBNMIZBNMXRXCU-ATVHPVEESA-N 423.519 3.596 10 40 HHCB CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C/c1ccc(N2CCOCC2)cc1 4817401 BTAYNEZCOXSBII-CVJKAFSHSA-N 403.526 3.550 10 40 HHCB CN1C(=O)C(=Cc2ccccc2OCc2ccccc2Cl)C(=O)N(C)C1=S 4513321 XQBZVFZODSHXEW-UHFFFAOYSA-N 400.887 3.518 10 40 HHCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 8166146 NJFOCADQXPFMEG-NRFANRHFSA-N 417.868 3.790 10 40 HHCB Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3ccc(N(C)C)cc3)S2)CC1 12378260 NVJUCETYJREHJB-LTGZKZEYSA-N 406.555 3.854 10 40 HHCB CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccccc4F)o3)C2=O)cc1 16687835 HDQIAXQBBFYLRE-QGOAFFKASA-N 420.396 3.724 10 40 HHCB COc1ccc(N2CCN(C[C@H](O)COC3CCC(C(C)(C)C)CC3)CC2)cc1 23224606 RRGUEBZWXJAPMN-SWCONJRYSA-N 404.595 3.800 10 40 HHCB CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCOCC1 222608628 MCGRRMQFZFSDBN-USCONSEESA-N 424.570 3.906 10 40 HHCB CN(C)c1ccc(CNC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1 224500406 KPDXGCKPTVNPPH-UHFFFAOYSA-N 423.538 3.508 10 40 HHCB O=C(COc1ccc(/C=C2\SC(=S)NC2=O)cc1)Nc1cccc(Cl)c1 39793931 DXIDFLUVUCONHR-NVNXTCNLSA-N 404.900 3.846 10 40 HHCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1ccc2c(c1)OCO2 103918129 BQODRRXIXLUTKU-STZFKDTASA-N 422.441 3.890 10 40 HHCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OC)c(OC)c3)C2=O)cc1 408983454 MFKBHCUYEUVIDE-DHDCSXOGSA-N 414.845 3.586 10 40 HHCB COc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(N(C)C)cc4)S3)CC2)cc1 1443331 NZDWGKYQRNPJEQ-LTGZKZEYSA-N 422.554 3.554 10 40 HHCB CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 5373872 JOEKMCMKTOQUPK-RDTPKYPVSA-N 404.307 3.743 10 40 HHCB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccc(N2CCCCCC2)cc1 12564963 REXIMCUCKCNBOV-RBNVVWFDSA-N 403.526 3.519 10 40 HHCB CCN(CC)c1ccc(CN(C(=O)c2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 28228260 UKDMXDTVBNLLGC-NRFANRHFSA-N 418.534 3.501 10 40 HHCB C[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)/C(=C\c2cccs2)SC1=S 28296863 YJGBYGGSHMXIAM-GMROUXNLSA-N 418.521 3.675 10 40 HHCB COc1ccc(CC2=NN3C(=N)/C(=C/c4ccc(F)cc4)C(=O)N=C3S2)cc1OC 41083635 ISKYKXCVZHZLID-POCCGPMPSA-N 424.457 3.705 10 40 HHCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)S1 408754217 JEPYIRBXXXCHJI-SXGWCWSVSA-N 400.843 3.666 10 40 HHCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1Cc1ccccc1Cl 408870882 XVSPEBRJPJSHSK-UHFFFAOYSA-N 421.305 3.507 10 40 HHCB O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 1313714 AQEYNNYHFDMWDD-MHWRWJLKSA-N 419.846 3.811 10 40 HHCB CCCCOC(=O)CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 5370720 OZYOBGXBJGMEJO-WJDWOHSUSA-N 407.513 3.740 10 40 HHCB CN1CCCc2cc([C@H](CNC(=O)c3ccc4c(c3)OCO4)N3CCCCC3)ccc21 9137917 GWFGAOPICZRUJZ-QFIPXVFZSA-N 421.541 3.755 10 40 HHCB Cc1cc(N2CCCC2)ccc1CN1CCc2c(O)nc(N3CCC(C)CC3)nc2C1 72347356 IFZMQNCADVNEDH-UHFFFAOYSA-N 421.589 3.885 10 40 HHCB O=C(O)CN1C(=O)/C(=C\c2cccn2-c2ccc(Br)cc2)SC1=S 96462665 JZKDWZXUMZSSBS-MDWZMJQESA-N 423.313 3.526 10 40 HHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(C(=O)O)cc1 222742796 UJVADDUXFPNPMR-PMACEKPBSA-N 406.511 3.790 10 40 HHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1O 223617942 PFCOBVJFZIJLIZ-YADHBBJMSA-N 422.554 3.550 10 40 HHCB CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CC)C1=O 2422072 BZUSRVYXOMLJDB-SQFISAMPSA-N 416.572 3.542 10 40 HHCB Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(-c4ccccc4)ccc3O)CC2)cc1 20072834 RDRISGPNFWZABN-UHFFFAOYSA-N 422.550 3.874 10 40 HHCB CCCc1nc(S/C(=C\c2ccc(N(C)C)c(Br)c2)C(=O)O)n[nH]1 213377906 QSWWMHDDWHMPDG-LCYFTJDESA-N 411.325 3.804 10 40 HHCB CCc1nnc(NC(=O)CN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)s1 8432969 YFOONXZDOABPCZ-YRNVUSSQSA-N 424.960 3.594 10 40 HHCB O=C1/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC(=S)N1c1ccccc1 51330795 XZZIXFGNOFHJCH-ZDLGFXPLSA-N 422.487 3.705 10 40 HHCB COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c([N+](=O)[O-])c1 107868928 UEPSWSJGTVBXLV-UHFFFAOYSA-N 410.257 3.873 10 40 HHCB COc1cc(N2CCOCC2)ccc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222608062 UQMGUZKDCXJUIC-RVHYNSKXSA-N 410.543 3.516 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Cl 408806694 BFQBCOZZIRDJLK-NTUHNPAUSA-N 405.237 3.977 10 40 HHCB CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)NC3CC3)c3ccccc23)SC1=S 409129843 HKOWPGYGSQXPRH-NVMNQCDNSA-N 413.568 3.777 10 40 HHCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3c[nH]nc3-c3ccc(F)cc3)C2=O)cc1 1423930 HLQMVJZFFDBGLY-LICLKQGHSA-N 406.373 3.731 10 40 HHCB Cc1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1-c1ccc2c(c1)CCC2 7148993 TZXXDDFBTRHQQF-UHFFFAOYSA-N 405.498 3.630 10 40 HHCB Cc1ccc2c(c1)C(=O)N(CCC(=O)N(C)Cc1ccc(N3CCCCC3)cc1)C2=O 10962675 WWQYTNSOWJTBKU-UHFFFAOYSA-N 419.525 3.630 10 40 HHCB COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C 14009501 QIRFVSDSXQFPEO-SXGWCWSVSA-N 400.862 3.716 10 40 HHCB Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1-c1ccc2c(c1)OCO2 2637279 XAAKUFIECSUNDB-UHFFFAOYSA-N 420.252 3.569 10 40 HHCB CCc1cc2c(NCCCN3CCN(c4ccc(OC)cc4)CC3)ncnc2s1 24059495 FMMFOBOVUBCHIB-UHFFFAOYSA-N 411.575 3.887 10 40 HHCB CC(C)N1C(=O)/C(=C/c2cc(I)ccc2O)SC1=S 36613151 BFINLLRJYAKNAJ-WDZFZDKYSA-N 405.282 3.606 10 40 HHCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(C)cc1C 112127292 FHXOZMHFFYIWBT-JWGURIENSA-N 407.470 3.964 10 40 HHCB Cn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)c3ccccc3)ccc21 225682785 KNIYQBGMNVVWII-UHFFFAOYSA-N 424.503 3.632 10 40 HHCB CCCCOC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 408526801 CLMWUCZFBUSTSX-NBVRZTHBSA-N 421.453 3.531 10 40 HHCB CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1 409247606 IPFYLGVLGOBUEU-RGEXLXHISA-N 407.539 3.981 10 40 HHCB O[C@@]1(c2ccc(F)cc2)CN(c2ccc(Br)cc2)C2=[N+]1CCCS2 4086719 PXUJDYLCFAHFEV-GOSISDBHSA-N 408.316 3.759 10 40 HHCB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)c2C)c(OC)c1 41108125 QMHBSUUFHHGFOQ-KCBCAQTCSA-N 423.498 3.750 10 40 HHCB COc1ccccc1C1=NO[C@@](C)(C(=O)NCc2ccc(N3CCCCC3)cc2)C1 141569326 YYCOOZCGNRMCSZ-XMMPIXPASA-N 407.514 3.885 10 40 HHCB C[C@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(N2CCOCC2)cc1 225839152 UPPRDZRTBQJITB-KRWDZBQOSA-N 424.570 3.698 10 40 HHCB CN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N(c2ccccc2)C1=O 408857791 PYHIHSHNMPUKOW-QGOAFFKASA-N 416.389 3.653 10 40 HHCB COc1ccc(N2CC[C@@]3(CN(C(=O)Cc4ccc(F)cn4)CCC3(F)F)C2)cc1 1565545961 PTJBCKAHPSEYGL-NRFANRHFSA-N 419.447 3.536 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1OCc1ccccc1 1188278 XPEVTLJZABKDHG-YVLHZVERSA-N 415.492 3.560 10 40 HHCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 58865996 FEVFWFYGUCRYLC-UHFFFAOYSA-N 409.394 3.928 10 40 HHCB CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H](CNC(=O)[C@@H]4CC=CCC4)CC3)ccc21 100766677 XBXSSPHVCSRPPZ-FCEUIQTBSA-N 423.601 3.964 10 40 HHCB CCOC(=O)c1ccc(C)c(NC(=S)NCCN(C)c2ccc(OC)cc2)c1 225798795 LFALJUZNDSEJOO-UHFFFAOYSA-N 401.532 3.603 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1O 409231697 FRWWIVQONCOKPE-RIYZIHGNSA-N 416.886 3.584 10 40 HHCB CCCOC(=O)CN1C(=O)/C(=C/c2ccc(OC(C)C)c(OC)c2)SC1=S 1809423 UDRNSROFVMQCBD-YBEGLDIGSA-N 409.529 3.637 10 40 HHCB COc1cc(OC)c(OC)cc1/C=C1/C(=O)N(c2ccc(C)c(C)c2)C(=O)N=C1O 2282240 GDQZVWPTOPKPIF-CXUHLZMHSA-N 410.426 3.836 10 40 HHCB CCOc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)cc1 48988437 LHGUAADHWFNVPQ-UHFFFAOYSA-N 412.511 3.865 10 40 HHCB Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C 223574826 WUTXKJWUQYLOIY-FGZHOGPDSA-N 406.555 3.762 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccnc4)c3C)C(=O)NC2=S)cc1 408785012 FHGXZVKEGPROIG-UDWIEESQSA-N 416.506 3.629 10 40 HHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OC 408804899 CCVUENGRJBKWEG-QGOAFFKASA-N 408.454 3.713 10 40 HHCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1cc(Cl)ccc1Cl 408994550 HYZYNSQCMDPGFZ-UHFFFAOYSA-N 406.269 3.835 10 40 HHCB CCN1C(=O)/C(=C/c2cn(CC(=O)NCCCOC)c3ccccc23)c2ccccc21 409194832 CPPQUHXYQNGPAI-RCCKNPSSSA-N 417.509 3.701 10 40 HHCB COc1ccc(N2CCN(CC(=O)c3c(C)[nH]c4ccc(OC)cc34)C[C@@H]2C)cc1 2236586 VMGWIRHCVADYMU-INIZCTEOSA-N 407.514 3.887 10 40 HHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1 223614714 GQALRJUWVACGBY-YADHBBJMSA-N 406.555 3.844 10 40 HHCB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(N2CCC[C@H](C)C2)cc1 260572784 WKFDQMCVDIMQAH-HNNXBMFYSA-N 403.504 3.618 10 40 HHCB COc1cc(N2CCOCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 260784025 UQMGUZKDCXJUIC-IPHXSNPTSA-N 410.543 3.516 10 40 HHCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3cccc(O)c3)C2=O)cc1 32708034 KJCYENVFGNPACR-LICLKQGHSA-N 414.508 3.631 10 40 HHCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccccc1 408979590 NBJFEAAAJGTOAJ-RGEXLXHISA-N 407.466 3.619 10 40 HHCB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 408981754 BIOCOKYOQVVRCK-WQRHYEAKSA-N 409.438 3.590 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1Cl 409243105 YOWFLLBGCDLSRL-NTEUORMPSA-N 400.887 3.797 10 40 HHCB COc1ccc(N2C(=O)/C(=C\c3nc4ccccc4n3C)SC2=S)c(OC)c1 5235996 YJMYLEWATNQCKN-GZTJUZNOSA-N 411.508 3.996 10 40 HHCB COc1cc([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCCC5)=NN2)ccc1O 12321363 LKELZSHJFWIVCP-INIZCTEOSA-N 420.465 3.839 10 40 HHCB COc1ccc(OC)c(/C=C2\SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)c1 13123397 DPRQAHPQYRUTPT-NIFLVVHWSA-N 415.492 3.731 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)c(C)c1 409065289 HJYAZQUHDWOIOD-SFQUDFHCSA-N 423.513 3.874 10 40 HHCB COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1O 910909 UVRCFBAJGFSBNA-UHFFFAOYSA-N 414.417 3.984 10 40 HHCB COc1cccc2cc(-c3cc(=O)oc4c(CN5CCCC5)c(O)ccc34)c(=O)oc12 2123631 RMUKOFQAMUGMQE-UHFFFAOYSA-N 419.433 3.876 10 40 HHCB biogenic COc1ccccc1C(=O)NN1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S 9420255 MIWVMGXQVZGRHS-WOJGMQOQSA-N 424.503 3.560 10 40 HHCB C[C@H](NC(=O)C1(c2ccccc2F)CCOCC1)c1ccc(N2CCOCC2)cc1 19662211 AVMIVDYUJUIZIF-SFHVURJKSA-N 412.505 3.588 10 40 HHCB CN1CCCc2cc(CNC(=O)COc3ccc(Oc4ccccn4)cc3)ccc21 89382505 QXCJBOPTYSNJRA-UHFFFAOYSA-N 403.482 3.952 10 40 HHCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(C)cc1 112287430 OKYKSMLVQDJJNQ-ZHZULCJRSA-N 408.414 3.555 10 40 HHCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1c(C)n(C)n(-c2ccccc2)c1=O 408528453 HQUMFBHWQQTJLT-ZHZULCJRSA-N 401.470 3.511 10 40 HHCB CCOC(=O)COc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F 408968698 BHZWVTLDPVOUEZ-VBKFSLOCSA-N 418.371 3.977 10 40 HHCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3F)C(=O)NC2=S)c1 409239960 OVXGHIBHTJXYAA-LDADJPATSA-N 423.513 3.874 10 40 HHCB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)c1C 409394341 ZBTXREVEYVWQQM-DEDYPNTBSA-N 414.465 3.772 10 40 HHCB O=C(O)CN1C(=O)/C(=C/c2cccc(OCc3ccc(F)cc3)c2)SC1=S 1063044 KMCNDFPEDGPVEJ-SXGWCWSVSA-N 403.456 3.691 10 40 HHCB CC(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1 9135470 OQGAHKDITOGQKQ-HSZRJFAPSA-N 422.573 3.550 10 40 HHCB COc1ccc(Br)cc1/C=C1\SC(=S)N(CCCC(=O)O)C1=O 13343534 MRUMJWXOGBWVSQ-WQLSENKSSA-N 416.318 3.524 10 40 HHCB Cc1noc2nc(C(C)C)cc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c12 19714742 AKUASWQOAGAHQG-OAHLLOKOSA-N 408.502 3.982 10 40 HHCB Cc1cc(N(CCO)CCO)ccc1/N=N\c1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 25692689 KMLVKWGMGPTYLS-VXPUYCOJSA-N 423.813 3.671 10 40 HHCB O=C1/C(=C/Nc2ccc(Cn3cncn3)cc2)SC(=S)N1CCc1ccccc1 101491462 NVHZCIZVPRMRBK-UNOMPAQXSA-N 421.551 3.683 10 40 HHCB CC1CCN(Cc2ccc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)cc2)CC1 219237524 FXDAYFROQLFTIP-UHFFFAOYSA-N 420.601 3.600 10 40 HHCB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1 408952215 LLKJPPUKLXEHOO-XSFVSMFZSA-N 415.449 3.769 10 40 HHCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(C)c(OC)c3)SC2=S)cc1 33722559 XKRIQBZHWZPVJL-GZTJUZNOSA-N 414.508 3.558 10 40 HHCB C[C@H](NCc1cc(Br)cc(Br)c1O)C(=O)OC(C)(C)C 95997160 FPPNYYWMQFXSOG-QMMMGPOBSA-N 409.118 3.737 10 40 HHCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccnc4)c3C)C(=O)NC2=S)c1 408785909 JPBCCITWOUWSEU-UDWIEESQSA-N 416.506 3.629 10 40 HHCB Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)c(C)n1-c1ccccn1 4933343 DTTLTABZZRJTRI-LFIBNONCSA-N 413.499 3.867 10 40 HHCB CCOc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccc(C)c(C)c2)C1=O 5475704 SNBWDCOJMFZURA-BOPFTXTBSA-N 415.287 3.926 10 40 HHCB C[C@H]1CCc2cc(CN3C[C@@H](c4ccccn4)[C@@]4(CCCCC(=O)N4)C3)ccc2N1C 19497226 KUWOGUCJPVTOQC-NDIWIEOSSA-N 418.585 3.881 10 40 HHCB CN(C)c1ccc([C@H](CNC(=O)c2cccc3ccccc23)N2CCOCC2)cc1 22664842 YDYGTBWPELXOQL-DEOSSOPVSA-N 403.526 3.709 10 40 HHCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 223672917 HVMXVWKLFQESLA-VXKWHMMOSA-N 420.538 3.716 10 40 HHCB O=C1/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1Cc1ccccc1 54360785 DJWDIJVFQBTSNN-LSCVHKIXSA-N 422.487 3.658 10 40 HHCB Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)c1 409392420 MLCKSNQXLICHIM-DEDYPNTBSA-N 414.465 3.772 10 40 HHCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 4608568 LEZGSJSNUFYGBU-UHFFFAOYSA-N 405.376 3.547 10 40 HHCB COc1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)o3)SC2=S)cc1 4691015 ZCGVDVJMMDTRCZ-FOWTUZBSSA-N 402.497 3.531 10 40 HHCB COc1cc(OC)cc([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)c1 12296730 OOSJRPNKUUFLHJ-GOSISDBHSA-N 420.465 3.752 10 40 HHCB biogenic COc1ccc(N2CCN(c3nccn4nc(-c5ccc(F)cc5)cc34)CC2)cc1 33266301 CZKONDDJFKHSAJ-UHFFFAOYSA-N 403.461 3.871 10 40 HHCB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 107611781 NTRCUWKMEWGLFQ-CDCQXCROSA-N 415.833 3.887 10 40 HHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1F 223616152 GJRLBQQDPHDFAL-FCHUYYIVSA-N 424.545 3.983 10 40 HHCB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 409375366 JSBRAXHHTSUAOA-NDENLUEZSA-N 419.433 3.553 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCCC4)cc3C)C2=O)cc1 4703290 PHVOZZXLSGHRAJ-RCCKNPSSSA-N 403.482 3.960 10 40 HHCB CCOc1ccc(C[C@@H]2SC(=S)N(Cc3cccnc3)C2=O)c(OCC)c1 6630781 QDMVUUHPKCFJFS-SFHVURJKSA-N 402.541 3.851 10 40 HHCB CCCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCC2 35898096 GRMRNUJFJXZTGH-KNPMLCFXSA-N 403.500 3.655 10 40 HHCB COC(=O)C1=CN(c2ccc(Br)cc2)c2ccc(F)cc2S1(=O)=O 64979248 CNBWDXNXXIIWQA-UHFFFAOYSA-N 412.236 3.528 10 40 HHCB O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1CCCN1CCOCC1 96930813 JXQDHDYEUYCAKX-RVDMUPIBSA-N 417.383 3.917 10 40 HHCB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 14415052 KVLGSMZEYMZSBW-CYVLTUHYSA-N 406.438 3.900 10 40 HHCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 41078427 WFKQHNUGZNANSR-UVYYMYQDSA-N 417.421 3.673 10 40 HHCB COC(=O)c1cc(OC)c(OC)cc1N/C(C)=C1\C(=O)N(c2ccccc2)N=C1C 100423128 WFUUXMWRPIMXGA-MOSHPQCFSA-N 409.442 3.599 10 40 HHCB COc1cccc(-n2c(C)cc(C(=O)N3CSC[C@H]3C(=O)NC(C)(C)C)c2C)c1 58283577 ZASYUBGRIMDLBV-IBGZPJMESA-N 415.559 3.533 10 40 HHCB CC(/C=C1\SC(=S)N(CCCC(=O)OCCN(C)C)C1=O)=C\c1ccccc1 5376109 GYPRGJDGABKNGR-BEQKSFQUSA-N 418.584 3.719 10 40 HHCB CN1C(=O)/C(=C/c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)SC1=S 9058958 SJIWQEBUXPRVAC-UNOMPAQXSA-N 421.547 3.971 10 40 HHCB CC(=O)Oc1c(-c2ccc(O)cc2)c(O)c2oc3cc(O)c(O)cc3c2c1OC(C)=O 14645688 YJCDGKMVAYETOP-UHFFFAOYSA-N 424.361 3.926 10 40 HHCB endogenous,in-man CCN(CC)c1ccc(CN(C(=O)c2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 28228256 UKDMXDTVBNLLGC-OAQYLSRUSA-N 418.534 3.501 10 40 HHCB CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1 409129747 UPXVPJBMYDXVSU-RGEXLXHISA-N 407.539 3.981 10 40 HHCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)c(OC)c1 1508238 AXHYPZQPCSVHIA-PDGQHHTCSA-N 402.406 3.523 10 40 HHCB C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)C[C@@H](C)O1 4844339 HXJAJCWVRXGKEG-ZDDMZOBVSA-N 413.455 3.934 10 40 HHCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OCC(=O)O)SC2=S)cc1 4929480 ITUWJUPKOKXVEZ-GZTJUZNOSA-N 415.492 3.955 10 40 HHCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 5371599 XEDUOGULQAGPBE-YIXGCBLDSA-N 404.307 3.887 10 40 HHCB CCOc1ccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1 5373664 QNPLUVKIXIEELT-GFWHJHDHSA-N 413.520 3.982 10 40 HHCB CN1CCCc2cc([C@H](CNC(=O)c3ccc(Cl)cc3)N3CCOCC3)ccc21 21886900 RTUGIXBJSDPDLF-QFIPXVFZSA-N 413.949 3.526 10 40 HHCB CCCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C 27824381 CWVTZCAFLSPDIL-UHFFFAOYSA-N 418.559 3.693 10 40 HHCB C[C@@H](C(=O)Nc1ccccc1C(=O)O)N1C(=O)/C(=C\c2cccs2)SC1=S 28296925 IAUYHGGROVNFRM-RSYJBZMQSA-N 418.521 3.675 10 40 HHCB CCOc1ccc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1OCC 44902182 JMHODGLBXKMNLP-UHFFFAOYSA-N 412.530 3.570 10 40 HHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cccc4ccccc34)C2=O)cc1 408531661 LBSXPLKASXDVJP-XMHGGMMESA-N 401.422 3.817 10 40 HHCB Cn1c(=O)c2c(-c3ccc(C(C)(C)C)cc3)n(-c3ccc(N)cc3)cc2n(C)c1=O 2345762 HSVXYXBQDTWHHM-UHFFFAOYSA-N 402.498 3.575 10 40 HHCB C[n+]1c(/C=C2\C=Cc3ccccc3N2CCCS(=O)(=O)O)sc2ccccc21 5027439 OQGZNQYDKBMZGE-UHFFFAOYSA-O 413.544 3.878 10 40 HHCB Cc1ccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 13007819 KKYJEFNECIZZID-XMMPIXPASA-N 407.558 3.710 10 40 HHCB CN(C)c1ccc(CN2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccccc3)no2)cc1 15675516 ABDPAUUULGARPI-NRFANRHFSA-N 400.486 3.825 10 40 HHCB biogenic,in-vitro COc1ccccc1/C=C1/SC(=S)N(CNc2cccc([N+](=O)[O-])c2)C1=O 408720902 AMZRKGWKNRGFNR-CXUHLZMHSA-N 401.469 3.874 10 40 HHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)cs1 408898033 KRHXHLFSQCMFCP-WUXMJOGZSA-N 411.664 3.830 10 40 HHCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCc1ccccc1F 408975037 IXMIUFREZXRBRK-ODLFYWEKSA-N 414.458 3.910 10 40 HHCB O=c1ccc2ccc(O)c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@H]43)c2o1 606440430 MJNBWCXFQYNSNU-KLNOSBNDSA-N 406.526 3.894 10 40 HHCB biogenic CCCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@@H](C)C2 4613978 IVFLOMBMZSYNAC-XRQSXFTLSA-N 417.527 3.901 10 40 HHCB Cc1cc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)no1 6130690 VTMVPNKJUHVFQZ-UKTHLTGXSA-N 407.904 3.866 10 40 HHCB COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c(OC)c1 33330618 YRVWKCWCAKKGEH-CXUHLZMHSA-N 401.465 3.808 10 40 HHCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(C(N)=O)cc2)o1 101651767 PVBUHOUQRIJFQH-UNOMPAQXSA-N 415.405 3.550 10 40 HHCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(N2CCCC2)c2ccccc12 6258099 MGJBMJTYOUOHHA-XSFVSMFZSA-N 415.449 3.695 10 40 HHCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 14414517 UAGJEZWMPRPYKQ-AQTBWJFISA-N 423.465 3.898 10 40 HHCB COC(=O)Cn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1nc(C)cs1 44085970 GXKVXMDELMVAFW-UHFFFAOYSA-N 416.528 3.527 10 40 HHCB CCOc1cccc(CN2CCC(c3cc(O)nc(-c4cccnc4)n3)CC2)c1O 72392791 IVTWQGKRSKMAKP-UHFFFAOYSA-N 406.486 3.728 10 40 HHCB NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 15009486 SPCKCAPUVYXCMX-OVCLIPMQSA-N 404.900 3.610 10 40 HHCB CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\Nn1cnnc1 17193974 VNOBLFRJASDMBP-MTJSOVHGSA-N 402.502 3.596 10 40 HHCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(OC)ccc1OC 100208005 VLYISSOSMWNYDN-ZHZULCJRSA-N 423.465 3.980 10 40 HHCB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)OCCN(C)C)C2=O)cc1 5376053 ZKKAMHJLDQESBL-SDXDJHTJSA-N 420.600 3.861 10 40 HHCB O=C(O)c1cccc(-c2ccc(/C=C3\C(=O)N(Cc4ccco4)C(=O)N=C3O)o2)c1 8742510 FFZYEWIBCULOPF-YBEGLDIGSA-N 406.350 3.740 10 40 HHCB CN1NC(C(=O)/N=N/C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)=CC=C1O 9613921 BMZBCVZPYKHPOY-GHVJWSGMSA-N 412.833 3.771 10 40 HHCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(C)cc1 59435767 JVMXJNYSRALSEL-ZHZULCJRSA-N 421.493 3.928 10 40 HHCB COC(=O)C1=CN(c2cccc(C(F)(F)F)c2)c2ccc(F)cc2S1(=O)=O 64979258 ZKXDBTLNBHQFLK-UHFFFAOYSA-N 401.337 3.784 10 40 HHCB O=S(=O)(NCCCSc1nccs1)c1ccc2nc(Cl)sc2c1 79108452 DWFBKUREXRBBKU-UHFFFAOYSA-N 405.979 3.867 10 40 HHCB CCCC[C@H](CC)COCCCN/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 102411560 JZTFAHZEIWARHU-CMAIMYMYSA-N 415.534 3.674 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 409398832 DFJLPZGNHCWQRL-WJDWOHSUSA-N 408.797 3.760 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccnc3)C2=O)c1 4063589 DLEZMFMZKMZSLQ-ATVHPVEESA-N 413.524 3.710 10 40 HHCB COc1ccc(CCN2C(=O)/C(=C/c3ccc(C=O)cc3)SC2=S)cc1OC 5375053 GLJZTKDJBNILEV-UNOMPAQXSA-N 413.520 3.960 10 40 HHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C 223010421 FACUSZHNCFEIQC-FGZHOGPDSA-N 422.554 3.814 10 40 HHCB COc1ccc2c3c(n(CCc4ccccn4)c(=O)c2c1OC)-c1ccccc1C3=O 604404463 OAGGDMVHWGZHKG-UHFFFAOYSA-N 412.445 3.868 10 40 HHCB biogenic COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1 41078458 VTPZFAHAFWNTSG-YIJSYRLLSA-N 419.437 3.603 10 40 HHCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccccc4)cc3)C(=N)N2O1 41082676 SBNBJUSTXVHNQB-HJFHBGSISA-N 403.438 3.985 10 40 HHCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223623285 BNKSCVXQUWZORU-LEWJYISDSA-N 421.570 3.547 10 40 HHCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)cc1OC 408896374 YEIMSSLYGLNDCF-UNOMPAQXSA-N 409.438 3.590 10 40 HHCB CN(C)c1ccc(CN(C(=O)c2cccc3ccccc23)[C@@H]2CCS(=O)(=O)C2)cc1 6351351 RMGDEDGTEIMSCK-OAQYLSRUSA-N 422.550 3.735 10 40 HHCB C[C@H](Nc1ccc(Nc2ccccc2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9613689 FIMPXCVNTWWTNQ-HNNXBMFYSA-N 410.499 3.517 10 40 HHCB COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)O 210451601 VOPULFULDDEZRD-PXNMLYILSA-N 419.455 3.704 10 40 HHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OC(C)C)C2=O)cc1 408797992 HOFFCTZOHPHNNP-GZTJUZNOSA-N 414.845 3.802 10 40 HHCB CCN1CCN(Cc2ccccc2O)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 1848354136 NHFSRMKVZNDKOW-HSZRJFAPSA-N 415.537 3.977 10 40 HHCB COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(OC)c3)SC2=S)c(OC)c1 5372030 QMXNDMQYDPCIJA-MFOYZWKCSA-N 403.481 3.824 10 40 HHCB O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1ccc(OC(F)(F)F)cc1 96967717 HAZGZVWCGGEAMN-UHFFFAOYSA-N 401.391 3.905 10 40 HHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)cs2)C1=O 409241979 TUWUVQOSFQHLDD-XYOKQWHBSA-N 421.272 3.576 10 40 HHCB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 4541621 WQSDCZKQFLNPDH-UHFFFAOYSA-N 406.438 3.676 10 40 HHCB COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C(=O)O)c3)C2=O)cc1 5374086 OVOJVNQXAMQLKY-SXGWCWSVSA-N 413.476 3.886 10 40 HHCB CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)O)cc3)SC2=S)cc1 7209158 PAINCMOPQIEUEJ-GZTJUZNOSA-N 414.508 3.622 10 40 HHCB COCCn1cnnc1SCC(=O)c1cc(C)n(-c2ccc3c(c2)CCC3)c1C 7734654 PNCWIBNPQBZYLR-UHFFFAOYSA-N 410.543 3.796 10 40 HHCB CCc1ccc(N2C(=O)N=C(O)/C(=C\NN3CCCC[C@@H]3c3cccnc3)C2=O)cc1 8974602 AUCGSNXLMGGLTP-ZWUNQBBJSA-N 419.485 3.683 10 40 HHCB COc1ccc(N2CCN(CCCNC(=O)CCc3ccccc3Cl)CC2)cc1 28064971 ZHFDZZOVNNNHKD-UHFFFAOYSA-N 415.965 3.610 10 40 HHCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C/N[C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)C2=O)c(C)c1 101252937 ZIJZQFADSMDGSP-HKPINNDDSA-N 409.530 3.883 10 40 HHCB CCCCCCOc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1OCC 408537715 GZEZWQAUACNOFT-UHFFFAOYSA-N 410.923 3.612 10 40 HHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3c(C)n(C)c4ccccc34)C2=O)cc1 4649282 FORMDDZUPBADDA-UYRXBGFRSA-N 403.438 3.552 10 40 HHCB COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)c1 8753580 VXWSJVBUVZMLEU-PXNMLYILSA-N 417.464 3.513 10 40 HHCB CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)C(C)C 225245877 LDPABGACHVJGRK-UHFFFAOYSA-N 408.501 3.533 10 40 HHCB CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H](CNC(=O)C4CCCC4)CC3)ccc21 257311505 UJUPCFUSAYZALB-XGAFWQRZSA-N 411.590 3.798 10 40 HHCB CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 408809950 HUYAPESLBPDLLU-RVDMUPIBSA-N 414.845 3.804 10 40 HHCB O=C(O)CCSc1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1O 5516228 QJZOCSSVLNWQAI-UHFFFAOYSA-N 403.481 3.913 10 40 HHCB COc1ccc(CCN2C(=O)/C(=C\c3ccc(O)c(O)c3)SC2=S)cc1OC 28296857 XLYUDMWXVJVGOS-WOJGMQOQSA-N 417.508 3.559 10 40 HHCB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(N2CCCCCC2)o1 409015505 BISYGIRYNHUNRG-GHRIWEEISA-N 413.474 3.630 10 40 HHCB COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3C)c2C)C(C(=O)OC)=C1C 409061783 HZEMSFGCHUYHJC-ZHZULCJRSA-N 408.498 3.722 10 40 HHCB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 409375945 RGBAUYPREJSFEP-ODLFYWEKSA-N 406.394 3.675 10 40 HHCB CN(C)S(=O)(=O)c1cccc(NC(=S)NNc2ccc(Cl)c(Cl)c2)c1 9441701 WGRZYMYMAQXXCM-UHFFFAOYSA-N 419.359 3.557 10 40 HHCB Cc1cccc(N2C(=O)/C(=C\NN3CCCC[C@@H]3c3cccnc3)C(O)=NC2=S)c1 38161350 IHVQZUIHIRKOCA-GDLUXTLDSA-N 421.526 3.594 10 40 HHCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OC(C)(C)C 107837527 XGCADVHDQKUJMP-GDNBJRDFSA-N 400.862 3.987 10 40 HHCB Cc1ccc(C2=NN[C@]3(S2)C(=O)N(CCN2CCCCC2)c2ccccc23)cc1 1442299 RDDXSWFPWFHBKE-HSZRJFAPSA-N 406.555 3.679 10 40 HHCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1C[C@@H](C)CC2 4513277 HCYWBISQVXIIPQ-DCRFOKDXSA-N 417.527 3.901 10 40 HHCB CCCCC1(C)OC(=O)C(=Cc2cc(Br)c(OC)c(OC)c2)C(=O)O1 6309771 IIOQVYKNGQCMHG-UHFFFAOYSA-N 413.264 3.856 10 40 HHCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3C)C2=O)ccc1O 16661538 LPLHZSYSNTXZOK-LICLKQGHSA-N 414.508 3.564 10 40 HHCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1ccc(O)cc1 95471563 ISXARFFCPYMJBQ-YBEGLDIGSA-N 419.222 3.715 10 40 HHCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\C=C\c2ccc(N(C)C)cc2)C1=O 409230077 BECQJQRUMWPHOX-BHAVQNJHSA-N 409.873 3.937 10 40 HHCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)Cc3ccccc3F)c2C)cc1 2635458 PVPYQXGULLQWFM-UHFFFAOYSA-N 423.440 3.988 10 40 HHCB C#CCOc1cc(Br)c(/C=C2\SC(=S)N(CC)C2=O)cc1OC 6144868 WLAYYBYUUDRHBP-ZSOIEALJSA-N 412.330 3.691 10 40 HHCB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C 9402848 RKUARDDBGIXTEN-UHFFFAOYSA-N 423.425 3.806 10 40 HHCB Cc1ccc(S(=O)(=O)Nc2cc(Sc3ncn[nH]3)c(O)c3ccccc23)cc1 2685344 FXLOIHKNBSACNL-UHFFFAOYSA-N 412.496 3.924 10 40 HHCB O=C(O)c1ccc(N2C(=O)/C(=C\C3=Cc4ccccc4OC3)SC2=S)cc1O 6660243 SYBQUDYASGCIOQ-CAOOACKPSA-N 411.460 3.815 10 40 HHCB COc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)ccc1OCc1ccccc1 12549574 RUIZDWPMDDZXNB-ZHZULCJRSA-N 410.495 3.577 10 40 HHCB CC(=O)Oc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1Br 58856499 MECHXTLEKPSGGT-UHFFFAOYSA-N 409.232 3.518 10 40 HHCB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CC[C@@H](C)C2 102345167 KTHFHVLRIZBOIV-HVCLXXKLSA-N 417.527 3.901 10 40 HHCB COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)O 2815584 XOFMBPFRUANQLW-OOIIIRTPSA-N 415.492 3.953 10 40 HHCB O=[N+]([O-])c1cc(Br)cc([C@@H]2C=C(c3ccccc3)Nc3ncnn32)c1O 3060172 RVKSESRJSNXOML-AWEZNQCLSA-N 414.219 3.710 10 40 HHCB Cc1cc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccccc1 3315011 ATVQSGBVRMKOON-UHFFFAOYSA-N 417.509 3.600 10 40 HHCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OC)c(Cl)c3)C2=O)cc1 4456493 WGGXUYXGXVKTDA-QPEQYQDCSA-N 421.236 3.677 10 40 HHCB Cc1ccc(NC(=O)CN(C)C(=O)CSc2ncc(-c3ccccc3)n2C)cc1 5263872 HFRMAVXVNZVVKQ-UHFFFAOYSA-N 408.527 3.585 10 40 HHCB CN(C)c1ccc([C@H](CNC(=O)c2ccc3ccccc3c2)N2CCOCC2)cc1 22664861 LBNAZPFXBZWTJI-DEOSSOPVSA-N 403.526 3.709 10 40 HHCB CCOc1ccccc1/C=C1\C(=O)N(Cc2ccc(OC)cc2)C(C)=C1C(=O)OC 408765972 CDTMWNRCQWFKNB-ZHZULCJRSA-N 407.466 3.967 10 40 HHCB COCCCN(Cc1c(O)ccc2ccc(=O)oc12)C[C@@H]1CCCN2CCCC[C@H]12 524729194 IDVMIFUOORNCTR-PZJWPPBQSA-N 414.546 3.602 10 40 HHCB biogenic CCc1ccccc1N1C(=O)/C(=C\c2cccn2-c2ccccc2)C(=O)NC1=S 4739024 UWENTBPAFKZNLC-CYVLTUHYSA-N 401.491 3.871 10 40 HHCB CCOc1ccc(/C=C2\SC(=S)N([C@H](CC(C)C)C(=O)O)C2=O)cc1OC 5371465 FIIIQTBZIMUXEH-YDRQLGOLSA-N 409.529 3.794 10 40 HHCB O=C1N=C(O)/C(=C/c2ccc(Br)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 16400288 ZVDOSDQSUUIJOP-ZROIWOOFSA-N 416.187 3.864 10 40 HHCB Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)c(C)n1-c1ccc(C(C)C)cc1 32903784 RVVROOIMWFHKIO-UHFFFAOYSA-N 403.530 3.970 10 40 HHCB CCN1c2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)cc2C(C)=CC1(C)C 208512985 WQHFXEDNKUVPPS-CXUHLZMHSA-N 402.541 3.994 10 40 HHCB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(OC)c1OC 408981123 ZPVIMSIJCMTYGM-CYVLTUHYSA-N 407.466 3.619 10 40 HHCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C1=O 409093905 BNEOLJPZVKHAHA-VZWMTCDZSA-N 402.447 3.831 10 40 HHCB O=C(CCc1cc(Cl)no1)Nn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 1547200875 MZEUQFCSBFMWRG-UHFFFAOYSA-N 419.824 3.557 10 40 HHCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(O)cc3)C2=O)cc1 4174705 RGWWWCGKTDJYBL-BOPFTXTBSA-N 414.508 3.631 10 40 HHCB Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)c(C)c1 4330767 FOCLPFOHGJQIJT-QFIPXVFZSA-N 422.573 3.570 10 40 HHCB COCCn1cc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc21 5266302 CAJOYFYXMAYJTE-UHFFFAOYSA-N 408.502 3.650 10 40 HHCB O=C1N=C(S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N2CCCC2)o1 8913852 SVVDYUMVXPFBGQ-PTNGSMBKSA-N 401.875 3.776 10 40 HHCB CCOc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccc(Cl)cc2)C1=O 16692102 MHTPQYOARNKFMK-GDNBJRDFSA-N 421.678 3.963 10 40 HHCB CCN1CCCc2cc(CN3CCc4c(O)nc(-c5ccncc5)nc4C3)ccc21 19527298 ZEMXMIBSKYAKHB-UHFFFAOYSA-N 401.514 3.575 10 40 HHCB Nc1nonc1/N=N/N(c1nonc1N)[C@H](c1ccccc1)c1ccc(Cl)cc1 59520325 GOXGRYUVTNCQNX-GUCOUQCLSA-N 411.813 3.565 10 40 HHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1C(=O)O 222742076 VWUDCVPGEHQRIB-WOJBJXKFSA-N 406.511 3.790 10 40 HHCB Cc1nn(-c2ccccc2)c(O)c1N=Nc1cc(Cl)cc(S(=O)(=O)O)c1O 255975324 GWRGTTDDDGIZMG-UHFFFAOYSA-N 408.823 3.907 10 40 HHCB CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1O 1241734 WEOWSWSJFZXHHT-CAOOACKPSA-N 401.465 3.925 10 40 HHCB O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 13678258 PYTPEDDBMSKKJX-MLPAPPSSSA-N 424.843 3.794 10 40 HHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OC(C)C 408816262 RJLPDEXHHZWWQF-GZTJUZNOSA-N 408.454 3.766 10 40 HHCB CCCOc1ccccc1/C=C1/C(=O)NN(c2cccc(Br)c2)C1=O 2058440 WDTHFHASNKRDQW-WJDWOHSUSA-N 401.260 3.699 10 40 HHCB Cn1cccc1/C=C1/SC(Nc2ccc(I)cc2)=NC1=O 5374469 CDICDQKLRBVRBG-UKTHLTGXSA-N 409.252 3.712 10 40 HHCB O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)/C1=C/Nc1cccc(C(F)(F)F)c1 13511886 VKBZZMLZXPNZHY-OQLLNIDSSA-N 423.391 3.584 10 40 HHCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/c1ccc([N+](=O)[O-])cc1 35043554 ZHMGWEQLZCKVKX-QGOAFFKASA-N 412.446 3.526 10 40 HHCB Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)c2C)c1 223575009 SIXNFIHGMGDNIR-FGZHOGPDSA-N 406.555 3.762 10 40 HHCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CCOC)C2=O)cc1Br 409140379 ROILOAALUUBBLK-RVDMUPIBSA-N 413.337 3.978 10 40 HHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)ccc1OC(C)C 409222604 CGOCBQIBKHBWEM-LFIBNONCSA-N 410.495 3.622 10 40 HHCB Cc1c(C(=O)N(C)C)sc2ncn3nc(-c4ccc(-n5cccc5)cc4)nc3c12 2792612 AUXWPSSDEINHMA-UHFFFAOYSA-N 402.483 3.807 10 40 HHCB O=C1/C(=C\c2cccc(O)c2)SC(=S)N1/C=C\c1nc2ccccc2[nH]c1=O 5724421 YHEDFHPMMARWFA-OXGNJBPASA-N 407.476 3.501 10 40 HHCB CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 6159283 FMCSJYCRFSMLCS-OTXPQFFASA-N 411.462 3.809 10 40 HHCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C(=O)NC1=S 6630132 JQECBRGPMQEGTM-XNTDXEJSSA-N 401.919 3.703 10 40 HHCB Cc1cccc(N2C(=O)/C(=C/NN3CCCC[C@H]3c3cccnc3)C(O)=NC2=S)c1 6898276 IHVQZUIHIRKOCA-ZSFFSCSXSA-N 421.526 3.594 10 40 HHCB CN1CCc2cc([C@H](CNC(=O)COc3ccccc3F)N3CCCCC3)ccc21 13007824 IVMIIFFKSUQFKK-QFIPXVFZSA-N 411.521 3.540 10 40 HHCB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 33316822 YJEAPFWLHGWJPO-SFQUDFHCSA-N 409.398 3.649 10 40 HHCB CCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1I 34859226 WBRFBIHJPLDIGC-WQLSENKSSA-N 419.309 3.911 10 40 HHCB O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[C@@H]1c1cccc(Cl)c1 72277265 FUDMLYYDMIVLMI-MOPGFXCFSA-N 402.897 3.860 10 40 HHCB CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cccc1OC 408903120 PORCISNTMBKQLP-LVLBFHFTSA-N 412.417 3.678 10 40 HHCB CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OCC 408982100 FRUUASVTKDLDHF-AQTBWJFISA-N 408.454 3.713 10 40 HHCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 408995724 DKHRFCHQEFOESU-MOSHPQCFSA-N 405.450 3.967 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)ccc1OC 409137136 VGVMSZCBCSMZIH-LFIBNONCSA-N 410.495 3.542 10 40 HHCB O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc2nonc12 9045960 UXQQEIUMYQNXSL-VBKFSLOCSA-N 424.507 3.843 10 40 HHCB CC(C)=C[C@@H]1[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)C1(C)C 27662889 LFUJDIBEYVPDBD-NJDAHSKKSA-N 418.603 3.507 10 40 HHCB CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCC2 102345181 IPWOJINDHICCPA-RKLWJJNISA-N 403.500 3.654 10 40 HHCB O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc2nccnc2c1 9476826 AUMCUXYKOUFYNG-ATVHPVEESA-N 424.507 3.843 10 40 HHCB COc1ccccc1C1(O)CCN(Cc2ccc(O)c(CN3CCCCC3)c2)CC1 12292837 LVIIYTSHKATDDL-UHFFFAOYSA-N 410.558 3.870 10 40 HHCB COC(=O)c1ccc(CN2C(=O)S/C(=C/C=C/c3ccc(N(C)C)cc3)C2=O)o1 107551257 XMTOKIPNHJULTN-AHEGLGOKSA-N 412.467 3.925 10 40 HHCB Cc1cccc(N2C(=O)/C(=C/C=C/c3ccc(N(C)C)cc3)C(=O)NC2=S)c1C 409124193 ADIPZTPOFGVNKF-GRHJKWIASA-N 405.523 3.757 10 40 HHCB COc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(OC)c1OC 5124360 MIFSANPRVZBRRT-UHFFFAOYSA-N 417.417 3.740 10 40 HHCB CCOc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OC(C)=O 5475184 WDJUFWASONFNMT-WOJGMQOQSA-N 408.410 3.515 10 40 HHCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cccc2ccccc12 5570598 SGEBBZFCMXZNDI-UHFFFAOYSA-N 403.507 3.846 10 40 HHCB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)NC(=O)N=C2O)cc1C 8856589 JJWKGJOLEOHRIA-UHFFFAOYSA-N 416.437 3.836 10 40 HHCB COc1ccc(N2CCN(C[C@@H](O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)CC2)cc1 55501562 YXWLUFJYUXOUAJ-HFGNEKBZSA-N 404.595 3.656 10 40 HHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc2c(c1)OCO2 222745239 ONDBVEFAKGCJKX-SFTDATJTSA-N 406.511 3.820 10 40 HHCB CCOc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 408553144 XXJRIKWSXZIHAQ-UVTDQMKNSA-N 419.865 3.622 10 40 HHCB CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCc2ccccc2)cc1 15922466 AOUMXQOYKUEUHZ-LYBHJNIJSA-N 413.521 3.882 10 40 HHCB O=C(NC1(NCc2ccccc2)C(=O)c2ccccc2C1=O)c1cccc(Cl)c1 226298054 SMVOMOOMKPAKTO-UHFFFAOYSA-N 404.853 3.635 10 40 HHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc(F)c4)o3)C2=O)cc1 409009937 ANVGUDHQEHRNRC-LDADJPATSA-N 406.369 3.761 10 40 HHCB CCc1nccn1Cc1cc(CNC[C@H](O)COc2ccc(C)cc2C)ccc1OC 585292190 FQYNHEPXBKBXED-QFIPXVFZSA-N 423.557 3.649 10 40 HHCB COc1cc(OC)cc([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)c1 12296729 OOSJRPNKUUFLHJ-SFHVURJKSA-N 420.465 3.752 10 40 HHCB biogenic COc1ccc(N2CCN(C(=O)c3cccc(Nc4nc(C)cc(C)n4)c3)CC2)cc1 225915728 QDXDMOWCYVCDFJ-UHFFFAOYSA-N 417.513 3.808 10 40 HHCB COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c1 408877280 UDEFOWWOKUWDAO-VIZOYTHASA-N 405.237 3.977 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(=O)N(C)C2=S)cc1 680408 ROGJUSXDFCOQBT-NBVRZTHBSA-N 409.511 3.752 10 40 HHCB CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nccs3)C2=O)cc1 2972378 WCLSRMSZEJYIOH-SDNWHVSQSA-N 419.553 3.772 10 40 HHCB CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(Cl)cc3Cl)C2=O)cc1 5474380 HPQJZEGVAFMCBV-DHDCSXOGSA-N 405.237 3.632 10 40 HHCB COC(=O)CCc1c(C)c2ccc(O)c(CNCCCc3ccccc3)c2oc1=O 6760216 UZAPCYVBLUHHTG-UHFFFAOYSA-N 409.482 3.635 10 40 HHCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)N2CCCC2)cc1 15970840 FJKKGIYVDZUNMO-PZUNEJSGSA-N 413.606 3.823 10 40 HHCB biogenic O=C(COC(=O)CCC1CCCC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 20969368 RSECQWNZPFOOHJ-UHFFFAOYSA-N 405.450 3.914 10 40 HHCB CCn1c(-c2cccs2)nn(CN2CCN(c3ccc(OC)cc3)CC2)c1=S 56552761 FZRLTLGSFBGRHK-UHFFFAOYSA-N 415.588 3.951 10 40 HHCB O=C1N=C(O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccco1 1756276 OZYQTYYVJNUVMW-MHWRWJLKSA-N 407.338 3.950 10 40 HHCB O=C(O)CN1C(=O)/C(=C/c2ccc(-c3nc4ccccc4s3)o2)SC1=S 2411939 CIXZVIJVZIFNNJ-QPEQYQDCSA-N 402.478 3.842 10 40 HHCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCC2 4611979 LWEQYPUQHXGNHP-KOZAUXTDSA-N 403.500 3.655 10 40 HHCB CC[C@@H](C)N1C(=O)/C(=C/c2c(NCC(C)C)nc3ccccn3c2=O)SC1=S 5065993 FMSRQOQKPJSPAG-NWFCWYBLSA-N 416.572 3.762 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1O 9188837 HYVOWUBQWFOZRH-PXNMLYILSA-N 401.465 3.531 10 40 HHCB Cc1cc(N)ccc1/N=N\c1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1 13586631 XXZDPVOWJBCNQC-VXPUYCOJSA-N 421.456 3.639 10 40 HHCB O=C1N=C(N2CCOCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1 26763534 ZFDWWZOUIOPEFD-HKWRFOASSA-N 416.506 3.842 10 40 HHCB CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O 408804527 ARTDHIDSELWUIK-CPNJWEJPSA-N 424.453 3.549 10 40 HHCB O=C(O)CN1C(=O)/C(=C\c2ccccc2OCc2ccc(F)cc2)SC1=S 5636410 QTPUSRCZVSTLDV-CXUHLZMHSA-N 403.456 3.691 10 40 HHCB CN1CCc2cc([C@@H](CNC(=O)COc3ccc(Cl)cc3)N3CCCC3)ccc21 8963223 BCOYKUWOXNNSDC-JOCHJYFZSA-N 413.949 3.664 10 40 HHCB Cc1cccc(N2C(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)O)cc3)C(O)=NC2=S)c1C 13940415 MKXLYMDRPPNJHT-FMNVXAMXSA-N 424.478 3.827 10 40 HHCB COc1cc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)ccc1O 13940894 MFPGGJVERWTATH-PBGDOYKQSA-N 424.507 3.911 10 40 HHCB CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1 38392180 HGURCLSVRGTNDJ-MHWRWJLKSA-N 401.469 3.772 10 40 HHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1N1CCCCC1 408903700 WPLQECCFEPWDGX-XMHGGMMESA-N 407.445 3.791 10 40 HHCB CCOc1c(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cccc1OC 409346593 LPZDSRZJECYVNR-GXDHUFHOSA-N 420.537 3.702 10 40 HHCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccccc3C=O)c2C)cc1 3281882 NXCMXUJISLCWMB-UHFFFAOYSA-N 419.433 3.733 10 40 HHCB COC(=O)c1ccc([C@@H]2Nc3ccc(C(=O)NCCC(=O)O)cc3[C@H]3C=CC[C@@H]32)cc1 4623631 XFZYFNFEFFKRCP-SPEDKVCISA-N 420.465 3.504 10 40 HHCB CC[C@H](C)N1C(=O)/C(=C/NCCC(c2ccccc2)c2ccccc2)C(=O)NC1=S 5925129 JVZGDAKJKJVUNM-QFGIDJEJSA-N 421.566 3.724 10 40 HHCB COc1ccc(N2CCOCC2)c(NC(=O)COc2ccc(Cl)cc2Cl)c1 20529126 HFBUUHIPBFIWLU-UHFFFAOYSA-N 411.285 3.856 10 40 HHCB COc1ccc2nc(N/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)sc2c1 100947700 ILKXUTWDPBFTKL-XNTDXEJSSA-N 422.466 3.501 10 40 HHCB Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O 408961991 WPQFIAMYASGEBF-GHRIWEEISA-N 409.486 3.566 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c1OCC(=O)O 409338504 LARHCNXBXATKEB-DHDCSXOGSA-N 419.455 3.704 10 40 HHCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc3c(c2)CCCN3C)SC1=S 13736361 LPMHWPBUPFMTRI-PCJMVEANSA-N 404.557 3.770 10 40 HHCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C4CCCCC4)C3=O)c2C)cc1 17300004 GDBYXPBOLOCNIK-KGENOOAVSA-N 421.497 3.897 10 40 HHCB COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 113830921 JTIFHPYOOVBJPB-GDNBJRDFSA-N 400.437 3.787 10 40 HHCB COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(O)c1 408897575 YLZONCCOZKVLFS-UHFFFAOYSA-N 414.417 3.984 10 40 HHCB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 408953352 OUDRLYJSCOZGJD-KGENOOAVSA-N 415.449 3.769 10 40 HHCB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2cnc3ccccc3n2)SC1=S 13690641 YJZNTHIWVCUTIH-KGZWWPETSA-N 407.476 3.657 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC 409235445 QASVIDSDHUIDGO-GZTJUZNOSA-N 410.495 3.659 10 40 HHCB O=C1N(CCOc2ccccc2)c2ccccc2[C@@]12NN=C(c1ccccc1)S2 670431819 XRIQCUVRXLHEEX-QHCPKHFHSA-N 401.491 3.963 10 40 HHCB CCc1ccc(/C=C2\SC(N3CCN(c4ccccc4[N+](=O)[O-])CC3)=NC2=O)cc1 9293704 SFJNKGQHLJSYBT-HKWRFOASSA-N 422.510 3.950 10 40 HHCB CS(=O)(=O)c1ccc(Nc2ccc(NCC3CCCC3)cc2)c(S(C)(=O)=O)c1 58217526 BARPUXMHQYAPRU-UHFFFAOYSA-N 422.572 3.839 10 40 HHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC)C2=O)cc1 408818852 YOIYCTRAZVUZIQ-SFQUDFHCSA-N 414.845 3.804 10 40 HHCB O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)SC1=S 9850769 BYYYRLFWFOWDAA-AWNIVKPZSA-N 423.855 3.584 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 108939808 LMHQKJXRKAMWFH-UYRXBGFRSA-N 415.405 3.635 10 40 HHCB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2c(O)ccc3ccncc23)CC1 14197260 HSSKUIJZOMYDNM-UHFFFAOYSA-N 404.466 3.807 10 40 HHCB COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C 222765283 IRVAKZHEVSJBHF-SFTDATJTSA-N 420.538 3.878 10 40 HHCB Cc1ccc(COc2c(Cl)cc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)cc1 409049192 VMZRLVNTYULCJE-UHFFFAOYSA-N 405.237 3.630 10 40 HHCB COc1ccccc1/C=C1/SC(=S)N(CCC(=O)Nc2cccc(O)c2)C1=O 1235680 GWSKKPNVTXFJFH-GZTJUZNOSA-N 414.508 3.631 10 40 HHCB COc1ccc(OC)c(/C=C2\SC(Nc3ccc(OC)cc3OC)=NC2=O)c1 5376460 QKBFERQZBZWIRM-ZDLGFXPLSA-N 400.456 3.803 10 40 HHCB COc1ccc(Cl)c2ccc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)nc12 6660602 VFVZRKLMTDMJGQ-JYRVWZFOSA-N 408.888 3.573 10 40 HHCB COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1 7467961 BAUAIVAADISFCD-UHFFFAOYSA-N 406.438 3.676 10 40 HHCB O=C(O)CCc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 13251338 KKGGKDBHLIEARW-UHFFFAOYSA-N 417.527 3.933 10 40 HHCB CN(C)c1ccc([C@H](CNC(=O)C2CCCC2)N2CCN(c3ccccc3)CC2)cc1 22665202 CFGXFEUHAYDEAR-VWLOTQADSA-N 420.601 3.922 10 40 HHCB CN(Cc1ccc(N(C)C)cc1)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O 23652598 OXTLOFWOHMSTOJ-UHFFFAOYSA-N 400.567 3.669 10 40 HHCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)cc1 223635692 RZLJYLVAZVRDDZ-FGZHOGPDSA-N 422.554 3.544 10 40 HHCB COc1cc(OC)c(OC)cc1/C=C1/C(=O)N(c2ccc(C)cc2C)C(=O)N=C1O 17058924 FSZAQFOWNBWMID-OQLLNIDSSA-N 410.426 3.836 10 40 HHCB COc1ccc(N2CCN([C@@H](CC(C)C)c3nnnn3Cc3ccccc3)CC2)cc1 57670705 KERDLPBOIDRFEN-QHCPKHFHSA-N 420.561 3.639 10 40 HHCB COCCN1C(=O)[C@H](Cc2ccc(OCc3ccc(C)cc3)cc2)SC1=S 409145354 OPRALHWZLUKSCS-IBGZPJMESA-N 401.553 3.992 10 40 HHCB Cc1cccc(Cn2c(C)c(C=C3C(=O)N(C)C(=O)N(C)C3=O)c3ccccc32)c1 4663748 ASICKACYTHNSMG-UHFFFAOYSA-N 401.466 3.740 10 40 HHCB CCCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 5376045 HBVIRWINFMJVJC-SSZFMOIBSA-N 421.540 3.798 10 40 HHCB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 14415066 XYAQYPVEYZNQSS-PGMHBOJBSA-N 419.477 3.779 10 40 HHCB Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)N(C)C2=O)c1 27019963 QKZIHJFNGTUZSW-UHFFFAOYSA-N 414.465 3.590 10 40 HHCB CCC1=NN2C(=N)/C(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)C(=O)N=C2S1 3864206 SDFYCMQZQWAQJW-VRENQZFPSA-N 408.439 3.762 10 40 HHCB C[C@H](Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc2cccnc2c1O 4627698 WUMBPDDONXYOSU-AWEZNQCLSA-N 421.482 3.704 10 40 HHCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(N2CCCC2)o1 17092078 CAQKGVJDZNEJEX-RAXLEYEMSA-N 420.252 3.853 10 40 HHCB CC1=NN2C(=N)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3Cl)C(=O)N=C2S1 41108068 XGYHYETVLQRQCO-AQINLTQESA-N 414.834 3.678 10 40 HHCB COc1ccc(C)cc1/N=N/[C@H]1C(=O)N(C(=O)CC(=O)Nc2cccc(C)c2)N=C1C 104236506 ZXLDYHNALILNBH-JOWZZTKRSA-N 421.457 3.538 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(OC(C)C)c1 408808640 QMSAYLOZSJASFI-WOJGMQOQSA-N 408.454 3.766 10 40 HHCB Cc1c(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc(N2CCCC2)c1C 408550469 HDEOVAFFYCJIIK-CPNJWEJPSA-N 413.543 3.562 10 40 HHCB COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O 1248394 BASIDCBKTLMICS-XNTDXEJSSA-N 404.900 3.895 10 40 HHCB Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1 12597564 CSYSCJFLIYRGQD-UHFFFAOYSA-N 403.526 3.856 10 40 HHCB COc1ccccc1CN(Cc1ccc(N2CCOCC2)cc1C)C1CCN(C)CC1 19664404 BSLHTUAFENVZDV-UHFFFAOYSA-N 423.601 3.937 10 40 HHCB COc1ccccc1CN(CC(=O)O)C(=O)Cc1ccc2c3ccccc3n(C)c2c1 257230442 GCIOUIOMUCIYFD-UHFFFAOYSA-N 416.477 3.996 10 40 HHCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OC 408796952 FFOOWLCBMWMMPR-OQLLNIDSSA-N 414.845 3.722 10 40 HHCB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O 408818452 XZUUDTSGPOOJIU-CXUHLZMHSA-N 414.845 3.722 10 40 HHCB Cc1ccc(COc2ccc(/C=C3\SC(N4CCN(C)CC4)=NC3=O)cc2)cc1 6841163 SWJVYXQYLXIWLC-QNGOZBTKSA-N 407.539 3.792 10 40 HHCB CNC(=O)c1cccc(NC(=O)CN(Cc2ccccc2)c2ccc(OC)cc2)c1 40012111 VLDPORGQFWZTOA-UHFFFAOYSA-N 403.482 3.700 10 40 HHCB COc1ccc(N2CCN([C@@H](CNC(=O)C3CCCCC3)c3ccco3)CC2)cc1 56946080 AOQALORSKZNQDP-QFIPXVFZSA-N 411.546 3.848 10 40 HHCB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1 223701917 WKFDQMCVDIMQAH-OAHLLOKOSA-N 403.504 3.618 10 40 HHCB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 409341268 AOEUEJHPNOWNKW-FYJGNVAPSA-N 415.449 3.885 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnn(Cc2ccccc2Cl)c1 27156107 VIOKBFZSTCCODV-UHFFFAOYSA-N 424.932 3.694 10 40 HHCB CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccccc1OCC(=O)O 100147727 ANIYWSHFAAXLBD-CXUHLZMHSA-N 404.344 3.975 10 40 HHCB CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 100799177 DGHHDANZEPTKRU-ZRBLBEILSA-N 413.477 3.804 10 40 HHCB O=C(NN1C(=O)/C(=C/c2ccco2)SC1=S)c1ccc(Br)cc1 1811439 FANSLGGBAXLDJW-WQLSENKSSA-N 409.286 3.588 10 40 HHCB Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(N3CCCCC3)cc2)C1=O 27570985 POAAWRHAHUOPDV-QNGOZBTKSA-N 418.497 3.517 10 40 HHCB O=C(CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2)Nc1nccs1 604418528 KXYRFPRPCARMBP-UHFFFAOYSA-N 401.447 3.698 10 40 HHCB biogenic COc1ccc2[nH]cc(/C=C3\SC(=S)N([C@H](CCSC)C(=O)O)C3=O)c2c1 9576480 DFIBZFBWXLUPLY-UMJDEASPSA-N 422.553 3.584 10 40 HHCB COc1ccc(N2CCN(CC(=O)c3c(C)n(C)c4ccc(OC)cc34)CC2)cc1 36006143 WYMPVWNBHNYEBE-UHFFFAOYSA-N 407.514 3.509 10 40 HHCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 83313389 ZWFMNSIMMWZUKU-XDHOZWIPSA-N 420.396 3.660 10 40 HHCB O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccccc1O 408897075 QMNCDNAWMVCZLY-XSFVSMFZSA-N 414.417 3.638 10 40 HHCB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O 409247834 OFUNQZVQIAIENN-FMIVXFBMSA-N 407.278 3.833 10 40 HHCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3COc4ccccc4O3)c2C)cc1 6546642 JRUCDGBNKLOONR-QHCPKHFHSA-N 405.450 3.968 10 40 HHCB O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2c(O)ccc3ccccc23)CC1 14244863 PXZOPNLJBUOOSL-UHFFFAOYSA-N 422.959 3.767 10 40 HHCB Cc1ccc(/N=N\c2c(O)ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1 104366762 GZXCWYAKEMPOQS-HNENSFHCSA-N 422.440 3.763 10 40 HHCB CCCOc1ccc(/C=C2\C(=O)N(CCOC)C(C)=C2C(=O)OCC)cc1OCC 408893794 NEVODPABCRZICI-JXAWBTAJSA-N 417.502 3.583 10 40 HHCB CC(C)N(C(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O)C(C)C 409219957 WVWJBWAQMWTQEF-UYRXBGFRSA-N 415.559 3.969 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)cc1OCC 409237445 ISYGPWNGWZDAFD-DTQAZKPQSA-N 424.453 3.549 10 40 HHCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)c1 5874657 BHXDECPTQGAPTE-RCCKNPSSSA-N 419.481 3.742 10 40 HHCB C[C@@H](OC(=O)/C=C/c1ccco1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 8231428 CUKIATURLOPKNW-GCZGRYASSA-N 415.401 3.639 10 40 HHCB CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CCN(Cc2ccc(N3CCCC3)cc2)C1 19739103 MXUPMDHGKVDKJJ-DEOSSOPVSA-N 410.562 3.579 10 40 HHCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3/SC(=S)N(CC(=O)O)C3=O)cc21 208464541 YASGPSNSHMZAKV-LZYBPNLTSA-N 402.541 3.913 10 40 HHCB O=C1N=C(Nc2ccccc2)S/C1=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1 208675500 KXJHLWUUYPDHGI-AQTBWJFISA-N 410.455 3.514 10 40 HHCB COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 408870532 WJOWJZFVTWBKLG-VIZOYTHASA-N 405.237 3.977 10 40 HHCB CCOc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(Br)c1O 680631 LVOYQNAYSGJPGB-UHFFFAOYSA-N 411.248 3.697 10 40 HHCB CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1 1416578 LKGCBVZDANBDQN-SFQUDFHCSA-N 414.508 3.640 10 40 HHCB COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(C)cc3)c3ccco3)CC2)cc1 56946271 LZGPWCWRCDURLP-QHCPKHFHSA-N 419.525 3.890 10 40 HHCB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)NC2=S)cc1 102912785 VLCAGSRLDBUBLB-QNGOZBTKSA-N 407.539 3.909 10 40 HHCB CC(C)Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl 408879244 BPGUBZAPICYWJE-GDNBJRDFSA-N 400.887 3.959 10 40 HHCB CCN1C(=O)C(=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C(=O)N(CC)C1=S 409210423 JUUYVOCIJSVDJO-UHFFFAOYSA-N 413.455 3.542 10 40 HHCB C[C@@]1(O)CCN(Cc2ccccc2O)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 514289822 IFDVNDJFNRWLKO-WPFOTENUSA-N 422.550 3.950 10 40 HHCB biogenic,in-vitro COc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 2960917 TVPHQQUKLVUFRM-AQTBWJFISA-N 401.509 3.984 10 40 HHCB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 5614299 QZFDUBVGEBSMHL-KWPCUBQOSA-N 405.450 3.907 10 40 HHCB O=C1/C(=C\c2ccccc2)N=C(c2ccccc2)N1c1ccc(S(=O)(=O)O)cc1 5946187 MQOLMLLXZIVPEV-HMMYKYKNSA-N 404.447 3.768 10 40 HHCB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(OC)c1O 14415045 YAOBSHCKOHQQBD-CYVLTUHYSA-N 407.466 3.706 10 40 HHCB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/Nc1ccccc1S 101513267 LAHUPCLPEAIUKU-FMIVXFBMSA-N 407.373 3.573 10 40 HHCB COc1ccccc1OCCOc1ccccc1/C=C1\SC(=S)N(C)C1=O 2959555 PMIRNFPWPXIJTA-AQTBWJFISA-N 401.509 3.984 10 40 HHCB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 14415062 QXEXYULIXWDWIK-HKWRFOASSA-N 405.450 3.690 10 40 HHCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O)N1CCCCCC1 33722993 NQWYCSMJSFVTAE-CYVLTUHYSA-N 413.543 3.726 10 40 HHCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)nc1 408961811 OAMUDKAKCZKNAR-YBFXNURJSA-N 418.428 3.603 10 40 HHCB O=C1NC(=S)S/C1=C\c1cc([N+](=O)[O-])ccc1OCCOc1ccccc1 4590106 GICHZRQIKUVWJC-WJDWOHSUSA-N 402.453 3.541 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCCOc1ccccc1 4812489 RAIVONBTQIWTTG-FXBPSFAMSA-N 400.434 3.606 10 40 HHCB CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc([N+](=O)[O-])ccc4C)c3C)C(=O)N=C2S1 33334996 KFGZNTWJYWJINU-UZAWYRGQSA-N 422.470 3.950 10 40 HHCB COC(=O)Cn1c(-c2ccc(C)cc2)cnc1SCC(=O)N1CCc2ccccc21 44085958 UBIAPVRMGRLKCW-UHFFFAOYSA-N 421.522 3.713 10 40 HHCB C[C@H](NC(=O)c1c[nH]c(=S)n1-c1ccccc1)c1ccc(N2CCOCC2)cc1 65476820 QPISGSYTUISCKR-INIZCTEOSA-N 408.527 3.862 10 40 HHCB CC1(C)[C@H]2CC[C@@]1(C)[C@H](N/C=C1/C(=O)NC(=O)N(c3ccc(Cl)cc3)C1=O)C2 101247447 RWBUMSZPGMQAES-WQZSOVHFSA-N 401.894 3.611 10 40 HHCB CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(=O)OC)C1 169619758 XXEHSBZPOHEQAK-POPZOMSYSA-N 403.500 3.511 10 40 HHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2O[C@H](C)CC)C1=O 409235524 BZEOQSKNRMFAHK-PWVLXBNSSA-N 408.454 3.929 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccn4)c3C)C(=O)NC2=S)cc1 409236245 FMVMXTRESNDELG-CPNJWEJPSA-N 416.506 3.629 10 40 HHCB COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1NC(C)=O 7052457 VEWTZVSZSHHQCW-UHFFFAOYSA-N 403.485 3.578 10 40 HHCB Cc1cc(C(=O)COC(=O)CN2CCSC2=O)c(C)n1-c1ccc(F)c(Cl)c1 8720554 AOISCYINPBXKAZ-UHFFFAOYSA-N 424.881 3.781 10 40 HHCB O=C(NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(Cl)nc1 8915126 FWWUZCCFSWYRRQ-UHFFFAOYSA-N 421.865 3.637 10 40 HHCB COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)C(C)C)CC2)cc1 97546844 KYPZNYQKXAMDOM-UTKZUKDTSA-N 401.576 3.781 10 40 HHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1 408965962 KLSLAGXACYYUGS-JLHYYAGUSA-N 421.881 3.750 10 40 HHCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1c[nH]c2ccccc12 904383 XHDBXRGIKGMDBT-DHDCSXOGSA-N 410.227 3.597 10 40 HHCB O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1Cc1ccccc1 5192097 OTLGDTXZIFWOAM-APSNUPSMSA-N 400.437 3.725 10 40 HHCB O=C(CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 10434321 JVYFZMMKHBBJPY-DHDCSXOGSA-N 417.443 3.574 10 40 HHCB Cc1cc(/C=C2/C(=O)N=C(O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(O)cc1 13811578 IFCFYMFEOAVGTK-BKUYFWCQSA-N 415.449 3.666 10 40 HHCB COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)O 16196172 UFZGKGZGKBXPJC-YVLHZVERSA-N 415.492 3.560 10 40 HHCB Cc1cc(N2CCCCC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225955990 FETYVZUBIJSTMS-UHFFFAOYSA-N 410.591 3.862 10 40 HHCB COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1 1247515 PBJXRSZZFWDKOJ-IUXPMGMMSA-N 401.465 3.838 10 40 HHCB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 5373874 JOEKMCMKTOQUPK-IUKMRGAGSA-N 404.307 3.743 10 40 HHCB N=C1/C(=C/c2coc3ccccc3c2=O)C(=O)N=C2SC(C3CCCCC3)=NN12 41076373 FFAAQHKSQONOCJ-HUHIGAQKSA-N 406.467 3.992 10 40 HHCB CC(C)N1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 101268051 JRJLYCYGHKJFHH-HSALFYBXSA-N 413.905 3.661 10 40 HHCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCC3)cc2)C1=O 409212562 NBHOPBKDEULOGG-GHRIWEEISA-N 409.873 3.915 10 40 HHCB Cc1cc(C)cc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 6887069 JYLKUZYQRPPXSD-UHFFFAOYSA-N 413.429 3.874 10 40 HHCB COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3O)=NN2)c(OC)c1 12389941 IUFOXFHKKNKDGZ-INIZCTEOSA-N 408.454 3.880 10 40 HHCB Cc1cccc(N2CCN(CN3C(=O)/C(=C\c4ccccc4)SC3=S)CC2)c1 20065296 YGRLWSPJCRHZNC-HMMYKYKNSA-N 409.580 3.976 10 40 HHCB COc1cc(OC)c(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c(OC)c1 33319633 XRPJCUSVAHJIOV-XNTDXEJSSA-N 416.817 3.873 10 40 HHCB Cc1ccc(C)c(N2C(=O)N=C(O)/C(=C/c3ccc(N(C)C)c([N+](=O)[O-])c3)C2=O)c1 8914032 YDPNDYAFPIKCKK-GDNBJRDFSA-N 408.414 3.784 10 40 HHCB Cc1cc(C(=O)CSc2nnnn2Cc2ccco2)c(C)n1-c1ccccc1F 11307815 VBCDPNBXVKDBKS-UHFFFAOYSA-N 411.462 3.836 10 40 HHCB COC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)ccc1Cl 16194062 LKGCZRGNKQYAJG-ATVHPVEESA-N 422.824 3.848 10 40 HHCB Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)CO4)c(C)s2)cc1 19796464 CCKFRZWNVCJBAN-UHFFFAOYSA-N 415.496 3.559 10 40 HHCB C[C@@H](C(=O)Nc1cccc(C(=O)O)c1)N1C(=O)/C(=C\c2cccs2)SC1=S 62825007 QZAPNTGPYHULRL-RSYJBZMQSA-N 418.521 3.675 10 40 HHCB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccccn1 108246215 TXRQXLGHRRIEST-AQTBWJFISA-N 424.526 3.538 10 40 HHCB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(C(=O)O)c1 1798891 IITYTQXOHMKKQJ-UVTDQMKNSA-N 418.521 3.676 10 40 HHCB Cc1ccc2ccccc2c1COc1ccccc1C=C1C(=O)NC(=S)NC1=O 408868947 OKYCYYBYMKGMPR-UHFFFAOYSA-N 402.475 3.642 10 40 HHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)cc3OCC)C2=O)cc1 408898360 LRBBXXJNPOVSKA-UYRXBGFRSA-N 424.453 3.549 10 40 HHCB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C(=O)OC)c2C)C1=O 409138806 IFLNLPYDSRXGCP-LDADJPATSA-N 414.483 3.563 10 40 HHCB COc1ccc(-n2nnnc2COc2ccc(NC(=O)c3ccccc3)cc2)cc1 9050689 CZSYIFFWWILSTK-UHFFFAOYSA-N 401.426 3.502 10 40 HHCB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)OC[C@@H]1CC1(Cl)Cl)c2[N+](=O)[O-] 12895231 SVWIGLSEIARTOF-VIFPVBQESA-N 420.204 3.721 10 40 HHCB COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 20529013 GLFIXSKDFBBCCX-UHFFFAOYSA-N 423.425 3.952 10 40 HHCB O=C(O)CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)s2)SC1=S 23078658 MFBZPVMKNARBCZ-NTEUORMPSA-N 420.493 3.999 10 40 HHCB CCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(c2ccc(OC)cc2)CC1 32642908 RRDQVGNPDKMGSF-UHFFFAOYSA-N 420.513 3.759 10 40 HHCB C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)C[C@@H](C)O1 5234431 UIXNUDFWMNUMMU-ZDDMZOBVSA-N 413.455 3.934 10 40 HHCB O=Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1 5552983 WYCMXWBKTQYZIK-DHDCSXOGSA-N 402.884 3.699 10 40 HHCB CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](NC(=O)c1cccs1)c1ccccc1 28495011 MDWSPJJTPPKYQM-OAQYLSRUSA-N 407.539 3.944 10 40 HHCB O=C(NCCO)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 409370352 PHFPULDFDHURHV-UWVAXJGDSA-N 413.315 3.998 10 40 HHCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc(O)c(C(=O)O)c1 16160727 FGXVCOOPQFOUOZ-DHDCSXOGSA-N 416.231 3.571 10 40 HHCB O=C1c2ccccc2N[C@@H](c2cccc(Br)c2O)N1C[C@H]1CCCO1 54681736 XAZFSJNVTDYTDT-KZULUSFZSA-N 403.276 3.900 10 40 HHCB CCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 408809541 HKZCOOUHQPOERP-LFIBNONCSA-N 400.818 3.501 10 40 HHCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(O)c(OC)c3)C(C(=O)OC)=C2C)cc1 408894275 PPAVJQWEWDVLOB-PDGQHHTCSA-N 409.438 3.677 10 40 HHCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cccc(OC)c1OC 408982347 DJAGZASITJAHOX-UYRXBGFRSA-N 407.466 3.885 10 40 HHCB CCN1C(=O)/C(=C\c2ccc(OC)c(O)c2)C(=O)N(c2ccc(Cl)cc2)C1=S 4739249 CXEDAKKISGZNPB-XNTDXEJSSA-N 416.886 3.618 10 40 HHCB CCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3c(C)cccn3c2=O)SC1=S 2256431 JSFUQYWJUVEMAV-GDNBJRDFSA-N 416.572 3.682 10 40 HHCB COc1ccc(N2CCN(c3ncnc4c5cc(OC)ccc5n(C)c34)C[C@@H]2C)cc1 5516524 ZBPSKDUKVXDJFZ-INIZCTEOSA-N 417.513 3.854 10 40 HHCB Cc1cc(C(=O)O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)c(C)n1-c1ccccc1 15811833 WKOKSRUTSKHUTF-QGZVFWFLSA-N 417.465 3.625 10 40 HHCB Cc1cccc(N2NC(=O)/C(=C/c3cccn3-c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 16349486 DSAIFPOMWKECSG-BOPFTXTBSA-N 422.828 3.809 10 40 HHCB O=C(c1cc2ccccc2c(CN2CCc3ccccc3C2)c1O)N1CCOCC1 23907631 PFDFROLZAZNAEY-UHFFFAOYSA-N 402.494 3.576 10 40 HHCB COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(C)c(C)c4)C3=O)o2)cc1 32099485 FUPXTPFHCRWIDW-MOSHPQCFSA-N 416.433 3.811 10 40 HHCB CN(Cc1ccccc1O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 89363618 VPTHFFPLUPFFLR-UHFFFAOYSA-N 420.307 3.655 10 40 HHCB CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)c(C)cc21 223359789 JYLSKSIFXXUEIV-UHFFFAOYSA-N 415.496 3.847 10 40 HHCB COc1ccc(CN(CC(=O)O)C(=O)Cc2ccc3c4ccccc4n(C)c3c2)cc1 257278483 OCLCOQAJLOYIRZ-UHFFFAOYSA-N 416.477 3.996 10 40 HHCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])C(C(=O)OC)=C2C)cc1 408891721 CCDPOPYHEGMZLB-AQTBWJFISA-N 408.410 3.871 10 40 HHCB CCN1C(=O)/C(=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)SC1=S 2197572 LLFILOPDJBXJOK-QINSGFPZSA-N 409.492 3.708 10 40 HHCB O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1nccs1 4746834 XLOBOJLVTIBBHA-RAXLEYEMSA-N 407.517 3.902 10 40 HHCB Cn1cc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)c2ccccc21 5372692 SDZIOFKFUBADQN-RCCKNPSSSA-N 402.523 3.971 10 40 HHCB CCN1C(=O)C(=C/C=C\C=C2\N(C)c3ccccc3C2(C)C)C(=O)N(CC)C1=S 31870950 WUJCGRBBISIKPR-FDABPSIQSA-N 409.555 3.776 10 40 HHCB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O 409361818 QVCYHINMPAISJE-FRKPEAEDSA-N 418.858 3.735 10 40 HHCB COc1ccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)cc1 27533489 BROOMWOADUQPSJ-BKUYFWCQSA-N 401.491 3.873 10 40 HHCB COC(=O)CCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 5555268 GHIVZCZJRULAIJ-XFXZXTDPSA-N 400.319 3.604 10 40 HHCB CCOc1cccc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(C)=C2C(=O)OC)c1O 6964935 WBTLXXJDQDFRLX-AQTBWJFISA-N 409.438 3.677 10 40 HHCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)C1 218402280 DIMZHHPMQDTQSQ-IAGOWNOFSA-N 415.559 3.785 10 40 HHCB COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1C 225838613 UZHOCYQQQJCCSH-MRXNPFEDSA-N 413.543 3.666 10 40 HHCB O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1N1C(=O)c2ccccc2C1=O 1387679 DLIBAKYMDCDGJV-ZROIWOOFSA-N 400.868 3.752 10 40 HHCB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccc1C(=O)O 2451725 PUWHBLFXJWGIFD-UVTDQMKNSA-N 418.521 3.676 10 40 HHCB COc1ccc(N2CCN(c3nc(-c4ccccc4)c(CC(=O)O)s3)CC2)cc1 4052534 ANDDADRRZBTHAI-UHFFFAOYSA-N 409.511 3.772 10 40 HHCB COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C\c3c(Cl)cccc3Cl)C2=O)c1 13775264 OSDMEWYRXMXCNK-FMIVXFBMSA-N 421.236 3.677 10 40 HHCB COc1cccc(OCCOc2ccc(/C=C3\SC(=S)NC3=O)cc2OC)c1 13942641 IQPCKWNQXISNTF-WQRHYEAKSA-N 417.508 3.650 10 40 HHCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(Cl)c1 4703331 OUFVJJMMTZPWHK-ZROIWOOFSA-N 405.635 3.769 10 40 HHCB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 12999126 GLENCGNLCGKXMK-UHFFFAOYSA-N 416.952 3.810 10 40 HHCB CC(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1 22665782 ZXRKICSMZINUJP-HSZRJFAPSA-N 412.553 3.527 10 40 HHCB O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 37390744 DKGVKDUTYYCHPA-RIYZIHGNSA-N 403.397 3.614 10 40 HHCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccccc1F 41078423 NQWOKRFNHKOVMW-WAPYETIASA-N 421.384 3.504 10 40 HHCB Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(N(C)C)cc4)S3)CC2)c1 12378261 NYBDEGCOSDYZCC-LTGZKZEYSA-N 406.555 3.854 10 40 HHCB CCN1CCN(C2=NC(=O)/C(=C/c3cccc(OCc4ccccc4)c3)S2)CC1 19842405 NRHIENPXMJCCLZ-PGMHBOJBSA-N 407.539 3.873 10 40 HHCB COc1ccc(N2CCN(CCCNC(=O)Cc3ccc4ccccc4c3)CC2)cc1 32764121 WQFXTBVVARORAJ-UHFFFAOYSA-N 417.553 3.719 10 40 HHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1cccc(Cl)c1 409394160 WQBLKLXIDYAZND-YBFXNURJSA-N 420.856 3.809 10 40 HHCB O=C(O)COc1ccccc1/C=C1\SC(=S)N(CCCc2ccccc2)C1=O 6927338 JYPFHJOXJUMTPA-AQTBWJFISA-N 413.520 3.984 10 40 HHCB CCc1ccc(N/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2CC(=O)OC)cc1 17087680 JMYGABHVQMVLEK-JCMHNJIXSA-N 407.470 3.909 10 40 HHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/NC1=CC=C[C@@H]2C(=O)c3ccccc3C(=O)[C@H]12 101125473 IRGZZJWBKWVKPF-ACXWWXGRSA-N 423.472 3.956 10 40 HHCB COc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 103682388 CCKOFBYXPRVBJB-LCYFTJDESA-N 422.293 3.746 10 40 HHCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)C1=O 223471476 ZFYQOFIWAARKBA-VGSSETLESA-N 400.500 3.916 10 40 HHCB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\SC(=S)N(C)C2=O)cc1 4548462 HGGWIBDZHHZAKF-WJDWOHSUSA-N 405.522 3.594 10 40 HHCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(Cl)s2)cc1 7988467 OSIPRUMTLNHLKW-INIZCTEOSA-N 414.980 3.837 10 40 HHCB CC[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC 33914317 WGPXLMVFQWAAHT-GPLLRDDGSA-N 400.862 3.987 10 40 HHCB O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1cccc(O)c1 408935033 GBSUQPZBYZJAPB-KPKJPENVSA-N 410.735 3.731 10 40 HHCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)c1 408964011 FDRZYVCFIYAWHN-CPNJWEJPSA-N 403.413 3.900 10 40 HHCB N=C1/C(=C/c2ccc3c(c2)OCO3)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN12 9303576 GLOYMBPUKMSCSI-NMDPYAAQSA-N 424.869 3.931 10 40 HHCB CCOc1cc(/C=C2/SC(Nc3ccc(OC)cc3OC)=NC2=O)ccc1O 35043463 VIQBQBVCLRDGBT-VCHYOVAHSA-N 400.456 3.891 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1O 408773691 IUBLQLWFYAGQLH-NTUHNPAUSA-N 421.236 3.764 10 40 HHCB CCOc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)O)C3=O)c2C)cc1 409145760 RKHHCRRVXNVEOJ-LICLKQGHSA-N 400.456 3.614 10 40 HHCB CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1csc(-c2ccccc2)n1 7104483 UTZFKUODDSDCQK-UHFFFAOYSA-N 409.511 3.692 10 40 HHCB COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CN2CCC(C)CC2)c1O 7986622 JADJJZMOYWHRCD-GOSISDBHSA-N 413.543 3.872 10 40 HHCB Cc1ccc2c(N)c(C(=O)OCC(=O)c3ccc(Br)cc3)sc2n1 13575262 PAZNFDWPAQLWPB-UHFFFAOYSA-N 405.273 3.989 10 40 HHCB CCCC(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1 23181515 WPYMFTFXUDYVDQ-HTAPYJJXSA-N 401.576 3.925 10 40 HHCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1C[C@@H](C)CC2 100648684 HCYWBISQVXIIPQ-HLNSEHPISA-N 417.527 3.901 10 40 HHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C 223017578 YZASYEPMEJUUJF-YADHBBJMSA-N 421.570 3.811 10 40 HHCB CC(C)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 408605971 ZONJBLJJNGGSQN-YBEGLDIGSA-N 415.287 3.945 10 40 HHCB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 5374789 RAHYODYNQVVTOR-CXUHLZMHSA-N 412.492 3.777 10 40 HHCB COc1ccc(N2C(=O)/C(=C\c3cc(Cl)cc(Cl)c3O)C(=O)NC2=S)cc1 9933371 QUGPNRJRQMTQLW-QPEQYQDCSA-N 423.277 3.539 10 40 HHCB O=S(=O)(c1ccccc1)N1CCN(Cc2cc3c(cc2O)[nH]c2ccccc23)CC1 13165389 JBTQHHOHXLRSIY-UHFFFAOYSA-N 421.522 3.533 10 40 HHCB CCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 33716852 OACMYJYNRMSUBW-JYRVWZFOSA-N 421.678 3.963 10 40 HHCB CCOc1cccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(C)=C2C(=O)OC)c1O 6964916 TYCNTVQPLRKWBS-UYRXBGFRSA-N 407.466 3.972 10 40 HHCB CC[C@@H](C)c1ccccc1OC(=O)CSc1nc(-c2ccco2)nc2cc(=O)[nH]n12 41078207 BIFBVZCYEBTHFL-CYBMUJFWSA-N 424.482 3.889 10 40 HHCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 223672972 HVMXVWKLFQESLA-YADHBBJMSA-N 420.538 3.716 10 40 HHCB CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cccc1OC 408914450 PWKWMMMGPBARIM-HNEYUBDGSA-N 412.417 3.678 10 40 HHCB COc1ccc2c3c(n(CCCn4cccn4)c(=O)c2c1OC)-c1ccccc1C3=O 604404317 CANASEQVBWHIKY-UHFFFAOYSA-N 415.449 3.517 10 40 HHCB biogenic Cc1cc(N2CCCC2)c(F)cc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O 6389934 LMLMHXITHNKPPQ-LICLKQGHSA-N 406.479 3.722 10 40 HHCB CN1/C(=C\C=C2\SC(=S)N(CCCC(=O)O)C2=O)C(C)(C)c2ccccc21 7166557 WJCKMMKGWDUHOL-AXOLISODSA-N 402.541 3.907 10 40 HHCB CN1CCc2cc([C@H](CNC(=O)COc3ccc(Cl)cc3)N3CCCC3)ccc21 8963224 BCOYKUWOXNNSDC-QFIPXVFZSA-N 413.949 3.664 10 40 HHCB Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@@H](C)O4)cs2)cc1 11904362 IKVJERWODQDKBR-GFCCVEGCSA-N 415.496 3.639 10 40 HHCB CCCCc1nc2ccccc2n1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 12520501 VOFAPAQJBCIQEM-UHFFFAOYSA-N 406.530 3.736 10 40 HHCB C[C@H](NC(=O)C1(c2cccc(F)c2)CCOCC1)c1ccc(N2CCOCC2)cc1 19662156 YIUVSPGMSVPQIQ-SFHVURJKSA-N 412.505 3.588 10 40 HHCB COc1ccc(N2CCC(N(CCc3cccc(Cl)c3)CC(=O)O)CC2)cc1 257342967 ZQULNHJQKQMXPF-UHFFFAOYSA-N 402.922 3.947 10 40 HHCB CCN(CC)c1ccc(CN(C)C(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 9932471 GRYHINIYQHXVER-UHFFFAOYSA-N 408.498 3.985 10 40 HHCB COc1ccc(-c2cnc(SCC(=O)Nc3ccc(OC)cc3OC)n2C)cc1 881676 OTFUFCHTHAYFTD-UHFFFAOYSA-N 413.499 3.844 10 40 HHCB COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)O 9188480 ODXDFXCXJHGKCM-YVLHZVERSA-N 415.492 3.873 10 40 HHCB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@H]1/N=N/c1ccc(C(N)=O)cc1 12603881 WGWVQZCRCXPDSF-LRDZBDLTSA-N 404.455 3.784 10 40 HHCB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccc1C(=O)O 408902267 GPBYBYSCFLNQEP-NDENLUEZSA-N 415.474 3.563 10 40 HHCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(C(C)(C)C)c3C)C2=O)c1 409108052 USIJCYOLPSRSPG-XDHOZWIPSA-N 408.502 3.700 10 40 HHCB COCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccco3)cc2)SC1=S 2682716 QRUXWACKLNKTBN-VBKFSLOCSA-N 403.481 3.737 10 40 HHCB O=C(c1ccccn1)N(Cc1ccco1)C1CCN(c2ccc3c(c2)OCO3)CC1 72342408 OFBZNUZLJKARPN-UHFFFAOYSA-N 405.454 3.715 10 40 HHCB COc1cccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cc(C)on3)C2=O)c1 35625122 VCVJOKOIBXSMMG-RVDMUPIBSA-N 417.512 3.612 10 40 HHCB CC[C@@H](C)[C@@H](NCc1c(O)ccc2c(C)c(Cc3ccccc3)c(=O)oc12)C(=O)O 35686309 CNAPTTTXPWTFMW-SPLOXXLWSA-N 409.482 3.987 10 40 HHCB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O 408812756 MIYRIMZMMAORQV-XNTDXEJSSA-N 414.845 3.722 10 40 HHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccccc3F)C2=O)c1 408960552 GULXUKMIPSGNIV-QGOAFFKASA-N 403.413 3.900 10 40 HHCB COc1ccc2ccc(OC)c(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)c2c1 409004103 OBINZRWCPVJLFA-UYRXBGFRSA-N 402.406 3.523 10 40 HHCB CCCN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O 409347788 QWULQGMGOYHDAX-OQLLNIDSSA-N 401.396 3.789 10 40 HHCB Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)o2)cc1 409373338 HDJPZYPIRYRPEA-GZTJUZNOSA-N 408.435 3.994 10 40 HHCB COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc([N+](=O)[O-])c1O 89455611 WPXZTSXIYDOBHO-AUWJEWJLSA-N 406.416 3.854 10 40 HHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OC(C)C 408805641 BICNHGGYIHBYPH-GXDHUFHOSA-N 414.845 3.802 10 40 HHCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1OC 409107682 TVOFMEFWZNEMCZ-PKNBQFBNSA-N 421.236 3.677 10 40 HHCB Cc1cc(O)ccc1/N=N/c1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1 4803984 YZFWSTBMVHBZBC-VHEBQXMUSA-N 422.440 3.763 10 40 HHCB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc2nccnc2c1 9576277 QBZWXRTWTYGYJO-LDADJPATSA-N 420.519 3.860 10 40 HHCB CN(C)c1ccc(/C=C2\SC(N3CCN(c4ccc(F)cc4)CC3)=NC2=O)cc1 13511438 OLSVCQDBDIAWBU-HKWRFOASSA-N 410.518 3.684 10 40 HHCB COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1 33775330 KYBSJISGUABZHL-BOPFTXTBSA-N 415.492 3.653 10 40 HHCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)ccc1O 35648289 UWNHMBPMCGBAIX-LZYBPNLTSA-N 417.464 3.601 10 40 HHCB O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 71824360 JVGCIUUGPIEYQX-MWTRTKDXSA-N 409.507 3.576 10 40 HHCB Cc1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1N1CCCC1=O 225561180 NTKKKKZVZVPKOL-UHFFFAOYSA-N 408.571 3.861 10 40 HHCB COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)SC1=S 409217018 QUUDDKKKXFQUJB-YVLHZVERSA-N 417.483 3.779 10 40 HHCB CCN1C(=O)/C(=C\c2ccc(OC)c(I)c2)SC1=S 409342360 BUJMAZJALGEKTF-YRNVUSSQSA-N 405.282 3.521 10 40 HHCB Cc1cc(C(=O)[C@H](C)Sc2nnnn2C)c(C)n1-c1ccc(OC(F)F)cc1 3278831 ZHVAFJYGWRGGCH-LBPRGKRZSA-N 407.446 3.583 10 40 HHCB CCOc1cccc2ccc(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)nc12 6660287 HREKRGTUCVMFJF-PTNGSMBKSA-N 402.497 3.700 10 40 HHCB CCCCCCN1C(=O)N=C(O)/C(=C/NC2CCN(Cc3ccccc3)CC2)C1=O 19949840 MLVMSAHZSBXQGQ-SILNSSARSA-N 412.534 3.624 10 40 HHCB CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 409050086 YRGWRQXNNBURAN-RIYZIHGNSA-N 421.236 3.764 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 12554922 ISDKSUAYNUEUPW-UHFFFAOYSA-N 415.342 3.651 10 40 HHCB CC(C)=C[C@@H]1[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)C1(C)C 27662887 LFUJDIBEYVPDBD-HBMCJLEFSA-N 418.603 3.507 10 40 HHCB O=C1NC(=O)C(=Cc2c(OCc3cccc(Cl)c3)ccc3ccccc23)C(=O)N1 408808991 GPRAQOJMRWEXTN-UHFFFAOYSA-N 406.825 3.822 10 40 HHCB COc1cc(/C=C2\SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)ccc1O 2702134 RPSOGLMPNJYZCH-YVLHZVERSA-N 400.481 3.765 10 40 HHCB Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2N)c(C)n1-c1ccccc1F 3393296 JMFXUSOZHOFMCQ-UHFFFAOYSA-N 422.489 3.576 10 40 HHCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc([N+](=O)[O-])cc1 5234700 ZHMGWEQLZCKVKX-AQTBWJFISA-N 412.446 3.526 10 40 HHCB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)n1-c1ccc(F)c(Cl)c1 7181280 KZTNXTVNRBVTEK-UHFFFAOYSA-N 403.797 3.839 10 40 HHCB CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1ccccc1O)N2 15830047 FINXACAXHMFTJR-SFHVURJKSA-N 409.486 3.570 10 40 HHCB COc1ccc(N2CCN(c3nc(Nc4ccc(F)cc4)c4cn[nH]c4n3)CC2)cc1 23135914 HYBSTNIXCXMFHO-UHFFFAOYSA-N 419.464 3.571 10 40 HHCB CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(CNC(C)=O)cc3)n2)cc1 28249171 QIAJVINFWQJVGW-UHFFFAOYSA-N 415.540 3.809 10 40 HHCB CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O 408802111 DBHBFWDNSSZISD-LDADJPATSA-N 408.454 3.767 10 40 HHCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl 409201823 OCGIOKCVHIQVSH-NTUHNPAUSA-N 406.181 3.568 10 40 HHCB COc1ccc(OC)c(N2C[C@@](O)(c3ccc(Cl)cc3)[N+]3=C2SCCC3)c1 2965880 RXQDWQYKBHPFOA-HXUWFJFHSA-N 405.927 3.528 10 40 HHCB CCc1ccc(N2NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1 4656192 PNAYHTGDQDTYEQ-UYRXBGFRSA-N 402.406 3.669 10 40 HHCB COc1cc(/C=C2/C(=O)N(c3nc4ccccc4s3)N=C2C)cc([N+](=O)[O-])c1O 4905301 NWDHCCNTWYMZIL-KPKJPENVSA-N 410.411 3.725 10 40 HHCB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c1C 5489503 WCFGMTXQMLSWHH-CDUDSOLESA-N 408.443 3.560 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)c(OC)c1 8753578 CTSOEWGWMBLTBK-APSNUPSMSA-N 417.464 3.513 10 40 HHCB CN1CCCc2cc([C@@H](CNC(=O)c3ccc4c(c3)OCO4)N3CCCCC3)ccc21 9137912 GWFGAOPICZRUJZ-JOCHJYFZSA-N 421.541 3.755 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc(Br)cc1 34794724 NMPHDEOAHPYGOD-AQTBWJFISA-N 408.255 3.701 10 40 HHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C 223017051 RGVLXJWGORLHGT-YADHBBJMSA-N 421.570 3.811 10 40 HHCB CCN1C(=O)/C(=C/c2cn(CC(=O)NC3CCCC3)c3ccccc23)SC1=S 409130163 LXETWAMFLKEVFA-WQRHYEAKSA-N 413.568 3.921 10 40 HHCB CCOc1ccc(Cl)cc1/C=C1/C(=O)NN(c2cccc(Br)c2)C1=O 4178861 SCORMNLQQNQPCR-DHDCSXOGSA-N 421.678 3.963 10 40 HHCB COc1cc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc(OC)c1OC 5345765 XPVITIYTQPWIRO-UHFFFAOYSA-N 409.438 3.664 10 40 HHCB COc1ccc(C(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 6428136 SXUNPMGEAXZQNB-UHFFFAOYSA-N 400.386 3.510 10 40 HHCB CCOc1cc(N(CC)CC)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 12411690 QWKAYOZMWXROHL-XMHGGMMESA-N 407.470 3.598 10 40 HHCB CN(CC(=O)N(C)Cc1ccc2c(c1)OCCO2)Cc1ccc(N2CCCCC2)cc1 12597599 VARBEDFSGBBMKN-UHFFFAOYSA-N 423.557 3.539 10 40 HHCB CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 17822446 DGHHDANZEPTKRU-VJBWXMMDSA-N 413.477 3.804 10 40 HHCB C[C@@H]1CCc2cc(CN3C[C@@H](c4ccccn4)[C@@]4(CCCCC(=O)N4)C3)ccc2N1C 19497225 KUWOGUCJPVTOQC-BORKOYIJSA-N 418.585 3.881 10 40 HHCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nc(C)cs3)C2=O)cc1 1181747 DXRWEMDRLHBETA-NTEUORMPSA-N 403.554 3.990 10 40 HHCB CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](NC(=O)c1cccs1)c1ccccc1 28495008 MDWSPJJTPPKYQM-NRFANRHFSA-N 407.539 3.944 10 40 HHCB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(F)c1 35387816 HSQMUJPWMYEHRY-ZHZULCJRSA-N 418.424 3.875 10 40 HHCB O=C(C1=CN(c2ccc3c(c2)CCC3)c2ccccc2S1(=O)=O)N1CCCCC1 44169785 CXHWTLQLVXJBEM-UHFFFAOYSA-N 408.523 3.955 10 40 HHCB COCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 409129859 VDTRTDUHIWKSAP-DHDCSXOGSA-N 407.831 3.981 10 40 HHCB COc1ccc(-n2nnnc2CC2N(c3ccccc3)CCN2c2ccccc2)cc1 5210870 RJFZYAIKMGPMTC-UHFFFAOYSA-N 412.497 3.566 10 40 HHCB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(N(C)C)cc2)n2ncnc2N1 9529676 GPTWLABAXMSRFN-IBGZPJMESA-N 408.893 3.925 10 40 HHCB Cc1cc(/C=C/C(=O)N2CCN(Cc3ccncc3)CC2)c(C)n1-c1ccccc1 23846779 BQPMSRVRCWEQIF-CMDGGOBGSA-N 400.526 3.847 10 40 HHCB O=C(NN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S)c1ccccc1Cl 27533883 FJBRGFRNOVFDBP-NTEUORMPSA-N 414.899 3.763 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(OC(C)C)c1 408802170 XJSOGFKFLAXFDS-RQZCQDPDSA-N 414.845 3.802 10 40 HHCB O=C(Cc1cccc2ccccc12)NN1C(=O)/C(=C\c2cccnc2)SC1=S 5523853 SEQRGEPIKUAELY-WOJGMQOQSA-N 405.504 3.710 10 40 HHCB CCN1CCN(Cc2c(O)ccc3oc(C)c(C(=O)NCc4ccccc4)c23)CC1 19794031 IOYKQKUGARGIAL-UHFFFAOYSA-N 407.514 3.514 10 40 HHCB COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1 5260067 FOAWJDISHPCSHG-UHFFFAOYSA-N 412.423 3.635 10 40 HHCB CCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)[C@@H](C)CC)C2=O)cc1OC 5373717 ONNTXQSECPYIES-UOZYYELFSA-N 409.529 3.794 10 40 HHCB COc1ccc(NC2=NC(=O)/C(=C/c3ccc(OC)c(OC)c3)S2)c(OC)c1 5376476 IFZSDOLHBSNOBY-ZDLGFXPLSA-N 400.456 3.803 10 40 HHCB O=C1C(=Cc2ccc(O)cc2O)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 408721349 PSZLTUYNIXEYOL-UHFFFAOYSA-N 416.458 3.846 10 40 HHCB CCCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl 408881449 MGTVWMKKSIPDHO-PTNGSMBKSA-N 400.887 3.960 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 1154534 SHMZNOXQGMYZKM-LFIBNONCSA-N 408.801 3.500 10 40 HHCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 3555452 GYNRDLSPAYCUEF-UHFFFAOYSA-N 423.296 3.508 10 40 HHCB CC(=O)Nc1ccc(N2C(=O)/C(=C\c3nc4ccccc4n3C)SC2=S)cc1 5235992 CIUNZXCSBVBDBU-GZTJUZNOSA-N 408.508 3.938 10 40 HHCB CCOC(=O)[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(Br)cc3)S2)C1 9188894 SCCOYKHYCUMVTA-NWFCWYBLSA-N 423.332 3.695 10 40 HHCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1 107932080 GSOJFOQCVUJWLQ-XDHOZWIPSA-N 420.396 3.660 10 40 HHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 408787214 UZJGLLKNJFCUAV-LFIBNONCSA-N 414.845 3.804 10 40 HHCB CCn1cc(/C=C2\C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)c2ccccc21 9264993 IBMWXWYTCIQTPI-HMMYKYKNSA-N 417.465 3.686 10 40 HHCB O=C(O)CN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC1=S 9296618 HAMXKLVFKPINFK-AWNIVKPZSA-N 424.843 3.794 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(OC)c1 13619029 NBAJQCJAQPLADZ-IDUWFGFVSA-N 401.465 3.838 10 40 HHCB CCN(CC)c1ccc(CN2CCC3(CC2)NC(=O)c2ccccc2O3)c(OC)c1 19526495 XHZHNRYJEVAROU-UHFFFAOYSA-N 409.530 3.656 10 40 HHCB COc1ccc(N2CCN(CC(=O)c3c(C)[nH]c4ccc(OC)cc34)C[C@H]2C)cc1 34828800 VMGWIRHCVADYMU-MRXNPFEDSA-N 407.514 3.887 10 40 HHCB COc1ccc(-n2c(C)cc(C(=O)N3CCN(c4ccc(O)cc4)CC3)c2C)cc1 96968180 LVNRZXZOXKYAJY-UHFFFAOYSA-N 405.498 3.771 10 40 HHCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 101148749 FMTLOTLKLXBCHK-NTEUORMPSA-N 401.766 3.875 10 40 HHCB O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1ccccc1O 408773193 TYLIHDRTRPUFGM-YRNVUSSQSA-N 410.735 3.731 10 40 HHCB COCCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)C(C(=O)OC)=C1C 408977639 WZTNXGXQTGXANT-HKWRFOASSA-N 407.466 3.585 10 40 HHCB CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccccc2O)NC(=S)N1 823198 LSHLQSVDQIBVBD-INIZCTEOSA-N 418.316 3.586 10 40 HHCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 5465365 RYPGVJDMFVLWKM-JWGURIENSA-N 420.509 3.677 10 40 HHCB CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C)nc2onc(C)c12 72304696 ZHRWTPYWYHOLJV-UHFFFAOYSA-N 404.264 3.970 10 40 HHCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(C(C)(C)C)c3C)C(=O)NC2=S)cc1 409013967 OFGDRHPHBGEWLB-LDADJPATSA-N 411.527 3.700 10 40 HHCB CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1C 409241339 RIRCPQXSHQWLKM-CXUHLZMHSA-N 421.444 3.975 10 40 HHCB O=S(=O)(Nc1ccc(O)c(Br)c1)c1ccc(Br)cc1 3074066 NJGUQVYYJKTSTP-UHFFFAOYSA-N 407.083 3.718 10 40 HHCB CC(C)Oc1ccccc1/C=C1/C(=O)NN(c2cccc(Br)c2)C1=O 5381422 GAMNHAZTEFCMOC-YBEGLDIGSA-N 401.260 3.698 10 40 HHCB COc1ccc(N2CCN(C(=O)Cc3cnc(-c4ccccc4F)s3)CC2)cc1 12325003 RYKGGRMPRIFVPH-UHFFFAOYSA-N 411.502 3.849 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 409409405 VBLVRMVNFIDTFL-STZFKDTASA-N 415.405 3.635 10 40 HHCB CCCCc1cc(=O)oc2c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(O)ccc12 524729661 CLZROTDGFBWIRR-AEFFLSMTSA-N 420.509 3.622 10 40 HHCB biogenic COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(OC)c1O 7209147 LQCRHKAWFAKQRP-BOPFTXTBSA-N 416.524 3.881 10 40 HHCB O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc12 13477240 BEGFRCPLVIVCPH-BOPFTXTBSA-N 409.239 3.769 10 40 HHCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(Br)s1 14099565 PVVDGBJNMGZPOK-UHFFFAOYSA-N 403.367 3.787 10 40 HHCB Oc1cc2c(cc1CN1CCN(c3ncc(C(F)(F)F)cc3Cl)CC1)OCO2 27492356 SAQBRMXZYFMDAL-UHFFFAOYSA-N 415.799 3.510 10 40 HHCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 6477751 ZEPUOJSQTHBYFX-UHFFFAOYSA-N 414.914 3.826 10 40 HHCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C(=O)NC1=S 6630133 LTPKMQUEZKBVSV-CPNJWEJPSA-N 403.507 3.894 10 40 HHCB COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)nn3C)CC2)cc1 72404033 NKTKTRVJKXHOQX-UHFFFAOYSA-N 410.905 3.712 10 40 HHCB Cc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] 223697549 NGWRZQKKSBEJGP-OAHLLOKOSA-N 403.504 3.618 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(C)C 408811660 OCKWQANHDFTSAX-SFQUDFHCSA-N 408.454 3.847 10 40 HHCB COc1cc(Cl)c(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1OC 409136673 SRGWPZMGXNNDRZ-SXGWCWSVSA-N 402.859 3.758 10 40 HHCB CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCOCC1 222608769 MCGRRMQFZFSDBN-SSKFGXFMSA-N 424.570 3.906 10 40 HHCB CCOc1ccc(Br)cc1/C=C1\C(=O)NN(c2ccc(Cl)cc2)C1=O 847537 MHTPQYOARNKFMK-XNTDXEJSSA-N 421.678 3.963 10 40 HHCB O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccc(O)c1 1172823 VLDJMMRVKOZZOB-NVNXTCNLSA-N 404.900 3.886 10 40 HHCB CN1CCc2cc([C@@H](CNC(=O)c3cccc4ccccc34)N3CCOCC3)ccc21 22733482 VDSIZJBAXACNAQ-RUZDIDTESA-N 415.537 3.635 10 40 HHCB Cc1ccc(NC2=NC(=O)/C(=C/c3cn(CC(N)=O)c4ccccc34)S2)cc1C 33741850 XLQVQXGEPCIISN-GRSHGNNSSA-N 404.495 3.826 10 40 HHCB CCOC(=O)c1cccc(NC(=S)NCCN(C)c2ccc(OC)cc2)c1C 225798758 OLTZRFQSWLCSBH-UHFFFAOYSA-N 401.532 3.603 10 40 HHCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OC 408804110 VXKIODRAOFWBTK-RIYZIHGNSA-N 414.845 3.640 10 40 HHCB CCN1CCN(Cc2ccccc2O)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 1848354137 NHFSRMKVZNDKOW-QHCPKHFHSA-N 415.537 3.977 10 40 HHCB CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(O[C@H](C)C(=O)O)cc3)C2=O)cc1 8770390 UNLLRSTZQFSXME-FDIDITGRSA-N 408.410 3.608 10 40 HHCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 9323843 OMGGGFKKPSAWGL-UDWIEESQSA-N 420.396 3.660 10 40 HHCB COc1ccc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1OC 27549207 XZOCKDQBDLOYAL-LQFYYXEQSA-N 406.467 3.566 10 40 HHCB COc1ccc(C)cc1NS(=O)(=O)C1=CC=C[C@H]2C(=O)c3ccccc3C(=O)[C@@H]12 96319585 UYUSBWDDRMSMIY-OXQOHEQNSA-N 409.463 3.511 10 40 HHCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)o1 408960277 KPBBGAKRVHMPQA-LDADJPATSA-N 416.389 3.620 10 40 HHCB Cc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1-c1cccc(Cl)c1 24634066 WWIJQYQUBRICSB-UHFFFAOYSA-N 424.932 3.943 10 40 HHCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)cc3OC)C2=O)cc1 408899670 PTICCNNVODWXKJ-UYRXBGFRSA-N 424.453 3.549 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(OCC)c1 409147123 VDZVIXWASGTRRX-LDADJPATSA-N 424.522 3.932 10 40 HHCB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 4502449 HNTCXVBLNRGWHP-LFIBNONCSA-N 409.785 3.970 10 40 HHCB O=C(O)c1cc(/C=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)nc2ccccc12 5930004 XTQXGOUUEHMOIF-FNORWQNLSA-N 405.410 3.848 10 40 HHCB CC(=O)c1cc2c(cc1NC(=O)CSc1nc3cc(Cl)ccc3[nH]1)OCO2 8566201 FFBFMKJDYXEJLT-UHFFFAOYSA-N 403.847 3.878 10 40 HHCB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1cccc([N+](=O)[O-])c1)c2[N+](=O)[O-] 8856561 QFUKNTIBRNCWSW-UHFFFAOYSA-N 417.333 3.531 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 17293509 RQALKWNGORHDSZ-WJDWOHSUSA-N 408.797 3.760 10 40 HHCB CN1CCCc2cc([C@@H](CNS(=O)(=O)c3cccc4ccccc34)N(C)C)ccc21 8798895 YHADBJLEJJKGFP-HSZRJFAPSA-N 423.582 3.803 10 40 HHCB COc1cccc(/C=C2\SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)c1OC 13121990 FWZXAFVNVQVFNB-QZFKAFNDSA-N 415.492 3.731 10 40 HHCB CN(C)c1ccc([C@@H](CNC(=O)c2ccc3ccccc3c2)N2CCOCC2)cc1 22664856 LBNAZPFXBZWTJI-XMMPIXPASA-N 403.526 3.709 10 40 HHCB CN1CCN(c2ccc(CNC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1 218980119 IJXZYKBZIQUTOZ-UHFFFAOYSA-N 415.537 3.947 10 40 HHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(C(=O)O)c1 222742534 CZLYUQVQOBKOEY-PMACEKPBSA-N 406.511 3.790 10 40 HHCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)C(C(=O)OC)=C2C)cc1 408893886 OBPWFVCYCIQGTH-MOSHPQCFSA-N 423.465 3.980 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1O 409096315 JNZRLAKFQAQRRB-DHZHZOJOSA-N 421.236 3.764 10 40 HHCB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CC[C@H](C)C2 104148452 SZFXIWSPFITWIU-LTVHRWTQSA-N 403.500 3.511 10 40 HHCB CCN1C(=O)/C(=C\c2cc(C)n(C)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S 409014956 QYECJGDENYNGAU-GZTJUZNOSA-N 401.919 3.859 10 40 HHCB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OCC)c2O)N3)C1 4554826 GBWYURVTVRUBTM-KRWDZBQOSA-N 417.487 3.796 10 40 HHCB CCCCC1=NN2C(=N)/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)N=C2S1 6635041 IEVOJGMWTUBUMN-LIFNGZQPSA-N 402.476 3.522 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC(=O)c1ccc2c(c1)CCC2 16135070 ILYRXYGYHWGTRA-UHFFFAOYSA-N 406.526 3.633 10 40 HHCB Cn1cc(/C=C/C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)cn1 24592900 VZPVZMCZDDFYRM-LRELXJSQSA-N 401.466 3.951 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCCC4)c(C)c3)C2=O)cc1 408894266 BXNMQRKZJRQMEZ-HMMYKYKNSA-N 403.482 3.960 10 40 HHCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)N2CCCCC2)cc1 20244074 RWSJLIVVUUUJFM-CJLVFECKSA-N 403.482 3.884 10 40 HHCB CC1CCN(c2ccc([C@H](C)NC(=O)Cn3ncc4ccccc4c3=O)cc2)CC1 36752301 IXFBNKSQRPIJAS-SFHVURJKSA-N 404.514 3.510 10 40 HHCB CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C(C(=O)OC)=C2C)cc1 408896365 YDNSXPUYYDURKO-UYRXBGFRSA-N 408.410 3.871 10 40 HHCB CCCCOC(=O)c1ccc(-n2c(C)cc([C@H]3NC[C@@H](C(=O)O)S3)c2C)cc1 408978079 KMTWRAGICSCSJW-OALUTQOASA-N 402.516 3.839 10 40 HHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OCC 408775292 GHBSVSMHJWFOBR-QGOAFFKASA-N 408.454 3.849 10 40 HHCB COc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=S)N=C2O)c(OC)c1OC 1296103 PEWLIABXGYWUDH-RVDMUPIBSA-N 412.467 3.692 10 40 HHCB Cc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)c1 109668004 VLNFZECRTBTGSM-LCYFTJDESA-N 403.866 3.840 10 40 HHCB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 219036957 SMCLVJVFOOZGAR-IBGZPJMESA-N 403.526 3.675 10 40 HHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1OC 408800854 PVLJXBHZALZWEX-SFQUDFHCSA-N 408.454 3.767 10 40 HHCB CCc1ccc(N2C(=O)/C(=C/c3ccc(Br)s3)C(=O)NC2=S)cc1 409375340 JHFNAZUXKFSOEV-UKTHLTGXSA-N 421.341 3.904 10 40 HHCB CCc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cc(C)on3)C2=O)cc1 1218400 JWOUQMGCYIWFOC-RVDMUPIBSA-N 401.513 3.775 10 40 HHCB Cc1ccc(-c2cnc(SCC(=O)Nc3ccccc3N3CCOCC3)n2C)cc1 1355641 JCMUEIZHZMEDFW-UHFFFAOYSA-N 422.554 3.963 10 40 HHCB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OC(=O)c1ccc(F)cc1 12411507 ZMFLFEWSTKDMLT-YBEGLDIGSA-N 403.456 3.932 10 40 HHCB COc1cc(N2CCOCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222608009 UQMGUZKDCXJUIC-IWMITWMQSA-N 410.543 3.516 10 40 HHCB COc1ccc(N(C)CCCNC(=O)c2cccc(I)c2)cc1 224967427 MUPJTQQBFDFULP-UHFFFAOYSA-N 424.282 3.556 10 40 HHCB COC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 33313614 LXTFAHBNDNREFA-AUWJEWJLSA-N 421.814 3.508 10 40 HHCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CC[C@@H](C)C2 102345170 KTHFHVLRIZBOIV-BCBCSNLJSA-N 417.527 3.901 10 40 HHCB CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)NC1=S 408917554 XACXKBJWKLIRNZ-RIYZIHGNSA-N 421.305 3.829 10 40 HHCB O=S(=O)(Nc1cc(Br)c(O)c(Br)c1)c1ccccc1 2944707 GQORONPQIJQFDJ-UHFFFAOYSA-N 407.083 3.718 10 40 HHCB COc1cc(/C=C2\SC(Nc3cccc(C)c3)=NC2=O)ccc1O[C@@H](C)C(=O)O 6044710 URGQTGNTKKSFDI-FHNWIRHTSA-N 412.467 3.938 10 40 HHCB Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2ccc(Cl)cc2Cl)C1=O 13769876 OHOZADWVTFRNDC-JYRVWZFOSA-N 412.323 3.878 10 40 HHCB CCc1cccc2c(C3=CCN(c4nc5ccccn5c(=O)c4[N+](=O)[O-])CC3)c[nH]c12 24201564 SLPAVJXCWVFFAJ-UHFFFAOYSA-N 415.453 3.940 10 40 HHCB Cc1cc(C(=O)COC(=O)c2ccccc2NCCO)c(C)n1-c1ccc(F)cc1 6903170 TYPULOMEJMLMSB-UHFFFAOYSA-N 410.445 3.677 10 40 HHCB COc1ccc(-n2c(C)cc(C(=O)OCC(=O)N(C)Cc3ccsc3)c2C)cc1 7082703 NCKZIHDEHNRIKL-UHFFFAOYSA-N 412.511 3.980 10 40 HHCB COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(OC)c1O 9188659 KBRXWQFAUPUFOU-ATVHPVEESA-N 401.509 3.853 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(OCc2cscn2)cc1 9221402 VORJZYKMGFJICP-UHFFFAOYSA-N 423.538 3.831 10 40 HHCB CN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)s2)C(=O)N(C)C1=O 12766766 ANIUNLCVNXWMSA-UHFFFAOYSA-N 405.273 3.611 10 40 HHCB CCn1c(-c2ccc(Br)cc2)cnc1SCCN1C(=O)CCC1=O 31445612 HQUNFLZIRSDGRY-UHFFFAOYSA-N 408.321 3.574 10 40 HHCB CC(=O)Nc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)ccc1O 32815311 CYNXSWWNIXUPGK-UHFFFAOYSA-N 408.785 3.824 10 40 HHCB C[C@H]1CN(c2ccc(CNC(=O)c3c(Cl)nc4ccccn34)cc2F)C[C@@H](C)O1 57376718 LBKZXPJJLLKWTK-OKILXGFUSA-N 416.884 3.670 10 40 HHCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCCc1c(C)[nH]c2ccccc12 100130326 IPURMLYUOIIHQB-DEDYPNTBSA-N 403.442 3.823 10 40 HHCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(OCC)c3)C2=O)cc1 408894172 BLTJNHBMCKGODU-AQTBWJFISA-N 424.453 3.636 10 40 HHCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCCCC4)cc3)C2=O)cc1 4704797 ZQPSJYBGMNXCNQ-RCCKNPSSSA-N 418.497 3.517 10 40 HHCB CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 20139954 ZQXOJBYWDMONNS-JOCHJYFZSA-N 420.561 3.738 10 40 HHCB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1CCC(C(=O)OCC)CC1 2302098 MLGSZZMLJKEGBU-GHVJWSGMSA-N 402.451 3.627 10 40 HHCB Cc1cccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c1 4743338 HLZGLWHZUBSLRK-GDNBJRDFSA-N 401.285 3.589 10 40 HHCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)SC1=S 5371469 DSLUZHGVHUPZTL-YYTPVVGHSA-N 409.529 3.939 10 40 HHCB Nc1c(Cl)cc(S(=O)(=O)Nc2c(F)c(F)c(O)c(F)c2F)cc1Cl 89762073 LURCOPFCJLACKT-UHFFFAOYSA-N 405.156 3.638 10 40 HHCB O=[N+]([O-])c1cnc(Sc2ccnc(Sc3ncc([N+](=O)[O-])s3)n2)s1 2171471 QTCMRBUKHIDZJA-UHFFFAOYSA-N 400.448 3.508 10 40 HHCB CCOc1ccc2[nH]c3c(N4CCN(c5ccc(OC)cc5)CC4)ncnc3c2c1 2416974 RITLRRQHYOWHBL-UHFFFAOYSA-N 403.486 3.845 10 40 HHCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 8405580 WDKPHAMLUJZRCC-UGKGYDQZSA-N 408.498 3.562 10 40 HHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccccc1N1CCCCC1 9349596 DSTHBTXZSZVVRH-SAPNQHFASA-N 424.888 3.909 10 40 HHCB CC(C)(C)OC(=O)CN(Cc1nccn1CC(F)(F)F)c1ccc2c(c1)OCO2 84199731 HBZWIQLAJWWLMH-UHFFFAOYSA-N 413.396 3.522 10 40 HHCB COc1ccccc1NN/C=C1\C(=O)N(c2ccc(Br)c(C)c2)N=C1C 408526687 CBBVZAILTRGJSW-PTNGSMBKSA-N 415.291 3.989 10 40 HHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C2=O)c1 408766383 DBKJXYRHKBBHCG-AWNIVKPZSA-N 405.237 3.982 10 40 HHCB COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1 408871975 IPNDHPABGRFXJD-RIYZIHGNSA-N 405.237 3.977 10 40 HHCB CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cccc1OC 408895911 GBVKJNHMGAAMRN-COYFKBPASA-N 408.454 3.847 10 40 HHCB O=C1NC(=S)NC(=O)C1=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 656824 NZQZWFOBIRVBJQ-UHFFFAOYSA-N 422.893 3.987 10 40 HHCB COc1ccc(OC)c(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)c1 1090162 RNFMKCLNLQOTCG-BOPFTXTBSA-N 414.508 3.558 10 40 HHCB COc1ccccc1N1C(=O)NC(=O)/C(=C\c2c(OC)ccc3ccccc23)C1=O 1192508 KTEMWRPWRGHLIL-GHRIWEEISA-N 402.406 3.523 10 40 HHCB COc1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)c([N+](=O)[O-])c1 9403544 CTWJHBPTYKGETH-UHFFFAOYSA-N 423.425 3.806 10 40 HHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CCN(C(=O)c2cccnc2)CC1 29759473 WNBUTEGQDALIMP-UHFFFAOYSA-N 420.557 3.583 10 40 HHCB COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4)co3)CC2)cc1 56949853 GICNSQIGPBGYQM-UHFFFAOYSA-N 406.482 3.550 10 40 HHCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 409013522 AXWREGZQUYVNSR-JWGURIENSA-N 421.493 3.975 10 40 HHCB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2)C1=O 409105773 KKOOQCKLAPZEJW-LFIBNONCSA-N 400.887 3.878 10 40 HHCB O=C(O)CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 1908602 FNGXWOIGFSRSSD-NTEUORMPSA-N 404.425 3.531 10 40 HHCB COc1ccc(NCN2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 34132313 UFTFDOAUNHLWSJ-MHWRWJLKSA-N 401.469 3.874 10 40 HHCB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C1=O 409135481 RKDRRKZQJFELGC-LDADJPATSA-N 414.483 3.563 10 40 HHCB Cc1cc(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)c(C)n1-c1ccccn1 12089514 IOWHVNABMYAGJG-UHFFFAOYSA-N 412.497 3.605 10 40 HHCB COc1ccc2cc(/C=C3/SC(=S)N(Nc4ccccc4)C3=O)c(=O)[nH]c2c1 13718893 FYRIYXRDEFECGP-LICLKQGHSA-N 409.492 3.765 10 40 HHCB C[C@H]1Cc2cc(/C=C3\SC(N4CCN(Cc5ccccc5)CC4)=NC3=O)ccc2O1 16810431 PGECTNTVYQCOLK-WPGBELRESA-N 419.550 3.798 10 40 HHCB O=C1/C(=C/c2cccc(O)c2)SC(=S)N1/C=C/c1nc2ccccc2[nH]c1=O 16958421 YHEDFHPMMARWFA-JMAVEDQASA-N 407.476 3.501 10 40 HHCB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S 54361176 QSCFCDMEZDKZBI-PBXDPIQXSA-N 421.503 3.527 10 40 HHCB COc1nc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc2ccccc12 65551679 PUTKVQZQDGHFET-HOTGVXAUSA-N 423.488 3.926 10 40 HHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)cc1 408960650 NLLMUPRBXDNGFK-LTGZKZEYSA-N 419.481 3.742 10 40 HHCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1Cl 409003020 YCJCVQKLJNLRTM-UHFFFAOYSA-N 406.269 3.835 10 40 HHCB Cc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(Cc2ccccc2Cl)C1=O 409069759 WHTHMOKUVAPDQI-MOSHPQCFSA-N 411.889 3.578 10 40 HHCB CCOC(=O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OCC 6554172 KXLDMXGELJCXFF-UYRXBGFRSA-N 408.454 3.833 10 40 HHCB COc1ccc(/C=C/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)C(=S)N=C2O)cc1 9944292 HGGGCQJRGWXNOI-FKJKDRHESA-N 408.435 3.621 10 40 HHCB COc1ccc(N2CCN(C(=O)c3ccc(CN4CCC(C)CC4)cc3)CC2)cc1 20047479 IZPUOVLBCCVJEU-UHFFFAOYSA-N 407.558 3.890 10 40 HHCB COc1ccc(N(CCC(N)=O)Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 22242626 RZNOLWRWNGSMMB-UHFFFAOYSA-N 420.391 3.646 10 40 HHCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccc(C)cc1 41078422 DCRVZJKGOWCRJZ-UVYYMYQDSA-N 417.421 3.673 10 40 HHCB CCOCCCN/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1c1ccc(OC)cc1 112291107 LICFQAIFZJPCTA-XLNRJJMWSA-N 423.513 3.745 10 40 HHCB Cc1c(N2C(=O)/C(=C/c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C 1907840 PPBDQKMBFQMYNJ-LGMDPLHJSA-N 407.520 3.890 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 10907271 LZIWNFJMMHPUBR-UHFFFAOYSA-N 416.525 3.859 10 40 HHCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 101150135 HAFNQMAKUFCAFX-MDWZMJQESA-N 417.765 3.581 10 40 HHCB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1NC(=O)c1ccccc1 408621047 KVUMNBJMDZDWSH-UHFFFAOYSA-N 410.451 3.777 10 40 HHCB CCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(CN2CCOCC2)cc1)C3 20566284 PGLROYCHCICQFQ-UHFFFAOYSA-N 406.482 3.544 10 40 HHCB COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)cc1 57548192 WIOVUJGXHJIMSS-FQEVSTJZSA-N 422.573 3.835 10 40 HHCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccccc4)c3C)C2=O)o1 108101633 KNCDMYGGNPPACH-UNOMPAQXSA-N 419.437 3.567 10 40 HHCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C 223043396 UTSYFGCVEUADHF-FGZHOGPDSA-N 421.570 3.893 10 40 HHCB O=C(Nc1ccccc1)c1ccc2c(c1SCCO)C(=O)c1ccccc1C2=O 4452090 XUKQCEHURBLEAG-UHFFFAOYSA-N 403.459 3.799 10 40 HHCB COc1ccc(/C=C2\SC(Nc3ccc(OC)cc3OC)=NC2=O)c(OC)c1 5372598 FWJPYZSXMCSWNU-NVMNQCDNSA-N 400.456 3.803 10 40 HHCB CCOc1ccccc1/C=C1\SC(N2CCN(c3ccc(OC)cc3)CC2)=NC1=O 9188188 JSLBQJZXAPPHEK-PGMHBOJBSA-N 423.538 3.886 10 40 HHCB CC1CCN(S(=O)(=O)c2ccc(N[C@@H](C)c3ccccc3O)c([N+](=O)[O-])c2)CC1 12523205 CKIFHWLOPLKABC-HNNXBMFYSA-N 419.503 3.894 10 40 HHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1O 223618032 PFCOBVJFZIJLIZ-VXKWHMMOSA-N 422.554 3.550 10 40 HHCB CCOc1ccccc1N/C=C1/C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O 408553056 WKZOJYYKWIBXSF-BENRWUELSA-N 419.865 3.622 10 40 HHCB Cc1cc(-n2c(C)cc(/C=C3\NC(=S)N(C)C3=O)c2C)ccc1Br 409129833 SRXROYPEMJXMQY-SXGWCWSVSA-N 404.333 3.852 10 40 HHCB O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)NCCc1c[nH]c2ccccc12 9215882 DETRZEUMHDYJHC-UNOMPAQXSA-N 421.547 3.728 10 40 HHCB COC(=O)c1cc2ccccc2c(CN2CCN(c3ccccc3OC)CC2)c1O 16833960 CKVNGLLRMSYWIV-UHFFFAOYSA-N 406.482 3.663 10 40 HHCB Cc1c(N2C(=O)[C@H](C)S[C@@H]2c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C 19926827 XUWZKKASJSDUSI-QMHKHESXSA-N 422.554 3.718 10 40 HHCB CN1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(F)c(Cl)c3)c(Cl)c2)C1=O 32189233 RMFBKSDFODEATG-WUXMJOGZSA-N 423.227 3.803 10 40 HHCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 408765987 CJCOVIVFVNOCTP-ACAGNQJTSA-N 422.275 3.506 10 40 HHCB CN(C)c1ccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1 13616030 VQXXDNHRQJJNBS-GFWHJHDHSA-N 412.536 3.650 10 40 HHCB Cc1nc(-c2cc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)n(C)c2)cs1 16237043 ORUSIGIOZLWROB-UHFFFAOYSA-N 410.543 3.566 10 40 HHCB CN1CCCc2cc([C@H](CNC(=O)c3cccc(Cl)c3)N3CCOCC3)ccc21 16838336 QDZPGHKFOLRXBO-QFIPXVFZSA-N 413.949 3.526 10 40 HHCB COc1cccc([C@H]2CC(c3ccc(C)c(C)c3)=NC3(CCN(C(C)=O)CC3)N2)c1O 65298316 XGFHQYVSMUMPRR-JOCHJYFZSA-N 421.541 3.880 10 40 HHCB biogenic CSc1ccc(C2=NC3(CCN(C(C)=O)CC3)N[C@@H](c3ccccc3O)C2)cc1 80324949 KZCHNGYVDPQVLD-OAQYLSRUSA-N 409.555 3.976 10 40 HHCB O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\Nc1ccc(F)cc1 98086653 CRQFVJOTSSMULU-WQLSENKSSA-N 410.257 3.876 10 40 HHCB COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC 225838115 QDJVXPBBENZFLN-HNNXBMFYSA-N 401.532 3.588 10 40 HHCB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C/Nc1c(C)nn(C)c1C 408757763 QVNKTFRQOVCAGV-OQLLNIDSSA-N 402.296 3.826 10 40 HHCB CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)C(C(=O)OC)=C1C 409023740 OCZPVAPBFRLZIY-UYRXBGFRSA-N 407.466 3.967 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1OC 13712419 ZGBDIGUQYXBJMC-PXNMLYILSA-N 401.465 3.838 10 40 HHCB O=C(/C=C/c1cc(Br)ccc1F)NCc1ccc(N2CCOCC2)cc1 56198949 IWTJJXHAQMMXBY-FPYGCLRLSA-N 419.294 3.754 10 40 HHCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(O)c(Cl)c3)SC2=S)cc1 108069487 QBQZEVZJQPIEOW-OQLLNIDSSA-N 420.899 3.600 10 40 HHCB Cc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1 408529209 HFUQFBHWYIOLGN-XNTDXEJSSA-N 414.259 3.645 10 40 HHCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(O)c([N+](=O)[O-])c1 408902502 ORFUGMACIGEDLL-NTUHNPAUSA-N 402.204 3.869 10 40 HHCB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 409375974 ROGALSRRXIUSOR-BKUYFWCQSA-N 404.466 3.832 10 40 HHCB CCOc1cccc(/C=C2\C(=O)N(CCc3ccccc3)C(C)=C2C(=O)OC)c1O 6964911 DAFVXILRUYTNEG-CYVLTUHYSA-N 407.466 3.706 10 40 HHCB Cc1cccc(C2(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CCOCC2)c1 19662288 YQAAVLIZEGKJKB-HXUWFJFHSA-N 408.542 3.757 10 40 HHCB CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)C(C(=O)OC)=C2C)cc1 408896694 ZBUKTKMKPMBBDQ-WQRHYEAKSA-N 407.422 3.691 10 40 HHCB Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=S)N(C)C2=O)cc1 408909183 FKSTVHRNNBUGAJ-DEDYPNTBSA-N 416.502 3.984 10 40 HHCB COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1O 408935959 FHVHFVXWPPPQNW-RIYZIHGNSA-N 415.243 3.605 10 40 HHCB Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O 408959810 GFFKBKOOHYLRFS-XMHGGMMESA-N 405.523 3.735 10 40 HHCB Cc1ccc(C2=NN[C@@]3(S2)C(=O)N(CCN2CCCCC2)c2ccccc23)cc1 1442300 RDDXSWFPWFHBKE-QHCPKHFHSA-N 406.555 3.679 10 40 HHCB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S 13691055 MBEYOHPLTVUSAP-ABPVARSCSA-N 407.476 3.657 10 40 HHCB Cc1cc(C(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c(C)n1-c1ccccc1 15811835 WKOKSRUTSKHUTF-KRWDZBQOSA-N 417.465 3.625 10 40 HHCB Cc1c(N2C(=O)[C@@H](C)S[C@H]2c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C 19926824 XUWZKKASJSDUSI-MWTRTKDXSA-N 422.554 3.718 10 40 HHCB COc1cc(/C=C2/SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)ccc1O 35040781 FIXNAXUDUCDXNX-LZYBPNLTSA-N 401.465 3.813 10 40 HHCB COc1ccc2c(/C=C3\SC(=S)N([C@H](CCSC)C(=O)O)C3=O)c[nH]c2c1 51330859 QILMKFOZODAQNJ-UMJDEASPSA-N 422.553 3.584 10 40 HHCB CCOc1cc(N2CCOCC2)ccc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222597333 YYCKGQBDOPMFST-USCONSEESA-N 424.570 3.906 10 40 HHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)cc1 408961684 UOKOERNPPOSQMV-RCCKNPSSSA-N 419.481 3.660 10 40 HHCB Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 409133809 SFSGRKPAIVCWBC-UYRXBGFRSA-N 413.568 3.762 10 40 HHCB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OC(=O)c1ccc(F)cc1 1030858 ZMFLFEWSTKDMLT-MHWRWJLKSA-N 403.456 3.932 10 40 HHCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 4715141 IYUXMOZFARLZFQ-AQTBWJFISA-N 423.465 3.585 10 40 HHCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 9851258 HJZUYCAGNUBLDN-LDADJPATSA-N 423.881 3.668 10 40 HHCB COc1ccc(/C=C2/SC(=S)N(CNc3ccc([N+](=O)[O-])cc3)C2=O)cc1 13398558 UVYGVEANHMLMNZ-MHWRWJLKSA-N 401.469 3.874 10 40 HHCB COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O 13711754 BASIDCBKTLMICS-GDNBJRDFSA-N 404.900 3.895 10 40 HHCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(Cc2cccc(F)c2)cc1 408884430 XUYPWNZUYSYUIT-KGENOOAVSA-N 416.408 3.789 10 40 HHCB Cc1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 4711834 BBWYIXYSWMZWEL-QPEQYQDCSA-N 408.310 3.657 10 40 HHCB CCCCOc1cccc(C(=O)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)c1 6026232 UKFLOUPPFUANOW-UHFFFAOYSA-N 413.474 3.745 10 40 HHCB COc1ccc(N2CCN(CCCNC(=O)c3ccc4ccccc4c3)CC2)cc1 9919418 OAFAYZBWDLCKGC-UHFFFAOYSA-N 403.526 3.791 10 40 HHCB C[C@@H](Sc1nncn1C1CC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 10648749 WULOBJGWESDZKM-GFCCVEGCSA-N 418.478 3.508 10 40 HHCB COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1nc(C)cs1 44085872 YNWAKOCBXXLCPY-UHFFFAOYSA-N 418.544 3.701 10 40 HHCB CCOc1ccccc1/C=C1\C(=O)N(c2ccc(OC)c(OC)c2)C(C)=C1C(=O)OC 409051432 CMXHOEQULJNEDR-AQTBWJFISA-N 423.465 3.980 10 40 HHCB COc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2ccco2)SC1=S 1863047 JTQGJJGXYTYPKC-VBKFSLOCSA-N 402.497 3.908 10 40 HHCB CCOc1ccc(S(=O)(=O)N(CC)Cc2ccc(N(C)C)cc2)cc1OCC 22287310 QOAYCDFOFYJMLZ-UHFFFAOYSA-N 406.548 3.761 10 40 HHCB CCCCOc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)OC)C2=O)cc1OC 27563117 RCZKTZCSPUNZGX-IEMQHYRPSA-N 409.529 3.637 10 40 HHCB N=C1/C(=C/c2cccc(Br)c2)C(=O)N=C2SC(c3ccco3)=NN12 41076773 UWZNRWWVTYXLPE-TWHPYUGFSA-N 401.245 3.710 10 40 HHCB Cc1ccc(-c2nc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cs2)o1 47293600 XRWGZAIUXMAYBA-UHFFFAOYSA-N 415.490 3.742 10 40 HHCB CCOc1ccc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(C)=C2C(=O)OC)cc1 59435786 QSIIGPGWTOOEET-STZFKDTASA-N 407.466 3.967 10 40 HHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(F)cc1 223616616 WAWXVFKGGSGREK-VXKWHMMOSA-N 424.545 3.983 10 40 HHCB COC(=O)COc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 409055397 IMVAAWGVSTVTTA-WQRHYEAKSA-N 413.520 3.948 10 40 HHCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1c(Cl)cccc1Cl 409215107 ZVUSVRZIJHJEHU-XYOKQWHBSA-N 406.181 3.568 10 40 HHCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(N2CCCC2)c2ccccc12 409395268 LUCWQMQWTYDPPM-HMMYKYKNSA-N 412.449 3.501 10 40 HHCB CCCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 102188020 HRLXEJZZCIFVET-APYUEPQZSA-N 405.516 3.879 10 40 HHCB CCOC(=O)c1cc(NC(=S)NCCN(C)c2ccc(OC)cc2)ccc1Cl 225798942 MEKUKWMRZZPHDP-UHFFFAOYSA-N 421.950 3.948 10 40 HHCB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(O)c(O)c3)SC2=S)c(Cl)c1 409161756 PJUBGCLRUPWOID-OVCLIPMQSA-N 420.899 3.606 10 40 HHCB COc1ccc(N2C[C@](O)(c3ccc(Br)cc3)[N+]3=C2SCCC3)cc1 2921933 RPHBRNMVYRRLOM-IBGZPJMESA-N 420.352 3.628 10 40 HHCB O=C(c1ccccn1)N(Cc1ccco1)C1CCN(c2ccc3c(c2)OCCO3)CC1 12144206 HNYVWSVNGWILOM-UHFFFAOYSA-N 419.481 3.757 10 40 HHCB Cn1cc(-c2nc(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)cs2)cn1 79048931 MXRYPUMODSVVKQ-UHFFFAOYSA-N 401.455 3.506 10 40 HHCB COc1ccc(CCNC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1 95472098 DVWFDIJEBVPVGU-UHFFFAOYSA-N 424.456 3.696 10 40 HHCB Cn1nccc1-c1c2oc3c(O)c(O)ccc3c2nc2c1c(O)nn2C1CCCC1 95480789 KHLFZYIKNFLFCI-UHFFFAOYSA-N 405.414 3.963 10 40 HHCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O 409014923 QTKRUYRLPYPRDV-BGARDKSCSA-N 414.483 3.788 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)c1 409119921 UKTLZZAYPZEFEX-UKTHLTGXSA-N 405.237 3.977 10 40 HHCB CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OC 409332835 RPNNSZZMDWAMHS-XNTDXEJSSA-N 420.537 3.702 10 40 HHCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccccc1C(F)(F)F 5523234 CHLFPPVUUGYZOO-YBEGLDIGSA-N 402.372 3.973 10 40 HHCB COc1ccc(C)cc1NS(=O)(=O)C1=CC=C[C@H]2C(=O)c3ccccc3C(=O)[C@H]12 96319584 UYUSBWDDRMSMIY-UZLBHIALSA-N 409.463 3.511 10 40 HHCB COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1 2702118 IQLDXHIYBUYUCM-BOPFTXTBSA-N 412.492 3.837 10 40 HHCB COc1cccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)c1OC 22418430 HYQOSCGUNOJNFV-HXUWFJFHSA-N 412.534 3.728 10 40 HHCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc3ncccc3c2)SC1=S 51330871 QVVJPHMEWMDWLW-MKRLJBPISA-N 404.538 3.642 10 40 HHCB COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc(OC)c1O 96193380 HJVMBSZZZOZNOR-MLPAPPSSSA-N 416.817 3.567 10 40 HHCB CN1CCN(c2ccc(CNC(=O)CSCc3ccc(Cl)cc3F)cc2)CC1 222569012 WMRQFHBHCBDVPP-UHFFFAOYSA-N 421.969 3.781 10 40 HHCB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 225838480 IPIQLTBLSGZHDL-INIZCTEOSA-N 413.543 3.666 10 40 HHCB CCOC(=O)CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 27530666 UNDULAXYIRMGJD-FMIVXFBMSA-N 400.319 3.604 10 40 HHCB Cc1c(C=C2C(=O)NC(=S)NC2=O)c2ccccc2n1Cc1ccc(Cl)cc1 41077961 IUPMZANIPKYDRW-UHFFFAOYSA-N 409.898 3.566 10 40 HHCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 100757859 RNLPABKJBBAOIS-DTQAZKPQSA-N 412.877 3.765 10 40 HHCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@@H](CC)C2 169300058 AVSFNVCPZFZDDL-XRQSXFTLSA-N 417.527 3.901 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OCC 408804269 WSRVPQQGQSOXSJ-SDNWHVSQSA-N 414.845 3.804 10 40 HHCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)C(=O)NC1=S 408961973 WFNIHFNPTRAMIF-HMMYKYKNSA-N 419.550 3.989 10 40 HHCB CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)c(OCC)c1 408983683 NKJIWZGUKFMIEP-UYRXBGFRSA-N 408.454 3.713 10 40 HHCB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2C)C1=O 409210583 JRXLYJFWNHPEAA-GYZOOYGHSA-N 402.516 3.973 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1O[C@@H](C)C(=O)O 409236785 HFBOWJKFBMCGTF-IEMQHYRPSA-N 415.492 3.953 10 40 HHCB Cc1c(N2C(=O)/C(=C\c3ccccc3O)SC2=S)c(=O)n(-c2ccccc2)n1C 9034280 IAFCQLIEMKYFIA-SFQUDFHCSA-N 423.519 3.596 10 40 HHCB COc1ccc(CCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 13007694 MQPGIRXFUHVTMO-VWLOTQADSA-N 421.585 3.964 10 40 HHCB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1CNc1ccc([N+](=O)[O-])cc1 13398575 PGMCLNXWQWEGMR-OQLLNIDSSA-N 416.440 3.774 10 40 HHCB Cc1cc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccc(F)cc1 14932719 XHHNYWQGOKRDHW-UHFFFAOYSA-N 404.445 3.742 10 40 HHCB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c1 65795970 FLPHYEPLEOZJKS-UHFFFAOYSA-N 422.934 3.595 10 40 HHCB COc1ccc(N2CCC(NC(=O)C3(OCc4ccccc4)CCOCC3)CC2)cc1 83947469 ICRWTGSXCGTMBB-UHFFFAOYSA-N 424.541 3.546 10 40 HHCB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)SC2=S)cc1 208640159 GPKCCNIWAYRWSZ-RGEXLXHISA-N 412.536 3.938 10 40 HHCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 223707019 SPXKZGFVMFSBTE-YADHBBJMSA-N 420.538 3.716 10 40 HHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)c1C 409097943 OJLOVLWMEDOFGL-SFQUDFHCSA-N 407.445 3.709 10 40 HHCB C[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccccc1 4834518 GVKQGIGRSGXMHH-CYBMUJFWSA-N 400.390 3.861 10 40 HHCB Cc1cccc(N2C(=O)N=C(O)/C(=C\NNc3ccc(Br)cc3)C2=O)c1 38161365 KPBYUGOIFVQFNV-XNTDXEJSSA-N 415.247 3.681 10 40 HHCB CCOC(=O)COc1ccc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1OC 208656428 HBBBXBBDLXUPQF-PDGQHHTCSA-N 412.467 3.720 10 40 HHCB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCn1cnc2ccccc2c1=O 604404803 LIJLSWKQTXSMFU-UHFFFAOYSA-N 419.440 3.623 10 40 HHCB biogenic O=C(COc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1)Nc1ccccc1 631589 HQRHKPLQARZOMU-UHFFFAOYSA-N 421.449 3.848 10 40 HHCB CC1(C)OC(=O)C(=CNc2nc(-c3cccc(Br)c3)cs2)C(=O)O1 2543485 XSAMKZFPLITDQM-UHFFFAOYSA-N 409.261 3.705 10 40 HHCB O=C(NN1C(=O)/C(=C/c2cccnc2)SC1=S)c1ccc(Cl)cc1Cl 9477358 QGMXGSJENGHGCV-MLPAPPSSSA-N 410.307 3.935 10 40 HHCB COc1ccc2cc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)[nH]c2c1 58419135 BLIKYILLDULHBF-HUUCEWRRSA-N 411.477 3.859 10 40 HHCB O=C1/C(=C\Nc2ccc([N+](=O)[O-])cc2)C(C(F)(F)F)=NN1c1ccc([N+](=O)[O-])cc1 100057186 DAKMILXMWHVWTE-ZROIWOOFSA-N 421.291 3.764 10 40 HHCB COc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)c(Cl)c1Cl 223719274 LPRMVORNUDGDFF-UHFFFAOYSA-N 403.331 3.889 10 40 HHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)o1 409242494 VHSKRKKUVWKLIN-SDNWHVSQSA-N 401.850 3.754 10 40 HHCB COc1ccc(CC2=NN3C(=N)/C(=C/c4ccc(C)cc4)C(=O)N=C3S2)cc1OC 13752218 ZLYLMWGORRTOEG-BHBBQXGTSA-N 420.494 3.874 10 40 HHCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(=O)c3cc(F)ccc3o2)cc1 27989328 DVGLVYZTTGBUPQ-IBGZPJMESA-N 424.472 3.820 10 40 HHCB Cn1c(=O)n(C)c2cc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)ccc21 108754160 ABWSZBGDQVVXIA-YBEGLDIGSA-N 415.927 3.936 10 40 HHCB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCOCC1 222608556 MCGRRMQFZFSDBN-KNXBSLHKSA-N 424.570 3.906 10 40 HHCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCN(C(C)=O)C[C@H]1c1ccccc1 257218563 DDONOHDHEWOBIE-QHCPKHFHSA-N 421.541 3.731 10 40 HHCB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 409383201 SJZBRPWYNVTYSY-WQRHYEAKSA-N 409.463 3.984 10 40 HHCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1O 974426 ZUFSEPBTEKSEOZ-DHDCSXOGSA-N 420.899 3.600 10 40 HHCB CCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(OC)cc2)C1=O 6554620 DSDVWDFABFWGSR-SFQUDFHCSA-N 414.508 3.640 10 40 HHCB O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc2oc(=O)ccc2c1 13575682 RXTJEZRBUCVXOX-YVLHZVERSA-N 422.487 3.633 10 40 HHCB CN(C)c1ccc([C@@H](CNC(=O)C2=C(c3ccccc3)SCCO2)N(C)C)cc1 20745532 CWFHKWRKWRLDFQ-HXUWFJFHSA-N 411.571 3.604 10 40 HHCB O=C(Oc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1)c1ccco1 27015628 GYDUQUFTPYHJHX-QJISPJEISA-N 415.492 3.879 10 40 HHCB Cc1cc(-c2csc(NC(=O)[C@@H]3COCCO3)n2)c(C)n1-c1ccc(F)cc1 30601772 ZPLSEQMKZZWIKC-SFHVURJKSA-N 401.463 3.711 10 40 HHCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCCC1 408526740 CHEOCNKCZRTNIH-LGMDPLHJSA-N 416.485 3.896 10 40 HHCB O=C(Cc1cccc2ccccc12)NN1C(=O)/C(=C/c2ccccn2)SC1=S 5932527 LFECEIDGIFYNIN-AQTBWJFISA-N 405.504 3.710 10 40 HHCB Cc1ccc(OCC(=O)c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c([N+](=O)[O-])n1 25021682 SHEURBYVXCLJID-UHFFFAOYSA-N 410.386 3.876 10 40 HHCB O=C(O)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 40940242 BKBGVRVCTDKZQP-ZROIWOOFSA-N 418.883 3.584 10 40 HHCB CCOCCCN/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 112287463 INCLLUVMSWPOFY-SILNSSARSA-N 408.458 3.636 10 40 HHCB CCc1ccc(N2C(=O)/C(=C/C=C/c3ccc(N(C)C)cc3)C(=O)NC2=S)cc1 6225241 HEOIWMHDIURZII-RGQKVHTQSA-N 405.523 3.703 10 40 HHCB COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(Cl)cc3)CC2)cc1 12557370 JTVCVLQFFXAGSJ-UHFFFAOYSA-N 402.926 3.682 10 40 HHCB CN1CCN(c2ccc(CNC(=O)CCc3ccc(Cl)c(Cl)c3)cc2)CC1 225339288 DMEQLSPRQUSESR-UHFFFAOYSA-N 406.357 3.994 10 40 HHCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC(C)C)c(OC)c3)C2=O)cc1 408986057 LLAFYRSKGBBRBE-PDGQHHTCSA-N 408.454 3.711 10 40 HHCB COCCN1C(=O)[C@@H](Cc2ccc(OCc3ccc(C)cc3)cc2)SC1=S 409145357 OPRALHWZLUKSCS-LJQANCHMSA-N 401.553 3.992 10 40 HHCB CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3O)=NN12 10213925 JBLBRUHWARGUQB-IBGZPJMESA-N 407.470 3.884 10 40 HHCB O=C(N[C@H](Cc1ccc(O)c(O)c1)C(=O)O)OCC1c2ccccc2-c2ccccc21 13351473 NIJSCWCPASSJPI-HXUWFJFHSA-N 419.433 3.632 10 40 HHCB COc1ccc(-c2nn(CN3CCN(c4ccc(OC)cc4)CC3)c(=S)o2)cc1 56552760 HPLKHVJQUKKFCY-UHFFFAOYSA-N 412.515 3.669 10 40 HHCB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)n1-c1ccccc1 223289905 WKYLZSUSKSBXBC-FGZHOGPDSA-N 405.571 3.715 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1OC 409101926 ZPCNIJICASFBPP-DHZHZOJOSA-N 421.236 3.677 10 40 HHCB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCc2ccccc2)cc1 1793493 AOUMXQOYKUEUHZ-CLCOLTQESA-N 413.521 3.882 10 40 HHCB CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 4745360 UQYLDAIZYAENED-WJDWOHSUSA-N 407.513 3.740 10 40 HHCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N\c1c(O)cc(S(=O)(=O)O)c2ccccc12 104370016 GQCUEANXEKPQGU-UGNPLGLKSA-N 424.438 3.667 10 40 HHCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cc([N+](=O)[O-])ccc1C 112287933 QJDVTUMUNBPVIF-ZHZULCJRSA-N 408.414 3.555 10 40 HHCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)C(=O)NC2=S)c1 408961119 RDRHIMAHVKWDRC-XSFVSMFZSA-N 405.523 3.735 10 40 HHCB CC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1 4745501 FGUCXKSJJAUAGS-LFIBNONCSA-N 400.481 3.712 10 40 HHCB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)[C@@H]1C 6522718 AVGZDESZBKNBEP-SXGZJXTBSA-N 419.477 3.560 10 40 HHCB CN1C(=O)C(=Cc2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)C(=O)N(C)C1=O 8836327 WHDDCRBMKXWXKV-UHFFFAOYSA-N 424.196 3.595 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)c1OC 12140502 DUFZQLWLCBVRHR-NVNXTCNLSA-N 417.464 3.513 10 40 HHCB CCc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)OC)cc3)C(C)=C2C(=O)OC)cc1 408528009 BYHHMXCEYISOPG-ZHZULCJRSA-N 405.450 3.913 10 40 HHCB COc1ccc(N2CCN(c3nc(Cl)nc(Nc4ccc(F)cc4)n3)CC2)cc1 969415 UPGPCOREBWFJLY-UHFFFAOYSA-N 414.872 3.743 10 40 HHCB aggregator O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1cccc(O)c1 4176455 YMIGNJIDGVHTHH-YBEGLDIGSA-N 402.472 3.761 10 40 HHCB Cc1ccc(F)cc1NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 9586976 HGZZXHUCWREZRD-UHFFFAOYSA-N 417.392 3.705 10 40 HHCB CN(C)c1ccc(/C=C/C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 26134095 XYYQQYNPJYHBTJ-BJMVGYQFSA-N 420.509 3.659 10 40 HHCB O=C(c1sc2nc(N3CCOCC3)cc(-c3ccccc3)c2c1O)N1CCCC1 20677147 AWKYQKFMIVOPLB-UHFFFAOYSA-N 409.511 3.742 10 40 HHCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1occc1CS(=O)(=O)c1ccccc1 22024049 MRETXDYDEGHHKV-UHFFFAOYSA-N 412.511 3.592 10 40 HHCB Cc1cc(/C=C2/C(=O)N(C)C(=S)N=C2O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 33286661 PPBFKXWXYVMANR-VGOFMYFVSA-N 417.874 3.543 10 40 HHCB Cc1nc2cc(F)cc(C(=O)NCc3ccc(N4CCSCC4)cc3)c2nc1C 54035183 JNCOZTYANWVXDR-UHFFFAOYSA-N 410.518 3.869 10 40 HHCB CC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1cc(Cl)ccc1O)N2 80324808 QVFPNYACZPQHSA-LJQANCHMSA-N 413.905 3.614 10 40 HHCB COC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCCCC2 102345303 ZJKRRHWEUHXNHV-APYUEPQZSA-N 403.500 3.655 10 40 HHCB COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)c1 222764835 VLAMTZVXDBSRJJ-NHCUHLMSSA-N 420.538 3.878 10 40 HHCB CCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)C(=O)N(c2ccc(Cl)cc2)C1=S 409020582 QSOVKANQUAHRAO-XNTDXEJSSA-N 416.886 3.618 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(-c2cccs2)[nH]c1=S 7317493 XDAAVEKRGMCNOF-UHFFFAOYSA-N 401.561 3.595 10 40 HHCB O=C1NC(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1c2ccccc2cc2ccccc12 9319247 IWPFFZLFKIIMGC-VYVDHXHBSA-N 400.434 3.634 10 40 HHCB Cc1cc(C(=O)COC(=O)c2cc[n+]([O-])cc2)c(C)n1-c1cccc(C(F)(F)F)c1 13108054 UMZPZGFYUZSIAM-UHFFFAOYSA-N 418.371 3.786 10 40 HHCB COc1ccc2cc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c(C)nc2c1 19715205 STAJWGUCZGNSHU-INIZCTEOSA-N 405.498 3.879 10 40 HHCB CCOc1ccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1 35648450 LQPZOOHTYWBVJP-CXUHLZMHSA-N 401.465 3.895 10 40 HHCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 408849521 WQVGKYJBBVNYCK-DHZHZOJOSA-N 422.249 3.733 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 409410147 ZLJKGNWGVBYUPP-STZFKDTASA-N 415.405 3.635 10 40 HHCB CN1C(=O)C(=Cc2ccccc2Oc2cccc(C(F)(F)F)c2)C(=O)N(C)C1=O 4050237 JDJOVFPUOYSVLJ-UHFFFAOYSA-N 404.344 3.932 10 40 HHCB CCNc1nc(NCC)n2c(SCC(=O)c3ccc(C(C)(C)C)cc3)nnc2n1 4176424 LNLZJIMDWSSXEB-UHFFFAOYSA-N 413.551 3.655 10 40 HHCB O=C(O)CCCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S 11291089 DKIDYNFCYRRLMW-XNTDXEJSSA-N 417.464 3.711 10 40 HHCB COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)C(C)C)CC2)cc1 97546843 KYPZNYQKXAMDOM-UWJYYQICSA-N 401.576 3.781 10 40 HHCB COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)c1 108926947 OBTAMTZQWBQTPB-ATVHPVEESA-N 422.824 3.848 10 40 HHCB Cc1cc(C(=O)COn2nnc3ccc(Cl)cc32)c(C)n1-c1ccc2c(c1)OCO2 9764476 GWEJNUWPZHZATK-UHFFFAOYSA-N 424.844 3.532 10 40 HHCB Cc1nnc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)n2C)s1 11270423 XUJONYVKJNYAJN-UHFFFAOYSA-N 424.349 3.740 10 40 HHCB COc1ccc(N2C(=O)/C(=C\c3cc4ccc(OC)cc4[nH]c3=O)SC2=S)cc1 13732692 VBMFUFGGQVEVLR-VCHYOVAHSA-N 424.503 3.951 10 40 HHCB O=C1c2ccccc2C(=O)C1(c1ccccc1)N1CCN(c2ccccc2F)CC1 20178049 JWMCVLMRWAUUKO-UHFFFAOYSA-N 400.453 3.922 10 40 HHCB CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 23398178 BZHZDAFCXYKZJI-UHFFFAOYSA-N 408.545 3.907 10 40 HHCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1 38166857 BHXSXWUTHOPYCR-LICLKQGHSA-N 409.492 3.723 10 40 HHCB COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(F)cc3)c3ccco3)CC2)cc1 56946119 GNLOVWKJCVKCDY-QFIPXVFZSA-N 423.488 3.721 10 40 HHCB Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C 223574873 WUTXKJWUQYLOIY-YADHBBJMSA-N 406.555 3.762 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C2=O)cc1 408898996 NUGCDZUFHNCSAG-RCCKNPSSSA-N 414.465 3.518 10 40 HHCB CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc(N(C)C)cc2)n2ncnc2N1 35507667 BXBQLZVOLFSPHE-IBGZPJMESA-N 408.893 3.925 10 40 HHCB CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 106765998 JFDVPGOHPUPVMA-JXAWBTAJSA-N 401.532 3.582 10 40 HHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(OCC)c3)C2=O)cc1 408870666 WJAHOSLIKCZNLM-WOJGMQOQSA-N 414.845 3.804 10 40 HHCB CCOc1ccc(/C=C2\C(=O)N(c3cccc(OC)c3)C(C)=C2C(=O)OC)cc1OC 6964053 PUUCXLHWBFNPPN-UNOMPAQXSA-N 423.465 3.980 10 40 HHCB O=C(NN1C(=O)/C(=C/c2ccncc2)SC1=S)c1ccc(Cl)cc1Cl 8821941 XEIDDWLGGPZNDG-QPEQYQDCSA-N 410.307 3.935 10 40 HHCB CC(C)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CC(C)C)C1=O 13714410 YJXGAWWDOGWUBB-DHDCSXOGSA-N 416.572 3.620 10 40 HHCB O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(C(F)(F)F)=NN1c1ccccc1 408972078 RONKSCOLTJWFKL-SDQBBNPISA-N 405.288 3.672 10 40 HHCB O=C1Nc2ccc(S(=O)(=O)Nc3ccc(O)c(C(F)(F)F)c3)c3cccc1c23 79075848 NGLLPLAXOQBEMP-UHFFFAOYSA-N 408.357 3.931 10 40 HHCB O=[N+]([O-])c1ccc(N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c([N+](=O)[O-])c1 84351283 PYQPPBKMSXWEBW-AWEZNQCLSA-N 406.826 3.939 10 40 HHCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 408770248 VFWHBKDZQQEGSN-BOPFTXTBSA-N 409.438 3.590 10 40 HHCB C[C@@H](N/C=C1/C(=O)NC(=S)N(c2cccc3ccccc23)C1=O)c1ccccc1 2372559 XVUWYJJVLUXNSU-ATPAHOSSSA-N 401.491 3.822 10 40 HHCB Cc1ccccc1/N=N/c1c(O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc12 4804146 ABTIMDCFDYKWSF-VHEBQXMUSA-N 422.440 3.763 10 40 HHCB Cc1cc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1F 408551974 QGVMFROANUPYAU-WQLSENKSSA-N 407.829 3.670 10 40 HHCB CN1C(=O)/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C(=O)NC1=S 408910052 IXFQXETVGAGHHV-CPNJWEJPSA-N 402.475 3.675 10 40 HHCB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)SC1=S 409216418 ICBYKSMNRFKWIS-WQRHYEAKSA-N 413.520 3.948 10 40 HHCB O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S 5552036 HEPNBSSABCWQRX-GDNBJRDFSA-N 406.891 3.954 10 40 HHCB O=C(NN1C(=O)/C(=C/c2ccccn2)SC1=S)c1ccc(Cl)cc1Cl 8766440 BZDCROWELPOIRR-JYRVWZFOSA-N 410.307 3.935 10 40 HHCB COc1ccc(N2CCN(CCCNc3ncnc4cc(Cl)ccc34)CC2)cc1 32808481 UHFJQGBASCUHPE-UHFFFAOYSA-N 411.937 3.916 10 40 HHCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])cc1O 101077963 HCBHLIHISQRHJF-NTEUORMPSA-N 417.219 3.781 10 40 HHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(OC)c1 408850540 BQKRXYYYEFCOHR-DEDYPNTBSA-N 421.497 3.825 10 40 HHCB CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C)C1=O 5947685 ZEZTWHAOWXSQKB-RIYZIHGNSA-N 416.821 3.978 10 40 HHCB COc1ccc(N2CCN(c3nc4ccccc4c(=O)n3-c3ccccc3)CC2)cc1 6590144 AZNKWPDHRFWKSF-UHFFFAOYSA-N 412.493 3.721 10 40 HHCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(Cl)c1 9933803 LTRFGZQWOWMKDH-ZROIWOOFSA-N 421.703 3.934 10 40 HHCB C[C@H](Nc1cnn(Cc2ccccc2)c(=O)c1Cl)c1ccc(N2CCOCC2)cc1 95377498 QQIXFSGUWGPDIB-KRWDZBQOSA-N 424.932 3.955 10 40 HHCB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@@H](CC)C2 169300059 AVSFNVCPZFZDDL-YEJOONJESA-N 417.527 3.901 10 40 HHCB CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(=O)N(CC)CC)c12 409123740 IJMJELDLNVFRRC-BOPFTXTBSA-N 415.584 3.903 10 40 HHCB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)C1=O 4600073 WAHMXQPZUFFUBT-CXUHLZMHSA-N 415.423 3.553 10 40 HHCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccccc1[N+](=O)[O-] 8820304 XEVQVKPKVXSERZ-RVDMUPIBSA-N 417.468 3.808 10 40 HHCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/C2=Cc3ccccc3O[C@H]2C)SC1=S 54361101 YZESAYPDGUCDEM-VGHYSAKQSA-N 421.565 3.801 10 40 HHCB CCC[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccc(OC)cc2)CC1 57670808 KVUFGSOELGKXIN-JOCHJYFZSA-N 424.524 3.533 10 40 HHCB CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)cc21 260921016 OBTIEOXXVDFLMT-RTWAWAEBSA-N 408.571 3.678 10 40 HHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cs3)C2=O)c1 408901522 YLZYBVPZZYYHOQ-VGOFMYFVSA-N 405.273 3.794 10 40 HHCB O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C\C=C\c3ccco3)SC2=S)c1 5371028 ZZUYOTBZGXYBKU-GSPDUGTFSA-N 401.421 3.638 10 40 HHCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 6348242 YJUUYUPXDJTTLQ-LGMDPLHJSA-N 409.438 3.590 10 40 HHCB COc1ccc(OC)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1 13715056 FSFHFLOKULNLHN-NVMNQCDNSA-N 415.492 3.834 10 40 HHCB COc1cc(/C=C2/SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)ccc1O 27530353 RPSOGLMPNJYZCH-LICLKQGHSA-N 400.481 3.765 10 40 HHCB CN1CCN(c2ccc(CNC(=O)c3ccc(CN4CCCCCC4)cc3)cc2)CC1 219965729 IHYAYRKPXBBXKY-UHFFFAOYSA-N 420.601 3.744 10 40 HHCB CC(C)n1[nH]c(=O)c2c(-c3ccc(O)c(O)c3)c3oc4c(O)c(O)ccc4c3nc21 85879857 HWWQHAXBIVFEMJ-UHFFFAOYSA-N 407.382 3.694 10 40 HHCB biogenic CCOC(=O)c1ccc(NC(=S)NCCN(C)c2ccc(OC)cc2)c(C)c1 225798827 HLSHNQXGONRSIL-UHFFFAOYSA-N 401.532 3.603 10 40 HHCB COc1ccc(N/C=C2\C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)cc1Cl 408535631 ZEFZPIYBLYWGOS-XNTDXEJSSA-N 413.861 3.853 10 40 HHCB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)c1 408646084 NUMHCYNJQMNJHD-UHFFFAOYSA-N 423.425 3.806 10 40 HHCB CC(C)(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O 4933347 KLGVQFKKURFQFI-LFIBNONCSA-N 406.479 3.804 10 40 HHCB O=C(NN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S)c1ccc(Cl)cc1 8649108 MFHVAYWRXLLTNE-ZROIWOOFSA-N 414.899 3.763 10 40 HHCB aggregator COc1ccc2cc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(=O)[nH]c2c1 13729166 FYBJUXVCAOBWGV-VCHYOVAHSA-N 408.504 3.938 10 40 HHCB O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\Nc1cccc(C(F)(F)F)c1 17245933 CSRGXQVGNIHCBN-VBKFSLOCSA-N 407.392 3.970 10 40 HHCB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 113970153 FUPQBTSRXIRPNJ-OAQYLSRUSA-N 402.922 3.959 10 40 HHCB Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1C 223574915 WUTXKJWUQYLOIY-FCHUYYIVSA-N 406.555 3.762 10 40 HHCB CCOc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)NC2=S)c1 408857423 OAOUNTBVQBBCNK-HMMYKYKNSA-N 417.490 3.707 10 40 HHCB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O 409208253 BKTADICRUBSQAA-CYVLTUHYSA-N 415.559 3.972 10 40 HHCB COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2cccc(C)c2)SC1=S 409210607 LSJDAYDKJXMVDS-WQRHYEAKSA-N 413.520 3.948 10 40 HHCB CCCc1nnc(S/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)O)[nH]1 7342368 SQQFNXQDLRWJIK-FOWTUZBSSA-N 417.491 3.874 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 12634302 WSOFZOOFPMZTNS-UHFFFAOYSA-N 415.342 3.651 10 40 HHCB COc1ccc(OC)c(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c1 13841727 YJHDOJNSKXWQFT-MHWRWJLKSA-N 401.465 3.808 10 40 HHCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3F)C(=O)N=C2O)ccc1OC(C)=O 34864732 MCBGBSCNYZBUIQ-UVTDQMKNSA-N 412.373 3.656 10 40 HHCB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](N/C=C1/C(=O)NC(=O)N(c3ccc(Cl)cc3)C1=O)C2 35430859 RWBUMSZPGMQAES-STETZAIPSA-N 401.894 3.611 10 40 HHCB Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccccn4)o3)C(=O)NC2=S)c1 408990375 KWQOVIZDAHUKFY-FOWTUZBSSA-N 421.503 3.966 10 40 HHCB C[C@@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O 409215501 AAPJHVLRCNLBOB-BAACNHRGSA-N 413.543 3.724 10 40 HHCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O 409232291 NSMKPUBTGATZHD-XSFVSMFZSA-N 419.481 3.660 10 40 HHCB COc1cc(C=C2SC(=S)N(CNc3cccc([N+](=O)[O-])c3)C2=O)ccc1O 2049236282 AKDPSMDJZZVDMV-UHFFFAOYSA-N 417.468 3.580 10 40 HHCB CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3O)=NN12 10213927 JBLBRUHWARGUQB-LJQANCHMSA-N 407.470 3.884 10 40 HHCB CN(C)c1ccc([C@H](CNC(=O)C2=C(c3ccccc3)SCCO2)N(C)C)cc1 20745531 CWFHKWRKWRLDFQ-FQEVSTJZSA-N 411.571 3.604 10 40 HHCB COc1cc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)c([N+](=O)[O-])cc1OC 7699641 RJFHUFLICFLCRJ-YRNVUSSQSA-N 413.817 3.920 10 40 HHCB O=C(Cc1cccc2ccccc12)NN1C(=O)/C(=C/c2cccnc2)SC1=S 13042913 SEQRGEPIKUAELY-WQRHYEAKSA-N 405.504 3.710 10 40 HHCB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(C)cc4)C3=O)o2)cc1 13615659 UCZVMDXMZOEWNO-ZHZULCJRSA-N 416.433 3.893 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(O)cc4)c3C)C2=O)cc1 408769328 RDDQZNXCXUGUGC-FYJGNVAPSA-N 415.449 3.775 10 40 HHCB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1 408953939 QSHTZMXHEXJXOG-XMHGGMMESA-N 417.490 3.626 10 40 HHCB COc1ccc(Br)cc1C[C@H]1SC(=S)N(Cc2cccnc2)C1=O 409139969 GTPSKMVQCCWAFQ-OAHLLOKOSA-N 423.357 3.824 10 40 HHCB COc1cc(C=C2SC(=S)N(CNc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 2049236302 TVXYHMVWYVHVKI-UHFFFAOYSA-N 417.468 3.580 10 40 HHCB Cc1cc(Br)c(O)c([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 1756434 NXDQHZDLIIEYSV-WBVHZDCISA-N 401.260 3.633 10 40 HHCB biogenic CN1C(=O)/C(=C/c2ccc(OCCOc3ccc([N+](=O)[O-])cc3)cc2)SC1=S 2958455 IWTRARVOOFFKMC-ATVHPVEESA-N 416.480 3.884 10 40 HHCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cccn1-c1ccc(Cl)cc1 4703288 KIWFBZMPKUUWAJ-VBKFSLOCSA-N 409.804 3.936 10 40 HHCB CCSCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(N(CC)CC)cc1 5003531 NARUAPWPTUUYLX-GOSISDBHSA-N 407.605 3.622 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c1OC 13713539 OYWRMRKBZMSJHW-GDNBJRDFSA-N 401.465 3.808 10 40 HHCB C[C@@H](NC(=O)CN1CCC(c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 19661252 UATKHDLEFSXMSY-HXUWFJFHSA-N 407.558 3.580 10 40 HHCB CCN(CCO)C(=O)CCCCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 5376049 HYWOLLHLKZTJQU-SDXDJHTJSA-N 420.600 3.597 10 40 HHCB O=C(O)CCn1cc(/C=C2\SC(=S)NC2=O)c(-c2cccc3ccccc23)n1 12377798 LKOWLSZJANSEEM-YBEGLDIGSA-N 409.492 3.667 10 40 HHCB O=C(O)c1cc(N2C(=O)/C(=C/C3=Cc4ccccc4OC3)SC2=S)ccc1O 16929506 WQVLIUDTROOPOU-IUXPMGMMSA-N 411.460 3.815 10 40 HHCB Cc1[nH]c2ccccc2c1/C=C1/C(=N)N2N=C(c3ccc(O)cc3)SC2=NC1=O 51325981 TZEBGIASPHVKPC-OXMFYWCOSA-N 401.451 3.849 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)cc1C 408959869 HEQZSHDQVWRCEI-RCCKNPSSSA-N 403.482 3.960 10 40 HHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccncc4)c3C)C2=O)c1C 2220980 XWPVWCXKDRUYQY-DEDYPNTBSA-N 414.465 3.772 10 40 HHCB Cc1c(CC(=O)N2CCC(Cc3ccccc3)CC2)c(=O)oc2c(O)c(O)ccc12 12895657 FTHQXXQYJVVVEM-UHFFFAOYSA-N 407.466 3.536 10 40 HHCB biogenic CCN1C(=O)/C(=C\c2ccc(N(C)C)o2)C(=O)N(c2ccc(Cl)cc2)C1=S 409018532 XDSFFZUUMMTVMB-RVDMUPIBSA-N 403.891 3.563 10 40 HHCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)ccc1O 1303355 KCIYXBRQZMNVFB-SXGWCWSVSA-N 401.465 3.895 10 40 HHCB CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)N(c4cccc(C)c4)N=C3C)ccc21 408537233 ZQDLQFYGOMSDFF-RGEXLXHISA-N 403.486 3.870 10 40 HHCB CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(CC(N)=O)c12 409141515 IFHPQSIMDVBOET-PXNMLYILSA-N 401.557 3.546 10 40 HHCB COCCC1=NN(C(=O)c2cc(C)n(-c3ccccc3)c2C)[C@@](O)(C(F)(F)F)C1 5613007 OBHAGJYSXVLUPD-IBGZPJMESA-N 409.408 3.583 10 40 HHCB CC(C)OCCCn1c(-c2ccc(Br)cc2)cnc1SCC(N)=O 5983475 YKSTUQFOZHPYSL-UHFFFAOYSA-N 412.353 3.705 10 40 HHCB CCOc1ccc(Br)cc1/C=C1\NC(=S)N(Cc2cccnc2)C1=O 12860610 KNBVOPQEYQBQBA-DHDCSXOGSA-N 418.316 3.501 10 40 HHCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)ccc1O 16683881 RCFPWOQJYCPTBJ-MHWRWJLKSA-N 401.465 3.895 10 40 HHCB CC(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)NC[C@H]3CCCO3)C2=O)cc1 27020205 HIBPZBRRHPBUKL-ZCWPUFOUSA-N 418.584 3.697 10 40 HHCB COc1cccc(-n2c(C)cc(C(=O)N3CSC[C@@H]3C(=O)NC(C)(C)C)c2C)c1 58283576 ZASYUBGRIMDLBV-LJQANCHMSA-N 415.559 3.533 10 40 HHCB CC[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(=O)OC)C1 101385292 XXEHSBZPOHEQAK-LTVHRWTQSA-N 403.500 3.511 10 40 HHCB COc1ccc(OC)c(/C=C2\C(=O)N=C(O)N(c3ccc(C)c(Cl)c3)C2=O)c1 1879477 WDSBHYHZPZKTOS-OQLLNIDSSA-N 400.818 3.536 10 40 HHCB C[C@H](N/C=C1/C(=O)NC(=S)N(c2cccc3ccccc23)C1=O)c1ccccc1 2372555 XVUWYJJVLUXNSU-NOMGLIDZSA-N 401.491 3.822 10 40 HHCB COCCOC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@@H]1c1ccc(N(C)C)cc1 8744479 OYJCVTKGUZCXEA-OAQYLSRUSA-N 406.486 3.559 10 40 HHCB COc1ccc(N2CCN(C(=O)c3cnc(-c4ccc(Cl)cc4)nc3)CC2)cc1 222607788 VYCNVQASBMNIKU-UHFFFAOYSA-N 408.889 3.768 10 40 HHCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(OC)c1OC 408896303 XPTPKUDOWRQINC-AQTBWJFISA-N 409.438 3.590 10 40 HHCB Cc1c(/C=C2/NC(=O)NC2=O)c2ccccc2n1Cc1ccc(Br)cc1 6369986 IQKNEAZWALKRNL-LICLKQGHSA-N 410.271 3.941 10 40 HHCB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 32772567 JLILOQPCMIJFFH-UHFFFAOYSA-N 422.529 3.866 10 40 HHCB COC(=O)C1=CN(c2cccc(C(F)(F)F)c2)c2cc(F)ccc2S1(=O)=O 64979218 FBILDNWLIOCFCN-UHFFFAOYSA-N 401.337 3.784 10 40 HHCB COc1ccc(N2C(=O)/C(=C/c3cc4ccc(OC)cc4[nH]c3=O)SC2=S)cc1 102738900 VBMFUFGGQVEVLR-ZDLGFXPLSA-N 424.503 3.951 10 40 HHCB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)o2)cc1 678056 LRIVHBGJSNUONR-XMHGGMMESA-N 402.406 3.585 10 40 HHCB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1C[C@@H](C)CC2 4513281 HCYWBISQVXIIPQ-ZWRJDUBHSA-N 417.527 3.901 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)NC3CCCC3)C2=O)c1 4745266 OMPYRPGOPYTNPW-LGMDPLHJSA-N 404.557 3.735 10 40 HHCB Cn1cc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)c2ccccc21 5520141 NWHHWTPCSVFTRH-PDGQHHTCSA-N 407.520 3.653 10 40 HHCB COc1cc(/C=C2/C(=O)NC(=S)N=C2O)cc(Cl)c1OCc1ccccc1 58823168 HFIUXBUTDNLWHV-UHFFFAOYSA-N 402.859 3.682 10 40 HHCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(N(C)C)c([N+](=O)[O-])c3)C2=O)c(C)c1 5076579 IMZWHNUEFCLYNE-XNTDXEJSSA-N 408.414 3.784 10 40 HHCB CC1=CSC2=NC(=O)/C(=C\c3ccc(-c4cc5c(cc4[N+](=O)[O-])OCO5)o3)C(=N)N12 102470657 LISXHFKYQOIZAE-HXGCTYHHSA-N 424.394 3.750 10 40 HHCB COc1ccc(Br)cc1C[C@@H]1SC(=S)N(Cc2cccnc2)C1=O 409139964 GTPSKMVQCCWAFQ-HNNXBMFYSA-N 423.357 3.824 10 40 HHCB COC(=O)c1cc(OC)c(OC)cc1N/C=C1/SC(=S)N(CCC(C)C)C1=O 8990537 KPXYQHUFMLXVLT-MHWRWJLKSA-N 424.544 3.650 10 40 HHCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C)cc4)cc3)C(=N)N2O1 41078465 JSKWLEXKRUUGFY-KAWQFOENSA-N 403.438 3.903 10 40 HHCB O=C(C1=CN(c2ccc(F)c(F)c2)c2ccccc2S1(=O)=O)N1CCCCC1 48988481 RSADEWGMVAXAHT-UHFFFAOYSA-N 404.438 3.744 10 40 HHCB COC(=O)C1=CN(c2cccc(Br)c2)c2ccc(F)cc2S1(=O)=O 64979293 HSQCCTOZHVOQDB-UHFFFAOYSA-N 412.236 3.528 10 40 HHCB N=C1/C(=C\c2ccc3c(c2)OCO3)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN12 80348225 GLOYMBPUKMSCSI-IOIPALIPSA-N 424.869 3.931 10 40 HHCB Cc1c(/N=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C 100551064 WMMDIPCXCNCWKI-WCWDXBQESA-N 402.458 3.698 10 40 HHCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1c[nH]n2c(=O)c3ccccc3nc12 100962810 RXBAEKSWJQGOHF-LICLKQGHSA-N 403.829 3.635 10 40 HHCB Cc1cc(O)ccc1/N=N\c1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1 104366338 YZFWSTBMVHBZBC-HNENSFHCSA-N 422.440 3.763 10 40 HHCB CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cl)ccc4c3OCO4)C2=O)cc1 5727493 SWPRWMNDHRZJPX-OQLLNIDSSA-N 412.829 3.859 10 40 HHCB CN1CCN(c2cc(NC3CCCCC3)c3c(c2N)C(=O)c2ccccc2C3=O)CC1 6664937 HDLAIQAZQPAWGM-UHFFFAOYSA-N 418.541 3.541 10 40 HHCB Cc1nnc(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)s1 12273935 LZXCHCARYHLDRO-AYPDRCFHSA-N 416.553 3.633 10 40 HHCB COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c1 13750298 FRUCQPCOKPTLDK-YBEGLDIGSA-N 401.465 3.808 10 40 HHCB CCOc1cc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)cc(Cl)c1O 16688249 KGUSRUXHOCDKAG-RIYZIHGNSA-N 416.817 3.960 10 40 HHCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\C=C\c3ccccc3)C2=O)c1 408849331 WDACGBLVVZVISD-BUJDNCMTSA-N 406.438 3.707 10 40 HHCB Cc1ccc(OCCOCCOc2cccc(/C=C3\SC(=S)NC3=O)c2)cc1 4549354 SFXBXFURSYMUQM-RGEXLXHISA-N 415.536 3.958 10 40 HHCB CC(=O)c1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 12557766 JLRCBILKSGGTSO-HSZRJFAPSA-N 410.514 3.542 10 40 HHCB CN(C)c1ccc(/C=C2/SC(=S)N(C(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 3024583 XCRSOFNLADYFKK-MHWRWJLKSA-N 413.480 3.702 10 40 HHCB CCCN1C(=O)/C(=C/c2cc3cc(C)ccc3nc2N2CCOCC2)SC1=S 20310838 URRSALDKRYFQNV-AQTBWJFISA-N 413.568 3.991 10 40 HHCB O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 57416559 OVNMTLBRSKJATR-INIZCTEOSA-N 415.896 3.749 10 40 HHCB CC1=NN(c2ccc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc2)CC1 58407011 YZVUDAXGEMZHIG-QZTJIDSGSA-N 424.520 3.955 10 40 HHCB CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 408804653 ZHPUYTWDIYPHPC-LICLKQGHSA-N 414.845 3.804 10 40 HHCB O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1 2281617 MYQMOSGDVMBARO-BOPFTXTBSA-N 412.492 3.645 10 40 HHCB O=C(NN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)c1ccccc1 9188726 HVFOUGKXPXGOFZ-UVTDQMKNSA-N 419.325 3.995 10 40 HHCB CCOC(=O)N1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)CC1 40020083 DXMFYNZOVMZUFQ-UHFFFAOYSA-N 422.481 3.748 10 40 HHCB CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1 409133636 LXHBINJZQFLYKW-RGEXLXHISA-N 407.539 3.981 10 40 HHCB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=S)N(C)C3=O)c2C)cc1 409138107 ZZXIQZDRQOABGW-UYRXBGFRSA-N 411.527 3.738 10 40 HHCB CCOc1c(Cl)cc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc1Cl 409209631 CXQRBKKPTVBFMC-WDZFZDKYSA-N 406.312 3.766 10 40 HHCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc2ccccc2c1 631977 BXLPIOFHCIVFLX-UHFFFAOYSA-N 403.507 3.846 10 40 HHCB O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc(Br)s1 10113175 GVVMQMSQCFBXCZ-UHFFFAOYSA-N 415.378 3.979 10 40 HHCB COc1cccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c1 59198178 BVOAFEBHKXOZMO-XNTDXEJSSA-N 401.216 3.964 10 40 HHCB COc1ccc2cc(/C=C3\SC(=S)N(Nc4ccccc4)C3=O)c(=O)[nH]c2c1 102733934 FYRIYXRDEFECGP-YVLHZVERSA-N 409.492 3.765 10 40 HHCB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 408900068 RHPGGTMDHRARKP-OQLLNIDSSA-N 414.845 3.722 10 40 HHCB COc1ccc2c(c1)c(/C=C1\SC(=S)N([C@H](C(=O)O)C(C)C)C1=O)c(C)n2C 9422886 BHQZUWYYWICPGE-STKCSNAVSA-N 418.540 3.806 10 40 HHCB CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1ccccc1O)N2 15830044 FINXACAXHMFTJR-GOSISDBHSA-N 409.486 3.570 10 40 HHCB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cnc3ccccc3n2)SC1=S 32056357 YJZNTHIWVCUTIH-BRVCPTFNSA-N 407.476 3.657 10 40 HHCB CC(C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccncc2)C1=O 409391724 JPRGSCNDPFISBS-CPNJWEJPSA-N 401.422 3.688 10 40 HHCB Cc1cc(C)c(O)c(CN2CC[C@H]3[C@H](CC(=O)NCc4ccccc4)OC[C@H]3C2)c1 1565550741 HVMGSIZEGULXBY-ZLNRFVROSA-N 408.542 3.552 10 40 HHCB O=C(O)[C@H](Cc1ccccc1)NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12 940539 LBUXRSIZBJQCAB-NRFANRHFSA-N 415.445 3.951 10 40 HHCB biogenic COc1cccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3)C(=O)N=C2S)c1 8996001 FHYTZFXWNWBIEN-UYRXBGFRSA-N 407.495 3.538 10 40 HHCB Cc1cc(N)ccc1/N=N\c1cc2ccc(S(=O)(=O)O)cc2cc1S(=O)(=O)O 17352473 NQWNQOXOVDNBIR-VXPUYCOJSA-N 421.456 3.639 10 40 HHCB CC/C(NC[C@H]1CCCO1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100158100 ARDXWSBWOPMZGW-UAKDJOGKSA-N 424.448 3.994 10 40 HHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(F)c1 223616367 JTZJIMAODZPFGU-FCHUYYIVSA-N 424.545 3.983 10 40 HHCB COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(OC)c1O 13638467 BDRYFZNXAARWKH-PQNHFCOQSA-N 407.451 3.714 10 40 HHCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Cn3cccn3)cc2)cc1 71793327 LHVYKFHGGOXBRK-DEOSSOPVSA-N 418.541 3.819 10 40 HHCB Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@H]3C2=O)c1 102701280 LHCMQUIDDUZMNR-BHIFYINESA-N 400.434 3.752 10 40 HHCB CN(C)CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S 4070682 GVLPAVCBDSGXBJ-ICFOKQHNSA-N 406.573 3.553 10 40 HHCB CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1 9135468 OQGAHKDITOGQKQ-QHCPKHFHSA-N 422.573 3.550 10 40 HHCB COc1ccc2nc(N/C=C3/C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)sc2c1 16312222 ILKXUTWDPBFTKL-GDNBJRDFSA-N 422.466 3.501 10 40 HHCB O=C(/C=C/c1ccc(N2CCCCCC2)cc1)N1CCN(Cc2ccncc2)CC1 24498131 WMIXKJBWISJNNN-JXMROGBWSA-N 404.558 3.820 10 40 HHCB CCN(CC)S(=O)(=O)c1ccc(N2CC=C(c3c[nH]c4ccccc34)CC2)nc1 24527583 OZVVUIUPHUFZRA-UHFFFAOYSA-N 410.543 3.887 10 40 HHCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)COc3ccccc3C=O)c2C)cc1 3292916 UUPMOBXFSNSYKH-UHFFFAOYSA-N 421.449 3.720 10 40 HHCB CCN(Cc1ccccc1)C(=O)/C(=C\c1ccc(N(C)C)cc1)n1ccccc1=O 8985961 GLATYVOJELDSBM-PTGBLXJZSA-N 401.510 3.961 10 40 HHCB CCc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(CC(=O)O)C3=O)c2C)cc1 9264943 KASNXRSOFYDPSL-LICLKQGHSA-N 400.525 3.942 10 40 HHCB COC(=O)c1ccc(CNC(=O)CN(Cc2ccccc2)c2ccc(OC)cc2)cc1 10395136 CFFCQMIQLOYOHN-UHFFFAOYSA-N 418.493 3.805 10 40 HHCB CN(C)c1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Br 15012206 FQRVRWLZUDBTQJ-MHWRWJLKSA-N 418.266 3.747 10 40 HHCB O=C1NC(=S)N(C2CCCCC2)C(=O)/C1=C/Nc1ccc(Cc2ccncc2)cc1 17207060 GTFMMRGHNFKZTO-HMMYKYKNSA-N 420.538 3.544 10 40 HHCB COc1cccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)c1OC 27530376 DUFZQLWLCBVRHR-OVCLIPMQSA-N 417.464 3.513 10 40 HHCB CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 106754234 RSWPOUVCFLUAHU-SXGWCWSVSA-N 415.423 3.633 10 40 HHCB CCN1C(=O)C(=CC2=C3N(CCC2)c2ccccc2C3(C)C)C(=O)N(CC)C1=S 685944599 PIQBEBVDWDHJCL-UHFFFAOYSA-N 409.555 3.754 10 40 HHCB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 5564548 IGPDCFRNCCQAEI-SXGWCWSVSA-N 415.423 3.553 10 40 HHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/Nc1ccc(C)cc1 5600076 SGYMNXRSPTYGPV-NTCAYCPXSA-N 406.467 3.866 10 40 HHCB O=c1[nH]c(CN(Cc2ccccc2)C(=S)NCc2ccco2)nc2ccccc12 6080078 MGHUDOYEMAIONO-UHFFFAOYSA-N 404.495 3.593 10 40 HHCB CN(C)CCCNc1cc(N2CCCCCC2)c(N)c2c1C(=O)c1ccccc1C2=O 6664094 ZLGJUHXQTRRWRU-UHFFFAOYSA-N 420.557 3.788 10 40 HHCB C[C@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O 409215502 AAPJHVLRCNLBOB-UYPHOHSBSA-N 413.543 3.724 10 40 HHCB Cc1ccc(NC2=NC(=O)/C(=C/c3cc(Cl)ccc3OCC(N)=O)S2)cc1 6044375 PGGGATZMPWAPPD-SXGWCWSVSA-N 401.875 3.595 10 40 HHCB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 224213907 JFDPEWLSWIMASQ-RUZDIDTESA-N 421.585 3.791 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1OC 1438502 KIDNBBKHELPXHX-BOPFTXTBSA-N 414.508 3.558 10 40 HHCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(C)n1-c1ccccc1 8131324 MYUGICUAHJSUMS-VWLOTQADSA-N 413.477 3.670 10 40 HHCB CN1CCCc2cc([C@H](CNS(=O)(=O)c3cccs3)N3CCCCC3)ccc21 8800166 RBSLAMZDKPSISC-FQEVSTJZSA-N 419.616 3.636 10 40 HHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccccc1 8846482 VPKPDPFTETWPRW-ZHZULCJRSA-N 420.494 3.626 10 40 HHCB COc1ccc(OC)c([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)c1 12391621 ZYDZPUNOLVTHBD-QGZVFWFLSA-N 420.465 3.752 10 40 HHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)c1 12462778 NHLXCIIGHLIFCK-LDADJPATSA-N 416.389 3.620 10 40 HHCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(O[C@H](C)C(=O)O)cc2)C(O)=NC1=S 16362872 FRQCAOQWRLVDTN-YYTPVVGHSA-N 410.451 3.519 10 40 HHCB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 217026511 OFSBHIFTJQKMAB-OAQYLSRUSA-N 401.938 3.566 10 40 HHCB CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C(=O)O)c2C(=O)OC)C1 225773905 FPUNATGJXAZBLG-YEJOONJESA-N 417.527 3.901 10 40 HHCB CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)NC2=S)cc1 409024502 ZGIMHMRHDOSXKP-XSFVSMFZSA-N 417.490 3.577 10 40 HHCB O=C1C[C@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C(=O)N1c1ccccc1 1452093 RWSRJUNGNDTLNN-HMPUBDHJSA-N 420.515 3.776 10 40 HHCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OC)cc1OC 4559388 OHSZGYNSJIDMPX-NDENLUEZSA-N 407.466 3.885 10 40 HHCB CCOc1ccccc1Oc1c(C)oc2c(CN3CCOCC3)c(O)ccc2c1=O 20358152 CCHRQJBNUHAMMG-UHFFFAOYSA-N 411.454 3.830 10 40 HHCB biogenic CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(=O)OC)C1 169619760 XXEHSBZPOHEQAK-SEQRPAEDSA-N 403.500 3.511 10 40 HHCB COc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC 408898340 LHPUAWGTMTXFNI-OVCLIPMQSA-N 414.845 3.640 10 40 HHCB O=C1/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C(C(F)(F)F)=NN1c1ccccc1 408974357 YFYBNPBBQRJPAB-GHXNOFRVSA-N 422.275 3.557 10 40 HHCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCc1ccc(F)cc1 409024247 IEDMXJFXAVRIIL-ZDLGFXPLSA-N 400.431 3.520 10 40 HHCB Cc1ccc(S(=O)(=O)N2CCN(Cc3c(O)ccc4ccccc34)CC2)cc1C 19902861 PNNLCCYSGFSAGW-UHFFFAOYSA-N 410.539 3.669 10 40 HHCB CCCCCOc1ccc(/C=C2/SC(=S)N(CC(=O)OC)C2=O)cc1OC 1766351 WQJYCMLQFVAWIC-LFIBNONCSA-N 409.529 3.638 10 40 HHCB CCN(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S 4745548 ISNWWZVUVKGDCL-GHRIWEEISA-N 400.525 3.920 10 40 HHCB COC(=O)c1sccc1S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1 9002284 GHNFTBVQZOGGEY-UHFFFAOYSA-N 401.465 3.567 10 40 HHCB COc1ccc2cc(/C=C3\SC(=S)N(c4ccccc4OC)C3=O)c(=O)[nH]c2c1 102719277 PCBHLBLOTNMEHH-ZDLGFXPLSA-N 424.503 3.951 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/c3cc(F)c(N4CCCC4)cc3C)C(=O)NC2=S)cc1 108220697 LHZSVRWPHPWCJP-LDADJPATSA-N 423.513 3.874 10 40 HHCB Cc1ccc(C)c(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1 408552687 USCUBYAKDHUKQS-LCYFTJDESA-N 403.866 3.840 10 40 HHCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C\c1ccccc1Sc1ccccc1 409396042 VQRIUZCNTAHNHD-JXAWBTAJSA-N 401.447 3.899 10 40 HHCB COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 13720773 GMLJXDAORQANNT-UHFFFAOYSA-N 423.425 3.952 10 40 HHCB COc1ccc(N2CCN(c3nc(C)c(Cc4ccccc4Cl)c(=O)[nH]3)CC2)cc1 18240697 UZVPWYDLUZNSEU-UHFFFAOYSA-N 424.932 3.658 10 40 HHCB CCOc1ncccc1CNC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 30307666 MGZYQGPIAOXJGQ-UHFFFAOYSA-N 407.470 3.589 10 40 HHCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 16488230 WEIRJAJBFSWMKW-OVCLIPMQSA-N 410.227 3.597 10 40 HHCB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S 54361136 MBEYOHPLTVUSAP-NIFLVVHWSA-N 407.476 3.657 10 40 HHCB CCC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 20139951 ZQXOJBYWDMONNS-QFIPXVFZSA-N 420.561 3.738 10 40 HHCB COc1ccc(N2CCN(C(=O)c3cc(-c4cccc(Cl)c4)nn3C)CC2)cc1 72402775 ZNBLOFAKEODZRJ-UHFFFAOYSA-N 410.905 3.712 10 40 HHCB O=C1c2ccccc2C(=O)c2c(/N=N\c3ccc(O)c(S(=O)(=O)O)c3)cccc21 104045365 CWSAPUYRNNXFMX-DQRAZIAOSA-N 408.391 3.830 10 40 HHCB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2cc(C)cc(C)c2)C1=O 409020710 SINPYWVVFIUIAQ-MHWRWJLKSA-N 400.887 3.797 10 40 HHCB O=Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 5552987 DGJGBXFGZRESJV-DHDCSXOGSA-N 402.884 3.699 10 40 HHCB CCOc1cccc(/C=C2\C(=O)N(c3cccc(OC)c3)C(C)=C2C(=O)OC)c1O 6964939 IWOBRXZFJITGFQ-PDGQHHTCSA-N 409.438 3.677 10 40 HHCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)cc3OC)N21 222691267 REWSSYDPRMTTMP-URZJWIJPSA-N 424.570 3.906 10 40 HHCB CCCCOCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1OC 224441455 HQQUGWRCDIHYNW-UHFFFAOYSA-N 412.530 3.983 10 40 HHCB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2C)C1=O 409210581 JRXLYJFWNHPEAA-BRFSQIRFSA-N 402.516 3.973 10 40 HHCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccn1-c1ccccc1 5595463 ROKASFPBXCLVPR-AQTBWJFISA-N 407.882 3.962 10 40 HHCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccc(F)cc1 41078332 SAESHPDBFCDVGX-LMMXRSGHSA-N 407.401 3.864 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)c1 409238697 FJCAFPDSICHSSD-CXUHLZMHSA-N 400.887 3.797 10 40 HHCB CCN(CC)Cc1ccc(CNC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 8724197 GRXGVVYPTGNVAM-UHFFFAOYSA-N 410.562 3.569 10 40 HHCB CCN1C(=O)/C(=C/c2ccc(OC)c(CSc3nccn3C)c2)SC1=S 8782490 IBLGEJAMZYEIIB-GDNBJRDFSA-N 405.570 3.942 10 40 HHCB Cc1cc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccccc1F 12536812 AIDDLCIEADIKBA-UHFFFAOYSA-N 404.445 3.742 10 40 HHCB COc1cc(/C=C2/C(=O)N(C(=O)c3ccc(Cl)cc3)N=C2C)cc(OC)c1OC 5842792 OIBGKDWRHLRRSB-CXUHLZMHSA-N 414.845 3.808 10 40 HHCB Cc1cc(N2CCOCC2)ccc1CN1CCC(c2ccc3c(C)nn(C)c3n2)CC1 19744653 DYSIKYYOTOROEL-UHFFFAOYSA-N 419.573 3.801 10 40 HHCB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(OC)c(OC)c3)S2)c(OC)c1 28296854 IFZSDOLHBSNOBY-VCHYOVAHSA-N 400.456 3.803 10 40 HHCB CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cnn(-c3ccccc3)n2)cc1 40069922 NQPSMGOKWJUHMC-UHFFFAOYSA-N 401.470 3.769 10 40 HHCB O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Cl)s1 408965460 HQZKOQJSOSFIHU-YRNVUSSQSA-N 411.664 3.830 10 40 HHCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 6348207 GNFDOYDCZVHVPY-SXGWCWSVSA-N 413.817 3.516 10 40 HHCB CC(=O)c1ccc(N2C(=O)/C(=C3/C(=O)N(C(C)=O)c4ccccc43)SC2=S)cc1 8821622 NLPOGKLCOMZPHZ-ZCXUNETKSA-N 422.487 3.558 10 40 HHCB Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@H](c2ccc(N(C)C)cc2)C1)CCC3 12296334 BGDZFIMTHYEKTL-SFHVURJKSA-N 403.482 3.800 10 40 HHCB biogenic Cc1c(N2C(=O)[C@H](C)S[C@H]2c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C 19926821 XUWZKKASJSDUSI-HJPURHCSSA-N 422.554 3.718 10 40 HHCB COc1ccc(N2CCN(C(=O)c3cnc(-c4ccc(F)cc4)nc3C)CC2)cc1 222584808 IPFGEIHPQSYQJD-UHFFFAOYSA-N 406.461 3.562 10 40 HHCB Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cn(CC(=O)O)c4ccccc34)C2=O)cc1 8997296 GPLGIAWFASZQDT-YVLHZVERSA-N 403.394 3.541 10 40 HHCB COc1ccc([C@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCS3)cc1 9369190 XXWNDHLYPSKIQB-LJQANCHMSA-N 420.352 3.628 10 40 HHCB COc1ccc(N2CCN(C(=O)c3ccc(Nc4nc(C)cc(C)n4)cc3)CC2)cc1 225913985 WHEQXTZWCRRUKQ-UHFFFAOYSA-N 417.513 3.808 10 40 HHCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)c1 409227126 PAXLHHMBXGMYLE-SFQUDFHCSA-N 423.513 3.874 10 40 HHCB Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)c(C)c1 4330774 FOCLPFOHGJQIJT-JOCHJYFZSA-N 422.573 3.570 10 40 HHCB Cc1cccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)n1 4676953 GQXDVIOMQLLHEY-CAOOACKPSA-N 413.568 3.839 10 40 HHCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S 9422225 BVFHCGTZCCBDAA-MKRLJBPISA-N 404.538 3.642 10 40 HHCB COc1ccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1OC 27530377 CUGTXKJHOOCVTP-LZYBPNLTSA-N 417.464 3.513 10 40 HHCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1cc(Br)ccc1O 33698948 BNIRHQRNPWCJAP-GDNBJRDFSA-N 406.276 3.770 10 40 HHCB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 408533489 SMVQTXKZWGNJKY-LCYFTJDESA-N 406.225 3.581 10 40 HHCB CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408799991 MLYMMNAHPQHDHY-GZTJUZNOSA-N 414.845 3.804 10 40 HHCB O=C1N=C(O)/C(=C/c2cccc(Br)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 16386111 YFCOZORGTQHFHB-ZSOIEALJSA-N 416.187 3.864 10 40 HHCB COc1cccc(-n2c(C)cc(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)c2C)c1 32612539 YYCMGQWTIBQNPV-UHFFFAOYSA-N 413.499 3.727 10 40 HHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC(C)C)cc3)C2=O)cc1 408894421 CJLWNNVVXCVCIA-ZHZULCJRSA-N 408.454 3.929 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)ccc1OC 409239474 NAKKWWRFIJLNDP-LFIBNONCSA-N 410.495 3.542 10 40 HHCB CCOc1ccccc1CN(C[C@@H](C)O)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 89271942 GVWXWQHJFGLVQL-YBHKSSGVSA-N 414.458 3.567 10 40 HHCB O=C1OC(c2cccc(Br)c2)=N/C1=C/c1ccc(N2CCOCC2)cc1 96019459 ZREPJPLVZMVVBL-LDADJPATSA-N 413.271 3.630 10 40 HHCB Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)c2C)c1 223575102 SIXNFIHGMGDNIR-FCHUYYIVSA-N 406.555 3.762 10 40 HHCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)o2)C(=O)NC1=S 409098445 QHPWKDJBFNIANX-SDNWHVSQSA-N 415.902 3.673 10 40 HHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1cccc(Cl)c1 409243114 YQPHVQDUEQFOQB-VXLYETTFSA-N 420.856 3.809 10 40 HHCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 6348229 PNUHNZOOZMOYRL-LGMDPLHJSA-N 415.486 3.718 10 40 HHCB Cc1cccc(C)c1NC(=O)CN1CCN(Cc2c(O)ccc3ccccc23)CC1 20665857 NGUKCYFKZZKFPZ-UHFFFAOYSA-N 403.526 3.919 10 40 HHCB O=C(NN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)c1ccccc1 33939612 KGFCKTYYPIEVED-GXDHUFHOSA-N 419.325 3.995 10 40 HHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O[C@@H](C)CC)cc2)C1=O 409220975 ISTUZEBEQOWMGT-JZBMNUFDSA-N 408.454 3.929 10 40 HHCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1C(=O)O 8820361 WQINZJPWDMGUTC-NPDFUIFFSA-N 424.503 3.781 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/NNc3cccc4ccccc34)C2=O)c(C)c1 16284850 ZQQMGZWZBFAIAC-AQTBWJFISA-N 400.438 3.540 10 40 HHCB Cc1ccncc1C1=CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 95943721 WYQMFJXIOOFYQI-UHFFFAOYSA-N 403.442 3.556 10 40 HHCB CCOc1ccccc1N/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1CC(=O)OC 112288070 CLVHJGJQFZTYLE-STZFKDTASA-N 411.433 3.876 10 40 HHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCCC)C2=O)cc1 408895264 DIMCHBRJRNKUKF-CYVLTUHYSA-N 408.454 3.931 10 40 HHCB NC(=O)Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21 409135469 RETXQFYIXXZWNY-UNOMPAQXSA-N 421.547 3.571 10 40 HHCB O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 6733363 GVKSHCBASMBUPR-UHFFFAOYSA-N 420.490 3.845 10 40 HHCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1 12593364 AMSZAGYHOYCHOM-UHFFFAOYSA-N 405.473 3.831 10 40 HHCB CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3CC4)c2C(=O)OC)C1 102345077 FPUNATGJXAZBLG-BCBCSNLJSA-N 417.527 3.901 10 40 HHCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O)Nc1ccccc1 106701286 BEBGNTQKSJDQOR-RGEXLXHISA-N 407.495 3.962 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1O 1178005 FWUAELYCXUJHCU-NTEUORMPSA-N 414.845 3.673 10 40 HHCB CC[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(=O)OC)C1 3864255 XXEHSBZPOHEQAK-WYEAJDFLSA-N 403.500 3.511 10 40 HHCB COc1ccc(N2C(=O)/C(=C\c3ccccc3OCC(=O)O)SC2=S)cc1 4746597 NCPKXJMRPPUMDB-MHWRWJLKSA-N 401.465 3.564 10 40 HHCB COc1ccc(N2C(=O)/C(=C/c3ccc(C(=O)O)cc3)SC2=S)c(OC)c1 5371695 ZUPFTIRFEHCOKS-SXGWCWSVSA-N 401.465 3.808 10 40 HHCB CCOC(=O)Cn1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c2ccccc21 5947929 QNSJWESXHAHWQI-LDADJPATSA-N 423.469 3.839 10 40 HHCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COc2ccc(Cl)cc2)cc1 6747926 LZZKRAOLSZYSRI-NRFANRHFSA-N 402.922 3.993 10 40 HHCB COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(OC)c(Br)c2)c1 16215353 WOKOSVFHLFLZEO-UHFFFAOYSA-N 421.291 3.555 10 40 HHCB CCCCCCN1C(=O)/C(=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)c2ccccc21 26510004 SMPXSDQEEBMCBW-KXEGMRRWSA-N 418.540 3.658 10 40 HHCB CCN(CC)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(C)=O)cc1 55112344 XOWSUJVGLNYDSE-GGAORHGYSA-N 405.498 3.961 10 40 HHCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3c[nH]c4ccccc34)C2=O)c1 408856703 LEIHMFMCMIEBAY-GZTJUZNOSA-N 419.437 3.632 10 40 HHCB CN(C)c1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1Br 409234541 NOSNXGDOLJHIJK-LFIBNONCSA-N 400.276 3.608 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(OCC)c1 409239441 MTMVZYULJKFYPB-SFQUDFHCSA-N 410.495 3.624 10 40 HHCB CCCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)O)SC1=S 409352666 XTGKDADBCIXVQI-GHXNOFRVSA-N 416.318 3.524 10 40 HHCB O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccc(O)cc1 1011244 SSMTYDGKLCBNRV-WJDWOHSUSA-N 402.472 3.761 10 40 HHCB COc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1Br 10907476 HUGONODDZCVHSF-UHFFFAOYSA-N 419.319 3.567 10 40 HHCB COc1ccc(N2CCN(C[C@H](O)COc3ccc(-c4ccccc4)cc3)CC2)cc1 19909305 XBHJRCVZFYGKFD-DEOSSOPVSA-N 418.537 3.924 10 40 HHCB COc1ccc([C@H](c2ccc3c(OC)cccc3c2O)N2CCN(C)CC2)cc1OC 20647536 NZGNRGKEHRTWHZ-XMMPIXPASA-N 422.525 3.908 10 40 HHCB COc1ccc(N2CCN(C(=O)C3CCN(Cc4ccccc4C)CC3)CC2)cc1 39763829 CITZGBXPWLXBQI-UHFFFAOYSA-N 407.558 3.564 10 40 HHCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1c[nH]n2c(=O)c3ccccc3nc12 100958857 DPEMVULFBUEHDI-RQZCQDPDSA-N 403.829 3.635 10 40 HHCB COc1cc(CC[C@H](CCCCc2ccc(O)c(O)c2)OC(C)=O)cc(O)c1O 225461709 ISMTYWQWKQRTNM-KRWDZBQOSA-N 404.459 3.795 10 40 HHCB biogenic,in-vitro O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl 409214337 XAXFCPSSATZUAK-WDZFZDKYSA-N 406.181 3.568 10 40 HHCB CN(C)c1ccc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 15015251 LRACLWPYFCTBOB-PGMHBOJBSA-N 406.555 3.541 10 40 HHCB COc1ccc(OC)c(N/C=C2\C(=O)N=C(S)N(CCC3=CCCCC3)C2=O)c1 103127154 SQGHMBKKPADZJW-DTQAZKPQSA-N 415.515 3.545 10 40 HHCB O=C1CCCN1c1ccc(NC(=S)NCCCN2CCCc3ccccc32)cc1 225746508 ZSQZPOCWHYESSG-UHFFFAOYSA-N 408.571 3.943 10 40 HHCB CC1=NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)n(C)c(=O)n2C 16160962 MVJHBVJONNGURR-SOFYXZRVSA-N 415.280 3.990 10 40 HHCB C[C@H]1CCCN(Cc2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)C1 22510120 NRMOPGFHZHASPU-FQEVSTJZSA-N 407.558 3.685 10 40 HHCB COc1ccc(NC2(NC(=O)c3cccc(Cl)c3)C(=O)c3ccccc3C2=O)cc1 226297845 ZBNPJHDMAJKOJX-UHFFFAOYSA-N 420.852 3.966 10 40 HHCB O=C1NC(=O)C(=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)C(=O)N1 408801073 SLFBTMAAQRQVMO-UHFFFAOYSA-N 406.825 3.822 10 40 HHCB CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3F)C(=O)NC2=S)cc1 409376561 ZIXCFNQSKTUIIS-CPNJWEJPSA-N 423.513 3.820 10 40 HHCB COC(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)cc1 5575853 JGXMVELAPXVYQB-BOPFTXTBSA-N 414.259 3.954 10 40 HHCB CNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C2CCCCC2)C1=O 13552007 WZVDAUZEDQARBI-PTNGSMBKSA-N 414.556 3.579 10 40 HHCB Cc1cc(C(=O)NCc2ccnc(N3CCOCC3)c2)c(C)n1-c1cccc(Cl)c1 48345945 JBTAAPPZWYZAOD-UHFFFAOYSA-N 424.932 3.909 10 40 HHCB COc1ccc(N2CCN([C@H](CNC(=O)c3ccccc3)c3ccco3)CC2)cc1 56946265 OFEBWIIBUKGMOA-JOCHJYFZSA-N 405.498 3.582 10 40 HHCB COc1cc(N2CCOCC2)ccc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222608184 UQMGUZKDCXJUIC-JHVJFLLYSA-N 410.543 3.516 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(C)C 408987531 FOZRJRWFHOTFDJ-LDADJPATSA-N 424.522 3.951 10 40 HHCB COc1ccc(CCNC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 3391245 HETAQLQKKHXYBG-UHFFFAOYSA-N 406.482 3.618 10 40 HHCB C[C@@H]1Cc2cc(/C=C3/SC(N4CCN(Cc5ccccc5)CC4)=NC3=O)ccc2O1 20517457 PGECTNTVYQCOLK-HRKXOBMBSA-N 419.550 3.798 10 40 HHCB CC1CCN(Cc2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)CC1 38753451 IKSKRAQWBITPRT-UHFFFAOYSA-N 407.558 3.685 10 40 HHCB CCN(CC)c1ccc(N/C=C2/C(=O)N(c3cccc(OC)c3)C(=O)N=C2O)cc1 103102980 PKSOCWXMKVPRCA-XMHGGMMESA-N 408.458 3.961 10 40 HHCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(C)c(C)c1 112127279 UCDSJJFKMUOYQO-JWGURIENSA-N 407.470 3.964 10 40 HHCB C/C(=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1)N1CCOCC1 4181572 HAWZVLQBIMYAJA-CYVLTUHYSA-N 404.495 3.653 10 40 HHCB CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)cc1 4749127 USVYQDFFOGJTFD-JCMHNJIXSA-N 401.466 3.954 10 40 HHCB COc1ccc(CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(OC)c1OC 12564241 SVQSJRUFXLAVJK-UHFFFAOYSA-N 412.530 3.904 10 40 HHCB C[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)/C(=C\c2cccs2)SC1=S 28296861 YJGBYGGSHMXIAM-RSYJBZMQSA-N 418.521 3.675 10 40 HHCB CC[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C(=O)O)c2C(=O)OC)C1 225773928 FPUNATGJXAZBLG-ZWRJDUBHSA-N 417.527 3.901 10 40 HHCB COc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC)c3ccccc23)C1=O 1192512 LGSUDYMGQCCVLQ-GHRIWEEISA-N 402.406 3.523 10 40 HHCB COc1ccc(CCN2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1OC 5371206 PWQVLENRJQUGBB-PDGQHHTCSA-N 401.509 3.853 10 40 HHCB COc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)c(OC)c1 32707949 CTSOEWGWMBLTBK-FRKPEAEDSA-N 417.464 3.513 10 40 HHCB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)o2)cc1 409204185 CXFPOTRCJSDUCY-AQTBWJFISA-N 422.437 3.528 10 40 HHCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(Br)s2)C(=O)NC1=S 409239738 DSONWSOSISHCSO-DHZHZOJOSA-N 407.314 3.650 10 40 HHCB COc1cccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1OCC(=O)O 409342710 DWRUUSXNMHWPDX-XNTDXEJSSA-N 401.465 3.564 10 40 HHCB Cc1cc2oc(=O)c3c(c2c(O)c1CN(C)C[C@@H]1CCCN2CCCC[C@@H]12)CCC3 1565520293 QKDKWEFQOMEWTO-UWJYYQICSA-N 410.558 3.992 10 40 HHCB biogenic Cc1cc(Br)c(O)c([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 1756437 NXDQHZDLIIEYSV-NVXWUHKLSA-N 401.260 3.633 10 40 HHCB biogenic COCCCN/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccc(OC)cc1 9730721 WZJPDCVZOOFWAV-SAPNQHFASA-N 422.510 3.566 10 40 HHCB CC[C@H](Nc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])c1ccccc1O 72277403 MWLQNLYQCNODOM-INIZCTEOSA-N 407.492 3.894 10 40 HHCB O=C1C[C@H](c2ccco2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 96113816 XCHKXUQHUJHQBK-LLVKDONJSA-N 406.346 3.611 10 40 HHCB biogenic CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(C(=O)O)cc1[N+](=O)[O-] 101150114 GECHTFRVUIZVIP-NTEUORMPSA-N 400.778 3.665 10 40 HHCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(N2CCCCCC2)o1 408917935 CWWHHUNQSLINML-LGMDPLHJSA-N 413.474 3.630 10 40 HHCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 409229535 QRFAQPAGHZHLLO-WYMLVPIESA-N 415.902 3.755 10 40 HHCB COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)O)SC2=S)cc1 1895209 NCPKXJMRPPUMDB-YBEGLDIGSA-N 401.465 3.564 10 40 HHCB Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(N(C)C)cc4)S3)CC2)cc1 12378262 BCVBCFCKTBWORD-LTGZKZEYSA-N 406.555 3.854 10 40 HHCB CN1CCN(c2ccc(CNC(=O)c3ccccc3OCc3ccccc3)cc2)CC1 218989022 NAKSOAQKNJNTCK-UHFFFAOYSA-N 415.537 3.947 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccn4)c3C)C2=O)cc1C 409239421 PWRQJXDAIRRTAT-DEDYPNTBSA-N 414.465 3.772 10 40 HHCB COc1ccc(Br)cc1/C=C1\SC(N2C[C@H](C)O[C@H](C)C2)=NC1=O 13784873 LZWXPMSBQBHKEF-FQQAPMKESA-N 411.321 3.537 10 40 HHCB O=C(N/C=C1\C(=O)N(c2cccc(Cl)c2)C(=O)N=C1O)Nc1ccc(F)cc1 16398886 HIKGNZOMKODKQO-ZROIWOOFSA-N 402.769 3.608 10 40 HHCB Cc1noc(C)c1CCc1cc(O)n2ncc(C(=O)Nc3ccc(Cl)cc3)c2n1 19580896 REVIQWZOEUPJAB-UHFFFAOYSA-N 411.849 3.731 10 40 HHCB CCCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@@H](C)C2 4613979 IVFLOMBMZSYNAC-YEJOONJESA-N 417.527 3.901 10 40 HHCB O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1C(=O)c1cccnc1 5568424 SPPUMQRIHUDNNT-JYRVWZFOSA-N 405.298 3.886 10 40 HHCB Cc1cc2ncn(CCC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c2cc1C 19661151 MUTLAWCTXAMSRO-LJQANCHMSA-N 406.530 3.757 10 40 HHCB CCOc1ccccc1Oc1c(C)oc2c(CN3CCN(C)CC3)c(O)ccc2c1=O 20358396 HPIBSZFABLCXJB-UHFFFAOYSA-N 424.497 3.745 10 40 HHCB biogenic CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C 42889720 NVJJSDYPFZXQGJ-UHFFFAOYSA-N 418.902 3.930 10 40 HHCB COc1ccc(N2CCN(C[C@@H](O)CO[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)CC2)cc1 55501561 YXWLUFJYUXOUAJ-WDWDUUAGSA-N 404.595 3.656 10 40 HHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccnc4)c3C)C2=O)c1 408775414 SNQNGHNLXGVGCL-CIAFOILYSA-N 414.465 3.772 10 40 HHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC(C)C)c(OC)c2)C1=O 408883892 SDMYWQHLZAWVFP-ATVHPVEESA-N 408.454 3.711 10 40 HHCB CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCC)cc3)C2=O)cc1 408901594 ZADJQBKBDKJQEB-HKWRFOASSA-N 408.454 3.931 10 40 HHCB COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)ccc1O 3858716 HTGLBBROXDOAMY-TVQOXHERSA-N 412.858 3.722 10 40 HHCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(Br)ccc1O 14414316 IISHVBYHEROHGO-DHDCSXOGSA-N 418.243 3.621 10 40 HHCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cc(Cl)ccc1O 4263485 QUOVEQMTIPDMOL-NTEUORMPSA-N 408.888 3.869 10 40 HHCB Cn1c(/C=C2/SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)nc2ccccc21 5235995 HQRZUPPYOQNWIH-LFIBNONCSA-N 409.492 3.606 10 40 HHCB CN(C)c1ccc(/C=C2\NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 17166931 APQZEHDCJKKXNG-WJDWOHSUSA-N 402.317 3.777 10 40 HHCB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCC3)c3ccccc23)SC1=S 409124648 JZWOJJLRBCDFFE-PDGQHHTCSA-N 413.568 3.875 10 40 HHCB CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@@H]1c1ccc(N(C)C)cc1 1097699 DIKKTSHMADGVDR-OAQYLSRUSA-N 421.522 3.713 10 40 HHCB O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 71824358 JVGCIUUGPIEYQX-QMHKHESXSA-N 409.507 3.576 10 40 HHCB CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCC2 101940852 GIEMGXFJMDURAZ-APYUEPQZSA-N 403.500 3.654 10 40 HHCB O=C1NC(=O)C(=Cc2ccc(OCc3cccc4ccccc34)c(Cl)c2)C(=O)N1 408799876 IWXRRAUGWHQCTF-UHFFFAOYSA-N 406.825 3.822 10 40 HHCB COc1ccc(CCC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8963243 ACFJRNGHEIOIAQ-XMMPIXPASA-N 407.558 3.573 10 40 HHCB CC(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1 22665789 ZXRKICSMZINUJP-QHCPKHFHSA-N 412.553 3.527 10 40 HHCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OC(C)C 409403695 AQSCPZJSCIAGKV-YBEGLDIGSA-N 400.862 3.987 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)s3)C(=O)NC2=S)c(C)c1 664705 PUSRREHSLFSXRR-XYOKQWHBSA-N 421.341 3.959 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([C@H](C)CC)cc3)C2=O)ccc1O 2236597 HHBWYUJXLBEUPU-CRRKTRLDSA-N 408.454 3.971 10 40 HHCB O=C(CSc1nc(-c2ccccc2)cs1)NC1=NN(c2ccccc2)C(=O)C1 4668952 AQJPMTQXDVJMLH-UHFFFAOYSA-N 408.508 3.769 10 40 HHCB CN(C)c1ccc(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(Cl)s2)cc1 7988468 OSIPRUMTLNHLKW-MRXNPFEDSA-N 414.980 3.837 10 40 HHCB COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 12631850 UMAYFXITSVITQA-OAHLLOKOSA-N 423.435 3.743 10 40 HHCB CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1 35507670 BXBQLZVOLFSPHE-LJQANCHMSA-N 408.893 3.925 10 40 HHCB CC[C@@H](C)n1nc(-c2ccc(N3CCN(c4ccc(OC)cc4)CC3)cc2)[nH]c1=O 64220072 YJDVJBBIKKKAST-QGZVFWFLSA-N 407.518 3.545 10 40 HHCB CC(C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 409399638 LABUTDQMPBFXBU-GDNBJRDFSA-N 401.260 3.698 10 40 HHCB COc1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)c(OC)c1 13122459 QLPGPHPPKQZNJY-RNIVLKNTSA-N 415.492 3.731 10 40 HHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(O)cc1 223618248 YFGWCIMWUMJGIC-VXKWHMMOSA-N 422.554 3.550 10 40 HHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCCC4)c(C)c3)C2=O)c1 408857293 NMOBMQIYBZNDCJ-ZHZULCJRSA-N 403.482 3.878 10 40 HHCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12 409246022 CQIORQOOQWESDQ-FYJGNVAPSA-N 422.444 3.751 10 40 HHCB CNc1ccc(NS(=O)(=O)c2ccc(C)cc2)c2c1C(=O)c1ccccc1C2=O 3991732 XGCBDYIDWHSDMP-UHFFFAOYSA-N 406.463 3.613 10 40 HHCB O=C1c2ccccc2C(=O)c2c1ccc1c(=O)n(-c3cccc([N+](=O)[O-])c3)sc21 4573534 KCNLFUHAEWMDPW-UHFFFAOYSA-N 402.387 3.736 10 40 HHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C 223010630 IYXQAEFCGZHDAW-FCHUYYIVSA-N 422.554 3.814 10 40 HHCB CC[C@@H](C)Oc1ccccc1/C=C1/C(=O)N(CCOC)C(=O)N(c2ccccc2)C1=O 409010484 FDBYUDITXPBOQN-XUMLYMLNSA-N 422.481 3.889 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OCC 409131239 MPWKHDYQKZDOPX-SFQUDFHCSA-N 424.522 3.932 10 40 HHCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3COc4ccccc4O3)c2C)cc1 6546645 JRUCDGBNKLOONR-HSZRJFAPSA-N 405.450 3.968 10 40 HHCB O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1CCN1CCOCC1 12901123 DWVFUIFAAMOOQO-RAXLEYEMSA-N 403.356 3.527 10 40 HHCB COc1cc(/C=C2\SC(=S)N(CNc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 13398542 TVXYHMVWYVHVKI-SXGWCWSVSA-N 417.468 3.580 10 40 HHCB CN1C(=O)N=C(O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 32107167 OKJIIXNCCUXFRS-YRNVUSSQSA-N 420.175 3.549 10 40 HHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C 223010302 FACUSZHNCFEIQC-YADHBBJMSA-N 422.554 3.814 10 40 HHCB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1C 223824849 AGYRQHYABWBRMX-UHFFFAOYSA-N 409.463 3.813 10 40 HHCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC(C)C)C2=O)cc1OCC 27563081 SPEWEMRGTJQUHP-YBEGLDIGSA-N 409.529 3.637 10 40 HHCB CC(C)Oc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33655059 JZWJCOWQGFDPGC-WJDWOHSUSA-N 401.260 3.698 10 40 HHCB CCCc1nnc(N/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)s1 100163539 VSFCCPCRCHNUQT-UKTHLTGXSA-N 406.309 3.972 10 40 HHCB Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1 106782814 FIYQBTPWWFONRV-PGMHBOJBSA-N 424.522 3.947 10 40 HHCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 408893925 OMYPLCPMPRSPQL-UVTDQMKNSA-N 412.373 3.620 10 40 HHCB COc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 1236346 LIEPJWBDBNASDH-GDNBJRDFSA-N 404.900 3.895 10 40 HHCB COC(=O)CCCCCN1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S 1768452 YSZJLMFRYFEEDS-VBKFSLOCSA-N 409.529 3.638 10 40 HHCB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1c(O)ccc2ccccc12 13008200 VKJDVHHYOYJLHW-INIZCTEOSA-N 403.482 3.741 10 40 HHCB CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1Cl 22525436 FXXFFDIMXNTODX-UHFFFAOYSA-N 421.950 3.632 10 40 HHCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 59489867 CUDDBWIRCPDGMZ-UHFFFAOYSA-N 400.431 3.729 10 40 HHCB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1O 409338241 GKNYQHHKEKTCGL-OQLLNIDSSA-N 420.899 3.600 10 40 HHCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 682720 XEYWPINCRPAIHE-GZTJUZNOSA-N 409.785 3.970 10 40 HHCB Cc1sc2nc(/C(=C\c3ccc(N(C)C)cc3)C(=O)N3CCCC3)[nH]c(=O)c2c1C 7502983 ORVVXARWHIVTLV-QGOAFFKASA-N 422.554 3.830 10 40 HHCB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccccc2)SC1=S 256055867 WROKJZKDERPCTB-SKQHNDAPSA-N 412.536 3.975 10 40 HHCB CN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1 5373370 TVRFIKDRCUJQPJ-SXGWCWSVSA-N 400.481 3.562 10 40 HHCB CCOc1ccc(CC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1 16838216 UFFCIHAXOIITPT-VWLOTQADSA-N 421.585 3.964 10 40 HHCB COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 33784594 OPOAAFSRRHOXCR-GHXNOFRVSA-N 407.651 3.573 10 40 HHCB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)c3ccccc3C(=O)[C@H]12 45071203 VOPXBRBTYQNZFZ-RPCZKNTGSA-N 422.091 3.959 10 40 HHCB COc1ccc(/C=C2/SC(Nc3ccc(OC)cc3OC)=NC2=O)c(OC)c1 6570862 FWJPYZSXMCSWNU-GIJQJNRQSA-N 400.456 3.803 10 40 HHCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C 223043231 UTSYFGCVEUADHF-VXKWHMMOSA-N 421.570 3.893 10 40 HHCB CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C(=O)O)c2C(=O)OC)C1 225773855 FPUNATGJXAZBLG-XRQSXFTLSA-N 417.527 3.901 10 40 HHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCCCC3)o2)C1=O 409230670 FFUDJZIGEFUHTN-BMRADRMJSA-N 423.469 3.725 10 40 HHCB Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)o1 409392786 NQSUDPVZFVQZCD-GZTJUZNOSA-N 407.813 3.970 10 40 HHCB CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cccc1OC 4783832 VJHYYRKZXMLMIX-DLRWLJPMSA-N 400.475 3.667 10 40 HHCB CCN(CC)c1ccc(CNS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1 223589877 PMIBCPPSQVJSDY-UHFFFAOYSA-N 402.560 3.899 10 40 HHCB O=C1NC(=S)NC(=O)C1=Cc1c(Cc2ccccc2Cl)ccc2ccccc12 408885028 WRWPEUNXHQWQQX-UHFFFAOYSA-N 406.894 3.998 10 40 HHCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3O)C2=O)cc1 408900085 RKYFMYMHYAQRKV-ATVHPVEESA-N 414.845 3.891 10 40 HHCB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409215705 ACQNUMPNWSXRLP-RIYZIHGNSA-N 403.441 3.670 10 40 HHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)o1 409229628 SBAZJXIHNVDYMQ-RVDMUPIBSA-N 417.918 3.919 10 40 HHCB O=c1ccc2ccc(O)c(CN3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@@H]56)[C@@H]43)c2o1 526052531 MJNBWCXFQYNSNU-FPRSRYDQSA-N 406.526 3.894 10 40 HHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Br)cc1 4704568 UXSCSTDVMAJAIY-NTEUORMPSA-N 405.635 3.769 10 40 HHCB COc1cc(OC)c([C@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3O)=NN2)cc1OC 12323318 LSKTVLTWTMJZKO-CQSZACIVSA-N 424.453 3.580 10 40 HHCB Cn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)ccc21 223282727 BLHAMKHJMPXTGC-UHFFFAOYSA-N 421.887 3.709 10 40 HHCB O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1CCCN1CCOCC1 14197679 WYQITRFLESCBQL-KAMYIIQDSA-N 417.383 3.917 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(OCc2cccnc2)cc1 23129467 JYSIOJBYVOMGRR-UHFFFAOYSA-N 417.509 3.769 10 40 HHCB CCOc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(F)cc32)cc1 48988617 JBZRYNPCBADLOI-UHFFFAOYSA-N 416.474 3.614 10 40 HHCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 1752402 ZQXBDDSSNSIQTE-ZHZULCJRSA-N 422.437 3.519 10 40 HHCB Cc1cccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)c1 49003894 GEINGURYWQPZBR-UHFFFAOYSA-N 400.475 3.913 10 40 HHCB COc1cc2c(cc1S(=O)(=O)NCc1ccc(N3CCCC3)cc1)CCCC2 225855911 VIKIZWAXMGKPFM-UHFFFAOYSA-N 400.544 3.653 10 40 HHCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)C(C(=O)OC)=C2C)cc1 408799622 ZYEMTGUSBQWDSS-UYRXBGFRSA-N 423.465 3.980 10 40 HHCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 408990741 YKHZQCADKOAKJX-UNOMPAQXSA-N 407.466 3.885 10 40 HHCB CC(C)OC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1276525 RXHNGFMVSRZKHY-GHXNOFRVSA-N 400.319 3.602 10 40 HHCB C[C@H](NC(=O)CCc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(N2CCCCC2)cc1 19714241 QGAVZRLEHZVXAY-SFHVURJKSA-N 420.557 3.677 10 40 HHCB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)nc1 223623455 NLPLDHDHCJFLIU-YADHBBJMSA-N 421.570 3.547 10 40 HHCB C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21 409125007 IPCRECSVSICMCL-DZBQEORWSA-N 413.568 3.873 10 40 HHCB C[C@@H](Nc1ccc(Nc2ccccc2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9613690 FIMPXCVNTWWTNQ-OAHLLOKOSA-N 410.499 3.517 10 40 HHCB COc1ccc(N2CCN(C(=O)CCN3CC=C(c4ccccc4)CC3)CC2)cc1 32776716 GKTBGGCABRZMHP-UHFFFAOYSA-N 405.542 3.523 10 40 HHCB CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(CC)cc2)C1=O 408799846 IIUZNJVQSBTHHD-CPNJWEJPSA-N 408.454 3.713 10 40 HHCB CCc1nccn1Cc1cc(CNC[C@@H](O)COc2ccc(C)cc2C)ccc1OC 585292186 FQYNHEPXBKBXED-JOCHJYFZSA-N 423.557 3.649 10 40 HHCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 4083669 STGPBSRWZANORQ-UHFFFAOYSA-N 409.555 3.990 10 40 HHCB COc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)cc(OC)c1Br 58322861 NCHXBRCZYIKARB-UHFFFAOYSA-N 419.319 3.779 10 40 HHCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@@H](C)C2 4611976 SZFXIWSPFITWIU-POPZOMSYSA-N 403.500 3.511 10 40 HHCB CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 5373876 JOEKMCMKTOQUPK-FZOIYJTDSA-N 404.307 3.743 10 40 HHCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC 6354824 IVJSWWGGJRQEOI-NTEUORMPSA-N 414.845 3.722 10 40 HHCB Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)O)cc3)C(O)=NC2=S)c1 17194837 JVWBRFXQMKNNSY-DZBQEORWSA-N 424.478 3.827 10 40 HHCB COc1cccc(C(=O)O)c1OCC(=O)N(Cc1ccccc1)Cc1ccccc1O 257228573 FUJFNUOKWPDTQC-UHFFFAOYSA-N 421.449 3.707 10 40 HHCB O=C(Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1)N1CCCCCC1 408597960 WZTDDDCUHVQWBY-UHFFFAOYSA-N 417.487 3.624 10 40 HHCB Cc1cc(C(=O)COc2c(CO)cc(F)cc2CO)c(C)n1-c1ccccc1F 12522367 NROSUZYJEQABAP-UHFFFAOYSA-N 401.409 3.619 10 40 HHCB COC(=O)c1cc2ccccc2c(CN2CCC(C(=O)N3CCCCCC3)CC2)c1O 16877113 FVZVECOUKUAELQ-UHFFFAOYSA-N 424.541 3.947 10 40 HHCB COc1ccc(N2CCOCC2)c(NC(=O)c2cc(Br)ccc2OC)c1 20529003 RYAQOBKDELITLP-UHFFFAOYSA-N 421.291 3.555 10 40 HHCB COc1ccc(N2CCN(C(=O)c3cc(=O)c4cc(Cl)c(C)cc4o3)CC2)cc1 27749776 YXOMDRVDIPRHEO-UHFFFAOYSA-N 412.873 3.726 10 40 HHCB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 217035455 GFIUKXPYTPRHTL-NRFANRHFSA-N 401.938 3.566 10 40 HHCB O=C(NN1C(=O)/C(=C\c2ccco2)SC1=S)c1ccc(Br)cc1 1811435 FANSLGGBAXLDJW-XYOKQWHBSA-N 409.286 3.588 10 40 HHCB CN(C)c1ccc(/C=C2/SC(=S)N(C(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 5333895 IQGVYZGYYYZMNJ-LFIBNONCSA-N 413.480 3.702 10 40 HHCB Cc1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)cc1C 5443055 IFUASAXSTZENKM-XDHOZWIPSA-N 402.406 3.723 10 40 HHCB Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/c3cccs3)C2=O)cc1C 6188664 XPYAVFVMFGJOCE-WQLSENKSSA-N 405.273 3.794 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(F)cc1Br 10907495 DXHGFMVIQHMKQM-UHFFFAOYSA-N 407.283 3.697 10 40 HHCB CCOc1cccc(CN2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)c1O 19520005 ZEIUBHUBIXCVDI-UHFFFAOYSA-N 421.423 3.627 10 40 HHCB CN1C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N(C)C1=S 59139711 VCPKODMGXQTVNG-UHFFFAOYSA-N 423.925 3.942 10 40 HHCB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O 408817057 SUSYKDPKSITJQW-UKTHLTGXSA-N 405.237 3.977 10 40 HHCB O=S(=O)(c1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc1)N1CCOCC1 5864044 MUYWCFYXDHYKRC-DXIQSLLYSA-N 414.502 3.673 10 40 HHCB CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 6159290 FMCSJYCRFSMLCS-OZMIJRPQSA-N 411.462 3.809 10 40 HHCB COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(C)c(C)c4)C3=O)o2)c1 17146068 DERQLWVPWRZIBV-MOSHPQCFSA-N 416.433 3.811 10 40 HHCB COC(=O)C1=CN(c2ccc(OC(F)(F)F)cc2)c2ccc(F)cc2S1(=O)=O 64979259 MAIYRUGOXUQZFJ-UHFFFAOYSA-N 417.336 3.664 10 40 HHCB CC1=NN(c2ccc3nnc(C(F)(F)F)n3n2)C(=O)/C1=C/Nc1cccc(Cl)c1 101654771 JPOMGMRLJUVJKV-XYOKQWHBSA-N 421.770 3.515 10 40 HHCB O=C1/C(=C/NCc2ccc(F)cc2)C(C(F)(F)F)=NN1c1ccc([N+](=O)[O-])cc1 105370371 CYNLHCQJLNIWCP-XNTDXEJSSA-N 408.311 3.673 10 40 HHCB CCCCNC(=O)CCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 5376039 BODZACSTPPJXET-LGMDPLHJSA-N 422.572 3.602 10 40 HHCB O=C(NN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S)c1ccccc1Cl 8670775 FJBRGFRNOVFDBP-ZROIWOOFSA-N 414.899 3.763 10 40 HHCB O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc2nonc12 13575243 PHSVEFCRNVNMGD-UKTHLTGXSA-N 416.509 3.514 10 40 HHCB COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(OC)c1O 96504985 LQCRHKAWFAKQRP-GZTJUZNOSA-N 416.524 3.881 10 40 HHCB COc1ccc(CCN2C(=O)/C(=C\c3ccc(O)c(OC)c3)SC2=S)cc1 102803433 YSMIZFLAQUHFGC-LDADJPATSA-N 401.509 3.853 10 40 HHCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 408891722 CCPVMFFVUFSERE-BOPFTXTBSA-N 408.410 3.789 10 40 HHCB COc1cc(N2CCCCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(F)cc2)C1=O 409246183 GCOUWDKNEXWZJU-MOSHPQCFSA-N 409.461 3.918 10 40 HHCB O=C(NN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)c1ccc([N+](=O)[O-])cc1 1230948 HCNIREQWHALJHG-ZROIWOOFSA-N 419.871 3.794 10 40 HHCB COc1ccc(OC)c(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)c1 3248335 NBCNTXDQXPJGLO-UHFFFAOYSA-N 408.454 3.907 10 40 HHCB Cc1cc(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1 3249023 KCQCSLDMLHFPJT-UHFFFAOYSA-N 411.389 3.937 10 40 HHCB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)Nc1ccccc1 7155201 HNQPOWZUTFVSHP-BOPFTXTBSA-N 414.508 3.592 10 40 HHCB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@H]2C1=O 100901326 VXCHZEGCOJVBAY-VSKRKVRLSA-N 400.434 3.752 10 40 HHCB CCOC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3ccccc3)N=C2CC(=O)OC)cc1 112289412 RFRAFPOJHWTGAW-QNGOZBTKSA-N 421.453 3.515 10 40 HHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)c(Cl)c3)C2=O)cc1 408813356 UBZYQXBLLPFYKX-MHWRWJLKSA-N 414.845 3.802 10 40 HHCB CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC 408985095 VEJHNVGZSWVCOV-DHDCSXOGSA-N 414.845 3.722 10 40 HHCB CN1C(=O)/C(=C/c2cn(CC(=O)NCc3ccccc3)c3ccccc23)SC1=S 409149134 XWXBAUHUAMLOAI-ODLFYWEKSA-N 421.547 3.789 10 40 HHCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)OCC(C)C)C1=O 409215979 CRDMZKVZBZCWLV-WOJGMQOQSA-N 402.516 3.831 10 40 HHCB COc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 409243234 QVMYUHRFAIEMMO-NTEUORMPSA-N 406.385 3.545 10 40 HHCB COc1ccccc1N1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S 409349082 ULQDCQQYTMIZEK-OQLLNIDSSA-N 418.452 3.723 10 40 HHCB COc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S 5234198 JTQGJJGXYTYPKC-FOWTUZBSSA-N 402.497 3.908 10 40 HHCB CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 5237272 BIOCYRHCKZLLIR-SSZFMOIBSA-N 421.540 3.798 10 40 HHCB O=C(N1CCCN(c2ccc3c(c2)OCCO3)CC1)C1(c2ccc(Cl)cc2)CC1 12143950 VORGUHFYFJCECZ-UHFFFAOYSA-N 412.917 3.882 10 40 HHCB COc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)cc3)C2=O)c(OC)cc1Cl 408789465 LEACZSOWLWGOSK-KPKJPENVSA-N 421.236 3.677 10 40 HHCB COc1ccc(N2CCN(C(=O)COC(=O)C3CCC(C(C)(C)C)CC3)CC2)cc1 6365894 HGHLCUBZRISTDP-UHFFFAOYSA-N 416.562 3.740 10 40 HHCB Cc1cc(CCNc2nc3ccccn3c(=O)c2[N+](=O)[O-])c(C)n1-c1ccccc1 12588599 UHTDSROOGPYJIZ-UHFFFAOYSA-N 403.442 3.665 10 40 HHCB O=C(NCCCOc1ccc(Cl)cc1Cl)NCc1cc([N+](=O)[O-])ccc1O 69352120 GBBRZGIIIWIUND-UHFFFAOYSA-N 414.245 3.876 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl 408819571 XURDAZMBHXUART-NTUHNPAUSA-N 405.237 3.977 10 40 HHCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1C 408965781 LXLIUZZCILAABN-DEDYPNTBSA-N 403.413 3.900 10 40 HHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 409073027 UPAINEMNVVGIBZ-LFIBNONCSA-N 413.836 3.746 10 40 HHCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccn4)c3C)C2=O)cc1 409235162 YTTVTMTXDVGCRJ-XSFVSMFZSA-N 414.465 3.718 10 40 HHCB O=C1NC(=S)N=C(O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 2726779 OUXJRZSCLQMKFV-UHFFFAOYSA-N 412.210 3.916 10 40 HHCB COc1ccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1 3355105 LNRXXLMVQODWAB-UHFFFAOYSA-N 401.315 3.513 10 40 HHCB O=C(O)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S 3640309 QFQDHIXYDLKLMU-GZTJUZNOSA-N 421.503 3.825 10 40 HHCB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@@H]3C2=O)c1 4955998 LHCMQUIDDUZMNR-BDTNDASRSA-N 400.434 3.752 10 40 HHCB COc1cc(OC)c(OC)cc1C[C@H]1SC(=S)N(Cc2ccc(C)cc2)C1=O 8372399 DNUGRBOONKXTIB-LJQANCHMSA-N 417.552 3.992 10 40 HHCB O=S(=O)(Cc1ccc(Br)cc1)NCc1ccc(N2CCCC2)cc1 10113674 JFFCTZWFMFNEGK-UHFFFAOYSA-N 409.349 3.669 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)c1 13576675 XZEKMADIXHRQMG-ATVHPVEESA-N 414.508 3.631 10 40 HHCB COc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)ccc1OCC(=O)O 408976478 RMLGVIWSSVKUBP-LZYBPNLTSA-N 400.818 3.618 10 40 HHCB COc1ccc(OC)c(/C=C2/SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)c1 2261233 DPRQAHPQYRUTPT-ABPVARSCSA-N 415.492 3.731 10 40 HHCB Cc1cc(/C=C2/C(=O)N=C(O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(O)c1 13815392 PNIBKGXLYSQCNE-JAIQZWGSSA-N 419.412 3.810 10 40 HHCB COc1ccc(N2CCN(C[C@@H](O)COC3CCC(C(C)(C)C)CC3)CC2)cc1 23224605 RRGUEBZWXJAPMN-YUVVGHDESA-N 404.595 3.800 10 40 HHCB COc1ccc(N2CCN([C@H](CC(C)C)c3nnnn3Cc3ccccc3)CC2)cc1 57670707 KERDLPBOIDRFEN-HSZRJFAPSA-N 420.561 3.639 10 40 HHCB CCCOc1ccccc1/C=C1\C(=O)NN(c2cccc(Br)c2)C1=O 13600979 WDTHFHASNKRDQW-LFIBNONCSA-N 401.260 3.699 10 40 HHCB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc3nccnc23)SC1=S 13721621 BUUQKCNOTBEJNR-HKBKRHGFSA-N 407.476 3.657 10 40 HHCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 100044290 SMHDHVQBAHSFAD-ZROIWOOFSA-N 401.766 3.875 10 40 HHCB CC(C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O 107588270 CXEICCMMLLTYFP-XDHOZWIPSA-N 404.422 3.882 10 40 HHCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)ccc1N1CCCC1 408857349 NVMCIHAXCNQHGX-JXAWBTAJSA-N 405.523 3.735 10 40 HHCB O=C(c1cccc(Cl)c1)N1CCN(Cc2cc(Br)ccc2O)CC1 19899300 FCRLKXCNUXGKRV-UHFFFAOYSA-N 409.711 3.766 10 40 HHCB Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)n1-c1ccccn1 84081372 ZWDHBPXGOHIXBS-UHFFFAOYSA-N 422.504 3.519 10 40 HHCB Cc1cccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccccc3O)C2=O)c1 102701278 LHCMQUIDDUZMNR-FDFHNCONSA-N 400.434 3.752 10 40 HHCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 1908111 YLRBQUTWXSKNQY-KMFOOYFMSA-N 420.295 3.513 10 40 HHCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(Cl)c3c(c2)OCO3)cc1 12543347 VJLOAFLSYHKVOZ-SFHVURJKSA-N 416.905 3.956 10 40 HHCB Cc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)cc1F 65096228 OZQTXGDITVBGJQ-UHFFFAOYSA-N 400.475 3.913 10 40 HHCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC 408850817 RPUSFJHIZLJFIM-RIYZIHGNSA-N 418.808 3.553 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1C 409233589 LEXLAISQWIZVBB-OQLLNIDSSA-N 400.887 3.797 10 40 HHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)C1=O 409243897 YSUPTKGHWXYBRY-FOWTUZBSSA-N 424.453 3.548 10 40 HHCB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 409387824 RDVGTEXXXKJXTF-PDGQHHTCSA-N 406.394 3.675 10 40 HHCB O=C(O)c1cc(N2C(=O)/C(=C\C3=Cc4ccccc4OC3)SC2=S)ccc1O 6660759 WQVLIUDTROOPOU-CAOOACKPSA-N 411.460 3.815 10 40 HHCB CC(/C=C1\SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O)=C\c1ccccc1 8828411 DMYRIVYLLBJZLW-PZAFVPBJSA-N 416.549 3.728 10 40 HHCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(I)cc1 13672523 VDDUALBSHICXAR-UHFFFAOYSA-N 406.267 3.821 10 40 HHCB CC(C)OCCCNC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1O 36217806 JUQDPHFHOOVAFJ-OAQYLSRUSA-N 416.949 3.904 10 40 HHCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CC[C@@H](C)C2 100507576 SZFXIWSPFITWIU-BFPXCNAZSA-N 403.500 3.511 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)NC2=S)cc1 408960212 JQXJHDHMRDAYAV-HMMYKYKNSA-N 405.523 3.817 10 40 HHCB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 219052342 LBXJMOFMGNLUFO-LJQANCHMSA-N 403.526 3.675 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cccc(Br)c3)C2=O)cc1C 408526300 ATBXRNARTNPTQO-MHWRWJLKSA-N 414.259 3.645 10 40 HHCB COc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC 408859513 XQHSJNKKFWCKGD-OVCLIPMQSA-N 414.845 3.640 10 40 HHCB O=C(Cc1csc2[n+]1C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)S2)Nc1ccccc1 8665097 OBPWJOUYMXHKPC-LICLKQGHSA-O 424.483 3.912 10 40 HHCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccccc1 41078528 SJMOKXXQWJNQDK-NGTDACBUSA-N 419.437 3.603 10 40 HHCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NC12CC3CC(CC(C3)C1)C2 4263512 QXJJLDQPUYJJMJ-RQZCQDPDSA-N 416.568 3.956 10 40 HHCB COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCCOc1ccccc1C 4590048 VVSYWPIMIJDPBY-PDGQHHTCSA-N 401.509 3.950 10 40 HHCB COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)c(OC)c1 12391583 ZPRJAQRYFSCXQQ-QGZVFWFLSA-N 420.465 3.752 10 40 HHCB COc1ccc(N2CCN([C@@H](c3ccccc3)c3nnnn3C3CCCC3)CC2)cc1 20121743 PNQJVDMZLHFLDZ-QHCPKHFHSA-N 418.545 3.708 10 40 HHCB COc1ccc(C(=O)Oc2ccc(C=C3C(=O)OC4(CCCC4)OC3=O)cc2)cc1 58866092 SJIREGGZVBKCDH-UHFFFAOYSA-N 408.406 3.668 10 40 HHCB COc1cccc(N2C(=O)/C(=C/c3cc4ccc(OC)cc4[nH]c3=O)SC2=S)c1 102735760 QWMKJPBMHGELPD-NVMNQCDNSA-N 424.503 3.951 10 40 HHCB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccc(OC)cc2)C1=O 408807199 CIQBRTLOBHASSA-LFIBNONCSA-N 416.886 3.579 10 40 HHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(C)C)C2=O)cc1 408898790 MRGFGHXKFIFBNH-RGEXLXHISA-N 408.454 3.929 10 40 HHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1Cc1ccccc1 408968052 ZDUSSDRARDJVBC-FYJGNVAPSA-N 417.440 3.959 10 40 HHCB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@H]2C(=O)N1c1ccccc1F 5092792 OHQXLPGMIWWSJL-QHAWAJNXSA-N 404.397 3.582 10 40 HHCB CCOc1cc2c(cc1/C=C1\SC(=S)N(CCCCC(=O)O)C1=O)O[C@H](C)C2 6941081 DTKMHUMUPBUXCO-ZSAINHDTSA-N 421.540 3.865 10 40 HHCB COc1ccc(N2CCN(Cn3nc(C)n(-c4ccc(C)cc4)c3=S)CC2)cc1 56552763 HSKQCFSTNNGIAD-UHFFFAOYSA-N 409.559 3.808 10 40 HHCB CN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N(c2ccccc2)C1=O 59138859 MOZGUYMISVEHDP-LGMDPLHJSA-N 417.377 3.863 10 40 HHCB CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CC[C@H](C)C2 102332563 CJMKMKWRGVGPJV-NTLKJNNPSA-N 417.527 3.900 10 40 HHCB NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 409215938 GSXSBTBUDPZTSO-CHHVJCJISA-N 422.890 3.749 10 40 HHCB O=[N+]([O-])c1cc(Br)cc([C@H]2C=C(c3ccccc3)Nc3ncnn32)c1O 3060175 RVKSESRJSNXOML-CQSZACIVSA-N 414.219 3.710 10 40 HHCB O=C(Cc1ccccn1)N(Cc1ccco1)C1CCN(c2ccc3c(c2)OCO3)CC1 19401166 LEIUIWLJOOYIMY-UHFFFAOYSA-N 419.481 3.644 10 40 HHCB CCOc1ccc(Br)cc1/C=C1\C(=O)NN(c2ccc(C)c(C)c2)C1=O 59475177 SNBWDCOJMFZURA-GZTJUZNOSA-N 415.287 3.926 10 40 HHCB Cc1ccc(COc2ccc3ccccc3c2C=C2C(=O)NC(=S)NC2=O)cc1C 408881579 NKUFRQZOLXZGEO-UHFFFAOYSA-N 416.502 3.950 10 40 HHCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1OC(C)C 408895294 DSTOYOOLAIUFLJ-LDADJPATSA-N 408.454 3.766 10 40 HHCB COCCN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 409144441 FRKLEGUXVDIDDI-OQLLNIDSSA-N 407.831 3.981 10 40 HHCB CN(C)c1ccc(/C=C2/N=C(c3ccccc3I)OC2=O)cc1 2878939 NYVQOBAHLYOGFE-LFIBNONCSA-N 418.234 3.702 10 40 HHCB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\Nc1ccccc1S 4607024 LAHUPCLPEAIUKU-XFXZXTDPSA-N 407.373 3.573 10 40 HHCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1cccc([N+](=O)[O-])c1 5520272 FCLQWZIDRUWLLC-AQTBWJFISA-N 412.446 3.526 10 40 HHCB CCOc1ccccc1NC(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S 6080599 LJQLOAMDYPIABA-XNTDXEJSSA-N 404.538 3.987 10 40 HHCB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)-c2ccccc2S(=O)(=O)N3)cc1 1085832 KIAIWGCNEMTYEN-UHFFFAOYSA-N 400.481 3.577 10 40 HHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)o1 1161215 GIYQLGSNERKPGW-RVDMUPIBSA-N 401.850 3.754 10 40 HHCB CN1C(=O)C(=Cc2ccc(OCc3cccc4ccccc34)cc2)C(=O)N(C)C1=O 4832009 JVBNPBILQGRXPU-UHFFFAOYSA-N 400.434 3.853 10 40 HHCB Cc1cc(C)cc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1 408550493 HIYMRBVTQIUQKX-ZROIWOOFSA-N 403.866 3.840 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)c(OCC)c1 409221346 OZLSLVRRTNDOEV-GHRIWEEISA-N 424.453 3.549 10 40 HHCB CCOC(=O)C1=CN(CC)/C(=C\C=C\c2sc(C(=O)OCC)c[n+]2CC)S1 3181231 TYAQSLYKQPUUFO-UHFFFAOYSA-N 409.553 3.560 10 40 HHCB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)N2CCCC2)cc1 15970838 FJKKGIYVDZUNMO-QLBJFCOMSA-N 413.606 3.823 10 40 HHCB biogenic O=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1ccc(Oc2ccccc2)cc1 20046189 PSUTWVVXTHCMHA-UHFFFAOYSA-N 424.522 3.794 10 40 HHCB CN(C1=NC(=O)/C(=C/c2cc(Cl)ccc2OCC(=O)O)S1)c1ccc(O)cc1 2240507 MMMCLNBTIMILLI-SXGWCWSVSA-N 418.858 3.616 10 40 HHCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 408585631 GRDKSEGFWBUTCH-AQTBWJFISA-N 423.465 3.898 10 40 HHCB COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 409348989 UDSYIRYJYQLCPY-GZTJUZNOSA-N 415.492 3.653 10 40 HHCB CCN(CC)CCCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2OC)SC1=S 2371406 RNXFQWWAXQKDFK-PDGQHHTCSA-N 424.588 3.646 10 40 HHCB COc1cc(/C=C2\SC(N3CCN(c4ccccc4C)CC3)=NC2=O)ccc1O 1264128 ZGKPIKRLSRTZPA-ZHZULCJRSA-N 409.511 3.502 10 40 HHCB Cc1nnc(NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)s1 3194289 RLYMULRCIGWWQD-WQLSENKSSA-N 424.960 3.730 10 40 HHCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)C 4603758 ZBMIOHAZFWKBFQ-YBEGLDIGSA-N 414.845 3.802 10 40 HHCB COCCC1=NN(C(=O)c2cc(C)n(-c3ccccc3)c2C)[C@](O)(C(F)(F)F)C1 5612997 OBHAGJYSXVLUPD-LJQANCHMSA-N 409.408 3.583 10 40 HHCB COc1cc(OC)c([C@@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3O)=NN2)cc1OC 12323317 LSKTVLTWTMJZKO-AWEZNQCLSA-N 424.453 3.580 10 40 HHCB COc1cc([C@H]2CC(=O)Nc3nc(Nc4ccccc4)sc32)c(OC)c(O)c1O 15110032 PJSIOANFCJTRII-GFCCVEGCSA-N 413.455 3.789 10 40 HHCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NC1CCCCC1 17089272 GVIGTPYBXCZJEL-UYRXBGFRSA-N 412.515 3.758 10 40 HHCB Cc1ccc2nc(N3CCOCC3)c(/C=C3\SC(=S)N(C(C)C)C3=O)cc2c1 24007518 LTIZGPPSFKMORK-PDGQHHTCSA-N 413.568 3.989 10 40 HHCB COc1ccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)c(OC)c1 27530314 SSEAKYXSIGCQON-FRKPEAEDSA-N 417.464 3.513 10 40 HHCB CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 408816177 XYEVDPWDAFITFW-LDADJPATSA-N 408.454 3.767 10 40 HHCB CCOc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC 408867160 JRQVPSUOEBHIAT-ZROIWOOFSA-N 416.886 3.579 10 40 HHCB Cc1cccc(N2C(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)O)cc3)C(O)=NC2=S)c1 15012993 BWWGBSWDKXRQKR-MFVBVHDHSA-N 410.451 3.519 10 40 HHCB CC[C@H](C)Oc1ccccc1/C=C1/C(=O)N(CCOC)C(=O)N(c2ccccc2)C1=O 409010479 FDBYUDITXPBOQN-IMGOXIFKSA-N 422.481 3.889 10 40 HHCB COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)SC1=S 409216468 LKEJOLMLLABSGT-WQRHYEAKSA-N 413.520 3.948 10 40 HHCB C[C@@]12CC(=O)N[C@@H]1N(C(=O)c1cccc(C(F)(F)F)c1)[C@@H](c1ccccc1O)C2 4108710 DOQSYCNJTJREJJ-CDHQVMDDSA-N 404.388 3.851 10 40 HHCB Cc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCCC1 13007811 QLDBZRDPLLKMCB-QHCPKHFHSA-N 407.558 3.710 10 40 HHCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccc(F)cc1F 13149060 VWQHUXAPIABUFG-UHFFFAOYSA-N 421.355 3.536 10 40 HHCB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 28248773 YQQDHDSTKNASQD-UHFFFAOYSA-N 417.512 3.968 10 40 HHCB CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCC2 35898092 IPWOJINDHICCPA-KNPMLCFXSA-N 403.500 3.654 10 40 HHCB S=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc(Br)c1 53535950 BQKGGXODXJOLDW-UHFFFAOYSA-N 406.349 3.772 10 40 HHCB C[C@@H]1CN(c2ccc(CNC(=O)c3c(Cl)nc4ccccn34)cc2F)C[C@@H](C)O1 57376723 LBKZXPJJLLKWTK-ZIAGYGMSSA-N 416.884 3.670 10 40 HHCB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(=O)NCc1ccccc1O 72309194 VQIFZJACWCNTOR-UHFFFAOYSA-N 424.478 3.552 10 40 HHCB CCCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCC2 102345525 GRMRNUJFJXZTGH-APYUEPQZSA-N 403.500 3.655 10 40 HHCB CC(=O)Nc1ccc(N/C=C2/C(=O)N=C(S)N(c3ccc(C(C)C)cc3)C2=O)cc1 102540591 PIBZMBLAMDPJHS-UNOMPAQXSA-N 422.510 3.923 10 40 HHCB O=C(O)c1ccccc1NC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 810835 WDNOQKOZUNGRHG-UHFFFAOYSA-N 410.385 3.665 10 40 HHCB biogenic Cc1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)n1-c1ccc(OC(F)F)cc1 22714804 KHKHTHYOIGZICU-UHFFFAOYSA-N 417.368 3.648 10 40 HHCB O=C(O)c1cc(/N=N\c2ccc(S(=O)(=O)Nc3nccs3)cc2)ccc1O 104090939 FESOWBQMOCAPBN-HNENSFHCSA-N 404.429 3.763 10 40 HHCB COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1N1CCOCC1 260753096 BIESKFCOZOJWPW-IPHXSNPTSA-N 410.543 3.516 10 40 HHCB CC(C)Oc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 408865390 APFAGNCPSHFXRI-WJDWOHSUSA-N 400.887 3.959 10 40 HHCB Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1-c1cc(Cl)ccc1Cl 408910045 IVTYDKYFRYRTMQ-NTUHNPAUSA-N 408.310 3.657 10 40 HHCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C1=O 409095703 IFLMZFQYHRRIHQ-YRUBURHZSA-N 402.447 3.831 10 40 HHCB COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(F)c1 8237075 HSQMUJPWMYEHRY-XSFVSMFZSA-N 418.424 3.875 10 40 HHCB CN(C)c1ccc(CNc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)cc1 26760138 SIOIADKLWPKMHH-UHFFFAOYSA-N 423.586 3.690 10 40 HHCB COCCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)NC(C)C 44085933 PXBTZFYYGDESDG-UHFFFAOYSA-N 412.353 3.576 10 40 HHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(F)cc1 223616486 WAWXVFKGGSGREK-FGZHOGPDSA-N 424.545 3.983 10 40 HHCB CCCCCCOc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1Cl 408538167 JYXYMCFZVNDMMQ-UHFFFAOYSA-N 401.315 3.867 10 40 HHCB COCCCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)C(C(=O)OC)=C1C 409002569 VCBCGIKSHDCFHV-PGMHBOJBSA-N 421.493 3.975 10 40 HHCB COc1ccc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1 409227617 QWERFIIVMZMYPP-LDADJPATSA-N 410.495 3.659 10 40 HHCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(C(=O)O)cc1 1839019 YDHHUSLIYMMEAV-RVDMUPIBSA-N 416.480 3.598 10 40 HHCB CCCCOCCNC=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O 6756901 FMARXVOBLXZNLT-UHFFFAOYSA-N 423.538 3.642 10 40 HHCB C[C@H]1CCc2c(sc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c2C(N)=O)C1 13062829 WQRWLLAPYYHPBR-VIFPVBQESA-N 418.462 3.791 10 40 HHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cccc(C(F)(F)F)c3)C2=O)cc1 16691687 BXWATZOGTVAPHQ-WJDWOHSUSA-N 419.359 3.683 10 40 HHCB CC(=O)Oc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409330678 LXARVXNNTCTTOT-YBEGLDIGSA-N 400.437 3.926 10 40 HHCB COc1ccccc1/C=C1/SC(=O)N(NC(=O)c2cccc([N+](=O)[O-])c2)C1=S 1799973 FEFWANKCPJRRRH-XNTDXEJSSA-N 415.452 3.786 10 40 HHCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccccc2O)C1=O 4745312 JOUIWGIGMCIXJF-ATVHPVEESA-N 414.508 3.631 10 40 HHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1 223614757 GQALRJUWVACGBY-FCHUYYIVSA-N 406.555 3.844 10 40 HHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3ccc(Br)s3)C2=O)c1 4704495 WXJJHSOGOSIREW-JYRVWZFOSA-N 405.273 3.794 10 40 HHCB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 4795524 MKCJEPVVFOFTJD-FOWTUZBSSA-N 413.480 3.825 10 40 HHCB COc1ccc(C)cc1/N=N\[C@@H]1C(=O)N(C(=O)CC(=O)Nc2cccc(C)c2)N=C1C 104236509 ZXLDYHNALILNBH-VHAJSEAWSA-N 421.457 3.538 10 40 HHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(C(=O)O)c1 222742337 CZLYUQVQOBKOEY-WOJBJXKFSA-N 406.511 3.790 10 40 HHCB COc1ccc(Br)cc1/C=C1\C(=O)NN(c2ccc(Cl)cc2)C1=O 859653 JWLDVUVZOBYSAF-NTEUORMPSA-N 407.651 3.573 10 40 HHCB CCCCOc1ccc(-c2nc3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n3n2)cc1 1806316 TXHUNPNKIBDFLS-HKWRFOASSA-N 420.538 3.611 10 40 HHCB Cc1cccc(N2C(=O)/C(=C3/C(=O)N(CC(=O)O)c4ccccc43)SC2=S)c1C 12462891 XPUZBWQCFSWVGF-ZCXUNETKSA-N 424.503 3.511 10 40 HHCB COc1ccc(CCN2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1OC 1450829 OFPSHQZCCFLGBQ-PDGQHHTCSA-N 401.509 3.853 10 40 HHCB COc1ccc(/C=C2/SC(N3CCN(c4cccc(C)c4)CC3)=NC2=O)cc1OC 13787280 PMELGEPGOFXXIZ-RCCKNPSSSA-N 423.538 3.805 10 40 HHCB COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(C)c4)co3)CC2)cc1 56949870 WVRYSKSKZDUBEQ-UHFFFAOYSA-N 420.509 3.858 10 40 HHCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc3ccccc3oc2=O)cc1 6747967 IYQSZDKDHRJZMV-HXUWFJFHSA-N 406.482 3.680 10 40 HHCB Cc1cc(C(=O)COC(=O)c2ccc(C=O)cc2)c(C)n1-c1ccc2c(c1)OCCO2 6862308 CSXLFHYASANFQY-UHFFFAOYSA-N 419.433 3.718 10 40 HHCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)cc1Cl 9233553 CBTYXITWTXUENS-FRKPEAEDSA-N 418.858 3.735 10 40 HHCB COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(C)cc4)C3=O)o2)c1 17146071 BXLJPPCDQQWLSW-UYRXBGFRSA-N 402.406 3.503 10 40 HHCB COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc1[N+](=O)[O-] 19897981 ZOTLWRBAIDFFRY-QPEQYQDCSA-N 415.789 3.761 10 40 HHCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCCCCC3)C2=O)cc1 5214202 BWDMABIENYFKLJ-LGMDPLHJSA-N 404.557 3.689 10 40 HHCB Cc1cc(C(=O)CN2CCN(C(=O)C3CC3)CC2)c(C)n1-c1ccc(F)c(Cl)c1 35307744 PPOCXPJYYIFXBV-UHFFFAOYSA-N 417.912 3.624 10 40 HHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccccc1 408772241 FPLXKLDQSQNAMI-UDWIEESQSA-N 403.413 3.900 10 40 HHCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 408878228 YNFYIJSHQVRLJT-UHFFFAOYSA-N 412.873 3.696 10 40 HHCB COc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 1197607 IOVUQDFJPNAKCV-CPNJWEJPSA-N 402.475 3.988 10 40 HHCB CCc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)s1 1801842 DPMHMFIRRRVEIX-LUAWRHEFSA-N 424.598 3.782 10 40 HHCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(O)c3)C2=O)cc1 4174701 KJCYENVFGNPACR-YVLHZVERSA-N 414.508 3.631 10 40 HHCB CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C 408965954 XZOOTBIUEUYJAO-MHWRWJLKSA-N 416.275 3.554 10 40 HHCB COc1cccc(OCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)c1 4677262 KTFRIOHLXFUMKT-PDGQHHTCSA-N 401.509 3.984 10 40 HHCB Cc1ccc(OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c([N+](=O)[O-])n1 9119783 YUMIKZLSYBDODQ-UHFFFAOYSA-N 409.398 3.696 10 40 HHCB O=C1/C(=C\c2ccco2)SC(=S)N1CN1CCN(c2cccc(Cl)c2)CC1 20057956 ASKXNOLUQAZACC-SFQUDFHCSA-N 419.959 3.914 10 40 HHCB Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)n1Cc1ccco1 27156069 FORMAKYQMJLFNW-UHFFFAOYSA-N 407.514 3.855 10 40 HHCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 408901730 BDWNLDYZIDMKBA-LDADJPATSA-N 409.804 3.936 10 40 HHCB COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(C)C)cc1 867169 NIWOUELIZCNMFU-IBGZPJMESA-N 414.893 3.681 10 40 HHCB CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 2312045 CUEZIUZLTXHWTN-KDNCBPJOSA-N 423.448 3.763 10 40 HHCB O=S(=O)(Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12)c1cccs1 5234912 NNQKMQAEDVSGIJ-UHFFFAOYSA-N 404.498 3.677 10 40 HHCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccn1Cc1ccccc1Cl 13552381 YKDNWGLLKMXOIR-LDADJPATSA-N 423.831 3.995 10 40 HHCB O=C(C1=CN(c2ccccc2F)c2cc(F)ccc2S1(=O)=O)N1CCCCC1 49003925 CQICMNNKYHPSLM-UHFFFAOYSA-N 404.438 3.744 10 40 HHCB COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCC2 4652336 RMGYGYBIBZRJDX-KOZAUXTDSA-N 403.500 3.655 10 40 HHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N2CCCCC2)cc1 5898913 STWZTVGQVJABMB-RGEXLXHISA-N 409.873 3.997 10 40 HHCB CCOc1cccc(CN2CCC(c3ncc(Cl)cc3S(C)(=O)=O)CC2)c1O 12186969 KYZIQGWDIZRRRJ-UHFFFAOYSA-N 424.950 3.622 10 40 HHCB Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)sc2nc3n(c(=O)c12)CCCCC3 12606630 HHHRWSROBXEGNC-UHFFFAOYSA-N 424.570 3.831 10 40 HHCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 408764962 ARSXSRQRKDKVKB-WQRHYEAKSA-N 423.465 3.898 10 40 HHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 408962657 IZXVXWGVDCSPNV-KPKJPENVSA-N 406.181 3.568 10 40 HHCB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(C(=O)O)cc1 1232279 LJDHTCKGKNAOGJ-FOWTUZBSSA-N 412.492 3.615 10 40 HHCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)N=C(O)N(Cc4ccco4)C3=O)c2C)cc1 1306698 NRXNPZVFDIWANY-UDWIEESQSA-N 403.438 3.862 10 40 HHCB Cc1cc(C(=O)Cn2cnc3ccsc3c2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 26019310 BZFBWAVPPFMGNZ-UHFFFAOYSA-N 408.439 3.657 10 40 HHCB CNS(=O)(=O)c1ccc(O)c(/N=N/c2c(O)ccc3cccc(NC(C)=O)c23)c1 111394004 IUSNKBQUMJMAPR-GHVJWSGMSA-N 414.443 3.533 10 40 HHCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)c(C)c1 409390752 GVAKFLLPRSNTQJ-DEDYPNTBSA-N 414.465 3.772 10 40 HHCB O=C1N=C(Nc2cccc(O)c2)S/C1=C1\C(=O)Nc2ccc(Br)cc21 1747108 VALXGZCPXKEBPA-YPKPFQOOSA-N 416.256 3.559 10 40 HHCB Cc1cc(C(=O)COC(=O)[C@@H]2COc3ccccc3O2)c(C)n1-c1ccccc1F 3288367 CIBUCRABBZZLJY-QFIPXVFZSA-N 409.413 3.799 10 40 HHCB Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)c1 9262466 XVOKOBVFMBKZKJ-PDGQHHTCSA-N 423.513 3.874 10 40 HHCB COc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O 16195016 XCNGIKAKVHVOMZ-NVNXTCNLSA-N 402.453 3.710 10 40 HHCB COc1ccc(N2CCN(c3nc(Nc4ccc(C)cc4)c4cn[nH]c4n3)CC2)cc1 23135946 IESCIKPCNJQXOW-UHFFFAOYSA-N 415.501 3.740 10 40 HHCB O=C(Nc1ccccc1Cn1cccn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 72270536 VXZIGIUQFZBQDC-FQEVSTJZSA-N 406.486 3.850 10 40 HHCB CCCN1C(=O)/C(=C\c2ccc(O)c(OCC)c2)C(=O)N(c2ccccc2)C1=S 409024933 ZJBGZFCDKPQVTQ-GHRIWEEISA-N 410.495 3.745 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(OC)c1 409247187 CJBUADKLLGRLBZ-WOJGMQOQSA-N 410.495 3.659 10 40 HHCB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccccc1C(=O)O 1232281 XCFQAKOEBFYOFV-FOWTUZBSSA-N 412.492 3.615 10 40 HHCB COc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)SC2=S)c(OC)c1 8821653 UEMOPEXSUBYWCE-NXVVXOECSA-N 416.455 3.571 10 40 HHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)COc1cccc(N2CCCC2=O)c1 12585608 YALQTJDHNPKUSC-UHFFFAOYSA-N 421.541 3.841 10 40 HHCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1O 13687192 BWHMWTAVQIWQKN-DHDCSXOGSA-N 420.899 3.600 10 40 HHCB CCCCOc1ccc(/C=C2\SC(=S)N([C@H](CC)C(=O)O)C2=O)cc1OC 16712303 NFABKTUPJJQJHP-YYTPVVGHSA-N 409.529 3.939 10 40 HHCB CCOc1ccc(CC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1 16838214 UFFCIHAXOIITPT-RUZDIDTESA-N 421.585 3.964 10 40 HHCB N=C1/C(=C\c2c[nH]c3ccccc23)C(=O)N=C2SC(COc3ccccc3)=NN12 18122036 UYEOJDFXCVTKAQ-BTWTVLLVSA-N 401.451 3.866 10 40 HHCB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 216928225 MBKHMUQEPOOPCD-INIZCTEOSA-N 403.979 3.889 10 40 HHCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1OC(C)C 409009426 FPMAOHRTLUBHEU-SFQUDFHCSA-N 424.522 3.931 10 40 HHCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3/C(=O)N=C(S)N(C)C3=O)c2C)cc1 1298552 GGWKNYWPPNRJGA-UYRXBGFRSA-N 410.543 3.608 10 40 HHCB CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N([C@H](C)CC)C1=O 6324180 RAAOZLXXUQGQLT-NWFCWYBLSA-N 416.572 3.825 10 40 HHCB CN(Cc1ccc(N(C)C)cc1)C(=O)Cn1c(-c2cscn2)nc2ccccc21 8279948 OMZAACTXGMKWPQ-UHFFFAOYSA-N 405.527 3.884 10 40 HHCB NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O 409351542 VBJLVFSMOSONCK-DHDCSXOGSA-N 404.900 3.610 10 40 HHCB CN1C(=O)C(=Cc2cn(CCCOc3ccccc3)c3ccccc23)C(=O)N(C)C1=O 5879199 LABBSKDJMBBLKK-UHFFFAOYSA-N 417.465 3.544 10 40 HHCB O=C(NN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)c1ccccc1 96505306 HVFOUGKXPXGOFZ-GXDHUFHOSA-N 419.325 3.995 10 40 HHCB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@H](Cc4ccccc4)C3=O)c2C)cc1 3477049 VABUILLAJJHODP-QFIPXVFZSA-N 415.493 3.748 10 40 HHCB Cc1cc(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c(C)n1-c1cccc(F)c1 8761514 PIHSKPJWQXPQOK-UHFFFAOYSA-N 420.400 3.734 10 40 HHCB Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@@H](c2ccc(N(C)C)cc2)C1)CCC3 12296335 BGDZFIMTHYEKTL-GOSISDBHSA-N 403.482 3.800 10 40 HHCB biogenic CCOC(=O)COc1ccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1 15008386 RCQAIDZTLFJKGR-BOPFTXTBSA-N 416.524 3.584 10 40 HHCB CC1CCN(c2ccc([C@H](C)NC(=O)CCn3cnc4ccccc4c3=O)cc2)CC1 19661759 FBHODOXEWMMRPH-IBGZPJMESA-N 418.541 3.900 10 40 HHCB Cc1cc(=O)oc2c(CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(O)ccc12 79483750 NEKHRHPUDKTOMN-UHFFFAOYSA-N 419.403 3.543 10 40 HHCB COc1ccc(C(=O)NC2(Nc3ccc(C)cc3)C(=O)c3ccccc3C2=O)cc1 226297713 HUGIKLRSHCSUHD-UHFFFAOYSA-N 400.434 3.621 10 40 HHCB Cc1nc2ccc(N/C=C3\C(=O)NC(=O)N(c4cccc5ccccc45)C3=O)cc2[nH]1 408533949 UDQPGQUKJFTIDC-SFQUDFHCSA-N 411.421 3.603 10 40 HHCB CN(C)c1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 409252349 XJHTUMIJSOYQHJ-YBEGLDIGSA-N 419.428 3.603 10 40 HHCB Cc1cc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)n1-c1ccc2c(c1)OCO2 9125871 ADADHAUGHHKKPZ-UHFFFAOYSA-N 418.371 3.886 10 40 HHCB CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)c(CN3CCOCC3)c12 19932827 ZXAWKHDXRYZIPO-UHFFFAOYSA-N 424.497 3.662 10 40 HHCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(C(=O)O)cc1[N+](=O)[O-] 101148418 VFNQVAAPUWDJSJ-NTEUORMPSA-N 400.778 3.665 10 40 HHCB CC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 1839219 QYVYGJRMHDAIMI-DHDCSXOGSA-N 402.522 3.791 10 40 HHCB NC(=O)COc1ccc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)cc1Cl 33563172 MSOSJWICVDRXFF-NVNXTCNLSA-N 422.293 3.940 10 40 HHCB COc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 107758159 XBCZADJTBOJRCU-JYRVWZFOSA-N 407.651 3.573 10 40 HHCB COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225755720 WPOCOBYMWIEUBW-QGZVFWFLSA-N 416.543 3.749 10 40 HHCB Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)C(=O)NC2=S)c1 408960079 JDEVLJFTSOIFID-XSFVSMFZSA-N 405.523 3.735 10 40 HHCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 408995344 BLFMJSOERHPOGB-AQTBWJFISA-N 408.410 3.871 10 40 HHCB NC(=O)Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21 409130125 WBHBEOIHODKUSC-WQRHYEAKSA-N 413.568 3.908 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1O[C@H](C)C(=O)O 409236779 HFBOWJKFBMCGTF-COOUDCDJSA-N 415.492 3.953 10 40 HHCB CCOc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccccc3O)C[C@H]21 10214487 RGAZSWSIIDVHIY-HXUWFJFHSA-N 421.497 3.673 10 40 HHCB COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCC5)=NN2)cc1OC 12296803 NHDFXFXYSOHDOB-INIZCTEOSA-N 420.465 3.752 10 40 HHCB biogenic O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccccc3Br)o2)SC1=S 13343745 ROBUSKIPRYRSEN-NTUHNPAUSA-N 424.297 3.995 10 40 HHCB CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3cccc(OC)c3)C2=O)c1 59104859 PPPQZEGEODRVFY-SFQUDFHCSA-N 410.426 3.999 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Cl)cc1OC 104024692 KGXQMVYFMDIHDD-OQLLNIDSSA-N 414.845 3.722 10 40 HHCB CN1C(=O)C(=C2C=C(/C=C/c3ccc(N(C)C)cc3)CC(C)(C)C2)C(=O)N(C)C1=O 685944749 UUXUHXDRWLMYMH-BQYQJAHWSA-N 407.514 3.859 10 40 HHCB CCCCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CC(C)(C)OC3 13142499 RZSOLLZIZJVIMQ-UHFFFAOYSA-N 419.547 3.523 10 40 HHCB CCOc1c(Br)cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1OC 13915742 CFHBCDRRGCVEHA-UHFFFAOYSA-N 411.248 3.610 10 40 HHCB CCN1CCN(Cc2c(O)ccc3c(C)c(-c4ccc(OC)cc4)c(=O)oc23)CC1 20605115 SDDZKBFECNYQTH-UHFFFAOYSA-N 408.498 3.620 10 40 HHCB biogenic Cc1c(NS(=O)(=O)c2ccccc2)cc(S(=O)(=O)c2ccccc2)c(O)c1C 26786884 ORZSKJBICBVZKJ-UHFFFAOYSA-N 417.508 3.643 10 40 HHCB COC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1 32099592 QYJQOSRXTTXDPF-LDADJPATSA-N 422.824 3.848 10 40 HHCB CCCCN1C(=O)[C@H]2ON(c3ccccc3C)[C@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O 100799415 UUVFPIFGOGYEQR-BDTNDASRSA-N 407.514 3.708 10 40 HHCB CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CC[C@@H](C)C2 102332566 CJMKMKWRGVGPJV-BCBCSNLJSA-N 417.527 3.900 10 40 HHCB O=c1[nH]c(/C=C/c2cc(/N=N\c3ccccc3Cl)ccc2O)c([N+](=O)[O-])c(=O)[nH]1 107930547 PPNBEKZJFTWOKV-NEWMYXEMSA-N 413.777 3.916 10 40 HHCB COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)C(=O)NC2=S)cc1 4739009 JHPSYDNFMZZQGR-ZSOIEALJSA-N 407.278 3.833 10 40 HHCB Cc1cc(Br)c(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)cc1C 8441538 XLYMJQNAPXSRFX-UHFFFAOYSA-N 417.259 3.760 10 40 HHCB COc1ccc2ccc(O)c(CN(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)c2c1 12869253 OGYUAOBRJDGKIC-INIZCTEOSA-N 417.552 3.805 10 40 HHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C 223017305 BOZBNIUWKDGKDL-RTWAWAEBSA-N 421.570 3.811 10 40 HHCB Cc1cc2oc(=O)c3c(c2c(O)c1CN(C)C[C@H]1CCCN2CCCC[C@@H]12)CCC3 1565520292 QKDKWEFQOMEWTO-UTKZUKDTSA-N 410.558 3.992 10 40 HHCB biogenic COc1cc(/C=C2\SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)ccc1O 5372040 FIXNAXUDUCDXNX-PXNMLYILSA-N 401.465 3.813 10 40 HHCB Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 10962119 HNOMQHZPVJVAPV-UHFFFAOYSA-N 400.544 3.661 10 40 HHCB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCc1cc([N+](=O)[O-])ccc1O 17905765 OCKLRQZRIQTKSU-UHFFFAOYSA-N 404.785 3.517 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1OCC(=O)O 409334331 XDHWFYRVNLHIGG-GDNBJRDFSA-N 407.513 3.693 10 40 HHCB O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1c(O)ccc2ccccc12 910385 BEGFRCPLVIVCPH-GZTJUZNOSA-N 409.239 3.769 10 40 HHCB COCCN1C(=O)/C(=C/c2cc(C)n(C(C)C)c2C)C(=O)N(c2ccccc2)C1=O 4545330 GPDUXKBMNIFHSS-ZHZULCJRSA-N 409.486 3.711 10 40 HHCB CC(C)c1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1 5179386 TWNKUBVWGXNOBD-MJEQIIAOSA-N 423.542 3.832 10 40 HHCB COc1cc(Br)cc([C@@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)c1O 9007987 BNJJEGJYFCYZKL-OAHLLOKOSA-N 424.320 3.642 10 40 HHCB COc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O 18173615 SNENMTYTJZGXLC-QGOAFFKASA-N 402.475 3.988 10 40 HHCB CCc1ccccc1N1C(=O)N=C(O)/C(=C/c2cc(OC)c(OC)cc2OC)C1=O 8927411 DUZHTKROTFPAMN-GDNBJRDFSA-N 410.426 3.782 10 40 HHCB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@H](Cc4ccccc4)C3=O)c2C)cc1 3477046 VABUILLAJJHODP-JOCHJYFZSA-N 415.493 3.748 10 40 HHCB O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(F)c(F)c1 9507178 PUYQZPYUOCALKF-UHFFFAOYSA-N 418.377 3.905 10 40 HHCB CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 16936656 ZIDCKZJEIMEKGX-HQQGHWSLSA-N 400.319 3.904 10 40 HHCB Cc1ccc(COc2c(Cl)cc(Cl)cc2C=C2C(=O)NC(=S)NC2=O)cc1 409045469 YRNPKGOUDVIBGK-UHFFFAOYSA-N 421.305 3.795 10 40 HHCB CCOc1cccc(N2C(=O)/C(=C\c3ccc(N(CC)CC)cc3)C(=O)NC2=S)c1 1203319 YYJZSYORBOLLSJ-ZHZULCJRSA-N 423.538 3.763 10 40 HHCB COc1cc([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCCC5)=NN2)ccc1O 12321364 LKELZSHJFWIVCP-MRXNPFEDSA-N 420.465 3.839 10 40 HHCB O=C(COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)c1ccc2c(c1)OCO2 12684540 ATLPNCBGAKJKJT-UHFFFAOYSA-N 416.385 3.521 10 40 HHCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NC2CCCCC2)C1=O 16695940 DUKJHAPFKAHBIS-LGMDPLHJSA-N 404.557 3.735 10 40 HHCB COc1ccc2c3c(n(CCc4ccncc4)c(=O)c2c1OC)-c1ccccc1C3=O 604404720 JLTWGEPKXXGSBO-UHFFFAOYSA-N 412.445 3.868 10 40 HHCB biogenic O=C1c2ccccc2C(=O)c2c(/N=N/c3ccc(O)c(S(=O)(=O)O)c3)cccc21 4887215 CWSAPUYRNNXFMX-QURGRASLSA-N 408.391 3.830 10 40 HHCB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S 13689811 MSWWHXLVKDCHBE-YPOUMIDOSA-N 421.503 3.527 10 40 HHCB COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)c1 222765024 VLAMTZVXDBSRJJ-SFTDATJTSA-N 420.538 3.878 10 40 HHCB CN(C)c1ccc(/C=C2\C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1Br 1215346 TZMUBDKRIJHQCF-NTEUORMPSA-N 420.694 3.630 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc(C)on3)C2=O)c1 4174729 VCVJOKOIBXSMMG-PTNGSMBKSA-N 417.512 3.612 10 40 HHCB CCOc1ccc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1OC 5520180 MWSVKHCBDDHARX-PGMHBOJBSA-N 423.538 3.886 10 40 HHCB COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4F)co3)CC2)cc1 36358643 KODBTHQNELFQQT-UHFFFAOYSA-N 424.472 3.689 10 40 HHCB COc1ccc(N2CCN(CC(=O)Nc3ccc(SC(F)F)cc3)CC2)cc1 57548374 KDOLBTAMOQOYOB-UHFFFAOYSA-N 407.486 3.771 10 40 HHCB COC(=O)/C=C\N(Cc1ccccc1)/N=N\N(/C=C\C(=O)OC)Cc1ccccc1 104227628 WGWHBDYUEFOOAF-ONLHFFAYSA-N 408.458 3.646 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccnc4)c3C)C2=O)cc1C 1407190 HIXBYWDOBXHSKD-CIAFOILYSA-N 414.465 3.772 10 40 HHCB O=C(O)c1ccc(-n2cccc2/C=C2/C(=O)N(c3cccc(F)c3)C(=O)N=C2O)cc1 13880336 BZVOQMSIFSAKGM-LDADJPATSA-N 419.368 3.821 10 40 HHCB CN(C)c1ccc(CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 6820269 BZYVGBWGKAVVOJ-UHFFFAOYSA-N 410.396 3.798 10 40 HHCB Fc1cc(Br)ccc1NC(=S)NCc1ccc(N2CCOCC2)cc1 225420832 SCPLUDPOKYSOIV-UHFFFAOYSA-N 424.339 3.911 10 40 HHCB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)nc1 223623541 NLPLDHDHCJFLIU-VXKWHMMOSA-N 421.570 3.547 10 40 HHCB COc1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 5393895 CWPQSPZSAKOJBE-UHFFFAOYSA-N 401.315 3.513 10 40 HHCB COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl 15012527 HEUQEWVCZSQCHB-SDQBBNPISA-N 409.200 3.808 10 40 HHCB CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(=O)OC)C1 169619759 XXEHSBZPOHEQAK-GNNBREFNSA-N 403.500 3.511 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1csc(Cc2ccccc2)n1 40088843 YUNBEWSLEWXKJS-UHFFFAOYSA-N 407.539 3.843 10 40 HHCB CCN(CCOC)C1=NC(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)S1 2688645 SLDRYTKWWARFII-VXPUYCOJSA-N 421.522 3.542 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCCOc2ccccc2)cc1 4501958 UBJSTPBOBJGDCT-XLNRJJMWSA-N 400.434 3.606 10 40 HHCB O=C1/C(=C\c2cccs2)SC(=S)N1CC(=O)N1CCCc2ccccc21 6140077 NMHBFVWUUJBMIG-LFIBNONCSA-N 400.550 3.929 10 40 HHCB CCc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 6652552 URCWIWRDOOBSDU-UHFFFAOYSA-N 413.429 3.820 10 40 HHCB Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(O[C@H](C)C(=O)O)cc3)C2=O)cc1C 8767629 PMSNRRWXVPZWRC-JVVDOCDTSA-N 408.410 3.662 10 40 HHCB O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2c(O)ccc3ccccc23)CC1 20887317 UAUCGMOENXFWQM-UHFFFAOYSA-N 416.930 3.705 10 40 HHCB CCN(CC)c1ccc(N/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1 2214224 JPOFMLYYAYBIJD-JXAWBTAJSA-N 408.527 3.585 10 40 HHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(C(C)(C)C)c2C)C1=O 409251745 QMARPHGHJPEYKW-GHRIWEEISA-N 409.486 3.925 10 40 HHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1C1CCCC1 408782078 GZSBGBVXFKBOSD-VCHYOVAHSA-N 421.453 3.615 10 40 HHCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C 223017429 BOZBNIUWKDGKDL-NHCUHLMSSA-N 421.570 3.811 10 40 HHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(F)c1 223616279 JTZJIMAODZPFGU-FGZHOGPDSA-N 424.545 3.983 10 40 HHCB C[C@H](NC(=O)CCn1cnc2ccccc2c1=O)c1ccc(N2CCCCC2)cc1 19661777 ITVYXYXQDQRTQU-SFHVURJKSA-N 404.514 3.654 10 40 HHCB C[C@@H](Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc2cccnc2c1O 1611086 WUMBPDDONXYOSU-CQSZACIVSA-N 421.482 3.704 10 40 HHCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1ccc(O)cc1O 58378084 PVJRKJHQCDWSAE-UHFFFAOYSA-N 412.467 3.727 10 40 HHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)cc3)C2=O)cc1OC 409215935 CFSSIBGBIVWWFI-LFIBNONCSA-N 414.845 3.804 10 40 HHCB Cc1c(Cc2ccccc2)c(=O)oc2c(CN[C@@H](CC(C)C)C(=O)O)c(O)ccc12 11866849 LZVNDAWOTCMIJK-FQEVSTJZSA-N 409.482 3.987 10 40 HHCB S=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(Br)cc1 225419712 KHSQYPAQMJWENH-UHFFFAOYSA-N 406.349 3.772 10 40 HHCB O=C(NC1(NCc2ccccc2)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 226298068 XHCFAPQPIUQXCW-UHFFFAOYSA-N 404.853 3.635 10 40 HHCB O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 6779967 PAGFDMYEKQTPDG-CAOOACKPSA-N 414.552 3.841 10 40 HHCB COc1ccc(CC2=NN3C(=N)/C(=C\c4ccc(C)cc4)C(=O)N=C3S2)cc1OC 35225602 ZLYLMWGORRTOEG-RCOXNWNUSA-N 420.494 3.874 10 40 HHCB CCOc1cc(/C=C2\SC(Nc3ccccc3F)=NC2=O)ccc1OCC(=O)O 210462015 IVSHESAPLHAFMP-YVLHZVERSA-N 416.430 3.770 10 40 HHCB COc1ccc(/C=C2/SC(=S)N(CNc3cccc([N+](=O)[O-])c3)C2=O)cc1 408822258 JQYSLHUWSRFNPI-CXUHLZMHSA-N 401.469 3.874 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3F)C(=O)NC2=S)c(C)c1 409131785 OWXINRRZALDXEP-LDADJPATSA-N 423.513 3.874 10 40 HHCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)o1 409195690 KEKGMNUDBVWQIB-BOPFTXTBSA-N 409.398 3.568 10 40 HHCB CN(C)c1ccc(CNC(=O)c2ccccc2SCC(=O)NCc2ccco2)cc1 8171246 OGCNJHPDUGBMHJ-UHFFFAOYSA-N 423.538 3.684 10 40 HHCB O=C1N=C(S)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1 9065529 UEQNTKJOTWXQRA-ATVHPVEESA-N 418.430 3.887 10 40 HHCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)ccc1O 12273946 FKULFNJSWXWXOS-PXNMLYILSA-N 417.464 3.601 10 40 HHCB COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(N4CCN(C)CC4)cc3)on2)cc1 12401869 JIDSIXVZLZNGJO-QGZVFWFLSA-N 420.513 3.593 10 40 HHCB Cc1cccc(N2C(=O)/C(=C\c3ccc(O[C@H](C)C(=O)O)cc3)C(O)=NC2=S)c1 15012991 BWWGBSWDKXRQKR-GPLLRDDGSA-N 410.451 3.519 10 40 HHCB O=C(NN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S)c1ccc(Cl)cc1 206238670 CLDHSOJYQNFFPP-NTEUORMPSA-N 419.871 3.794 10 40 HHCB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCOCC3)C2=O)cc1 4745348 AHGZTTBWLDWKLM-SDXDJHTJSA-N 418.584 3.615 10 40 HHCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C\c2nc3ccccc3n2C)SC1=S 5235998 UDYOPQPBTWUKLN-MHWRWJLKSA-N 409.492 3.986 10 40 HHCB O=C(OCc1nc(-c2ccsc2)no1)c1cccc2c1C(=O)c1ccccc1C2=O 12803873 RUMBDWZSSJUTFE-UHFFFAOYSA-N 416.414 3.931 10 40 HHCB O=C1/C(=C\c2ccco2)SC(=S)N1CC(=O)N1CCCC[C@@H]1c1cccnc1 33589411 OBEUVMLWQNEILI-PCJMVEANSA-N 413.524 3.630 10 40 HHCB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 217026549 OFSBHIFTJQKMAB-NRFANRHFSA-N 401.938 3.566 10 40 HHCB COc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(O)cc2)cc1 408757047 ZJQDMFAITAWKTN-UDWIEESQSA-N 414.417 3.964 10 40 HHCB Cc1cc(N2CCCC2)ccc1/C=C1\NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 408960206 JORCRCUPUPLXND-MOSHPQCFSA-N 406.442 3.596 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)ccc1O 4672981 RKNAMSLPQDLZES-UKTHLTGXSA-N 416.886 3.584 10 40 HHCB CNC(=O)c1cccc(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3C)c2C)c1 7327664 TXYGXLFBPRNWTO-UHFFFAOYSA-N 419.481 3.558 10 40 HHCB COc1ccc(N2CCN(C(=O)Cc3csc(-c4ccccc4F)n3)CC2)cc1 11865897 PBXBHWROUJNKGZ-UHFFFAOYSA-N 411.502 3.849 10 40 HHCB Cc1cccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 13007816 AJAFXHWMRWJPAE-DEOSSOPVSA-N 407.558 3.710 10 40 HHCB COc1cc(/C=C2/SC(Nc3cccc(Cl)c3)=NC2=O)ccc1OCC(=O)O 16915515 PJUKSGHGEPVFBT-LZYBPNLTSA-N 418.858 3.894 10 40 HHCB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1C 34707131 UEDWPHFUAGTIHR-MOSHPQCFSA-N 415.449 3.562 10 40 HHCB COc1ccc(C(=O)Oc2cccc(/C=C3/C(=N)N4C=CSC4=NC3=O)c2)cc1 41108262 JMXHGGUXARFADK-SABKFZPKSA-N 405.435 3.691 10 40 HHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)c1 4675400 PYYBYMHVHJPNKI-RCCKNPSSSA-N 403.482 3.960 10 40 HHCB CN(C)c1ccc(CN(C(=O)c2cccc3ccccc23)[C@H]2CCS(=O)(=O)C2)cc1 6351352 RMGDEDGTEIMSCK-NRFANRHFSA-N 422.550 3.735 10 40 HHCB CC(C)OC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)cc1 13615671 IXBJNSVFPVYAIZ-ZHZULCJRSA-N 416.433 3.973 10 40 HHCB COCCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)C(C(=O)OC)=C1C 408975968 DEWLJQWLSFJQSJ-JWGURIENSA-N 421.493 3.975 10 40 HHCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NCCc1ccc(O)cc1 9348022 IASOPKIGFVNDBK-LLLGHMJXSA-N 424.547 3.509 10 40 HHCB CCOc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33739190 GSPGTYMPESKDMD-ZROIWOOFSA-N 421.678 3.963 10 40 HHCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1ccccc1Cl 107984689 JEDFJGRJRHDJPI-NTMALXAHSA-N 410.257 3.876 10 40 HHCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1Cc1ccccc1Cl 408876579 QENYOFSUMRWVPM-UHFFFAOYSA-N 419.264 3.732 10 40 HHCB COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1 409341433 BRMXAYBSHIOYCR-MHWRWJLKSA-N 403.456 3.783 10 40 HHCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3ccc4c(c3)OCO4)c2C)cc1 3392773 KOHADCKSHSSISX-UHFFFAOYSA-N 407.422 3.871 10 40 HHCB COc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)cc(OC)c1O 4150979 CPWCSHUNSXDGOT-OVCLIPMQSA-N 417.259 3.978 10 40 HHCB CCc1ccc(N2C(=O)/C(=C3/C(=O)N(C(C)=O)c4ccccc43)SC2=S)cc1 5552086 GWKNWXHDECQBIQ-ZCXUNETKSA-N 408.504 3.918 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c[nH]c4ccc(Br)cc34)C2=O)cc1 9259893 COFQZQYHNYOXKS-LZYBPNLTSA-N 424.254 3.905 10 40 HHCB O=C(NN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)c1cccc([N+](=O)[O-])c1 13476281 LFACTGPSVPMQGQ-RIYZIHGNSA-N 419.871 3.794 10 40 HHCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(C(N)=O)cc3)c2C)cc1F 23046099 SQNZRKFCAPTBFP-UHFFFAOYSA-N 408.429 3.680 10 40 HHCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1 78800543 ABJZQDDZSBJFPY-IFMALSPDSA-N 414.933 3.917 10 40 HHCB COCCC(=O)N[C@@]1(C)C[C@H](c2ccc(O)c(CN(C)C)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257320285 VWAXRBPDIUMMKO-PMCWDRFCSA-N 418.578 3.631 10 40 HHCB Cc1ccc(-n2nc(C)c(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)c2C)c(C)c1 408755790 FQJZKCANVMMPGO-MOSHPQCFSA-N 414.465 3.772 10 40 HHCB Cc1cc(N)ccc1/N=N/c1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1 4707580 LKAKVHLFQWPGQR-FMQUCBEESA-N 421.456 3.639 10 40 HHCB COc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 8741245 GPZCGGWKFSHTAE-UHFFFAOYSA-N 416.458 3.597 10 40 HHCB Cc1cc(C(=O)Nc2cccc(C(=O)N(C)C)c2)c(C)n1-c1ccc2c(c1)OCCO2 28509932 AQLKMTUSXCEVOF-UHFFFAOYSA-N 419.481 3.819 10 40 HHCB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1F 34846194 DKWALLQWQNDRSB-RGEXLXHISA-N 418.424 3.875 10 40 HHCB COc1cccc(-c2csc(NC=C3C(=O)OC4(CCCCC4)OC3=O)n2)c1 35592639 ANBUIVVLDCNADX-UHFFFAOYSA-N 400.456 3.875 10 40 HHCB COc1ccccc1NC1=NC(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)S1 35647603 ALFLIAAHXMULFH-GZTJUZNOSA-N 400.456 3.803 10 40 HHCB CCCCC1CCC(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 58431935 DVDGYGPRFNYXSE-CKHPTIKVSA-N 414.594 3.937 10 40 HHCB O=C1N=C(O)/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(Br)c1 59198291 DDXHNZCEDAKRQV-RIYZIHGNSA-N 416.187 3.864 10 40 HHCB COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O 59459816 CYECJBJAXNIRJX-DHDCSXOGSA-N 417.424 3.917 10 40 HHCB COc1cc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)ccc1OCC(=O)O 210456236 FMJVZHIGNQRTAP-SXGWCWSVSA-N 418.858 3.894 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl 408802954 JOLSBAPMVYZWOC-XYOKQWHBSA-N 405.237 3.977 10 40 HHCB N=C1/C(=C/c2cccn2Cc2ccccc2F)C(=O)N=C2SC(C(F)(F)F)=NN12 9425660 NUAZNMYDYNOAGN-DUTHXDNBSA-N 421.379 3.857 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 96257922 OWFMYLGFBMUNKY-GIDUJCDVSA-N 407.278 3.833 10 40 HHCB Cc1ccc(F)cc1N/C=C1/C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O 408553101 XGNPRBGUTXXMPC-WQLSENKSSA-N 407.829 3.670 10 40 HHCB O=C1N(CCOc2ccccc2)c2ccccc2[C@]12NN=C(c1ccccc1)S2 670431818 XRIQCUVRXLHEEX-HSZRJFAPSA-N 401.491 3.963 10 40 HHCB COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1O 59397726 DGLXXGIVONDKOW-NVNXTCNLSA-N 418.452 3.723 10 40 HHCB Cc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(C)n1-c1cccnc1 409128209 DWZHXTRGTFWVFC-UNOMPAQXSA-N 402.479 3.889 10 40 HHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(C)cc3)C2=O)cc1OCC 409200249 HGCJZWDNHLJAHQ-QGOAFFKASA-N 408.454 3.849 10 40 HHCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(F)cc3)C2=O)ccc1Br 726241 LNFXSWVPKDJALC-NTEUORMPSA-N 403.207 3.563 10 40 HHCB Cc1ccccc1N1CCN(C2=NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)S2)CC1 1471439 FWJUYQKPKHSBKG-RGEXLXHISA-N 408.483 3.696 10 40 HHCB COc1cccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1OC 1258658 ZGBDIGUQYXBJMC-LZYBPNLTSA-N 401.465 3.838 10 40 HHCB COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)O 2999980 LHPHSNLEEMIAGY-YVLHZVERSA-N 415.492 3.873 10 40 HHCB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCC(Cl)=N2)cc1 5671158 DIPOQRMJQHHHPP-MHWRWJLKSA-N 401.253 3.564 10 40 HHCB COc1ccc(N2CCN([C@H](c3ccccc3)c3nnnn3C3CCCC3)CC2)cc1 20121745 PNQJVDMZLHFLDZ-HSZRJFAPSA-N 418.545 3.708 10 40 HHCB O=S(=O)(Cc1ccccc1)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cc1 1926248 RASZMSOOFZXNHP-UHFFFAOYSA-N 416.524 3.570 10 40 HHCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 4077100 KWIFGGDVXLFVGT-RDQDRAATSA-N 400.319 3.760 10 40 HHCB O=C(O)c1ccccc1-c1ccc(/C=C2\C(=O)N(c3cccnc3)C(=O)N=C2O)o1 15013712 WWXGTIMEKLWIGO-YBEGLDIGSA-N 403.350 3.547 10 40 HHCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 16160772 FWVJRBIFXSXEPX-PGMHBOJBSA-N 424.526 3.580 10 40 HHCB CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(N)ccc21 22048938 SCDBRTCWHLGIMU-UHFFFAOYSA-N 401.466 3.969 10 40 HHCB in-vitro O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/Nc1cccc(Br)c1 408534476 QYDICUDCMSLZHN-FMIVXFBMSA-N 420.650 3.681 10 40 HHCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc(Oc2ccccc2)cc1 408547107 XVCWOZHYLOHGKB-UYRXBGFRSA-N 403.394 3.646 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1Cl 408985963 LGDBVRSTXWVTKV-QPEQYQDCSA-N 420.208 3.876 10 40 HHCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)NC1=S 409096849 LGBYUWFSPRROEO-FOWTUZBSSA-N 409.486 3.566 10 40 HHCB Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 631629 VKGNBENPIWSSNL-CIAFOILYSA-N 405.429 3.993 10 40 HHCB COC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCC2 3864141 RMGYGYBIBZRJDX-KNPMLCFXSA-N 403.500 3.655 10 40 HHCB COc1ccc(N2CCN(CC(=O)N(Cc3ccccc3)Cc3ccco3)CC2)cc1 12589637 SUQMBTUMBGWVSV-UHFFFAOYSA-N 419.525 3.639 10 40 HHCB C[C@H]1CCc2c(sc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2C(N)=O)C1 13061756 SWKUMRAJPFJQGO-VIFPVBQESA-N 418.462 3.791 10 40 HHCB COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc(Cl)c1O 59135862 SVMFGOXWBUBGEU-UXBLZVDNSA-N 406.822 3.865 10 40 HHCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cccc(OC)c1OC 408896381 YIMFJWLVRIWPES-UYRXBGFRSA-N 423.465 3.585 10 40 HHCB COCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O 409137827 YZVLXJYJLMZYLN-BOPFTXTBSA-N 401.444 3.685 10 40 HHCB COc1ccc(CCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8963244 ACFJRNGHEIOIAQ-DEOSSOPVSA-N 407.558 3.573 10 40 HHCB CCOC(=O)[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(Br)cc3)S2)C1 9188895 SCCOYKHYCUMVTA-OJNRTJSBSA-N 423.332 3.695 10 40 HHCB NC(=O)CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccccc1 44085474 LTOUBKUFFKLIRB-UHFFFAOYSA-N 402.317 3.938 10 40 HHCB COc1cc(/C=C2/C(=O)NC(=O)N=C2O)cc(Cl)c1OCc1ccccc1F 58823237 YTXJQNUUHZXOBU-UHFFFAOYSA-N 404.781 3.656 10 40 HHCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)O)c(Br)c1 408903526 ZCYPQGZDBUTYDM-OQLLNIDSSA-N 415.243 3.719 10 40 HHCB CN(C)c1ccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1 13616027 VQXXDNHRQJJNBS-XIDKLXSXSA-N 412.536 3.650 10 40 HHCB COC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C2=O)CC1 102988141 RJYFEDGPEXZVEE-NZXNHFJFSA-N 420.469 3.619 10 40 HHCB CCN(CC)c1ccc(CNS(=O)(=O)Cc2cccc(Br)c2)cc1 224975165 MQKDHTFGNYCGNE-UHFFFAOYSA-N 411.365 3.915 10 40 HHCB COc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 3392280 FZDGNXANZVEPGE-UHFFFAOYSA-N 407.422 3.871 10 40 HHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(F)c(N3CCCC3)cc2C)C1=O 6026920 WEWXZVSWRWWRJP-QGOAFFKASA-N 421.472 3.963 10 40 HHCB COc1ccc(N2CCN(C[C@@H](O)COc3ccccc3-c3ccccc3)CC2)cc1 12420116 JGPIZCYHSHUITB-HSZRJFAPSA-N 418.537 3.924 10 40 HHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2cccc(C)c2)C1=O 409233656 HBIGSRFPYNDUCU-XDJHFCHBSA-N 415.449 3.851 10 40 HHCB CCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3ccc(C)cn3c2=O)SC1=S 2255402 CDFJTAJNWDRPRE-DHDCSXOGSA-N 416.572 3.682 10 40 HHCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(OC)c1 4853852 IYTFLVDIBMQATD-DEDYPNTBSA-N 421.497 3.825 10 40 HHCB COc1ccc(N2CCN([C@@H](c3ccc(C)cc3)c3nnnn3C(C)(C)C)CC2)cc1 20139296 GNEKUGIRCMDEKH-QFIPXVFZSA-N 420.561 3.657 10 40 HHCB COc1cc(Br)c(/C=C2\SC(NC3CCCC3)=NC2=O)cc1OC 20987601 KTGOZGOYUCPERA-NVNXTCNLSA-N 411.321 3.969 10 40 HHCB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc2c(c1)CCCN2C 58322914 QUGFCKHWGQGAST-QFIPXVFZSA-N 409.530 3.636 10 40 HHCB CCCOc1cc(OC)ccc1/C=C1/C(=O)NC(=O)N(c2ccccc2CC)C1=O 408869796 UAFSDMOQIRBVTM-AQTBWJFISA-N 408.454 3.713 10 40 HHCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(Br)o2)C1=O 409201925 PDCOAAMZFYSPEK-JXMROGBWSA-N 409.623 3.670 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1Cl 409243626 XEOWPFJHXSTMKH-DHZHZOJOSA-N 407.278 3.833 10 40 HHCB CCN(CC)c1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)OC2=O)cc1 3100974 FOPPUNPQXOGMRK-NVMNQCDNSA-N 410.386 3.694 10 40 HHCB CN(CCO)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 7885106 OCAPDHLMPMVDBW-QHCPKHFHSA-N 417.465 3.615 10 40 HHCB CCOc1cccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(C)=C2C(=O)OC)c1O 108172352 KEYQNMVBNPAPQZ-ATVHPVEESA-N 424.409 3.576 10 40 HHCB O=C(NCc1ccc(N2CCCC2)cc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 225881120 DKIXAWJFHSBHDC-QJOMJCCJSA-N 415.493 3.967 10 40 HHCB Cc1cc(N2CCCC2)c(C)cc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O 408552413 TVMXOQQYZMZGTJ-CPNJWEJPSA-N 413.543 3.562 10 40 HHCB Cc1cc(C(=O)COC(=O)c2cccnc2Cl)c(C)n1-c1ccc2c(c1)OCO2 3397068 HGMJSXPCOJVHOA-UHFFFAOYSA-N 412.829 3.911 10 40 HHCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)cc1OC 100207985 WUCIZUDWKUGCAU-MOSHPQCFSA-N 423.465 3.980 10 40 HHCB O=C1NC(=S)S/C1=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1 408528732 FFZVILRADWYWHK-ZROIWOOFSA-N 411.913 3.597 10 40 HHCB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 408952228 LNLOTSHDTYBCNM-CPNJWEJPSA-N 421.840 3.806 10 40 HHCB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 409382142 LGPGBWAVCOECRT-ODLFYWEKSA-N 406.394 3.675 10 40 HHCB COC(=O)c1[nH]c2ccccc2c1/C=C1/C(=O)N(Cc2ccc(F)cc2)C(=O)N=C1O 2289805 CCAKQCFQNBTLBJ-MHWRWJLKSA-N 421.384 3.596 10 40 HHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(CC)CC)cc3C)C2=O)cc1 4747755 VHMHPECKHDGZAQ-RCCKNPSSSA-N 421.497 3.906 10 40 HHCB COc1ccc(CCN2C(=O)/C(=C/c3ccc(O)c(OC)c3)SC2=S)cc1 5372010 YSMIZFLAQUHFGC-PDGQHHTCSA-N 401.509 3.853 10 40 HHCB C[C@@H](NC(=O)C1(c2ccccc2F)CCOCC1)c1ccc(N2CCOCC2)cc1 19662209 AVMIVDYUJUIZIF-GOSISDBHSA-N 412.505 3.588 10 40 HHCB COc1ccc(N2CCN(c3ncnc4c3cnn4-c3cccc(Cl)c3)CC2)cc1 20662080 YZXXFZLPWVVQHF-UHFFFAOYSA-N 420.904 3.804 10 40 HHCB CN1CCCc2cc([C@@H](CNC(=O)c3ccc(Cl)cc3)N3CCOCC3)ccc21 21886898 RTUGIXBJSDPDLF-JOCHJYFZSA-N 413.949 3.526 10 40 HHCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1cccs1 41078434 QPWGCXHJOMLWNK-PIIADTLSSA-N 423.450 3.816 10 40 HHCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(C(=O)O)cc1[N+](=O)[O-] 100929794 GECHTFRVUIZVIP-ZROIWOOFSA-N 400.778 3.665 10 40 HHCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OC(C)C 409138576 DWNJPZUPKIHAAE-GZTJUZNOSA-N 424.522 3.931 10 40 HHCB CN1C(=O)N=C(O)/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 1202922 PLQGFZBEGDBZGS-LICLKQGHSA-N 404.382 3.530 10 40 HHCB O=C(Nc1ccc(N2CCOCC2)c2c1C(=O)c1ccccc1C2=O)c1ccccc1 4600854 NPAYCRBOZDRARN-UHFFFAOYSA-N 412.445 3.551 10 40 HHCB Cc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)o1 32624695 OBGYRHBLISIYHS-MDWZMJQESA-N 423.313 3.897 10 40 HHCB O=C1/C(=C\N2CCN(c3ccc(F)cc3)CC2)SC(=S)N1c1ccc(F)cc1 101652737 KCEIJMCKOVKBMG-QGOAFFKASA-N 417.506 3.993 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(C)C 408814150 NYAYISSQJYGQEB-LDADJPATSA-N 408.454 3.847 10 40 HHCB CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)C(=O)N(c2ccc(Cl)cc2)C1=S 5926597 XAMIJEGMQUPQMX-QGOAFFKASA-N 413.930 3.970 10 40 HHCB COc1ccc(-n2nnnc2CNC(=O)CC(c2ccccc2)c2ccccc2)cc1 9570403 OMTCNTCWBULAJN-UHFFFAOYSA-N 413.481 3.509 10 40 HHCB CCn1cc(Br)c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 13959585 IGFORYDVLGJVSV-UHFFFAOYSA-N 424.254 3.693 10 40 HHCB COC(=O)C1=CN(c2ccc(Br)c(C)c2)c2ccccc2S1(=O)=O 64979166 WIOAXADECGNWBO-UHFFFAOYSA-N 408.273 3.697 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(OC(C)C)c1 408795461 CEJXVZLNOZHFIF-WOJGMQOQSA-N 408.454 3.766 10 40 HHCB O=C1C[C@@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C(=O)N1c1ccccc1 8860076 RWSRJUNGNDTLNN-ONPCLQBLSA-N 420.515 3.776 10 40 HHCB CCCn1ccnc1SCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 15279279 KVCXTVLVEUEWLH-UHFFFAOYSA-N 405.479 3.799 10 40 HHCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3C)C(=O)N=C2O)cc([N+](=O)[O-])c1O 23422993 VBMJEMPBXAREMT-MDWZMJQESA-N 411.370 3.514 10 40 HHCB COc1ccc([C@H](CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)NC(C)=O)cc1 27157269 IEHAWRBBMYZYFQ-DEOSSOPVSA-N 423.557 3.911 10 40 HHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 27157475 UVNOTHQSWIYHDU-UHFFFAOYSA-N 416.525 3.605 10 40 HHCB CCN(CC)CCNC(=O)c1ccc(NCc2cc(Br)ccc2O)cc1 44836186 LMNRYTAYYHPKOL-UHFFFAOYSA-N 420.351 3.838 10 40 HHCB COc1cc(N2CCOCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222608128 UQMGUZKDCXJUIC-ONGXBYRLSA-N 410.543 3.516 10 40 HHCB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)NC2=S)cc1 9264492 SWNOZLPYJPUIRE-HMMYKYKNSA-N 421.522 3.517 10 40 HHCB CN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCCOc2ccccc2)SC1=S 13894122 WCQJFDOLRLCBBA-ATVHPVEESA-N 416.480 3.884 10 40 HHCB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1C 33584428 WPIPSDCBFYBKLV-NDENLUEZSA-N 415.449 3.562 10 40 HHCB Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)cc1 96006417 HWOSFDZRMGBETF-DEOSSOPVSA-N 403.526 3.591 10 40 HHCB CC(C)(C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] 108215200 OEUCTKUDRWGMBJ-GDNBJRDFSA-N 415.833 3.887 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC 408802240 YPRYUKMTMJCMFJ-MHWRWJLKSA-N 414.845 3.804 10 40 HHCB CCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 408818547 YJPDUNPOUYJZBX-SFQUDFHCSA-N 414.845 3.804 10 40 HHCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccccc1Br 6348344 ZNHNHDXEMFFBIW-YBEGLDIGSA-N 413.271 3.717 10 40 HHCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc(Cl)cc1 12362880 CIADUBHGOBZQQW-AQTBWJFISA-N 407.882 3.962 10 40 HHCB CCc1noc(-c2ccc(N3CCN(c4ccc(OC)cc4)CC3)c([N+](=O)[O-])c2)n1 20897993 PUDSXFXMASNBGF-UHFFFAOYSA-N 409.446 3.542 10 40 HHCB O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 32914722 VDYWXZYVECTRBQ-UHFFFAOYSA-N 408.502 3.728 10 40 HHCB COc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)o2)c([N+](=O)[O-])c1 41108136 LWBXCOVAGUFQEI-YHQBCCDLSA-N 411.399 3.502 10 40 HHCB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 113970150 FUPQBTSRXIRPNJ-NRFANRHFSA-N 402.922 3.959 10 40 HHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C 223017371 BOZBNIUWKDGKDL-LEWJYISDSA-N 421.570 3.811 10 40 HHCB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1178131 MJWFJHPMYDZYEC-SFQUDFHCSA-N 409.398 3.649 10 40 HHCB O=C1/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC(=S)N1c1ccccc1 9419434 XZZIXFGNOFHJCH-VCHYOVAHSA-N 422.487 3.705 10 40 HHCB Cc1ccc(Cl)cc1N1C(=O)N=C(O)/C(=C/c2ccc(OCC(=O)O)cc2)C1=O 33306169 KFYYYLWJVPZHLB-NVNXTCNLSA-N 414.801 3.619 10 40 HHCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O 96444331 IEVOVCUIGLZUKK-ZCQLHAAUSA-N 413.499 3.785 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cn4)c3C)C2=O)cc1 408964431 RNOUSVJXHMILEQ-UDWIEESQSA-N 414.465 3.772 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 409228417 AAABPGZVQUWTMY-MHWRWJLKSA-N 400.887 3.878 10 40 HHCB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CC[C@@H](C)C2 35898124 KTHFHVLRIZBOIV-YEJOONJESA-N 417.527 3.901 10 40 HHCB CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 137535298 DGHHDANZEPTKRU-RJGXRXQPSA-N 413.477 3.804 10 40 HHCB CCCc1cc(C(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N(C)c3ccccc3)C2)no1 257319151 VQYSKVKBCMOZHW-MRXNPFEDSA-N 421.501 3.647 10 40 HHCB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1cccc(C(=O)O)c1 1235909 NJCAXNRBDBLBJL-LFIBNONCSA-N 412.492 3.615 10 40 HHCB CN1C(=O)/C(=C/c2cccc(OCCOc3ccc([N+](=O)[O-])cc3)c2)SC1=S 33511483 JWNHQAWFTXYPMS-ATVHPVEESA-N 416.480 3.884 10 40 HHCB Cc1nn(-c2ccccc2)c(C)c1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 41074175 ZUUFWUBIARFZJU-UNOMPAQXSA-N 420.856 3.809 10 40 HHCB COc1ccc(N2CCN(CCNC(=O)c3cc(Cl)ccc3Cl)CC2)cc1 56997192 LQRGRAFFZJVRQZ-UHFFFAOYSA-N 408.329 3.554 10 40 HHCB COc1ccc(N2CCC(NC(=O)COc3cccc4c3OC(C)(C)C4)CC2)cc1 84673802 KKBUKVFMBZIVIF-UHFFFAOYSA-N 410.514 3.573 10 40 HHCB O=C(O)c1cccc(F)c1OCC(=O)N(Cc1ccccc1)Cc1ccccc1O 257219124 DFRLQLWBWMXMKY-UHFFFAOYSA-N 409.413 3.837 10 40 HHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 408967846 XNZPTYIDQWMHQV-LDADJPATSA-N 407.813 3.503 10 40 HHCB CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1C 409103764 FSXSREAPWIGLAM-XNTDXEJSSA-N 401.919 3.918 10 40 HHCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 409250948 OZRPXIJGXYYGPM-XSFVSMFZSA-N 419.481 3.660 10 40 HHCB CCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OC(C)C)C(=O)NC2=S)cc1 409383256 SUPOSYPGKIAUQO-QGOAFFKASA-N 424.522 3.876 10 40 HHCB CCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)C(=O)N(c2ccccc2)C1=S 642061 GRIAGFHAJQSJQC-LGMDPLHJSA-N 410.495 3.658 10 40 HHCB Cc1cc(C(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 3358319 QUGWXFLHJBWUSJ-OAQYLSRUSA-N 419.456 3.579 10 40 HHCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1O 5214116 DFCZEMXOIANAGV-BOPFTXTBSA-N 414.508 3.646 10 40 HHCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)NCCC1=CCCCC1 5517185 HWWGJJWHZPPPNC-UHFFFAOYSA-N 417.461 3.626 10 40 HHCB O=C1NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1c(O)ccc2c1C=CCC2 5749906 QLQUAZFCSMKOIJ-BOPFTXTBSA-N 400.356 3.832 10 40 HHCB CN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)NC1=S 5879172 VCKOEYXFULCWCC-DEDYPNTBSA-N 402.475 3.675 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(CNc3ccc([N+](=O)[O-])cc3)C2=O)cc1 3843282 UVYGVEANHMLMNZ-YBEGLDIGSA-N 401.469 3.874 10 40 HHCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(SCc2ccco2)o1 5025783 CLCMUGBARCFNCR-YBEGLDIGSA-N 412.398 3.970 10 40 HHCB COC(=O)c1ccccc1NC(=O)Cn1c(CCC(=O)O)ccc1-c1ccc(C)cc1 6811741 GXCGQTMWSBMOCW-UHFFFAOYSA-N 420.465 3.906 10 40 HHCB CCCCN1CCc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)ccc21 9109499 GFGIGGYFDHLZNQ-HMMYKYKNSA-N 419.481 3.524 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 13616204 YAIOXFFXFLGIRP-PDGQHHTCSA-N 417.377 3.830 10 40 HHCB CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)OC)C2=O)ccc1O 26510044 JZVRSWDBBVUDLD-VBKFSLOCSA-N 409.529 3.726 10 40 HHCB O=C(C1=CN(c2cc(F)cc(F)c2)c2ccccc2S1(=O)=O)N1CCCCC1 48988485 YBLWTEHHVKYKQO-UHFFFAOYSA-N 404.438 3.744 10 40 HHCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 223623061 MOOYYNJBXNAMGA-FCHUYYIVSA-N 421.570 3.547 10 40 HHCB CCN(CC)c1cc2[nH]c(O)nc2cc1N/C=C1\C(=O)N(c2ccc(F)cc2)N=C1C 408532922 MZMXNLKYJSVUSJ-VBKFSLOCSA-N 422.464 3.972 10 40 HHCB Cc1c(/C=C2\C(=O)NC(=S)N(C)C2=O)c2ccccc2n1Cc1ccccc1Cl 408912955 IUYRJYTYHFZBRP-GZTJUZNOSA-N 423.925 3.908 10 40 HHCB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccccc1OC 409061645 YXLNXFQGTJOOSP-ATVHPVEESA-N 409.438 3.590 10 40 HHCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccccc1 4677060 KVQSIVMZLNFQLK-CPNJWEJPSA-N 409.511 3.753 10 40 HHCB CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)Cc1ccc(Cl)cc1Cl 8067321 NWLTUCVVMOPDRC-UHFFFAOYSA-N 409.313 3.804 10 40 HHCB Cc1ccccc1N1C(=O)/C(=C\c2cc(C)n(N3CCCC3)c2C)C(O)=NC1=S 32116684 CVXCJEYXEKRFKN-AQTBWJFISA-N 408.527 3.817 10 40 HHCB COc1cc([N+](=O)[O-])cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1O 36384723 XCNGIKAKVHVOMZ-OVCLIPMQSA-N 402.453 3.710 10 40 HHCB COc1ccc2c(/C=C3\SC(=S)N([C@@H](CCSC)C(=O)O)C3=O)c[nH]c2c1 51330857 QILMKFOZODAQNJ-FQNPWXFGSA-N 422.553 3.584 10 40 HHCB COC(=O)c1ccc(Cl)c(NC(=S)NCCCN2CCc3ccccc32)c1 225560362 FHUWQKPRUZIYDZ-UHFFFAOYSA-N 403.935 3.866 10 40 HHCB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC1=S 409210971 MHFUQUPWTHDNTQ-YVLHZVERSA-N 417.483 3.779 10 40 HHCB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3nc4ccc(Cl)cc4s3)C2=O)c1 4838023 PSFPBZDBKAYVKC-LCYFTJDESA-N 412.858 3.837 10 40 HHCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCCCC4)cc3)C2=O)cc1 5516439 MLJLFIRSOPLKGV-LTGZKZEYSA-N 419.481 3.742 10 40 HHCB COc1ccc(OCc2cc(O)n3ncc(C(=O)Nc4ccc(C)cc4)c3n2)cc1 19210703 JKBSHMLNYNFFJD-UHFFFAOYSA-N 404.426 3.583 10 40 HHCB CN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1 27530380 TVRFIKDRCUJQPJ-CXUHLZMHSA-N 400.481 3.562 10 40 HHCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C/N2CCOCC2)SC1=S 30819378 UQOOPEQFYSYDPK-NXVVXOECSA-N 414.593 3.616 10 40 HHCB CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCCCC4)cc3)C2=O)c1 208489674 BHXDECPTQGAPTE-QNGOZBTKSA-N 419.481 3.742 10 40 HHCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 408798120 UMSVNYWXQFLBAB-PDGQHHTCSA-N 409.438 3.590 10 40 HHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2c(OC)ccc3ccccc23)C1=O 409231533 LAYLJNLPUPVZSE-JXAWBTAJSA-N 416.433 3.914 10 40 HHCB COc1ccccc1C(=O)NN1C(=O)/C(=C\c2cc3ccccc3n2C)SC1=S 8821931 LDSOHJIJIZANSY-LDADJPATSA-N 423.519 3.733 10 40 HHCB C[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 218567570 KQJVUIRXEFANIG-SJORKVTESA-N 415.559 3.785 10 40 HHCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 408960245 KDLPEHQBGACWQW-CPNJWEJPSA-N 409.873 3.997 10 40 HHCB Cc1ccc(COc2c(Cl)cc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)cc1 409044892 DDEZTJCIYNBGHO-UHFFFAOYSA-N 421.305 3.795 10 40 HHCB O=S(=O)(c1cccs1)N1CCN(Cc2cc(Cl)c3ccccc3c2O)CC1 25665620 LGBYGHDUFMSLBN-UHFFFAOYSA-N 422.959 3.767 10 40 HHCB COC(=O)C1=C(C)N2C(=N)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)N=C2S1 41074372 WEEYGHXQFUREJK-MQIWZSEOSA-N 420.494 3.804 10 40 HHCB CCOC(=O)N1CCC2(CC1)N=C(c1cccc(O)c1)C[C@@H](c1ccccc1O)N2 80324952 UHIMGYSJPPMABJ-FQEVSTJZSA-N 409.486 3.570 10 40 HHCB O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cccnc1 1252280 GENKWPWNYSHYRY-GDNBJRDFSA-N 403.916 3.965 10 40 HHCB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc(N(C)C)cc3)c2)cc1 8171639 QEDNTBANTVRIOG-UHFFFAOYSA-N 423.538 3.792 10 40 HHCB COc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 12629203 ZWWAFBQHVMIWPQ-GJXXPDGXSA-N 419.462 4.000 10 40 HHCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(NCC(C)C)nc12 13712247 FTLXXJUDYIBHAX-DHDCSXOGSA-N 416.572 3.680 10 40 HHCB C[C@H]1CN(c2ccc(CNC(=O)c3c(Cl)nc4ccccn34)cc2F)C[C@H](C)O1 57376721 LBKZXPJJLLKWTK-KBPBESRZSA-N 416.884 3.670 10 40 HHCB COc1ccc(N2N=C(C)/C(=C(\C)Nc3cc(OC)c(OC)c(OC)c3)C2=O)cc1 100423033 WQHHQVTYVLIXTL-MOSHPQCFSA-N 411.458 3.830 10 40 HHCB COc1ccc(N/C=C2\C(=O)N=C(S)N(CCC3=CCCCC3)C2=O)c(OC)c1 103100727 RHUGHXVLXMDRDW-DTQAZKPQSA-N 415.515 3.545 10 40 HHCB COc1ccccc1C1=NO[C@](C)(C(=O)NCc2ccc(N3CCCCC3)cc2)C1 141569454 YYCOOZCGNRMCSZ-DEOSSOPVSA-N 407.514 3.885 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OC)c1 408806522 JMKCZXLMJKHBPQ-NTUHNPAUSA-N 421.236 3.677 10 40 HHCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(Cl)c3)C2=O)cc1 408901175 WQCQWZDJYVOOFQ-WJDWOHSUSA-N 414.845 3.891 10 40 HHCB COC(=O)Cc1c(C)c2ccc(O)c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c2oc1=O 100797916 FMZMZERQRMDNSC-MYYSRTQBSA-N 413.514 3.923 10 40 HHCB biogenic COc1ccc(-n2c(C)cc(C(=O)Cn3ncc(Cl)c(Cl)c3=O)c2C)cc1 5623815 CTRSNNGGQPDACF-UHFFFAOYSA-N 406.269 3.849 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)cc1OC 9188345 IQRIMBJFWBEQBG-AQTBWJFISA-N 401.509 3.984 10 40 HHCB Cc1cccc2[nH]cc(C3=CCN(c4nc5ccccn5c(=O)c4[N+](=O)[O-])CC3)c12 40139291 KKXMYOGOXSLOAC-UHFFFAOYSA-N 401.426 3.686 10 40 HHCB C[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(F)cc1 40149057 YWLWGHDIODPLTD-QGZVFWFLSA-N 418.534 3.637 10 40 HHCB N=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SC(N3CCCCC3)=NN12 41084688 LKTWVOKTTSQEOQ-YGBCANGESA-N 424.313 3.762 10 40 HHCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 409010869 FUYRROJUWVMDNT-FFCYNSPCSA-N 415.423 3.633 10 40 HHCB CCCCN1CCc2cc(/C=C3\C(=O)N=C(O)N(Cc4ccccc4)C3=O)ccc21 2366383 BAANTKIROMCJGC-HMMYKYKNSA-N 403.482 3.716 10 40 HHCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc3c(c2)CCC3)cc1 8026851 FVGOOPXPHUJBLP-QFIPXVFZSA-N 414.571 3.611 10 40 HHCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)C2=O)c1 9259868 SRGLCJHKCFUSND-PXNMLYILSA-N 424.254 3.905 10 40 HHCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)N2CCCC2)cc1 15970836 FJKKGIYVDZUNMO-ZKMPZPQNSA-N 413.606 3.823 10 40 HHCB biogenic CCc1ccc(N2NC(=O)/C(=C/c3ccc(OC(=O)c4cccs4)cc3)C2=O)cc1 8461781 OYJLZPUKDQWXDT-RGEXLXHISA-N 418.474 3.991 10 40 HHCB Cc1cc([C@H](O)C2C(=O)OC(C)(C)OC2=O)c(C)n1-c1ccccc1C(F)(F)F 48149658 PDKSPOZOMLNKBV-INIZCTEOSA-N 411.376 3.599 10 40 HHCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccc(F)c(F)c1 89857714 CLURKRAXNGUKGF-UHFFFAOYSA-N 421.355 3.536 10 40 HHCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCC3)cc2C)C1=O 408960703 OBMVNIKMSZDFCN-HMMYKYKNSA-N 403.482 3.824 10 40 HHCB CCCCCOC(=O)CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1767641 FQVIRODMQFZZMA-WJDWOHSUSA-N 407.513 3.740 10 40 HHCB CCCOc1ccccc1/C=C1\C(=O)NN(c2ccc(Br)cc2)C1=O 3068589 HKOSWRKZHFMOBJ-FOWTUZBSSA-N 401.260 3.699 10 40 HHCB COc1ccc(N2CCN(C[C@H](O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1 20347317 QOILUQJKOKOYES-IBGZPJMESA-N 404.938 3.527 10 40 HHCB COc1ccc(Br)cc1/C=C1\SC(NC(=O)c2ccccc2)=NC1=O 409137601 WDUJGTBJXTUFNX-GDNBJRDFSA-N 417.284 3.858 10 40 HHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(Br)c1 1205031 NBGVCLOOXDMZAN-ZROIWOOFSA-N 405.635 3.769 10 40 HHCB COC(=O)c1ccc([C@@H]2Nc3ccc(C(=O)NCCC(=O)O)cc3[C@H]3C=CC[C@H]32)cc1 4623628 XFZYFNFEFFKRCP-SVMVAKDDSA-N 420.465 3.504 10 40 HHCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COc2ccccc2Cl)cc1 6747946 LHKFTIQWIZVMMU-IBGZPJMESA-N 402.922 3.993 10 40 HHCB COc1cccc([C@@H](c2ccc3c(OC)cccc3c2O)N2CCN(C)CC2)c1OC 20648100 QNKYBIGRSDDRSM-HSZRJFAPSA-N 422.525 3.908 10 40 HHCB Cc1cccc(N2C(=O)/C(=C\N3c4ccc(F)cc4CC[C@H]3C)C(=O)NC2=S)c1 98086675 NXRCLTJSJGUOFU-IIMQCXAKSA-N 409.486 3.607 10 40 HHCB O=C(NN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S)c1ccc(Cl)cc1 206238639 USKUKDFGMFVYLX-NTEUORMPSA-N 419.871 3.794 10 40 HHCB CCc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 408553057 WLHOZMIKQQOADT-UVTDQMKNSA-N 403.866 3.785 10 40 HHCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OCC 408797203 BTSYQKZOHCANPT-QGOAFFKASA-N 408.454 3.849 10 40 HHCB Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)NC2=S)c1 408961389 SKKQVFCZQLLYBC-HMMYKYKNSA-N 405.523 3.817 10 40 HHCB CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)C(=O)NC2=S)cc1 408961396 SNDXMPQMPOHWDE-HMMYKYKNSA-N 405.523 3.681 10 40 HHCB Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c1C 2224316 KTJYMAUETRCRIG-UDWIEESQSA-N 417.465 3.966 10 40 HHCB CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 5910434 GIEMGXFJMDURAZ-KNPMLCFXSA-N 403.500 3.654 10 40 HHCB CN1CCCc2cc([C@@H](CNS(=O)(=O)c3ccc4ccccc4c3)N(C)C)ccc21 8798819 QREBSSMBZCFVPL-XMMPIXPASA-N 423.582 3.803 10 40 HHCB CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C(=O)O)ccc3OCC)C2=O)cc1 16691693 PYPJOIZIRSZQHS-ATVHPVEESA-N 424.409 3.689 10 40 HHCB COc1ccc(N2CCN(C[C@@H](O)CCO[C@@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)CC2)cc1 28295578 AJDHPXQJIJMMJH-FEGXGRLVSA-N 416.606 3.800 10 40 HHCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1O 408983690 HAIJOGJRZSZPDR-XGICHPGQSA-N 421.236 3.682 10 40 HHCB COc1ccc(Br)cc1/C=C1\SC(N2C[C@@H](C)O[C@H](C)C2)=NC1=O 1183764 LZWXPMSBQBHKEF-RQFZQORDSA-N 411.321 3.537 10 40 HHCB CCn1cc(/C=C2\C(=O)N=C(O)N(Cc3ccc(OC)cc3)C2=O)c2ccccc21 2399374 GIIMMICXYDHJDR-XDHOZWIPSA-N 403.438 3.536 10 40 HHCB CCN1C(=O)C(=C/C=C\C=C2/N(C)c3ccccc3C2(C)C)C(=O)N(CC)C1=S 8665799 WUJCGRBBISIKPR-XAVAHWFRSA-N 409.555 3.776 10 40 HHCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C 13551147 DNGXZUNKRHKDHZ-WQLSENKSSA-N 408.310 3.780 10 40 HHCB CCCCN1CCc2cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)ccc21 13842508 ZNYAWUSSSUMYKI-CYVLTUHYSA-N 405.523 3.681 10 40 HHCB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 106693871 FQSKEOUIYUESIB-ZDLGFXPLSA-N 412.471 3.926 10 40 HHCB Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1NS(=O)(=O)c1ccccc1 224088254 VIPJRLHBZCGAJN-UHFFFAOYSA-N 423.538 3.792 10 40 HHCB CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCCC4)c(C)c3)C2=O)c1 408845742 HFSNHOLJAJCFCS-ZHZULCJRSA-N 419.481 3.660 10 40 HHCB CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409344000 IMWSGLVRXGGQEO-WOJGMQOQSA-N 411.439 3.580 10 40 HHCB Cc1cc(Br)c(O)c([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 1756433 NXDQHZDLIIEYSV-DOTOQJQBSA-N 401.260 3.633 10 40 HHCB biogenic O=C(O)CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 2299248 YDVVFXGGKIVZLQ-NTEUORMPSA-N 404.425 3.531 10 40 HHCB C[C@@H]1CN(C2=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)C[C@@H](C)O1 5234433 UIXNUDFWMNUMMU-ZDFMGPMUSA-N 413.455 3.934 10 40 HHCB CCCc1cc(C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)sc1C 5435622 OGNISICJTHKULD-UHFFFAOYSA-N 416.543 3.523 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OC(=O)c1ccco1 33628554 GEZRAXVQJFZRHP-VBKFSLOCSA-N 408.797 3.614 10 40 HHCB CC[C@@H](Nc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])c1ccccc1O 72277404 MWLQNLYQCNODOM-MRXNPFEDSA-N 407.492 3.894 10 40 HHCB COc1ccc([N+](=O)[O-])cc1/C=C1\C(=O)N(c2ccc(Cl)c(C(=O)O)c2)N=C1C 96193280 IHLFWQACFVFQFV-ZSOIEALJSA-N 415.789 3.761 10 40 HHCB O=c1[nH]c(/C=C/c2cc(/N=N\c3cccc(Cl)c3)ccc2O)c([N+](=O)[O-])c(=O)[nH]1 105542967 VSXZFGABHWHEOT-UAOPFNKOSA-N 413.777 3.916 10 40 HHCB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 107548052 AVGZDESZBKNBEP-QEEYODRMSA-N 419.477 3.560 10 40 HHCB Cc1cc(C(=O)[C@@H](C)Sc2nnnn2C)c(C)n1-c1ccc(OC(F)F)cc1 3278829 ZHVAFJYGWRGGCH-GFCCVEGCSA-N 407.446 3.583 10 40 HHCB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1ccc2c(c1)n(C)c(=O)n2C 408530801 MSXIGKJJICTCCA-RGEXLXHISA-N 411.465 3.749 10 40 HHCB COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2c1 408852454 LAERZEBMXZWUPU-XDHOZWIPSA-N 420.396 3.663 10 40 HHCB COc1ccc(C)cc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(N(C)C)cc1 40484490 KMMTZVZDMGINIZ-OAQYLSRUSA-N 418.501 3.589 10 40 HHCB COc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 96254762 MUEJTGQSLLHXLF-XYOKQWHBSA-N 407.278 3.833 10 40 HHCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NC[C@H]2CCCO2)cc1 112286442 XWAFANVYALZEQY-YLCCHKQJSA-N 409.461 3.628 10 40 HHCB COC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)C1=O 208229718 ASJAQGONFPEEBS-LFMVTYOGSA-N 402.516 3.926 10 40 HHCB O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S 2697121 KGHMXHZVJWLQFP-QPEQYQDCSA-N 424.297 3.995 10 40 HHCB CCOc1ccc(C[C@H]2SC(=S)N(Cc3cccnc3)C2=O)c(OCC)c1 6630780 QDMVUUHPKCFJFS-GOSISDBHSA-N 402.541 3.851 10 40 HHCB CCN(CC)c1ccc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 27021548 UJDPNBQCPKQBPN-HFIOFXJDSA-N 402.523 3.715 10 40 HHCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(Br)cc1 59435755 BCPBPEOFZXZDGX-YBEGLDIGSA-N 402.244 3.915 10 40 HHCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C 223010358 FACUSZHNCFEIQC-FCHUYYIVSA-N 422.554 3.814 10 40 HHCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/Nc1c(C)nn(-c2ccccc2)c1C 408757644 OHFRCQQQOYAQLY-DEDYPNTBSA-N 415.453 3.906 10 40 HHCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)C1=O 409100248 VRBKHQYRVAGPMR-UJFYRASASA-N 415.423 3.551 10 40 HHCB CCCN1C(=O)/C(=C\c2ccc(OC)c(I)c2)SC1=S 409348541 OILUTCFLVGAEFD-XYOKQWHBSA-N 419.309 3.911 10 40 HHCB COC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccc(OC)cc3)n2C)cc1 7423579 ZEYBOACOUMTMMY-UHFFFAOYSA-N 411.483 3.613 10 40 HHCB CCCCN1CCc2cc(/C=C3/C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)ccc21 13554404 GFGIGGYFDHLZNQ-HKWRFOASSA-N 419.481 3.524 10 40 HHCB COC(=O)COc1c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cccc1OC 408526720 BYNGXZGTPTWOGY-WJDWOHSUSA-N 421.540 3.781 10 40 HHCB CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)C1=O 409123316 GCTWBQYLPNJMGD-ZHZULCJRSA-N 411.527 3.987 10 40 HHCB Cc1cc2oc(=O)c3c(c2c(O)c1CN(C)C[C@@H]1CCCN2CCCC[C@H]12)CCC3 524729992 QKDKWEFQOMEWTO-LAUBAEHRSA-N 410.558 3.992 10 40 HHCB biogenic Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCCC4)o3)C2=O)cc1Cl 1163730 APMJUXGVSFVZSB-FOWTUZBSSA-N 413.861 3.898 10 40 HHCB CCOc1ccccc1/C=C1\SC(N2CCN(Cc3ccccc3)CC2)=NC1=O 12654212 IVBJRIUESKLPKG-PGMHBOJBSA-N 407.539 3.873 10 40 HHCB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCOCC1 222608702 MCGRRMQFZFSDBN-WQTXXOFMSA-N 424.570 3.906 10 40 HHCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)cc1 408961638 UHPPDXGEEPVQOG-RCCKNPSSSA-N 403.482 3.824 10 40 HHCB CN1CCc2cc([C@@H](CNC(=O)c3ccc(C(C)(C)C)cc3)N3CCOCC3)ccc21 22733517 ORZIDZYRXWRFKS-XMMPIXPASA-N 421.585 3.780 10 40 HHCB CCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OCC)C2=O)cc1OC 27563145 NRTUQWSMSPBENA-WJDWOHSUSA-N 409.529 3.638 10 40 HHCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O 409013837 WFGZUTDHWYBKPD-ZXMBATIKSA-N 413.499 3.785 10 40 HHCB COc1cc2c(cc1OC)C1=CC3(NC(=O)N1CC2)Nc1cccc2cccc(c12)N3 2366996 LYMPPRWOVMKASB-UHFFFAOYSA-N 414.465 3.971 10 40 HHCB biogenic O=C(O)CN1C(=O)/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2)SC1=S 3018451 UXTXMXDCQKQCOF-WOJGMQOQSA-N 410.520 3.535 10 40 HHCB COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C)SC4=NC3=O)c2C)c(OC)c1 9309711 QMHBSUUFHHGFOQ-WBXVYAGQSA-N 423.498 3.750 10 40 HHCB Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)N(C)Cc3cccc(F)c3)sc2n1 28996909 PJSHDXNSEUUVPI-CYBMUJFWSA-N 415.490 3.838 10 40 HHCB CN(C)c1ccc(CN(Cc2cnc(N(C)C)nc2)C2CC(C)(C)NC(C)(C)C2)cc1 36740469 HCVIGKNGCABKAL-UHFFFAOYSA-N 424.637 3.920 10 40 HHCB CCOC(=O)N1CCC2(CC1)N=C(c1cccc(O)c1)C[C@H](c1ccccc1O)N2 80324957 UHIMGYSJPPMABJ-HXUWFJFHSA-N 409.486 3.570 10 40 HHCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1 225797918 CNGABZGZLRSMPU-UHFFFAOYSA-N 421.588 3.692 10 40 HHCB O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21)N1CCOCC1 4329533 BOXDQYQHYPJUCU-BBTUJRGHSA-N 405.454 3.894 10 40 HHCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)C(=O)NC2=S)cc1 6026610 MPYBJIRAOVTSPB-HMMYKYKNSA-N 421.522 3.517 10 40 HHCB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C)c(C)n1-c1ccc2c(c1)OCO2 6129750 WBIHVJHJAWAYAS-UHFFFAOYSA-N 410.499 3.804 10 40 HHCB O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21)N1CCOCC1 13801624 BOXDQYQHYPJUCU-DBXWQHBBSA-N 405.454 3.894 10 40 HHCB Cc1cc(/C=C/C(=O)N2CSC[C@H]2C(=O)N2CCCC2)c(C)n1-c1ccccc1 65607145 TVJJVZOKVAJTNZ-ZJVMWOEPSA-N 409.555 3.631 10 40 HHCB CC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1cc(Cl)ccc1O)N2 80324804 QVFPNYACZPQHSA-IBGZPJMESA-N 413.905 3.614 10 40 HHCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccc(C(=O)O)cc1 98086465 CRXNIOPTPTUGFH-LICLKQGHSA-N 415.492 3.803 10 40 HHCB CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc1 107892737 CGWKOTRYDSCXNK-RQZCQDPDSA-N 417.437 3.706 10 40 HHCB CCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 408868783 ORUDQKONULIOEB-KAMYIIQDSA-N 402.809 3.934 10 40 HHCB CCOc1cccc(/C=C2\C(=O)N(c3cccc(C(C)=O)c3)C(C)=C2C(=O)OC)c1O 409380771 AJDWYFJHFRZHLE-UYRXBGFRSA-N 421.449 3.871 10 40 HHCB O=c1ccc2ccc(O)c(CN3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@H]56)[C@@H]43)c2o1 526052540 MJNBWCXFQYNSNU-YWQGAKJTSA-N 406.526 3.894 10 40 HHCB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(OC)c(OC)c3OC)S2)cc1 5127303 UALYDCLXMQOGKZ-LFIBNONCSA-N 400.456 3.803 10 40 HHCB Cc1cc(CN(CCN2CCOCC2)Cc2cccnc2)c(C)n1-c1ccccc1F 19567579 HLQXNYIDDJPBLU-UHFFFAOYSA-N 422.548 3.963 10 40 HHCB CCN1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccc(OC)cc4)c(C)oc23)CC1 20589172 PERLXHIBXAQANZ-UHFFFAOYSA-N 424.497 3.745 10 40 HHCB biogenic COc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1OC 23858554 SZPKLTODUJTUJH-QFIPXVFZSA-N 423.557 3.653 10 40 HHCB CC(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)NC[C@@H]3CCCO3)C2=O)cc1 27020199 HIBPZBRRHPBUKL-KMTKGMGQSA-N 418.584 3.697 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc12 409139939 GODRXLHXTQVQEZ-XSFVSMFZSA-N 400.434 3.901 10 40 HHCB COc1ccc(N2CCN(C(=O)CCc3c(C)nn(-c4ccccc4)c3C)CC2)cc1 7284198 YOJPNDKIYPWYQE-UHFFFAOYSA-N 418.541 3.779 10 40 HHCB O=C(NN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S)c1cccc(Cl)c1 8666101 GPJJDLAEOMLTON-ZROIWOOFSA-N 414.899 3.763 10 40 HHCB aggregator COc1ccc(CCC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 13007692 MQPGIRXFUHVTMO-RUZDIDTESA-N 421.585 3.964 10 40 HHCB Cc1nc2cc(C(=O)NCc3cc([N+](=O)[O-])ccc3O)ccc2n1-c1ccccc1 35447188 SXJQWLFOVHVWNL-UHFFFAOYSA-N 402.410 3.878 10 40 HHCB Cc1c(/C=C2/NC(=O)N(CC(=O)O)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 408588050 BDIKPBCODSRMKE-VCHYOVAHSA-N 423.856 3.629 10 40 HHCB Cc1cc(C)cc(COc2ccc3ccccc3c2C=C2C(=O)NC(=O)NC2=O)c1 408892178 BQFYFEACSLFLGO-UHFFFAOYSA-N 400.434 3.785 10 40 HHCB Cc1ccc(OCCn2cccc2/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc1 8738514 MBFWLLMQLRTWSM-XSFVSMFZSA-N 419.437 3.971 10 40 HHCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([C@H](C)CC)cc3)C2=O)ccc1O 13689247 HHBWYUJXLBEUPU-IIMQCXAKSA-N 408.454 3.971 10 40 HHCB CCCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CC[C@@H](C)C2 101713755 IVFLOMBMZSYNAC-BCBCSNLJSA-N 417.527 3.901 10 40 HHCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(N2CCCCC2)cc1 4620689 QYOAQOMFRLRVLZ-VKAVYKQESA-N 409.486 3.647 10 40 HHCB CC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1 7379283 KGQAJADVCPJHQE-UHFFFAOYSA-N 405.454 3.848 10 40 HHCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(Br)o1 8964448 ZVIABAGIQLLARJ-NTCAYCPXSA-N 418.316 3.835 10 40 HHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(N(CC)CC)cc3)C2=O)cc1 13718518 YRBNOMARKSIGQD-HKWRFOASSA-N 422.485 3.510 10 40 HHCB Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(CN2CCOCC2)cc1)CO3 20548298 SGFYMQJNHJYCHE-UHFFFAOYSA-N 406.482 3.599 10 40 HHCB CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1 22665575 HHKZIPSQVQBOBO-HSZRJFAPSA-N 412.553 3.671 10 40 HHCB O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1CCCN1CCOCC1 96930811 GGADGVRTWGJSIF-NTCAYCPXSA-N 416.490 3.629 10 40 HHCB CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 1166818 IKMWTJGTIQSSES-YVLHZVERSA-N 402.447 3.833 10 40 HHCB CCN(CC)CCCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 2376532 WQEXBERDUFICNX-LGMDPLHJSA-N 424.588 3.646 10 40 HHCB COc1cccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)c1OC 22418432 HYQOSCGUNOJNFV-FQEVSTJZSA-N 412.534 3.728 10 40 HHCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)C1=O 409100246 VRBKHQYRVAGPMR-LKBVRNOZSA-N 415.423 3.551 10 40 HHCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\C=C\c1ccccc1 19814095 KAXGSYSNMANGGZ-QSJINSDNSA-N 413.296 3.837 10 40 HHCB O=C1/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1c1ccccc1 51330794 OPAAJQHJMUCGLS-IUXPMGMMSA-N 408.460 3.663 10 40 HHCB CCOc1cc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(C)=C2C(=O)OC)ccc1O 408892188 HALDMPBIWOPAPE-PDGQHHTCSA-N 409.438 3.677 10 40 HHCB COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc(Cl)c1OC 4628687 PTKDJNZBNYDOCK-OVCLIPMQSA-N 400.818 3.862 10 40 HHCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC)cc3)C2=O)cc1 408898332 LFIDPJUCSTUURX-HKWRFOASSA-N 408.454 3.931 10 40 HHCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(OC)ccc1OC 408988453 QXEBYOLWPQEWRO-MOSHPQCFSA-N 407.466 3.885 10 40 HHCB O[C@]1(c2ccc(Br)cc2)CN2CCCSC2=[N+]1Cc1ccccc1 4176392 UDEVLSIWPAIGBA-IBGZPJMESA-N 404.353 3.615 10 40 HHCB CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 7106354 LQURSJGWMMSABS-UHFFFAOYSA-N 419.525 3.987 10 40 HHCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc3ncccc3c2)SC1=S 8993360 QVVJPHMEWMDWLW-MFYHJKBNSA-N 404.538 3.642 10 40 HHCB Cc1cc(/C=C2/C(=O)N=C(O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1O 13814577 UKHFUHMSEFLQFF-PDGQHHTCSA-N 419.412 3.810 10 40 HHCB N=C1/C(=C/c2ccc(Br)o2)C(=O)N=C2SC(Cc3cccs3)=NN12 33309100 ZLHQTXHDPDPBDL-GDWDSQERSA-N 421.301 3.965 10 40 HHCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 59959383 GYXXGPLKZQIUJB-WQRHYEAKSA-N 422.437 3.785 10 40 HHCB O=C(/C=C/c1ccc(Br)cc1)NCc1ccc(N2CCOCC2)cc1 56198996 FRPXOPXGTLZOMS-BJMVGYQFSA-N 401.304 3.615 10 40 HHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)c1 408960597 NCOZTYMIVUGCFL-KGENOOAVSA-N 403.482 3.878 10 40 HHCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 409034089 GOFDBQJAGNRTIG-XBXARRHUSA-N 413.258 3.802 10 40 HHCB COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)C(=O)NC1=S 409165893 ABHHLAWZPLBVCI-FOWTUZBSSA-N 422.437 3.926 10 40 HHCB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)OC[C@H]1CC1(Cl)Cl)c2[N+](=O)[O-] 12895227 SVWIGLSEIARTOF-SECBINFHSA-N 420.204 3.721 10 40 HHCB COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N(C)C 13008168 DYIZXVPKUQKHSF-HXUWFJFHSA-N 401.938 3.764 10 40 HHCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OC(C)C)C2=O)cc1 408809119 JZPIWTUCSMZJER-XDHOZWIPSA-N 408.454 3.711 10 40 HHCB CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@H]1c1ccc(N(C)C)cc1 1097698 DIKKTSHMADGVDR-NRFANRHFSA-N 421.522 3.713 10 40 HHCB Cc1cc(/C=C2\C(=O)N=C(O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(F)cc1 1830301 DFBUQCAWVZDUGC-YBFXNURJSA-N 407.401 3.693 10 40 HHCB COc1cc(/C=C2\SC(=S)N([C@@H](CC(=O)O)c3ccccc3)C2=O)ccc1O 5214087 RIRGBKAZVBXSCD-XGHPXPSOSA-N 415.492 3.818 10 40 HHCB COc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 408895201 CXNOTNMONYCZGD-NTUHNPAUSA-N 421.236 3.677 10 40 HHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(Cl)c3)C2=O)cc1 408896649 GWLIDCDODPQUKV-GDNBJRDFSA-N 400.818 3.501 10 40 HHCB CCOc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O 409234827 MWCDZBYWRNVGCK-XNTDXEJSSA-N 400.887 3.878 10 40 HHCB O=S(=O)(c1ccc([C@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)cc1)N1CCOCC1 979100 MUYWCFYXDHYKRC-CNNODRBYSA-N 414.502 3.673 10 40 HHCB CCOc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)OC)cc3)C(C)=C2C(=O)OC)cc1 6355114 ZVCKOUJSDMUUCL-ZHZULCJRSA-N 421.449 3.749 10 40 HHCB CN1CCN(c2ccc(CNC(=S)Nc3cccc(Br)c3)cc2)CC1 225775810 RACMAWCNEUVYNJ-UHFFFAOYSA-N 419.392 3.688 10 40 HHCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cccc(Br)c1 408870888 UZFFMXKBNOLEQN-FMIVXFBMSA-N 405.635 3.769 10 40 HHCB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(N(C)C)cc1 1251675 ZBBMHCONVICGAI-FQEVSTJZSA-N 410.543 3.583 10 40 HHCB CCN(CC)c1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 2221379 IMYLVOGPZOVIEX-RGEXLXHISA-N 408.527 3.585 10 40 HHCB CC[C@H](C)N1C(=O)/C(=C/c2c(NCC(C)C)nc3ccccn3c2=O)SC1=S 5065995 FMSRQOQKPJSPAG-OJNRTJSBSA-N 416.572 3.762 10 40 HHCB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\C(=O)N(c2ccc(C)c(C)c2)C(=O)N=C1O 8770099 OPGWHUKWAMGKGS-IZILLXMLSA-N 416.437 3.692 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 9348261 KTLFPJFQSWYVNN-PDGQHHTCSA-N 417.377 3.830 10 40 HHCB CCCN1C(=O)/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)SC1=S 9833776 YDRWJXZQAWPMQX-DHDCSXOGSA-N 417.464 3.954 10 40 HHCB Cc1cccc(C2(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CCOCC2)c1 19662290 YQAAVLIZEGKJKB-FQEVSTJZSA-N 408.542 3.757 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccccc1OC(F)(F)F 26534164 QHXLGIOAXHYQPN-UHFFFAOYSA-N 423.435 3.763 10 40 HHCB COC(=O)c1ccc(/C=C2/SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1 27530309 IQLDXHIYBUYUCM-GZTJUZNOSA-N 412.492 3.837 10 40 HHCB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 59435686 XKDQXDAOVDEHBP-AQTBWJFISA-N 422.437 3.519 10 40 HHCB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 5373881 JOEKMCMKTOQUPK-TUDSDUBJSA-N 404.307 3.743 10 40 HHCB CCCCN1C(=O)/C(=C/C=C2/Sc3cc(OC)ccc3N2CCO)SC1=S 33922113 SHOUXQGTUZNVLW-CZLYJICFSA-N 422.597 3.985 10 40 HHCB CC(=O)Nc1ccc(N/C=C2/C(=O)N(c3ccc(C)cc3C)N=C2C)c([N+](=O)[O-])c1 100507477 IJCRHGQDHWZYTJ-GZTJUZNOSA-N 407.430 3.889 10 40 HHCB COc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O 409100171 VFWCLYQYUCTIOS-WOJGMQOQSA-N 418.515 3.673 10 40 HHCB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 409245157 OFCGHLFZNVPEJI-RGVLZGJSSA-N 415.449 3.916 10 40 HHCB O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1N1C(=O)c2ccccc2C1=O 1404708 NRGQXSOXVYZITN-ZROIWOOFSA-N 400.868 3.752 10 40 HHCB O=C1c2ccccc2C(=O)c2c1oc1c3c(ccc21)OCN(CCCn1ccnc1)C3 4136100 QKNGEYBBNOEDDV-UHFFFAOYSA-N 413.433 3.647 10 40 HHCB CC(=O)n1cc(/C=C2\C(=O)N=C(O)N(c3cc(C)ccc3C)C2=O)c2ccccc21 8737965 FMSDLMXCSFNXAP-WOJGMQOQSA-N 401.422 3.789 10 40 HHCB CCOc1cc(/C=C2\SC(=S)N(CCc3ccc(O)cc3)C2=O)ccc1O 54360742 ZYOJXRIOUJPYDL-PDGQHHTCSA-N 401.509 3.940 10 40 HHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/NC1=CC=C[C@H]2C(=O)c3ccccc3C(=O)[C@H]12 101125470 IRGZZJWBKWVKPF-MWBOZUNASA-N 423.472 3.956 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(C)C 408803494 PRQKBVKDZZLPLZ-LDADJPATSA-N 408.454 3.847 10 40 HHCB COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1OCC(=O)O 409342742 FFQNAGWKGLWDHE-YBEGLDIGSA-N 415.492 3.560 10 40 HHCB CCn1cc(/C=C2\C(=O)N=C(O)N(c3cc(OC)ccc3OC)C2=O)c2ccccc21 2394297 AVJVCRUPIQCZHH-GZTJUZNOSA-N 419.437 3.549 10 40 HHCB COc1ccc(OC)c(N2C[C@](O)(c3ccc(Cl)cc3)[N+]3=C2SCCC3)c1 2965878 RXQDWQYKBHPFOA-FQEVSTJZSA-N 405.927 3.528 10 40 HHCB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)cc1 5023664 OJZOFWQRAOCNBS-PTNGSMBKSA-N 409.492 3.626 10 40 HHCB O=C(COC(=O)c1cccc(Cl)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 13147579 QEEUGLUWZSLAQO-UHFFFAOYSA-N 419.820 3.911 10 40 HHCB CN(C)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 33246821 CLNVQZGLCORUSQ-LFIBNONCSA-N 417.943 3.952 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)o3)C(=O)NC2=S)cc1Cl 409247746 NOTHCBYFHMLICD-RVDMUPIBSA-N 415.902 3.673 10 40 HHCB COCCOC(=O)[C@@H](C)N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S 1783263 XBZRKSCQYOSCKH-KAECEXQPSA-N 401.509 3.619 10 40 HHCB Cc1cc(N(CCO)CCO)ccc1/N=N/c1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 104260790 KMLVKWGMGPTYLS-FMQUCBEESA-N 423.813 3.671 10 40 HHCB O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)NCCc1c[nH]c2ccccc12 33536772 DETRZEUMHDYJHC-XDHOZWIPSA-N 421.547 3.728 10 40 HHCB COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OC 225838126 QDJVXPBBENZFLN-OAHLLOKOSA-N 401.532 3.588 10 40 HHCB CC(C)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1Cl 408868874 PPWRMIPSDQCONU-LCYFTJDESA-N 402.809 3.933 10 40 HHCB CCOc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1O 13896461 NPDRZWBEZOVSKR-HUHIGAQKSA-N 406.467 3.767 10 40 HHCB COc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc1 17029319 YUGWOKCYIFDQEW-GDNBJRDFSA-N 401.216 3.964 10 40 HHCB COc1cccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c1OC 1302695 OYWRMRKBZMSJHW-XNTDXEJSSA-N 401.465 3.808 10 40 HHCB CCCCCOC(=O)CN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 5370718 LXPVUHXWZPDMLK-WJDWOHSUSA-N 409.529 3.638 10 40 HHCB CN(C)c1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)o1 59198186 GYKFYYFFEVJMAK-UKTHLTGXSA-N 404.220 3.615 10 40 HHCB CCCn1cc(/C=C2\C(=O)N=C(O)N(CCc3ccccc3)C2=O)c2ccccc21 2387740 YFOJUOWYNAQMFT-HMMYKYKNSA-N 401.466 3.960 10 40 HHCB O=c1c2ccccc2nc(/C=C/c2ccc(O)c(O)c2)n1-c1ccc([N+](=O)[O-])cc1 4425930 UZXASLBIBKIDPW-WUXMJOGZSA-N 401.378 3.876 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/NN3CCCC[C@@H]3c3cccnc3)C(O)=NC2=S)cc1 38176683 LYPRZQFFNFKLBW-YWXUCKCNSA-N 421.526 3.594 10 40 HHCB CCOC(=O)c1ccc(NC(=S)NCCN(C)c2ccc(OC)cc2)cc1Cl 225798976 HKIBQVINMWYLCM-UHFFFAOYSA-N 421.950 3.948 10 40 HHCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 408894355 QCJJHYSJXISPCL-ATVHPVEESA-N 408.410 3.871 10 40 HHCB CCOc1cc(/C=C2/SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)ccc1O 1243087 FESYXZABNCGZDN-ABPVARSCSA-N 415.492 3.818 10 40 HHCB COc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccco3)SC2=S)cc1 1268763 MVDHNWMWXDFMQI-VBKFSLOCSA-N 402.497 3.908 10 40 HHCB COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 12631847 UMAYFXITSVITQA-HNNXBMFYSA-N 423.435 3.743 10 40 HHCB CN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc1 27530369 RGQMJIUVVRZKCN-CXUHLZMHSA-N 400.481 3.562 10 40 HHCB COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)[C@H]1CCCO1 36359725 LEIZQPIZWYBTSU-OAQYLSRUSA-N 406.486 3.573 10 40 HHCB NS(=O)(=O)c1ccc(/N=N/C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 100725257 WHKYELIWFQHMFL-WCWDXBQESA-N 407.451 3.552 10 40 HHCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1C(=O)O 222742186 VWUDCVPGEHQRIB-VQTJNVASSA-N 406.511 3.790 10 40 HHCB CCOC(=O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1 408969330 LXZGTNLEMIAPJD-ATVHPVEESA-N 418.371 3.977 10 40 HHCB COC(=O)c1cccc(COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1 6428452 XTEDYFDJQXJENP-UHFFFAOYSA-N 400.386 3.606 10 40 HHCB COc1ccc(N2CCN(c3nc(C)c(Cc4ccc(Cl)cc4)c(=O)[nH]3)CC2)cc1 9305557 KXAXCXABUCZMOL-UHFFFAOYSA-N 424.932 3.658 10 40 HHCB COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(-c2ccc(C)cc2)no1 95465453 PSTUIWXATBIWFT-UHFFFAOYSA-N 414.845 3.824 10 40 HHCB CC(=O)c1cccc(N2C(=O)/C(=C3/C(=O)N(C(C)=O)c4ccccc43)SC2=S)c1 2702159 JEVWEOLZCPXLEA-ZCXUNETKSA-N 422.487 3.558 10 40 HHCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/Nc1ccc(Cl)c(Cl)c1 4489084 ANAYICVKHQSWEE-CSKARUKUSA-N 410.257 3.876 10 40 HHCB O=C1/C(=C/c2ccc(O)c(Br)c2)C(O)=NC(=S)N1c1ccccc1F 59135794 SXZYVIAKMALESO-JXMROGBWSA-N 421.247 3.965 10 40 HHCB Cc1cc(O[C@@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc(C)c1Cl 216946430 FEYJOVOXPNJEKF-SFHVURJKSA-N 415.965 3.792 10 40 HHCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cccc4ccccc34)C2=O)cc1 408869399 CUXRCIPOKLZUPY-XSFVSMFZSA-N 414.417 3.683 10 40 HHCB Cc1ccc(COc2c(Cl)cc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 409056983 OBILNQWSFQHHAS-UHFFFAOYSA-N 405.237 3.630 10 40 HHCB Cn1cccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2Cl)C1=O 2407837 OHOZADWVTFRNDC-MDWZMJQESA-N 412.323 3.878 10 40 HHCB COc1ccc(OC)c(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)c1 9190107 MHWOXSLUDUNUFW-AQTBWJFISA-N 401.509 3.984 10 40 HHCB CC(C)=C[C@@H]1[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)C1(C)C 27662891 LFUJDIBEYVPDBD-PWRODBHTSA-N 418.603 3.507 10 40 HHCB COc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)C(=O)N=C2O)cc1Cl 33313296 FNYRCDCUUMTGQD-JYRVWZFOSA-N 400.774 3.554 10 40 HHCB CN(Cc1ccccc1O)C(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 42116915 LYNNCQYTVIKJNQ-MRXNPFEDSA-N 410.417 3.873 10 40 HHCB CC(=O)Nc1ccc(N2C(=O)/C(=C/c3cnc4ccccc4n3)SC2=S)cc1 54361194 ATSMTYFRABOSSQ-ZDLGFXPLSA-N 406.492 3.994 10 40 HHCB CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3cccc(OC)c3)c2C)C1=O 981610 ZKLGUTFXKPKTQT-ZDLGFXPLSA-N 414.483 3.702 10 40 HHCB COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)cc3)C(=O)NC2=S)cc1 4738881 AWRQXBOSAOIJJF-XSFVSMFZSA-N 417.490 3.626 10 40 HHCB CN(C)CCSc1cccc2c1C(=O)c1cccc(SCCN(C)C)c1C2=O 5493425 JNLZNGGLXBIQHT-UHFFFAOYSA-N 414.596 3.769 10 40 HHCB CCOc1cccc(N2C(=O)/C(=C\c3ccc(OCC(C)C)cc3)C(=O)NC2=S)c1 6573626 JDXHIHZSQYWTJI-NDENLUEZSA-N 424.522 3.951 10 40 HHCB CN(C)c1ccc([C@H](CNC(=O)C(C)(C)C)N2CCN(c3ccccc3)CC2)cc1 22665401 DYZKBGMPLKLOER-QHCPKHFHSA-N 408.590 3.778 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC 408775308 GKAMGCNOIXKMDV-LFIBNONCSA-N 414.845 3.804 10 40 HHCB CN1CCc2cc([C@@H](CNC(=O)c3ccc(Br)o3)N3CCCC3)ccc21 8963323 DWXJMHNUOUQJLP-QGZVFWFLSA-N 418.335 3.601 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1cccc(Br)c1 33777243 BRBCAKKGIFOKJC-AQTBWJFISA-N 408.255 3.701 10 40 HHCB COc1ccc(N2CCN(C(=O)[C@@H](C)Sc3ccc(OC)c(OC)c3)CC2)cc1 44901575 SXEOIBRQBKXAJO-MRXNPFEDSA-N 416.543 3.542 10 40 HHCB CCOc1ccc(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2CC(=O)OC)cc1 112288028 NXNWBMCSIRTKPA-STZFKDTASA-N 411.433 3.876 10 40 HHCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)c(OC)c3)N21 222691601 UEKXNKADAFILLU-BULFRSBZSA-N 424.570 3.906 10 40 HHCB O=C(Cc1csc2[n+]1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)S2)Nc1ccccc1 1637125 OBPWJOUYMXHKPC-YVLHZVERSA-O 424.483 3.912 10 40 HHCB Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\c3cccs3)C2=O)c1C 6184283 LYUWRRSGCAQKJF-XYOKQWHBSA-N 405.273 3.794 10 40 HHCB COc1ccc(N2CCN([C@H](CNC(=O)c3cccc(C)c3)c3ccco3)CC2)cc1 56946269 NDPAAYQENQGMBT-HSZRJFAPSA-N 419.525 3.890 10 40 HHCB C[Si](C)(C[C@H](N=[N+]=[N-])C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)c1ccccc1 195753933 BKXGUIQUFVQSIQ-MJGOQNOKSA-N 408.534 3.871 10 40 HHCB COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225755695 WPOCOBYMWIEUBW-KRWDZBQOSA-N 416.543 3.749 10 40 HHCB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2ccccc2)C1=O 409242220 VRLDTVJTTFIRFO-MOSHPQCFSA-N 410.495 3.768 10 40 HHCB O=S(=O)(c1ccc([C@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)cc1)N1CCOCC1 5017632 MUYWCFYXDHYKRC-NNMXDRDESA-N 414.502 3.673 10 40 HHCB COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)ccc1O 26608261 HTGLBBROXDOAMY-KREXOYDUSA-N 412.858 3.722 10 40 HHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(N(CC)CC)cc2)C1=O 100799095 MYOZOPXTSIPVMP-OBGWFSINSA-N 422.485 3.510 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCCCOc1ccccc1 6194176 YWTDYTPMDQNKAV-PYCFMQQDSA-N 414.461 3.996 10 40 HHCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccccc1F 41078329 DCVLMKLQAYERLL-YCCRBMFLSA-N 407.401 3.864 10 40 HHCB CCOc1cccc(N2C(=O)/C(=C\c3ccc(OC(C)C)cc3)C(=O)NC2=S)c1 5654387 IBLMGUCEHDCLFB-UNOMPAQXSA-N 410.495 3.704 10 40 HHCB COc1ccc(N2CCOCC2)c(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 7496732 PTOUXWVNKUCYCM-UHFFFAOYSA-N 404.894 3.820 10 40 HHCB CCCCc1nnc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)s1 8820272 CRRDVGPKCDDRQX-ZRDIBKRKSA-N 422.557 3.704 10 40 HHCB CCOc1cc2c(cc1/C=C1\C(=O)N(c3ccc(F)cc3)C(=S)N=C1O)OCO2 16689299 LCEVBZNHGUQWGR-AUWJEWJLSA-N 414.414 3.625 10 40 HHCB Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 408961331 RPVWDGNORPMLHP-XSFVSMFZSA-N 403.482 3.878 10 40 HHCB CN1C(=O)C(=Cc2cc(Br)c(Sc3ccccc3)o2)C(=O)N(C)C1=O 409000045 WTPMNMKBBQFIJC-UHFFFAOYSA-N 421.272 3.627 10 40 HHCB COc1ccc(/C=C2/SC(=S)N(C(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 5513412 PKIYAFFKRSNVDA-OQLLNIDSSA-N 400.437 3.645 10 40 HHCB Cc1cc(C(=O)Cn2cnc3sccc3c2=O)c(C)n1-c1ccc2c(c1)OCCO2 9871996 HYXBRLUAVZCYAE-UHFFFAOYSA-N 421.478 3.520 10 40 HHCB Cc1cc(C)cc(N2C(=O)/C(=C\c3cc(Br)cs3)C(=O)NC2=S)c1 9908224 URFMZXWGESLYRZ-AUWJEWJLSA-N 421.341 3.959 10 40 HHCB COc1ccc(N2CCN(C(=O)c3ccc(Cn4nc(C)cc4C)cc3)CC2)cc1 109477071 KWHQTXRROOCACZ-UHFFFAOYSA-N 404.514 3.519 10 40 HHCB COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)c1 222764958 VLAMTZVXDBSRJJ-LEWJYISDSA-N 420.538 3.878 10 40 HHCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCN(C(C)=O)C[C@@H]1c1ccccc1 257218562 DDONOHDHEWOBIE-HSZRJFAPSA-N 421.541 3.731 10 40 HHCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCOCC4)cc3OC)N21 260778151 REWSSYDPRMTTMP-HVETUWLQSA-N 424.570 3.906 10 40 HHCB CC(=O)n1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 830910 KMZGGCINSSLVJW-YVLHZVERSA-N 407.813 3.621 10 40 HHCB biogenic COC(=O)c1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 5371712 UINGJCZDTNGWDY-AQTBWJFISA-N 413.520 3.926 10 40 HHCB CCc1ccccc1N1C(=O)/C(=C\c2ccc(OC)c(Cl)c2)C(=O)NC1=S 6574304 LDKKWOYFTNNKKR-UVTDQMKNSA-N 400.887 3.742 10 40 HHCB Cc1cccc(C)c1N1CCN(C2=NC(=O)/C(=C\c3ccc4c(c3)OCO4)S2)CC1 6898358 OKSNXQQSGDFPFX-DEDYPNTBSA-N 421.522 3.825 10 40 HHCB COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)O 13658848 CUTVSVKPVSKODQ-YBEGLDIGSA-N 401.465 3.564 10 40 HHCB CCCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCC2 102205558 PLOPPQXIMUZDQH-RKLWJJNISA-N 403.500 3.655 10 40 HHCB CC[C@H](C)Oc1c(Cl)cc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)cc1OC 108131948 FCRUPUFFJJVBRH-LBPRGKRZSA-N 424.950 3.905 10 40 HHCB CCN(CC)c1ccc(CN2CCc3c(O)nc(N4CCCC[C@H]4C)nc3C2)cc1 257306579 SUXGPRCLSAIDJA-GOSISDBHSA-N 409.578 3.966 10 40 HHCB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 5552874 IGOFSTFLZZOIPE-MHWRWJLKSA-N 413.480 3.987 10 40 HHCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)c1 6614292 RAKKVAKZBYWJAA-QNGOZBTKSA-N 418.497 3.517 10 40 HHCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1O 13549095 HCBHLIHISQRHJF-ZROIWOOFSA-N 417.219 3.781 10 40 HHCB COc1cc(CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc(OC)c1OC 15634267 XVJZAVJZJHXZDF-UHFFFAOYSA-N 412.530 3.904 10 40 HHCB Cc1cc(Br)c(O)c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 95365177 QRNQSMUQFAFVDH-UHFFFAOYSA-N 421.360 3.946 10 40 HHCB CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CC[C@@H](C)C2 102332560 CJMKMKWRGVGPJV-HVCLXXKLSA-N 417.527 3.900 10 40 HHCB CCOC(=O)c1c(NC(=O)[C@]23CC[C@](C)(C(=O)C2=O)C3(C)C)sc2c1CCCC2 1836016 HBRHOWIYIMLVAF-YADHBBJMSA-N 417.527 3.707 10 40 HHCB COc1ccc(N2CCN(C(=O)CN[C@@H](C)c3cccc(C(F)(F)F)c3)CC2)cc1 12553650 OKYYWPSKHJQUFR-INIZCTEOSA-N 421.463 3.713 10 40 HHCB CC(C)C1=NN2C(=N)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)N=C2S1 19995262 APXNRFIMXZBAAX-AJUKGGFZSA-N 408.439 3.920 10 40 HHCB Cc1cc(O)c(O)c(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 40149258 MGWWCWONHHBHOC-UHFFFAOYSA-N 401.816 3.796 10 40 HHCB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC 408857340 LZXFWMKKPIQKEP-RIYZIHGNSA-N 418.808 3.553 10 40 HHCB CC(C)Oc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 408872827 JKVSTSKWQWAWIP-UVTDQMKNSA-N 402.809 3.933 10 40 HHCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc(O)cc1 4176456 SVKJOONZZVJSDN-WJDWOHSUSA-N 402.472 3.761 10 40 HHCB COc1ccc(OC)c(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)C(=O)N=C2O)c1 8837194 OSDMEWYRXMXCNK-XFXZXTDPSA-N 421.236 3.881 10 40 HHCB CCc1nnc(NC(=O)CCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)s1 9444736 JATUPGCHDDJPFY-JLHYYAGUSA-N 418.569 3.639 10 40 HHCB COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 59418000 RJWXJTGKYCMGBS-YBEGLDIGSA-N 403.481 3.824 10 40 HHCB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)n1-c1ccccc1 223290026 WKYLZSUSKSBXBC-FCHUYYIVSA-N 405.571 3.715 10 40 HHCB COc1ccccc1OCCOc1cccc(/C=C2\SC(=S)N(C)C2=O)c1 2966128 PRPKXIAFCQCYPT-AQTBWJFISA-N 401.509 3.984 10 40 HHCB NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 4982760 YNCXHXYZTLIZTO-RLFYNMQTSA-N 405.317 3.923 10 40 HHCB in-vitro CC(C)(C)N1C(=O)NC(=O)/C(=C/NCCC(c2ccccc2)c2ccccc2)C1=O 5833645 HYLFGFBSVUBUKQ-SILNSSARSA-N 405.498 3.559 10 40 HHCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 6418018 LCUMLJSQONOUBY-QGOAFFKASA-N 412.877 3.765 10 40 HHCB CCc1ccc(N2C(=O)N=C(O)/C(=C\NN3CCCC[C@H]3c3cccnc3)C2=O)cc1 8974603 AUCGSNXLMGGLTP-ZAQQZEBGSA-N 419.485 3.683 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)c(OC)c1 9188347 MALPKCSJNVPTJX-PDGQHHTCSA-N 401.509 3.984 10 40 HHCB COc1ccc(N(C)CCNC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 225799191 FPWARAMWKXETOE-UHFFFAOYSA-N 412.559 3.553 10 40 HHCB COc1ccc(N2C(=O)/C(=C\c3ccc4c5c(cccc35)CC4)C(=O)NC2=S)cc1 408752660 JCKRDEUTDLKEIB-MOSHPQCFSA-N 414.486 3.778 10 40 HHCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)cc1C 409393063 OUEYEXBAWMUASP-FYJGNVAPSA-N 414.465 3.772 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/c3cc(Br)cs3)C(=O)NC2=S)c(C)c1 664641 LTHAYWHNTOVDFB-NTUHNPAUSA-N 421.341 3.959 10 40 HHCB COc1ccc(N2CCN([C@@H](CNC(=O)c3cccs3)c3ccco3)CC2)cc1 56946151 FDHYBLPSSBIYKO-IBGZPJMESA-N 411.527 3.643 10 40 HHCB CCN(CC)c1cc2[nH]c(O)nc2cc1N/C=C1\C(=O)N(c2ccccc2)N=C1C 408535610 UATGJUIIEVRENF-SSZFMOIBSA-N 404.474 3.833 10 40 HHCB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=S)N(c2ccccc2)C1=O 409222213 WBCFGIMFGUJYCA-UYRXBGFRSA-N 412.536 3.938 10 40 HHCB O=C1N=C(O)/C(=C/c2ccn(-c3cccc([N+](=O)[O-])c3)c2)C(=O)N1c1ccccc1 8741334 JRYUFKMHZJLZOA-WQRHYEAKSA-N 402.366 3.892 10 40 HHCB CN1CCCc2cc([C@@H](CNC(=O)Nc3ccc4c(c3)OCO4)N3CCCC3)ccc21 35597171 GJKNYCMDYHEMMP-OAQYLSRUSA-N 422.529 3.756 10 40 HHCB COc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCOCC1 222608461 BIESKFCOZOJWPW-JHVJFLLYSA-N 410.543 3.516 10 40 HHCB COc1ccc(NC2(NC(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)cc1 226297781 YICZJFQORXEKFX-UHFFFAOYSA-N 420.852 3.966 10 40 HHCB CN1C(=O)C(=Cc2cn(Cc3cccc(Cl)c3)c3ccccc23)C(=O)N(C)C1=O 4550998 SOCMKWKJWOXNRG-UHFFFAOYSA-N 407.857 3.777 10 40 HHCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2ccc(C(N)=O)cc2)o1 12412869 PVBUHOUQRIJFQH-XDHOZWIPSA-N 415.405 3.550 10 40 HHCB COc1ccc(N2CCN(C(=O)c3ccc(COc4ccccc4OC)o3)CC2)cc1 27980299 SWSHRQQBNXHWDE-UHFFFAOYSA-N 422.481 3.838 10 40 HHCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NCC(C)C)cc1 112287435 MEMRWEBRSIFBRJ-HKWRFOASSA-N 408.458 3.874 10 40 HHCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(C)c(C)c1 112289619 KXSNRMXHNBHNHY-QNGOZBTKSA-N 422.441 3.863 10 40 HHCB CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)NC(=O)N=C2O)cc1 1467587 FDILMQCETMKSDQ-UHFFFAOYSA-N 416.437 3.916 10 40 HHCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)NC3CCCCC3)C2=O)cc1 4159120 TXNHTXSQKDZVNZ-ATVHPVEESA-N 404.557 3.735 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Cl)c1OC 9311086 QYWYRJPAXARVNH-UKTHLTGXSA-N 421.236 3.677 10 40 HHCB COC(=O)c1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 35040268 UINGJCZDTNGWDY-QGOAFFKASA-N 413.520 3.926 10 40 HHCB CCN(CC)c1ccc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)cc1 39427808 ONPCHUGOHKMRSG-QFIPXVFZSA-N 416.529 3.730 10 40 HHCB COCCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(C(=O)OC)=C1C 408783299 MHCGCODRRPKVTO-QNGOZBTKSA-N 408.498 3.803 10 40 HHCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)C(C(=O)OC)=C2C)cc1 2285090 QRJOXOSBEYLJTO-UYRXBGFRSA-N 407.422 3.661 10 40 HHCB Cc1cc(C(=O)COC(=O)c2cnccn2)c(C)n1-c1ccc(Br)cc1 3537770 DGHCTGFRPBCACX-UHFFFAOYSA-N 414.259 3.686 10 40 HHCB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N2CCC(Cl)=N2)cc1 16398894 DIPOQRMJQHHHPP-YBEGLDIGSA-N 401.253 3.564 10 40 HHCB COc1cccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1OC 23858552 SZPKLTODUJTUJH-JOCHJYFZSA-N 423.557 3.653 10 40 HHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(O)cc1 223618096 YFGWCIMWUMJGIC-FGZHOGPDSA-N 422.554 3.550 10 40 HHCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC 408801358 AEPSIYCTIJRUOB-XNTDXEJSSA-N 414.845 3.804 10 40 HHCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3OC(C)C)C2=O)c1 409018772 ZEDZRUPPZUTEED-LDADJPATSA-N 424.453 3.548 10 40 HHCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccccc12 4741356 XIDZLKKBIHHYBT-KQWNVCNZSA-N 416.481 3.540 10 40 HHCB CN1CCC/C1=C1/C(=O)N(c2ccccc2)N=C1NC(=O)Nc1cccc(Cl)c1 6497718 KJUCZCTVLSFYIV-ZCXUNETKSA-N 409.877 3.802 10 40 HHCB CC[C@H](C)Oc1ccc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc1 409015235 ZAISGVVHSPORGI-TYYMKKSVSA-N 422.481 3.889 10 40 HHCB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3)C2=O)CC1 409346903 MWICHNLWVZIRRX-XMHGGMMESA-N 413.543 3.582 10 40 HHCB Cc1cc(C(=O)COC(=O)CCn2c(=O)oc3ccccc32)c(C)n1-c1ccccc1 7226804 WKEHNTQFZZNJFC-UHFFFAOYSA-N 418.449 3.818 10 40 HHCB CCCNC(=O)[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 40050256 FSXAAPDFDOLIBN-CYBMUJFWSA-N 406.324 3.501 10 40 HHCB COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc1O 85875558 KKLSBJAMYOTHHJ-UHFFFAOYSA-N 421.409 3.997 10 40 HHCB biogenic CCCCOC(=O)c1ccc(-n2c(C)cc([C@@H]3NC[C@@H](C(=O)O)S3)c2C)cc1 408978081 KMTWRAGICSCSJW-RBUKOAKNSA-N 402.516 3.839 10 40 HHCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2F)C1=O 6043982 ZZRJYGWRXWSIHZ-RVDMUPIBSA-N 411.408 3.540 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1NC(=O)c1ccco1 10907052 MQTKNFVTOQDABA-UHFFFAOYSA-N 419.481 3.641 10 40 HHCB O=C(Oc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1)c1ccco1 27015622 GYDUQUFTPYHJHX-ZCQLHAAUSA-N 415.492 3.879 10 40 HHCB COC(=O)/C=C\N(Cc1ccccc1)/N=N/N(/C=C/C(=O)OC)Cc1ccccc1 31771693 WGWHBDYUEFOOAF-CKOJIGCTSA-N 408.458 3.646 10 40 HHCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C/N[C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)C2=O)c(C)c1 101252934 ZIJZQFADSMDGSP-MYLHYHPBSA-N 409.530 3.883 10 40 HHCB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1N1CCOCC1 260771978 MCGRRMQFZFSDBN-URZJWIJPSA-N 424.570 3.906 10 40 HHCB CCCCN1CCc2cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)ccc21 9424434 HBOLJQXOAWWLMS-XMHGGMMESA-N 423.513 3.820 10 40 HHCB COc1ccc(Br)cc1/C=C1/C(=O)N(c2ccccc2)C(=O)N=C1O 13039595 KEFLOEVICNQOTE-GXDHUFHOSA-N 401.216 3.964 10 40 HHCB Cc1ccc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)o1 13644312 IUUCNYGHKHGYAG-WJDWOHSUSA-N 411.508 3.792 10 40 HHCB COc1cc(/C=C2\C(=O)N(C(=O)c3ccc(Cl)cc3)N=C2C)cc(OC)c1OC 13780837 OIBGKDWRHLRRSB-SXGWCWSVSA-N 414.845 3.808 10 40 HHCB O=C(C1=CN(c2ccc(F)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1 49003931 WPARCEDUSPBUOQ-UHFFFAOYSA-N 404.438 3.744 10 40 HHCB Cc1cc(-n2c(C)cc(/C=C3/CCn4c3nc3cc(C(=O)O)ccc3c4=O)c2C)no1 97996069 ZBYLJAORCQRHAT-GDNBJRDFSA-N 416.437 3.743 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OC 408801137 UDHVHHGPRMCQSR-GXDHUFHOSA-N 414.845 3.722 10 40 HHCB CCOc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 409250117 WCENJJOSJPRWKQ-XNTDXEJSSA-N 420.412 3.935 10 40 HHCB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3C(=O)OC)c2C)C(C(=O)OC)=C1C 1106181 AVOBPYORRPRIHF-UYRXBGFRSA-N 422.481 3.573 10 40 HHCB Cc1ccc(N2NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)C2=O)cc1C 5337659 MQKORKAKAPCOMN-YBEGLDIGSA-N 414.303 3.593 10 40 HHCB COc1ccc2cc(/C=C3/SC(=S)N(c4cccc(O)c4)C3=O)c(=O)[nH]c2c1 13691641 ARCDSVKHPFJDIM-CAOOACKPSA-N 410.476 3.648 10 40 HHCB CCCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc1OC 27614765 WQJYCMLQFVAWIC-WJDWOHSUSA-N 409.529 3.638 10 40 HHCB biogenic COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C(=O)O)c3)C2=O)ccc1O 35648269 SFDVQGPCXYTDCX-LZYBPNLTSA-N 401.465 3.813 10 40 HHCB CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 408801300 UYYJGILOJOLXRY-LDADJPATSA-N 408.454 3.767 10 40 HHCB CC(=O)NN1C(=O)/C(=C2/Sc3cc(Cl)c(Cl)cc3N2C)SC1=S 4953998 QWXQGJADDNHMDX-BENRWUELSA-N 406.341 3.616 10 40 HHCB O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 8821558 QQWXOVWRNIRZKG-FMIVXFBMSA-N 423.313 3.517 10 40 HHCB COc1ccc(N2CCN(C[C@H](O)COc3ccccc3-c3ccccc3)CC2)cc1 12420119 JGPIZCYHSHUITB-QHCPKHFHSA-N 418.537 3.924 10 40 HHCB COc1cc(/C=C2\SC(=S)N(CNc3cccc([N+](=O)[O-])c3)C2=O)ccc1O 13398546 AKDPSMDJZZVDMV-PXNMLYILSA-N 417.468 3.580 10 40 HHCB COc1cc(CC[C@@H](CCCCc2ccc(O)c(O)c2)OC(C)=O)cc(O)c1O 225461747 ISMTYWQWKQRTNM-QGZVFWFLSA-N 404.459 3.795 10 40 HHCB biogenic,in-vitro COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C1=O 409140869 SYHKHVNSOIMWIW-LICLKQGHSA-N 401.444 3.685 10 40 HHCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1Cl 4704474 BYUGXEUOQQOPJR-UKTHLTGXSA-N 405.635 3.769 10 40 HHCB CC1CCN(S(=O)(=O)c2ccc(N[C@H](C)c3ccccc3O)c([N+](=O)[O-])c2)CC1 12523206 CKIFHWLOPLKABC-OAHLLOKOSA-N 419.503 3.894 10 40 HHCB Cc1ccc(/N=N/c2cc(C)ccc2NS(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 103008596 YAWCWJNWMPFLQG-GHVJWSGMSA-N 411.487 3.957 10 40 HHCB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)c2C)cc1 223575359 PQXSGCVJAOVMBR-VXKWHMMOSA-N 406.555 3.762 10 40 HHCB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 408807920 PESBQGGRBKYFBK-RVDMUPIBSA-N 415.243 3.514 10 40 HHCB CN1C(=O)/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)C(=O)NC1=S 408908147 BDOPWCQRUUOIBV-XDHOZWIPSA-N 420.465 3.814 10 40 HHCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccn4)c3C)C(=O)NC2=S)c1 409241302 QYGTVBQFIGDCHA-CPNJWEJPSA-N 416.506 3.629 10 40 HHCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCCCC4)cc3)C2=O)c1 4688437 RAKKVAKZBYWJAA-RCCKNPSSSA-N 418.497 3.517 10 40 HHCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 4820236 MBKLLNOWILNQMY-QGOAFFKASA-N 412.877 3.765 10 40 HHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccccc1Br 9010493 CCCBJWJYAZROIF-XFXZXTDPSA-N 420.650 3.681 10 40 HHCB CC(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 22665296 NZJKJFXRCFMANK-DEOSSOPVSA-N 408.590 3.778 10 40 HHCB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 102226891 SVDOVKLHPMAMBM-HRCADAONSA-N 417.461 3.770 10 40 HHCB CCOc1cc(N2CCOCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222597402 YYCKGQBDOPMFST-WQTXXOFMSA-N 424.570 3.906 10 40 HHCB COc1ccc2c(/C=C3/SC(=S)N([C@H](CCSC)C(=O)O)C3=O)c[nH]c2c1 9531355 QILMKFOZODAQNJ-LSRDKYIXSA-N 422.553 3.584 10 40 HHCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1O 12437334 NXUFJTNIYCUFRY-BOPFTXTBSA-N 414.508 3.646 10 40 HHCB Cc1c(Cl)cccc1N1C(=O)N=C(O)/C(=C/c2ccccc2OCC(=O)O)C1=O 33306880 BHFSNZMTJKXYPA-LCYFTJDESA-N 414.801 3.619 10 40 HHCB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1OC 408913591 MGTSHTKOKVLHCY-VGOFMYFVSA-N 418.808 3.553 10 40 HHCB COc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)cc1 409201263 PADTUNHSMQYSCJ-MOSHPQCFSA-N 407.470 3.507 10 40 HHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3C)C2=O)cc1OCC 409208415 BOQHYJWDDPXVOD-QGOAFFKASA-N 408.454 3.849 10 40 HHCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1CNc1ccc([N+](=O)[O-])cc1 4204423 PGMCLNXWQWEGMR-DHDCSXOGSA-N 416.440 3.774 10 40 HHCB COc1ccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(OC)c1 4541398 SCSNAPRRJRLXIL-UHFFFAOYSA-N 408.454 3.907 10 40 HHCB CCc1cc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)ccc1OC 260572759 TYLVEVYUCKDMIA-KRWDZBQOSA-N 402.560 3.972 10 40 HHCB CCc1ccccc1N/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1CC(=O)OC 112289380 GJJHIHHIYZDTPN-STZFKDTASA-N 422.441 3.809 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/c3c(C)n(C)c4ccccc34)C(=O)NC2=S)cc1C 408818666 YJGMGJIWDZJSKU-XDHOZWIPSA-N 403.507 3.935 10 40 HHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OC)C2=O)cc1 408893531 AXUCXWVPTMGLLW-ATVHPVEESA-N 414.845 3.804 10 40 HHCB CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(=O)N3CCCC3)c12 409128246 HVMJQFBRVVKMLT-BOPFTXTBSA-N 413.568 3.657 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC 409130750 UPPSTUONTPLGTB-LFIBNONCSA-N 410.495 3.542 10 40 HHCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=O)N(c4ccccc4)C3=O)c2C)cc1 660418 TXWCEJITOOAKND-STZFKDTASA-N 415.449 3.978 10 40 HHCB CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O 2257168 AJPAVLQPUIZDGP-WQRHYEAKSA-N 414.483 3.702 10 40 HHCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc2c3c(cccc13)C(=O)N(C)C2=O 13282649 FPVUIAXJNODNCQ-UYRXBGFRSA-N 410.433 3.784 10 40 HHCB CSc1cccc(N2C(=O)/C(=C/c3ccc(OCC(N)=O)cc3)SC2=S)c1 34910252 ZVGBNKHYAMXRIS-SXGWCWSVSA-N 416.549 3.678 10 40 HHCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 108986069 STUYHLVZRMAJFN-JCMHNJIXSA-N 400.482 3.622 10 40 HHCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N4CCOCC4)c(OC)c3)N21 260781633 UEKXNKADAFILLU-WTNAPCKOSA-N 424.570 3.906 10 40 HHCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)S1 408755365 UIVMFWVWPYCWLD-YBEGLDIGSA-N 400.843 3.666 10 40 HHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccn4)o3)C(=O)NC2=S)cc1 408991981 PLBQCWLZZIACCY-FOWTUZBSSA-N 421.503 3.966 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1Br 409087574 BXDRLAUEBZKIRZ-ZEVOCZHWSA-N 414.346 3.838 10 40 HHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(F)cc2)C1=O 409238357 NDUULRSBYLQTQX-NBVRZTHBSA-N 419.412 3.682 10 40 HHCB COc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 409338008 BGVUHFYYDAFSDY-CAOOACKPSA-N 401.465 3.838 10 40 HHCB Cc1ccccc1N1CCN(C2=NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)CC1 677957 NVJUCETYJREHJB-PGMHBOJBSA-N 406.555 3.854 10 40 HHCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 5374213 BHTVPEDOELWNEW-LCFDYFRESA-N 400.319 3.904 10 40 HHCB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 409053406 JTSMUWUPHVIBSZ-UYRXBGFRSA-N 422.481 3.647 10 40 HHCB O=C(/C=C/c1ccco1)NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 5024471 PIGWULAMIMWFLN-CSKARUKUSA-N 402.431 3.581 10 40 HHCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O 6545701 XDAASHXJMBEJTG-LICLKQGHSA-N 411.408 3.540 10 40 HHCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C[C@H]2OC(=O)c3ccccc32)cc1 8405573 WDKPHAMLUJZRCC-DENIHFKCSA-N 408.498 3.562 10 40 HHCB COc1ccc(N2CCN(CC(=O)Nc3nc(-c4ccc(C)cc4)cs3)CC2)cc1 20567500 FEQXHRPZNIVVCS-UHFFFAOYSA-N 422.554 3.888 10 40 HHCB COc1ccc(C)cc1NS(=O)(=O)C1=CC=C[C@@H]2C(=O)c3ccccc3C(=O)[C@H]12 26459753 UYUSBWDDRMSMIY-JXFKEZNVSA-N 409.463 3.511 10 40 HHCB Cc1ccc2nc(N/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)sc2c1 97944369 MANJILYPEAEPPL-LCYFTJDESA-N 412.858 3.837 10 40 HHCB Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(O)cc1 205781564 KEHYGYQUFAQQKT-VCHYOVAHSA-N 414.483 3.788 10 40 HHCB CCOC(=O)COc1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1 1410421 RCQAIDZTLFJKGR-GZTJUZNOSA-N 416.524 3.584 10 40 HHCB COc1cccc(/C=C2/SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)c1OC 2262857 FWZXAFVNVQVFNB-SFKKXYGYSA-N 415.492 3.731 10 40 HHCB Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21 2278444 MMWOYHJVFNTBKI-MHWRWJLKSA-N 424.254 3.607 10 40 HHCB Cc1cc(C(=O)COC(=O)c2cnccn2)c(C)n1-c1ccc(OC(F)F)cc1 3337060 MXESSGJJNSKKQL-UHFFFAOYSA-N 401.369 3.525 10 40 HHCB CCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)[C@H](C)CC)C2=O)cc1OC 5373714 ONNTXQSECPYIES-ZYFWLPNBSA-N 409.529 3.794 10 40 HHCB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 16927534 JVHBCVSYFPWMSA-UEXNTNOUSA-N 423.515 3.903 10 40 HHCB COc1ccc(N2C(=O)N=C(O)/C(=C/c3coc4ccc(Cl)cc4c3=O)C2=O)cc1 33539289 PMSKFILYJOQJIJ-PXNMLYILSA-N 424.796 3.962 10 40 HHCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N\c1c(O)cc(S(=O)(=O)O)c2ccccc12 104370022 GQCUEANXEKPQGU-ZREAOVPFSA-N 424.438 3.667 10 40 HHCB Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 409199967 GCIWVKPEIZOYCM-SFQUDFHCSA-N 417.377 3.830 10 40 HHCB CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 409201469 NHRNVPDDASTEOH-NTEUORMPSA-N 404.253 3.726 10 40 HHCB O=C(NN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S)c1ccncc1 1269232 SGCQGOHRBWMSOH-QPEQYQDCSA-N 410.307 3.935 10 40 HHCB O=C(O)CN1C(=O)/C(=C\c2cccn2-c2cccc(Br)c2)SC1=S 9264946 JGBNTAYPWQMRLC-MDWZMJQESA-N 423.313 3.526 10 40 HHCB CC(=O)Nc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)SC2=S)cc1 9972500 YIIJDOMAOJTRIX-NXVVXOECSA-N 413.455 3.512 10 40 HHCB COc1ccccc1C(=O)NN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 51330844 MIWVMGXQVZGRHS-WQRHYEAKSA-N 424.503 3.560 10 40 HHCB O=C(O)CCC(=O)N1N=C(c2ccccc2OC(F)F)C[C@H]1c1ccccc1O 80316145 ZVLDMJZHTLKTEM-HNNXBMFYSA-N 404.369 3.536 10 40 HHCB COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(OC)c1 225838065 XOFZFOFBRLGGTC-HNNXBMFYSA-N 401.532 3.588 10 40 HHCB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccc3nccnc23)SC1=S 256055704 QDUCFMZGSXODIA-WISAJEAXSA-N 421.503 3.527 10 40 HHCB COC(=O)COc1c(/C=C2/SC(=S)N(c3ccccc3)C2=O)cccc1OC 408533791 QTKFUQBNXSWCII-LFIBNONCSA-N 415.492 3.653 10 40 HHCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OC 409346932 OVFQABKAYZCVAZ-XNTDXEJSSA-N 420.537 3.702 10 40 HHCB N=C1/C(=C/c2ccc(O)c(O)c2)C(=O)N=C2SN=C(SCc3ccccc3)N12 4671999 AEVYTLSQHUSOEY-TUQWILOLSA-N 410.480 3.608 10 40 HHCB Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)c2C)cc1 6831020 VRZKWJKMHTZBSY-UHFFFAOYSA-N 406.438 3.927 10 40 HHCB Cc1ccsc1/C=C1/C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 12363098 ONUMTSJPHKBLGU-WQLSENKSSA-N 407.314 3.650 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(OC)c1C 409236666 SWHICSRIBWSHCH-LDADJPATSA-N 424.522 3.967 10 40 HHCB O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 4338928 VDXJBYIOXSDEMF-CSKARUKUSA-N 404.307 3.888 10 40 HHCB Nc1c(N2CCOCC2)cc(Nc2ccc(F)cc2)c2c1C(=O)c1ccccc1C2=O 5484694 BHIWLIMCRWRYIZ-UHFFFAOYSA-N 417.440 3.764 10 40 HHCB CC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc(O)cc3)=NN12 10214209 JVQNXARWJAMQQW-FQEVSTJZSA-N 411.889 3.928 10 40 HHCB COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1NC(C)=O 11615555 JESRELKNNFQZMJ-UHFFFAOYSA-N 417.512 3.886 10 40 HHCB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 14415039 PMWCBSFIXALSLG-RGEXLXHISA-N 407.466 3.706 10 40 HHCB COC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C2=O)CC1 23230777 RJYFEDGPEXZVEE-VQERKYHCSA-N 420.469 3.619 10 40 HHCB CCN(CC)c1ccc(CNC(=O)c2ccc(N(CC)S(=O)(=O)CC)cc2)cc1 223294270 BWXYHSOTSSDTKM-UHFFFAOYSA-N 417.575 3.639 10 40 HHCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3O)C2=O)cc1 408896007 GIYTWFZFOGGEDM-WJDWOHSUSA-N 400.818 3.501 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1OCC 409249000 IVAIOYRFAMWSQL-SFQUDFHCSA-N 424.522 3.932 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Cl)c2c(c1)OCCCO2 9322969 LNDBSYANNHEGGN-UHFFFAOYSA-N 416.905 3.610 10 40 HHCB COc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC 1009760 ZNFYXETVUVNULJ-MHWRWJLKSA-N 401.465 3.808 10 40 HHCB COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(O)=NC2=S)cc1 2369410 FPWBZIDABDJVKR-CPNJWEJPSA-N 419.462 3.863 10 40 HHCB O=C1/C(=C/c2cccs2)SC(=S)N1CC(=O)N1CCCc2ccccc21 2594615 NMHBFVWUUJBMIG-WJDWOHSUSA-N 400.550 3.929 10 40 HHCB CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cc(O)ccc3O)=NN12 10214235 SAZOLDWCMNVBCN-IBGZPJMESA-N 423.469 3.590 10 40 HHCB Cc1ccc(N2NC(=O)/C(=C/c3c(O)ccc4cc([N+](=O)[O-])ccc34)C2=O)cc1C 23410484 WLDZIRZDQRHVPH-ODLFYWEKSA-N 403.394 3.532 10 40 HHCB COc1cccc(-n2c(C)cc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)c2C)c1 30231321 FNSNOYJGPPTWJL-UHFFFAOYSA-N 413.499 3.727 10 40 HHCB CC(C)=C[C@H]1[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)C1(C)C 35092912 LFUJDIBEYVPDBD-HKBOAZHASA-N 418.603 3.507 10 40 HHCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2C)SC1=S 54361100 YZESAYPDGUCDEM-HWSBYKFUSA-N 421.565 3.801 10 40 HHCB O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 59417976 UOMMUQPGGUMLIN-AUWJEWJLSA-N 403.397 3.614 10 40 HHCB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)n1-c1ccccc1 223290079 WKYLZSUSKSBXBC-VXKWHMMOSA-N 405.571 3.715 10 40 HHCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(OCC)c1 408778168 PXDAGXSDOWKRNL-XDHOZWIPSA-N 408.454 3.767 10 40 HHCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccccc2)C1=O 409246677 AFWQGDXLUNOUQQ-OBGWFSINSA-N 401.422 3.542 10 40 HHCB O=C1NC(=O)C(=CC2=C(c3ccccc3)Oc3ccccc3[C@H]2c2ccccc2)C(=O)N1 3195798 IUUQTHQFRZERRH-JOCHJYFZSA-N 422.440 3.915 10 40 HHCB Cc1cc(C)cc(NC2=NC(=O)/C(=C/c3cn(CC(N)=O)c4ccccc34)S2)c1 6266271 SSKGEPJZQUUWGO-GRSHGNNSSA-N 404.495 3.826 10 40 HHCB CCCCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)C1=O 9012026 WSIMACRLKNRRHT-LTGZKZEYSA-N 417.509 3.901 10 40 HHCB CCOc1ccccc1/C=C1/C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O 15013420 MMHCCRPMINXKCZ-KAMYIIQDSA-N 400.887 3.878 10 40 HHCB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3cc(C(C)C)c(C)cc3O)CC2)c1 21540429 USGDLWDKYRLHDR-UHFFFAOYSA-N 416.587 3.947 10 40 HHCB COc1ccc2nc(/C=C3\SC(=S)N([C@@H](C(=O)O)C(C)C)C3=O)ccc2c1 54360846 SXSLAJFRSAEVDU-QOBZYLRHSA-N 402.497 3.554 10 40 HHCB COc1ccc(N2CCN(C(=O)CN[C@H](c3ccccc3)c3cccs3)CC2)cc1 57435071 HZJCRNNVIDYIIT-XMMPIXPASA-N 421.566 3.785 10 40 HHCB COC(=O)c1cc(NC(=S)NCCN(C)c2ccc(OC)cc2)ccc1Cl 225798590 QFUNIPFULJLOHU-UHFFFAOYSA-N 407.923 3.558 10 40 HHCB COc1ccc(CCN2C(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)SC2=S)cc1 5552102 VVJWVIJBLMSWSF-MSUUIHNZSA-N 414.483 3.601 10 40 HHCB CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 12555397 BJHUBQMNUARKSB-UHFFFAOYSA-N 415.342 3.651 10 40 HHCB O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 15219864 DKGVKDUTYYCHPA-ZSOIEALJSA-N 403.397 3.614 10 40 HHCB CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OCc1cccc(F)c1 27369865 MLDRQFLTJBHKIE-YBFXNURJSA-N 414.458 3.910 10 40 HHCB O=C(NN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S)c1ccc(F)cc1 54360634 DHZZITIXQNQYGW-YVLHZVERSA-N 412.467 3.691 10 40 HHCB CNc1cc(CN(C)Cc2ccc(N3CCC[C@H](C)C3)cc2)nc(C2CCNCC2)n1 72370119 CTEDQVUKKCHDEV-IBGZPJMESA-N 422.621 3.854 10 40 HHCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)c(OC)c3)N21 222691728 UEKXNKADAFILLU-MTNREXPMSA-N 424.570 3.906 10 40 HHCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OC(C)C)C2=O)cc1 408805037 CMYWIZLMCIKLMT-XDHOZWIPSA-N 424.453 3.548 10 40 HHCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)c1 408961118 RDESLHSPZBNAOO-KGENOOAVSA-N 419.481 3.660 10 40 HHCB O=C1N=C(N2CCOCC2)S/C1=C\c1cn(Cc2ccccc2)c2ccccc12 1414825 LMSMWFLDNQJLHS-STZFKDTASA-N 403.507 3.992 10 40 HHCB COc1ccc(N2CCN([C@H](CNC(=O)c3ccc(C)cc3)c3ccco3)CC2)cc1 56946272 LZGPWCWRCDURLP-HSZRJFAPSA-N 419.525 3.890 10 40 HHCB O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 72277267 FUDMLYYDMIVLMI-RTBURBONSA-N 402.897 3.860 10 40 HHCB Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)c1C 409075761 XRZIZQBYDPGAOR-SFQUDFHCSA-N 423.513 3.874 10 40 HHCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1F 223616211 GJRLBQQDPHDFAL-VXKWHMMOSA-N 424.545 3.983 10 40 HHCB COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)O 9188450 ZNQLFNFPSZERTF-YVLHZVERSA-N 415.492 3.873 10 40 HHCB CN1CCc2cc([C@H](CNC(=O)c3ccc(C(C)(C)C)cc3)N3CCOCC3)ccc21 22733520 ORZIDZYRXWRFKS-DEOSSOPVSA-N 421.585 3.780 10 40 HHCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc(Nc2ccccc2)cc1 408547055 HVNBQHNNJLIPDE-UYRXBGFRSA-N 402.410 3.598 10 40 HHCB Cc1ccccc1Oc1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 408547109 YCQQGBRASUMCFA-UYRXBGFRSA-N 417.421 3.955 10 40 HHCB O=C(NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)c1ccc([N+](=O)[O-])cc1 1810958 FYLKSCJUXMYDEV-SXGWCWSVSA-N 424.463 3.622 10 40 HHCB CCN1C(=O)/C(=C2/C(=O)N3c4c2cc(OC)cc4[C@H](C)CC3(C)C)SC1=S 2431421 GEINNPXSBXXBAF-UKNJIDDLSA-N 402.541 3.919 10 40 HHCB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(N(C)C)cc2)N3)C1 4091107 DRRXFPVBQHSEKC-KRWDZBQOSA-N 400.504 3.758 10 40 HHCB Cc1noc(C)c1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 6831458 VPNBLGHCWQYYMO-UHFFFAOYSA-N 410.426 3.510 10 40 HHCB C[C@@H]1Cc2cc(/C=C3\SC(N4CCN(Cc5ccccc5)CC4)=NC3=O)ccc2O1 16810429 PGECTNTVYQCOLK-JVDNRXPZSA-N 419.550 3.798 10 40 HHCB CCOc1ccc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1OC 20289336 MWSVKHCBDDHARX-LTGZKZEYSA-N 423.538 3.886 10 40 HHCB CC(C)=C[C@H]1[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)C1(C)C 35092910 LFUJDIBEYVPDBD-QHAWAJNXSA-N 418.603 3.507 10 40 HHCB Cc1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/c4ccccc4)SC3=S)C2=O)cc1 100864157 XGHFXIHGGRNLHX-FDIDWWNZSA-N 408.504 3.528 10 40 HHCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC)C2=O)c1 409097860 HPZQNSICCUOKDI-GZTJUZNOSA-N 414.845 3.804 10 40 HHCB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OCC)cc2O)N3)C1 5980298 TWZHWASUASTZQI-KRWDZBQOSA-N 417.487 3.796 10 40 HHCB COC(=O)c1[nH]c2ccccc2c1/C=C1/C(=O)N(c2ccc(F)cc2)C(=S)N=C1O 17027730 UTSXTFBMAFSULH-XNTDXEJSSA-N 423.425 3.765 10 40 HHCB O=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1cccc2nsnc12 19108167 WDPZELJVQVPBMJ-UHFFFAOYSA-N 410.480 3.744 10 40 HHCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)C(=O)NC2=S)c1 408961648 UJIWYOCDRZNHLZ-XSFVSMFZSA-N 421.522 3.517 10 40 HHCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(CC)CC)cc3C)C2=O)c1 4747757 RTAXXHXCKNUACX-KGENOOAVSA-N 421.497 3.906 10 40 HHCB COc1ccc2c(c1)CCCN2Cc1nnc(C(=O)NCc2ccc(C)cc2)s1 12734295 AWTKVZGYXDYYNA-UHFFFAOYSA-N 408.527 3.738 10 40 HHCB COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCC(=O)Nc1ccccc1C 14903973 RKVQAVMFRIZOLP-LICLKQGHSA-N 414.508 3.510 10 40 HHCB Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1 21866241 FICIQCOABYCSFS-OAQYLSRUSA-N 409.555 3.959 10 40 HHCB CCN1CCN(Cc2c(O)ccc3cc(-c4nc5ccccc5s4)c(=O)oc23)CC1 41515054 KYRKOIZEMGLJEE-UHFFFAOYSA-N 421.522 3.913 10 40 HHCB biogenic C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3cccc(NS(C)(=O)=O)c3)cc2)C1 218567509 KQJVUIRXEFANIG-IAGOWNOFSA-N 415.559 3.785 10 40 HHCB Cc1cc(/C=C2\C(=N)N3N=C(C4CC4)SC3=NC2=O)c(C)n1-c1cccc(O)c1 5341593 KKZUXAWVTKJVLY-PQOWSYMHSA-N 405.483 3.829 10 40 HHCB CCN(CC)c1ccc(N/C=C2\C(=O)N(C)C(=S)N(c3ccccc3)C2=O)cc1 6418021 ZGWJKCSRMIEVAQ-XDJHFCHBSA-N 408.527 3.619 10 40 HHCB O=C1N=C(S)N(c2ccccc2)C(=O)/C1=C\c1cc2c3c(c1)CCCN3CCC2 6898835 MRYOEQUWHASEFP-RGEXLXHISA-N 403.507 3.628 10 40 HHCB NC(=O)NC(=O)CCSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1 24893511 LETHINJGNSJTQT-UHFFFAOYSA-N 414.918 3.929 10 40 HHCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Br)ccc3O)C2=O)cc1 83261369 PEYMGHGTSFXQHG-NTEUORMPSA-N 417.215 3.670 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccccn4)o3)C2=O)cc1 408991712 OXYBZXJUIWHOSC-FOWTUZBSSA-N 405.435 3.801 10 40 HHCB CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)cc1 409214112 VWIFTWDQLNFTDN-UYPHOHSBSA-N 415.559 3.970 10 40 HHCB CC(C)Cc1cc(C(=O)Nn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)n[nH]1 1547200798 GLGFNSLPDTWINM-UHFFFAOYSA-N 412.449 3.518 10 40 HHCB CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)NC3=O)cc2)cc1 39794068 NWUAZSKPAOCMHV-BOPFTXTBSA-N 414.508 3.592 10 40 HHCB CCCCCC1=NN2C(=N)/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)N=C2S1 41083124 HCOQOFFFAUAVEC-JJIJXQAVSA-N 416.503 3.912 10 40 HHCB CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)cc1 41084664 OHZYHABZBLXGPI-FJRYHWHXSA-N 424.574 3.841 10 40 HHCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(CN2CCOCC2)c2ccccc12 100998892 BTSUQXMTYBQNPH-PXLXIMEGSA-N 400.482 3.737 10 40 HHCB CC1=NN(c2ccc3nnc(C(F)(F)F)n3n2)C(=O)/C1=C/Nc1ccccc1Cl 101652312 MWDZHGYIDJLLFC-CSKARUKUSA-N 421.770 3.515 10 40 HHCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NC(C)(C)C)c4ccccc34)[C@@H]21 1565524939 YPIQGZFGQBFHRE-HSZRJFAPSA-N 416.525 3.703 10 40 HHCB CCn1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21 686360 FFMYOWAWFZRWHI-PDGQHHTCSA-N 405.479 3.501 10 40 HHCB COc1ccc(/C=C2\C(=O)N=C(O)N(Cc3ccc(F)cc3)C2=O)c2ccccc12 1247770 LSCIVGJMWOROAU-XDHOZWIPSA-N 404.397 3.854 10 40 HHCB O=C1N=C(N2CCCC2)S/C1=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1 5149742 DPTSRNZBNGMMQN-JXAWBTAJSA-N 414.508 3.520 10 40 HHCB COC(=O)c1cc2ccccc2c(CN(C)Cc2ccc(N3CCOCC3)cc2)c1O 16878796 LCVUETIYGBXKJD-UHFFFAOYSA-N 420.509 3.801 10 40 HHCB Cc1cccc(N2C(=O)/C(=C\N3c4ccc(F)cc4CC[C@@H]3C)C(=O)NC2=S)c1 98086674 NXRCLTJSJGUOFU-HIXWQLQUSA-N 409.486 3.607 10 40 HHCB C[C@@H]1[C@@H](NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)CCC[C@H]1C 107548057 AVGZDESZBKNBEP-SIFCLUCFSA-N 419.477 3.560 10 40 HHCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)C1=O 208445311 ZFYQOFIWAARKBA-VZWMTCDZSA-N 400.500 3.916 10 40 HHCB CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cccc1OC 408903122 PORCISNTMBKQLP-VLURKWGBSA-N 412.417 3.678 10 40 HHCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccccc1C(=O)O 8763453 VNMYZUCXXKBSJZ-RVDMUPIBSA-N 416.480 3.598 10 40 HHCB Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(C(C)(C)C)ccc3O)CC2)cc1 19313357 YUXCLQGAPIMKBS-UHFFFAOYSA-N 402.560 3.505 10 40 HHCB O=C1c2ccccc2N[C@H](c2cccc(Br)c2O)N1C[C@H]1CCCO1 54681739 XAZFSJNVTDYTDT-XIKOKIGWSA-N 403.276 3.900 10 40 HHCB Cc1ccc(N2C(=O)N=C(O)/C(=C\NC3CCN(Cc4ccccc4)CC3)C2=O)cc1 103108222 IRNHPRNPGSHNDH-RCCKNPSSSA-N 418.497 3.556 10 40 HHCB COC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)C1=O 208229758 ASJAQGONFPEEBS-YRUBURHZSA-N 402.516 3.926 10 40 HHCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)cc1 222765488 YBHJBKOZDJMSCJ-LEWJYISDSA-N 420.538 3.878 10 40 HHCB COc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1[N+](=O)[O-] 409338839 BYQHIDRXAOFSTR-NVNXTCNLSA-N 417.424 3.917 10 40 HHCB COc1ccc(N2CCN(c3c(CN4CCCC4)c(=O)oc4ccccc34)CC2)cc1 7504113 YUPURIVCLRTLFO-UHFFFAOYSA-N 419.525 3.724 10 40 HHCB CCc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(F)cc32)cc1 48988591 KNXZOXLNZJDXIC-UHFFFAOYSA-N 400.475 3.777 10 40 HHCB COc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(Cc2ccccc2F)C1=O 3659152 IAHJMAKAEYCANP-DEDYPNTBSA-N 409.461 3.918 10 40 HHCB CCOc1ccc(/C=C2\C(=O)N(Cc3ccccc3)C(C)=C2C(=O)OC)cc1OC 6964040 IHGRAUAQNMNSTF-UYRXBGFRSA-N 407.466 3.967 10 40 HHCB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1OC 15276800 KIDNBBKHELPXHX-GZTJUZNOSA-N 414.508 3.558 10 40 HHCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cc(C)cc(C)c1 17093018 CAAUPQLEZFUJET-QNGOZBTKSA-N 422.441 3.863 10 40 HHCB O=C(O)CCn1c(/C=C/c2cnn(-c3ccc(Cl)cc3)c2)nc2ccccc2c1=O 40139849 JTTBSZXGHBJPJD-BJMVGYQFSA-N 420.856 3.881 10 40 HHCB CCN(CC)c1ccc(CN2CCc3c(nc(N4CCCC[C@@H]4C)[nH]c3=O)C2)cc1 72347323 SUXGPRCLSAIDJA-SFHVURJKSA-N 409.578 3.553 10 40 HHCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(Cl)cc(N2CCCC2)n1 225956724 PALIUFYMOPEAAK-UHFFFAOYSA-N 416.982 3.817 10 40 HHCB COc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c(OC)c1OC 1192644 WNYFKQZWVRDTND-GXDHUFHOSA-N 416.817 3.873 10 40 HHCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)NC(=O)C(C)(C)C)c2C)cc1F 22525307 PGFGRPFYVDTVGC-HNNXBMFYSA-N 416.493 3.818 10 40 HHCB Cc1cc(C(=O)COC(=O)c2cc[n+]([O-])cc2)c(C)n1-c1ccc(F)c(Cl)c1 61060723 ZWSSDEMYQAWUTO-UHFFFAOYSA-N 402.809 3.560 10 40 HHCB COc1ccc(OC)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1 409100777 VDURBRKNDUUEIO-FMIVXFBMSA-N 421.236 3.677 10 40 HHCB COc1ccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc1Br 725516 KAUCTONKMICYTJ-NTUHNPAUSA-N 407.651 3.573 10 40 HHCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N2CCC(C)CC2)C1=O 4263395 ZQZHNDYNPSKETR-LGMDPLHJSA-N 404.557 3.545 10 40 HHCB COc1ccc(N2CCN(CCCNC(=O)Cc3cccc4ccccc34)CC2)cc1 11853449 GZMFXJMMDVHWSC-UHFFFAOYSA-N 417.553 3.719 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)ccc1O 409232645 AVQLQLOUTYTCKI-GZTJUZNOSA-N 410.495 3.746 10 40 HHCB CS(=O)(=O)N(Cc1ccc(C(=O)N=NC=C2C=CNC=C2)cc1)c1ccccc1 409415945 UKKBMXJHOMOEKD-UHFFFAOYSA-N 408.483 3.760 10 40 HHCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cccc(Br)c1 1090819 YRCBICKNTSPDOJ-YBEGLDIGSA-N 402.244 3.915 10 40 HHCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 5371592 CKOPVRIIUBFCOU-CMWXKVOJSA-N 404.307 3.743 10 40 HHCB Cc1ccc(N2NC(=O)/C(=C/c3cc(Cl)cc(Br)c3O)C2=O)cc1 5751388 SQWMBMSHOVZOBC-QPEQYQDCSA-N 407.651 3.578 10 40 HHCB CCOC(=O)c1ccc(NC(=O)C[C@@H]2SC(=O)N(c3ccccc3C)C2=O)cc1 12136905 QSLCESWGUYSWIO-KRWDZBQOSA-N 412.467 3.769 10 40 HHCB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccccc2)SC1=S 256055866 WROKJZKDERPCTB-OLCHLOJWSA-N 412.536 3.975 10 40 HHCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)C(=O)NC2=S)cc1 409020707 SGXSEZWCZPCABE-QGOAFFKASA-N 404.447 3.787 10 40 HHCB O=C(COc1ccc(/C=C2/SC(=S)NC2=O)cc1Cl)Nc1ccccc1F 409378091 NGIBBHCYXJPJBQ-OVCLIPMQSA-N 422.890 3.985 10 40 HHCB Cc1cc(Br)c(O)c([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 1756431 NXDQHZDLIIEYSV-RDJZCZTQSA-N 401.260 3.633 10 40 HHCB biogenic CCN(CC)C(=O)[C@H]1C=C2c3cccc4c3c(c(Br)n4C)C[C@H]2N(C)C1 5011701 KLMFUBCMJSPRPY-SCLBCKFNSA-N 416.363 3.679 10 40 HHCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1 8916237 HKKOKYQLSGKXDO-PDGQHHTCSA-N 417.377 3.830 10 40 HHCB CCOc1ccc(/N=N\[C@H]2C(=O)N(C(=O)CC(=O)Nc3ccc(C)cc3)N=C2C)cc1 104314528 SPNIVWLVNYTIJT-AGHKFTSRSA-N 421.457 3.620 10 40 HHCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(Br)ccc1OC 408999101 KDNHQWNHYDLKJA-DHDCSXOGSA-N 408.292 3.786 10 40 HHCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)NC2=S)c1 4676277 QRZJNWPEOSNYQI-CPNJWEJPSA-N 417.490 3.631 10 40 HHCB CN(C)c1ccc(CN(Cc2ccco2)C(=O)COc2cccc([N+](=O)[O-])c2)cc1 8846293 UEGQKLRGDCBMTM-UHFFFAOYSA-N 409.442 3.862 10 40 HHCB COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(F)c4)o3)C(=O)NC2=S)cc1 9260353 YDHQXDMMXCJRHG-PDGQHHTCSA-N 422.437 3.926 10 40 HHCB Cc1ccc(S(=O)(=O)n2cc(/C=C3\SC(=S)NC3=O)c3ccccc32)cc1 12628649 CNSLKOTZZFTOSZ-YVLHZVERSA-N 414.533 3.676 10 40 HHCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc3c(c2)CCCN3C)SC1=S 13736358 LPMHWPBUPFMTRI-KTZOAPACSA-N 404.557 3.770 10 40 HHCB COc1ccc2cc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c(C)nc2c1 19715206 STAJWGUCZGNSHU-MRXNPFEDSA-N 405.498 3.879 10 40 HHCB COc1ccc(N2CCN(C(=O)[C@H](C)Sc3ccc(OC)c(OC)c3)CC2)cc1 44901574 SXEOIBRQBKXAJO-INIZCTEOSA-N 416.543 3.542 10 40 HHCB CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H](CNC(=O)[C@H]4CC=CCC4)CC3)ccc21 257327579 XBXSSPHVCSRPPZ-BVSLBCMMSA-N 423.601 3.964 10 40 HHCB COc1cc([N+](=O)[O-])ccc1NN/C=C1\C(=O)N(c2ccc(C)c(Cl)c2)N=C1C 408530115 ISOUUMCPYCKOJL-GDNBJRDFSA-N 415.837 3.788 10 40 HHCB COc1cc(/C=C2\SC(N3CCN(c4ccc(C)cc4)CC3)=NC2=O)ccc1O 1868167 OOHSXWAIQKUBMX-ZHZULCJRSA-N 409.511 3.502 10 40 HHCB Cn1cccc1/C=C1/SC(Nc2cccc(I)c2)=NC1=O 5374468 DMZOVSXOUGZDNN-UKTHLTGXSA-N 409.252 3.712 10 40 HHCB CCOc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)N(c2ccc(NC(C)=O)cc2)N=C1C 6488384 MSHTTXZFNSBWON-XDHOZWIPSA-N 408.414 3.758 10 40 HHCB C[C@H](OC(=O)/C=C/c1ccco1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 8231426 CUKIATURLOPKNW-GETOMWPZSA-N 415.401 3.639 10 40 HHCB Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)s3)C(=O)NC2=S)c(C)c1 9262623 PUSRREHSLFSXRR-WQLSENKSSA-N 421.341 3.959 10 40 HHCB O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccccc1[N+](=O)[O-] 28296855 DJRLTTUQBIUQGN-OQLLNIDSSA-N 417.443 3.574 10 40 HHCB O=C(O)CCC(=O)N1N=C(c2ccccc2OC(F)F)C[C@@H]1c1ccccc1O 80316150 ZVLDMJZHTLKTEM-OAHLLOKOSA-N 404.369 3.536 10 40 HHCB CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cccc1OC 408895915 GBVKJNHMGAAMRN-VUODPORTSA-N 408.454 3.847 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 409398755 CMBXYYBGVVGFSU-ZHZULCJRSA-N 415.405 3.635 10 40 HHCB Cc1cc(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c(C)n1-c1ccccc1F 8658461 YNGDLQZJKOLUJG-UHFFFAOYSA-N 411.477 3.917 10 40 HHCB Cc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)NC1=O 12285433 ZHTRLZKDICFWFU-GZTJUZNOSA-N 416.480 3.850 10 40 HHCB Cc1nnc(SCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)nc1O 24746983 WQUBONHLTAGXLV-UHFFFAOYSA-N 420.441 3.870 10 40 HHCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CC[C@@H](C)C2 35898123 KTHFHVLRIZBOIV-XRQSXFTLSA-N 417.527 3.901 10 40 HHCB CSc1nnc(-c2ccccc2N/C=C2\C(=O)N(c3ccccc3)N=C2C)c(O)n1 100381452 FUVDYDMPTGXVTL-VBKFSLOCSA-N 418.482 3.685 10 40 HHCB N=C/C(=C1/N=CC(c2ccc(N3CCNCC3)cc2)=CN1)c1ccnc2ccccc12 252286720 FXFWSXFDPAHNQZ-MERYLAAMSA-N 408.509 3.678 10 40 HHCB Cc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 408902795 LJMDRDAYCQAXET-XSFVSMFZSA-N 407.445 3.791 10 40 HHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCCCC4)cc3)C2=O)c1 9264419 PYYBYMHVHJPNKI-QNGOZBTKSA-N 403.482 3.960 10 40 HHCB COc1ccc(N2CCN(C(=O)c3cccc(Oc4ccc(C)nn4)c3)CC2)cc1 56906630 QPZRGIXTPKZGNR-UHFFFAOYSA-N 404.470 3.548 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(OC(C)C)c1 408801906 WSDLKCMEMFZOKI-WOJGMQOQSA-N 408.454 3.766 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC 408808295 FLKTVXCLKBUGLB-XNTDXEJSSA-N 414.845 3.804 10 40 HHCB CC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc(O)cc3)=NN12 10214211 JVQNXARWJAMQQW-HXUWFJFHSA-N 411.889 3.928 10 40 HHCB COc1cc(/C=C2\SC(=S)N(CC(=O)OC(C)C)C2=O)ccc1OC(C)C 12635808 XXDXHOPYJPKVQU-SXGWCWSVSA-N 409.529 3.635 10 40 HHCB COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c1 16661710 UYXWIHXEICHGIJ-GZTJUZNOSA-N 414.508 3.558 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2nc3ccccc3[nH]2)o1 107677200 PPXSDJOCDWIZQJ-QINSGFPZSA-N 402.435 3.769 10 40 HHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(O)cc1 223618153 YFGWCIMWUMJGIC-YADHBBJMSA-N 422.554 3.550 10 40 HHCB COc1ccc(Cn2nnnc2[C@@H](c2ccc(N(C)C)cc2)N2CCC(C)CC2)cc1 4092859 BTPQTSPIWSLFSF-HSZRJFAPSA-N 420.561 3.617 10 40 HHCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2)cc1 20460509 FTLQCRYOWPLLNU-UHFFFAOYSA-N 424.522 3.998 10 40 HHCB CCOc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1OC 59136078 XVLSPGVEQGCLAH-JLHYYAGUSA-N 400.431 3.905 10 40 HHCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\NC(=O)Nc3cccc(C)c3C)C2=O)c(C)c1 408533459 SHOYTBLJYUIGHB-GZTJUZNOSA-N 420.469 3.517 10 40 HHCB CCc1nnc(NC(=O)CN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)s1 1737072 YFOONXZDOABPCZ-XFFZJAGNSA-N 424.960 3.594 10 40 HHCB COC(=O)Cc1c(C)c2cc(Cl)c(O)c(CNc3ccc(OC)cc3)c2oc1=O 9061315 NKYLXLPOCUBOFG-UHFFFAOYSA-N 417.845 3.797 10 40 HHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1ccccc1 33735497 ACROMOCDUBBBJJ-RGEXLXHISA-N 415.405 3.635 10 40 HHCB O=C1C[C@@H](c2cccnc2)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96115527 RSRRQFZGHNPIHP-AWEZNQCLSA-N 401.374 3.707 10 40 HHCB biogenic COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 225105037 IFOLJGHJHZULEG-IAGOWNOFSA-N 416.543 3.749 10 40 HHCB O=C(COc1ccc(/C=C2\SC(=S)NC2=O)cc1Cl)Nc1ccccc1 408529438 HZMYUGBNEBUFQP-DHDCSXOGSA-N 404.900 3.846 10 40 HHCB Cc1ccc2ccccc2c1COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 408873150 NQAFARKPRACYHD-UHFFFAOYSA-N 402.475 3.642 10 40 HHCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccn1-c1ccccc1F 408967281 UIPBNNLEYVRYFX-FOWTUZBSSA-N 409.804 3.936 10 40 HHCB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1cccc(C(=O)O)c1 2483401 SDFCCLPRBMXYOP-UHFFFAOYSA-N 422.422 3.821 10 40 HHCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C(=O)NC1=S 6517614 UCCFAWQTQDVUMO-DEDYPNTBSA-N 403.507 3.894 10 40 HHCB CCCCN1C(=O)/C(=C\c2cc(Br)ccc2OC)C(C(=O)OC)=C1C 409196122 NJXVHPGAIHPAAN-PTNGSMBKSA-N 408.292 3.930 10 40 HHCB CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(CC)C2=O)cc1OC 409329912 ISLIROAXUMXFLB-MDWZMJQESA-N 415.920 3.512 10 40 HHCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409346812 OQBLGBRNZKQUJK-ZSOIEALJSA-N 403.441 3.622 10 40 HHCB CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Cl)c1OCC(=O)OC 409347740 QVOOURDGHWLOPR-MDWZMJQESA-N 415.920 3.512 10 40 HHCB CCOc1ccc2nc(N/C=C3/C(=O)NC(=O)N(c4cccc(C)c4)C3=O)sc2c1 6631224 XZXKLNBHYZAORT-PTNGSMBKSA-N 422.466 3.582 10 40 HHCB CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(O)cc3)=NN12 10214197 IMDZSMWKNDJXRJ-HXUWFJFHSA-N 407.470 3.884 10 40 HHCB COc1ccccc1N1C(=O)/C(=C\c2ccccc2OCC(=O)O)SC1=S 16909806 YPXAPHSUPSQAFA-MHWRWJLKSA-N 401.465 3.564 10 40 HHCB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2ccc(C)cc2)cs1 11615695 LSFAHAVOKAIGHY-UHFFFAOYSA-N 417.512 3.886 10 40 HHCB C=CCOc1c(CC=C)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC 33737687 VGGJGCZRABSXLM-HKWRFOASSA-N 404.466 3.840 10 40 HHCB CN1C(=O)C(=Cc2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N(C)C1=S 59139709 AWDRIEHDUYKIAE-UHFFFAOYSA-N 423.925 3.942 10 40 HHCB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)cc21 223565483 OBTIEOXXVDFLMT-NHCUHLMSSA-N 408.571 3.678 10 40 HHCB COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 224519736 NGWFSIJPWJFTJP-MRXNPFEDSA-N 402.516 3.503 10 40 HHCB COc1cc(N2Cc3ccccc3[C@@H](c3nccn3Cc3csc(C)n3)C2)ncn1 306134640 NUAOSBRSWWIVQA-IBGZPJMESA-N 418.526 3.647 10 40 HHCB COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC 408901639 GXZGSTMHVIACDQ-GZTJUZNOSA-N 415.492 3.653 10 40 HHCB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2C)C1=O 409210488 JDCFPDBXEMSHJR-AQTBWJFISA-N 401.532 3.548 10 40 HHCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)COc2ccccc2Cl)cc1 6747947 LHKFTIQWIZVMMU-LJQANCHMSA-N 402.922 3.993 10 40 HHCB O=C(NN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S)c1cccc(Cl)c1 27533886 GPJJDLAEOMLTON-NTEUORMPSA-N 414.899 3.763 10 40 HHCB CCCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 102188015 HRLXEJZZCIFVET-RKLWJJNISA-N 405.516 3.879 10 40 HHCB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)c2C)cc1 223575216 PQXSGCVJAOVMBR-FGZHOGPDSA-N 406.555 3.762 10 40 HHCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1F 223616067 GJRLBQQDPHDFAL-FGZHOGPDSA-N 424.545 3.983 10 40 HHCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(F)c1 223616328 JTZJIMAODZPFGU-YADHBBJMSA-N 424.545 3.983 10 40 HHCB COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 224519687 NGWFSIJPWJFTJP-INIZCTEOSA-N 402.516 3.503 10 40 HHCB CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)C(=O)NC2=S)cc1 408960498 MKZATVFJLKDXKD-RCCKNPSSSA-N 419.550 3.989 10 40 HHCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(OC)c1C 409234907 AJTMZEATLDZBJD-GXDHUFHOSA-N 414.845 3.640 10 40 HHCB CCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(C(=O)OC)cc4)o3)C(=O)N=C2S1 3864207 SDFYCMQZQWAQJW-QBILMKHKSA-N 408.439 3.762 10 40 HHCB O=C(CN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc2nccnc2c1 9052478 YZYUZQOQAPBLKR-MFOYZWKCSA-N 424.482 3.609 10 40 HHCB Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4cccc([N+](=O)[O-])c4)S3)CC2)c1 9806188 PPOLVAWXXDEDIP-XMHGGMMESA-N 408.483 3.696 10 40 HHCB Cc1ccc(OCCOCCOc2ccc(/C=C3\SC(=S)NC3=O)cc2)cc1 13942764 PGPZPHUMYQJTEC-RGEXLXHISA-N 415.536 3.958 10 40 HHCB O=C(COc1ccc(Cl)cc1/C=C1\SC(=S)NC1=O)Nc1ccccc1 15056159 IRTHGAGSQYWEMJ-DHDCSXOGSA-N 404.900 3.846 10 40 HHCB Cc1ccc(-n2c(C)cc(CN(CCN3CCOCC3)Cc3cccnc3)c2C)nc1 19216206 DKBCLBHNXGMRCN-UHFFFAOYSA-N 419.573 3.527 10 40 HHCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)o3)C(O)=NC2=S)cc1 59138541 QQESVOMGZJSTIL-GHRIWEEISA-N 411.483 3.950 10 40 HHCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)C(C(=O)OC)=C2C)cc1 408895665 VJOLCRABGNRCQL-ZHZULCJRSA-N 421.449 3.749 10 40 HHCB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)cc2)SC1=S 409204088 AUPYPPOHFCSEMO-YVLHZVERSA-N 417.483 3.779 10 40 HHCB CN1C(=O)/C(=C/c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(O)=NC1=S 2383547 SNDWOCOUFPWKAY-LFIBNONCSA-N 411.914 4.000 10 40 HHCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NCCc1ccccc1 5370800 MHUUXWHDVPRXNW-DTLUPDQHSA-N 408.548 3.803 10 40 HHCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccccc1I 13647666 HMKYTMDOTVBQJV-UHFFFAOYSA-N 406.267 3.821 10 40 HHCB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(N(C)C)cc1 40484576 YFNNQLCHDLKHRF-NRFANRHFSA-N 418.501 3.670 10 40 HHCB COc1nc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc2ccccc12 65551677 PUTKVQZQDGHFET-IYBDPMFKSA-N 423.488 3.926 10 40 HHCB CCOc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S 4745464 KMEVWHCURRZBKU-FOWTUZBSSA-N 402.497 3.908 10 40 HHCB CCOc1cccc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(C)=C2C(=O)OC)c1O 6964918 GAHVBEWUHHJFTC-UYRXBGFRSA-N 423.465 3.672 10 40 HHCB Cc1ccc(-c2nc(NC=C3C(=O)NC(=O)NC3=O)sc2-c2ccc(C)cc2)cc1 9439557 PSWLKSREBBAACS-UHFFFAOYSA-N 418.478 3.756 10 40 HHCB COc1ccc(OC)c([C@@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3O)=NN2)c1 12407764 QKIQPMOFPASYSF-INIZCTEOSA-N 408.454 3.880 10 40 HHCB CN(C)c1ccc([C@@H](CNC(=O)C2CCCC2)N2CCN(c3ccccc3)CC2)cc1 22665198 CFGXFEUHAYDEAR-RUZDIDTESA-N 420.601 3.922 10 40 HHCB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1NC(C)=O 223788411 ZGTPOVDPJRNPHT-UHFFFAOYSA-N 424.478 3.685 10 40 HHCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1O 408893309 DRWVBOXZHPXXKY-RIYZIHGNSA-N 414.845 3.728 10 40 HHCB CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1C 686753 CWCZHZOOHUUBNO-CXUHLZMHSA-N 401.919 3.918 10 40 HHCB Cc1nc(CN(C)Cc2ccc(N3CCCC3)cc2)nc2c1CCC(=O)N2CC1CC1 19698058 CCFRFSCEPCMHLA-UHFFFAOYSA-N 419.573 3.706 10 40 HHCB COC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)C1=O 208464831 KTFKYXSCVIPNSV-RQZCQDPDSA-N 400.500 3.836 10 40 HHCB COc1ccc(N2CCO[C@H]2c2cn(Cc3cccc(Br)c3)nn2)cc1 216767749 XSPHXDKJBVUHJO-IBGZPJMESA-N 415.291 3.633 10 40 HHCB COc1ccccc1C1=N/C(=C/c2ccc(C(=O)O)cc2)C(=O)N1c1ccc(O)cc1 408845270 VNXBXKKSCVOCCT-XSFVSMFZSA-N 414.417 3.934 10 40 HHCB O=S(=O)(c1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@H]32)cc1)N1CCOCC1 229920698 MUYWCFYXDHYKRC-KNKQGSTJSA-N 414.502 3.673 10 40 HHCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1/C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O 4209204 FTKFJVSVRJFQAR-PCJMVEANSA-N 422.828 3.728 10 40 HHCB COc1ccc(N(CCC(N)=O)CC(=O)Nc2ccccc2Oc2ccccc2)cc1 22012692 KFWCDEDCLVWWLK-UHFFFAOYSA-N 419.481 3.808 10 40 HHCB Cc1cccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1C 408551161 LSRFCNJLLXRIFV-LCYFTJDESA-N 403.866 3.840 10 40 HHCB CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cccc1OC 408914454 PWKWMMMGPBARIM-VVBXCHJUSA-N 412.417 3.678 10 40 HHCB CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2OCC)C1=O 409243604 TZLQZNHMOQKRIQ-QINSGFPZSA-N 414.845 3.804 10 40 HHCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)ccc1O 33334613 KCIYXBRQZMNVFB-CXUHLZMHSA-N 401.465 3.895 10 40 HHCB CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 41084263 LSCMTIWCIDWQTG-SABKFZPKSA-N 404.499 3.595 10 40 HHCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCCC4)c(C)c3)C2=O)cc1C 408852873 WUQMKITUXZOQIH-ZHZULCJRSA-N 403.482 3.878 10 40 HHCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccn1 409241646 KZPWJCIHUGXLKF-WOJGMQOQSA-N 420.856 3.809 10 40 HHCB Cc1ccc(S(=O)(=O)Nc2ccccc2OCCOCCOCCN=[N+]=[N-])cc1 3844538 PXWHNJRQMXCERF-UHFFFAOYSA-N 420.491 3.518 10 40 HHCB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NC1=NCCS1 5370730 JYZCBPXQUVVGCI-SQFISAMPSA-N 419.597 3.667 10 40 HHCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OC 9188719 FLSBREKMEQMTQN-ATVHPVEESA-N 414.508 3.640 10 40 HHCB Cc1cccc(-n2c(C)cc(C(=O)N3CCOC[C@@H]3C[C@H](O)c3ccco3)c2C)c1 84213251 RIANNMQXOOMHFC-UNMCSNQZSA-N 408.498 3.960 10 40 HHCB