smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)c1 12032492 ILDPPGZFHQGHCE-WOJGMQOQSA-N 385.510 4.726 10 40 GJCB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 218973084 IKUVNXUMIKWATF-VAMGGRTRSA-N 380.532 4.876 10 40 GJCB COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(F)cc3)C2=O)cc1 408759902 NRZSRNKENJFYFE-PXLXIMEGSA-N 386.426 4.977 10 40 GJCB Cc1c(/C=C2/SC(=S)N(C)C2=O)c2ccccc2n1Cc1ccccc1F 409328990 BTXFGKRHIFZYRH-YBFXNURJSA-N 396.512 4.968 10 40 GJCB CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S 2305098 MRIYSLASVGWKTK-MFVBVHDHSA-N 379.547 4.818 10 40 GJCB CCCCOc1ccc(/C=C2/SC(N3CCCCCC3)=NC2=O)cc1OC 2306845 IUYQAPPCQWZJHA-XDJHFCHBSA-N 388.533 4.720 10 40 GJCB CN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2)SC1=S 6379253 MNBKFFYTUSTKHR-YBEGLDIGSA-N 375.902 4.750 10 40 GJCB COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1OC 225663630 FVXLVZFWKMUVGU-MRXNPFEDSA-N 399.560 4.742 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1 1167207 UWIGMOJDTMRMMG-CPNJWEJPSA-N 387.395 4.969 10 40 GJCB CCCCC1(C)OC(=O)C(=Cc2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)O1 4619456 JBWDOUBNEWLAKB-UHFFFAOYSA-N 385.435 4.623 10 40 GJCB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@@H]1/N=N/c1ccccc1C 8385715 WNZJNELWQJJVAW-KGNHYALCSA-N 375.457 4.994 10 40 GJCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2ccccc2)cc1 17078294 WSJJNXPZFFAZED-XLNRJJMWSA-N 383.451 4.832 10 40 GJCB COc1ccccc1Oc1coc2c(CN3CCC[C@H](C)C3)c(O)ccc2c1=O 20390868 KZVGKNAVBHUTEK-HNNXBMFYSA-N 395.455 4.531 10 40 GJCB biogenic CCOc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(C)=C2C(=O)OC)cc1 58883919 NARZCPIPYNAJMA-UNOMPAQXSA-N 397.858 4.616 10 40 GJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C 222871583 HTRUQBBZEUGSBY-FGZHOGPDSA-N 390.556 4.872 10 40 GJCB CC1CCN(C2=NC(=O)/C(=C/c3cccc(OCc4ccccc4)c3)S2)CC1 9188869 BWNJTSLLFBOUDG-QNGOZBTKSA-N 392.524 4.968 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)O)c2C)o1 408900934 AGEVIUXGFABPRO-DEDYPNTBSA-N 386.407 4.759 10 40 GJCB CCN1/C(=C/c2sc3cc4c(cc3[n+]2CC)OCO4)Sc2ccccc21 685944668 ZNZDPHIBYXGPSF-UHFFFAOYSA-N 383.518 4.868 10 40 GJCB N=C1/C(=C/c2ccc(F)cc2)C(=O)N=C2SC(CCC3CCCCC3)=NN12 5162563 MOFWLZZUJXZQKM-DXGGMCDASA-N 384.480 4.805 10 40 GJCB Cc1nn(-c2ccc(Cl)cc2)c(O)c1/N=N/c1ccc(N2CCOCC2)cc1 6177560 HPKAXVQIWMGCBV-GHVJWSGMSA-N 397.866 4.792 10 40 GJCB Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@H]2c1cccnc1 102907277 MSENSSDQASDNBY-RXVVDRJESA-N 377.831 4.683 10 40 GJCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NC1CCCCCC1 103917791 LNUAOQHIAOYFMW-HKWRFOASSA-N 384.480 4.684 10 40 GJCB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(Cl)c1 409058036 RVIUDHFVRPASEM-PTNGSMBKSA-N 388.250 4.871 10 40 GJCB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccccc2Cl)cc1 4541587 QYOYYWKPJFYNDS-UHFFFAOYSA-N 382.847 4.543 10 40 GJCB O=C(CSCc1cccc(Cl)c1)NCc1ccc(N2CCCCC2)cc1 10113082 PICPETJTGDUIMW-UHFFFAOYSA-N 388.964 4.880 10 40 GJCB COc1ccc(/N=N/c2ccc(N)cc2N)cc1/N=N\c1ccc(N)cc1N 104213491 GYSUSQZGUOGDNB-DYORGOFNSA-N 376.424 4.855 10 40 GJCB COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1C 223260766 VRRBJORVROOIQG-UHFFFAOYSA-N 394.905 4.581 10 40 GJCB CCN(CC)c1ccc(CNC(=O)CSCc2ccc(Cl)cc2F)cc1 223434928 FARUKMFSQOCXBT-UHFFFAOYSA-N 394.943 4.875 10 40 GJCB COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccccc3)C2=O)cc1OC 408767433 XNQLMQRPUPJFCB-RCCKNPSSSA-N 398.462 4.847 10 40 GJCB COc1ccc(N(CC(=O)Nc2cccc(Cl)c2Cl)C(C)C)cc1F 69445227 HYAHHOKOXVCAKM-UHFFFAOYSA-N 385.266 4.995 10 40 GJCB C/C(NCCc1ccccc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 17081690 QNFMSSNXTBHFTI-NKFKGCMQSA-N 399.469 4.683 10 40 GJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 222899251 AXNYWNGVXLODJR-LEWJYISDSA-N 376.529 4.563 10 40 GJCB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 6950485 GKXXLJVBDKWXLL-TYILLQQXSA-N 384.819 4.861 10 40 GJCB COc1ccc(-c2c(C)oc3c(CN4CCCC[C@@H]4C)c(O)ccc3c2=O)cc1 20410393 KDXRFPMCEZEUCO-HNNXBMFYSA-N 393.483 4.857 10 40 GJCB biogenic O=C1/C(=C/C=C/c2ccccc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 59483097 CDSQCYFSHHRVLW-QNUVFLEMSA-N 395.418 4.986 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1c[nH]c2ccc(Br)cc12 408967268 UFFPMVPYDHLAKF-SXGWCWSVSA-N 380.245 4.737 10 40 GJCB C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 16733498 GSOBOJUAHQQZFW-JFENUBAZSA-N 397.496 4.934 10 40 GJCB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cccc2ccccc12 408986064 LLVZQOLULKPTKN-HMAPJEAMSA-N 399.446 4.726 10 40 GJCB CCOc1c(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cccc1OC 409346048 MVLSXADFAKUGLJ-SFQUDFHCSA-N 385.510 4.808 10 40 GJCB COC(=O)c1ccc([C@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]23)cc1 6179981 PMASITAHIREIJM-QWQRMKEZSA-N 384.819 4.861 10 40 GJCB CN(C)c1ccc(/C=C/c2cc(C(=O)O)c3cc(Br)ccc3n2)cc1 21953757 BOMWVNAYFIBSPG-XVNBXDOJSA-N 397.272 4.932 10 40 GJCB CC[n+]1c(-c2ccc(O)c(O)c2)csc1Nc1cccc(C(F)(F)F)c1 65090466 DJTJLMANSWAFNR-UHFFFAOYSA-O 381.399 4.896 10 40 GJCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 5371885 KRQVMJNOXWWBAJ-NVNXTCNLSA-N 389.885 4.752 10 40 GJCB Cc1ccc(N2N=C(c3ccc(N)cc3)/C(=C/c3c[nH]c4ccccc34)C2=O)cc1 18192810 ZFPBBODNMBSUHG-HMAPJEAMSA-N 392.462 4.893 10 40 GJCB C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(F)cc3F)cc2)C1 225690840 HCHGYKHAZSYUDE-CQSZACIVSA-N 375.488 4.688 10 40 GJCB CCOc1ccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1 260739835 PYEWIKOVTUCHLW-KRWDZBQOSA-N 383.561 4.808 10 40 GJCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1cc(C)c([N+](=O)[O-])cc1C 408529332 HNMWOPRRUKWSKG-YBEGLDIGSA-N 398.850 4.892 10 40 GJCB CCC1=NN2C(=N)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)C(=O)N=C2S1 4575926 QRAVQUFSTFBNLQ-IUUVDYQKSA-N 396.497 4.768 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(SC)cc1 4702335 QOFPAQMHMSSQMG-MOSHPQCFSA-N 393.508 4.903 10 40 GJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1cccc(Br)c1 5518585 DZAJKIGXENCGQH-WOJGMQOQSA-N 384.277 4.784 10 40 GJCB CC(C)(C)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 5551821 JNESUTNNZAQZRV-XNTDXEJSSA-N 388.470 4.855 10 40 GJCB Cc1cc(C=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 5587463 MGFHTHIODQVWQD-UHFFFAOYSA-N 381.344 4.515 10 40 GJCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cccc(Cl)c1C 101615663 CWHZNXJLXZQUES-PDGQHHTCSA-N 384.823 4.665 10 40 GJCB CCOc1c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cccc1OC 409338945 CJGUGDAKYOKFMF-VBKFSLOCSA-N 377.531 4.628 10 40 GJCB COc1ccccc1-c1c(C)oc2c(CN3CCCCCC3)c(O)ccc2c1=O 6920688 CKVGONCYDYPVNK-UHFFFAOYSA-N 393.483 4.859 10 40 GJCB biogenic CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 16102021 RQPGUTJHOSKRKH-ZSOIEALJSA-N 376.199 4.708 10 40 GJCB COC(=O)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 20704301 DXIQTOOQVNHRSN-FHSNZYRGSA-N 384.819 4.861 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccccc2F)cc1 408756128 TZQDCTILPUSAQG-KGENOOAVSA-N 390.389 4.808 10 40 GJCB Cc1cc([C@H]2NC[C@H](C(=O)O)S2)c(C)n1-c1ccc(-c2ccccc2)cc1 408977839 KEDYCBQSZLRFBX-RTWAWAEBSA-N 378.497 4.549 10 40 GJCB Cc1cccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)n1 409207068 OCWXLRCQYDCZEQ-NTEUORMPSA-N 391.315 4.558 10 40 GJCB CNc1ccccc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C 3441349 HRNIXHGIVMXJOC-UHFFFAOYSA-N 396.874 4.829 10 40 GJCB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccccc1Sc1ccccc1)C(=O)C2=O 4185294 WLWZOZUZEZXMHK-XZOQPEGZSA-N 393.508 4.741 10 40 GJCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 4309551 GPVNEYGIFCJEQU-BXWFABGCSA-N 381.388 4.728 10 40 GJCB Cc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1C 6804330 KPEMJSQKVVYQJX-UHFFFAOYSA-N 392.499 4.570 10 40 GJCB Cc1oc2c(CN3CCC(C)CC3)c(O)ccc2c(=O)c1-c1ccc(F)cc1 57312220 KZVNXJKTEIBLAL-UHFFFAOYSA-N 381.447 4.845 10 40 GJCB CN(C)c1ccc(/C=C/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1 409130187 KPEPSEAMMKPEOH-JJJRJKGESA-N 392.524 4.978 10 40 GJCB CC(C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 4704794 FLVYRLAKLKZFTO-NVNXTCNLSA-N 391.832 4.743 10 40 GJCB CCc1ccc(N2C(=O)/C(=C/c3cc(OC)ccc3OC)SC2=S)cc1 5371374 OVRJSMJADIYJJX-PDGQHHTCSA-N 385.510 4.672 10 40 GJCB Cc1ccc2[nH]cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2c1 32109387 UJZVCAOWKUIAMJ-HJTUMBPSSA-N 384.464 4.781 10 40 GJCB CCCOc1ccccc1/C=C1\SC(=S)N(c2ccc(OC)cc2)C1=O 408605079 WTANELHCBUOECI-AQTBWJFISA-N 385.510 4.890 10 40 GJCB O=C1S/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(F)cc1 106690106 MEAVTTUWTYNTLA-UYRXBGFRSA-N 382.460 4.662 10 40 GJCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 225803156 RSWAUWVIHNOJOM-GOSISDBHSA-N 382.548 4.914 10 40 GJCB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(N3CCCCC3)cc2F)S1 260778441 RPDFQMPIONQKCM-GQWLDOHISA-N 396.535 4.800 10 40 GJCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccnc1Sc1ccccc1 32722619 VPZYGJBTAMFBBI-UHFFFAOYSA-N 377.513 4.571 10 40 GJCB O=C1/C(=C/c2ccccc2Cl)SC(=S)N1c1cccc([N+](=O)[O-])c1 59417981 ROKGDVJUSGWJSU-ZSOIEALJSA-N 376.846 4.654 10 40 GJCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=N)N12 102469389 DZKDFKLYIWZQLJ-VFTZQNCVSA-N 390.512 4.878 10 40 GJCB Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)c1C 222744105 KSMGMRZRWDTYEW-FCHUYYIVSA-N 390.556 4.708 10 40 GJCB CCOC(=O)c1cccc2c1N[C@@H](c1ccc(OC)c(OC)c1)[C@H]1CC=C[C@@H]21 408736627 XWCVLKMXFOOHTP-XFQAVAEZSA-N 379.456 4.707 10 40 GJCB COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(F)cc3)C2=O)cc1 408760025 QCNUBCSLGNDZAN-KGENOOAVSA-N 390.389 4.808 10 40 GJCB O=C1S/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccccc1 1008555 GIVQIRXYODFKAJ-UYRXBGFRSA-N 382.460 4.662 10 40 GJCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1 34772762 PMASITAHIREIJM-DEYYWGMASA-N 384.819 4.861 10 40 GJCB COc1cccc([C@@H]2N(C)c3ccccc3C(=O)N2c2ccccc2Cl)c1O 71817164 JGYNKFQSJRBRGV-OAQYLSRUSA-N 394.858 4.850 10 40 GJCB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccccc1Cl 409002954 XMLQGUNGOZQKMF-VVTMIQRTSA-N 381.859 4.774 10 40 GJCB O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=S)N1c1cccc(F)c1 409340328 VFTMDZPWDRWAFH-PDGQHHTCSA-N 384.501 4.832 10 40 GJCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccccc1OCc1ccccc1Cl 2212585 KNNQSJBEQNPPEZ-UHFFFAOYSA-N 398.842 4.673 10 40 GJCB O=C1NC(=S)S/C1=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12 408528741 FGLGWZPRXSOFJE-MFOYZWKCSA-N 384.913 4.832 10 40 GJCB CC1(C)C[C@@](C)(c2ccc(O)cc2O)N(c2cccc(Cl)c2)C(S)=N1 8690320 CDQHRZRAMWXLIA-IBGZPJMESA-N 376.909 4.941 10 40 GJCB CSc1ccccc1N1C(=O)c2ccc(Oc3ccc(N)cc3)cc2C1=O 32919331 TWQCAPRKSSYKHR-UHFFFAOYSA-N 376.437 4.584 10 40 GJCB O=C1N=C(O)/C(=C\c2c(O)ccc3ccccc23)C(=O)N1c1ccc(Cl)cc1 83327244 BTYHAYKOGYWISP-GZTJUZNOSA-N 392.798 4.706 10 40 GJCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1cc(C)c(C)cc1[N+](=O)[O-] 408526268 AOGNYMLYKHGSLO-YBEGLDIGSA-N 398.850 4.892 10 40 GJCB Cc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc12 5008934 BGCDRFRIYSWZDU-UHFFFAOYSA-N 377.469 4.812 10 40 GJCB O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1C(=O)c1ccccc1F 5514699 WFFJQLREQBZKLA-NTEUORMPSA-N 377.849 4.521 10 40 GJCB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(CC)cc1 14415116 KCNINRBXCPGSMF-XLNRJJMWSA-N 389.495 4.554 10 40 GJCB CN1C(=O)/C(=C/c2oc3ccc(Br)cc3c2Cl)SC1=S 16750542 VWTNZIULIOLIHS-YHYXMXQVSA-N 388.695 4.680 10 40 GJCB CC1(C)[C@@]2(C(=O)Nc3ccccc3Sc3ccccc3)CC[C@@]1(C)C(=O)C2=O 100860023 WLWZOZUZEZXMHK-GOTSBHOMSA-N 393.508 4.741 10 40 GJCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C(=N)N12 103604831 UVUUTJKHJZETKA-KUOUREISSA-N 376.485 4.570 10 40 GJCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2ncccc2C)cc1 103922132 NHSPWNNMKQCHLF-FXBPSFAMSA-N 398.466 4.536 10 40 GJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1 222826669 KLEXGXRMMZIADJ-FCHUYYIVSA-N 390.556 4.870 10 40 GJCB COCCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S 4791682 HLXJWQWUINFVRN-LFIBNONCSA-N 393.917 4.838 10 40 GJCB O[C@@]1(c2ccc(C3CCCCC3)cc2)CN(c2ccccc2)C2=[N+]1CCCS2 27526197 NQTNJLRDPRSEDK-XMMPIXPASA-N 393.576 4.905 10 40 GJCB CC(=O)[C@@H](/N=N\c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl 104325545 QTSNFLIDNYOATQ-MSVBSMQLSA-N 395.202 4.582 10 40 GJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(=O)O)N2 409159359 ZKQRSWXPQQAGFH-SOZUMNATSA-N 383.831 4.651 10 40 GJCB N=C1/C(=C/c2cccc3ccccc23)C(=O)N=C2SC(c3cccs3)=NN12 4672917 JRCGFTUGHKFEIL-WSYITQDSSA-N 388.477 4.569 10 40 GJCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)C1 260466241 JRAKZVQEXSSXMO-FEJLMNCJSA-N 392.499 4.542 10 40 GJCB COc1cccc2c1O[C@H](c1ccc(C)o1)N1N=C(c3ccccc3O)C[C@@H]21 10215857 WGQAQINZRNBPFZ-HTAPYJJXSA-N 376.412 4.545 10 40 GJCB Cc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccsc2)c1 239611694 FAUDGJUSQSZCOA-RXVVDRJESA-N 396.899 5.658 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccccc2OC)cc1 408848705 XVPABGSZSVMQLL-XMHGGMMESA-N 390.464 4.600 10 40 GJCB COc1ccc(-n2cnc3cc(NCc4cccc(OC)c4OC)ccc32)cc1 862246 DGGFGNOCHBWENN-UHFFFAOYSA-N 389.455 4.663 10 40 GJCB CN(C)c1ccc(N2C(=O)/C(=C/c3c(F)cccc3Cl)SC2=S)cc1 1416423 YODILJITDKDCHN-YBEGLDIGSA-N 392.908 4.951 10 40 GJCB CCOc1ccc(NC(=O)C(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 6781017 GUSAIAIQDYMVTJ-UHFFFAOYSA-N 376.456 4.623 10 40 GJCB Cc1cc(CO)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 34772818 PVWIWEFTNQCCEI-UHFFFAOYSA-N 386.289 4.928 10 40 GJCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)cc3)N21 260788333 YYKZZKGHDLHOPF-QMMLZNLJSA-N 378.545 4.661 10 40 GJCB Cc1cccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccccc2)c1 408751643 AXJJGVDKCFINHM-DEDYPNTBSA-N 382.419 4.558 10 40 GJCB O=C1/C(=C\c2ccc(N3CCCCC3)o2)C(C(F)(F)F)=NN1c1ccccc1 408963601 HNHYRJHZQWDUJY-SSZFMOIBSA-N 389.377 4.618 10 40 GJCB CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1F 60588618 VLNLAWDEOPCDJZ-GOSISDBHSA-N 375.875 4.592 10 40 GJCB CCOc1cc(/C=C2/SC(Nc3cccc(Cl)c3C)=NC2=O)ccc1O 6959998 OZVYZLMIFCZDGN-LICLKQGHSA-N 388.876 4.835 10 40 GJCB COc1ccc(OC)c(/C=C2/SC(=S)N(c3cccc(C)c3C)C2=O)c1 16666299 NLIVITSAHAYXHA-WOJGMQOQSA-N 385.510 4.726 10 40 GJCB COc1ccc([C@H]2CC(c3ccccc3O)=NN2C(=O)c2ccc(C)cc2)cc1 5252450 ITENUEVJUQVNBK-JOCHJYFZSA-N 386.451 4.701 10 40 GJCB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(N2CCCCC2)cc1 219025917 ZJTKCAQTBDWMMW-LJQANCHMSA-N 388.511 4.914 10 40 GJCB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 1439297 CYBLCGWUHVMXIL-BBTUJRGHSA-N 379.481 4.706 10 40 GJCB Oc1c([C@H](c2ccccc2)N2CCN(c3ccccc3)CC2)ccc2cccnc12 19898708 ZPQFOQOPYUYODL-VWLOTQADSA-N 395.506 4.852 10 40 GJCB Cc1cccnc1N[C@@H](c1cccnc1)c1cc(Cl)c2cccnc2c1O 46085508 WEGIIIJERGFKDD-SFHVURJKSA-N 376.847 4.894 10 40 GJCB CCOc1ccccc1/C=C1\C(=O)N(CCC2=CCCCC2)C(C)=C1C(=O)OC 409051122 AFXAQGVYBQOEIN-SILNSSARSA-N 395.499 4.648 10 40 GJCB Cc1cc(C(=O)OCC(=O)c2ccc(OC(F)F)cc2)c(C)n1-c1ccccc1 7777442 YAEMAHALMSHEGY-UHFFFAOYSA-N 399.393 4.735 10 40 GJCB CCn1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=S)N=C2O)c2ccccc21 33334145 RDALPBQHLOEHKY-PDGQHHTCSA-N 389.480 4.641 10 40 GJCB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(OCC(C)C)cc2)SC1=S 409197512 HLSNHAKHRZSPTG-WQRHYEAKSA-N 386.542 4.677 10 40 GJCB COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OC(F)F 409354663 AWHSPPQVDKAMNV-XNTDXEJSSA-N 399.484 4.831 10 40 GJCB CN1/C(=C\C=C2\SC(=S)N(c3cccnc3)C2=O)C(C)(C)c2ccccc21 5446942 JFMHWBAMAGEWAS-VJTUXUFQSA-N 393.537 4.642 10 40 GJCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cccc(Cl)c1 59959351 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CC1CCN(c2ccc([C@H](C)NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)CC1 217894897 NVJYKJTXVGPURF-VRQAPCGNSA-N 393.487 4.722 10 40 GJCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 222782641 DBQXHWQQJZLYEU-YADHBBJMSA-N 390.556 4.790 10 40 GJCB Cc1cc(/C=C2\NC(=S)N(C)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 409140516 FDUUECWWZHQPEB-STZFKDTASA-N 393.556 4.829 10 40 GJCB COc1ccc(OC)c(/C=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)c1 5371387 SHPHPVWYHMEMLF-WQRHYEAKSA-N 385.510 4.726 10 40 GJCB CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 5374287 AUIOBBVVLDGCNX-PWCLXXAVSA-N 395.933 4.510 10 40 GJCB CC(=O)Nc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1 13685626 BLCNYZLQCIQLMM-VCHYOVAHSA-N 393.493 4.532 10 40 GJCB CC(C)c1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1 4341270 ABQYZQUTXYVRDW-GZTJUZNOSA-N 383.494 4.914 10 40 GJCB CC(=O)Nc1c(C)ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)c1C 4708582 QPXKNASRDNJGFG-UHFFFAOYSA-N 398.462 4.648 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccccc1 59435722 BHARDRDHZIZDEE-GDNBJRDFSA-N 388.250 4.871 10 40 GJCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1ncoc1C(C)C 95457500 YNUPPMUDPQFWDT-UHFFFAOYSA-N 385.489 4.745 10 40 GJCB Oc1ccccc1C1=NN2[C@H](c3ccccn3)Oc3ccc(Cl)cc3[C@H]2C1 102907284 MYCVCSHANFGYPJ-NQIIRXRSSA-N 377.831 4.683 10 40 GJCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C 222772196 LHAMQZZLCZRELJ-RTWAWAEBSA-N 392.572 4.706 10 40 GJCB COc1ccccc1/C=C1/SC(=S)N(CNc2cccc(Cl)c2)C1=O 408721436 HUNKOXLURXXEAL-CXUHLZMHSA-N 390.917 4.619 10 40 GJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1cc([N+](=O)[O-])ccc1Cl 100931012 CWTABOWQMNNIJN-NTEUORMPSA-N 391.214 4.620 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OC)c1 408894522 QZLLQFYZXAEVRU-UYRXBGFRSA-N 397.858 4.616 10 40 GJCB O=C1/C(=C\c2ccccc2)SC(=S)N1c1ccc(Br)cc1 1416318 WGOLRMPDMGBKMM-GXDHUFHOSA-N 376.300 4.855 10 40 GJCB CC1=CC(=Cc2sc3ccc4ccccc4c3[n+]2C)C=C(C)N1CCCO 5500601 KSIRUEXNUZPOID-UHFFFAOYSA-N 377.533 4.768 10 40 GJCB CC(=O)[C@H](/N=N\c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl 104325539 QTSNFLIDNYOATQ-ANNUQZOISA-N 395.202 4.582 10 40 GJCB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c1 225695812 OMOXHQHDMYRLPE-INIZCTEOSA-N 397.544 4.511 10 40 GJCB CCCN1C(=O)/C(=C\c2ccc(OCC(C)C)c(OCC)c2)SC1=S 409345170 KCRURHHBZBHISC-GZTJUZNOSA-N 379.547 4.731 10 40 GJCB CC(=O)CCc1ccc(OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 3350519 FJAIBUSQVGUKGZ-UHFFFAOYSA-N 375.468 4.877 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OC)cc1 15163122 UKWAVKMZMYXVGS-STZFKDTASA-N 391.467 4.579 10 40 GJCB CCN(CC)c1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1 409008434 YLMVXIBRHPQEQC-SILNSSARSA-N 380.513 4.812 10 40 GJCB Cc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N2C)c(C)n1C1CC1 409148534 QJYRSKGUSSXCHY-WQRHYEAKSA-N 385.920 4.698 10 40 GJCB CCOc1ccc(/C=C2/SC(Nc3cccc(C)c3C)=NC2=O)cc1OC 1248836 WJCWUSXPCPCTLZ-XDHOZWIPSA-N 382.485 4.793 10 40 GJCB CCC1=NN2C(=N)/C(=C\c3ccc(-c4ccccc4Cl)o3)C(=O)N=C2S1 3864200 GXWXGSADKOQDDW-GPBTZJJPSA-N 384.848 4.629 10 40 GJCB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\SC(=S)N(CC)C2=O)cc1OC 19723332 LMYXNMVIIFONAT-AHEVQNHNSA-N 385.938 4.747 10 40 GJCB CN(CCNC(=S)Nc1ccc(Br)c(Cl)c1)c1ccccc1 225571207 CPFIXYDRWMKYKI-UHFFFAOYSA-N 398.757 4.525 10 40 GJCB COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)c1 15008353 OQXVVTYQVLFEEA-WOJGMQOQSA-N 385.510 4.726 10 40 GJCB Cc1ccc2ccc([C@H](Nc3ccc(Cl)cn3)c3cccnc3)c(O)c2n1 46085454 QMAIKXRUUCOFEM-LJQANCHMSA-N 376.847 4.894 10 40 GJCB Cc1ccc(OCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)cc1C 19798084 VLTWDUJKWLEMNF-UYRXBGFRSA-N 399.537 4.592 10 40 GJCB O=C(NCCCO)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 104373989 BNABGFBMPARYEP-UHFFFAOYSA-N 396.450 4.593 10 40 GJCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)COc3ccc(Cl)cc3)cc2)C1 260466513 TYGJUSUVILYXLX-IRXDYDNUSA-N 386.923 4.833 10 40 GJCB Cc1cc(C(=O)COC(=O)c2ccco2)c(C)n1-c1cccc(C(F)(F)F)c1 6235897 JDKUTXBHSSUIEU-UHFFFAOYSA-N 391.345 4.746 10 40 GJCB Cc1cc(C(=O)CN2C[C@H](C)O[C@H](C)C2)c(C)n1-c1ccc(Cl)c(Cl)c1 12377627 YEEXQKXSAIXISH-OKILXGFUSA-N 395.330 4.693 10 40 GJCB CC(=O)Oc1ccccc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O 41108530 VCAVFOFFPZLITD-SXGWCWSVSA-N 389.885 4.671 10 40 GJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(Br)cc1 100024980 KQFVEOPVRIHXDO-MHWRWJLKSA-N 390.668 4.821 10 40 GJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(O)c(Cl)c3)SC2=S)cc1 409340340 VMLLVPRBWDCXGE-MHWRWJLKSA-N 391.901 4.850 10 40 GJCB CC(/C=C1\SC(=S)N([C@H](C(=O)O)c2ccccc2)C1=O)=C\c1ccccc1 4158671 BPNJKEMCBOUUAM-WYAGSHODSA-N 395.505 4.660 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 5025777 XSCFFLYOZHVJQI-DEDYPNTBSA-N 387.395 4.969 10 40 GJCB O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1cccc(F)c1 113830550 UUHNLOWGQRCJQQ-VGOFMYFVSA-N 394.836 4.793 10 40 GJCB COc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219502143 JDZULWSARDUKLS-RTBURBONSA-N 396.531 4.576 10 40 GJCB COc1ccccc1C1=N/C(=C/c2ccco2)C(=O)N1c1ccc(Cl)cc1 408846702 YPPLEAAWELNDLI-QGOAFFKASA-N 378.815 4.776 10 40 GJCB Cc1cccc(C)c1OC[C@H](O)CN(Cc1ccccc1O)C1CCCCC1 6082959 OEVWPQYNFDZFOL-JOCHJYFZSA-N 383.532 4.584 10 40 GJCB CCCCN1C(=O)/C(=C\c2cccc(OCC)c2OCCC)SC1=S 7738027 VMFXZKJECNRMBY-DTQAZKPQSA-N 379.547 4.875 10 40 GJCB Cc1ccc(C)n1-c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 72216757 NWWDXEBTXWJYNA-NRFANRHFSA-N 375.472 4.963 10 40 GJCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3F)N21 222676974 XPWBYIODJRXRNA-GQWLDOHISA-N 396.535 4.800 10 40 GJCB COc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 217966626 MHYYGDWDKCOQSE-QHSLDKKCSA-N 378.516 4.822 10 40 GJCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccccc1 409017598 MTDICUIPITWROT-IUXPMGMMSA-N 388.250 4.871 10 40 GJCB O=C(O)CCCCCN1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 54153075 KICZOQGSUNYFDJ-GFCQZRJLSA-N 395.933 4.656 10 40 GJCB Oc1ccccc1[C@H](c1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1 95944187 LSJYFIPTWRSYDP-DEOSSOPVSA-N 392.930 4.953 10 40 GJCB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 223675208 XSKUKDPVHLVKLI-UHFFFAOYSA-N 399.899 4.989 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1sccc1C 408770172 UHJGCROYYUAUFO-WJDWOHSUSA-N 387.888 4.977 10 40 GJCB CC1CCN(c2ccc([C@H](C)NC(=S)Nc3ccc4c(c3)OCO4)cc2)CC1 225654836 XITCSNHMOJEFIL-INIZCTEOSA-N 397.544 4.699 10 40 GJCB COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c(OC)c1 225663460 OALXCEWCIJUQOH-INIZCTEOSA-N 399.560 4.742 10 40 GJCB Cc1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c(C)c1 260613050 CMMNCZAQVSNPCX-AZUAARDMSA-N 380.532 4.796 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1sccc1C 408896359 YCKJFFULNYIOFM-AQTBWJFISA-N 397.496 4.723 10 40 GJCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1O 409078888 DRFBYEFWDZLQFS-HKWRFOASSA-N 384.435 4.625 10 40 GJCB CCOc1cc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1O 1450803 PRJHJWBVKPFISB-RNEAKCBISA-N 385.510 4.753 10 40 GJCB Cc1[nH]c(=N)sc1/N=N/c1cc(Br)ccc1Br 16953698 ICNVAUGTTYRUNQ-FOCLMDBBSA-N 376.077 4.804 10 40 GJCB COc1cccc2c1O[C@@H](c1ccc(C)o1)N1N=C(c3ccccc3O)C[C@H]21 102907442 WGQAQINZRNBPFZ-VGSWGCGISA-N 376.412 4.545 10 40 GJCB CCOc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2F)cc1 408755501 QMHHCZVVTQRTEH-XSFVSMFZSA-N 376.387 4.652 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1F 408766657 DFBYSTBMSDZXJT-UYRXBGFRSA-N 379.431 4.710 10 40 GJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C)c(OC)c3)SC2=S)cc1 409338410 JLUUGIKBWOXYJH-LDADJPATSA-N 385.510 4.808 10 40 GJCB Cc1cccc(N2C(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c1 59459803 PQDHBNQOVPOCTR-DHDCSXOGSA-N 390.873 4.962 10 40 GJCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(=N)N12 102446467 SQQKSPXLTOUNPW-KUOUREISSA-N 376.485 4.570 10 40 GJCB CN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2F)SC1=S 6178513 PVRDAUPRHYIHSR-CXUHLZMHSA-N 393.892 4.889 10 40 GJCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2c(F)cccc2Cl)S1 54164403 PUWJWECEABAZRF-NVNXTCNLSA-N 390.823 4.568 10 40 GJCB Cc1ccc(N(C)CCNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225796639 XOQSBYUPTGAENT-UHFFFAOYSA-N 383.561 4.739 10 40 GJCB O=C1/C(=C\c2ccc(F)c(Br)c2)SC(=S)N1c1ccccc1 409346674 NYSJUUUXKUPQOP-NTEUORMPSA-N 394.290 4.994 10 40 GJCB Cc1cc(C(=O)COc2ccc3ccc(=O)oc3c2)c(C)n1-c1ccccc1F 3299990 HTLGWPOKUKVWPB-UHFFFAOYSA-N 391.398 4.601 10 40 GJCB CCOc1ccc(C2=C/C(=C\c3cccn3-c3ccccc3F)C(=O)O2)cc1 408754729 HKBHYMNXXSSBAZ-SAPNQHFASA-N 375.399 4.996 10 40 GJCB Cc1ccc(NC(=O)Cn2c(CCC(=O)O)ccc2-c2ccccc2)cc1Cl 6301473 JGTYROZYHOVUNP-UHFFFAOYSA-N 396.874 4.773 10 40 GJCB COc1cccc2c1O[C@@H](c1ccc(C)o1)N1N=C(c3ccccc3O)C[C@@H]21 10215862 WGQAQINZRNBPFZ-JTSKRJEESA-N 376.412 4.545 10 40 GJCB Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O 15008563 DWFKWTIEQKAJFK-GIJQJNRQSA-N 394.477 4.611 10 40 GJCB COc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3cccc(C)c3)C2=O)cc1 408760826 AFHVUJGJDFHTRE-XQNSMLJCSA-N 398.462 4.847 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(Cl)c1 408891841 COCINPJGPFSKED-UNOMPAQXSA-N 381.859 4.834 10 40 GJCB O=S(=O)(O)c1cc(/N=N/c2cccc3ccccc23)c(O)c2ncccc12 3954432 GTBQEEPPEWJTGD-QURGRASLSA-N 379.397 4.756 10 40 GJCB in-vitro CN1C(=O)/C(=C/c2cccc(OCc3ccccc3Cl)c2)SC1=S 4672003 MSWXYDVAGKOUQQ-YBEGLDIGSA-N 375.902 4.750 10 40 GJCB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCCCC3)c(F)c2)S1 222607783 KLPIOOAPLGQPGF-JHVJFLLYSA-N 396.535 4.800 10 40 GJCB CCOc1ccc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(C)=C2C(=O)OC)cc1 408995611 BNJCAUGKFQEJPJ-NOEYKIMYSA-N 391.467 4.519 10 40 GJCB O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1cccc(Br)c1 1011292 RVSHNUDYYIKAQB-RIYZIHGNSA-N 392.299 4.561 10 40 GJCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 2488522 IKLGKAYKRLAFHQ-WHSLLNHNSA-N 394.427 4.607 10 40 GJCB CCn1cc(/C=C2/C(=O)N(c3ccccc3C)C(=S)N=C2O)c2ccccc21 5100834 ONLQFJFHTDPHBC-SFQUDFHCSA-N 389.480 4.641 10 40 GJCB Cc1cccc(NC2=NC(=O)/C(=C/c3cn(CC#N)c4ccccc34)S2)c1C 6256718 SAFVFCAVVYMCTN-NDENLUEZSA-N 386.480 4.864 10 40 GJCB COc1cc2c(cc1NCC(=O)Nc1cccc(C(C)=O)c1)oc1ccccc12 11619181 OMBAEYXCRLYRAJ-UHFFFAOYSA-N 388.423 4.848 10 40 GJCB Cc1ccc(O)c(C2=NN3[C@H](c4cccnc4)Oc4ccc(Cl)cc4[C@H]3C2)c1 102907333 VOEHNIYCICPPPJ-KNQAVFIVSA-N 391.858 4.991 10 40 GJCB C/C(Nc1ncccc1C)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 103920768 TXZIUTJKZAWUAG-SILNSSARSA-N 386.430 4.666 10 40 GJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cc(OC)ccc1OC 112124651 BJCUTQJVGVKKPJ-STZFKDTASA-N 397.450 4.732 10 40 GJCB Cc1cc(N2CCCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 260786523 XYVUGQRFUALDNR-MAODMQOUSA-N 378.545 4.580 10 40 GJCB CCCOc1ccc(Cl)cc1/C=C1/C(=O)N(C(=O)c2ccccc2)N=C1C 408936572 GRPHUWMPRFUBEN-QGOAFFKASA-N 382.847 4.571 10 40 GJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(CC)cc3)C(C(=O)OC)=C2C)cc1 409062233 QIOUTBDETUPKHS-QNGOZBTKSA-N 391.467 4.525 10 40 GJCB CCCC(=O)N[C@H](c1ccc(OC)cc1)c1cc(Cl)c2cccnc2c1O 801085 RVDHGGKEOWVTGO-LJQANCHMSA-N 384.863 4.608 10 40 GJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1C(=O)O 5373395 YETISZMTROEPDS-NVNXTCNLSA-N 389.885 4.752 10 40 GJCB CCCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 6804322 KBJLPYNGXUDUOX-UHFFFAOYSA-N 392.499 4.977 10 40 GJCB COc1ccc2c(c1)CCCN2C[C@@H](O)COc1ccc(-c2ccccc2)cc1 12528540 FQOGLKMUHOHXMX-JOCHJYFZSA-N 389.495 4.555 10 40 GJCB Cc1cc(N2CCCCC2)ccc1CNCC1(c2cccc(F)c2)CCOCC1 141528142 VDTQASGVXNELGO-UHFFFAOYSA-N 396.550 4.962 10 40 GJCB CC1=NN(c2ccccc2C)C(=O)/C1=C/c1c(C)nn(Cc2ccccc2)c1C 409000359 XXHUPURJYFQCAP-HYARGMPZSA-N 384.483 4.663 10 40 GJCB O=C1NC(=S)S/C1=C/c1cc(Br)c(Sc2ccccc2)o1 409001779 KJKGFUSXHLHMAN-YRNVUSSQSA-N 398.328 4.682 10 40 GJCB Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1cccnc1 6721647 JBHKJBUTZBUJDZ-RXVVDRJESA-N 377.831 4.683 10 40 GJCB CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C/C=C/c1ccc([N+](=O)[O-])cc1 17719622 ZVLRRPQGJPIJSP-FIQDDSDUSA-N 375.428 4.983 10 40 GJCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(Cn2cncn2)cc1 32885577 KVEANXNUBUUROK-CYYJNZCTSA-N 382.427 4.994 10 40 GJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1c(C)nn(Cc2ccccc2)c1C 408997869 OQKUCBWOZHJLTF-ZVHZXABRSA-N 398.510 4.971 10 40 GJCB COc1ccc2c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c[nH]c2c1 9419791 CVUISSPRWAYCLB-GIJQJNRQSA-N 380.494 4.578 10 40 GJCB CCN1/C(=C2\SC(=S)N(CCc3ccccc3)C2=O)C=Cc2ccccc21 13161912 ZALIHOWCSGNPMY-VXPUYCOJSA-N 392.549 4.854 10 40 GJCB CC(=O)[C@](Cc1ccccc1)(/N=N\c1ccccc1)S(=O)(=O)c1ccccc1 104375131 AWRQNLJDWIPANV-PDWGEAQMSA-N 392.480 4.772 10 40 GJCB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260466298 MUEQJKPAKGNPMZ-READLGFQSA-N 378.516 4.822 10 40 GJCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C 260769277 LHAMQZZLCZRELJ-LEWJYISDSA-N 392.572 4.706 10 40 GJCB CN1C(=O)/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)SC1=S 5798115 MLWASJMNUKLFCK-CPNJWEJPSA-N 394.521 4.551 10 40 GJCB COc1ccc(-c2cnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)cc1 7423661 VCNWLRNKFHQBBQ-UHFFFAOYSA-N 395.528 4.950 10 40 GJCB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(Cl)cc1 409021375 DWJYEXVPSBKFDN-UNOMPAQXSA-N 381.859 4.834 10 40 GJCB COc1cccc(/C=C2/SC(=S)N(c3ccccc3Cl)C2=O)c1OC 1261294 NFYKRFGJZFTJGK-XNTDXEJSSA-N 391.901 4.763 10 40 GJCB O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCC1 4575038 JXOIIPFRFQUXMS-JQVVWYNYSA-N 389.455 4.657 10 40 GJCB Cc1ccc(/C=C2/C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)cc1 5188624 FLGDCAFNJKQVQA-OXMFYWCOSA-N 394.887 4.510 10 40 GJCB CN(C)c1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 205687484 SXJSLXMWJHKURX-RQZCQDPDSA-N 390.867 4.782 10 40 GJCB CCc1cccc2c(/C=C3\SC(=S)N(n4c(C)ccc4C)C3=O)c[nH]c12 409194449 CAHSTFWXTMMKTO-YVLHZVERSA-N 381.526 4.686 10 40 GJCB O=C1/C(=C/c2cc3ccccc3oc2=O)SC(=S)N1c1cccc(Cl)c1 409338458 KJOHJAWDTUMFLI-SXGWCWSVSA-N 399.880 4.852 10 40 GJCB COc1cc([C@H]2SC(C)=Nc3c2c(C)nn3Cc2ccccc2)cc(O)c1O 72405386 PLWYKNVLMODMTA-HXUWFJFHSA-N 395.484 4.546 10 40 GJCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1c[nH]c2ccccc12 409031515 GZBBTBFWTFZBKU-IZZDOVSWSA-N 391.299 4.670 10 40 GJCB CCN(CC)c1ccc(/C=C2\N=C(c3cc(Cl)ccc3OC)OC2=O)cc1 1160553 COGHZZUFFLNGRO-PDGQHHTCSA-N 384.863 4.539 10 40 GJCB COc1ccc(OC)c(/C=C2/SC(Nc3cccc4ccccc34)=NC2=O)c1 7275072 IYVCHLISUDCKEN-DEDYPNTBSA-N 390.464 4.939 10 40 GJCB CCN(CCNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(OC)cc1 224982039 KTLKKKVDEWFGGZ-UHFFFAOYSA-N 388.511 4.547 10 40 GJCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 408893326 MEGLZTUSQXYYJV-GDNBJRDFSA-N 388.250 4.871 10 40 GJCB O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=S)N1Cc1ccccc1 409333522 SONCLGPTIXISFE-RGEXLXHISA-N 380.538 4.688 10 40 GJCB O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCC1 1071908 JXOIIPFRFQUXMS-NNMXDRDESA-N 389.455 4.657 10 40 GJCB COc1ccc(/C=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)c(OC)c1 5371358 AWLVAMHOPUPZNE-ZDLGFXPLSA-N 385.510 4.726 10 40 GJCB COc1ccccc1/C=C1/SC(Nc2ccccc2Br)=NC1=O 2248116 PIPOKGPEFQCFDK-XNTDXEJSSA-N 389.274 4.540 10 40 GJCB CCOc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)ccc1O 12411438 YXONDDWSIXKDTG-RIYZIHGNSA-N 391.254 4.904 10 40 GJCB COc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219502418 BGDBOYFXVSKWRW-QRVBRYPASA-N 396.531 4.576 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccccc2F)cc1 408760848 GMMDKENDRYHJRY-KGENOOAVSA-N 390.389 4.808 10 40 GJCB CN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)SC1=S 1198287 DXKDAFSBCLZXNO-SXGWCWSVSA-N 393.892 4.889 10 40 GJCB Cc1cc(Nc2c3ccccc3nc3ccccc23)ccc1NS(C)(=O)=O 5009006 QFAAQNZAMAEUNY-UHFFFAOYSA-N 377.469 4.812 10 40 GJCB O=C1N=C(Nc2ccccc2C(F)(F)F)S/C1=C\c1ccc2c(c1)OCO2 5551741 WERXTZJFCWRRHH-NVNXTCNLSA-N 392.358 4.517 10 40 GJCB Cc1nnc(CSc2ncc(-c3ccc(F)cc3)n2Cc2ccccc2)o1 9836786 OGVKSSAUMHXIEU-UHFFFAOYSA-N 380.448 4.721 10 40 GJCB O=S(=O)(c1ccc(/N=N/c2ccc(O)c3ccccc23)cc1)N1CCCC1 5739708 NLEBUIWARLVMDY-QURGRASLSA-N 381.457 4.745 10 40 GJCB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1ccc(N(C)C)cc1 7361355 LNKBMPPUQPTNDX-LJQANCHMSA-N 387.527 4.879 10 40 GJCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1cccc2ccccc12 20289374 BKZZYTBHGDGANI-OQKWZONESA-N 399.519 4.632 10 40 GJCB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(N2CCCCC2)cc1 22525742 HJVJBRICWIFHSW-QFIPXVFZSA-N 380.532 4.768 10 40 GJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1c(C)cc(C)cc1[N+](=O)[O-] 100024997 GQJJBZKRMYWFMT-MHWRWJLKSA-N 384.823 4.584 10 40 GJCB CCOC(=O)c1c(C)n(C)c2ccc(O)c(/N=N/c3ccc([N+](=O)[O-])cc3)c12 4817107 MXORHKUVAXSJEG-QZQOTICOSA-N 382.376 4.693 10 40 GJCB CCCCC(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12 4903410 XATDMGFEKQWBEG-QFIPXVFZSA-N 378.428 4.849 10 40 GJCB CCC(CC)C1=NN2C(=N)/C(=C/c3cccc4ccccc34)C(=O)N=C2S1 5529202 ORBRILLNAZNWSM-SABKFZPKSA-N 376.485 4.895 10 40 GJCB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccccc1Cl 3191594 SRQYMBVUSJFGKF-ZROIWOOFSA-N 376.846 4.654 10 40 GJCB COc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(=O)c2ccc(C)cc2)cc1 5252447 ITENUEVJUQVNBK-QFIPXVFZSA-N 386.451 4.701 10 40 GJCB CC(=O)N1N=C(c2cc(Cl)ccc2O)C[C@H]1c1ccc(Br)cc1 6262342 SSANDLNEFUUDLW-INIZCTEOSA-N 393.668 4.506 10 40 GJCB CCOC(=O)/C=C(\C)N1N=C(c2ccc(CC)cc2)C[C@@H]1c1ccccc1O 80325224 YCTYWGPJUZDRST-DGWAXEAPSA-N 378.472 4.573 10 40 GJCB Cc1cc(CNC(=O)c2ccc3nc(Cl)oc3c2)c(C)n1-c1ccccc1 225985966 RRCVPKCMZCFSSB-UHFFFAOYSA-N 379.847 4.819 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2OC)cc1 408840204 CJJLJEWVLAMMLA-LTGZKZEYSA-N 384.435 4.538 10 40 GJCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccco2)cc1 5201073 VTKMGSYJFSCPMA-SFLYRZDNSA-N 396.531 4.634 10 40 GJCB O=C1/C(=C\c2cccc(F)c2)SC(=S)N1C(=O)c1ccccc1Cl 408822129 FLRDSEADCWYQJH-NTEUORMPSA-N 377.849 4.521 10 40 GJCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 12655210 ZXSNNTCOHHBVFN-UHFFFAOYSA-N 398.842 4.673 10 40 GJCB Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(O)c(Cl)c3)C2=O)cc1Cl 34234840 VACFMHSDJXTPRC-SDQBBNPISA-N 391.210 4.514 10 40 GJCB CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(OC)c(Cl)c1)CO3 2112738 POXIFKLNPGACFB-UHFFFAOYSA-N 385.847 4.682 10 40 GJCB biogenic O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1Cl 5717349 SRFCFROYMHWUMA-NTEUORMPSA-N 376.846 4.654 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CC)cc1 409051811 FEKJOYRCXRIFNI-QNGOZBTKSA-N 391.467 4.525 10 40 GJCB CCN(CC)c1ccc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1 6205331 ZHKFRTOVBRYUET-PXLXIMEGSA-N 376.504 4.868 10 40 GJCB CC(C)c1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1 12032577 ABQYZQUTXYVRDW-BOPFTXTBSA-N 383.494 4.914 10 40 GJCB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1 4541624 VLIREVBZKPJPST-UHFFFAOYSA-N 382.847 4.543 10 40 GJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1c(C)cc(C)cc1[N+](=O)[O-] 101346177 XQCLJZZLGFYHMF-YBEGLDIGSA-N 384.823 4.584 10 40 GJCB Oc1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccncc1 102907342 IYHBKSIFFHRMLY-WIYYLYMNSA-N 377.831 4.683 10 40 GJCB C[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 218701666 FTRIVJBPWDFEJQ-KURKYZTESA-N 384.495 4.707 10 40 GJCB O=C1/C(=C\c2coc3ccccc3c2=O)SC(=S)N1c1ccc(Cl)cc1 409379694 ZNLCTPANZAVYIG-CXUHLZMHSA-N 399.880 4.852 10 40 GJCB CC(C)Cn1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c2ccccc21 2313810 IEYLKIHMKIKNLQ-XDHOZWIPSA-N 393.487 4.932 10 40 GJCB Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1-c1cccc(F)c1 6098466 LPAFEDGHYKVWDH-UHFFFAOYSA-N 398.507 4.526 10 40 GJCB COc1cc(O)c(CN2C[C@H](C)C[C@@H](C)C2)c2oc(-c3ccccc3)cc(=O)c12 11865264 QLPKJMOJXSWDEW-HZPDHXFCSA-N 393.483 4.652 10 40 GJCB biogenic O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(Cl)cc1 1046143 YPEURNLHWSXYFB-ZROIWOOFSA-N 376.846 4.654 10 40 GJCB Cc1cc(C(=O)COC(=O)C2CCC2)c(C)n1-c1ccc(Cl)c(Cl)c1 2658976 VPVPHTJHQUHVTG-UHFFFAOYSA-N 380.271 4.927 10 40 GJCB CC[C@H]1CCCCN1Cc1c(O)ccc2oc(C)c(C(=O)NC3CCCC3)c12 5182642 LUOAUFONAUWTNQ-KRWDZBQOSA-N 384.520 4.884 10 40 GJCB CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 5504752 GRRANIMYXHXZFC-CPNJWEJPSA-N 399.537 4.885 10 40 GJCB O=S(=O)(O)c1cc(/N=N\c2cccc3ccccc23)c(O)c2ncccc12 13099128 GTBQEEPPEWJTGD-DQRAZIAOSA-N 379.397 4.756 10 40 GJCB in-vitro CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(Cl)c([N+](=O)[O-])c1 100929769 ZFKUGOIEGCCEFS-ZROIWOOFSA-N 391.214 4.620 10 40 GJCB COc1ccc(C(C)=O)cc1COC(=O)c1cc(C)n(-c2ccccc2)c1C 5622733 WDLCWGPVTSYXGO-UHFFFAOYSA-N 377.440 4.662 10 40 GJCB CCCCCOC(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 5735199 QCGXHZUPOBWUNB-NTCAYCPXSA-N 397.949 4.665 10 40 GJCB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccccc1Cl 6272766 WKPYQXYUAGENGL-JXAWBTAJSA-N 385.891 4.903 10 40 GJCB CCc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 6804338 QXJUVRLGSSSXNX-UHFFFAOYSA-N 392.499 4.516 10 40 GJCB CCCOc1ccccc1/C=C1\C(=O)N(c2ccc(Cl)c(C(=O)O)c2)N=C1C 96193283 GQXNBSWEDYHWIH-WJDWOHSUSA-N 398.846 4.633 10 40 GJCB Cc1ccc(/N=N\c2ccc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)cc2)cc1 109132800 ODICZUIJFXCXPG-FJPHJAKBSA-N 375.428 4.872 10 40 GJCB COc1ccccc1/C=C1/N=C(c2ccc(F)cc2)N(c2ccc(F)cc2)C1=O 408763496 FVZRGWFAGZXXTI-XSFVSMFZSA-N 390.389 4.808 10 40 GJCB COc1cc(Cl)cc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)c1O 6932676 HRYHDIHPHFYPDI-PWJLMRLQSA-N 378.881 4.669 10 40 GJCB COc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 217966815 UKXSKKANGZSLHG-WIGMZFAJSA-N 378.516 4.822 10 40 GJCB COc1ccccc1/C=C1/N=C(c2ccc(F)cc2)N(c2cccc(C)c2)C1=O 408758789 RGHBWIBHSBXJCY-RCCKNPSSSA-N 386.426 4.977 10 40 GJCB Cc1ccc(C)n1N1C(=O)/C(=C\c2cccc(C(F)(F)F)c2)SC1=S 409196983 YYRAJUVTUCGXQD-NTEUORMPSA-N 382.432 4.661 10 40 GJCB Cc1ccsc1/C=C1\SC(N2CCC(Cc3ccccc3)CC2)=NC1=O 13749738 SGIUWYPWOOVRDJ-RGEXLXHISA-N 382.554 4.982 10 40 GJCB Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc(Cl)nc2)c(C)n1-c1ccccc1 32766761 HOCVMRRXTYNMCO-OAHLLOKOSA-N 382.847 4.571 10 40 GJCB CCOc1ccc2nc(N/C=C3\C(=O)N(c4ccc(F)cc4)N=C3C)sc2c1 100552428 HTOUWIYKFUDZHI-WJDWOHSUSA-N 396.447 4.553 10 40 GJCB CCOC(=O)/C=C/c1ccc(N=[N+]([O-])c2ccc(/C=C/C(=O)OCC)cc2)cc1 245238883 CBLCNQSQQWICQM-XNZKKTQVSA-N 394.427 4.765 10 40 GJCB COc1cc2c(cc1NCc1cc(=O)n3c(C)csc3n1)oc1ccccc12 11619397 AVZIKGYSOFFAEG-UHFFFAOYSA-N 391.452 4.585 10 40 GJCB CC(=O)c1ccc(N2C(=O)/C(=C/C3=Cc4ccccc4OC3)SC2=S)cc1 54360779 IGOVZMKSHDZFNR-ODLFYWEKSA-N 393.489 4.614 10 40 GJCB COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OC 113830929 IWQXWVLRHFWMKG-XNTDXEJSSA-N 391.901 4.763 10 40 GJCB CN(C)c1ccc(N2C(=O)/C(=C\c3cn(C)c4ccccc34)SC2=S)cc1 1416689 DEIHSBFDRLPIOK-XDHOZWIPSA-N 393.537 4.650 10 40 GJCB COc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)c(OC)c1 5371898 ZSXLQTDWROLEDN-SXGWCWSVSA-N 391.901 4.763 10 40 GJCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=S)Nc3ccc4c(c3)OCO4)cc2)C1 260732829 BTWSBIAMBGZEBK-HOTGVXAUSA-N 397.544 4.699 10 40 GJCB Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(C(F)(F)F)c1 4052005 IHWJPWMATLWWKN-UHFFFAOYSA-N 379.403 4.875 10 40 GJCB COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)c2cccs2)c1O 4942465 MVISOTDYWOQHJJ-CQSZACIVSA-N 384.482 4.515 10 40 GJCB Cc1oc2ccc(O)c(CN3CCCC[C@@H]3C)c2c1C(=O)NC1CCCCC1 6811153 HEGOQCHHMDGGSG-HNNXBMFYSA-N 384.520 4.884 10 40 GJCB CCOc1cc(/C=C2/SC(=S)N(c3cc(C)ccc3C)C2=O)ccc1O 35040813 ZARXSHGHMCNINB-WOJGMQOQSA-N 385.510 4.814 10 40 GJCB O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 59417980 YYNJCNGAHXLFPK-ZSOIEALJSA-N 376.846 4.654 10 40 GJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/NNc1cccc2ccccc12 101112532 PEYWEOMBTUJZIK-CPNJWEJPSA-N 376.847 4.716 10 40 GJCB COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc(Cl)c1O 409330374 LMOLEKOIGOJONK-VGOFMYFVSA-N 395.864 4.599 10 40 GJCB CCOc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2ccc(C)cc2C)c1C 6781037 BXNIGVPTRPQSFY-UHFFFAOYSA-N 390.483 4.931 10 40 GJCB O=C1N=C(O)/C(=C/Nc2cccc(C(F)(F)F)c2)C(=O)N1C1CCCCCC1 103121544 JJUXUMQDNJTBOP-PTNGSMBKSA-N 395.381 4.643 10 40 GJCB COc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219502259 BGDBOYFXVSKWRW-QYZOEREBSA-N 396.531 4.576 10 40 GJCB Cc1ccc(CN(CCc2ccccc2)Cc2cc3c(cc2O)OCO3)s1 14287199 WREGVOYMNFLGTB-UHFFFAOYSA-N 381.497 4.736 10 40 GJCB COc1ccccc1-c1c(C)oc2c(CN3CCC[C@H](C)C3)c(O)ccc2c1=O 20410409 ZSTKORZWCOWYNF-HNNXBMFYSA-N 393.483 4.715 10 40 GJCB biogenic CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1c(C)nn(-c2ccccc2)c1C 408758263 XUFXYABPCVSSQN-HYARGMPZSA-N 399.498 4.824 10 40 GJCB COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(Cl)c1OC 409349241 VBJWGMMIFVODNG-XNTDXEJSSA-N 397.949 4.891 10 40 GJCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3CC)C2=O)ccc1O 35040796 QTVNOAPPVRUIOD-LDADJPATSA-N 385.510 4.759 10 40 GJCB COC(=O)c1ccccc1-n1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1 408949378 QTTRDQWFSGVEIZ-UHFFFAOYSA-N 383.831 4.602 10 40 GJCB COC[C@H](C)n1c(C)cc(C(=O)CSc2ncc(-c3ccccc3)n2C)c1C 5175190 HYJBNHYFXFGFCT-INIZCTEOSA-N 397.544 4.688 10 40 GJCB CCCn1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N=C2O)c2ccccc21 17249110 AFBGJTPRQPNCEH-QGOAFFKASA-N 395.528 4.851 10 40 GJCB Cc1ccc(NC2=NC(=O)/C(=C/c3cn(CC#N)c4ccccc34)S2)c(C)c1 33662756 ZMIVNKCTAVIPSZ-NDENLUEZSA-N 386.480 4.864 10 40 GJCB COC(=O)c1ccc([C@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1 34772761 PMASITAHIREIJM-SUNYJGFJSA-N 384.819 4.861 10 40 GJCB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(N2CCCCC2)cc1 225740491 XWQYRQQSLBVUCN-IBGZPJMESA-N 392.543 4.639 10 40 GJCB Cc1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1C 260453390 NXTTTYSGVPJMLW-FXAWDEMLSA-N 380.532 4.796 10 40 GJCB CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCC(C)C 409041217 ZTMYLKMANHKATE-ZDLGFXPLSA-N 393.574 4.977 10 40 GJCB CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 4070705 NZMFTAXZEXTGKO-QINSGFPZSA-N 397.949 4.665 10 40 GJCB Cc1ccc2cc(C3=C/C(=C/c4ccc(N5CCOCC5)o4)C(=O)O3)ccc2c1 5602667 MPIQCNMWCYPVQE-ZHZULCJRSA-N 387.435 4.559 10 40 GJCB COc1cc(Cl)cc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)c1O 6930578 HRYHDIHPHFYPDI-VPTHRUTESA-N 378.881 4.669 10 40 GJCB COc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1C 223500632 GDXLBGBJKTYZBK-LJQANCHMSA-N 380.532 4.804 10 40 GJCB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 5223012 NBRNQIKEXOIQEA-GHVJWSGMSA-N 379.441 4.758 10 40 GJCB CC[C@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(O)c(CN2CCN(C)CC2)c1 19366908 ORAVMMPYPPCELG-RPWUZVMVSA-N 396.575 4.836 10 40 GJCB CC1CCN(c2ccc([C@@H](C)NC(=O)COc3ccc(Cl)cc3)cc2)CC1 217831375 DKFLEXQRZBPMNE-QGZVFWFLSA-N 386.923 4.833 10 40 GJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(Cl)cc1 222739910 RFDLMHGOMACYPO-WOJBJXKFSA-N 396.947 4.745 10 40 GJCB Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1 222828858 SAOLZWPDBHSBGK-FQEVSTJZSA-N 380.532 4.796 10 40 GJCB COc1ccc(CC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C 224290860 YMNJBYKHUPHWOI-IEBWSBKVSA-N 380.532 4.660 10 40 GJCB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(Cc4ccccc4)c3C)C2=O)c1 409241787 YPGQEUVVKTZJNA-OEAKJJBVSA-N 399.494 4.555 10 40 GJCB COc1ccccc1N1C(=O)/C(=C/c2c(C)n(C)c3ccccc23)SC1=S 409345414 LVFYJHNJQVCTFL-UNOMPAQXSA-N 394.521 4.901 10 40 GJCB CCc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 5372239 HBCBJQSHHPQCTQ-RGEXLXHISA-N 383.538 4.702 10 40 GJCB Oc1ccc2cc(Br)ccc2c1CN(Cc1ccncc1)C1CC1 7317793 PXLBUHQIVNYFCQ-UHFFFAOYSA-N 383.289 4.868 10 40 GJCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(F)c3)N21 222676698 BOOFUGNAHNOUQS-TYCQWZJGSA-N 396.535 4.800 10 40 GJCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C 222782319 YQEJXTXVQXTNCP-VXKWHMMOSA-N 390.556 4.790 10 40 GJCB COc1cc(Cl)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC 408902772 RFUKTSUIPJIZHF-CXUHLZMHSA-N 391.901 4.763 10 40 GJCB C[C@H]1Cc2cc(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)ccc2O1 5419550 WHJXWLVCNUSNND-GJYIUCAPSA-N 381.522 4.972 10 40 GJCB COc1ccc(/C=C2/SC(Nc3ccccc3C(F)(F)F)=NC2=O)cc1 7275361 BJIJCMWIWCJNJI-XNTDXEJSSA-N 378.375 4.796 10 40 GJCB COc1ccc(Br)cc1/C=C1\C(=O)N(c2ccc(C)c(C)c2)N=C1C 16948906 WPTJGNQPAZJAAC-WQRHYEAKSA-N 399.288 4.881 10 40 GJCB COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN=[N+]=[N-])cc1 141984836 BOFGYYNVPGMZQM-OAQYLSRUSA-N 385.427 4.836 10 40 GJCB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260453305 ISBKFVHLBGJRJX-XUVXKRRUSA-N 380.532 4.876 10 40 GJCB COc1ccccc1/C=C1/N=C(c2ccc(C)cc2)N(c2ccc(O)cc2)C1=O 408763994 VJFDGCAAPYBSPM-RCCKNPSSSA-N 384.435 4.544 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(OC)cc1 409022439 NWFHSEPARDQWQB-WQRHYEAKSA-N 397.858 4.534 10 40 GJCB C/C(NCC(C)C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 9059552 ZRVXQDOOPBGMDJ-CYVLTUHYSA-N 390.512 4.567 10 40 GJCB Oc1c(Cl)cc(Cl)cc1[C@H]1CC(c2ccc(Br)cc2)=NN1 15227266 IKFYAJAEWMYKIV-CQSZACIVSA-N 386.076 4.900 10 40 GJCB Cc1ccc(/C=C2/SC(Nc3cccc(Cl)c3C)=NC2=O)cc1[N+](=O)[O-] 33321516 YLVYPYAOQFXXQJ-CXUHLZMHSA-N 387.848 4.947 10 40 GJCB Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] 260466295 MDIWJXGAOBCWGU-RDJZCZTQSA-N 381.476 4.631 10 40 GJCB Cc1cc(C)cc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccccc4)C3=O)c2C)c1 409016561 DPHKLZFKTVEOAX-HYARGMPZSA-N 385.467 4.808 10 40 GJCB Cc1cccc(NC(=S)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 6329583 HBCKVBXHTUFBSJ-UHFFFAOYSA-N 384.383 4.544 10 40 GJCB CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1 35041425 OODWRLUMEWSGBX-LDADJPATSA-N 383.494 4.694 10 40 GJCB CCN(CC)S(=O)(=O)c1cccc(/N=N/c2cc(O)cc3ccccc23)c1 100846338 ASVWKZLOGHOXBO-QURGRASLSA-N 383.473 4.991 10 40 GJCB Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O 8276015 IVOGUHJJNOLZIT-LICLKQGHSA-N 395.465 4.790 10 40 GJCB Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)c1 222744250 WOYCRHPAYNOLON-FGZHOGPDSA-N 390.556 4.708 10 40 GJCB Cc1cc(O[C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)ccc1Cl 222851278 CXONWBLJUNXXKS-KRWDZBQOSA-N 386.923 4.722 10 40 GJCB COc1ccc(C2=N/C(=C/c3cccc(OC)c3)C(=O)N2c2ccccc2)cc1 408761149 CIRRKFSKDULACL-CJLVFECKSA-N 384.435 4.538 10 40 GJCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)C1=O 409244128 YDSULTNGVDCILV-DEDYPNTBSA-N 398.528 4.784 10 40 GJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 5371399 SCRDGWQLJRFBBZ-PDGQHHTCSA-N 385.510 4.672 10 40 GJCB CCOc1ccc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C)cc1OCC 15931033 PREBWCQBZNZJME-VBKFSLOCSA-N 384.863 4.944 10 40 GJCB CCn1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=S)N=C2O)c2ccccc21 33561610 WQIFZZMYUWGTIJ-PDGQHHTCSA-N 389.480 4.641 10 40 GJCB Oc1ccccc1C1=NN2[C@H](c3ccncc3)Oc3ccc(Cl)cc3[C@H]2C1 102907275 KMGMZDOWWQGNPC-NQIIRXRSSA-N 377.831 4.683 10 40 GJCB Cc1ccc2ccc([C@@H](Nc3ccc(Cl)cn3)c3ccccn3)c(O)c2n1 46085448 VFHGQGSFHIWFFF-HXUWFJFHSA-N 376.847 4.894 10 40 GJCB CCc1cc2c(C)cc(=O)oc2c(CN(C)Cc2nc3ccccc3s2)c1O 57794250 VYFFNTCFGQYKHG-UHFFFAOYSA-N 394.496 4.611 10 40 GJCB CCO[C@]1(c2ccccc2)C[C@@H](c2ccccc2)C2(O1)C(=O)c1ccccc1C2=O 863737 INKRWDBAPNARHJ-WIOPSUGQSA-N 398.458 4.898 10 40 GJCB CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1 1236388 OXBUGQDRUPBVEK-AQTBWJFISA-N 384.526 4.644 10 40 GJCB CC1(c2ccccc2)OC(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)C(=O)O1 1074006 HLZOLMQXLPMDKY-UHFFFAOYSA-N 394.810 4.956 10 40 GJCB CN(C1=NC(=O)/C(=C/c2cccc(Cl)c2Cl)S1)c1ccc(O)cc1 6606223 TWUVRAZKHLCVTB-ZROIWOOFSA-N 379.268 4.806 10 40 GJCB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1cccc(C)c1 6815706 KHOGRNRQHWYCML-BOPFTXTBSA-N 384.277 4.784 10 40 GJCB Cc1ccc(CN2C(=O)/C(=C/c3ccc(O)c(Cl)c3)SC2=S)cc1 16292260 ZKPPNMPFYIWKBY-SXGWCWSVSA-N 375.902 4.755 10 40 GJCB COc1cc2c(cc1OC)/C(=C/C(=S)Nc1cccc(Cl)c1C)NCC2 101368131 JFOOQRGEOWOPMN-BOPFTXTBSA-N 388.920 4.592 10 40 GJCB Cc1c([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc(N2CCCC2)c1C 260783990 UQAIIJIHOZQLHK-UJUVCNOISA-N 392.572 4.888 10 40 GJCB Cc1cc(-c2ccc(/C=C3\SC(=S)N(C)C3=O)o2)ccc1Br 409132387 OIMZURFCCLAWRF-ZSOIEALJSA-N 394.315 4.849 10 40 GJCB Cc1ccc(OCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)cc1C 4548866 OMAYJBYYAMQOIS-UYRXBGFRSA-N 399.537 4.592 10 40 GJCB CCOc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C 6781045 STAIKBSJSMRROI-UHFFFAOYSA-N 396.874 4.968 10 40 GJCB CCc1ccc(CN(Cc2cccnc2)C(=O)/C=C/c2ccc(N(C)C)cc2)cc1 7735770 VXBPUBKFXCDIER-DTQAZKPQSA-N 399.538 4.952 10 40 GJCB O=C1/C(=C/c2ccccc2F)N=C(c2ccccc2F)N1c1ccc(O)cc1 13941776 XHCVEUVZRGAEGQ-MOSHPQCFSA-N 376.362 4.505 10 40 GJCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1cccc(C)c1 26680984 RQCOOQGKTBRYAD-UNOMPAQXSA-N 399.537 4.804 10 40 GJCB Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1[N+](=O)[O-] 218131532 SRQYDZNMFIGXKS-QGZVFWFLSA-N 381.476 4.631 10 40 GJCB Cc1cc(OCC(=O)NCc2ccc(N3CCCCC3)cc2)cc(C)c1Cl 218923132 QQBJOGMMPCDRCU-UHFFFAOYSA-N 386.923 4.642 10 40 GJCB CCN(CC)c1ccc(CNC(=O)CSCc2cccc(Cl)c2)cc1 222671208 DLJVZUNFYONSLK-UHFFFAOYSA-N 376.953 4.736 10 40 GJCB COC(=O)c1cccc2c1N[C@@H](c1ccc(OC3CSC3)cc1)[C@H]1CC=C[C@@H]21 408736531 XOKNFVZJOLVLIX-LQWHRVPQSA-N 393.508 4.794 10 40 GJCB CCN(C)c1ccc(CNCc2ccccc2OCc2cccnc2)cc1F 78823193 VVMLIIXOHBGNCP-UHFFFAOYSA-N 379.479 4.546 10 40 GJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1Cl 100922783 FGIOXGLZPNIWKO-ZROIWOOFSA-N 391.214 4.620 10 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4.726 10 40 GJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccccc1Cl 101114289 KHDNZOQBUAMUSH-GXDHUFHOSA-N 390.668 4.821 10 40 GJCB Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccccn1 102907348 KEAVQKQEZPAXGU-GHTZIAJQSA-N 377.831 4.683 10 40 GJCB CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(N(C)C)cc2)cc1 714123 JMDIDHKUZPYSAD-QHCPKHFHSA-N 387.483 4.922 10 40 GJCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@H]3C=CC[C@@H]32)cc1 38568659 QYZDSMOCENWUBF-DEYYWGMASA-N 383.831 4.651 10 40 GJCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cccc2ccccc12 2302509 GRYFBIWZAWBFGS-JCMHNJIXSA-N 383.447 4.713 10 40 GJCB Cc1ccc(C)c(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 218951747 PFZHRDANHMJVCB-UYAOXDASSA-N 380.532 4.796 10 40 GJCB Cc1c([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc(N2CCCC2)c1C 222594680 UQAIIJIHOZQLHK-RXYZOABWSA-N 392.572 4.888 10 40 GJCB COc1ccc(CC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1C 260800825 YMNJBYKHUPHWOI-HKUYNNGSSA-N 380.532 4.660 10 40 GJCB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1c(F)cccc1Cl 408999718 VOEPTBVPJXFWMS-VLURKWGBSA-N 399.849 4.913 10 40 GJCB Cc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(C4CCCCC4)C3=O)c2C)cc1 409084604 VSOIAUAUGIMGFW-STZFKDTASA-N 377.488 4.628 10 40 GJCB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1ccc2nc(C)[nH]c2c1 5336361 XTMMZHZXHRZASG-UYRXBGFRSA-N 381.439 4.743 10 40 GJCB COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc(Cl)c1OC 5477057 HNSJZKKTFXGRCL-OVCLIPMQSA-N 391.254 4.817 10 40 GJCB Cc1cc(C(=O)OCc2nnc(-c3cccs3)o2)c(C)n1-c1ccccc1 6831434 RNRSSXQAPRKEFN-UHFFFAOYSA-N 379.441 4.563 10 40 GJCB COc1cc(/C=C2/SC(Nc3ccc4ccccc4c3)=NC2=O)ccc1O 7274971 OCZRUGAJYIDLIR-YBFXNURJSA-N 376.437 4.636 10 40 GJCB CC[C@H](c1ccc(O)c(CN2CCOCC2)c1)[C@@H](CC)c1ccc(OC)cc1 31923575 CJCLOJYYXSFFKS-XZOQPEGZSA-N 383.532 4.920 10 40 GJCB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N3CCCCC3)c(F)c2)S1 222607913 KLPIOOAPLGQPGF-RVHYNSKXSA-N 396.535 4.800 10 40 GJCB COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3cccc(C)c3)C2=O)cc1 408753156 DVXHPBPTDSIIHY-PXLXIMEGSA-N 386.426 4.977 10 40 GJCB COc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1C 409031797 BGCMXKJYSIORFQ-YRNVUSSQSA-N 396.315 4.505 10 40 GJCB O=C(CSc1ncc(-c2ccccc2)n1Cc1ccccc1)N1CCCCC1 44086258 UPEVSFJBGGOTMR-UHFFFAOYSA-N 391.540 4.703 10 40 GJCB O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccc(F)cc2)N1c1ccc(F)cc1 408753470 IZMMQUVSZJXCQC-DEDYPNTBSA-N 378.353 4.938 10 40 GJCB CCOC(=O)C(=O)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 408973939 CTZOVKAWCXJHFB-UHFFFAOYSA-N 395.418 4.591 10 40 GJCB C[C@H](c1nc2ccccc2s1)N(C)C(=O)NCc1ccc2c(c1)CCCN2C 57661836 MDYZDHMZGVIOGX-OAHLLOKOSA-N 394.544 4.581 10 40 GJCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NC2CCCCC2)cc1 17079519 CPXKJDNXXRJJNX-XLNRJJMWSA-N 389.499 4.642 10 40 GJCB CC(C)n1nc(O)c2c(-c3cccs3)c3oc4c(O)c(O)ccc4c3nc21 95479274 YDJNMJNDJGTAJA-UHFFFAOYSA-N 381.413 4.757 10 40 GJCB CCCCCOC(=O)CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 2364426 QCGXHZUPOBWUNB-QINSGFPZSA-N 397.949 4.665 10 40 GJCB O=C1/C(=C/c2ccccc2Br)SC(=S)N1c1cccc(F)c1 5172448 PQBMYDOECUQWRY-ZSOIEALJSA-N 394.290 4.994 10 40 GJCB COc1ccc2nc(N/C=C3/C(=O)N(c4ccc(Cl)cc4)N=C3C)sc2c1 101122312 ARKJSAMSHBMGRO-XNTDXEJSSA-N 398.875 4.677 10 40 GJCB Nc1ccc(/N=N\c2cccc3c(/N=N/c4ccc(N)nc4N)cccc23)c(N)n1 104231108 BKITVKZRQCDHKO-JOKXDOCYSA-N 398.434 4.789 10 40 GJCB Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@@H]2c1cccnc1 6721635 MSENSSDQASDNBY-GHTZIAJQSA-N 377.831 4.683 10 40 GJCB Cc1ccc(COc2cccc(/C=C3\SC(N4CCCC4)=NC3=O)c2)cc1 9188844 ZBJSKMQRIJSLOY-ZHZULCJRSA-N 378.497 4.640 10 40 GJCB Cc1ccc(S(=O)(=O)Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)cc1 20897069 WUJZHQNWSQMWNH-UHFFFAOYSA-N 394.452 4.618 10 40 GJCB Oc1ccccc1C1=NN2[C@H](c3cccnc3)Oc3ccc(Cl)cc3[C@H]2C1 102907279 MSENSSDQASDNBY-NQIIRXRSSA-N 377.831 4.683 10 40 GJCB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cccc(Cl)c1 408770368 WQGVEDMTCQVXEK-QIQQCEGHSA-N 381.859 4.774 10 40 GJCB COc1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc1O 409338996 CYWUFXFVHPTDPA-CXUHLZMHSA-N 389.523 4.529 10 40 GJCB O=C1/C(=C\c2ccc[nH]2)SC(=S)N1c1ccc(Br)c(Cl)c1 409342480 FICZFLWIMLKGTB-WUXMJOGZSA-N 399.722 4.836 10 40 GJCB COc1ccccc1NC[C@H](O)CN1c2ccccc2Sc2ccccc21 5738956 QWZZIUFVZBVLIB-INIZCTEOSA-N 378.497 4.771 10 40 GJCB Cc1ccc(OCCn2cc(/C=C3\SC(=S)NC3=O)c3ccccc32)cc1 13943294 CQVINTVFCZCNIW-UNOMPAQXSA-N 394.521 4.518 10 40 GJCB Cc1ccc(/N=N\c2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)cc2)cc1 109132795 ODICZUIJFXCXPG-ABNJKUTHSA-N 375.428 4.872 10 40 GJCB COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 225654317 BHUQQBRRWBBJAW-QGZVFWFLSA-N 383.561 4.979 10 40 GJCB COc1ccc(C2=C/C(=C\c3ccc(-c4ccccc4C(=O)O)o3)C(=O)O2)cc1 408744103 WRMIENKFYTYQRQ-NTCAYCPXSA-N 388.375 4.635 10 40 GJCB CCOc1ccc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(C)=C2C(=O)OC)cc1 408995609 BNJCAUGKFQEJPJ-KQRQPNSISA-N 391.467 4.519 10 40 GJCB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3Cl)c2C)SC1=S 5174384 QZGXBJMMYJRLSD-MHWRWJLKSA-N 376.934 4.969 10 40 GJCB C[C@@](CCCCN=[N+]=[N-])(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 675038128 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O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1c1ccc(F)c(Cl)c1 13228185 JSQYESRKLTXKPC-ZSOIEALJSA-N 389.864 4.761 10 40 GJCB CCc1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 35041373 HBCBJQSHHPQCTQ-XMHGGMMESA-N 383.538 4.702 10 40 GJCB CCc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 35041392 WNQZFSZAZGUZSM-WOJGMQOQSA-N 385.510 4.672 10 40 GJCB COc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 218751102 YFBSMINBLPQVAH-QRVBRYPASA-N 396.531 4.576 10 40 GJCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(F)c3)N21 222676883 BOOFUGNAHNOUQS-ZLGUVYLKSA-N 396.535 4.800 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2)cc1 408767671 ZSNPQCWKAIUAEG-HAVVHWLPSA-N 397.478 4.596 10 40 GJCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 408996267 CSKGBRVQDWCHNK-QNGOZBTKSA-N 389.495 4.857 10 40 GJCB COc1ccc(OC)c(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)c1 4550981 KWYMJSLDBPWJMP-LTGZKZEYSA-N 384.435 4.538 10 40 GJCB O=[P@@](c1ccccc1)([C@H](c1ccccc1O)N1CCCCC1)N1CCCCC1 6340959 VXUMUJVFHPVKKH-LXFBAYGMSA-N 398.487 4.966 10 40 GJCB C[C@@H]1Cc2cc(/C=C3\C(=O)N(c4ccccc4)N=C3c3ccccc3)ccc2O1 10299332 NYFWEPWPFRVMBG-VULIGXMUSA-N 380.447 4.845 10 40 GJCB CCc1ccccc1N1C(=O)/C(=C/c2cccc(OC)c2OC)SC1=S 5371336 YBLXKVPGUAOIHB-ATVHPVEESA-N 385.510 4.672 10 40 GJCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3ncccc3C)C2=O)cc1 103920764 NYESVZBGBLOYCZ-FXBPSFAMSA-N 398.466 4.536 10 40 GJCB Nc1c(Br)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O 4830825 BMIJUARACLJZMP-UHFFFAOYSA-N 393.240 4.550 10 40 GJCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S 5552009 PTKDAJJFIOCIMX-WISAJEAXSA-N 385.510 4.684 10 40 GJCB CCOc1ccc(NC(=O)C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 6781033 CUEVUGFMEOPZKO-UHFFFAOYSA-N 390.483 4.931 10 40 GJCB O=C1c2ccccc2N[C@@H](c2cc(Cl)ccc2O)N1c1ccc2c(c1)OCO2 7885100 JKPKFZXQKGXVFI-HXUWFJFHSA-N 394.814 4.545 10 40 GJCB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(-n2c(C)ccc2C)cc1 58850504 CTGNMMLYZXPANM-UHFFFAOYSA-N 390.892 4.557 10 40 GJCB CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 222865956 JJIRPJIWGOVXKA-XXBNENTESA-N 380.532 4.958 10 40 GJCB COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccccc3)C2=O)cc1OC 408764202 LPXPOTNKBGMIKT-HMMYKYKNSA-N 384.435 4.538 10 40 GJCB COc1ccc([C@@H]2Nc3c(Cl)cc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc1OC 408871117 YDUJXLNUFBGQII-TYILLQQXSA-N 385.847 4.882 10 40 GJCB Cc1cccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3Cl)SC2=S)c1 409329924 IVNDLBOBTFKVQN-OQLLNIDSSA-N 390.873 4.962 10 40 GJCB COc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)c(OC)c1 15008350 LOOZYHREACRICV-VCHYOVAHSA-N 385.510 4.726 10 40 GJCB Oc1ccc(Cl)cc1[C@H](Nc1ccccn1)c1ccc2cccnc2c1O 36245359 NLTGNERBKOJUKG-HXUWFJFHSA-N 377.831 4.896 10 40 GJCB Cc1cccc(N[C@@H](c2cccnc2)c2cc(Cl)c3cccnc3c2O)n1 45944561 ZJJIHNSLPQUSGC-IBGZPJMESA-N 376.847 4.894 10 40 GJCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 222988009 IRPJSSMYAINECO-VXKWHMMOSA-N 390.556 4.953 10 40 GJCB O=[P@](c1ccccc1)([C@@H](c1ccccc1O)N1CCCCC1)N1CCCCC1 6340944 VXUMUJVFHPVKKH-NEKDWFFYSA-N 398.487 4.966 10 40 GJCB Oc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccnc2)cc1 10215405 RSMMAABWFWTLQW-PZJWPPBQSA-N 377.831 4.683 10 40 GJCB O=C1/C(=C\c2ccco2)N=C(c2ccc(Br)cc2)N1c1ccccc1 59229236 XXUCMPMXRGPBIC-QGOAFFKASA-N 393.240 4.877 10 40 GJCB CN(C)c1ccc(/C=C/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1 1005861 CUFIIVGILXVJMX-CRVGVPJFSA-N 378.497 4.588 10 40 GJCB COc1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 1091439 SEWSRQDSFIVLRM-JWGURIENSA-N 384.435 4.538 10 40 GJCB COC(=O)c1sc2nc(-c3ccc(OC)cc3)cc(-c3ccco3)c2c1N 4335389 FFHVMBPHTAYYFS-UHFFFAOYSA-N 380.425 4.601 10 40 GJCB CCCCOc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 5119333 MSHNMRSHJGINMZ-UHFFFAOYSA-N 399.446 4.893 10 40 GJCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1S(=O)(=O)O 5515384 RXDIJLJNKGSLAS-QURGRASLSA-N 381.413 4.601 10 40 GJCB COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC 12371167 PWUAGYCEUXVQGG-YBEGLDIGSA-N 391.901 4.763 10 40 GJCB COc1cccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)c1OC 15008358 DQSULMZRUVPAOM-GZTJUZNOSA-N 385.510 4.726 10 40 GJCB CCOc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 15008453 BLGVZMGIHFHULL-QGOAFFKASA-N 384.526 4.557 10 40 GJCB Cc1cc(N2CCCC2)c(F)cc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222589575 TZLQGSPUUHLXKQ-RVHYNSKXSA-N 396.535 4.719 10 40 GJCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(F)c2)c1C 222783913 IBNXTAZHFMRHLO-SFTDATJTSA-N 394.519 4.621 10 40 GJCB CC1(C)CC(=O)c2cc(-c3ccccc3)n(-c3ccc(O)c(C(=O)O)c3)c2C1 408720773 CYPXNKRKFVXGMD-UHFFFAOYSA-N 375.424 4.703 10 40 GJCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1c(C)nn(Cc2ccccc2)c1C 409001365 PKIBEVHMAHFVCR-OEAKJJBVSA-N 384.483 4.663 10 40 GJCB CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 1138753 FAYALEOOHOCRDV-JQVVWYNYSA-N 391.471 4.903 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)c(OC)c1 20226880 LYTLKHCLRHTFJN-GIJQJNRQSA-N 396.493 4.591 10 40 GJCB CCN(CC)c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)c1 222563510 VPMZQZFYZVJLTR-ZLGUVYLKSA-N 380.561 4.826 10 40 GJCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccccc1C(F)(F)F 408770292 VSAQICQFSYBYAX-VBKFSLOCSA-N 393.405 4.711 10 40 GJCB O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(Cl)cc1 1046142 YPEURNLHWSXYFB-NTEUORMPSA-N 376.846 4.654 10 40 GJCB COc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)c(OC)c1 1241413 LOOZYHREACRICV-ZDLGFXPLSA-N 385.510 4.726 10 40 GJCB CCC(/C=C1\Sc2ccc(OC)cc2N1CC)=C1\SC(=S)N(C)C1=O 16157376 HCPCQDJNMAIKJV-HEKJOVTRSA-N 392.571 4.623 10 40 GJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1nc2ccc(C)cc2s1 101114268 DKNGKAITLQFWST-XNTDXEJSSA-N 382.876 4.977 10 40 GJCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cccnc1 103917480 QUFGAQWFXWWSGL-AQTBWJFISA-N 377.473 4.580 10 40 GJCB CCN1/C(=C2\SC(=S)N(Cc3ccccc3)C2=O)C=Cc2ccccc21 2072490 YFTLMFFPUPJAFS-HNENSFHCSA-N 378.522 4.812 10 40 GJCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3c(F)cccc3Cl)S2)cc1 5373260 CBUGYAJBLINKGQ-SXGWCWSVSA-N 389.839 4.520 10 40 GJCB O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccccc2)N1c1ccc(F)cc1 408841473 JHQOMSMFCYJQSE-XMHGGMMESA-N 387.370 4.568 10 40 GJCB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(N3CCCCC3)cc2)S1 260781088 SLVQHVWLHPGQKV-MAODMQOUSA-N 378.545 4.661 10 40 GJCB CCOC(=O)c1cccc2c1N[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 408736059 CLQYAJGABFRNBT-SIFCLUCFSA-N 394.427 4.607 10 40 GJCB CSc1cccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)c1 409342768 CKBJVBOHMBSHQV-OQLLNIDSSA-N 388.495 4.723 10 40 GJCB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCC[C@H](C)C2)c1O 2277996 HFRVLQCUWFIUKP-ZDUSSCGKSA-N 398.528 4.725 10 40 GJCB CCN1C(=O)/C(=C/c2ccccc2OCCCOc2ccccc2)SC1=S 2840188 XXYBBAARFGVNFT-CYVLTUHYSA-N 399.537 4.756 10 40 GJCB COc1ccc(N2CCO[C@@H]2c2ccn(-c3cccc(Br)c3)c2)cc1 216726994 VJKSZTBFEFMGRU-HXUWFJFHSA-N 399.288 4.784 10 40 GJCB Cc1cc(N2CCCC2)c(F)cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 260781591 TZLQGSPUUHLXKQ-GQWLDOHISA-N 396.535 4.719 10 40 GJCB COc1ccccc1N1C(=O)/C(=C/c2ccccc2OC(C)C)SC1=S 409332790 RFWZSACBDBSUJO-PDGQHHTCSA-N 385.510 4.888 10 40 GJCB O=C1NC(=S)S/C1=C/c1ccccc1OCc1ccc2ccccc2c1 409333615 UUXMAZOVXALWBJ-XDHOZWIPSA-N 377.490 4.908 10 40 GJCB CN(C)c1ccc(CN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 12554238 FVYMMFHZUODDPY-DEOSSOPVSA-N 383.495 4.948 10 40 GJCB COc1cccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(F)cc3)C2=O)c1 408759754 LALRSNDJPOCRJQ-KGENOOAVSA-N 390.389 4.808 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 408902481 OICFZXILPWKOSK-HYARGMPZSA-N 399.450 4.598 10 40 GJCB CCc1ccc2oc(-c3cc(NS(=O)(=O)c4ccccc4)ccc3O)nc2c1 8991566 WGIBSXXVUQISQG-UHFFFAOYSA-N 394.452 4.564 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(C)cc1 59959227 PADDHWCPPZKXIR-STZFKDTASA-N 375.468 4.996 10 40 GJCB O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1C1CCCCC1 113830514 ADACETLUONBSMI-NTEUORMPSA-N 382.894 4.782 10 40 GJCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccccc1Cl 408986095 LPOFSYNFZVMKQO-YBEGLDIGSA-N 388.250 4.871 10 40 GJCB CCOc1cc(Cl)c(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OC 409034180 MREDZEGWJPFUBZ-CHHVJCJISA-N 385.938 4.605 10 40 GJCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C)n3C3CC3)c2C)cc1F 6993389 HPMBKVQYWMVIMS-UHFFFAOYSA-N 398.507 4.751 10 40 GJCB CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OC 60510626 KJOFNXJISNMLJN-ATVHPVEESA-N 377.531 4.628 10 40 GJCB Cc1cccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1C 222821103 NHRURVODYMLPDD-XLIONFOSSA-N 380.532 4.796 10 40 GJCB CC[C@H](c1ccc(OC)cc1)[C@H](CC)c1ccc(O)c(CN2CCN(C)CC2)c1 19366910 ORAVMMPYPPCELG-DNQXCXABSA-N 396.575 4.836 10 40 GJCB Cc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccnc2)c1 6721695 VOEHNIYCICPPPJ-SIKLNZKXSA-N 391.858 4.991 10 40 GJCB O=C1/C(=C/c2ccccc2Br)SC(=S)N1C1CCCCC1 9187957 NQHNBWLYWTVULT-UVTDQMKNSA-N 382.348 4.983 10 40 GJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 12376657 BICQKZHJYRTAFS-PTNGSMBKSA-N 399.233 4.715 10 40 GJCB Cc1cccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)c1 408756218 OQUDJHYLDNBASQ-HAVVHWLPSA-N 381.479 4.896 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(SC)cc1 408893256 LOCCAWSOMPCMGF-UYRXBGFRSA-N 379.481 4.594 10 40 GJCB CSc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc1 4524469 DBLQZSFXVCRUNY-DHDCSXOGSA-N 386.860 4.566 10 40 GJCB CCN(CC)Cc1c(O)ccc2c(=O)c(-c3nc4ccccc4s3)coc12 20191867 QNUDGWBYBGYEGA-UHFFFAOYSA-N 380.469 4.617 10 40 GJCB biogenic CCN(CC)c1ccc(CN(C(=O)c2ccc(F)cc2)c2ccccn2)cc1 28292166 ITUIQFICZSTJKC-UHFFFAOYSA-N 377.463 4.914 10 40 GJCB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(N(CC)CC)cc1 223186426 OSQMVISYOKZSCS-OAQYLSRUSA-N 388.939 4.968 10 40 GJCB CCOc1ccccc1/C=C1\C(=O)N(c2ccccc2Cl)C(C)=C1C(=O)OC 409056160 MXCJKNCUFAFYJB-SSZFMOIBSA-N 397.858 4.616 10 40 GJCB CC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)cc1 7423336 XATQMJBUVTTZQQ-UHFFFAOYSA-N 399.903 4.674 10 40 GJCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1O 211635540 WJUJUAJAPOEWJP-XNTDXEJSSA-N 391.901 4.850 10 40 GJCB COc1ccc(C2=C/C(=C\c3c(Cl)cccc3Cl)C(=O)O2)c(OC)c1 408723612 XXHVSQPMFVEELJ-DHZHZOJOSA-N 377.223 4.992 10 40 GJCB Cc1cccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)n1 409349031 UEPKRJHKJRYBCT-NTEUORMPSA-N 391.315 4.558 10 40 GJCB O=C1Nc2ccccc2/C1=C\c1cn(CC(=O)N2CCCCCC2)c2ccccc12 3646588 OWYKXVVHROGULV-RCCKNPSSSA-N 399.494 4.537 10 40 GJCB CC(C)c1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1 4341278 ALIUKMAFEXWNLD-LICLKQGHSA-N 383.494 4.914 10 40 GJCB CCOc1ccc(O)c([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)c1 58366526 OUMSCOYCXNSBAK-HSZRJFAPSA-N 388.467 4.866 10 40 GJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1cccc(Br)c1 101150137 HWWJZUWEYNOQHO-MHWRWJLKSA-N 390.668 4.821 10 40 GJCB CSc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 113830607 SDOBMFNOUJUILU-XNTDXEJSSA-N 388.495 4.723 10 40 GJCB COc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccc(C)cc3)C2=O)cc1 408763845 KRCNKSMDGICOQC-XQNSMLJCSA-N 398.462 4.847 10 40 GJCB COc1ccccc1-n1cnc2cc(NCc3cccc(OC)c3OC)ccc21 1097765 GMKAVLSLSWZDGK-UHFFFAOYSA-N 389.455 4.663 10 40 GJCB Cc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1 4150621 RVLNJCRTZGCUEY-HDUSIBQMSA-N 390.512 4.994 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3ccc(OC(F)F)cc3)SC2=S)cc1 4931927 DOEMHHPWXLWTHL-XNTDXEJSSA-N 393.436 4.702 10 40 GJCB COc1ccc(NC2=NC(=O)/C(=C/C(C)=C/c3ccccc3)S2)c(OC)c1 5551463 OPSORNWPMYCRPB-JKLBGJETSA-N 380.469 4.733 10 40 GJCB Cc1c(C)c2ccc(O)c(CNc3ccc(CN4CCCCC4)cc3)c2oc1=O 6672049 HJVKCYZAMZQHJR-UHFFFAOYSA-N 392.499 4.713 10 40 GJCB COc1cc(O)c(CN2C[C@@H](C)C[C@@H](C)C2)c2oc(-c3ccccc3)cc(=O)c12 11865266 QLPKJMOJXSWDEW-IYBDPMFKSA-N 393.483 4.652 10 40 GJCB biogenic C[C@H](NC(=O)COc1cccc2c1CCCC2)c1ccc(N2CCCCC2)cc1 225008383 MNTWWGMAMMDLSK-IBGZPJMESA-N 392.543 4.812 10 40 GJCB COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)cc1Cl 225694725 ABANBXCTXLCPFK-CQSZACIVSA-N 389.952 4.996 10 40 GJCB CCn1cc(/C=C2\C(=O)N(c3cc(C)ccc3C)C(=O)N=C2O)c2ccccc21 1295109 LRPLWHGAIIZYKD-PDGQHHTCSA-N 387.439 4.785 10 40 GJCB C[C@H]1CN(C2=NC(=O)/C(=C/c3cccc(Oc4ccccc4)c3)S2)C[C@H](C)O1 4826696 IKCSQSMFDFZPHP-ALVQJFKWSA-N 394.496 4.558 10 40 GJCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(F)c2)c1C 222784098 IBNXTAZHFMRHLO-NHCUHLMSSA-N 394.519 4.621 10 40 GJCB Cc1cc(C)c(O)c(CNCCCCCCNCc2cc(C)cc(C)c2O)c1 1718687 UVIIKTJVIBKCLR-UHFFFAOYSA-N 384.564 4.771 10 40 GJCB CCc1ccccc1Nc1nc(C)c(C(=O)NCc2ccc(N(C)C)cc2)s1 71326573 VNINSXXEUYWFMZ-UHFFFAOYSA-N 394.544 4.754 10 40 GJCB CCN1/C(=C2/SC(=S)N(c3ccc(F)cc3)C2=O)Sc2ccccc21 102144302 LFNQYPFAFJBMDC-ICFOKQHNSA-N 388.514 4.992 10 40 GJCB Cc1cc(C)cc(OCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 218693876 KEBWAWHDMXPYDX-FQEVSTJZSA-N 380.532 4.796 10 40 GJCB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N3CCCCC3)cc2F)S1 222595265 RPDFQMPIONQKCM-RVHYNSKXSA-N 396.535 4.800 10 40 GJCB CCN(CC)c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(OC)c1 222604370 CIYDLICFNYSYRJ-ONGXBYRLSA-N 396.560 4.526 10 40 GJCB COc1ccc(-c2ccc(CCC(=O)O)n2CCOc2ccc(C)cc2C)cc1 409378235 NVMNQHGWRBWNFR-UHFFFAOYSA-N 393.483 4.877 10 40 GJCB CCN(CC)C(=O)CCCCCN1C(=O)S/C(=C/c2ccccc2)C1=S 5010042 XUJOMWYHNMYMJG-BMRADRMJSA-N 390.574 4.953 10 40 GJCB CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3cccc4ccccc34)c2C)C1=O 5947726 ABUFWYJWPFNEGZ-CPNJWEJPSA-N 387.439 4.569 10 40 GJCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 9232525 NDBDGEJHHFKOMS-OQLLNIDSSA-N 390.873 4.962 10 40 GJCB O=C1/C(=C\c2cnc3ccccc3n2)SC(=S)N1c1ccc(Cl)cc1 13721666 NIOWUINGRDOABE-CXUHLZMHSA-N 383.885 4.689 10 40 GJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cc([N+](=O)[O-])ccc1Cl 100929765 HSILCZRXMJKCBK-ZROIWOOFSA-N 391.214 4.620 10 40 GJCB O=C(CCSc1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 6344555 YXQBIGSPNGGHBC-UHFFFAOYSA-N 387.460 4.583 10 40 GJCB O=C1/C(=C\c2ccccc2F)SC(=S)N1C(=O)c1ccccc1Cl 33845227 KUFFYOXXHMLCKU-NTEUORMPSA-N 377.849 4.521 10 40 GJCB CN1/C(=C2/SC(=S)N(CCc3ccccc3)C2=O)Sc2ccccc21 4088924 FTOIMVGIUIAXGI-VLGSPTGOSA-N 384.551 4.501 10 40 GJCB CC(C)Oc1ccccc1/C=C1\SC(=S)N(c2cccc(C(=O)O)c2)C1=O 12563908 DSFYUWJBUNBXND-BOPFTXTBSA-N 399.493 4.578 10 40 GJCB CC(C)c1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc1 29503250 CNQCAMUYFMFWAE-RQZCQDPDSA-N 399.493 4.620 10 40 GJCB COc1ccc(N2C(=O)/C(=C/C=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 59417996 CKPKVIZLMJVVQV-CZMAMTTRSA-N 398.465 4.565 10 40 GJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1 214354252 SRAYKIJFFVLNKM-CPNJWEJPSA-N 384.476 4.908 10 40 GJCB CCn1cc(/C=C2/C(=O)N(c3cccc(C)c3)C(=S)N=C2O)c2ccccc21 5100653 WQIFZZMYUWGTIJ-LDADJPATSA-N 389.480 4.641 10 40 GJCB CN(C)c1ccc(/C=C2\SC(=O)N(CNc3cccc(Cl)c3)C2=O)cc1 33908984 NXWZQGNUHMLXDW-YVLHZVERSA-N 387.892 4.512 10 40 GJCB O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 408671890 UIZVVMRQJYEMSC-VYDWIPOPSA-N 399.446 4.768 10 40 GJCB O=C(O)c1cccc(N2C(=O)/C(=C/c3c(F)cccc3Cl)SC2=S)c1 5374353 YNTGBFBUJHUKND-ZSOIEALJSA-N 393.848 4.583 10 40 GJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1c(C)cccc1C 100507601 GPBHVXNSWMEHBA-BOPFTXTBSA-N 384.277 4.784 10 40 GJCB COc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 219306130 DTVOMIVDTBOSRW-RBUKOAKNSA-N 396.531 4.576 10 40 GJCB Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1 4702389 GTRBHBPZAWZTOO-DEDYPNTBSA-N 391.858 4.845 10 40 GJCB CC(C)c1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc1 5374249 CNQCAMUYFMFWAE-MFOYZWKCSA-N 399.493 4.620 10 40 GJCB O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1ccc(F)cc1 4591374 RXAJZIABVALWEQ-ZROIWOOFSA-N 394.290 4.994 10 40 GJCB COc1cc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccsc2)ccc1O 10215497 XIXKRWXSECZWSH-DYESRHJHSA-N 378.453 4.705 10 40 GJCB CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 31903718 BKPRBFNUNZLTIG-UHFFFAOYSA-N 394.905 4.663 10 40 GJCB Cc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219289150 LDSCQGDEKDZPBF-YZGWKJHDSA-N 380.532 4.876 10 40 GJCB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCC(C)CC2)c1O 2287572 OYYDSUCACYFBFM-UHFFFAOYSA-N 398.528 4.725 10 40 GJCB Cc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1C 4547785 GJEPPQDPWBAUCW-UYRXBGFRSA-N 399.537 4.592 10 40 GJCB CCc1cc(CN2CCC(NC(=O)c3ccccc3)CC2)c(O)c(C(C)(C)C)c1 40034714 GTRDEBXBTMYHDP-UHFFFAOYSA-N 394.559 4.647 10 40 GJCB Cc1cccnc1N[C@H](c1cccnc1)c1cc(Cl)c2cccnc2c1O 46085509 WEGIIIJERGFKDD-GOSISDBHSA-N 376.847 4.894 10 40 GJCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C/c1c(F)cccc1Cl 408998872 SLLWPVZOARREOG-LFIBNONCSA-N 385.822 4.665 10 40 GJCB CCc1ccc(/C=C2\C(=O)N(c3ccccc3Cl)C(C)=C2C(=O)OC)cc1 409068268 KZJOSUIFAZYJCF-LGMDPLHJSA-N 381.859 4.780 10 40 GJCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc1 1107007 PMASITAHIREIJM-IYOUNJFTSA-N 384.819 4.861 10 40 GJCB Cc1cc(C(=O)[C@@H](C)Oc2ccc(-c3nnco3)cc2)c(C)n1-c1ccccc1 6122240 SZRNCNDMGPDJEI-QGZVFWFLSA-N 387.439 4.794 10 40 GJCB Cc1cccc(N[C@@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)n1 45944545 VQNWSJCXINAUOY-LJQANCHMSA-N 376.847 4.894 10 40 GJCB Cc1nc(N)nc(C)c1/N=N/c1ccc(Br)cc1Br 100183090 YTQCCKYVSOUHRM-VHEBQXMUSA-N 385.063 4.616 10 40 GJCB Cc1cccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1C 222820956 DDTLCORJIUEDRD-FQEVSTJZSA-N 380.532 4.796 10 40 GJCB CCCCOC(=O)[C@H](CC)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 1778893 PCUPFZKKWTVGPL-FQEVSTJZSA-N 380.440 4.961 10 40 GJCB CCCCOc1ccc(N2COc3ccc4c(CC)cc(=O)oc4c3C2)cc1 2112751 ASNUXPIQXMRZGA-UHFFFAOYSA-N 379.456 4.891 10 40 GJCB biogenic COc1ccc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c(OC)c1 5371861 GOSXLMAGZXRJFJ-SXGWCWSVSA-N 391.901 4.763 10 40 GJCB CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)SC1=S 6629529 HXZKUGGWTOKLQG-LDADJPATSA-N 386.542 4.714 10 40 GJCB CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1OC 13596753 RZQKBMNNPAKHKD-PDGQHHTCSA-N 385.510 4.808 10 40 GJCB Cc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccnc2)c1 102907332 VOEHNIYCICPPPJ-UGKGYDQZSA-N 391.858 4.991 10 40 GJCB CC(C)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 140009814 SQQHUYYSBPCFCW-QGZVFWFLSA-N 383.561 4.694 10 40 GJCB COc1cccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c1OC 1245199 POZVGBTUGLXMHZ-OQLLNIDSSA-N 391.901 4.763 10 40 GJCB O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 13712910 GJOOOSPLPCJMGC-ZSOIEALJSA-N 381.400 4.817 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(O)c(Br)c1 100233054 MZZVGQHMAZNGIR-NTUHNPAUSA-N 391.652 4.614 10 40 GJCB CCN(CC)c1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)c1 222563709 VPMZQZFYZVJLTR-NDXORKPFSA-N 380.561 4.826 10 40 GJCB CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260619355 KDLMNJRJHNKZQW-YYDVJCTNSA-N 380.532 4.958 10 40 GJCB COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1O 684573 RYPCGUFJRBGVJA-HRAATJIYSA-N 378.453 4.705 10 40 GJCB CN(C)c1ccc(/C=C2/SC(=O)N(CNc3cccc(Cl)c3)C2=O)cc1 3067967 NXWZQGNUHMLXDW-LICLKQGHSA-N 387.892 4.512 10 40 GJCB O=S(=O)(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(F)cc1 12521009 BFGOYPDCPYMMKX-UHFFFAOYSA-N 390.417 4.603 10 40 GJCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)cc1OC)N2 36081471 MLDFALJKGDWWLB-HYFFOGBASA-N 379.456 4.707 10 40 GJCB Cc1cc(C)cc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260453169 FRGHAPQZPQXCRT-PXNSSMCTSA-N 380.532 4.796 10 40 GJCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(Cl)c1Cl 408891859 DACFVBYACAAFSU-ZROIWOOFSA-N 382.287 4.712 10 40 GJCB Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccccn1 10215222 MYCVCSHANFGYPJ-GHTZIAJQSA-N 377.831 4.683 10 40 GJCB O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)c1ccc(F)cc1 29071324 FHVUTMJBSXWZTE-IBGZPJMESA-N 396.487 4.843 10 40 GJCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cc(OC)ccc1OC 112120114 VGBIWIZNGGJVAT-QNGOZBTKSA-N 379.460 4.593 10 40 GJCB COc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 225316907 IAVYLHBHEIKZKR-LJQANCHMSA-N 380.532 4.742 10 40 GJCB CCOc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3)C(C(=O)OC)=C2C)cc1 408892695 JBCKHFYRCGWWQU-UYRXBGFRSA-N 397.858 4.616 10 40 GJCB COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1O 409348171 RVTYSIBPLYSVNV-CXUHLZMHSA-N 389.523 4.529 10 40 GJCB CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2cccs2)cc1 666432 KQSRYPRTYGKWAE-HXUWFJFHSA-N 375.497 4.806 10 40 GJCB Oc1ccccc1CN1CCCCC[C@@H]1c1cc(-c2ccc3c(c2)OCO3)on1 19349119 XHWVIQNJTWHDOG-LJQANCHMSA-N 392.455 4.893 10 40 GJCB CCOc1ccc(/C=C2/SC(Nc3ccccc3CC)=NC2=O)cc1OC 35042707 ZKOSFZIQGPFOPL-CPNJWEJPSA-N 382.485 4.739 10 40 GJCB COc1cccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)c1 2404166 WQISQWSTJWXNOO-ZDLGFXPLSA-N 380.494 4.593 10 40 GJCB Oc1ccc(Br)cc1C1=NN[C@H](c2ccc(Cl)cc2Cl)C1 5024188 GIROBGULPFKKCR-ZDUSSCGKSA-N 386.076 4.900 10 40 GJCB biogenic COc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2c(C)cccc2C)c1C 6781010 ORRRSORWWAULSO-UHFFFAOYSA-N 376.456 4.541 10 40 GJCB O=C1N=C(NNc2nc3ccccc3s2)S/C1=C\c1ccc(Cl)cc1 12583182 OLXDKKKQAINMCG-ZROIWOOFSA-N 386.889 4.537 10 40 GJCB Cc1cccc(C)c1OC[C@@H](O)CN(Cc1ccccc1O)C1CCCCC1 6082962 OEVWPQYNFDZFOL-QFIPXVFZSA-N 383.532 4.584 10 40 GJCB CCCc1cc(=O)oc2c(C)c(O)c(CNCc3c(F)cccc3Cl)cc12 6661458 GFWKHUDGMDFUMK-UHFFFAOYSA-N 389.854 4.842 10 40 GJCB C[C@H]1C[C@@H]1c1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)o1 11915287 VKPKSQGVWPHTQO-DJPAPCOJSA-N 399.493 4.533 10 40 GJCB Cc1ccnc(N[C@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)c1 45944537 SNPICOGPHQKZKN-IBGZPJMESA-N 376.847 4.894 10 40 GJCB Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2cccc(N3CCOC3=O)c2)c1 58054940 MCVAWAJJYRDQEH-UHFFFAOYSA-N 389.455 4.611 10 40 GJCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 58883575 UGJDOFOKCXSEDB-HKWRFOASSA-N 375.468 4.861 10 40 GJCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(C)cc1 112120195 JGEOAQSEMDWXKO-HKWRFOASSA-N 378.432 4.792 10 40 GJCB Cc1c([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc(N2CCCC2)c1C 222594521 UQAIIJIHOZQLHK-ITEAAPOESA-N 392.572 4.888 10 40 GJCB O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1C1CCCCC1 5172480 ASHBIFQUADCNJW-ZROIWOOFSA-N 382.894 4.782 10 40 GJCB CC[C@@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(O)c(CN2CCOCC2)c1 31923569 CJCLOJYYXSFFKS-GOTSBHOMSA-N 383.532 4.920 10 40 GJCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3C[C@H]4C=C[C@H]3C4)c2C)cc1C 102267622 DVYPJCZUEXZXBV-IPJJNNNSSA-N 377.484 4.649 10 40 GJCB Cc1ccccc1N1C(=O)/C(=C/c2coc3ccccc3c2=O)SC1=S 409377956 MDVPEVWOXAXXJF-YVLHZVERSA-N 379.462 4.507 10 40 GJCB COc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC 5546876 MMEQMSHKZDBXPM-WQRHYEAKSA-N 385.510 4.726 10 40 GJCB CCc1ccccc1N/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C 17077021 RIJBLJIFEUEGRQ-UYRXBGFRSA-N 376.485 4.967 10 40 GJCB COc1ccccc1CN/C(C)=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 112124737 PMBGKUYSUJSEQS-NKFKGCMQSA-N 397.478 4.510 10 40 GJCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 224668905 CILGESPRYFUTQW-QGZVFWFLSA-N 388.939 4.887 10 40 GJCB O=C1NC(=S)S/C1=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 1095907 ZVERSDWSMSUDNZ-OVCLIPMQSA-N 379.865 4.547 10 40 GJCB COc1ccc(C2=NN(C(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C2)c(O)c1 1235357 BTRVDIXOMHPPBI-QFIPXVFZSA-N 386.451 4.701 10 40 GJCB COc1cccc([C@H]2N(C)c3ccccc3C(=O)N2c2ccccc2Cl)c1O 71817165 JGYNKFQSJRBRGV-NRFANRHFSA-N 394.858 4.850 10 40 GJCB O=C1NC(=S)S/C1=C\c1cc(Cl)ccc1OCc1cccc(F)c1 408531157 ONYWIBZTZSYRSO-NVNXTCNLSA-N 379.865 4.547 10 40 GJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3ccc(C)cc3)C2=O)cc1 3044048 USMBWWBMEZYPMS-XSFVSMFZSA-N 395.528 4.947 10 40 GJCB Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 7423160 UQVMQFMFKBWLOK-UHFFFAOYSA-N 391.418 4.837 10 40 GJCB Cc1cc(-c2csc(NC(=O)C3CCOCC3)n2)c(C)n1-c1ccc(F)cc1 23039060 YFWNFZNKZSUOIF-UHFFFAOYSA-N 399.491 4.722 10 40 GJCB O=C1/C(=C\c2ccco2)N=C(c2ccccc2)N1c1ccc(Br)cc1 408758669 OWBQKIZGSHGRFY-QGOAFFKASA-N 393.240 4.877 10 40 GJCB O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(F)c(Cl)c1 409179905 PNROQONHTFETAW-VGOFMYFVSA-N 394.836 4.793 10 40 GJCB CCN(CC)Cc1c(O)ccc2oc(C)c(C(=O)c3cc(OC)ccc3OC)c12 1322737 OFJFSKLSONOUTM-UHFFFAOYSA-N 397.471 4.537 10 40 GJCB biogenic Cc1cccc(C)c1-n1c(C)cc(C=C2C(=O)OC3(CCCCC3)OC2=O)c1C 2120851 HUCBOPJJDJJVKM-UHFFFAOYSA-N 393.483 4.855 10 40 GJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1cc(C)ccc1C 4596796 OMLNVJTYSFDAMZ-GZTJUZNOSA-N 384.277 4.784 10 40 GJCB COc1ccc2cc([C@@H](C)C(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2c1 8780189 NLHZTBGOLXSEAR-QGZVFWFLSA-N 376.500 4.677 10 40 GJCB Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C 222744505 RYCNLVWNLGFJTD-IFMALSPDSA-N 390.556 4.708 10 40 GJCB COc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3ccccc3O)C[C@@H]21 227486542 CRLFOUQLXKEVAO-UWJYYQICSA-N 378.453 4.705 10 40 GJCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)OC)c3[C@@H]3C=CC[C@H]32)cc1 409172075 GVSYVNJYFGNIHH-CLCXKQKWSA-N 397.858 4.740 10 40 GJCB Cc1nc(N)nc(C)c1/N=N\c1ccc(Br)cc1Br 16930744 YTQCCKYVSOUHRM-HNENSFHCSA-N 385.063 4.616 10 40 GJCB O=C1/C(=C\c2cccc(F)c2)SC(=S)N1CNc1ccccc1Cl 32191640 LXHCFZUUWJJSOV-OQLLNIDSSA-N 378.881 4.750 10 40 GJCB CCN1C(=O)/C(=C\c2ccc(Oc3ccccc3F)c(F)c2)SC1=S 95381703 ZCYQGCOXTBFUPY-MHWRWJLKSA-N 377.437 4.978 10 40 GJCB COc1ccc2c(c1)N(C1CCCCC1)/C(=C1/SC(=S)N(C)C1=O)S2 100071404 VRZCBWJXQDVZIT-ICFOKQHNSA-N 392.571 4.599 10 40 GJCB COc1cccc2c1O[C@H](c1ccco1)N1N=C(c3cc(C)ccc3O)C[C@H]21 10215945 GZAQNVKHLVZTIJ-VGOFRKELSA-N 376.412 4.545 10 40 GJCB Oc1c([C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc(Cl)c2cccnc12 24303293 DCTAYAHGXNQCJD-LJQANCHMSA-N 389.282 4.669 10 40 GJCB CCN1/C(=C/C=C2/SC(=S)N(Cc3ccccc3)C2=O)Oc2ccccc21 4579212 AVTGBYABIMHCHW-LOEKEGPCSA-N 394.521 4.691 10 40 GJCB COc1ccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)cc1Cl 5516091 TWQKTDGRSZGOIU-UHFFFAOYSA-N 397.858 4.609 10 40 GJCB CN1C(=O)/C(=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)SC1=S 9310518 WHESEAHIVWZPOX-QGMBQPNBSA-N 385.554 4.691 10 40 GJCB COc1ccccc1/C=C1\SC(N2CCC(Cc3ccccc3)CC2)=NC1=O 13547712 IVUVRXUPILDYMY-PGMHBOJBSA-N 392.524 4.620 10 40 GJCB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2F)N1c1ccccc1 408755884 SDPHHHSURAAVKQ-XSFVSMFZSA-N 387.370 4.568 10 40 GJCB O=C1N/C(=C/c2ccc(N3CCCC3)c3ccccc23)C(=O)N1Cc1ccccc1 409246648 KDAFQCAKIINHJK-CJLVFECKSA-N 397.478 4.533 10 40 GJCB CC(=O)Nc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)cc1 920208 FGAABICWPXWMPP-UHFFFAOYSA-N 382.847 4.773 10 40 GJCB CCN(CC)c1ccc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc1 1409514 PBBQXLZGOFZIOY-LJQANCHMSA-N 393.516 4.610 10 40 GJCB Cc1cc(C(=O)CN2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccc(Cl)c(Cl)c1 19901811 YEEXQKXSAIXISH-ZIAGYGMSSA-N 395.330 4.693 10 40 GJCB CC[C@@]1(C)C[C@](CCNCc2ccccc2O)(c2ccccc2OC)CCO1 4029025 ZURXJQRDJNACHN-BJKOFHAPSA-N 383.532 4.798 10 40 GJCB biogenic CCCCc1ccc(NC2=NC(=O)/C(=C\c3nc4ccccc4n3C)S2)cc1 5236024 SFGIMIJCQBEXNE-XMHGGMMESA-N 390.512 4.998 10 40 GJCB CC(C)(C)N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 6563328 JNESUTNNZAQZRV-GDNBJRDFSA-N 388.470 4.855 10 40 GJCB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)N=C2S1 20037333 FTPCBRZZQKVYDP-JBTTYCITSA-N 396.903 4.915 10 40 GJCB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(N2CCCCC2)cc1 222966233 DDAHXEHTTCLWNB-QFIPXVFZSA-N 380.532 4.768 10 40 GJCB Cc1cc(CN(C)C)c(O)c(C(c2cc(C)cc(CN(C)C)c2O)C(C)C)c1 255189961 UBIFAXWQROZSRI-UHFFFAOYSA-N 384.564 4.626 10 40 GJCB CCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1O[C@H](C)C(=O)OCC 633853 WYQMJFINVLCCND-OAHLLOKOSA-N 380.440 4.743 10 40 GJCB O=S(=O)(O)c1ccc(/N=N/c2ccc(O)c3ncccc23)c2ccccc12 6117707 HQNCDPDGDRMZOI-QURGRASLSA-N 379.397 4.756 10 40 GJCB C/C(NCCc1cccs1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 17079152 DAIOISSGZVXWDI-FXBPSFAMSA-N 387.508 4.605 10 40 GJCB COc1ccc(N2C(=O)/C(=C/c3c(F)cccc3Cl)SC2=S)cc1 978016 MGWNGRYXBOSMML-DHDCSXOGSA-N 379.865 4.894 10 40 GJCB COc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)c2ccccc12 1192711 KJGCKKVUNYUHQO-CPNJWEJPSA-N 386.407 4.664 10 40 GJCB S=C(NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccccc1 6575848 MAWDJDAJSIOOFA-UHFFFAOYSA-N 398.495 4.519 10 40 GJCB CCOc1ccc(NC(=O)C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1 6781015 YNMQXFIEOQHOQH-UHFFFAOYSA-N 376.456 4.623 10 40 GJCB COC(=O)c1cccc(-n2c(C)cc([C@@H]3NN=C(c4ccccc4)S3)c2C)c1 6961980 VVQBDQRMHKTYOZ-OAQYLSRUSA-N 391.496 4.578 10 40 GJCB COC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@@H]21 13389224 AKNZEKOLMKDERA-CFZJUORYSA-N 384.819 4.861 10 40 GJCB COc1ccc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)c(OC)c1 13712686 CIYMMNKNARWQCH-SXGWCWSVSA-N 391.901 4.763 10 40 GJCB COC(=O)c1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 14165790 AKNZEKOLMKDERA-PTAUBWNISA-N 384.819 4.861 10 40 GJCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(N(C)C)cc2)c2ccccc2C1=O 33039486 ZCHOLOAYFONALM-CJLVFECKSA-N 382.463 4.789 10 40 GJCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 224362101 SJBVLYPVJLKQDV-GOSISDBHSA-N 376.500 4.770 10 40 GJCB CCN(CC)c1ccc(CNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 224362152 SJBVLYPVJLKQDV-SFHVURJKSA-N 376.500 4.770 10 40 GJCB Cc1ccc(C)c(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260577902 PFZHRDANHMJVCB-AZUAARDMSA-N 380.532 4.796 10 40 GJCB O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(Cl)s3)SC2=S)c1 14178164 BMVGSTUNHWLODM-YRNVUSSQSA-N 381.887 4.506 10 40 GJCB COc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1 59417999 IMBGKGWCXMAPSL-QVOHYOOSSA-N 398.465 4.565 10 40 GJCB CC(C)(C)c1ccccc1OCC(=O)NCc1ccc(N2CCCCC2)cc1 222797678 OSNSZZLBVOKCBL-UHFFFAOYSA-N 380.532 4.670 10 40 GJCB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccccc1CN1CCCCC1 141578366 UQZNETGQUKNABQ-UHFFFAOYSA-N 391.559 4.593 10 40 GJCB CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O 409205669 DUFAKPOSXZJLFE-MHWRWJLKSA-N 392.933 4.694 10 40 GJCB Cc1oc2ccc(O)c(CN3CCCC[C@@H]3C)c2c1C(=O)NCc1ccccc1 5182550 RCFXSVNPVUOLKO-INIZCTEOSA-N 392.499 4.751 10 40 GJCB COc1ccc(N(CC(=O)Nc2cc(F)ccc2F)Cc2ccccc2)cc1 12536935 QUYKABQMUCCQLP-UHFFFAOYSA-N 382.410 4.619 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(C)c1 14406625 VOXWSTMFTCVLJM-STZFKDTASA-N 375.468 4.879 10 40 GJCB Cc1cc(/C=C2/C(=O)N(c3cc(Cl)cc(Cl)c3)C(=S)N=C2O)c(C)[nH]1 17163225 IOAIOWJCDWSYTP-LNKIKWGQSA-N 394.283 4.610 10 40 GJCB Cc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1C(=O)O 5374264 OQBODYBCMKLXAR-WIXUPIFPSA-N 381.478 4.655 10 40 GJCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(c2ccccc2)C1=O 35147949 IOXUNFCRYKTLOD-UYRXBGFRSA-N 382.460 4.975 10 40 GJCB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 218687536 ISBKFVHLBGJRJX-AQNXPRMDSA-N 380.532 4.876 10 40 GJCB O=C(CSCc1ccccc1Cl)NCc1ccc(N2CCCCC2)cc1 10113081 ZWCVONCRYQUMQH-UHFFFAOYSA-N 388.964 4.880 10 40 GJCB CC(=O)[C@@](Cc1ccccc1)(/N=N/c1ccccc1)S(=O)(=O)c1ccccc1 104375127 AWRQNLJDWIPANV-KXZZPGAFSA-N 392.480 4.772 10 40 GJCB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc21 208220035 NXNGYILHSVKAKD-FPXKJXHESA-N 389.499 4.502 10 40 GJCB COc1cc(C2=NN3[C@H](c4ccsc4)Oc4ccccc4[C@H]3C2)ccc1O 245170845 XIXKRWXSECZWSH-UTKZUKDTSA-N 378.453 4.705 10 40 GJCB COc1cc(C)c(/C=C2\SC(Nc3ccc(C)c(C)c3)=NC2=O)cc1OC 6256206 ZVGQGHKHMBNOMK-ODLFYWEKSA-N 382.485 4.711 10 40 GJCB Cc1cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c(C)n1-c1ccccc1F 12607883 HADYMUDJILUYSW-UHFFFAOYSA-N 391.450 4.811 10 40 GJCB COc1ccc(N/C(=C2\C(=O)N(c3ccccc3)N=C2C)c2ccccc2)cc1 100210547 AOMQGILKTQZDOO-FCQUAONHSA-N 383.451 4.941 10 40 GJCB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1 219606039 NOZJGRZTAXGTOS-OAQYLSRUSA-N 386.923 4.804 10 40 GJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 222899183 AXNYWNGVXLODJR-RTWAWAEBSA-N 376.529 4.563 10 40 GJCB COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(OC)cc3)C2=O)cc1 408760111 RQWGMTNQUXHKKS-XQNSMLJCSA-N 398.462 4.847 10 40 GJCB O=C1N=C(O)/C(=C/c2ccccc2)C(=O)N1c1ccc(OCc2ccccc2)cc1 33316187 MBYPQVDTGQJKOE-QNGOZBTKSA-N 398.418 4.772 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cccc(C)c1 408585662 GXILFIMJJGGBMT-WQRHYEAKSA-N 381.859 4.834 10 40 GJCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2OC)cc1 408841378 GPHCQINQCUNRCK-OQKWZONESA-N 398.462 4.928 10 40 GJCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 4309553 GPVNEYGIFCJEQU-FCEWJHQRSA-N 381.388 4.728 10 40 GJCB Cc1ccc(S(=O)(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1C(=O)O 13348830 HDHNDZVRMBFDCY-QURGRASLSA-N 395.440 4.909 10 40 GJCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2F)c1C 222783791 YNLDXKXYPKFDTQ-LEWJYISDSA-N 394.519 4.621 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2C)o1 1274278 CMNZBKTUIRTIGD-DEDYPNTBSA-N 386.407 4.759 10 40 GJCB Cc1cc2oc(=O)c(C)c(C)c2c(O)c1C1=NN[C@H](c2ccccc2Cl)C1 12408730 URDNJPOXCAMFGY-HNNXBMFYSA-N 382.847 4.516 10 40 GJCB CN1CCCc2cc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)ccc21 27023057 JFVBSSFZIRSDBI-HKWRFOASSA-N 394.565 4.513 10 40 GJCB COc1cccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(F)cc3)C2=O)c1 408760661 CNHKNGRXRMRWIX-KGENOOAVSA-N 390.389 4.808 10 40 GJCB CCOc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 6804346 GRVZZEWTKHHQBG-UHFFFAOYSA-N 378.472 4.587 10 40 GJCB COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(OC)c(Cl)c2)cc1 6887082 UNNDBCAPVXZFQP-UHFFFAOYSA-N 385.847 4.832 10 40 GJCB C[C@H]1CN(C2=NC(=O)/C(=C/c3cccc(Oc4ccccc4)c3)S2)C[C@@H](C)O1 13775435 IKCSQSMFDFZPHP-PAXPMQMASA-N 394.496 4.558 10 40 GJCB COc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 225667897 BFABXBHHTBUAGU-SJORKVTESA-N 383.561 4.979 10 40 GJCB COc1ccc(/C=C2\SC(NC3CCCCC3)=NC2=O)cc1OCC(C)C 14110506 QGAXFGRPISJCIB-UNOMPAQXSA-N 388.533 4.623 10 40 GJCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OC(C)C 33323463 DHJXDRVMVGQVNG-LICLKQGHSA-N 384.863 4.942 10 40 GJCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1nc2ccc(C)cc2s1 101346699 NZXKXNWDQAVWLX-WJDWOHSUSA-N 376.485 4.940 10 40 GJCB Cc1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1Cl 9188645 JHHYWESMCFQVCV-NVNXTCNLSA-N 390.873 4.962 10 40 GJCB CCN1/C(=C2/SC(=S)N(C3CCCCC3)C2=O)Sc2ccccc21 35074315 IYITTYJTEIDKJJ-ICFOKQHNSA-N 376.572 4.981 10 40 GJCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 38199324 CYBLCGWUHVMXIL-LVCYWYKZSA-N 379.481 4.706 10 40 GJCB COc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2cccc(C)c2)cc1 408757207 VZUCZQKTOHBXIA-PXLXIMEGSA-N 386.426 4.977 10 40 GJCB CCOc1ccccc1N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S 2406735 ZGSSSDQLELIVEV-UNOMPAQXSA-N 394.521 4.983 10 40 GJCB O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 13490623 JATJAPWMNULNGP-UHFFFAOYSA-N 387.460 4.872 10 40 GJCB COc1cc(/C=C2/SC(Nc3ccccc3C)=NC2=O)ccc1OC(F)F 96663466 VSAWBTZNKJXCNK-MHWRWJLKSA-N 390.411 4.687 10 40 GJCB CCCn1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)c2ccccc21 103123151 LIHQDHFWDXOXLH-UYRXBGFRSA-N 387.439 4.866 10 40 GJCB CC1CCN(c2ccc([C@H](C)NC(=O)COc3ccc(Cl)cc3)cc2)CC1 217831425 DKFLEXQRZBPMNE-KRWDZBQOSA-N 386.923 4.833 10 40 GJCB COc1ccc2cc(C3=C/C(=C/c4cccc(OC)c4OC)C(=O)O3)ccc2c1 408723319 TXHKJKXTWJELCA-UNOMPAQXSA-N 388.419 4.847 10 40 GJCB CCOc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccc(OC)cc2)cc1 408758876 SZNLDNGIEHCDBV-RCCKNPSSSA-N 388.423 4.521 10 40 GJCB Oc1ccccc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccccn1 10215224 MYCVCSHANFGYPJ-WIYYLYMNSA-N 377.831 4.683 10 40 GJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)C1 217888732 HFGFSMYXEVSCCH-NHCSIYGUSA-N 393.487 4.722 10 40 GJCB CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)cc1 28629647 UPKVRAHSAOAPLE-AQTBWJFISA-N 384.526 4.644 10 40 GJCB Oc1ccc2cc(Br)ccc2c1CN1CCN(c2ccccc2)CC1 33376942 MZRDPZSHDTVNGN-UHFFFAOYSA-N 397.316 4.630 10 40 GJCB CCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccccc3Cl)C(=O)N=C2S1 41083353 SZKWUDXJWSTZPC-WQNNSZPQSA-N 397.891 4.550 10 40 GJCB CC(C)(C)c1csc(NC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)n1 3333470 QHUFQJWASOQQCH-UHFFFAOYSA-N 392.480 4.759 10 40 GJCB CCN(CC)c1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c(O)c1 7365474 RTEGBNIXMJJOIB-WQRHYEAKSA-N 384.457 4.597 10 40 GJCB COc1cccc(Oc2coc3c(CN4CCC[C@@H](C)C4)c(O)ccc3c2=O)c1 20518590 QNZOGZCTVUHVJK-OAHLLOKOSA-N 395.455 4.531 10 40 GJCB CCCCOC(=O)c1ccc(NCc2cc(Br)ccc2O)cc1 44836177 NKKMGZWTAODULZ-UHFFFAOYSA-N 378.266 4.724 10 40 GJCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c(OC)c1 51330655 QMBQNUOVJOBXNH-YVLHZVERSA-N 389.473 4.639 10 40 GJCB CCc1sc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1C 69436259 GPOGNHLXSWVEFI-LJQANCHMSA-N 386.561 4.506 10 40 GJCB Cc1cccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2cccc(C)c2)c1 408754704 LGWOOKUDRBJBFN-FYJGNVAPSA-N 396.446 4.867 10 40 GJCB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)O)c2-c1ccc2ccccc2c1 3953831 IPGCPQVGKGPJDW-UHFFFAOYSA-N 378.383 4.980 10 40 GJCB in-vitro CCCC1=NN2C(=N)/C(=C/c3cccn3-c3cccc(Cl)c3)C(=O)N=C2S1 13280932 RGYWOWTXSNAPCA-WSYITQDSSA-N 397.891 4.550 10 40 GJCB Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3)C2=O)cc1 13800528 VEEYPBYKNHELKV-JXAWBTAJSA-N 396.537 4.615 10 40 GJCB Cc1cc(N2CCCC2)c(F)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 260781594 TZLQGSPUUHLXKQ-IPHXSNPTSA-N 396.535 4.719 10 40 GJCB CC(C)c1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 409342977 DBZFVROMVVZKSA-GIJQJNRQSA-N 383.494 4.945 10 40 GJCB CNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 409378150 MQWIZMAFULLXTN-MDZRGWNJSA-N 383.289 4.635 10 40 GJCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(OC)c1OC)N2 4172108 TXUJAPDGRKOFJY-VWKPWSFCSA-N 379.456 4.707 10 40 GJCB O=C(COC(=O)c1cccnc1Cl)Nc1ccc(/N=N/c2ccccc2)cc1 5018848 PKRVLNHPDJINIE-OCOZRVBESA-N 394.818 4.946 10 40 GJCB CCOc1ccccc1/C=C1\C(=O)N(c2cccc(Cl)c2)C(C)=C1C(=O)OC 59566363 ZOUKUCWHAODBBW-PDGQHHTCSA-N 397.858 4.616 10 40 GJCB CCOc1cccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c1 60512504 ZFMDMBMTUFMXKT-AQTBWJFISA-N 384.526 4.557 10 40 GJCB COc1ccccc1/C=C1/SC(Nc2cccc(C(F)(F)F)c2)=NC1=O 1841496 AUTDIYGTKWOSDL-OQLLNIDSSA-N 378.375 4.796 10 40 GJCB O=C(c1ccccc1)c1c(Cl)cccc1NS(=O)(=O)Cc1ccccc1 4151116 BPFTWVSLRHBONO-UHFFFAOYSA-N 385.872 4.513 10 40 GJCB Cc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 13749465 BFQUGTKBOCVDNN-QNGOZBTKSA-N 383.407 4.738 10 40 GJCB Cc1ccc(Nc2c(O)c3c(c(O)c2Cl)C(=O)c2ccccc2C3=O)cc1 66087522 BQGPNXBJJAKCNN-UHFFFAOYSA-N 379.799 4.579 10 40 GJCB CCOC(=O)c1ccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)cc1 95912906 RMGPQZGEQNZXMS-NRFANRHFSA-N 399.450 4.714 10 40 GJCB COC(=O)c1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 408756761 UIIZXLXIDAJAHN-CJLVFECKSA-N 396.446 4.616 10 40 GJCB COc1ccccc1/C=C1/N=C(c2ccccc2F)N(c2ccc(F)cc2)C1=O 408758432 JXRGJKASVRBNRA-XSFVSMFZSA-N 390.389 4.808 10 40 GJCB Cc1cc([C@@H]2NC[C@@H](C(=O)O)S2)c(C)n1-c1ccc(-c2ccccc2)cc1 408977833 KEDYCBQSZLRFBX-LEWJYISDSA-N 378.497 4.549 10 40 GJCB Cc1cccnc1N[C@@H](c1ccc([N+](=O)[O-])cc1)c1ccc2cccnc2c1O 947296 WELXVIRRZWBNAN-IBGZPJMESA-N 386.411 4.754 10 40 GJCB O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(Cl)c1 1415969 MNSFVAVUFAMPPZ-RIYZIHGNSA-N 376.846 4.654 10 40 GJCB Cc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 4150609 STPKTTYXNKTTPH-QNMDCZIWSA-N 382.876 4.524 10 40 GJCB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Cl)cc(Cl)c2O)N3)C1 4556423 KFXLEDWFTFXUQB-OAHLLOKOSA-N 398.315 4.567 10 40 GJCB Oc1ccccc1CN1CCCCC[C@H]1c1cc(-c2ccc3c(c2)OCO3)on1 19349121 XHWVIQNJTWHDOG-IBGZPJMESA-N 392.455 4.893 10 40 GJCB CC1=CC2=NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=N)N2O1 2210217 HODYZTUTZLPPGC-WJNHLLBISA-N 385.832 4.535 10 40 GJCB CC1=CN2C(=N)/C(=C/c3ccc(OCc4ccccc4C)cc3)C(=O)N=C2S1 17146012 IZHOXFVDONICMI-FNYLDBEHSA-N 389.480 4.741 10 40 GJCB CCCc1ccc(NC2=NC(=O)/C(=C\c3ccc(OC)c(OC)c3)S2)cc1 28296850 JRANTJKYGKZCKF-CPNJWEJPSA-N 382.485 4.739 10 40 GJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1 222826607 KLEXGXRMMZIADJ-YADHBBJMSA-N 390.556 4.870 10 40 GJCB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)C1=O 409015547 SLIKHCAXKVIMNA-JDAJCMJVSA-N 385.441 4.788 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1Cl 409347682 QVYIEXMLRSNWMB-OVCLIPMQSA-N 379.865 4.894 10 40 GJCB CN(C)c1ccc([C@@H]2NC(=O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)cc1 4913717 LEVOIKJTRLSWOE-IFXJQAMLSA-N 383.561 4.819 10 40 GJCB O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)c1ccccc1 924817 CBCJJXUUCJNJLW-IBGZPJMESA-N 378.497 4.704 10 40 GJCB O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1c1cccc([N+](=O)[O-])c1 2992913 UWZCSBMPXRSEIN-ZSOIEALJSA-N 394.836 4.793 10 40 GJCB O=C(CSCc1c(F)cccc1Cl)NCc1ccc(N2CCCC2)cc1 10113510 AJQWRDPVNVDZDE-UHFFFAOYSA-N 392.927 4.629 10 40 GJCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1c(Cl)cccc1Cl 408891930 FPEJFJJEVICDDG-PTNGSMBKSA-N 388.250 4.871 10 40 GJCB CCOc1cc(Cl)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC 211090653 IYTNPWJHAQXNQT-GZTJUZNOSA-N 384.863 4.944 10 40 GJCB COc1cccc(/C=C2/N=C(c3ccccc3OC)N(c3cccc(C)c3)C2=O)c1 408844783 PINIKROFJUZXPB-CJLVFECKSA-N 398.462 4.847 10 40 GJCB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1 14414957 IJALYADIIXWGPK-HKWRFOASSA-N 395.886 4.645 10 40 GJCB CCn1c2ccccc2c2cc(C=C3C(=O)OC4(CCCC4)OC3=O)ccc21 2222857 YBPUMCQRJLFNKY-UHFFFAOYSA-N 375.424 4.568 10 40 GJCB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(OC3CSC3)c1)N2 4959446 CYBLCGWUHVMXIL-WFXMLNOXSA-N 379.481 4.706 10 40 GJCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2ccc(C(=O)O)cc2)C1=O 16890247 RDOICLHGZLWRBO-QKIOLIMFSA-N 381.478 4.737 10 40 GJCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OC 409344281 IRPCUPZJBFMIGZ-YVLHZVERSA-N 389.473 4.639 10 40 GJCB O=C(NCc1ccc(N2CCCC2)cc1)c1cc(Br)ccc1Cl 28336661 RBVWOEJVYLPOBN-UHFFFAOYSA-N 393.712 4.633 10 40 GJCB Cc1ccc(C2=C/C(=C\c3ccc(N(C)C)c(Br)c3)C(=O)O2)cc1 83310171 PMLWMSYCPNPRHD-MHWRWJLKSA-N 384.273 4.805 10 40 GJCB Cc1cc(NC(=S)NCCCN(C)c2ccccc2)ccc1Br 107039960 HCKQGOUBLANXIY-UHFFFAOYSA-N 392.366 4.570 10 40 GJCB Cc1ccc2c(COC(=O)c3cc(C)n(-c4ccccc4)c3C)cc(=O)oc2c1 3286565 BCEBEAJVVAEHQU-UHFFFAOYSA-N 387.435 4.866 10 40 GJCB COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc(Cl)c1OC(C)=O 4738849 KRJQWUOXYMTSPK-LZYBPNLTSA-N 384.815 4.564 10 40 GJCB Cc1ccc2c(c1)CCCN2C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 7779062 JZOCNYMHSAJMNO-UHFFFAOYSA-N 394.478 4.836 10 40 GJCB CC[C@@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(O)c(CN2CCN(C)CC2)c1 19366907 ORAVMMPYPPCELG-ZEQRLZLVSA-N 396.575 4.836 10 40 GJCB Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N=C2O)c(C)n1C1CCCC1 96476600 QNFMFAGSZRVRSL-CPNJWEJPSA-N 393.512 4.892 10 40 GJCB Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@H]2c1ccccn1 102907281 MYCVCSHANFGYPJ-RXVVDRJESA-N 377.831 4.683 10 40 GJCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@H](C)Oc3ccc(F)cc3)cc2)CC1 218701394 BNWIJBLKRMOXRR-ROUUACIJSA-N 384.495 4.707 10 40 GJCB Nc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3Br)o2)cc1 227157838 WJWOXQLLJGBRLJ-UHFFFAOYSA-N 375.197 4.683 10 40 GJCB Cc1cc(/C=C2/SC(=S)N(C)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 409339178 SNIYKWCJAFGXAK-OVCLIPMQSA-N 396.459 4.944 10 40 GJCB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 4959445 CYBLCGWUHVMXIL-WAOWUJCRSA-N 379.481 4.706 10 40 GJCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 6348310 OZQYRMYDWYTJIV-ZHZULCJRSA-N 377.440 4.560 10 40 GJCB Cc1ccc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1 9188914 OJCMGNFWWWWIII-PGMHBOJBSA-N 376.525 4.920 10 40 GJCB Oc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccn2)cc1 10215409 DMMCULBQLJMFAT-FPOVZHCZSA-N 377.831 4.683 10 40 GJCB COc1ccccc1/C=C1\SC(=S)N(c2ccc(F)c(Cl)c2)C1=O 13712736 REWPSAYERHOMCG-NVNXTCNLSA-N 379.865 4.894 10 40 GJCB COc1ccc(N2COc3ccc4c(c3C2)OC2(CCCCC2)CC4=O)cc1 20733607 GGFFQVPDXBOPGN-UHFFFAOYSA-N 379.456 4.720 10 40 GJCB Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(Cc4ccccc4)c3C)C2=O)cc1 409221579 SFKBUVUTZWYFGL-OEAKJJBVSA-N 399.494 4.555 10 40 GJCB CCC1=NN2C(=N)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N=C2S1 3864202 YNBUEGMAGPIROI-ILUQACKLSA-N 384.848 4.629 10 40 GJCB COc1ccc(CNC2(c3ccccc3OC)CCCC2)cc1Cn1ccnc1 12116976 UUARPIQOAGNJCR-UHFFFAOYSA-N 391.515 4.508 10 40 GJCB Cc1ccc(N[C@H](c2ccncc2)c2cc(Cl)c3cccnc3c2O)nc1 45944574 UNWQXLZTGADYJS-LJQANCHMSA-N 376.847 4.894 10 40 GJCB Cc1cc(N2CCCC2)c(C)cc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222594314 NLIQHNLRUFOJIW-WTOYTKOKSA-N 392.572 4.888 10 40 GJCB CCOc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc(Cl)c1O 668148 IUSOXSLCQBAAGB-OVCLIPMQSA-N 391.254 4.904 10 40 GJCB COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(C)cc3)C2=O)c(OC)c1 5544068 INLYQAWRHRWAOM-PXLXIMEGSA-N 398.462 4.847 10 40 GJCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(Cl)cc1 16694396 NJYZHGYRRKVNDD-UXBLZVDNSA-N 386.707 4.842 10 40 GJCB COc1ccc(-c2csc(S[C@H]3C(=O)N(c4ccccc4)N=C3C)n2)cc1 103647790 NQPGWICUYJAASN-GOSISDBHSA-N 395.509 4.702 10 40 GJCB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 218973055 IKUVNXUMIKWATF-AQNXPRMDSA-N 380.532 4.876 10 40 GJCB CCOC(=O)/C=C(\C)N1N=C(c2cccs2)C[C@H]1c1cc(Cl)ccc1O 80325238 KQYNFYDFHXGVSU-YHVDPYDOSA-N 390.892 4.725 10 40 GJCB O=C1/C(=C\c2coc3ccccc3c2=O)SC(=S)N1c1cccc(Cl)c1 409387302 PPVUGMLEGDRVDD-LZYBPNLTSA-N 399.880 4.852 10 40 GJCB O=C1/C(=C/c2ccc3cccc(Cl)c3n2)SC(=S)N1c1cccc(O)c1 51330878 OGDLUPWHQZTHIC-SXGWCWSVSA-N 398.896 5.000 10 40 GJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1cc(C)ccc1C 100507598 OMLNVJTYSFDAMZ-BOPFTXTBSA-N 384.277 4.784 10 40 GJCB FC(F)(F)c1cnc(N2CC=C(c3c[nH]c4ncccc34)CC2)c(Cl)c1 22373797 ORFUUXRDZNDLNX-UHFFFAOYSA-N 378.785 4.924 10 40 GJCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/C=C/c1ccccc1 105413615 DROPIRIWOGFUCO-LRELXJSQSA-N 378.300 4.744 10 40 GJCB Cc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 219289002 HGTNFZVNRKAMFJ-VQTJNVASSA-N 380.532 4.876 10 40 GJCB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1c(F)cccc1Cl 408999712 VOEPTBVPJXFWMS-LVLBFHFTSA-N 399.849 4.913 10 40 GJCB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)ccc1O 1245364 HDLQFGUBTOBHKV-YBEGLDIGSA-N 391.901 4.850 10 40 GJCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccc(Br)cc1 5442689 IXLYZWBGKKQAQA-GZTJUZNOSA-N 384.277 4.784 10 40 GJCB O=C(CSCc1ccc(Cl)cc1)NCc1ccc(N2CCCCC2)cc1 10113083 XTAPEAFKIAZXKM-UHFFFAOYSA-N 388.964 4.880 10 40 GJCB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(OC)cc1)CO3 2121176 IRKKYUSJTMRVBF-UHFFFAOYSA-N 379.456 4.809 10 40 GJCB biogenic Cc1ccccc1-c1nnn(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)n1 6303087 WSMWMGGFWQPNEY-OCOZRVBESA-N 397.442 4.703 10 40 GJCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(F)cc1 112121082 OQWKRDOHRLOJAI-UYRXBGFRSA-N 382.395 4.623 10 40 GJCB O=C(O)c1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1 409340271 TYGXSQVHOYMSNF-LDADJPATSA-N 391.473 4.944 10 40 GJCB COc1ccc2c(c1)S/C(=C/C=C/c1sc3cc(OC)ccc3[n+]1C)N2C 685944443 MKUKNXZQXPRPCU-UHFFFAOYSA-N 397.545 4.840 10 40 GJCB CO[C@H](C(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O)c1ccccc1 9260534 KFMAHVOPBGDRGX-NQIIRXRSSA-N 392.480 4.519 10 40 GJCB O=C1/C(=C\c2ccc(OC(F)F)cc2)SC(=S)N1Cc1ccccc1 15357269 NWUIXIWUWPGIGX-XNTDXEJSSA-N 377.437 4.689 10 40 GJCB Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccccc4)C3=O)c2C)cc1C 409010745 KWKYBVODDQFXCK-HYARGMPZSA-N 385.467 4.808 10 40 GJCB COc1ccc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)cc1Br 409050875 BURKOMHCEIZPNT-MDWZMJQESA-N 375.193 4.578 10 40 GJCB CCCN1C(=O)/C(=C/c2ccc(O[C@H](C)CC)c(OCC)c2)SC1=S 409339552 WBJBCVLQODDMQS-KAECEXQPSA-N 379.547 4.874 10 40 GJCB Cc1cccc(Oc2ccc(N3C(=O)c4ccc(C(=O)O)cc4C3=O)cc2)c1C 820915 BFIFBLMKFOYJPP-UHFFFAOYSA-N 387.391 4.595 10 40 GJCB O=C(O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c2ccccc21 4677786 OJSYWRGDFXYNIG-KGENOOAVSA-N 394.430 4.945 10 40 GJCB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(Cl)c1 14414953 YNDWHWQHWYUVJW-HKWRFOASSA-N 395.886 4.645 10 40 GJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1Cl 222739491 VXZSPZGHOZPGMC-VQTJNVASSA-N 396.947 4.745 10 40 GJCB CCN(CCNC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(C)cc1 225792861 YOAPVDRHPAQCDH-UHFFFAOYSA-N 381.467 4.827 10 40 GJCB COc1ccc(N2C(=O)/C(=C/C3=Cc4ccccc4O[C@@H]3C)SC2=S)cc1 6454958 NOBMVPDXNQTXRR-CQLSMYGBSA-N 395.505 4.808 10 40 GJCB CCc1ccc(O[C@H](CC)C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 222893970 NFDMSSORCXUDPB-HSZRJFAPSA-N 380.532 4.713 10 40 GJCB CC(C)Oc1ccc(/C=C2\N=C(c3ccccc3)N(c3nccs3)C2=O)cc1 2206905 XOXXLBILDZVVDT-RGEXLXHISA-N 389.480 4.765 10 40 GJCB CCCCOc1ccc(/C=C2/SC(=S)N(CCCC)C2=O)cc1OC 96921016 SPTMNOHWOZGSIZ-GHRIWEEISA-N 379.547 4.875 10 40 GJCB CC(=O)[C@](Cc1ccccc1)(/N=N/c1ccccc1)S(=O)(=O)c1ccccc1 104375132 AWRQNLJDWIPANV-VNRABVQOSA-N 392.480 4.772 10 40 GJCB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCCC1 222592989 KEFZTZMQWLSRCJ-ORYQWCPZSA-N 378.545 4.580 10 40 GJCB COC(=O)c1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 408764288 QZFGTSZGUQHIKX-CJLVFECKSA-N 396.446 4.616 10 40 GJCB CC(C)CN1C(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)SC1=S 409136810 VQKCROQRNZWNPC-RZNTYIFUSA-N 395.347 4.788 10 40 GJCB CCOc1c(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cccc1OC 409329248 CTAHABZVBSGXMN-ATVHPVEESA-N 385.510 4.808 10 40 GJCB COC[C@@H](C)n1c(C)cc(C(=O)CSc2ncc(-c3ccccc3)n2C)c1C 5175191 HYJBNHYFXFGFCT-MRXNPFEDSA-N 397.544 4.688 10 40 GJCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NC1CCCCC1 103917764 MDIIEOJRPZYOBC-RGEXLXHISA-N 382.533 4.995 10 40 GJCB COc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(Br)c3)c2)cc1 216727042 VJKSZTBFEFMGRU-FQEVSTJZSA-N 399.288 4.784 10 40 GJCB Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N=N)c2ccccc2)cc1 584577838 OZFNQOYSPLRLPP-NHCUHLMSSA-N 379.485 4.787 10 40 GJCB Cc1cccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccc[nH]4)o3)c2C)c1 44030461 IZBFZFLXYCGZMZ-UHFFFAOYSA-N 392.484 4.756 10 40 GJCB CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O 96504989 OZTBGTFYTPPDMX-QGOAFFKASA-N 384.526 4.557 10 40 GJCB O=C1N=C(NNc2nc3ccccc3s2)S/C1=C/c1ccc(Cl)cc1 98002378 OLXDKKKQAINMCG-NTEUORMPSA-N 386.889 4.537 10 40 GJCB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)n1-c1ccccc1 222853993 NGZUOHCJMRQWLC-LEWJYISDSA-N 376.529 4.562 10 40 GJCB COc1ccc(-n2cccc2/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 408901855 HYQJJYIAIPFDGU-XMHGGMMESA-N 392.505 4.892 10 40 GJCB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1CNc1ccccc1Cl 3023863 LXHCFZUUWJJSOV-DHDCSXOGSA-N 378.881 4.750 10 40 GJCB CC1(C)C[C@@H]2C[C@@](C)(CN2Cc2c(O)ccc3c4c(c(=O)oc23)CCCC4)C1 4422076 SCSBZQIUAIKSBS-OYLFLEFRSA-N 381.516 4.778 10 40 GJCB CC1CCN(CN2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)SC2=S)CC1 19830670 UKVHWRWCXUNIMN-QGOAFFKASA-N 388.602 4.875 10 40 GJCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2cccc(C)n2)cc1 103921403 YKVYXHUWCWBIGN-XLNRJJMWSA-N 398.466 4.536 10 40 GJCB Cc1c(Nc2c3ccccc3nc3ccccc23)c(=O)n(-c2ccccc2)n1C 4151258 VNNJMJFCBTYYKX-UHFFFAOYSA-N 380.451 4.929 10 40 GJCB CC1CCN(c2ccc([C@@H](C)NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)CC1 217894813 NVJYKJTXVGPURF-OPGJMIRHSA-N 393.487 4.722 10 40 GJCB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 217918774 BIRXNEIUDQUSOQ-HBYKMFCXSA-N 378.516 4.822 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2cccc(C)c2)cc1 408756250 YIULUYQETCDYIM-CJLVFECKSA-N 398.462 4.847 10 40 GJCB COc1ccccc1/C=C1/N=C(c2ccccc2F)N(c2ccc(C)cc2)C1=O 408765538 YJLQMSGLHULQHR-RCCKNPSSSA-N 386.426 4.977 10 40 GJCB O=C1NC(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 12377795 KCARIPIYMVAJGW-YBEGLDIGSA-N 397.912 4.682 10 40 GJCB COC(=O)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 20704304 DXIQTOOQVNHRSN-SNUQEOBHSA-N 384.819 4.861 10 40 GJCB CN(C)c1ccc([C@H](Nc2nccs2)c2ccc3cccnc3c2O)cc1 1088554 VAKNIWSLDYEJPW-SFHVURJKSA-N 376.485 4.664 10 40 GJCB COc1ccc(CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1 5371844 JOKWRKQRVNUWFQ-ATVHPVEESA-N 389.929 4.793 10 40 GJCB CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OC 409083929 OUXUMVJVBUPRCO-PGMHBOJBSA-N 398.462 4.928 10 40 GJCB COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1O 409332453 RPZYYUPCBJVWLP-RIYZIHGNSA-N 395.864 4.599 10 40 GJCB CN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S 4596656 LAHHOEUNNUXFEL-MDWZMJQESA-N 380.288 4.540 10 40 GJCB CCOc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)cc1OCC 23402558 BDMDFZDNSIDGIA-WQRHYEAKSA-N 384.863 4.944 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccc(C)cc2)cc1 408751836 CRVQBOPSGNMBHT-PXLXIMEGSA-N 386.426 4.977 10 40 GJCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1c(C)nn(-c2ccccc2)c1C 408756789 JKQFXZGUMWOPAA-KGENOOAVSA-N 399.498 4.824 10 40 GJCB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1 408891672 AUKCXHMCPFOQJB-QIQQCEGHSA-N 381.859 4.774 10 40 GJCB O=C1/C(=C/c2cccs2)SC(=S)N1c1ccccc1Br 1261647 MBHSGHFFMFNSBV-WQLSENKSSA-N 382.329 4.916 10 40 GJCB COc1ccc(Oc2coc3c(CN4CCC[C@H](C)C4)c(O)ccc3c2=O)cc1 5185287 WMLNZZILBDNROI-HNNXBMFYSA-N 395.455 4.531 10 40 GJCB O=C1S/C(=C/c2ccc(O)c(O)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 15008700 QDHWWTOZOYDKQJ-VIZOYTHASA-N 396.251 4.641 10 40 GJCB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 218972944 QYHDTIDSPIUPFO-WOJBJXKFSA-N 380.532 4.876 10 40 GJCB Fc1ccc(NC(=S)NCCCN2CCCc3ccccc32)cc1Cl 225745797 XUFNZWVDMPOPKU-UHFFFAOYSA-N 377.916 4.608 10 40 GJCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2cccc3ccccc23)S1 54164395 DCLKGXBCUFDTBF-UNOMPAQXSA-N 388.448 4.929 10 40 GJCB COc1cccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1OC(C)C 211910531 AYYGROJLCRHNPS-SFQUDFHCSA-N 385.510 4.888 10 40 GJCB CCOc1ccc(NC(=O)C(=O)c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1 15673752 BOWIPZJRDYGVLM-UHFFFAOYSA-N 390.483 4.931 10 40 GJCB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 217918849 BIRXNEIUDQUSOQ-CQTFCRGUSA-N 378.516 4.822 10 40 GJCB Cc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219289064 HGTNFZVNRKAMFJ-WOJBJXKFSA-N 380.532 4.876 10 40 GJCB COc1cc2c(cc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1)oc1ccccc12 11619275 QRFDDEFNIIFFPU-UHFFFAOYSA-N 391.383 4.553 10 40 GJCB COc1ccc2c(c1)CCCN2CCC(=O)Nc1c(Cl)cccc1Cl 22200176 XMCSVCKERARMOQ-UHFFFAOYSA-N 379.287 4.783 10 40 GJCB CCCCOC(=O)c1c2c(n3cc4ccccc4cc13)C(=O)c1ccccc1C2=O 3635765 AEMAUWYCZXBHLT-UHFFFAOYSA-N 397.430 4.825 10 40 GJCB O=C1OC2(CCCC2)OC(=O)C1=Cc1cccc(OCc2ccccc2Cl)c1 58865973 KLUDCGLJWUMTIJ-UHFFFAOYSA-N 398.842 4.673 10 40 GJCB CC(C)COc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1 59135898 HAEHRMGINYHCAL-LFIBNONCSA-N 398.459 4.532 10 40 GJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1Cl 101346664 FRHGADDKVJBXKL-ZROIWOOFSA-N 391.214 4.620 10 40 GJCB O=C1/C(=C\c2cccc(F)c2)SC(=S)N1CNc1cccc(Cl)c1 408822782 WCSYFSYKFWQFNA-OVCLIPMQSA-N 378.881 4.750 10 40 GJCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 5371863 SLWVCKWDLAKPLL-DHDCSXOGSA-N 389.885 4.752 10 40 GJCB O=[P@@](c1ccccc1)([C@@H](c1ccccc1O)N1CCCCC1)N1CCCCC1 6340955 VXUMUJVFHPVKKH-FIPFOOKPSA-N 398.487 4.966 10 40 GJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 8092257 NJRFFPBBAXEHTD-LBTNJELSSA-N 384.819 4.861 10 40 GJCB COCCn1c(-c2ccc(Cl)cc2)cnc1NCc1cc(Cl)ccc1O 4678756 BXEXSJJBTJRMLZ-UHFFFAOYSA-N 392.286 4.821 10 40 GJCB Cc1cc(C(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccccc1 6781051 HAIVKUPGLPCWEA-UHFFFAOYSA-N 397.272 4.678 10 40 GJCB CCc1ccc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(C)=C2C(=O)OC)cc1 409058168 ITLMQXYMASRIHN-KQRQPNSISA-N 375.468 4.683 10 40 GJCB O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1cccc(C(F)(F)F)c1 6623185 FWTCQPYLOXTLML-UHFFFAOYSA-N 384.404 4.630 10 40 GJCB O=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccc(C(F)(F)F)cc1 7505305 BJZMFCWCDLKEFN-UHFFFAOYSA-N 390.433 4.691 10 40 GJCB O=C1/C(=C/c2cc3ccccc3oc2=O)SC(=S)N1c1ccc(Cl)cc1 409339869 MBAQACNUKPHOBT-YBEGLDIGSA-N 399.880 4.852 10 40 GJCB COc1cccc(Oc2c(C)oc3c(CN4CCCCC4)c(O)ccc3c2=O)c1 20393963 HWNYPCUJIBONFL-UHFFFAOYSA-N 395.455 4.594 10 40 GJCB biogenic COC(=O)c1ccc(/C=C2/C=C(c3ccc4cc(OC)ccc4c3)OC2=O)cc1 408722905 ODDXRKRLMXSDOJ-JAIQZWGSSA-N 386.403 4.616 10 40 GJCB O=C1c2ccccc2C(=O)c2sc(Nc3ccc(Cl)c(Cl)c3)nc21 1622384 SGDPXYIMMVMCCY-UHFFFAOYSA-N 375.236 4.969 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 4499405 NJSWJFJLQVKKQT-JLPGSUDCSA-N 398.510 4.966 10 40 GJCB C[C@@H]1C[C@H]1c1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)o1 11915289 VKPKSQGVWPHTQO-KJHCXTEWSA-N 399.493 4.533 10 40 GJCB O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1cccc(F)c1 68732641 FZTSNUXSMBLFQE-UHFFFAOYSA-N 389.835 4.511 10 40 GJCB COc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 219501927 JDZULWSARDUKLS-OALUTQOASA-N 396.531 4.576 10 40 GJCB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(N3CCCCC3)c(F)c2)S1 260769186 KLPIOOAPLGQPGF-IPHXSNPTSA-N 396.535 4.800 10 40 GJCB Cc1ccc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)cc1[N+](=O)[O-] 408722089 DGFRZRIQORYWAP-ZSOIEALJSA-N 386.201 4.647 10 40 GJCB O=C1N=C(Nc2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(C(=O)O)cc1 35397586 QXXROIYPQHKKLY-AUWJEWJLSA-N 393.251 4.774 10 40 GJCB CC(=O)c1cccc(N2C(=O)/C(=C/C3=Cc4ccccc4OC3)SC2=S)c1 54360778 FBYRHSGFRGCKOC-GRSHGNNSSA-N 393.489 4.614 10 40 GJCB CCN(CC)c1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SC)nn32)cc1 102663034 STMVMXOESDGDOE-SFHVURJKSA-N 383.521 4.518 10 40 GJCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)C1 260466179 HFBLIWWXYSBMPM-DRRZOZHPSA-N 393.487 4.722 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 408796202 OLYCHTCTJLMNQU-MOSHPQCFSA-N 379.431 4.826 10 40 GJCB CCOc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1 409041956 WPDRZLNFJFQPSB-XYOKQWHBSA-N 396.315 4.587 10 40 GJCB Cn1c(/C=C2/SC(Nc3cccc4ccccc34)=NC2=O)nc2ccccc21 5236057 ARDJPHNFCQNUDH-CPNJWEJPSA-N 384.464 4.809 10 40 GJCB O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1C(=O)c1ccccc1Cl 107712634 UDGYVNDLLDXRND-LVEAOLTQSA-N 385.897 4.938 10 40 GJCB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 217919052 MUEQJKPAKGNPMZ-QICNTQJPSA-N 378.516 4.822 10 40 GJCB CN(C)c1ccc(CN2CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cc1 49169088 LOYKNCYHCFTYHJ-HNNXBMFYSA-N 388.437 4.637 10 40 GJCB biogenic,in-vitro O=[N+]([O-])c1ccc([C@H](Nc2nccs2)c2ccc3cccnc3c2O)cc1 1004568 VBMBLYPJQKXYQD-INIZCTEOSA-N 378.413 4.507 10 40 GJCB CN(C)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2Nc2ccccc2)cc1 16186343 XMZAVBNKZLYZEN-XLNRJJMWSA-N 382.467 4.608 10 40 GJCB CCN(CC)c1ccc2c(c1)OC(=O)N[C@]2(c1ccc(C)cc1)C(F)(F)F 26779903 CSTAHUFXOUPREX-IBGZPJMESA-N 378.394 4.749 10 40 GJCB CCN(CC)c1ccc(CN(C(=O)c2ccccc2OC)c2ccccn2)cc1 28289446 TVFBQOVZLNMSLU-UHFFFAOYSA-N 389.499 4.783 10 40 GJCB CCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(C)cc3C)C(=O)N=C2S1 41083348 CVRRYQVBPIPZFY-PALNNIJKSA-N 391.500 4.513 10 40 GJCB COc1cccc2c1O[C@H](c1ccc(C)o1)N1N=C(c3ccccc3O)C[C@H]21 102907445 WGQAQINZRNBPFZ-VGOFRKELSA-N 376.412 4.545 10 40 GJCB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cccc(Cl)c1 409013662 CIMFLXSQADAJMR-UNOMPAQXSA-N 381.859 4.834 10 40 GJCB COc1cc(SC)ccc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 7814273 SGISNOPBRYTEQH-UHFFFAOYSA-N 384.545 4.680 10 40 GJCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccco2)cc1 13554262 VTKMGSYJFSCPMA-JCTONOIOSA-N 396.531 4.634 10 40 GJCB FC(F)(F)c1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cc1 225424302 SSMBOLCMSROUHE-UHFFFAOYSA-N 379.451 4.792 10 40 GJCB COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1OC 408759489 FYUNJWKQFPARJI-RCCKNPSSSA-N 398.462 4.847 10 40 GJCB CCc1ccc(/C=C2\C(=O)N(c3cccc(SC)c3)C(C)=C2C(=O)OC)cc1 409387829 RJRGXIHNFQFOQX-MOSHPQCFSA-N 393.508 4.848 10 40 GJCB COc1cccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1 1416601 VKLWBNVHBZUKOB-OVCLIPMQSA-N 379.865 4.894 10 40 GJCB CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S 5564406 YOMUBHCFAJMQQL-WJDWOHSUSA-N 397.550 4.822 10 40 GJCB O=C1NC(=S)S/C1=C\c1cc(Cl)ccc1OCc1ccc(F)cc1 6221525 LZHOYZRUXMTTRY-NVNXTCNLSA-N 379.865 4.547 10 40 GJCB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S1 20037337 LMKQZKMTCHQPJT-PSVHDLGESA-N 396.903 4.915 10 40 GJCB Cc1cc(C(=O)Nc2cccc(Oc3cnccn3)c2)c(C)n1-c1ccccc1 33136328 SMVYQEWPNRRKAF-UHFFFAOYSA-N 384.439 4.929 10 40 GJCB O=C1OC2(CCCC2)OC(=O)C1=Cc1cccc(OCc2ccc(Cl)cc2)c1 58865978 JBINJCWCXLDCBX-UHFFFAOYSA-N 398.842 4.673 10 40 GJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3ccc(F)cc3)cc2)C1 218701512 FTRIVJBPWDFEJQ-KZNAEPCWSA-N 384.495 4.707 10 40 GJCB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(N3CCCC3)c(Cl)c2)S1 260778168 RFUMPHHEJSWRQP-VOBQZIQPSA-N 398.963 4.925 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccccc2F)cc1 408752256 HDLOIIWJCFVWGF-CPNJWEJPSA-N 378.428 4.730 10 40 GJCB O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCCc2ccccc21 7718726 BKNALRYUAPHYDU-UHFFFAOYSA-N 394.478 4.586 10 40 GJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)SC1=S 409376933 CEUXXGIQATZTPK-UNOMPAQXSA-N 393.537 4.863 10 40 GJCB COc1cc(/C=C2/SC(=S)N(c3ccc4ccccc4c3)C2=O)ccc1O 1301491 FCKUOVWGPUFDNJ-YBFXNURJSA-N 393.489 4.960 10 40 GJCB O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1c1ccccc1 1514144 LAPVWKFVFJODCR-GXDHUFHOSA-N 376.300 4.855 10 40 GJCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(C(=O)O)c3)C2=O)cc1 5174117 VCPQWUNWAPNKFW-XSFVSMFZSA-N 397.430 4.865 10 40 GJCB CO[C@@H](C(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1O)c1ccccc1 9260532 KFMAHVOPBGDRGX-GHTZIAJQSA-N 392.480 4.519 10 40 GJCB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccco2)cc1 13554260 VTKMGSYJFSCPMA-KIFXHHALSA-N 396.531 4.634 10 40 GJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1O 35040799 SKLYGYVRVQNGTQ-LDADJPATSA-N 385.510 4.759 10 40 GJCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/c1ccc(N(C)C)cc1 100163510 LQTLTCPSJZGSBM-SAPNQHFASA-N 390.512 4.949 10 40 GJCB CCCCC(=O)N[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12 4903411 XATDMGFEKQWBEG-JOCHJYFZSA-N 378.428 4.849 10 40 GJCB CCOc1ccc(NC2=NC(=O)/C(=C\c3c(F)cccc3Cl)S2)cc1 5781687 QLGGZJSOQFEMDZ-MHWRWJLKSA-N 376.840 4.960 10 40 GJCB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)N=C2S1 20037329 YTOVFCAKCXKGBZ-PRZRADHTSA-N 396.903 4.915 10 40 GJCB CC1CCN(Cc2c(O)c(O)c(CN3CCC(C)CC3)c3ccccc23)CC1 96305854 GZDQZNIZCWDFPG-UHFFFAOYSA-N 382.548 4.715 10 40 GJCB O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1 5201140 UFAILHPNCRYCQD-NTEUORMPSA-N 376.846 4.654 10 40 GJCB COc1ccccc1N1C(=O)/C(=C/c2ccc(OC(C)C)cc2)SC1=S 409335671 YHVYNLGCDNDWQC-PDGQHHTCSA-N 385.510 4.888 10 40 GJCB CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(OCC)c1 13476995 IPLHTTYLMFDKBV-LDADJPATSA-N 385.510 4.890 10 40 GJCB C[C@@H]1Cc2cc(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)ccc2O1 13813731 UMVUTQHBZIVKDF-HIPMGEKLSA-N 385.485 4.551 10 40 GJCB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 59959184 IWJMOSFZWSSXSU-BKUYFWCQSA-N 391.467 4.696 10 40 GJCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1c(Cl)cccc1Cl 408894928 SGXQAHCAQRVXPU-ZROIWOOFSA-N 382.287 4.712 10 40 GJCB COc1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 2112548 CEWVVOTZXUEIQM-UHFFFAOYSA-N 385.419 4.825 10 40 GJCB biogenic CCn1cc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)N=C2O)c2ccccc21 51325977 SDOHFGKMYDTTDO-CCNLRRDASA-N 387.439 4.725 10 40 GJCB COc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 1416639 LWIHAVQKBQIIBK-OVCLIPMQSA-N 379.865 4.894 10 40 GJCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)C(=N)N12 3858931 WMMQCHJDFONXRX-ONBPWHQPSA-N 390.512 4.878 10 40 GJCB COc1ccc(NC(=O)C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1Cl 6781042 PMFFDVHYPDRCKU-UHFFFAOYSA-N 396.874 4.886 10 40 GJCB CCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1O[C@@H](C)C(=O)OCC 633850 WYQMJFINVLCCND-HNNXBMFYSA-N 380.440 4.743 10 40 GJCB COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCCC[C@@H]3C(F)(F)F)c2C)cc1 27881776 TUHXNOHOGKPZDW-OALUTQOASA-N 394.437 4.954 10 40 GJCB COc1ccccc1/C=C1/N=C(c2ccc(F)cc2)N(c2ccc(C)cc2)C1=O 408764810 NIAZBKFXYSWXTI-RCCKNPSSSA-N 386.426 4.977 10 40 GJCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(OC)c1)N2 14479240 OBOMMIQNQCIMBK-JLHGSKIFSA-N 379.456 4.707 10 40 GJCB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)o1 17146077 PJKOSSHMRUAAGZ-ZHZULCJRSA-N 386.407 4.539 10 40 GJCB COc1ccc(/C=C2/C=C(c3ccc4cc(OC)ccc4c3)OC2=O)c(OC)c1 408723210 RCOJZMMNJLPCCW-ODLFYWEKSA-N 388.419 4.847 10 40 GJCB Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc(C(F)(F)F)c2)C3=O)cc1 2944679 XNMVTRFKFKGLCK-UHFFFAOYSA-N 398.340 4.881 10 40 GJCB O=C1N=C(Nc2ccccc2C(F)(F)F)S/C1=C\c1ccc([N+](=O)[O-])cc1 5551426 YMZBNAGOLPTMBW-ZROIWOOFSA-N 393.346 4.696 10 40 GJCB Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)c1C 222744168 KSMGMRZRWDTYEW-VXKWHMMOSA-N 390.556 4.708 10 40 GJCB CCc1ccc(O[C@@H](CC)C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 222893917 NFDMSSORCXUDPB-QHCPKHFHSA-N 380.532 4.713 10 40 GJCB CN(C)c1ccc([C@@H](Nc2nccs2)c2ccc3cccnc3c2O)cc1 1088555 VAKNIWSLDYEJPW-GOSISDBHSA-N 376.485 4.664 10 40 GJCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CSCc3ccccc3)c2C)cc1 2661978 QHBHIIDKBOXHIS-UHFFFAOYSA-N 393.508 4.997 10 40 GJCB COc1ccc(C[C@H]2SC(=S)N(CCC3CCCC3)C2=O)cc1Cl 8161538 NLGOSOILOSJLRZ-MRXNPFEDSA-N 383.966 4.700 10 40 GJCB Cc1ccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2c2cccc(C)c2)cc1 408763926 GLGWUHBGFNCKMM-PXLXIMEGSA-N 396.446 4.836 10 40 GJCB COc1ccc2c(c1)N(c1ccccc1)/C(=C1/SC(=S)N(C)C1=O)S2 4891392 XOWJNUIFVKQRMJ-ICFOKQHNSA-N 386.523 4.598 10 40 GJCB CC(=O)c1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)cc1 5371533 YTWSYZGWYIJWBQ-ODLFYWEKSA-N 392.505 4.787 10 40 GJCB O=C(/C=C/c1c(Cl)nc2ccccn12)N(Cc1ccco1)c1ccccc1F 95948654 LSESEXZJZVJQAL-ZHACJKMWSA-N 395.821 4.966 10 40 GJCB O=S(=O)(Nc1nc(-c2cccs2)cs1)c1cccc(C(F)(F)F)c1 3363611 RLCLSNZUSLTQAO-UHFFFAOYSA-N 390.433 4.691 10 40 GJCB CC1(C)C[C@@H]2C[C@](C)(CN2Cc2c(O)ccc3c4c(c(=O)oc23)CCCC4)C1 101089994 SCSBZQIUAIKSBS-MYYSRTQBSA-N 381.516 4.778 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccccc1OC(F)(F)F 112119452 RZDFGHGSKGZDGB-ATVHPVEESA-N 375.350 4.694 10 40 GJCB CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 222866037 KDLMNJRJHNKZQW-SELNLUPBSA-N 380.532 4.958 10 40 GJCB Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)c(Br)c2C)cc1 947562 ZPVDAIJZXCHODG-UHFFFAOYSA-N 398.322 4.696 10 40 GJCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 4309550 GPVNEYGIFCJEQU-TXPKVOOTSA-N 381.388 4.728 10 40 GJCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3C)N21 222676347 HDPNXQQEDUUBRD-MTNREXPMSA-N 392.572 4.970 10 40 GJCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C 222782115 IGDRGWPZVALXBE-YADHBBJMSA-N 390.556 4.790 10 40 GJCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/c1c(C)nn(Cc2ccccc2)c1C 408996353 DEEYLSOLULSKSU-OEAKJJBVSA-N 398.510 4.971 10 40 GJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cccc(OC)c1OC 103919332 HKZDXUONOWPRMR-ZHZULCJRSA-N 397.450 4.732 10 40 GJCB CC1CCN(c2ccc([C@H](C)NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)CC1 217929933 QBIMLCWTZNEZHR-MUFCHLESSA-N 392.499 4.542 10 40 GJCB Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1[N+](=O)[O-] 217942102 NWGHTYIDUTXHAG-KRWDZBQOSA-N 381.476 4.631 10 40 GJCB Cc1cc(N2CCCC2)c(F)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222589509 TZLQGSPUUHLXKQ-IWMITWMQSA-N 396.535 4.719 10 40 GJCB Cc1cc(C=C2C(=O)OC(C)(C)OC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 408756202 OLESMVXTUARPTJ-UHFFFAOYSA-N 394.254 4.620 10 40 GJCB CSc1cccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)c1 409329629 GNASQTKOKVKGHN-OQLLNIDSSA-N 388.495 4.723 10 40 GJCB O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1ccc(Br)cc1 1214283 HKZATHNOABFWKS-NTEUORMPSA-N 392.299 4.561 10 40 GJCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 13615406 YQZKOUOSWQKKJB-JTDSTZFVSA-N 381.388 4.728 10 40 GJCB O=C1N=C(O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1Cc1ccco1 17028017 IBOPKISDVWVFFQ-MHWRWJLKSA-N 396.786 4.695 10 40 GJCB CC1=CC(=Cc2sc3ccccc3[n+]2C)C=C(C)N1CCCCCC(=O)O 94992605 SYCQWDVNPZFAEV-UHFFFAOYSA-O 383.537 4.877 10 40 GJCB CCN(CC)c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(OC)c1 260755927 CIYDLICFNYSYRJ-GQWLDOHISA-N 396.560 4.526 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Br)c1O 408901595 GSLJDXAIXMYUGQ-RIYZIHGNSA-N 391.652 4.614 10 40 GJCB CCCN1C(=O)/C(=C\C=C2/Sc3ccc(OC)cc3N2CC)SC1=S 4859542 AWDZPOABZBOKHZ-MICXRRPDSA-N 392.571 4.623 10 40 GJCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@H]3C=CC[C@H]32)cc1 32192962 QYZDSMOCENWUBF-IYOUNJFTSA-N 383.831 4.651 10 40 GJCB COc1cccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)N=C2O)c1 33316790 DZWCAVIQLACTJD-JYRVWZFOSA-N 391.210 4.509 10 40 GJCB O=C1N=C(O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N1c1cccc(F)c1 8766936 ZFKNCNVXZQVOLD-BOPFTXTBSA-N 394.333 4.732 10 40 GJCB N=C1/C(=C/c2ccc(OCc3ccccc3)c(Cl)c2)C(=O)N=C2SC=CN12 20032202 LVUXQJZTAYGWEV-HUHIGAQKSA-N 395.871 4.696 10 40 GJCB COc1ccc(N2CCCN(C(=O)Nc3cccc([C@H](C)SC)c3)CC2)cc1 67580056 FPQXYBMPRCFIGY-KRWDZBQOSA-N 399.560 4.863 10 40 GJCB CCOc1ccc2nc(N/C=C3\C(=O)N(c4ccc(C)cc4)N=C3C)sc2c1 100552372 MKWVCRKYSMZILD-ATVHPVEESA-N 392.484 4.722 10 40 GJCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C 222782375 YQEJXTXVQXTNCP-YADHBBJMSA-N 390.556 4.790 10 40 GJCB CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3ccccc3O)C[C@@H]21 227486701 JRAKMLXXLKDSLP-JTSKRJEESA-N 376.412 4.626 10 40 GJCB Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccccc3[N+](=O)[O-])c(O)c2n1 4151015 NGFANJMUYJCQEL-OAQYLSRUSA-N 386.411 4.754 10 40 GJCB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(/N=N/c2ccccc2)cc1 13027469 CFAVIBBONXKMLD-QURGRASLSA-N 395.440 4.909 10 40 GJCB CCCCN1C(=O)N=C(O)/C(=C/c2c(-c3ccccc3)[nH]c3ccccc23)C1=O 38169881 MLNVIERGRSPTPG-JXAWBTAJSA-N 387.439 4.937 10 40 GJCB CCCCOc1ccc(/C=C2/C=C(c3ccc(OC)cc3OC)OC2=O)cc1 408722577 LDCYMJQXBJDPJX-LGMDPLHJSA-N 380.440 4.864 10 40 GJCB COc1cccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(F)cc3)C2=O)c1 408760284 WCRMTIDKGKYJOK-PXLXIMEGSA-N 386.426 4.977 10 40 GJCB C/C(NCCc1ccc(F)cc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 17081689 OJFKEYQWPWDOIG-NKFKGCMQSA-N 399.469 4.683 10 40 GJCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OC 60512807 WUBFFRULVSEKLP-PDGQHHTCSA-N 385.510 4.808 10 40 GJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCCOc3ccccc3)cc2)C1 218726664 IMNBNLMIVFNSAH-WOJBJXKFSA-N 380.532 4.959 10 40 GJCB Cc1ccc2nc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)ccc2c1 12289315 QFZLAIYFKYMYRZ-UNOMPAQXSA-N 376.506 4.945 10 40 GJCB COc1cccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(C)cc3)C2=O)c1 408754498 QZTOWEPSTUIRHS-PXLXIMEGSA-N 386.426 4.977 10 40 GJCB COc1ccc(OC)c([C@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@H]3C=CC[C@@H]32)c1 4744269 NFQIZAIUORKUBD-JMERFSKESA-N 385.847 4.882 10 40 GJCB Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1-c1ccc(F)cc1 4895394 NYSMVEWFJAVBMK-UHFFFAOYSA-N 391.402 4.545 10 40 GJCB CN(C)c1ccc(/C=C2/SC(Nc3ccccc3C(F)(F)F)=NC2=O)cc1 6871474 PQMCSCJDAADJIZ-LFIBNONCSA-N 391.418 4.854 10 40 GJCB Cc1ccc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1Cl 408646062 NQCZTYIBQKSHHI-UHFFFAOYSA-N 396.874 4.851 10 40 GJCB COc1cc(C(=O)Nc2c3ccccc3nc3ccccc23)cc(OC)c1OC 5550024 FXGZNGNURBHEEG-UHFFFAOYSA-N 388.423 4.666 10 40 GJCB Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(Br)cc1 13799091 FVVCXLUNZYTBGH-DHDCSXOGSA-N 391.290 4.523 10 40 GJCB O=C(NCc1ccccn1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 42880946 FGGZBLMXYSHUBU-HSZRJFAPSA-N 383.451 4.529 10 40 GJCB CCOc1ccc2nc(N/C=C3\C(=O)N(c4cccc(C)c4)N=C3C)sc2c1 101346851 ZREMJQKEXRWPSO-ATVHPVEESA-N 392.484 4.722 10 40 GJCB O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2F)N1c1ccc(F)cc1 408763311 MQUKSFYLEYODGU-DEDYPNTBSA-N 378.353 4.938 10 40 GJCB COc1cc(C)c(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1C(C)C 409140308 DMDRVGSUQCNGFT-UNOMPAQXSA-N 394.496 4.527 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3c(C)[nH]c4ccccc34)SC2=S)cc1 1023092 ZCIALKBOJLRMQM-WOJGMQOQSA-N 380.494 4.891 10 40 GJCB COc1ccc(/N=N/c2[nH]cnc2C(=O)Nc2ccc(Cl)cc2)c(OC)c1 6420293 POXSZBYGWOVRFJ-WCWDXBQESA-N 385.811 4.748 10 40 GJCB CC(=O)c1ccc(N2C(=O)/C(=C\C3=Cc4ccccc4OC3)SC2=S)cc1 9419865 IGOVZMKSHDZFNR-YBFXNURJSA-N 393.489 4.614 10 40 GJCB COc1ccccc1/C=C1\SC(=S)N(Nc2nc3ccccc3s2)C1=O 9914779 BMOGUCKOVQGXHU-GDNBJRDFSA-N 399.522 4.533 10 40 GJCB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N3CCCCC3)cc2)S1 222607584 SLVQHVWLHPGQKV-HBGVWJBISA-N 378.545 4.661 10 40 GJCB Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2cnccc2C(F)(F)F)c1 1630011806 SOTMGLUGDQEPRG-UHFFFAOYSA-N 387.405 4.746 10 40 GJCB COc1ccc(OC)c(C2=C/C(=C/c3c(OC)ccc4ccccc34)C(=O)O2)c1 657174 IOBCJVGXRSFAKN-VBKFSLOCSA-N 388.419 4.847 10 40 GJCB COC(=O)c1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 13942799 WGLQHMMPQFKXDR-DHDCSXOGSA-N 389.885 4.532 10 40 GJCB O=C(c1ccccc1Br)N(Cc1ccco1)Cc1ccccc1O 71797578 PGDUKAUMLJITFF-UHFFFAOYSA-N 386.245 4.590 10 40 GJCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N(CC)CC)cc3)N21 260784205 VJKXSGDNWXCDNU-QMMLZNLJSA-N 380.561 4.907 10 40 GJCB CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)o2)SC1=S 3196404 HFEISZVMBWSRGI-BOPFTXTBSA-N 395.509 4.662 10 40 GJCB O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 6268997 UMPBAFUQJIDFJT-MHWRWJLKSA-N 383.835 4.731 10 40 GJCB Oc1ccccc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccncc1 6721634 KMGMZDOWWQGNPC-WIYYLYMNSA-N 377.831 4.683 10 40 GJCB CCCCN(Cc1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)C1CCOCC1 79049015 WWPCAPCBCCAIFH-UHFFFAOYSA-N 398.547 4.658 10 40 GJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1 222826541 KLEXGXRMMZIADJ-FGZHOGPDSA-N 390.556 4.870 10 40 GJCB CCN(CC)c1ccc(CNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 260760848 BJMYJKCDXOYAEC-FQEVSTJZSA-N 393.575 4.695 10 40 GJCB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccc(F)cc2)N1c1ccccc1 408759195 ZNECXOXPBAMDMG-XSFVSMFZSA-N 387.370 4.568 10 40 GJCB Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1cccc(Br)c1 408807367 CCXVXONORVMKLI-NVNXTCNLSA-N 391.290 4.523 10 40 GJCB Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccncc1 408960572 GXNKFXZMGYQFGM-CPNJWEJPSA-N 391.521 4.895 10 40 GJCB COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1 409344634 HSCHNHZWWAGUQK-VCHYOVAHSA-N 385.510 4.726 10 40 GJCB O=C1/C(=C/c2ccccc2Cl)SC(=S)N1CCOc1ccccc1 4680312 VSBXFDXBSQJXKY-VBKFSLOCSA-N 375.902 4.620 10 40 GJCB CCN(CC)c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)c1 260784271 VPMZQZFYZVJLTR-MAODMQOUSA-N 380.561 4.826 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccc(F)cc2)cc1 408757091 ZRSNTHKHAWZCLJ-CPNJWEJPSA-N 378.428 4.730 10 40 GJCB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)c1ccc(Cl)cc1Cl 5528419 MTRGBLCJDWMSES-UHFFFAOYSA-N 389.267 4.788 10 40 GJCB CC(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 58423233 UYJVCJJNGQUOHS-UHFFFAOYSA-N 381.863 4.958 10 40 GJCB Cc1cc(C)c2oc(-c3cc(NS(=O)(=O)c4ccccc4)ccc3O)nc2c1 13690344 HPDKCHVQXQAABO-UHFFFAOYSA-N 394.452 4.618 10 40 GJCB COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 14465680 GQWLRWQSMNRAFV-KNKQGSTJSA-N 396.918 4.933 10 40 GJCB COc1ccccc1Oc1coc2c(CN3CCCC[C@@H]3C)c(O)ccc2c1=O 20394732 UXQROXIAEXJEEX-HNNXBMFYSA-N 395.455 4.674 10 40 GJCB biogenic O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 40123025 FMYDOOKPIVNMLK-OAHLLOKOSA-N 395.286 4.912 10 40 GJCB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 226738376 YKTMGXJAGUUQLA-LPMFXHHGSA-N 384.819 4.861 10 40 GJCB COc1ccccc1/C=C1/N=C(c2ccccc2OC)N(c2ccc(C)cc2)C1=O 408842133 MKMAGFXHFUBNRZ-LTGZKZEYSA-N 398.462 4.847 10 40 GJCB Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)c3ccc(F)c(F)c3)c2C)cc1 8343201 OBQYMVSSYQYTJD-UHFFFAOYSA-N 383.394 4.720 10 40 GJCB COc1ccc(-c2c(C)oc3c(CN4CCC[C@H](C)C4)c(O)ccc3c2=O)cc1 20411782 XLIOEUNETUEZEJ-HNNXBMFYSA-N 393.483 4.715 10 40 GJCB biogenic CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1c(C)cc(C)cc1[N+](=O)[O-] 95471500 SMDLGWBZHFXJHF-WQRHYEAKSA-N 378.432 4.547 10 40 GJCB CC1CCN(c2ccc([C@@H](C)NC(=S)Nc3ccc4c(c3)OCO4)cc2)CC1 225654810 XITCSNHMOJEFIL-MRXNPFEDSA-N 397.544 4.699 10 40 GJCB Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccccn1 409242518 VLAOPJFXHSRZNE-UYRXBGFRSA-N 389.480 4.726 10 40 GJCB CCCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(OCC)cc1)C3 2113618 WTXSZYYDDNYRNV-UHFFFAOYSA-N 379.456 4.891 10 40 GJCB biogenic CC(=O)Oc1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1Br 4738848 VTAYUOIULVPCIF-CXUHLZMHSA-N 399.240 4.664 10 40 GJCB CC(C)n1ncc2c(-c3ccc(O)c(O)c3)c3oc4cc(O)ccc4c3nc21 96114693 YYCZTTLYVCRIHK-UHFFFAOYSA-N 375.384 4.695 10 40 GJCB biogenic Cc1c(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cccc1[N+](=O)[O-] 217876008 HHKOZKNMGZRCJK-QGZVFWFLSA-N 381.476 4.631 10 40 GJCB CCc1ccccc1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c1C 4106996 MGMQIGVIZOQOOC-JCMHNJIXSA-N 399.494 4.749 10 40 GJCB Brc1ccc2nc(-c3ccco3)c(Nc3ccc4c(c3)OCO4)n2c1 4597426 VMYPNMNWLWORAS-UHFFFAOYSA-N 398.216 4.829 10 40 GJCB CC(=O)Oc1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)c(OC(C)=O)c1 4993976 UEIOBTMSWHXVOH-YZZKKUAISA-N 377.440 4.672 10 40 GJCB COc1ccc(N2C(=O)/C(=C/C=C/c3ccc(N(C)C)cc3)SC2=S)cc1 33395114 RTQIALWBDZNZSA-SDQPKSGYSA-N 396.537 4.723 10 40 GJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1Cl 100922833 WFGFKGPBSLVKQM-YBEGLDIGSA-N 384.823 4.584 10 40 GJCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1cccc(F)c1 6307897 LSMRGUORNBURQJ-ZHZULCJRSA-N 387.410 4.856 10 40 GJCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)OC)c3[C@H]3C=CC[C@@H]32)cc1 8101628 GVSYVNJYFGNIHH-DOXZYTNZSA-N 397.858 4.740 10 40 GJCB O=[N+]([O-])c1cc(Cl)cc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c1O 12618245 GSDFGRKPOLEWNG-HXUWFJFHSA-N 392.802 4.943 10 40 GJCB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1 1107729 REXRXDSGTFAYMO-ZSOIEALJSA-N 376.846 4.654 10 40 GJCB CCN1C(=O)/C(=C/C=C2/Sc3ccc4ccccc4c3N2C)SC1=S 3466059 MIFRCKDRWGNRHG-MBKDJOQRSA-N 384.551 4.987 10 40 GJCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1 6179986 PMASITAHIREIJM-GLJUWKHASA-N 384.819 4.861 10 40 GJCB O=C1/C(=C\c2ccc3ncccc3c2)SC(=S)N1CCc1ccccc1 9422292 PQDFMYNBDMDPTJ-XMHGGMMESA-N 376.506 4.679 10 40 GJCB COc1ccc(C2=C/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)O2)cc1 59425969 DZXRRPGBCFVJGY-QINSGFPZSA-N 389.363 4.845 10 40 GJCB CCc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(C)=C2C(=O)OC)cc1 409060999 BHCWHSBAGQQAFK-STZFKDTASA-N 375.468 4.743 10 40 GJCB CCc1ccccc1N1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S 4700300 MKGTUPWRGWFHME-PDGQHHTCSA-N 385.510 4.672 10 40 GJCB CN(C)c1ccc(N2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)cc1 6273037 YODILJITDKDCHN-MHWRWJLKSA-N 392.908 4.951 10 40 GJCB CC(C)Oc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 6804324 LFJWCELBQJQVED-UHFFFAOYSA-N 392.499 4.975 10 40 GJCB COC(=O)c1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 970611 WGLQHMMPQFKXDR-OQLLNIDSSA-N 389.885 4.532 10 40 GJCB COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(F)cc3)C2=O)cc1 408761437 KGNKJKXWARNSRI-PXLXIMEGSA-N 386.426 4.977 10 40 GJCB Cn1c(-c2cccc(Br)c2)cnc1NCc1cc(Cl)ccc1O 4678210 NNQHBIMBBILUMZ-UHFFFAOYSA-N 392.684 4.821 10 40 GJCB COc1ccc(C[C@@H]2SC(=S)N(CCC3CCCC3)C2=O)cc1Cl 8161551 NLGOSOILOSJLRZ-INIZCTEOSA-N 383.966 4.700 10 40 GJCB CCOc1cccc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2O)c1 33316230 YKQYZIDQRQHIQQ-YBEGLDIGSA-N 384.819 4.554 10 40 GJCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1O[C@@H](C)c1ccccc1 41077616 OBCYSJSNSKOGJF-CYUIRQCWSA-N 385.510 4.666 10 40 GJCB Cc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)c(C)n1-c1ccc(Cl)cc1 58865735 JGMBWBNLWGBCTF-UHFFFAOYSA-N 399.874 4.891 10 40 GJCB Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C 218721593 UIKPXNPDZBMFFX-FQEVSTJZSA-N 380.532 4.796 10 40 GJCB O=C1/C(=C\c2ccc([N+](=O)[O-])o2)SC(=S)N1c1cccc2ccccc12 13546295 PAGGCRBRSZOAQE-XNTDXEJSSA-N 382.422 4.747 10 40 GJCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(OC)cc1 6050331 MUNNCUIYIWQHEH-QNGOZBTKSA-N 399.446 4.726 10 40 GJCB COc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2ccccc2Cl)c1C 6781023 LJQCGADHPLDNKJ-UHFFFAOYSA-N 382.847 4.578 10 40 GJCB COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 14465692 LHCOLEJQIBOSJN-LQWHRVPQSA-N 382.891 4.543 10 40 GJCB CCn1cc(/C=C2\C(=O)N(c3ccccc3Cl)C(=O)N=C2O)c2ccccc21 33332489 RGVWRRGWMAHFES-PTNGSMBKSA-N 393.830 4.821 10 40 GJCB CCc1ccccc1N1C(=O)/C(=C\c2ccc(OC)cc2OC)SC1=S 35198668 LRCFRANIMGDXRU-WOJGMQOQSA-N 385.510 4.672 10 40 GJCB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)cc1 409068060 SOUQAQSVJWGBGU-MOSHPQCFSA-N 396.487 4.971 10 40 GJCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3c(Cl)cccc3Cl)C2=O)cc1 982325 GQZDYKMVXCYNQZ-UKTHLTGXSA-N 391.210 4.509 10 40 GJCB C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2ccccc21 3646595 KLSFETDKCPYEJH-AQRZYSDFSA-N 399.494 4.535 10 40 GJCB FC(F)(F)Oc1ccc(N2CC[C@@H](CNc3nc4ccccc4o3)C2)cc1 84600427 YGJULBXUACVQRG-ZDUSSCGKSA-N 377.366 4.665 10 40 GJCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)cc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc1 6640517 DFZANHVSCRYEGL-VKJFTORMSA-N 383.831 4.651 10 40 GJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1O 5372065 SKLYGYVRVQNGTQ-PDGQHHTCSA-N 385.510 4.759 10 40 GJCB COc1ccc(-c2c(C)oc3c(CN4CCC(C)CC4)c(O)ccc3c2=O)cc1 20411866 KPPSROAKKZWYBU-UHFFFAOYSA-N 393.483 4.715 10 40 GJCB biogenic Cc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2CC(C)C)cc1 44085817 IYPWQMRVBSVGNI-UHFFFAOYSA-N 384.505 4.542 10 40 GJCB COc1cc(C)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1C(C)C 409085522 SIQDNHHYXPUSOM-PACYTGELSA-N 391.558 4.507 10 40 GJCB CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)N=C2S1 33709447 QHGPVUGFTDWFRX-GAGNZYIBSA-N 391.500 4.513 10 40 GJCB CCc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OC)SC2=S)cc1 35038970 SPLFPFJJTDIOCH-SFQUDFHCSA-N 385.510 4.672 10 40 GJCB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1cccc(Br)c1 1257687 HHBILYJAASNZAK-ZSOIEALJSA-N 394.290 4.994 10 40 GJCB Cc1cc(C(=O)[C@@H](C)Sc2nnc(C)n2C2CC2)c(C)n1-c1ccccc1 6993367 ZNONNJPTONPFHP-OAHLLOKOSA-N 380.517 4.692 10 40 GJCB CC1=CC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=N)N2O1 20236926 OBTYSESENNPISW-WAJQDEFNSA-N 394.862 4.506 10 40 GJCB Cc1ccc(OCCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1 26675909 GXIMMAAQSQAEPY-RGEXLXHISA-N 399.537 4.674 10 40 GJCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1c(F)cccc1Cl 59959388 QKRHZSLMUVWWDJ-GZTJUZNOSA-N 399.849 4.660 10 40 GJCB CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)c1C 103604785 LYZDLFHYFZXIBV-IKTSRZDXSA-N 390.512 4.824 10 40 GJCB Cc1c(/C=C2/SC(=S)N(C)C2=O)c2ccccc2n1Cc1ccccc1 409331744 PHEZTPKSRXARPC-XDHOZWIPSA-N 378.522 4.829 10 40 GJCB CCOc1ccc(/C=C2\SC(Nc3ccccc3CC)=NC2=O)cc1OC 5213995 ZKOSFZIQGPFOPL-UYRXBGFRSA-N 382.485 4.739 10 40 GJCB O=C1N=C(Nc2ccccc2)S/C1=C\c1ccccc1OCc1ccccn1 12538583 JHFOBMFNVSULAJ-ZHZULCJRSA-N 387.464 4.743 10 40 GJCB Cc1ccc(C)c(OCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 218951585 TYPHAZICGSHAMN-FQEVSTJZSA-N 380.532 4.796 10 40 GJCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(C)C3=O)c2C)cc1 408814481 HCDPDRMJJFOBNA-UYRXBGFRSA-N 383.517 4.606 10 40 GJCB O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccccc2F)N1c1ccccc1 408844890 VFKUYCOLZFQPNW-XMHGGMMESA-N 387.370 4.568 10 40 GJCB O=C(CNC(=O)OCc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 408999980 DJDDEBZVQAWBMQ-OCEACIFDSA-N 388.427 4.967 10 40 GJCB COc1ccc(CCN2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 5371496 CGDJOICZHFEHCI-UNOMPAQXSA-N 394.521 4.620 10 40 GJCB COc1ccc([C@@H]2N=C(c3ccc(F)cc3)C[C@H](c3ccccc3O)N2)cc1 80325053 ZEDFSBQGAYMBFW-FYYLOGMGSA-N 376.431 4.762 10 40 GJCB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N2CCCCC2)cc1 20040466 ISELJTDIHDIAOP-HXUWFJFHSA-N 386.923 4.804 10 40 GJCB O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1c1cccc(Br)c1 33330546 HHBILYJAASNZAK-RIYZIHGNSA-N 394.290 4.994 10 40 GJCB COc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 219306329 VWPVPWFJFCUBMP-GUDVDZBRSA-N 396.531 4.576 10 40 GJCB CCOc1c(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cccc1OC 409346046 MVBSLKSKXJHQTN-YBEGLDIGSA-N 389.473 4.639 10 40 GJCB CNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 409378149 MQWIZMAFULLXTN-JTDSTZFVSA-N 383.289 4.635 10 40 GJCB COc1ccc(-c2csc(S[C@@H]3C(=O)N(c4ccccc4)N=C3C)n2)cc1 646865 NQPGWICUYJAASN-SFHVURJKSA-N 395.509 4.702 10 40 GJCB CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 16688868 IRSRXODJXFTJSN-JYRVWZFOSA-N 376.199 4.708 10 40 GJCB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc21 208220077 NXNGYILHSVKAKD-SMEDBKPVSA-N 389.499 4.502 10 40 GJCB COc1ccc(C2=C/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)O2)cc1 408741831 LJKHFWDWZPGGEZ-SFQUDFHCSA-N 388.375 4.635 10 40 GJCB O=C1N=C(Nc2cccc(C(F)(F)F)c2)S/C1=C/c1ccc2c(c1)OCO2 8564640 HEHTWFLAZIOPDD-VIZOYTHASA-N 392.358 4.517 10 40 GJCB Fc1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)cc1Cl 225416817 ZRRLFPWRRIMONV-UHFFFAOYSA-N 377.916 4.956 10 40 GJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1N1CCCC1 260769103 KEFZTZMQWLSRCJ-MAODMQOUSA-N 378.545 4.580 10 40 GJCB O=C1N=C(O)/C(=C\c2ccc3c(c2)Cc2ccccc2-3)C(=O)N1c1ccccc1 2286576 GHVNKFXAWRHKMP-FYJGNVAPSA-N 380.403 4.765 10 40 GJCB O=C1/C(=C/c2ccc3c(c2)OCCO3)SC(=S)N1c1ccc(Cl)cc1 2549293 SAKNCVHTSCGFAH-YBEGLDIGSA-N 389.885 4.517 10 40 GJCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C\C=C\c1ccccc1[N+](=O)[O-] 13381910 ZMPZYKOXLIUFHU-KEBRMTTGSA-N 390.424 4.567 10 40 GJCB O=C1/C(=C/c2ccc(Cl)c(Cl)c2)C(O)=NC(=S)N1c1ccccc1F 59135731 NWOPQYFDFHAGBY-JXMROGBWSA-N 395.242 4.804 10 40 GJCB COc1ccc(CN/C(C)=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 112124710 BXRNJVGBOMPUFM-NKFKGCMQSA-N 397.478 4.510 10 40 GJCB Cc1ccccc1N1C(=O)/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)SC1=S 5214859 BQZWBIFWZNAQSF-QVOHYOOSSA-N 382.466 4.865 10 40 GJCB CC(=O)c1cccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)c1 5371535 ULNJTBLDLJXDIH-ODLFYWEKSA-N 392.505 4.787 10 40 GJCB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 6003050 ALZJUYNYMOIOMT-HPUUJOOBSA-N 388.470 4.855 10 40 GJCB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 6950524 GKXXLJVBDKWXLL-LPMFXHHGSA-N 384.819 4.861 10 40 GJCB COc1ccc(CNC2(c3ccccc3F)CCCC2)cc1Cn1cccn1 12328296 CPNSBUWMDRFLKC-UHFFFAOYSA-N 379.479 4.638 10 40 GJCB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260577652 IKUVNXUMIKWATF-SLFFLAALSA-N 380.532 4.876 10 40 GJCB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccc(Cl)cc1Cl 408997438 OQWKCTADGYWAHA-NSIKDUERSA-N 383.325 4.890 10 40 GJCB CCCCOc1ccc(/C=C2\SC(=S)N(C(C)(C)C)C2=O)cc1OC 5371412 VKOZNKZQFIQVSW-VBKFSLOCSA-N 379.547 4.874 10 40 GJCB COc1cc(/C=C2/C=C(c3ccc(C(C)C)cc3)OC2=O)cc(OC)c1OC 5413601 ORJJXBZUTTZJGB-ZDLGFXPLSA-N 380.440 4.817 10 40 GJCB C=CCN1C(=O)/C(=C/c2cc(Cl)c(O[C@H](C)CC)c(OC)c2)SC1=S 33784960 WMBIOESTCGBOBK-MKVLZVNKSA-N 397.949 4.913 10 40 GJCB COC(=O)c1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccccc3)C2=O)cc1 408762700 LZPLFOGRWIFKKR-CJLVFECKSA-N 396.446 4.616 10 40 GJCB O=C(c1ccccc1)c1ccccc1NC[C@@H](O)COc1cccc2ccccc12 1585943 WOMFQWGHVQZVNY-OAQYLSRUSA-N 397.474 4.923 10 40 GJCB Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)c(C)n1-c1ccccc1 23223764 SXXFQZCGHMWNGW-XSFVSMFZSA-N 385.423 4.601 10 40 GJCB COc1ccccc1/C=C1/N=C(c2ccccc2F)N(c2cccc(C)c2)C1=O 408757076 WMIKBUUHNZKNTC-RCCKNPSSSA-N 386.426 4.977 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccc(F)cc2)cc1 408847192 ZYKHHAVEFHVCJX-PXLXIMEGSA-N 386.426 4.977 10 40 GJCB Oc1ccc(Br)cc1C1=NN[C@@H](c2ccc(Cl)cc2Cl)C1 5024190 GIROBGULPFKKCR-CYBMUJFWSA-N 386.076 4.900 10 40 GJCB biogenic CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccccc3OC)SC2=S)cc1 11640039 OWTPXNYHBGXCCS-XMHGGMMESA-N 398.553 4.947 10 40 GJCB COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccccc3Cl)C2=O)c1 1239793 OJGYVOLJPQFVCH-MHWRWJLKSA-N 391.901 4.763 10 40 GJCB O=[N+]([O-])c1cccc([C@@H](Nc2nccs2)c2ccc3cccnc3c2O)c1 1463222 SBJMCERUBAHADF-MRXNPFEDSA-N 378.413 4.507 10 40 GJCB O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1c1cccc(Br)c1 5568481 RHCDDIQATXUCOS-ZSOIEALJSA-N 392.299 4.561 10 40 GJCB O=C1N=C(O)/C(=C/c2c[nH]c3ccccc23)C(=O)N1c1cccc(C(F)(F)F)c1 16956547 JCJTYKIOKLGLCK-NVNXTCNLSA-N 399.328 4.693 10 40 GJCB CCN1C(=O)/C(=C/c2ccc(N(CC)CC)c(Br)c2)SC1=S 33784876 KSFAPIKJVFYPIE-UVTDQMKNSA-N 399.379 4.516 10 40 GJCB O=C1/C(=C\c2ccc([N+](=O)[O-])s2)SC(=S)N1c1cccc(Cl)c1 9310463 BJYYRBDBWBBSTC-YRNVUSSQSA-N 382.875 4.716 10 40 GJCB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccccc1Sc1ccccc1)C(=O)C2=O 100860021 WLWZOZUZEZXMHK-DHIUTWEWSA-N 393.508 4.741 10 40 GJCB COc1cccc(NS(=O)(=O)c2cc(/N=N/c3ccccc3)ccc2OC)c1 104766316 KDXYAQRNOMQQMF-QURGRASLSA-N 397.456 4.920 10 40 GJCB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)n1-c1ccccc1 222853936 NGZUOHCJMRQWLC-RTWAWAEBSA-N 376.529 4.562 10 40 GJCB Nc1nn2c(=O)cc(-c3ccccc3)[nH]c2c1/N=N/c1cccc(C(F)(F)F)c1 4649649 FMQDIOMTPJXTJK-OCEACIFDSA-N 398.348 4.706 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC)cc1 13549385 FVXQLMBYCDBRNG-QNGOZBTKSA-N 391.467 4.661 10 40 GJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1Cl 222739343 VXZSPZGHOZPGMC-WOJBJXKFSA-N 396.947 4.745 10 40 GJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(Cl)c1 222739749 MWYNKCDRDOIHCQ-VQTJNVASSA-N 396.947 4.745 10 40 GJCB Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(-n2c(C)ccc2C)c1 408645967 NANJWFCLCSIBRM-UHFFFAOYSA-N 376.456 4.506 10 40 GJCB C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2ccccc21 3646590 KLSFETDKCPYEJH-JPOGYNCRSA-N 399.494 4.535 10 40 GJCB O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CCOc1ccccc1 9188353 XKISLKLTYNJGAR-VBKFSLOCSA-N 375.902 4.620 10 40 GJCB O=C1S/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccccc1F 106695973 SXVBMSGSJUECEE-UYRXBGFRSA-N 382.460 4.662 10 40 GJCB Cc1cc(N2CCCC2)c(C)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222594264 NLIQHNLRUFOJIW-MTNREXPMSA-N 392.572 4.888 10 40 GJCB COC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(-c4ccccc4)o3)C2=O)cc1 669995 FPDPKGBSWXAYRV-ZHZULCJRSA-N 386.407 4.539 10 40 GJCB COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(OC)c1 4591781 HKRXMEQTNYDVIH-LZYBPNLTSA-N 391.901 4.763 10 40 GJCB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S 5374234 BKCVHGHFSNVAFN-SYUOVUCNSA-N 377.531 4.511 10 40 GJCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3NN=C(c4ccccc4)S3)c2C)cc1 6961581 IHEHZCOZFGFQOE-OAQYLSRUSA-N 391.496 4.578 10 40 GJCB COC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21 4959460 AKNZEKOLMKDERA-UHYGZKCKSA-N 384.819 4.861 10 40 GJCB Cc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1Cl 9188643 RNEDFPPALNVNPN-NVNXTCNLSA-N 390.873 4.962 10 40 GJCB COc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C 6781024 XTGHYICXXVSJAU-UHFFFAOYSA-N 382.847 4.578 10 40 GJCB O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1C(=O)c1ccc(F)cc1 972781 IKPGBOBBFCMBIR-NTEUORMPSA-N 377.849 4.521 10 40 GJCB COc1ccc(/C=C2\SC(=S)N(Nc3nc4ccccc4s3)C2=O)cc1 5720388 XIGIBQTXHKWYEB-GDNBJRDFSA-N 399.522 4.533 10 40 GJCB O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(N2CCCCC2)cc1 10113059 UCPQDLYFUXHWQZ-UHFFFAOYSA-N 393.314 4.679 10 40 GJCB Cc1cccc(OCCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c1 26676031 DVPGXONCWPUQBN-RGEXLXHISA-N 399.537 4.674 10 40 GJCB Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1C 409234354 ZOBIPIGQKWZHIH-OEAKJJBVSA-N 399.494 4.804 10 40 GJCB Cc1cc(C)cc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)c1 409243126 YTLIOIOKIPGBJU-OEAKJJBVSA-N 399.494 4.804 10 40 GJCB COc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(Cl)ccc2OC)cc1 3672680 QUBPCVCXUJKEIH-UHFFFAOYSA-N 385.847 4.832 10 40 GJCB CCOc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 6804332 MHLQSRBREVJPNA-UHFFFAOYSA-N 378.472 4.587 10 40 GJCB Cc1nn(C(=O)c2ccncc2)c(C)c1/N=N\c1ccc(Br)cc1 104201093 FJFQDUPBDBOUQZ-MRCUWXFGSA-N 384.237 4.761 10 40 GJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccc(C)c(C)c1 4596795 NTVWBHOZKSWGGI-WOJGMQOQSA-N 384.277 4.784 10 40 GJCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3ccccc3)C2=O)cc1 17078287 GXTJMGTXFXNYPF-XLNRJJMWSA-N 383.451 4.832 10 40 GJCB CCCn1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)c2ccccc21 33332571 FLEUZOSQWCXRON-UYRXBGFRSA-N 387.439 4.554 10 40 GJCB CCN(CC)c1ccc(N/C=C2\C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1 100929763 ZHKFRTOVBRYUET-JCMHNJIXSA-N 376.504 4.868 10 40 GJCB O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1Cc1ccccc1 15009731 NBSZPSVARFCTPC-XNTDXEJSSA-N 390.327 4.851 10 40 GJCB O=C1/C(=C\c2cccn2-c2ccc(O)cc2)SC(=S)N1c1ccccc1 408962385 HYSUYZSAQLRRBJ-QGOAFFKASA-N 378.478 4.589 10 40 GJCB CCCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(CC)cc2)SC1=S 4746549 DFKNPKCWJGXIQU-VKAVYKQESA-N 391.558 4.574 10 40 GJCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccco2)cc1 13554256 VTKMGSYJFSCPMA-BGWNEDDSSA-N 396.531 4.634 10 40 GJCB CCOC(=O)CC1(c2ccc(-c3ccccc3)cc2)C(=O)c2ccccc2C1=O 59370376 YQXVMHVYSIVENS-UHFFFAOYSA-N 384.431 4.624 10 40 GJCB COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3cccc(C)c3)C2=O)cc1 408752332 DLRRQHAHCDSOJE-PXLXIMEGSA-N 386.426 4.977 10 40 GJCB CCOc1cccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1 409050769 ZNKMNTAFGGJALD-WQLSENKSSA-N 396.315 4.587 10 40 GJCB C=CCc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc(OCC)c1O 34869286 DPKPRBGUZARBJJ-AQTBWJFISA-N 380.469 4.602 10 40 GJCB CC/C(Nc1ccc(Br)cc1)=C1/C(=O)N(c2ccccc2)N=C1C 136054929 VSFSKOSEZYNWIA-ZCXUNETKSA-N 384.277 4.948 10 40 GJCB C[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(N2CCC[C@@H](C)C2)cc1 217930144 JRAKZVQEXSSXMO-XQLCALHGSA-N 392.499 4.542 10 40 GJCB CCOc1cccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1 260735389 HBTICGKXIGJBQT-KRWDZBQOSA-N 383.561 4.808 10 40 GJCB COc1ccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 408757609 AVZMNRRMUJHHPD-CJLVFECKSA-N 384.435 4.538 10 40 GJCB Cc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2cccc(C)c2)cc1 408762463 BHEBSVULGPHBNF-PXLXIMEGSA-N 396.446 4.836 10 40 GJCB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)SC2=S)cc1 409326576 CHCHGSVLNNNMEP-RGEXLXHISA-N 396.537 4.701 10 40 GJCB COc1ccc(OC)c(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c1 4749374 UUMYREWJOVDWMT-CYUIRQCWSA-N 385.510 4.666 10 40 GJCB COc1ccc2cc([C@H](C)C(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2c1 8780188 NLHZTBGOLXSEAR-KRWDZBQOSA-N 376.500 4.677 10 40 GJCB Cc1[nH]c2ccccc2c1/C=C1\SC(=S)N(c2cccc(C(=O)O)c2)C1=O 12625411 FZXKZVJTFWWGLD-YVLHZVERSA-N 394.477 4.580 10 40 GJCB Cc1[nH]c2ccccc2c1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O 59417978 CWPLRGQIQCUONU-YVLHZVERSA-N 395.465 4.790 10 40 GJCB COc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3Br)c2)cc1 216728130 QKPOKKAMKAFCIE-HXUWFJFHSA-N 399.288 4.784 10 40 GJCB CC1=CC(=Cc2sc3ccccc3[n+]2C)C=C(C)N1CCCn1ccnc1 12523747 BEUVZSCBADFZKI-UHFFFAOYSA-N 377.537 4.519 10 40 GJCB COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 13597774 YSWCYHAARAYDIZ-SXGWCWSVSA-N 391.901 4.763 10 40 GJCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cccc(Br)c3)C2=O)c(C)c1 59859833 FNZZBZXJVNMFEK-XNTDXEJSSA-N 399.244 4.573 10 40 GJCB CCCCOC(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)cc1 95471468 PLMFRIZBXBRKMI-QNGOZBTKSA-N 391.471 4.670 10 40 GJCB CCOC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)cc1 408946995 NGXMBPJJNPPPFB-UHFFFAOYSA-N 397.858 4.992 10 40 GJCB O=C1N=C(N2CCN(c3cccc4ccccc34)CC2)S/C1=C/c1ccccc1 950639 RFNUJXXVKYJWIG-OQKWZONESA-N 399.519 4.632 10 40 GJCB O=C1N=C(N2CCCCCC2)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 1462176 JOVWRTLOVOMXLB-AQTBWJFISA-N 397.456 4.701 10 40 GJCB Cc1cccc2nc3ccccc3c(Nc3ccc(NS(C)(=O)=O)cc3)c12 5009005 PGURMNOMVIGHJD-UHFFFAOYSA-N 377.469 4.812 10 40 GJCB CCCOc1ccc(/C=C2\C(=O)N(c3ccccc3Cl)C(=O)N=C2O)cc1 33398308 AWYCNYSLLONIDF-QINSGFPZSA-N 384.819 4.636 10 40 GJCB CCOc1ccc(Cl)cc1/C=C1/C(=O)N(c2ccc(C)cc2)C(=O)N=C1O 83292133 IMLDMEXFFDIEKO-LFIBNONCSA-N 384.819 4.554 10 40 GJCB CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C)c(OC)c2)SC1=S 1179616 CTIGPFJHJRYEMD-UNOMPAQXSA-N 399.537 4.804 10 40 GJCB COc1cc(O)c(CN2CCCC[C@@H]2C)c2oc(-c3ccccc3)cc(=O)c12 9183749 YZJFCFVBSKSLGN-HNNXBMFYSA-N 379.456 4.549 10 40 GJCB biogenic O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1cccc(F)c1 16399147 NDPZVLIQRGAIPV-ZSOIEALJSA-N 394.290 4.994 10 40 GJCB COc1ccc(/C=C2/SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)cc1O 96669491 XIOGVVRYLOSTRP-OVCLIPMQSA-N 394.374 4.502 10 40 GJCB O=C(CCSc1nnc(-c2ccco2)c(-c2ccco2)n1)c1ccccc1 2037834362 WPNGRUANFVMORO-UHFFFAOYSA-N 377.425 4.757 10 40 GJCB O=C1N=C(Nc2ccccc2)S/C1=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl 6816318 STXOAJHPCYVRNJ-AUWJEWJLSA-N 394.239 4.984 10 40 GJCB O=C1/C(=C/c2cccc3cccnc23)SC(=S)N1CCc1ccccc1 9576063 YNYXEPODPRAEMR-JXAWBTAJSA-N 376.506 4.679 10 40 GJCB O=c1cc(-c2ccccc2)c2cc(Cl)c(O)c(CNCc3ccncc3)c2o1 20567568 IFBUGLCJOQXGJD-UHFFFAOYSA-N 392.842 4.504 10 40 GJCB O=C1/C(=C\c2ccc(Br)cc2)C(C(F)(F)F)=NN1c1ccccc1 408970393 HDYFPBQBTJWFDJ-UVTDQMKNSA-N 395.178 4.798 10 40 GJCB COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc(Cl)c1O 409326708 DRKACQMUZVYZGJ-OQLLNIDSSA-N 391.901 4.768 10 40 GJCB COc1cccc2c1O[C@H](c1cccs1)N1N=C(c3ccccc3O)C[C@H]21 6721815 DIFXVNPYNFOGAX-IIBYNOLFSA-N 378.453 4.705 10 40 GJCB CCCn1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N=C2O)c2ccccc21 33329934 KOSUVKFFDPDTGB-UYRXBGFRSA-N 387.439 4.866 10 40 GJCB O=S(=O)(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc2nc(O)oc2c1 41125069 PFTKRIXBPBXYFW-QURGRASLSA-N 394.412 4.750 10 40 GJCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O 113834411 VPPDNOYFOUCEIK-YAXRHUFXSA-N 382.466 4.947 10 40 GJCB Cc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219289032 HGTNFZVNRKAMFJ-UXHICEINSA-N 380.532 4.876 10 40 GJCB COc1cc(C2=NN3[C@H](c4cccs4)Oc4ccccc4[C@H]3C2)ccc1O 248126363 GHOXFWFQDUSHAB-IERDGZPVSA-N 378.453 4.705 10 40 GJCB Cc1cc(N(CCO)CCO)ccc1/N=N/c1ccc(SC(F)(F)F)cc1 6626586 CDKIFKHCHYDPHH-GHVJWSGMSA-N 399.438 4.813 10 40 GJCB CC(C)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 65222419 SQQHUYYSBPCFCW-KRWDZBQOSA-N 383.561 4.694 10 40 GJCB Cc1cc(N2CCCC2)c(C)cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 260772374 NLIQHNLRUFOJIW-VOQZNFBZSA-N 392.572 4.888 10 40 GJCB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1=O 409137131 VFJHHUDKOLFABP-DEDYPNTBSA-N 398.528 4.900 10 40 GJCB COc1ccc(N2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)cc1 2404953 LDYINHSCQGYJTQ-UHFFFAOYSA-N 387.483 4.776 10 40 GJCB CCN(CC)c1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 3114518 GLSYOCWKDRZGSN-PDGQHHTCSA-N 399.288 4.640 10 40 GJCB CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3ccc(F)cc3)C2=O)cc1 33347410 YPYXAYZAEQMFHZ-UYRXBGFRSA-N 399.491 4.778 10 40 GJCB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)C1=O 409013166 LUYRGTKUYYOEIT-MBNTZHJCSA-N 398.484 4.627 10 40 GJCB CCCN1C(=O)/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC1=S 6655863 VXRSLNFOSVQIIS-VZUCSPMQSA-N 377.274 4.513 10 40 GJCB CCCCOc1ccc(/C=C2/C=C(c3cc(OC)ccc3OC)OC2=O)cc1 408723424 UKFGKEJPPICWKX-LGMDPLHJSA-N 380.440 4.864 10 40 GJCB COc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccc(F)cc2)cc1 408759344 CLPWEXKTNDLGCH-KGENOOAVSA-N 390.389 4.808 10 40 GJCB O=C1c2ccccc2C(=O)c2c1cc(Cl)c1nc3c4ccccc4nc-3oc21 4015382 OMIQFSKYVAJSKG-UHFFFAOYSA-N 384.778 4.910 10 40 GJCB CCc1cc2c(-c3ccccc3)cc(=O)oc2c(CN2CCC(C)CC2)c1O 5068601 YPOHTWYKEGDXIF-UHFFFAOYSA-N 377.484 4.960 10 40 GJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1nc2ccc(C)cc2s1 101350267 DKNGKAITLQFWST-GDNBJRDFSA-N 382.876 4.977 10 40 GJCB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 6950478 YKTMGXJAGUUQLA-BIENJYKASA-N 384.819 4.861 10 40 GJCB COc1ccccc1N1C(=O)S/C(=C\c2ccc(N3CCCC3)c(C)c2)C1=O 409061841 IXIBJUYDRQXQQV-ZHZULCJRSA-N 394.496 4.845 10 40 GJCB CCO[C@@]1(c2ccccc2)C[C@@H](c2ccccc2)C2(O1)C(=O)c1ccccc1C2=O 863736 INKRWDBAPNARHJ-DHLKQENFSA-N 398.458 4.898 10 40 GJCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccccc1O 5174099 KDKDRRKMEYAJLJ-NBVRZTHBSA-N 384.391 4.772 10 40 GJCB CSc1ccc(C2=C/C(=C3/SC(=S)NC3=O)c3ccccc3O2)cc1 2349779 USQCULIBCKTKML-VKAVYKQESA-N 383.519 4.701 10 40 GJCB COc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1Br 16948903 FTUUVALTDHGLDC-YVLHZVERSA-N 399.288 4.881 10 40 GJCB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(N3CCCCC3)cc2F)S1 260778446 RPDFQMPIONQKCM-IPHXSNPTSA-N 396.535 4.800 10 40 GJCB CCOC(=O)c1sc2nc(-c3ccc(OC)cc3)cc(-c3ccco3)c2c1N 4335388 BLWBDNVKTCFMNM-UHFFFAOYSA-N 394.452 4.991 10 40 GJCB O=C1N=C(Nc2cccc(Br)c2)S/C1=C\c1ccc(F)cc1 6925888 PWWQCVXMMWJKPK-ZSOIEALJSA-N 377.238 4.671 10 40 GJCB Cc1nc(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)nc(C)c1C 12694881 DEOAUWHVNJSNLA-UHFFFAOYSA-N 383.492 4.924 10 40 GJCB CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C/C=C\c1ccc([N+](=O)[O-])cc1 13401392 ZVLRRPQGJPIJSP-XHMMTXDMSA-N 375.428 4.983 10 40 GJCB O=C1/C(=C\c2ccc(OC(F)F)cc2)SC(=S)N1CCc1ccccc1 28296306 YQXVSCWFFAKSPZ-FOWTUZBSSA-N 391.464 4.732 10 40 GJCB CCN1CCc2ccccc2C1(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 36040274 FFMTXCSTHCOXSL-UHFFFAOYSA-N 399.582 4.989 10 40 GJCB CCc1ccc(N/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2C)cc1 17077022 HVFVXINSULGQBG-UYRXBGFRSA-N 376.485 4.967 10 40 GJCB CCOc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(O)cc3)C2=O)cc1 408767132 VZIZGACUFFWLAZ-XQNSMLJCSA-N 398.462 4.934 10 40 GJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NCCSc1ccc(C)cc1 4171187 SXZRRLUFSOYPBJ-HKWRFOASSA-N 397.519 4.903 10 40 GJCB O=[N+]([O-])c1cc(Cl)cc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c1O 12618249 GSDFGRKPOLEWNG-FQEVSTJZSA-N 392.802 4.943 10 40 GJCB C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(F)c(F)c3)cc2)C1 225691222 JRBGHLMKBMREOG-CQSZACIVSA-N 375.488 4.688 10 40 GJCB COc1cccc(/C=C2/N=C(c3ccccc3F)N(c3cccc(C)c3)C2=O)c1 408755395 NFMCFGUJKAZKEK-PXLXIMEGSA-N 386.426 4.977 10 40 GJCB CCN1C(=O)/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)SC1=S 409338462 KLHXLZUWBQLFHX-RIYZIHGNSA-N 393.873 4.519 10 40 GJCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccccc1F 409370167 MESLRYJFRNNOIH-RGEXLXHISA-N 387.410 4.856 10 40 GJCB O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1C1CCCCC1 5568425 AXQXRJXXKAXHES-UVTDQMKNSA-N 382.348 4.983 10 40 GJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 100495047 GIXCMCPDDGSURT-MHWRWJLKSA-N 375.653 4.909 10 40 GJCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1ccccc1Cl 103917868 DIAQDSZHDOQVDH-QNGOZBTKSA-N 397.906 4.915 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cccc(OC)c1 408988009 QCPGKJBEGYVSSL-STZFKDTASA-N 391.467 4.696 10 40 GJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 222899317 AXNYWNGVXLODJR-NHCUHLMSSA-N 376.529 4.563 10 40 GJCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)c(F)c3)N21 260753160 BOOFUGNAHNOUQS-CZAAIQMYSA-N 396.535 4.800 10 40 GJCB C=CCN1C(=O)/C(=C/c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)SC1=S 33784962 WMBIOESTCGBOBK-SAIXKJTDSA-N 397.949 4.913 10 40 GJCB Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1C 260453393 NXTTTYSGVPJMLW-PXNSSMCTSA-N 380.532 4.796 10 40 GJCB CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 409093077 XDKVRNIODIYGJS-CCRNYGKSSA-N 399.537 4.619 10 40 GJCB CC1CCN(c2ccc([C@@H](C)NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)CC1 217888514 LIHUUICTKJZYPT-PMQIGOLDSA-N 393.487 4.722 10 40 GJCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O 409232372 OILMZEYLEMOFIL-DEDYPNTBSA-N 398.528 4.784 10 40 GJCB CC(=C/c1ccccc1)/C=C1\SC(=S)N(c2cccc(C(=O)O)c2)C1=O 974437 NXEXHRSVNFRUDK-VHDJGTGISA-N 381.478 4.737 10 40 GJCB Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O 1417221 MZGYIBZAYZSAMN-XDHOZWIPSA-N 393.537 4.948 10 40 GJCB CCN(CC)Cc1cc(Nc2nc3ccccc3[nH]2)cc(CN(CC)CC)c1O 3094604 FBCPDXPDXMGGKS-UHFFFAOYSA-N 395.551 4.696 10 40 GJCB CCOc1ccc(NC2=NC(=O)/C(=C/c3ccc(Br)o3)S2)cc1 5809098 JHLJCFCFHARMOL-LCYFTJDESA-N 393.262 4.523 10 40 GJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccccc1Br 13575866 JWCMVRDDYZGDPB-UVTDQMKNSA-N 390.668 4.821 10 40 GJCB COc1ccccc1Oc1coc2c(CN3CCC[C@@H](C)C3)c(O)ccc2c1=O 20390863 KZVGKNAVBHUTEK-OAHLLOKOSA-N 395.455 4.531 10 40 GJCB biogenic COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2Cl)cc1 59230299 CDQJAZYTIIEJFG-CPNJWEJPSA-N 378.815 4.776 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(F)cc1 408895049 SWSWJKGSHBRJLB-PDGQHHTCSA-N 385.822 4.746 10 40 GJCB Cc1cc(C(=O)COC(=O)c2c(F)cccc2F)c(C)n1-c1ccc(F)cc1 4505817 BMJZEJQQMUYVLD-UHFFFAOYSA-N 387.357 4.551 10 40 GJCB COc1cccc(Oc2coc3c(CN4CCCC[C@H]4C)c(O)ccc3c2=O)c1 5219026 NKOSXXUTYNCMTD-OAHLLOKOSA-N 395.455 4.674 10 40 GJCB biogenic CCC1=NN2C(=N)/C(=C\c3ccc(-c4ccc(C)c(Cl)c4)o3)C(=O)N=C2S1 5857330 AOVYJVTXRHYHJV-CHLNCNNDSA-N 398.875 4.938 10 40 GJCB CCOc1ccc(NC(=O)C(=O)c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1 6781030 JNIMOYGEZFQNAM-UHFFFAOYSA-N 390.483 4.931 10 40 GJCB CCCN(CCC)CN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2)C1=O 19287153 VRHRFXALEYSARP-XDJHFCHBSA-N 389.565 4.649 10 40 GJCB CCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1 409232155 HFHAKTVPDGJULH-HZHRSRAPSA-N 399.494 4.749 10 40 GJCB CCCCC(=O)N[C@@H](c1ccccc1OC)c1cc(Cl)c2cccnc2c1O 4959832 BUMPAWLVAKLTNJ-FQEVSTJZSA-N 398.890 4.998 10 40 GJCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nc2ccccc2o1 23291351 FYBIJOXYVZSTLA-UHFFFAOYSA-N 393.468 4.775 10 40 GJCB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)c1 30863339 ZZTNEILWXKOVJQ-FQEVSTJZSA-N 380.532 4.686 10 40 GJCB CCN(CC)c1ccc(CNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 224668950 CILGESPRYFUTQW-KRWDZBQOSA-N 388.939 4.887 10 40 GJCB CC(=O)Oc1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)c(OC(C)=O)c1 4993974 UEIOBTMSWHXVOH-IUKKYPGJSA-N 377.440 4.672 10 40 GJCB CCCCc1ccc(NC2=NC(=O)/C(=C\c3ccc4c(c3)OCO4)S2)cc1 35648000 KTKNKKNRIUWGDC-XDHOZWIPSA-N 380.469 4.840 10 40 GJCB CC(C)CN(CC(C)C)c1ccc([C@H]2NC(=O)c3ccccc3N2)cc1[N+](=O)[O-] 59488538 CHALQHFBGPAPOV-OAQYLSRUSA-N 396.491 4.567 10 40 GJCB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCCCC3)cc2F)S1 222595047 RPDFQMPIONQKCM-NQERJWCQSA-N 396.535 4.800 10 40 GJCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCCOc3ccccc3)cc2)C1 260453280 IMNBNLMIVFNSAH-VQTJNVASSA-N 380.532 4.959 10 40 GJCB Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1[N+](=O)[O-] 260467427 UUMBKCJQKLUJIZ-RDJZCZTQSA-N 381.476 4.631 10 40 GJCB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccccc1Cl 409013518 AVLSENBIFBTFRS-PDGQHHTCSA-N 381.859 4.834 10 40 GJCB Cc1ccc(N2C(=O)/C(=C/C=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 5214857 YTLOFCJBXKRBHR-FKJKDRHESA-N 382.466 4.865 10 40 GJCB Cc1oc2ccc(O)c(CN3CCC[C@H](C)C3)c2c1C(=O)NC1CCCCC1 6811155 FLQSUCUCRGVBFL-HNNXBMFYSA-N 384.520 4.741 10 40 GJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCCC1 222592861 KEFZTZMQWLSRCJ-ZLGUVYLKSA-N 378.545 4.580 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 4812380 CIYZTMZORXGPCP-DEDYPNTBSA-N 387.395 4.969 10 40 GJCB COc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1 5008944 MXOXOMWKPSFGBE-UHFFFAOYSA-N 393.468 4.512 10 40 GJCB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1 6241263 GQSUGSDHAAAKEK-ZROIWOOFSA-N 376.846 4.654 10 40 GJCB COc1ccc(N2C(=O)/C(=C/c3ccc(OC(F)F)cc3)SC2=S)cc1 1465623 DOEMHHPWXLWTHL-GDNBJRDFSA-N 393.436 4.702 10 40 GJCB Cc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCCC4)c23)c(C)c1 5182462 HHVZNGMGMRJWPG-UHFFFAOYSA-N 378.472 4.912 10 40 GJCB O=C1/C(=C\c2ccccc2F)SC(=S)N1C(=O)c1ccc(Cl)cc1 5583202 UVVIXYJLNXPTEH-NTEUORMPSA-N 377.849 4.521 10 40 GJCB Cc1ccc(NCN2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1C 6997696 AGLRTKZOOQDEKW-UNOMPAQXSA-N 397.569 4.640 10 40 GJCB C/C(=C1/SC(=S)N(c2ccc(C(=O)O)c(O)c2)C1=O)c1ccc(C)c(C)c1 2700263 VVWXCQVMAOCFNJ-ATVHPVEESA-N 399.493 4.503 10 40 GJCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S 4690793 LRCFRANIMGDXRU-WQRHYEAKSA-N 385.510 4.672 10 40 GJCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 6348313 CMIZTUMBTKLHND-STZFKDTASA-N 391.467 4.808 10 40 GJCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1OC 13643909 HTKWLTBYEAQMFL-BOPFTXTBSA-N 389.473 4.639 10 40 GJCB CCc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)SC2=S)cc1 35038999 VOHJUHKYYBJGBY-WOJGMQOQSA-N 385.510 4.672 10 40 GJCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3C[C@H]4C=C[C@H]3C4)c2C)cc1C 102267618 DVYPJCZUEXZXBV-CNNODRBYSA-N 377.484 4.649 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cccc(OC(F)(F)F)c1 112119440 WALBBSWWJGUXCR-ATVHPVEESA-N 375.350 4.694 10 40 GJCB COc1ccccc1/C=C/C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 217966899 UKXSKKANGZSLHG-BDZHWRPJSA-N 378.516 4.822 10 40 GJCB Cc1ccc(/N=N\c2ccc(N3C(=O)c4ccccc4S3(=O)=O)cc2)cc1 409308586 YAWXMVUOQUSEAC-DQRAZIAOSA-N 377.425 4.760 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)cc1Cl 409334763 XOLIERBPYMTSBJ-OVCLIPMQSA-N 379.865 4.894 10 40 GJCB O=C1C(c2ccccc2)=S=C2N=NC(c3ccccc3)=C(c3ccccc3)N12 1554503264 STUXZVWPJGLQNA-UHFFFAOYSA-N 381.460 4.862 10 40 GJCB COc1ccc(O)c([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)c1 4867775 GASJBOUTBIYQKF-FQEVSTJZSA-N 380.831 4.825 10 40 GJCB CCN(CC)c1ccc(NC2=NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)S2)cc1 6869801 JWNHTFKORKCHQM-AQTBWJFISA-N 396.472 4.523 10 40 GJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2)c1C 222871460 HTRUQBBZEUGSBY-YADHBBJMSA-N 390.556 4.872 10 40 GJCB COc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2cccc(C)c2)cc1 408759320 CDIUVLPTLRVQQQ-PXLXIMEGSA-N 386.426 4.977 10 40 GJCB Cc1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1 409250537 QVZFNOUYIIMRCQ-UCQKPKSFSA-N 399.494 4.804 10 40 GJCB CCN1C(=O)/C(=C/c2ccc(COc3ccc(F)cc3Cl)o2)SC1=S 2798334 MDGQNXBUDSGBCH-NVNXTCNLSA-N 397.880 4.872 10 40 GJCB CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(C)cc1 4498071 ZYAMGXKXSNYHQK-VWLOTQADSA-N 398.510 4.989 10 40 GJCB Cc1c(Cl)cccc1NC(=O)Cn1c(CCC(=O)O)ccc1-c1ccccc1 4815279 CAMSLWYTMDDOQJ-UHFFFAOYSA-N 396.874 4.773 10 40 GJCB CN(C)c1ccc(CN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 12554236 FVYMMFHZUODDPY-XMMPIXPASA-N 383.495 4.948 10 40 GJCB COc1ccc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1 13785421 GETRTGZIHRXYMB-PGMHBOJBSA-N 392.524 4.620 10 40 GJCB O=C1/C(=C\Nc2cccc(C(F)(F)F)c2)C(C(F)(F)F)=NN1c1ccccc1 100329280 AYOKRMWMDPIXOS-UVTDQMKNSA-N 399.294 4.966 10 40 GJCB Oc1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1cccnc1 102907346 JBHKJBUTZBUJDZ-WIYYLYMNSA-N 377.831 4.683 10 40 GJCB O=C1S/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccccc1 106687627 OTUUFHUOVIZUBL-HKWRFOASSA-N 378.497 4.913 10 40 GJCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 408934332 AEPIVSOIZVEGCM-CJLVFECKSA-N 396.446 4.708 10 40 GJCB C[C@@H](NC(=O)CSc1ncc(-c2ccccc2)n1C)c1cccc(Cl)c1 7130632 GUOIGCLMAUBNKY-CQSZACIVSA-N 385.920 4.710 10 40 GJCB C/C(NCc1ccccc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 112121796 KTMWJLSZQLMRPZ-XLNRJJMWSA-N 385.442 4.640 10 40 GJCB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)c1 30863332 ZZTNEILWXKOVJQ-HXUWFJFHSA-N 380.532 4.686 10 40 GJCB Cc1c([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc(N2CCCC2)c1C 260783980 UQAIIJIHOZQLHK-KBJGYGKASA-N 392.572 4.888 10 40 GJCB COc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1C 409039077 QJUCSWISPBPULP-WDZFZDKYSA-N 396.315 4.505 10 40 GJCB CCOc1cccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c1O 409051197 ADYFNUYCNSEJJW-BOPFTXTBSA-N 385.510 4.501 10 40 GJCB COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1O 2252910 UKAXQRYXONYJCW-PXNMLYILSA-N 391.901 4.768 10 40 GJCB O=C(c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21)N1CCCC1 4950942 YVXGPJAHJFSSKT-BBTUJRGHSA-N 389.455 4.657 10 40 GJCB N=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2Sc3ccccc3N12 5370431 LRNKARPLXHCGOQ-KDTVWFOQSA-N 390.251 4.568 10 40 GJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3OC)SC2=S)cc1 5371350 VOHJUHKYYBJGBY-WQRHYEAKSA-N 385.510 4.672 10 40 GJCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 857539 CJQREPVIILYDMY-UHFFFAOYSA-N 392.329 4.719 10 40 GJCB COc1ccc([C@]2(CCNCc3ccc(N(C)C)cc3)CCOC(C)(C)C2)cc1 3999359 LUJUQMARKCFLHN-RUZDIDTESA-N 396.575 4.768 10 40 GJCB biogenic CCc1ccccc1N1C(=O)/C(=C\c2nc3ccccc3n2C)SC1=S 5235989 INQCBLRUKUZONU-SFQUDFHCSA-N 379.510 4.542 10 40 GJCB Cc1cc(C(=O)CSc2nncn2C)c(C)n1-c1ccc(Cl)c(Cl)c1 6831302 SJNJGEBJLQSANF-UHFFFAOYSA-N 395.315 4.504 10 40 GJCB CN(C)c1ccc(/C=C\c2cccc(/C=C/c3ccc(N(C)C)cc3)[n+]2[O-])cc1 8672806 UEIGXMGVPPDAIP-MGYAYREDSA-N 385.511 4.793 10 40 GJCB CCC1=NN2C(=N)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)N=C2S1 30718959 RUMXDWCHMAEHLI-PNZWKLPWSA-N 384.848 4.629 10 40 GJCB COc1c(Cl)cc(Cl)cc1/C=C1/C(=O)N(c2ccccc2)C(=O)N=C1O 83318983 YSHKGKVSYMIUDN-MDWZMJQESA-N 391.210 4.509 10 40 GJCB C[C@H](NC(=O)COc1cccc(Cl)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 222770664 IMYFLPNMOPMCIP-SJORKVTESA-N 386.923 4.833 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(F)cc1 409021374 DVCMSIZEVPQNEW-YVLHZVERSA-N 385.822 4.665 10 40 GJCB Cc1ccc(C2=NN3C(=N)/C(=C/c4ccc(C(C)C)cc4)C(=O)N=C3S2)cc1 4524363 JDYDDSRHTLKERR-BIWIXZEJSA-N 388.496 4.786 10 40 GJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2 4691625 OXEWPAVNHQWPFP-GLJUWKHASA-N 383.831 4.651 10 40 GJCB CC(=O)c1cccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)c1 27229902 HWZIMAXORPWZTM-ZDLGFXPLSA-N 378.478 4.776 10 40 GJCB CCc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)sc1C 69436351 YPIANGUBQXKUPF-FQEVSTJZSA-N 386.561 4.506 10 40 GJCB Cc1cc(C(=O)Nc2ccc3c(c2)OCCCO3)c(C)n1-c1ccc(F)cc1 25026920 KXMFAYMYCAMHGC-UHFFFAOYSA-N 380.419 4.647 10 40 GJCB Cc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2cccc(C)c2)cc1 408753163 IIVRFGIOHSKKTB-FYJGNVAPSA-N 396.446 4.867 10 40 GJCB CCCCc1ccc(N2C(=O)/C(=C/c3ccc(O)c(O)c3)SC2=S)cc1 5371254 IZXKLAMMIXDKTO-PDGQHHTCSA-N 385.510 4.846 10 40 GJCB COC(=O)c1ccc(C)c(NCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)c1 5694622 FDWONGZLRHAOAG-UHFFFAOYSA-N 390.483 4.792 10 40 GJCB COc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c(OC)c1 13596683 BOIUTOIOUKDMBN-PXNMLYILSA-N 391.901 4.763 10 40 GJCB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 14011288 ZYMOKNLVUCEJSA-NSIKDUERSA-N 383.325 4.890 10 40 GJCB Cc1cc(N2CCCC2)c(F)cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222589638 TZLQGSPUUHLXKQ-ONGXBYRLSA-N 396.535 4.719 10 40 GJCB CCN(CC)c1ccc(CNC(=O)CSCc2ccccc2Cl)cc1 225756736 BGZFASGVQPDVNG-UHFFFAOYSA-N 376.953 4.736 10 40 GJCB CCc1sc(NS(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccccc1 4742763 VRAWXDOQTYTIRY-UHFFFAOYSA-N 378.906 4.827 10 40 GJCB COc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 219306266 VWPVPWFJFCUBMP-CEXWTWQISA-N 396.531 4.576 10 40 GJCB COc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 227486818 NMKZSRFCGHBDPK-KKSFZXQISA-N 396.830 4.890 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cccc(F)c1 408585829 JDDVODZDBDYEOX-YVLHZVERSA-N 385.822 4.665 10 40 GJCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1C(=O)O 5374189 CBWMHKGQSAUSTC-NVNXTCNLSA-N 389.885 4.752 10 40 GJCB CCCn1cc(/C=C2\C(=O)N(C3CCCCC3)C(=O)N=C2O)c2ccccc21 33332468 QVKNMWPYIDGZQK-AQTBWJFISA-N 379.460 4.686 10 40 GJCB Cc1ccccc1OCCCOc1ccccc1/C=C1\SC(=S)N(C)C1=O 33390869 BEBYNHCWTCXKKE-RGEXLXHISA-N 399.537 4.674 10 40 GJCB Cc1ccc(-n2c(C)cc(C=C3C(=O)OC4(CCCCC4)OC3=O)c2C)cc1 408768443 JEIYYNLHEPSFFF-UHFFFAOYSA-N 379.456 4.546 10 40 GJCB CCCCOC(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 5370940 ARXHSJKYKOHBFR-SFXQBQATSA-N 389.542 4.568 10 40 GJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccccc1Br 101148697 VCBLKRPKPBMTRY-GXDHUFHOSA-N 390.668 4.821 10 40 GJCB Cc1ccc(C)c(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 218951697 PFZHRDANHMJVCB-QUCCMNQESA-N 380.532 4.796 10 40 GJCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cccc(Cl)c1 409034282 NATVWVORZICDJQ-UXBLZVDNSA-N 386.707 4.842 10 40 GJCB O=C1N/C(=C/c2ccc(N3CCCCC3)c(F)c2)C(=O)N1c1ccc(Cl)cc1 409244130 YEHHZVRNYGZXMG-QGOAFFKASA-N 399.853 4.567 10 40 GJCB C[C@H](Oc1ccccc1)C(O)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 1670340 QIZPNNNHISBEDU-IBGZPJMESA-N 390.527 4.522 10 40 GJCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 4309552 GPVNEYGIFCJEQU-FRQCXROJSA-N 381.388 4.728 10 40 GJCB CC(/C=C1\SC(=S)N(c2ccc(C(=O)O)cc2)C1=O)=C\c1ccccc1 4567265 RDOICLHGZLWRBO-YMGXUNRSSA-N 381.478 4.737 10 40 GJCB Oc1c([C@@H](c2ccc(Br)cc2)N2CCCC2)ccc2cccnc12 4871543 VMPFQVVBVXXCJQ-LJQANCHMSA-N 383.289 4.888 10 40 GJCB CCOc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc(Cl)c1OC 16440761 GVLBZNCAKAQAPD-WJDWOHSUSA-N 388.876 4.830 10 40 GJCB Cc1ccc(/C=C2\C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)cc1 33720726 FLGDCAFNJKQVQA-WZBMNHFVSA-N 394.887 4.510 10 40 GJCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@H](C)Oc3ccc(F)cc3)cc2)CC1 218701323 BNWIJBLKRMOXRR-MSOLQXFVSA-N 384.495 4.707 10 40 GJCB CCN(CC)c1ccc(/C=C2/SC(=S)N(C(=O)c3ccccc3)C2=O)cc1 2393922 FXGAKNPKQITWBS-NBVRZTHBSA-N 396.537 4.574 10 40 GJCB CCOc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1OC 13758099 MBGIFCYQLQJEAD-ATVHPVEESA-N 377.531 4.628 10 40 GJCB CCOc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1OC 13786570 AHCCIXNVOOYZKH-RGEXLXHISA-N 399.537 4.538 10 40 GJCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(N(CC)CC)cc3)S2)cc1 408779512 XMOUNKMEEZIMJH-MNJKBJKMSA-N 381.545 4.695 10 40 GJCB O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1C(=O)c1ccc(F)cc1 972782 IKPGBOBBFCMBIR-ZROIWOOFSA-N 377.849 4.521 10 40 GJCB Cc1oc2ccc(O)c(CN3CCCCC3)c2c1C(=O)OCCc1ccccc1 5182498 KZDUJLPWBJQVHG-UHFFFAOYSA-N 393.483 4.832 10 40 GJCB Cc1oc2ccc(O)c(CN3CCCC[C@H]3C)c2c1C(=O)NCc1ccccc1 5182551 RCFXSVNPVUOLKO-MRXNPFEDSA-N 392.499 4.751 10 40 GJCB Oc1ccc(Cl)cc1C1=NN2[C@H](c3ccccn3)Oc3ccccc3[C@H]2C1 10215328 KEAVQKQEZPAXGU-NQIIRXRSSA-N 377.831 4.683 10 40 GJCB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1N1CCCC1 260769108 KEFZTZMQWLSRCJ-TYCQWZJGSA-N 378.545 4.580 10 40 GJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 409160863 XNDCVYXZEJKOQZ-SOZUMNATSA-N 384.819 4.861 10 40 GJCB Cc1cc(C(=O)COc2ccccc2Cl)c(C)n1-c1ccc2c(c1)OCO2 3514920 YNUJPJPQNXTOQT-UHFFFAOYSA-N 383.831 4.738 10 40 GJCB aggregator Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccccn1 10215323 KEAVQKQEZPAXGU-RXVVDRJESA-N 377.831 4.683 10 40 GJCB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1cccc(Br)c1 13714892 ODQZNTJYYVGSOL-ZSOIEALJSA-N 394.290 4.994 10 40 GJCB O=C1c2ccccc2C(=O)c2c(Nc3ccc(Br)cc3)ccc(O)c21 4824950 JNXCDOQOYHNHFB-UHFFFAOYSA-N 394.224 4.674 10 40 GJCB CCOCCCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S 32594044 JRXZAYNAZXSOKM-SFQUDFHCSA-N 391.489 4.714 10 40 GJCB Cc1nc(N)nc(C)c1/N=N/c1cc(Br)ccc1Br 100183058 UADJIKFHMVGAEY-VHEBQXMUSA-N 385.063 4.616 10 40 GJCB Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)c1 222744787 QMZXYJIUORORAC-FGZHOGPDSA-N 390.556 4.708 10 40 GJCB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccccc1Cl 409067128 JLBMAHKEYHRESM-KAMYIIQDSA-N 388.250 4.871 10 40 GJCB Cc1ccc(N2C(=O)/C(=C/c3cc4ccccc4oc3=O)SC2=S)c(C)c1 409335092 YQIVYNXLAXQZNB-WQRHYEAKSA-N 393.489 4.816 10 40 GJCB COc1ccc(NC(=O)c2c(NCc3cccnc3)sc3c2CCCC3)cc1 798219 LDZGFXCMWBRQAF-UHFFFAOYSA-N 393.512 4.895 10 40 GJCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(Cc2ccccc2)C1=O 35085966 FLLLSOXDGNWOCU-MOSHPQCFSA-N 396.487 4.971 10 40 GJCB CCOc1ccc2nc(N/C=C3/C(=O)N(c4ccc(C)cc4)N=C3C)sc2c1 101125335 MKWVCRKYSMZILD-SFQUDFHCSA-N 392.484 4.722 10 40 GJCB COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 226728210 GQWLRWQSMNRAFV-XQBPLPMBSA-N 396.918 4.933 10 40 GJCB COc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260732785 BFABXBHHTBUAGU-DLBZAZTESA-N 383.561 4.979 10 40 GJCB CCCCCCN1C(=O)/C(=C\Nc2cccc(C(=O)OCC)c2)SC1=S 5021805 HRRCOVCNDUDPNU-DTQAZKPQSA-N 392.546 4.557 10 40 GJCB Cc1oc2ccc(O)c(CN3CCCCCC3)c2c1C(=O)NCc1ccccc1 5182725 UVSZVXTWCBEEDX-UHFFFAOYSA-N 392.499 4.753 10 40 GJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 8092244 NJRFFPBBAXEHTD-GLJUWKHASA-N 384.819 4.861 10 40 GJCB CC1CCN(c2ccc([C@@H](C)NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)CC1 217929852 QBIMLCWTZNEZHR-YDMXYTAQSA-N 392.499 4.542 10 40 GJCB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)n1-c1ccccc1 222943417 YDLWQKLMLMVQDW-YADHBBJMSA-N 390.556 4.809 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)C)cc3)SC2=S)cc1 409343008 CGLFRKSTVZNPPW-LDADJPATSA-N 385.510 4.888 10 40 GJCB COc1ccc(-c2ccc(CCC(=O)O)n2CCOc2ccc(Cl)cc2)cc1 409378565 QDPVRMBEDMOERH-UHFFFAOYSA-N 399.874 4.913 10 40 GJCB COc1ccccc1N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S 2411860 XTDHGMWVNFQMCQ-WQRHYEAKSA-N 380.494 4.593 10 40 GJCB Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccncc1 6721633 KMGMZDOWWQGNPC-GHTZIAJQSA-N 377.831 4.683 10 40 GJCB O=C1/C(=C\Nc2ccc(Oc3ccccc3)cc2)C=NN1c1cccc(Cl)n1 100403046 RNXAJXCVNRHJCR-SQFISAMPSA-N 390.830 4.856 10 40 GJCB CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(O)cc3)C2=O)cc1 1470481 UPKVRAHSAOAPLE-QGOAFFKASA-N 384.526 4.644 10 40 GJCB CCCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 17079747 AGICNUZGIMXURA-CYVLTUHYSA-N 390.512 4.711 10 40 GJCB O=C(CC[C@H]1CCCO1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 48678326 YQAGEZAMFZVSAE-NTKDMRAZSA-N 375.468 4.710 10 40 GJCB O=C1NC(=S)S/C1=C/c1cc(/N=N/c2ccccc2Cl)ccc1O 408727179 VAXBGJGEZOULBR-RKXUONLDSA-N 375.862 4.950 10 40 GJCB CCOc1cc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@@H]3C=CC[C@@H]32)ccc1OC 408872355 LOEKOQVTAJUKKG-JLHGSKIFSA-N 379.456 4.927 10 40 GJCB CC(=C/c1ccccc1)/C=C1\SC(=S)N([C@H](C(=O)O)c2ccccc2)C1=O 4128588 BPNJKEMCBOUUAM-GONPUESXSA-N 395.505 4.660 10 40 GJCB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc(-n2c(C)ccc2C)c1 7378934 GYLVNZVJYCKKLK-UHFFFAOYSA-N 396.874 4.851 10 40 GJCB O=C1/C(=C\c2ccc3cccc(Cl)c3n2)SC(=S)N1c1ccc(O)cc1 9483452 SOOQZMVEQQDVSA-MHWRWJLKSA-N 398.896 5.000 10 40 GJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(Br)cc1 13282660 GBAJYLXGOHSYEU-YBEGLDIGSA-N 390.668 4.821 10 40 GJCB O=C1/C(=C/c2cccc3nccnc23)SC(=S)N1c1cccc(Cl)c1 13684921 UGDWFOXTFRNASB-DHDCSXOGSA-N 383.885 4.689 10 40 GJCB CC(C)=CCc1cc2c(=O)c3c(O)c4c(cc3oc2c(O)c1O)OC(C)(C)C=C4 14679153 FKBCRWZDPJSICF-UHFFFAOYSA-N 394.423 4.756 10 40 GJCB biogenic CCN(CC)c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)c1 260784276 VPMZQZFYZVJLTR-TYCQWZJGSA-N 380.561 4.826 10 40 GJCB Cc1cc(C(=O)COc2cccc(Cl)c2)c(C)n1-c1ccc2c(c1)OCO2 3516000 UTHMQMOUZZMJLF-UHFFFAOYSA-N 383.831 4.738 10 40 GJCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1 5372269 OODWRLUMEWSGBX-PDGQHHTCSA-N 383.494 4.694 10 40 GJCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)N1c1ccc(F)cc1 7017959 FEQPXAJKFSWCLY-ZHZULCJRSA-N 387.370 4.568 10 40 GJCB Cc1cccc(NC2=NC(=O)/C(=C/c3ccc(Br)o3)S2)c1C 8415181 LUWRJCISIMEPSU-JYRVWZFOSA-N 377.263 4.741 10 40 GJCB CC(C)C1=NN2C(=N)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N=C2S1 18055076 IPOGJLOCODZXKO-AJUKGGFZSA-N 398.875 4.875 10 40 GJCB Cc1c(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cccc1[N+](=O)[O-] 260466366 RRKAQDHTOTTYDF-DOTOQJQBSA-N 381.476 4.631 10 40 GJCB O=C1/C(=C/c2cccc3ccccc23)C(O)=NC(=S)N1c1ccccc1F 1245620 CENLOHOENZSIND-FOWTUZBSSA-N 376.412 4.651 10 40 GJCB CCOc1cc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1O 1450801 PRJHJWBVKPFISB-HTMJNSLASA-N 385.510 4.753 10 40 GJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(Br)cc1 96793233 WDSSBYFCANCORA-WOJGMQOQSA-N 384.277 4.784 10 40 GJCB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@H]1/N=N/c1ccccc1C 102572298 WNZJNELWQJJVAW-CCWVLBSLSA-N 375.457 4.994 10 40 GJCB CCN(CC)c1ccc(CNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 225276314 SBFWZKCVCBKQCN-HNNXBMFYSA-N 376.953 4.983 10 40 GJCB COc1ccc(/C=C2/SC(=S)N(CNc3cc(C)ccc3C)C2=O)cc1 13548786 UAHSRSLCVCDYGM-WOJGMQOQSA-N 384.526 4.583 10 40 GJCB COC(=O)c1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21 871779 AKNZEKOLMKDERA-BBEGDGIKSA-N 384.819 4.861 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccccc1F 59566386 QURYXKGINJCQBE-UYRXBGFRSA-N 379.431 4.826 10 40 GJCB COc1ccc(Nc2ccc3c4c(cc(=O)n3C)-c3ccccc3C(=O)c24)cc1 5521765 GFFOBBJJTZCTOA-UHFFFAOYSA-N 382.419 4.502 10 40 GJCB CC(C)c1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1 12032592 ALIUKMAFEXWNLD-YVLHZVERSA-N 383.494 4.914 10 40 GJCB CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 209949731 UPPRUPCXKHPNSJ-ZSOIEALJSA-N 394.861 4.729 10 40 GJCB COc1ccc(CC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C 224290804 YMNJBYKHUPHWOI-MJGOQNOKSA-N 380.532 4.660 10 40 GJCB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2/SC(=O)N(C(C)C)C2=O)c1C 409017588 MRYOBSKWYSBRPC-VCHYOVAHSA-N 398.484 4.545 10 40 GJCB CC(=O)Nc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1 409328272 RBWCNLCAJBHXAW-WOJGMQOQSA-N 382.510 4.668 10 40 GJCB Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1ccc(OC(F)F)cc1 3446366 NMGQSHBLPKJUDS-UHFFFAOYSA-N 395.456 4.522 10 40 GJCB Cc1cc([C@H]2NN=C(c3ccccc3)S2)c(C)n1-c1ccc([N+](=O)[O-])cc1 6961880 DVJKLBHXKDQRPM-FQEVSTJZSA-N 378.457 4.699 10 40 GJCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccccc1OCC 112123185 MCJNSKJTGRHXNI-JWGURIENSA-N 393.487 4.983 10 40 GJCB Cc1ccc(O)c(C2=NN3[C@H](c4ccsc4)Oc4ccc(Cl)cc4[C@H]3C2)c1 239611693 FAUDGJUSQSZCOA-NQIIRXRSSA-N 396.899 5.658 10 40 GJCB CCc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(C)=C2C(=O)OC)cc1 409055763 AZAJPTYCIRZMIM-UYRXBGFRSA-N 381.859 4.780 10 40 GJCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC 4698986 RWCUFXQRYVVJKC-GZTJUZNOSA-N 384.863 4.944 10 40 GJCB Cc1cc(C)cc(Oc2c(C)oc3c(CN4CCCC4)c(O)ccc3c2=O)c1 5182782 KDPCEMWCRNFGMP-UHFFFAOYSA-N 379.456 4.812 10 40 GJCB O=C1N=C(Nc2ccccc2C(F)(F)F)S/C1=C\c1cccc([N+](=O)[O-])c1 5551389 AEHRDAUHHJXYAM-ZROIWOOFSA-N 393.346 4.696 10 40 GJCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1 101658261 ZUMZAPGXHQDELY-UNOMPAQXSA-N 390.370 4.590 10 40 GJCB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(C)c(C)c2)cc1 1691755 CZHKNJDXPPNMFV-UHFFFAOYSA-N 379.481 4.644 10 40 GJCB in-vitro COc1ccc2nc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)ccc2c1 9419602 VBCPNPFWTJVVQZ-XDHOZWIPSA-N 392.505 4.645 10 40 GJCB CC(C)c1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1 12032591 PYZSZKBZIRDNKB-FSEPTYSPSA-N 397.521 4.837 10 40 GJCB CCN1/C(=C/C=C/c2sc3cc(N)ccc3[n+]2CC)Sc2cc(N)ccc21 19941846 MSJQOUTYVMXUDQ-UHFFFAOYSA-N 395.577 4.860 10 40 GJCB FC(F)(F)Oc1ccc(N2CCC(Nc3cnc4ccccc4n3)CC2)cc1 84605638 LUMYJAYSWKATLP-UHFFFAOYSA-N 388.393 4.609 10 40 GJCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 225276278 SBFWZKCVCBKQCN-OAHLLOKOSA-N 376.953 4.983 10 40 GJCB Cc1oc2ccc(O)c(CN3CCC[C@@H](C)C3)c2c1C(=O)NC1CCCCC1 6811156 FLQSUCUCRGVBFL-OAHLLOKOSA-N 384.520 4.741 10 40 GJCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)cc3F)N21 260786501 XPWBYIODJRXRNA-LPTQZCDUSA-N 396.535 4.800 10 40 GJCB COc1ccccc1/C=C1/SC(=S)N(CNc2ccc(C)cc2C)C1=O 408719731 PYUGYZPYCHXIKC-WOJGMQOQSA-N 384.526 4.583 10 40 GJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(OC)c1OC)N2 409164919 PQVBJRUMPFAKBE-QHRIQVFBSA-N 399.874 4.970 10 40 GJCB O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1cccc(O)c1 973794 JKSVPXLKETYPRQ-ZSOIEALJSA-N 392.299 4.561 10 40 GJCB O=C1/C(=C/c2cccs2)SC(=S)N1c1cccc(Br)c1 1191623 OAHQWRBAGGWDKT-WQLSENKSSA-N 382.329 4.916 10 40 GJCB CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 4881507 FAYALEOOHOCRDV-IPJJNNNSSA-N 391.471 4.903 10 40 GJCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)cc1 6211488 UDIBEYVGQXTUBS-PDGQHHTCSA-N 396.537 4.665 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1Cl 408793061 CXKKFUAEXFEQFW-PDGQHHTCSA-N 381.859 4.834 10 40 GJCB CCCn1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c2ccccc21 33333259 ZGPOJPRGCVKXTR-PDGQHHTCSA-N 391.402 4.697 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(OC)cc1 59566394 WVDHBSUFZAWJOX-STZFKDTASA-N 391.467 4.696 10 40 GJCB CC(=O)[C@@](Cc1ccccc1)(/N=N\c1ccccc1)S(=O)(=O)c1ccccc1 104375123 AWRQNLJDWIPANV-ACOCPHQRSA-N 392.480 4.772 10 40 GJCB Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)c1C 222743969 KSMGMRZRWDTYEW-FGZHOGPDSA-N 390.556 4.708 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2C)c1C 408755990 GTMWVCYYUXEKCL-HMAPJEAMSA-N 384.483 4.912 10 40 GJCB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)n1-c1ccccc1 222853885 NGZUOHCJMRQWLC-NHCUHLMSSA-N 376.529 4.562 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(Cl)cc1 408770108 SWLOTEIAXQHEOZ-UNOMPAQXSA-N 381.859 4.834 10 40 GJCB COc1cc(O)c(CN2CCCC[C@H]2C)c2oc(-c3ccccc3)cc(=O)c12 9183748 YZJFCFVBSKSLGN-OAHLLOKOSA-N 379.456 4.549 10 40 GJCB biogenic CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccccc1Br 101141423 JWCMVRDDYZGDPB-GXDHUFHOSA-N 390.668 4.821 10 40 GJCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccco2)cc1 2363632 VTKMGSYJFSCPMA-SSPYTLHUSA-N 396.531 4.634 10 40 GJCB O=C1N=C(Nc2ccc(F)cc2)S/C1=C\c1cccc(Br)c1 5551149 KEIBGFUTCLVTCK-ZROIWOOFSA-N 377.238 4.671 10 40 GJCB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(N2CCCC2)cc1 10113663 WJMGLNNHUMFMCM-SFHVURJKSA-N 380.532 4.668 10 40 GJCB O=C1OC2(CCCCC2)N(c2ccccc2)C(=O)/C1=C/Nc1ccc(Cl)cc1 17126498 HASOBUMCPJZHJK-CYVLTUHYSA-N 396.874 4.886 10 40 GJCB Cc1cc(C(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)c(C)[nH]1 22417725 RPAVJYPXMLPKSW-GOSISDBHSA-N 395.528 4.649 10 40 GJCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cccc2ccccc12 112122252 RBMZMXWENFTZNM-STZFKDTASA-N 386.411 4.857 10 40 GJCB COc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 218750825 WJOSLVNGFBIHOW-RBUKOAKNSA-N 396.531 4.576 10 40 GJCB CCOc1ccc(CN(C)Cc2c(O)ccc3ccc(OC)cc23)cc1OC 6209163 UPHFYOWPNXLLMN-UHFFFAOYSA-N 381.472 4.593 10 40 GJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1nnc(-c2ccccc2)s1 100552393 JHVJJANGYUCKHL-WJDWOHSUSA-N 395.875 4.577 10 40 GJCB Cc1ccc(N2C(=O)/C(=C/c3cc4ccccc4oc3=O)SC2=S)cc1 409349233 UYTAKBUILCFNLC-BOPFTXTBSA-N 379.462 4.507 10 40 GJCB CCOc1ccccc1N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 1241213 RJQAUEQISGGLSI-WQRHYEAKSA-N 380.494 4.972 10 40 GJCB O=C1/C(=C\c2ccc(O)c(Br)c2)SC(=S)N1c1ccccc1 113830574 CMMRBIGXFXIKEM-NTEUORMPSA-N 392.299 4.561 10 40 GJCB CC(C)c1ccccc1OCCOc1ccc(/C=C2\SC(=S)NC2=O)cc1 4679562 BDJQARDGMZEKTM-UYRXBGFRSA-N 399.537 4.757 10 40 GJCB O=C(NCc1cccnc1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 42898916 IPJKJTUDHIKXKF-QHCPKHFHSA-N 383.451 4.529 10 40 GJCB O=C1/C(=C\C=C/c2ccccc2[N+](=O)[O-])SC(=S)N1Cc1ccccc1 208630833 GDJFWXPTJOMEKN-LROUVQFUSA-N 382.466 4.552 10 40 GJCB CCC(=O)N1c2ccc(Cl)cc2[C@@H]2C=CC[C@@H]2[C@H]1c1cccc2ccccc12 239432923 WXGSZCLVYGKRSJ-FZOAFFARSA-N 387.910 6.651 10 40 GJCB COc1ccc(Oc2coc3c(CN4CCC(C)CC4)c(O)ccc3c2=O)cc1 4056252 JTPSMWUNXITJCE-UHFFFAOYSA-N 395.455 4.531 10 40 GJCB C[C@H](NC(=O)CSc1ncc(-c2ccccc2)n1C)c1cccc(Cl)c1 7130622 GUOIGCLMAUBNKY-AWEZNQCLSA-N 385.920 4.710 10 40 GJCB Cc1cccc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)c1 9188928 LZYJVYHBNUQUQC-PGMHBOJBSA-N 376.525 4.920 10 40 GJCB COc1ccc(-c2coc3c(CN4CCCC[C@@H]4C)c(O)ccc3c2=O)cc1 20411724 PYJVKFYMNGEDKC-HNNXBMFYSA-N 379.456 4.549 10 40 GJCB biogenic Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)c(C)c1 223639641 VCRNAMNJZDRPIB-UHFFFAOYSA-N 379.481 4.644 10 40 GJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 8092263 XNDCVYXZEJKOQZ-SEDUGSJDSA-N 384.819 4.861 10 40 GJCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 27229913 OCLQUEKMJBEMLN-MFOYZWKCSA-N 394.477 4.580 10 40 GJCB Cc1ccc(C)c(NC2=NC(=O)/C(=C/c3c(Cl)nc4ccccn34)S2)c1 32799405 RWRZBRLRJCMMTI-GDNBJRDFSA-N 382.876 4.687 10 40 GJCB C[C@H](NC(=O)CCCOc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 218726735 IMNBNLMIVFNSAH-UXHICEINSA-N 380.532 4.959 10 40 GJCB Cc1nnc(-c2cccc(NC(=O)c3cc(C)n(-c4ccccc4F)c3C)c2)o1 225418798 QTRHWBBTIBMNIO-UHFFFAOYSA-N 390.418 4.844 10 40 GJCB COc1cc(Nc2ccc(Oc3ccc(O)c(CN)c3)cc2)c2ncccc2c1 1717585 AEYRUINESAKZJX-UHFFFAOYSA-N 387.439 4.944 10 40 GJCB O=[N+]([O-])c1ccc(NNc2c3ccccc3nc3ccccc23)c([N+](=O)[O-])c1 4750890 SMRXLKGBNAEWHT-UHFFFAOYSA-N 375.344 4.643 10 40 GJCB CN1C(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)SC1=S 5170512 OHUXYKJTCWGFQI-MDWZMJQESA-N 380.288 4.540 10 40 GJCB COc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c(OC)c1 5372184 GYKJENKYSRNXND-CVCOPPNTSA-N 383.494 4.666 10 40 GJCB Oc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccncc2)cc1 102907379 AVJQABJNILUNCY-FPOVZHCZSA-N 377.831 4.683 10 40 GJCB Cc1[nH]c(=N)sc1/N=N\c1cc(Br)ccc1Br 104128634 ICNVAUGTTYRUNQ-NXVVXOECSA-N 376.077 4.804 10 40 GJCB CCCOc1ccccc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O 408604283 UQMNVBYHOIDUSW-VCHYOVAHSA-N 399.493 4.610 10 40 GJCB CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 409342539 DTTRGWLKNVVJPA-RGEXLXHISA-N 398.553 4.947 10 40 GJCB COc1cc(/C=C2/SC(Nc3ccc(Cl)cc3Cl)=NC2=O)ccc1O 2443844 QZJXQQSKLWCBIN-VIZOYTHASA-N 395.267 4.790 10 40 GJCB CCCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 4614946 BXEGTZBUEZEGJJ-UHFFFAOYSA-N 385.419 4.503 10 40 GJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1nnc(-c2ccccc2)s1 101114510 DNIQNKNDBXKBKI-LDADJPATSA-N 389.484 4.540 10 40 GJCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cccc(OC)c1OC 103919325 PUZORCBCICTVLE-HKWRFOASSA-N 379.460 4.593 10 40 GJCB CCc1ccc(/C=C2\C(=O)N(CCC3=CCCCC3)C(C)=C2C(=O)OC)cc1 409061963 KQXUGRSCJYJXEV-PGMHBOJBSA-N 379.500 4.812 10 40 GJCB O=C1c2ccccc2C(=O)c2c1cccc2-n1nnc2cc(Cl)c(Cl)cc21 4917891 IIBIQYDUITVXDA-UHFFFAOYSA-N 394.217 4.503 10 40 GJCB O=C(CC[C@H]1CCCO1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 48678325 YQAGEZAMFZVSAE-DVECYGJZSA-N 375.468 4.710 10 40 GJCB O=C1/C(=C\c2ccc(OC(F)F)cc2)SC(=S)N1c1ccc(F)cc1 1266344 OGBSHXAFZFYPGB-NTEUORMPSA-N 381.400 4.833 10 40 GJCB COc1cc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccs2)ccc1O 10215484 GHOXFWFQDUSHAB-HRAATJIYSA-N 378.453 4.705 10 40 GJCB CCOc1ccccc1Oc1c(C)oc2c(CN(CC)CC)c(O)ccc2c1=O 20357503 HXSWXFPPGLCRAA-UHFFFAOYSA-N 397.471 4.840 10 40 GJCB biogenic CCOc1ccccc1Oc1c(C)oc2c(CN3CCCC3)c(O)ccc2c1=O 20393733 VULJBWKHMWPDGL-UHFFFAOYSA-N 395.455 4.594 10 40 GJCB biogenic CCCN1C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)SC1=S 409339963 NNNZKBOAKDEYNE-AWNIVKPZSA-N 381.320 4.542 10 40 GJCB CCOc1c(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cccc1OC 409350106 XGMSXPSDKJQLCS-ATVHPVEESA-N 385.510 4.808 10 40 GJCB COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3nccs3)C2=O)cc1 2323565 OZMPBLACMKRAGI-SFQUDFHCSA-N 395.871 4.640 10 40 GJCB COC(=O)c1cccc(-n2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)c1 3634706 HOOAMYITOZBCCJ-UHFFFAOYSA-N 383.831 4.602 10 40 GJCB O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCC1 4575040 JXOIIPFRFQUXMS-CNNODRBYSA-N 389.455 4.657 10 40 GJCB CCCCCCN1C(=O)/C(=C/Nc2cccc(C(=O)OCC)c2)SC1=S 102985206 HRRCOVCNDUDPNU-SSZFMOIBSA-N 392.546 4.557 10 40 GJCB CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(C)=CSC4=NC3=O)c2C)cc1 103604759 ADCXIAVUGRMWKI-FNYLDBEHSA-N 390.512 4.824 10 40 GJCB Cc1cc(N2CCCC2)c(C)cc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222594422 NLIQHNLRUFOJIW-HSQYWUDLSA-N 392.572 4.888 10 40 GJCB CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1 35041428 FLLGQUBCFAAPPE-WOJGMQOQSA-N 383.494 4.694 10 40 GJCB Cc1ccnc(N[C@@H](c2cccnc2)c2cc(Cl)c3cccnc3c2O)c1 45944551 JGAQVXXYNMYEGH-IBGZPJMESA-N 376.847 4.894 10 40 GJCB O=c1oc2c(CN3CCCCC3)c(O)ccc2cc1-c1nc2ccccc2s1 941142 WAIRTCPWJZEOEL-UHFFFAOYSA-N 392.480 4.761 10 40 GJCB biogenic CC(=O)N(CC[C@@H](c1ccccc1)c1ccco1)Cc1ccc(N(C)C)cc1 1243347 URUHSCWNIJRGSB-QHCPKHFHSA-N 376.500 4.916 10 40 GJCB CSc1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1 1243513 CEYSZJXFQQHABL-ALGNWURXSA-N 377.494 4.713 10 40 GJCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 4852920 YQZKOUOSWQKKJB-FCEWJHQRSA-N 381.388 4.728 10 40 GJCB O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(C(F)(F)F)c1 5192678 KEPHYBCLPKNTBG-UHFFFAOYSA-N 395.336 4.733 10 40 GJCB O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc(OC(=O)c2ccco2)cc1 6473688 NDZKSKNPKYRRHC-AQTBWJFISA-N 390.420 4.581 10 40 GJCB Cc1ccc2[nH]c(C)c(/C=C3\C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)c2c1 13810262 RICKJXXBHBSEFY-YVLHZVERSA-N 393.830 4.945 10 40 GJCB CC(=O)c1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 27229898 UNGFIPVMHZIFPK-ZDLGFXPLSA-N 378.478 4.776 10 40 GJCB COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(C)cc3)C2=O)cc1 408758429 JUFUTECMEDILOH-PXLXIMEGSA-N 386.426 4.977 10 40 GJCB CCOc1ccc(/C=C2/SC(Nc3ccc(C)c(C)c3)=NC2=O)c(OC)c1 5371048 ILVMWGYPDBTZDU-YBFXNURJSA-N 382.485 4.793 10 40 GJCB CCCCN1C(=O)/C(=C/N(C(=O)c2ccccc2)c2ccccc2)SC1=S 3082339 UZPRIEOSPDGDMU-SDXDJHTJSA-N 396.537 4.835 10 40 GJCB CCN1/C(=C\C=C2/SC(=S)N(Cc3ccccc3)C2=O)Oc2ccccc21 33906331 AVTGBYABIMHCHW-MGYAYREDSA-N 394.521 4.691 10 40 GJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])c(C)c1C 95471469 NRFZIFYRSHXGEV-YBEGLDIGSA-N 384.823 4.584 10 40 GJCB CCOc1ccc(CCC(=O)NCc2ccc(N(CC)CC)cc2)cc1OCC 225028473 UQELZRRTPSFYQD-UHFFFAOYSA-N 398.547 4.579 10 40 GJCB Cc1cc(CNC(=O)c2ccc3[nH]c(Cl)nc3c2)c(C)n1-c1ccccc1 225985983 GSLATWPPGWDYDB-UHFFFAOYSA-N 378.863 4.554 10 40 GJCB CCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 5954396 IVZQKAKKDWZSIF-UHFFFAOYSA-N 399.899 4.934 10 40 GJCB Nc1ccc(/N=N/c2cccc3c(/N=N/c4ccc(N)nc4N)cccc23)c(N)n1 18144234 BKITVKZRQCDHKO-QAVVBOBSSA-N 398.434 4.789 10 40 GJCB CCOc1ccc(/C=C2/SC(Nc3ccc(CC)cc3)=NC2=O)cc1OC 28296849 SBWVYAZBPGLESO-CPNJWEJPSA-N 382.485 4.739 10 40 GJCB COc1ccccc1-c1c(C)oc2c(CN3CCC(C)CC3)c(O)ccc2c1=O 20411440 SLKHHSMYTNQKDZ-UHFFFAOYSA-N 393.483 4.715 10 40 GJCB biogenic CCOc1ccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1 225689947 PYEWIKOVTUCHLW-QGZVFWFLSA-N 383.561 4.808 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(C)cc1 409321375 GAKWTJKKFMVSCR-YBEGLDIGSA-N 385.822 4.665 10 40 GJCB COc1ccc(OC)c([C@@H]2Nc3c(Cl)cc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)c1 4363143 DPAANUNFAVTVND-BIENJYKASA-N 385.847 4.882 10 40 GJCB CN(C)c1ccc([C@H]2NC(=O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)cc1 4913681 LEVOIKJTRLSWOE-KUHUBIRLSA-N 383.561 4.819 10 40 GJCB CCN1C(=O)/C(=C/c2cc3cc(C)ccc3nc2N2CCCCC2)SC1=S 20308694 FRBGWMKEESIFCX-AQTBWJFISA-N 397.569 4.755 10 40 GJCB Cc1cc(C(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)c(C)[nH]1 22417722 RPAVJYPXMLPKSW-SFHVURJKSA-N 395.528 4.649 10 40 GJCB O=C1/C(=C\Nc2ccccc2C(F)(F)F)C(C(F)(F)F)=NN1c1ccccc1 100329284 ORZJNUGBWYGBDP-BENRWUELSA-N 399.294 4.966 10 40 GJCB O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2cccc3ccccc23)C1=O 113834806 FCMWQESCHKGETR-ZCXUNETKSA-N 388.473 4.568 10 40 GJCB CCCCOc1ccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1 409195921 SOQBMHCPZBZCAR-AQTBWJFISA-N 386.542 4.821 10 40 GJCB COc1ccc(C2=NN(C(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)C2)c(O)c1 1235356 BTRVDIXOMHPPBI-JOCHJYFZSA-N 386.451 4.701 10 40 GJCB CC(/C=C1\SC(=S)N(c2cccc(C(=O)O)c2)C1=O)=C\c1ccccc1 4567264 NXEXHRSVNFRUDK-NEOBQEPSSA-N 381.478 4.737 10 40 GJCB O=C1N=C(Nc2ccc(Cl)cc2Cl)S/C1=C/c1ccc(C(=O)O)cc1 16906117 ZFHPQOPGJWAHIW-VGOFMYFVSA-N 393.251 4.774 10 40 GJCB COc1ccc(/N=N/[C@@H]2C(=O)N(c3ccccc3)N=C2Nc2ccccc2)cc1 97963994 ISUQFWQYQRWIEV-VQERKYHCSA-N 385.427 4.620 10 40 GJCB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccccc1 100511037 AUFGRUQDTXDETL-KGNHYALCSA-N 375.457 4.994 10 40 GJCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cccc(OC(F)(F)F)c1 112123410 PPTBWITUIDRRDU-BOPFTXTBSA-N 393.340 4.833 10 40 GJCB Cc1cc(O[C@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)ccc1Cl 222851336 CXONWBLJUNXXKS-QGZVFWFLSA-N 386.923 4.722 10 40 GJCB C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(F)c(F)c3)cc2)C1 225691248 JRBGHLMKBMREOG-AWEZNQCLSA-N 375.488 4.688 10 40 GJCB CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(C)=C2C(=O)OC)cc1 408977207 HSCDVIYQRQILRQ-UYRXBGFRSA-N 397.858 4.616 10 40 GJCB CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN3CCCCC3)c12 941146 XNBPZFDWJSQTIE-UHFFFAOYSA-N 379.456 4.968 10 40 GJCB biogenic O=C1c2ccccc2C(=O)c2sc(Nc3cc(Cl)ccc3Cl)nc21 1636428 FNCOTTXCSUMORN-UHFFFAOYSA-N 375.236 4.969 10 40 GJCB COc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 28047662 PHTYRUHBBUAODI-UHFFFAOYSA-N 388.514 4.545 10 40 GJCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CCCOc3ccccc3)cc2)C1 260453276 IMNBNLMIVFNSAH-PMACEKPBSA-N 380.532 4.959 10 40 GJCB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCCCC2)cc1 30849333 DCOFIQDKSBQFFK-OAQYLSRUSA-N 386.923 4.804 10 40 GJCB COc1ccc(CCN2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1 38180463 CGDJOICZHFEHCI-XDHOZWIPSA-N 394.521 4.620 10 40 GJCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccccc1OC(C)C 96193281 SDKYIFXOGLWTSM-YBEGLDIGSA-N 398.846 4.632 10 40 GJCB CCOc1ccc2ccccc2c1/C=C1/C(=O)N(C(=O)c2ccccc2)N=C1C 408939579 NCTBBHOJKNWTII-HMMYKYKNSA-N 384.435 4.680 10 40 GJCB Cc1c(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2ccccc2n1C 408971680 PEANNZJUZONJAA-ATVHPVEESA-N 383.373 4.835 10 40 GJCB Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1C 1252298 GOPURCMXECSBEM-AQTBWJFISA-N 396.537 4.533 10 40 GJCB CC(=O)N(/C=C1\SC(=S)N([C@@H](C)c2ccccc2)C1=O)c1ccccc1C 4545605 BBJGIHCQLXCFEC-CCNLRRDASA-N 396.537 4.811 10 40 GJCB COc1ccc(OC)c([C@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@@H]3C=CC[C@H]23)c1 4744274 NFQIZAIUORKUBD-NQCMUKECSA-N 385.847 4.882 10 40 GJCB O=C1S/C(=C/c2ccc(O)c(O)c2)C(=O)N1Cc1c(Cl)cccc1Cl 214717688 OQPAKCRREYEHGT-VIZOYTHASA-N 396.251 4.641 10 40 GJCB O=C1/C(=C\Nc2ccc(C(F)(F)F)cc2)C(C(F)(F)F)=NN1c1ccccc1 100329276 SJRIOUMUGPELRZ-UVTDQMKNSA-N 399.294 4.966 10 40 GJCB Cc1[nH]c2ccccc2c1/C=C1/C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O 8994260 XTNJBRGCUWBAPR-MHWRWJLKSA-N 379.803 4.636 10 40 GJCB Cc1c(Cc2ccccc2)c(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12 20292827 NHHAFKYBNLNZRA-UHFFFAOYSA-N 383.875 4.647 10 40 GJCB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C/Nc1cccc(C)c1 101123610 KHOGRNRQHWYCML-GZTJUZNOSA-N 384.277 4.784 10 40 GJCB O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H](c1ccccc1)N1CCCCC1 141590967 CAYXJZRDGGXIAA-XMMPIXPASA-N 391.559 4.520 10 40 GJCB Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)c(C)n1C1CCCC1 409140611 GTKIXSHZQOIUBD-ZHZULCJRSA-N 379.529 4.824 10 40 GJCB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cc1 4541609 WPJBLJATKUEPOK-UHFFFAOYSA-N 382.847 4.543 10 40 GJCB CCc1ccccc1N1C(=O)/C(=C\c2cccc(OC)c2OC)SC1=S 35038967 YBLXKVPGUAOIHB-SFQUDFHCSA-N 385.510 4.672 10 40 GJCB Cc1ccc(C)n1-c1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 72216758 NWWDXEBTXWJYNA-OAQYLSRUSA-N 375.472 4.963 10 40 GJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(Cl)c([N+](=O)[O-])c1 101150132 ZFKUGOIEGCCEFS-NTEUORMPSA-N 391.214 4.620 10 40 GJCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 408769755 OMUQJTIDEPIMEV-STZFKDTASA-N 375.468 4.996 10 40 GJCB O=C1N=C(c2ccccc2)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 3212330 ZUMQZPPGEDRZLC-PDGQHHTCSA-N 376.393 4.916 10 40 GJCB CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O 4675934 NYCFPWSVFKCNTQ-LZYBPNLTSA-N 378.856 4.943 10 40 GJCB COc1ccc(NC(=O)C(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)cc1Cl 6781043 KVRYYLTUNXOAIF-UHFFFAOYSA-N 396.874 4.886 10 40 GJCB CC(=O)c1cccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)c1 20226879 HWZIMAXORPWZTM-VCHYOVAHSA-N 378.478 4.776 10 40 GJCB Cc1ccc(-c2ccc(/C=C3/SC(=S)NC3=O)o2)c(Br)c1 2119997 MEIYSYJMBPWNKF-NTUHNPAUSA-N 380.288 4.506 10 40 GJCB Cc1cc([C@H]2CCCN2C(=O)/C=C/c2cc(C)n(-c3ccccc3)c2C)no1 29243959 PASIFYFMSCBOFG-VDZCTEQFSA-N 375.472 4.767 10 40 GJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc4c(c3)OCO4)cc2)C1 225668631 BTWSBIAMBGZEBK-HZPDHXFCSA-N 397.544 4.699 10 40 GJCB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)C1=O 409015549 SLIKHCAXKVIMNA-MUOOZZNISA-N 385.441 4.788 10 40 GJCB C[C@H]1Cc2cc(/C=C3\C(=O)N(c4ccccc4)N=C3c3ccccc3)ccc2O1 10299337 NYFWEPWPFRVMBG-DBZAVIBRSA-N 380.447 4.845 10 40 GJCB Cc1nc(N)nc(C)c1/N=N\c1cc(Br)ccc1Br 16930747 UADJIKFHMVGAEY-HNENSFHCSA-N 385.063 4.616 10 40 GJCB CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(O)c1 59514405 XGUCWOZABIVOJU-LDADJPATSA-N 384.526 4.644 10 40 GJCB Cc1cc(N2CCCCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222594774 IHFJHYBEXUAICF-MTNREXPMSA-N 392.572 4.970 10 40 GJCB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N3CCCCC3)cc2F)S1 222595189 RPDFQMPIONQKCM-LPTQZCDUSA-N 396.535 4.800 10 40 GJCB O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2F)N1c1ccc(O)cc1 408759569 HGBNYTXPWNBSOH-DEDYPNTBSA-N 376.362 4.505 10 40 GJCB O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1Cc1ccco1 4690276 JMUFSWWTCPVVJW-SDQBBNPISA-N 386.281 4.693 10 40 GJCB O=C1/C(=C/c2ccc3cccc(Cl)c3n2)SC(=S)N1Cc1ccco1 54360930 BUWHTYBSOMVWHH-DHDCSXOGSA-N 386.885 4.883 10 40 GJCB Cc1c(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cccc1[N+](=O)[O-] 260466369 RRKAQDHTOTTYDF-RDJZCZTQSA-N 381.476 4.631 10 40 GJCB CCCCOc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 4589882 BHWPEGRREYUTGZ-UHFFFAOYSA-N 399.446 4.893 10 40 GJCB Oc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccnc2)cc1 10215406 RSMMAABWFWTLQW-FPOVZHCZSA-N 377.831 4.683 10 40 GJCB Cc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)oc2c(Cl)cccc12 10906340 RZJIUAUFEPVWOD-UHFFFAOYSA-N 398.890 4.503 10 40 GJCB [N-]=[N+]=N[C@@H]1CC(=O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 12376002 WTZXQZQYGIQSLZ-FGZHOGPDSA-N 399.450 4.990 10 40 GJCB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 218687118 VUWBEOXGTKCJOT-VQTJNVASSA-N 380.532 4.876 10 40 GJCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)cc(Cl)c1O 668180 IOQAFNONXFOGSU-MDWZMJQESA-N 391.254 4.904 10 40 GJCB COCCCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S 9189324 MTDGJJWTERFAEH-RGEXLXHISA-N 399.537 4.503 10 40 GJCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 13615440 GPVNEYGIFCJEQU-JTDSTZFVSA-N 381.388 4.728 10 40 GJCB CC(=O)Nc1cc(NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)ccc1F 58050653 AOKQVMGDVSGHKM-UHFFFAOYSA-N 379.435 4.752 10 40 GJCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 59435443 DBGVEGZQCWQXMB-YBEGLDIGSA-N 394.298 4.999 10 40 GJCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N(CC)CC)cc3)N21 222644699 VJKXSGDNWXCDNU-DUXKGJEZSA-N 380.561 4.907 10 40 GJCB CCOc1ccc(/C=C2/SC(Nc3ccc(C)cc3C)=NC2=O)c(OC)c1 5371038 TWDPWPIBQKQPLX-YBFXNURJSA-N 382.485 4.793 10 40 GJCB CC(=O)N1N=C(c2cc(Cl)ccc2O)C[C@@H]1c1ccc(Br)cc1 6262347 SSANDLNEFUUDLW-MRXNPFEDSA-N 393.668 4.506 10 40 GJCB COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1O 13769760 UAORIHGLHBYAID-CHHVJCJISA-N 395.864 4.599 10 40 GJCB CCCN(CCC)CN1C(=O)S/C(=C\c2ccc(N(CC)CC)cc2)C1=O 33286109 VRHRFXALEYSARP-CYVLTUHYSA-N 389.565 4.649 10 40 GJCB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 218972853 QYHDTIDSPIUPFO-PMACEKPBSA-N 380.532 4.876 10 40 GJCB COc1ccc(/C=C2/N=C(c3ccccc3)N(c3cccc(C)c3)C2=O)cc1OC 408761662 ALPPGODWHSVNLY-RCCKNPSSSA-N 398.462 4.847 10 40 GJCB COc1ccccc1N1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O 409059940 YZQCVGUAERIHOZ-RGEXLXHISA-N 380.469 4.536 10 40 GJCB CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC 16692770 AIDZOTHKQNFZEE-UNOMPAQXSA-N 399.537 4.804 10 40 GJCB COc1ccc(OC)c(/C=C2/SC(Nc3cccc(Cl)c3C)=NC2=O)c1 33321653 JOIXXOSDLBQECH-LICLKQGHSA-N 388.876 4.748 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccccc1OC 59566391 AIXBPDSGRSLFHM-ZHZULCJRSA-N 391.467 4.696 10 40 GJCB O=C1/C(=C\c2cccs2)N=C(c2ccc(Cl)cc2)N1c1ccc(O)cc1 408757685 BNWGBJUCVWBDEV-LDADJPATSA-N 380.856 4.942 10 40 GJCB CC1(C)C[C@H]2C[C@](C)(CN2Cc2c(O)ccc3c4c(c(=O)oc23)CCCC4)C1 4422075 SCSBZQIUAIKSBS-OWJWWREXSA-N 381.516 4.778 10 40 GJCB CCOC(=O)c1ccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)cc1 21729005 CFOLCQCBYGZHBA-JOCHJYFZSA-N 399.450 4.714 10 40 GJCB C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(c2cccc(O)c2)C1=O 54360765 BCJDOPHFHFKIPO-HIPMGEKLSA-N 381.478 4.505 10 40 GJCB COc1ccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c(OC)c1OC 57736850 OGEJEEZSLFAWJS-UHFFFAOYSA-N 394.471 4.681 10 40 GJCB CC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1ccc(N)c([N+](=O)[O-])c1 65090445 HHPYJCDBNRODOQ-UHFFFAOYSA-O 375.861 4.610 10 40 GJCB CC(=C\c1ccccc1)/C=C1/SC(=S)N([C@@H](C(=O)O)c2ccccc2)C1=O 974444 BPNJKEMCBOUUAM-SYBKQGBCSA-N 395.505 4.660 10 40 GJCB Oc1c(Cl)cc(Cl)cc1[C@@H]1CC(c2ccc(Br)cc2)=NN1 15227264 IKFYAJAEWMYKIV-AWEZNQCLSA-N 386.076 4.900 10 40 GJCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccccc3OC(C)C)C2=O)c(C)c1 59860280 DBGMHSOAVVOFFQ-SFQUDFHCSA-N 378.428 4.597 10 40 GJCB COc1ccc(C2=C/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)O2)cc1 5744566 VMKQLZUQVMYYDU-FOWTUZBSSA-N 389.363 4.845 10 40 GJCB COc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2ccc(C)cc2C)c1C 6781008 ROPPJHTZGZVFMT-UHFFFAOYSA-N 376.456 4.541 10 40 GJCB O=C(O)CC/C(=C/c1ccc(N2CCOCC2)cc1)c1nc2ccccc2s1 33732509 UWKSDRKFNGVQJG-ICFOKQHNSA-N 394.496 4.538 10 40 GJCB Oc1ccccc1[C@@H](c1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1 95944188 LSJYFIPTWRSYDP-XMMPIXPASA-N 392.930 4.953 10 40 GJCB COc1ccc(/C=C2/SC(=S)N(CNc3ccc(Cl)cc3)C2=O)cc1 3044309 DWWRMJYLOORMMN-MHWRWJLKSA-N 390.917 4.619 10 40 GJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)SC1=S 3218940 QZGXBJMMYJRLSD-YBEGLDIGSA-N 376.934 4.969 10 40 GJCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 4172134 IKLGKAYKRLAFHQ-XFQAVAEZSA-N 394.427 4.607 10 40 GJCB CCOc1ccc(/C=C2/SC(=S)N(CNc3ccc(C)cc3C)C2=O)cc1 5332858 TWRUXTNFVQIPNY-XDHOZWIPSA-N 398.553 4.973 10 40 GJCB CCOc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2cccc(C)c2C)c1C 6781035 VNVNVXZACVGQIW-UHFFFAOYSA-N 390.483 4.931 10 40 GJCB O=C1N=C(Nc2cccc(Br)c2)S/C1=C/C=C/c1ccco1 16669657 IDQRWAWTJJMWBU-BOAPOFAJSA-N 375.247 4.681 10 40 GJCB O=C1/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1Cc1ccccc1 1168166 ZINMHTPBJNZXPT-DHDCSXOGSA-N 390.873 4.650 10 40 GJCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccc3C)C2=O)cc1 1181312 DKXNHVYZQOPMLT-QGOAFFKASA-N 396.537 4.533 10 40 GJCB COC(=O)c1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21 4959461 AKNZEKOLMKDERA-SPKLELGKSA-N 384.819 4.861 10 40 GJCB COc1ccccc1Oc1c(C)oc2c(CN3CCCCC3)c(O)ccc2c1=O 20395132 RSSLWFUAULMJRG-UHFFFAOYSA-N 395.455 4.594 10 40 GJCB biogenic CCC(CC)C1=NN2C(=N)/C(=C\c3cccc4ccccc34)C(=O)N=C2S1 33888830 ORBRILLNAZNWSM-ACUDIFQKSA-N 376.485 4.895 10 40 GJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(Br)cc1 100535677 GBAJYLXGOHSYEU-MHWRWJLKSA-N 390.668 4.821 10 40 GJCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N(CC)CC)cc3)N21 222644555 VJKXSGDNWXCDNU-JRGCBEDISA-N 380.561 4.907 10 40 GJCB Cc1cc(O[C@@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)cc(C)c1Cl 13612930 OZEIOVZFKCREMK-KRWDZBQOSA-N 386.923 4.641 10 40 GJCB CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1O 16688761 CFLULKWQNZYAGV-WQRHYEAKSA-N 385.510 4.501 10 40 GJCB CCN(CC)Cc1c(O)c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc12 20292135 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COc1ccc(/C=C2/SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)cc1 7275346 ZKXRRDBCXXXWNJ-OQLLNIDSSA-N 378.375 4.796 10 40 GJCB CCn1c(C)cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c1C 14009897 XMWSFXQAQZPDHN-IUXPMGMMSA-N 392.286 4.525 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl 103365640 OCWQWKIINKAYQX-NTUHNPAUSA-N 376.199 4.708 10 40 GJCB C[C@H](NC(=O)COc1ccccc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 218850144 GLGDWJFKKBCMTB-SJORKVTESA-N 386.923 4.833 10 40 GJCB C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4ccccc4c3)cc2)C1 223701429 DYMIZLQHSFAWFD-GOSISDBHSA-N 394.540 4.555 10 40 GJCB Cc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1 409090627 MNJMZOSFDAGGRP-MOSHPQCFSA-N 397.906 4.973 10 40 GJCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3Cl)C2=O)ccc1O 16683882 HDLQFGUBTOBHKV-MHWRWJLKSA-N 391.901 4.850 10 40 GJCB CCN1C(=O)/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)SC1=S 33658149 PNXIAFZFFWULOW-LCYFTJDESA-N 387.511 4.528 10 40 GJCB O=C1NC(=S)S/C1=C/c1ccc(OCc2ccc3ccccc3c2)cc1 220274791 LASKJUOFFMTYHC-XDHOZWIPSA-N 377.490 4.908 10 40 GJCB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(SC)cc1 408770307 VWXJHABDSBJDJT-KWPCUBQOSA-N 393.508 4.842 10 40 GJCB CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)C1=O 409013165 LUYRGTKUYYOEIT-HWQJWEFDSA-N 398.484 4.627 10 40 GJCB CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(O)c(Cl)c3)SC2=S)cc1 409326879 FVFBLSAFYPFCAN-MHWRWJLKSA-N 390.917 4.517 10 40 GJCB O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1C[C@H]1CCCO1 2247129 PIOBSHZKAIIUIZ-ZJYZBMPFSA-N 397.521 4.859 10 40 GJCB Cc1oc(-c2ccccc2)nc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 10962210 NXYPGRGAURLEER-UHFFFAOYSA-N 389.499 4.913 10 40 GJCB CC[C@H](c1ccc(O)c(CN2CCN(C)CC2)c1)[C@@H](CC)c1ccc(OC)cc1 19366909 ORAVMMPYPPCELG-BJKOFHAPSA-N 396.575 4.836 10 40 GJCB COc1ccc([C@@H]2CC(c3cccc4ccccc34)=NN2C(=O)CN=[N+]=[N-])cc1 102828654 GPFQZCANJSZVDP-NRFANRHFSA-N 385.427 4.836 10 40 GJCB CC(C)(C)c1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc(C(C)(C)C)c1O 408769558 NYBMAQQFKDNFAI-UHFFFAOYSA-N 386.488 4.741 10 40 GJCB CC1=CSC2=NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=N)N12 4661145 LLBMGVNZAHXEPR-PQOWSYMHSA-N 396.903 4.915 10 40 GJCB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(N2CCCCC2)cc1 22525737 HJVJBRICWIFHSW-JOCHJYFZSA-N 380.532 4.768 10 40 GJCB Cc1ccc(-c2cnc(SCC(=O)NC(C)C)n2Cc2ccccc2)cc1 44086336 YZDVRFFKYVLRQM-UHFFFAOYSA-N 379.529 4.524 10 40 GJCB CC(=O)Nc1nn(-c2ccccc2)c(O)c1/N=N/c1cccc(C(F)(F)F)c1 101553789 NINLOUSABBEDME-WCWDXBQESA-N 389.337 4.971 10 40 GJCB Cc1ccc(CN(Cc2cc(C)n(-c3ncccc3C)c2C)C[C@@H](C)O)s1 19237889 PTZBZVXIHZIJIS-QGZVFWFLSA-N 383.561 4.550 10 40 GJCB COc1ccc(-c2c(C)oc3c(CN4CCCCCC4)c(O)ccc3c2=O)cc1 20357623 MOGIXMSMXWDBAX-UHFFFAOYSA-N 393.483 4.859 10 40 GJCB biogenic O=C1OC2(CCCCC2)N(c2ccccc2)C(=O)/C1=C\Nc1ccc(Cl)cc1 104215155 HASOBUMCPJZHJK-XDJHFCHBSA-N 396.874 4.886 10 40 GJCB CCc1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 218956704 SWKUXNDLUOOLBK-LJQANCHMSA-N 380.532 4.742 10 40 GJCB Cc1cccc(CN2C(=O)S/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)c1 409067329 QGIWVKAFCJBFSA-MOSHPQCFSA-N 396.487 4.971 10 40 GJCB O=C1/C(=C\c2ccccc2Cl)SC(=S)N1CNc1cccc(F)c1 1445042 QFCPGCODYLNQGD-OVCLIPMQSA-N 378.881 4.750 10 40 GJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccccc1Br 5518597 FKPSYRUYZUUUNZ-LFIBNONCSA-N 384.277 4.784 10 40 GJCB CCOc1ccccc1NC1=NC(=O)/C(=C/c2cn(C)c3ccccc23)S1 6870660 POJSSAXRENJTBX-UNOMPAQXSA-N 377.469 4.659 10 40 GJCB C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(c2cccc(O)c2)C1=O 54360766 BCJDOPHFHFKIPO-XACIZNRCSA-N 381.478 4.505 10 40 GJCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(/N=N/c2ccccc2)cc1O 58865783 DWZWEWVBHSVIDI-WCWDXBQESA-N 392.411 4.951 10 40 GJCB COc1cccc(CN/C(C)=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c1 112124734 WSTHIIBMPPMEAX-NKFKGCMQSA-N 397.478 4.510 10 40 GJCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C\c2ccc(N(C)C)cc2)cc1 18173323 OQQBIAZFBURAEC-QJOMJCCJSA-N 397.478 4.596 10 40 GJCB CC(C)(C)N1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 6563330 IKQRVBAPYOFBRX-GDNBJRDFSA-N 388.470 4.855 10 40 GJCB C[C@H]1C[C@H]1c1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)o1 11915291 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CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OC 33761558 OKOBYKRLYUCKRP-LTGZKZEYSA-N 398.462 4.928 10 40 GJCB CN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC1=S 33849923 MLWASJMNUKLFCK-UYRXBGFRSA-N 394.521 4.551 10 40 GJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1nnc(-c2ccccc2)s1 101114509 JHVJJANGYUCKHL-LFIBNONCSA-N 395.875 4.577 10 40 GJCB Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl 140010881 BOJVSRKVNCWCIX-HNNXBMFYSA-N 389.952 4.533 10 40 GJCB Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccc(-c2ccccc2)cc1 408742259 QJDJYBUJBMERBB-UHFFFAOYSA-N 376.525 4.769 10 40 GJCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OC 409330358 LIVXRVAKSRJNHR-LDADJPATSA-N 385.510 4.808 10 40 GJCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 5372232 XWSIZNHVZFYXQL-GALPWFBBSA-N 395.933 4.654 10 40 GJCB Cc1cc([C@@H]2NN=C(c3ccccc3)S2)c(C)n1-c1cccc([N+](=O)[O-])c1 6962045 QDXDDLXZQSNBSZ-HXUWFJFHSA-N 378.457 4.699 10 40 GJCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(C)c3)N21 222676423 GXQQBLYHASZPFY-BVYCBKJFSA-N 392.572 4.970 10 40 GJCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2F)c1C 222783651 YNLDXKXYPKFDTQ-SFTDATJTSA-N 394.519 4.621 10 40 GJCB O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC3CSC3)cc1)N2 408736276 OXRYCASBTNAHAS-LQWHRVPQSA-N 380.469 4.916 10 40 GJCB Cc1ccc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1C 7379047 UNHSXEXFJRQOOB-UHFFFAOYSA-N 376.456 4.506 10 40 GJCB COc1ccc2ccc(O)c(CN3CCC(CN4CCCCCC4)CC3)c2c1 32926902 XLHBMGQRULQJMR-UHFFFAOYSA-N 382.548 4.642 10 40 GJCB Cc1ccc(CN(CCCn2ccnc2)Cc2ccc(N3CCCC3)c(F)c2)o1 36740261 XDLDVYGKYWDOIE-UHFFFAOYSA-N 396.510 4.616 10 40 GJCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(C(=O)OCC)cc1 112123019 YLUXPGXXQKFIBS-PGMHBOJBSA-N 391.471 4.752 10 40 GJCB O=C1NC(=S)S/C1=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1 408532850 WIAAEEKOJUALJH-NVNXTCNLSA-N 379.865 4.547 10 40 GJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccccc4)cc3)C2=O)c1 408900505 TYRGWTGNKQLNEM-PXLXIMEGSA-N 396.446 4.637 10 40 GJCB COc1ccc(O)c([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)c1 4867773 GASJBOUTBIYQKF-HXUWFJFHSA-N 380.831 4.825 10 40 GJCB CCOC(=O)/C=C(\C)N1N=C(c2cccs2)C[C@@H]1c1cc(Cl)ccc1O 80325241 KQYNFYDFHXGVSU-ONOODXEBSA-N 390.892 4.725 10 40 GJCB COC(=O)c1sccc1NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl 84191422 UHCNUGLVHOLEQU-UHFFFAOYSA-N 388.876 4.848 10 40 GJCB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1ccccc1 100511038 AUFGRUQDTXDETL-CCWVLBSLSA-N 375.457 4.994 10 40 GJCB CCc1ccc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(C)=C2C(=O)OC)cc1 409061143 WAZJBIIBXCQIAZ-STZFKDTASA-N 375.468 4.743 10 40 GJCB CCn1c(-c2ccc(O)c(O)c2)csc1=Nc1cccc(C(F)(F)F)c1 583501184 DJTJLMANSWAFNR-UHFFFAOYSA-N 380.391 4.899 10 40 GJCB Cc1c(/C=C2\SC(=S)NC2=O)c2ccccc2n1Cc1ccc(F)cc1 4663282 SZDZWEAPRYTBDH-ZDLGFXPLSA-N 382.485 4.626 10 40 GJCB CCC1(O)[C@@H](C)[C@@H](c2ccc(N(C)C)cc2)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]1C 5444263 KJQBZHDKPAMYIE-UGITZUONSA-N 395.591 4.618 10 40 GJCB Cc1cccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2)c1 408763303 MPPWXLBBKIZEFP-DEDYPNTBSA-N 382.419 4.558 10 40 GJCB CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)C1=O 409021023 WYXQHCZVAAFEES-HWQJWEFDSA-N 398.484 4.627 10 40 GJCB C[C@@H](Oc1ccccc1)C(O)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 2043341 QIZPNNNHISBEDU-LJQANCHMSA-N 390.527 4.522 10 40 GJCB CCN(CCO)Cc1cc(Nc2c3ccccc3nc3ccccc23)ccc1O 4366365 YETIACSWUXENPF-UHFFFAOYSA-N 387.483 4.651 10 40 GJCB Oc1ccccc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@@H]2c1cccnc1 6721636 MSENSSDQASDNBY-WIYYLYMNSA-N 377.831 4.683 10 40 GJCB Cc1c(C(=O)NCc2ccc(N(C)C)cc2)sc2nc(C(F)(F)F)ccc12 29762012 RXAWGADTPSTXDJ-UHFFFAOYSA-N 393.434 4.620 10 40 GJCB COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 225654297 BHUQQBRRWBBJAW-KRWDZBQOSA-N 383.561 4.979 10 40 GJCB Cc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)cc1 408754741 HUYUVSYMOXTHOL-HAVVHWLPSA-N 381.479 4.896 10 40 GJCB CCN(CC)c1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 2279400 CMPLDWHPJJCOQV-AZBDZEDCSA-N 389.543 4.560 10 40 GJCB OCC1CCN(c2ccc(CNc3ncc(C(F)(F)F)cc3Cl)cc2)CC1 52446515 QQPZQIKPPRBWGB-UHFFFAOYSA-N 399.844 4.575 10 40 GJCB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCCC3)c(Cl)c2)S1 222638647 RFUMPHHEJSWRQP-UAOJZALGSA-N 398.963 4.925 10 40 GJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2)c1C 222871400 HTRUQBBZEUGSBY-VXKWHMMOSA-N 390.556 4.872 10 40 GJCB COc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260455498 YFBSMINBLPQVAH-IPMKNSEASA-N 396.531 4.576 10 40 GJCB COCCn1c(C)cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c1C 409127442 HMLWTUWDSQESEN-AQTBWJFISA-N 392.590 4.533 10 40 GJCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=O)NC2=S)cc1 2439667 MJGRXGYXUCMZLH-GZTJUZNOSA-N 393.493 4.673 10 40 GJCB Oc1ccc(C2(c3ccc(O)c(O)c3)c3ccccc3-c3ccccc32)cc1O 90711570 RAIOQXXWEGZKAI-UHFFFAOYSA-N 382.415 4.872 10 40 GJCB in-vitro COc1ccc2nc(N/C=C3/C(=O)N(c4ccc(C)cc4C)N=C3C)sc2c1 101122637 KPMGUMPUHSNAOM-LFIBNONCSA-N 392.484 4.640 10 40 GJCB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N(CC)CC)cc1 224024934 NMXIYMGGRUCFQT-DEOSSOPVSA-N 394.559 4.885 10 40 GJCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)C1 260466244 JRAKZVQEXSSXMO-KBFWMCMQSA-N 392.499 4.542 10 40 GJCB COc1cc(OC)cc(C(=O)Oc2ccc(Cl)cc2-n2c(C)ccc2C)c1 686336 FPNLTOSGDDMRDS-UHFFFAOYSA-N 385.847 4.984 10 40 GJCB Cc1ccc(-n2c(C)cc(/C=C3\NC(=S)N(C4CCCCC4)C3=O)c2C)cc1 3667791 NPQHGPJAVYKUOS-STZFKDTASA-N 393.556 4.793 10 40 GJCB Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2c2ccccc2)cc1 4728891 UHCHMDNUQCQVBA-MOSHPQCFSA-N 382.419 4.558 10 40 GJCB COC(=O)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 6950639 DXIQTOOQVNHRSN-ZJNRKIDTSA-N 384.819 4.861 10 40 GJCB CCC1(O)[C@@H](C)[C@@H](c2ccc(N(C)C)cc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]1C 8818419 KJQBZHDKPAMYIE-IJYKJPCMSA-N 395.591 4.618 10 40 GJCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C\c1ccc(Cl)cc1Cl 20227021 LTUKNQIFHDUDLN-AUWJEWJLSA-N 393.251 4.774 10 40 GJCB COc1ccc(-c2coc3c(CN4C[C@@H](C)C[C@@H](C)C4)c(O)ccc3c2=O)cc1 41583924 IJQSLXSXRKXHES-IYBDPMFKSA-N 393.483 4.652 10 40 GJCB biogenic COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(OC)c1OC)N2 409164918 PQVBJRUMPFAKBE-NQCMUKECSA-N 399.874 4.970 10 40 GJCB O=C1/C(=C\C=C\c2ccc([N+](=O)[O-])o2)SC(=S)N1c1cccc(Cl)c1 16398885 AWFLAWHAOWFKFO-KSBORENUSA-N 392.845 4.803 10 40 GJCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=N)N12 103604768 LLBMGVNZAHXEPR-PSVHDLGESA-N 396.903 4.915 10 40 GJCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCc3ccccc3)C2=O)cc1 112124682 QWBQWVCNEXGNIE-NKFKGCMQSA-N 397.478 4.510 10 40 GJCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC3CSC3)cc1)N2 408736126 GSKMCSDLIHGLIS-LQWHRVPQSA-N 379.481 4.706 10 40 GJCB CCOc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 5372261 HQFDKIMVTLXIPJ-RGEXLXHISA-N 399.537 4.538 10 40 GJCB COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1O 15016190 RYPCGUFJRBGVJA-IIBYNOLFSA-N 378.453 4.705 10 40 GJCB COc1cccc(/C=C2/SC(=S)N(c3cccc(C)c3C)C2=O)c1OC 16666300 LJUQTHMYMPQRME-GZTJUZNOSA-N 385.510 4.726 10 40 GJCB CCCN1C(=O)/C(=C/C=C2/Sc3ccc(Cl)cc3N2C)SC1=S 17281669 IGPXLFHHZQMKMI-SBLPDQQFSA-N 382.963 4.878 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 83330185 CIYZTMZORXGPCP-MOSHPQCFSA-N 387.395 4.969 10 40 GJCB CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)C1=O 409086862 HNZYRSSJDZULGU-XSFVSMFZSA-N 397.544 4.997 10 40 GJCB C[C@H]1Cc2cc(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)ccc2O1 5419568 WHJXWLVCNUSNND-CHOGILEZSA-N 381.522 4.972 10 40 GJCB CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3ccccc3O)C[C@H]21 10215918 JRAKMLXXLKDSLP-VGSWGCGISA-N 376.412 4.626 10 40 GJCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(Cc2ccccc2F)C1=O 23382737 CFQCMRFJFGXQGE-MOSHPQCFSA-N 396.487 4.971 10 40 GJCB Cc1cccc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1C 260619517 NHRURVODYMLPDD-FXAWDEMLSA-N 380.532 4.796 10 40 GJCB COc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2c2ccc(OC)cc2)cc1 408761157 BVOGVPCDGUHXFQ-XSFVSMFZSA-N 390.464 4.600 10 40 GJCB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc2ccccc12 408976569 RMJPUQHBBKNLEM-QJOMJCCJSA-N 397.474 4.755 10 40 GJCB Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2C(F)(F)F)C3=O)cc1 2944683 AKHMRJRNAPOFIC-UHFFFAOYSA-N 398.340 4.881 10 40 GJCB Cc1ccc(C(=O)Nc2ccc(Cl)c3c2C(=O)c2ccccc2C3=O)cc1 4258644 QYDICSXJKMSFGG-UHFFFAOYSA-N 375.811 4.676 10 40 GJCB Cc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2CC(C)C)cc1 44085813 ZORALJFJXMNWGG-UHFFFAOYSA-N 386.546 4.702 10 40 GJCB Cc1cc(N2CCOCC2)ccc1CNc1ccc(CN2CCC(C)CC2)cc1 141532954 ZSRHVRSDMBAVNG-UHFFFAOYSA-N 393.575 4.676 10 40 GJCB Cc1cc(CNC(=O)c2ccc3nc(Cl)n(C)c3c2)c(C)n1-c1ccccc1 222564179 FVHXOVMTNSJCON-UHFFFAOYSA-N 392.890 4.564 10 40 GJCB COCCCN1C(=O)S/C(=C/c2ccc(N3CCCC3)c3ccccc23)C1=O 409232525 QPXCFVCOYWIZHH-HMMYKYKNSA-N 396.512 4.513 10 40 GJCB COc1ccccc1N1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)SC1=S 409344492 JNKUTENAXITBDB-XMHGGMMESA-N 396.537 4.701 10 40 GJCB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(N2CCCCC2)cc1 20450151 WCHKYCACQCRYLR-HSZRJFAPSA-N 380.532 4.768 10 40 GJCB CCc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)sc1C 69436359 YPIANGUBQXKUPF-HXUWFJFHSA-N 386.561 4.506 10 40 GJCB CCO[C@@]1(c2ccccc2)C[C@H](c2ccccc2)C2(O1)C(=O)c1ccccc1C2=O 863738 INKRWDBAPNARHJ-RDGATRHJSA-N 398.458 4.898 10 40 GJCB CCN1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cl)cc(Cl)c2O)N3)C1 4556422 KFXLEDWFTFXUQB-HNNXBMFYSA-N 398.315 4.567 10 40 GJCB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N3CCCC3)c(Cl)c2)S1 222638843 RFUMPHHEJSWRQP-KPOBHBOGSA-N 398.963 4.925 10 40 GJCB COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(O)cc3)C2=O)cc1 408758615 NVCPHIWOLCXLJZ-PXLXIMEGSA-N 384.435 4.544 10 40 GJCB COc1ccc(C2=N/C(=C/c3ccccc3OC)C(=O)N2c2cccc(C)c2)cc1 408760290 WEHSONJIIKOKKK-CJLVFECKSA-N 398.462 4.847 10 40 GJCB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(Cl)cc1 2272982 DFKLDOUCNHGNIF-NTEUORMPSA-N 376.846 4.654 10 40 GJCB Cc1ccc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1 5177635 LVNRNRZXLAFABB-MWQVBJQISA-N 380.517 4.975 10 40 GJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NCCc1c[nH]c2ccccc12 96602836 ROETVPHTNGFRDL-HMMYKYKNSA-N 390.462 4.526 10 40 GJCB Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)c1 222744970 QMZXYJIUORORAC-VXKWHMMOSA-N 390.556 4.708 10 40 GJCB C[C@@H](NC(=O)COc1cccc2c1CCCC2)c1ccc(N2CCCCC2)cc1 225008345 MNTWWGMAMMDLSK-LJQANCHMSA-N 392.543 4.812 10 40 GJCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N(CC)CC)cc3)N21 260784208 VJKXSGDNWXCDNU-UIFIKXQLSA-N 380.561 4.907 10 40 GJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 409168638 NJRFFPBBAXEHTD-QWQRMKEZSA-N 384.819 4.861 10 40 GJCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3cccc4ccccc34)S2)cc1 35043688 BQBGRRHBVDOERV-DEDYPNTBSA-N 387.464 4.881 10 40 GJCB CCn1cc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)N=C2O)c2ccccc21 51325980 SDOHFGKMYDTTDO-JPVKTXQWSA-N 387.439 4.725 10 40 GJCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OCC)SC2=S)cc1 96505094 ZXSRUJVZYIDPKA-QGOAFFKASA-N 385.510 4.890 10 40 GJCB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C1=C(O)CCCC1=N2 102716297 IMAOZMFJFLHRPW-NRFANRHFSA-N 387.439 4.806 10 40 GJCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3F)N21 222677157 XPWBYIODJRXRNA-IWMITWMQSA-N 396.535 4.800 10 40 GJCB CCN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C1=O 409245459 TZKYPAAIOSVDQG-JCMHNJIXSA-N 385.467 4.674 10 40 GJCB Cc1cc(C(=O)[C@@H](C)OC(=O)c2cccc(O)c2)c(C)n1-c1ccc(Cl)cc1 6120043 JEHOAGUQLAZHBR-OAHLLOKOSA-N 397.858 4.881 10 40 GJCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@@H](C)Oc3ccc(F)cc3)cc2)CC1 218701251 BNWIJBLKRMOXRR-ZWKOTPCHSA-N 384.495 4.707 10 40 GJCB O=C(Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O)c1ccc(F)cc1 5788645 YOYJEAZVWQCGRA-UHFFFAOYSA-N 379.774 4.507 10 40 GJCB O=C1N=C(Nc2cccc3ccccc23)S/C1=C\c1ccc([N+](=O)[O-])cc1 8436640 QFNGHOHNIJFVEL-PDGQHHTCSA-N 375.409 4.830 10 40 GJCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1Cl 9188649 DKOCFTRYLVHZAU-NVNXTCNLSA-N 390.873 4.962 10 40 GJCB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C/NC(=O)Nc1ccccc1C 95471086 AUDQNELMBCOCLV-XMHGGMMESA-N 384.439 4.576 10 40 GJCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1ccc(Cl)cc1 103917943 HOUHXSVMKFGFNA-PGMHBOJBSA-N 381.907 4.949 10 40 GJCB COc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 218750937 WJOSLVNGFBIHOW-RTBURBONSA-N 396.531 4.576 10 40 GJCB COc1ccccc1C1=N/C(=C/c2ccc(F)cc2)C(=O)N1c1ccc(C)cc1 408841879 IJJYLLAHKAJYBA-RCCKNPSSSA-N 386.426 4.977 10 40 GJCB COc1cc(Br)cc(CNc2ccc(Br)cc2)c1O 1060501 FHXWJHURCYGBBB-UHFFFAOYSA-N 387.071 4.538 10 40 GJCB O=C1N=C(Nc2ccc3ccccc3c2)S/C1=C\c1ccc([N+](=O)[O-])cc1 8436710 JLCROLXRHNHXKZ-WQRHYEAKSA-N 375.409 4.830 10 40 GJCB CCSc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccc(F)cc1S2 19802286 SPTSTXDKTQWLNQ-IBGZPJMESA-N 388.577 4.934 10 40 GJCB CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 260619349 KDLMNJRJHNKZQW-PWHSHALESA-N 380.532 4.958 10 40 GJCB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1cccc(C)c1 408582882 FPXNCEWHWLYCJJ-UNOMPAQXSA-N 379.481 4.594 10 40 GJCB Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(Br)c2C(C)C)cc1 947567 FCCSIHXPWIXCGW-UHFFFAOYSA-N 398.322 4.696 10 40 GJCB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2nc3ccccc3n2C)SC1=S 5235999 PNIPZQAARRZOPE-VLURKWGBSA-N 379.510 4.536 10 40 GJCB C[C@@H]1Cc2cc(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)ccc2O1 5419559 WHJXWLVCNUSNND-SLIIDIDTSA-N 381.522 4.972 10 40 GJCB Oc1ccc(C2=NN3[C@H](c4ccncc4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 102907380 AVJQABJNILUNCY-CTNGQTDRSA-N 377.831 4.683 10 40 GJCB CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)N=C2c2ccccc2)cc1 408762512 BWGBGQYYVYSJFC-HAVVHWLPSA-N 398.462 4.928 10 40 GJCB Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1cccc(C(F)(F)F)c1 6831901 PSUFSMQNONVZDG-UHFFFAOYSA-N 397.447 4.939 10 40 GJCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3ccc(F)cc3)cc2)CC1 218701182 BNWIJBLKRMOXRR-QZTJIDSGSA-N 384.495 4.707 10 40 GJCB COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccccc3)C2=O)c(OC)c1 408759462 FLNWSLNJKJDUSZ-PXLXIMEGSA-N 398.462 4.847 10 40 GJCB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 4541601 MDJOBVFFGOOWSY-UHFFFAOYSA-N 376.456 4.506 10 40 GJCB Oc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccn2)cc1 10215407 DMMCULBQLJMFAT-PZJWPPBQSA-N 377.831 4.683 10 40 GJCB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(N2CCCCC2)cc1 219040774 JSURIABGBXXEEY-LJQANCHMSA-N 388.511 4.914 10 40 GJCB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260619352 KDLMNJRJHNKZQW-YDHSSHFGSA-N 380.532 4.958 10 40 GJCB COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccccc1 409017054 DSMLJNXTFOOXDZ-BOPFTXTBSA-N 387.357 4.583 10 40 GJCB COc1ccc(-c2ccc(CCC(=O)O)n2CCOc2ccc(C)cc2)cc1 409375226 HLLQMDPGGLOVPQ-UHFFFAOYSA-N 379.456 4.568 10 40 GJCB Cc1cc([C@@H]2NN=C(c3ccccc3)S2)c(C)n1-c1ccc(N(C)C)cc1 6961709 VZKCXWJEBIANDL-JOCHJYFZSA-N 376.529 4.857 10 40 GJCB CCN(CC)c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)c1 222563641 VPMZQZFYZVJLTR-ORYQWCPZSA-N 380.561 4.826 10 40 GJCB CCN(CCCNC(=S)Nc1ccc(OC(C)C)cc1)c1ccc(C)cc1 225734656 CSTPCQNQESTUMZ-UHFFFAOYSA-N 385.577 4.985 10 40 GJCB CCN(CC)c1ccc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc1 1409513 PBBQXLZGOFZIOY-IBGZPJMESA-N 393.516 4.610 10 40 GJCB COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 4258571 NLASSTUTATZQEA-JWGURIENSA-N 384.435 4.538 10 40 GJCB CC(C)(C)c1ccc(OCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1 218932208 YRHMMSQBSGPAGQ-UHFFFAOYSA-N 380.532 4.670 10 40 GJCB O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1CCc1ccccc1 409211151 MZOADLQOFXGPBI-CAPFRKAQSA-N 378.497 4.566 10 40 GJCB COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN=[N+]=[N-])cc1 141984651 BOFGYYNVPGMZQM-NRFANRHFSA-N 385.427 4.836 10 40 GJCB CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)cc1 222738424 PPTMCUJOUGMGBA-FCHUYYIVSA-N 390.556 4.654 10 40 GJCB CCN1C(=O)/C(=C\C=C2/Sc3ccc(Cl)cc3N2CC)SC1=S 5003891 ZHTUWYKCQFHRAT-GUZOQHLSSA-N 382.963 4.878 10 40 GJCB CCN(CC)c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(OC)c1 222604243 CIYDLICFNYSYRJ-IWMITWMQSA-N 396.560 4.526 10 40 GJCB CSc1cccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c1 409347795 RCGMIIPGEMUEDT-LZYBPNLTSA-N 387.507 4.543 10 40 GJCB CCOc1cc(/C=C2\SC(S)=NC2=O)ccc1OCc1ccc(C)cc1 6961224 RRCZREPQDQDYFO-WQRHYEAKSA-N 385.510 4.873 10 40 GJCB COc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3cc(C)ccc3O)C[C@H]21 102907460 GZAQNVKHLVZTIJ-VGSWGCGISA-N 376.412 4.545 10 40 GJCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccccc12 103918180 VAWSBGXOKSVRRD-QJOMJCCJSA-N 386.499 4.777 10 40 GJCB Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C 222744691 RYCNLVWNLGFJTD-UNMCSNQZSA-N 390.556 4.708 10 40 GJCB CCCCOC(=O)[C@@H](CC)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 1778891 PCUPFZKKWTVGPL-HXUWFJFHSA-N 380.440 4.961 10 40 GJCB Cc1ccc([S@](C)(=O)=Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 101367759 KVLLQUPYHFLHFX-MHZLTWQESA-N 375.449 4.559 10 40 GJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)C1 217894994 HFBLIWWXYSBMPM-UBAQAOMRSA-N 393.487 4.722 10 40 GJCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3C)N21 222676166 HDPNXQQEDUUBRD-VOQZNFBZSA-N 392.572 4.970 10 40 GJCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(C)c3)N21 222676480 GXQQBLYHASZPFY-YUXAGFNASA-N 392.572 4.970 10 40 GJCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1cccc(O)c1 408738874 PMVLECGTPAYPCU-QGOAFFKASA-N 384.391 4.772 10 40 GJCB Cc1ccc2nc(NNC(=S)Nc3ccccc3)nc(-c3ccccc3)c2c1 1295472 KFKZPNNZOPIWNE-UHFFFAOYSA-N 385.496 4.919 10 40 GJCB CCOc1ccc(Br)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C 1445603 QVCBCYPNFBKJNT-SFQUDFHCSA-N 385.261 4.654 10 40 GJCB COc1ccccc1-c1c(C)oc2c(CN3CCC[C@@H](C)C3)c(O)ccc2c1=O 20410406 ZSTKORZWCOWYNF-OAHLLOKOSA-N 393.483 4.715 10 40 GJCB biogenic Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCCC1 222592927 KEFZTZMQWLSRCJ-DQLDELGASA-N 378.545 4.580 10 40 GJCB COc1ccc(C2=C/C(=C/c3cccn3-c3ccccc3F)C(=O)O2)c(OC)c1 5529693 PWUQPKFGOULPAF-QINSGFPZSA-N 391.398 4.615 10 40 GJCB CCn1cc(/C=C2\C(=O)N(c3ccccc3C)C(=S)N=C2O)c2ccccc21 33366546 ONLQFJFHTDPHBC-ATVHPVEESA-N 389.480 4.641 10 40 GJCB COc1ccc(OC)c(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c1 13602856 KJWJNJDAJJBQKM-SXGWCWSVSA-N 391.901 4.763 10 40 GJCB COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCCC[C@@H]3C(F)(F)F)c2C)cc1 27881769 TUHXNOHOGKPZDW-RBUKOAKNSA-N 394.437 4.954 10 40 GJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(Cl)cc1 222740110 RFDLMHGOMACYPO-PMACEKPBSA-N 396.947 4.745 10 40 GJCB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2O)n2c(nc3ccccc32)N1 14164615 BIFVGJFKOYUDKQ-JOCHJYFZSA-N 396.450 4.670 10 40 GJCB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCCC3)c(Cl)c2)S1 222638706 RFUMPHHEJSWRQP-GKCIPKSASA-N 398.963 4.925 10 40 GJCB CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1CCCCC1 1340036 MMEJITHSJMZHGL-UHFFFAOYSA-N 391.968 4.964 10 40 GJCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(Cl)c1Cl 409003307 ZJNBSJOWTGUJOC-PTNGSMBKSA-N 388.250 4.871 10 40 GJCB CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2cccs2)cc1 666434 KQSRYPRTYGKWAE-FQEVSTJZSA-N 375.497 4.806 10 40 GJCB O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1c1cccc(O)c1 4471491 JKSVPXLKETYPRQ-RIYZIHGNSA-N 392.299 4.561 10 40 GJCB CN(C(=O)CSc1ncc(-c2ccccc2)n1C)[C@H]1CCCc2ccccc21 7131202 KSIHAFFZQIIXJU-FQEVSTJZSA-N 391.540 4.715 10 40 GJCB COc1ccc2c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c[nH]c2c1 54360784 CVUISSPRWAYCLB-NVMNQCDNSA-N 380.494 4.578 10 40 GJCB COc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260905931 TXWANPPXKJRGSZ-OALUTQOASA-N 380.532 4.742 10 40 GJCB Cc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2)cc1 408754684 LEJAYXJSGOAVMS-RCCKNPSSSA-N 383.407 4.738 10 40 GJCB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)SC1=S 409204370 GBKBMEAJXKCBJR-ZROIWOOFSA-N 382.432 4.661 10 40 GJCB CSc1c(C(=O)Nc2ccccc2C)ccc2c1C(=O)c1ccccc1C2=O 4451875 QWASAWAWWMYHJA-UHFFFAOYSA-N 387.460 4.745 10 40 GJCB COc1cccc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)nc12 9419391 ZZGXIANCAAWGMD-LDADJPATSA-N 392.505 4.645 10 40 GJCB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(N2CCCC2)cc1 216318699 LBPMUNFTSBKDFN-XMMPIXPASA-N 388.511 4.914 10 40 GJCB CCN(CC)C(=S)SCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 3166274 OLNHNLQFLATNDR-UHFFFAOYSA-N 378.538 4.776 10 40 GJCB O=C1/C(=C/c2ccccc2OC(F)F)SC(=S)N1c1ccc(F)cc1 12619198 KOLUDRIUPFIIAI-ZROIWOOFSA-N 381.400 4.833 10 40 GJCB Cc1ccccc1COc1ccc(Cl)cc1/C=C1\SC(=S)NC1=O 13895436 GPSHLSVDVYQVHJ-SXGWCWSVSA-N 375.902 4.716 10 40 GJCB Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)c1 408644564 GUYYCOGUFRWZLL-UHFFFAOYSA-N 376.456 4.506 10 40 GJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 409151500 HJNULKZPBGQDPX-QWQRMKEZSA-N 384.819 4.861 10 40 GJCB COc1cccc(Oc2coc3c(CN4CCCC[C@@H]4C)c(O)ccc3c2=O)c1 5219028 NKOSXXUTYNCMTD-HNNXBMFYSA-N 395.455 4.674 10 40 GJCB biogenic C[C@H](COc1ccccc1)COc1ccccc1/C=C1\SC(=S)N(C)C1=O 13894777 KHELLLLIXXNPNH-VUFYJBQKSA-N 399.537 4.612 10 40 GJCB Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)c1 222744425 WOYCRHPAYNOLON-VXKWHMMOSA-N 390.556 4.708 10 40 GJCB CCOc1c(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cccc1OC 409347524 QDOZFDOUUGRPHI-WJDWOHSUSA-N 389.473 4.639 10 40 GJCB COc1ccc2nc(N/C=C3/C(=O)N(c4ccc(C)c(C)c4)N=C3C)sc2c1 5518629 ZYRYBYSVIXPHAM-GZTJUZNOSA-N 392.484 4.640 10 40 GJCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O 409206178 IFPISAZZQVAUKV-CPNJWEJPSA-N 397.569 4.551 10 40 GJCB CCN1C(=O)/C(=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)SC1=S 409349179 UTLFNDJMHVADTK-SXGWCWSVSA-N 388.470 4.693 10 40 GJCB CCOC(=O)c1c(CSCc2ccccc2)oc2ccc(O)c(CN(C)C)c12 1256107 CLZSZXFWIQZEED-UHFFFAOYSA-N 399.512 4.810 10 40 GJCB CCC1(O)[C@@H](C)[C@@H](c2ccc(N(C)C)cc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]1C 4331738 KJQBZHDKPAMYIE-MQQADFIWSA-N 395.591 4.618 10 40 GJCB COc1ccc(C(=O)c2coc3c2c(CN(C)C)c(O)c2ccccc23)cc1 20410878 NMYQGMYVHOKQSQ-UHFFFAOYSA-N 375.424 4.593 10 40 GJCB biogenic CN1C(=O)/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)SC1=S 38201418 ZLIFAQBNZUMECO-VCHYOVAHSA-N 382.485 4.660 10 40 GJCB COc1ccc(/C=C2/N=C(c3ccccc3)N(c3cccc(C)c3)C2=O)c(OC)c1 5548063 SZCAHZHFKOWFER-PXLXIMEGSA-N 398.462 4.847 10 40 GJCB CC1=NN(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(Cl)cc1 15134151 TTXUYWUXJCDQIO-SXGWCWSVSA-N 375.653 4.909 10 40 GJCB CCCn1cc(/C=C2\C(=O)N(c3ccccc3C)C(=O)N=C2O)c2ccccc21 33331314 LPUPIIHYMZYCBW-AQTBWJFISA-N 387.439 4.866 10 40 GJCB Cc1cccc(N[C@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)n1 45944548 VQNWSJCXINAUOY-IBGZPJMESA-N 376.847 4.894 10 40 GJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 222899114 AXNYWNGVXLODJR-SFTDATJTSA-N 376.529 4.563 10 40 GJCB Cc1ccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1C 4541581 IMETWAYJUQOQNS-UHFFFAOYSA-N 376.456 4.506 10 40 GJCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)Nc4ccccc43)c2C)cc1 6630645 KJMBITURMQVLJT-KGENOOAVSA-N 386.451 4.764 10 40 GJCB COc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2cccc(C)c2C)c1C 6781007 QGYXPKLMNOMQJH-UHFFFAOYSA-N 376.456 4.541 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(Cl)c1 12413438 BPEPFWFKQZBWDU-UYRXBGFRSA-N 397.858 4.616 10 40 GJCB O=S(=O)(Nc1nc(-c2ccccc2Cl)cs1)c1cccc(Cl)c1 12526124 NRCRKXNDVOGRSO-UHFFFAOYSA-N 385.297 4.918 10 40 GJCB C[C@H]1Cc2cc(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)ccc2O1 16810377 WHJXWLVCNUSNND-QRLNYVLISA-N 381.522 4.972 10 40 GJCB O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1F 409332812 RJXACTXUTIGJLQ-RIYZIHGNSA-N 394.836 4.793 10 40 GJCB Cc1ccc(N2C(=O)/C(=C\c3coc4ccccc4c3=O)SC2=S)cc1 409377212 GUJKCJYPFBDRKW-LICLKQGHSA-N 379.462 4.507 10 40 GJCB CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C 222738220 METCNPCYPGEDSP-VXKWHMMOSA-N 390.556 4.654 10 40 GJCB CCN(CCCNC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(C)cc1 225733761 NYRQRHPEHBYMNF-UHFFFAOYSA-N 379.932 4.991 10 40 GJCB CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC1=S 5171729 OPTHFFFCYGCPOT-RIYZIHGNSA-N 394.861 4.729 10 40 GJCB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(N2CCCCC2)cc1 20450154 WCHKYCACQCRYLR-QHCPKHFHSA-N 380.532 4.768 10 40 GJCB CSc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 223441211 RMCNNFBBACQXSB-UHFFFAOYSA-N 396.946 4.986 10 40 GJCB CCOc1ccc(/C=C2/SC(Nc3cccc(Cl)c3)=NC2=O)cc1OC 1838283 FYOSFBSFPKLMLS-LICLKQGHSA-N 388.876 4.830 10 40 GJCB O=C1N=C(Nc2ccc(Cl)cc2C(F)(F)F)S/C1=C/c1cccnc1 2454438 LGRJZMHRPQXXBQ-AWNIVKPZSA-N 383.782 4.836 10 40 GJCB Cc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc2c1O[C@H](C)C2 8917403 FTITUMRZRLXUEW-JPVKTXQWSA-N 395.549 4.762 10 40 GJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c2ccccc21 409193440 CPLBQPNHQFSCHV-FYJGNVAPSA-N 387.439 4.909 10 40 GJCB COc1ccc(/C=C2/SC(Nc3ccc(F)c(Cl)c3)=NC2=O)cc1OC 8493340 ZJDXGVZGIUACPJ-LZYBPNLTSA-N 392.839 4.579 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 13119748 NJSWJFJLQVKKQT-LFVJCYFKSA-N 398.510 4.966 10 40 GJCB COc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(Br)cc3)c2)cc1 216727214 BMBYCFMNZJQDEF-HXUWFJFHSA-N 399.288 4.784 10 40 GJCB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260577660 IKUVNXUMIKWATF-XUVXKRRUSA-N 380.532 4.876 10 40 GJCB CCOc1ccc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1OCC 647664 KRVUNWRAOHRMRN-DEDYPNTBSA-N 378.472 4.907 10 40 GJCB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@H]1/N=N/c1ccc(C)cc1 8385712 ZKXQBZWZTQJSIA-CCWVLBSLSA-N 375.457 4.994 10 40 GJCB O=c1cc(-c2ccccc2)c2cc(Cl)c(O)c(CNc3cccnc3)c2o1 13690342 LPNPMBRRXFBDIO-UHFFFAOYSA-N 378.815 4.826 10 40 GJCB COc1cccc(Oc2coc3c(CN4CCC[C@H](C)C4)c(O)ccc3c2=O)c1 20518592 QNZOGZCTVUHVJK-HNNXBMFYSA-N 395.455 4.531 10 40 GJCB CN(CCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 225570826 GZUUICHXUMKJEM-UHFFFAOYSA-N 387.858 4.782 10 40 GJCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C1=O 409239611 ZPISNHBUTUEYGX-CPNJWEJPSA-N 398.528 4.784 10 40 GJCB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccc(C)cc1 409367339 TWNZSWBGIDOLQZ-UNOMPAQXSA-N 379.481 4.594 10 40 GJCB CCN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1cc([N+](=O)[O-])ccc1O 1307205 VXZAZQDSIRDWLB-QFIPXVFZSA-N 386.411 4.704 10 40 GJCB Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2)cc1 408752682 JHIKHDXGTGGEME-HAVVHWLPSA-N 381.479 4.896 10 40 GJCB C[C@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc(N2CCCCC2)cc1 224369895 FDVZYYUUSOAVGT-IBGZPJMESA-N 392.543 4.812 10 40 GJCB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(Cl)cc1 409059603 QZVGONGNSXHLBM-PTNGSMBKSA-N 388.250 4.871 10 40 GJCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CCc2ccccc2)C1=O 409212667 RMWFVOVNTNCTBR-LTGZKZEYSA-N 392.524 4.874 10 40 GJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 8092241 HJNULKZPBGQDPX-GLJUWKHASA-N 384.819 4.861 10 40 GJCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(F)cc2)c1C 222784331 AXHGPIUJPOMDBH-LEWJYISDSA-N 394.519 4.621 10 40 GJCB CC1CCN(S(=O)(=O)c2ccc(/N=N/c3cc(Cl)ccc3O)cc2)CC1 4657152 PNKYGHMDGSTGLA-QZQOTICOSA-N 393.896 4.882 10 40 GJCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 8101593 UHCUSHJHMZRCCU-DAYGRLMNSA-N 384.819 4.861 10 40 GJCB CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)SC1=S 409348526 TVSLFMUPBKWSOV-RIYZIHGNSA-N 393.873 4.519 10 40 GJCB O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)c1ccccc1 924816 CBCJJXUUCJNJLW-LJQANCHMSA-N 378.497 4.704 10 40 GJCB COc1ccc(N2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)cc1Cl 2120931 CNQCKLXBVWSGKS-UHFFFAOYSA-N 385.847 4.737 10 40 GJCB biogenic CC(C)Oc1cc2c(c([N+](=O)[O-])c1)C=C[C@]1(O2)N(C)c2ccccc2C1(C)C 5093392 OFJPEKAZUUKQJQ-JOCHJYFZSA-N 380.444 4.912 10 40 GJCB Cc1oc2ccc(O)c(CN3CCC[C@@H](C)C3)c2c1C(=O)Nc1ccccc1 5182582 MBMRXFVFSYRHJW-OAHLLOKOSA-N 378.472 4.931 10 40 GJCB Cc1cccc(C)c1OCC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 6804320 CANOLRCKCQHUSA-UHFFFAOYSA-N 392.499 4.570 10 40 GJCB Cc1c(C)n(-c2cc(NS(=O)(=O)c3ccccc3)ccc2O)c2ccccc12 16779670 IWDDCPCBCZDDFQ-UHFFFAOYSA-N 392.480 4.754 10 40 GJCB COc1ccc([C@H]2N=C(c3ccc(F)cc3)C[C@H](c3ccccc3O)N2)cc1 80325048 ZEDFSBQGAYMBFW-GGAORHGYSA-N 376.431 4.762 10 40 GJCB Cc1ccc(C)c(OCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 218951630 TYPHAZICGSHAMN-HXUWFJFHSA-N 380.532 4.796 10 40 GJCB C[C@H]1Oc2ccccc2C=C1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 13775084 LKLNVJSWQQXHKA-NPQOUYBPSA-N 393.533 4.838 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(C)c(C(=O)O)c2)o1 4363133 AATWKLVUXYLCNY-DEDYPNTBSA-N 386.407 4.759 10 40 GJCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1cccc2ccccc12 5234697 BKZZYTBHGDGANI-XLNRJJMWSA-N 399.519 4.632 10 40 GJCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3)N21 222690220 YYKZZKGHDLHOPF-DZFGPLHGSA-N 378.545 4.661 10 40 GJCB Oc1c([C@H](c2ccc(Br)cc2)N2CCCC2)ccc2cccnc12 4871544 VMPFQVVBVXXCJQ-IBGZPJMESA-N 383.289 4.888 10 40 GJCB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(N2CCCC2)cc1 20039082 ADAVYDVXOAHRIW-HSZRJFAPSA-N 388.511 4.914 10 40 GJCB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCc1ccc2c(c1)CCCN2C 57661834 MDYZDHMZGVIOGX-HNNXBMFYSA-N 394.544 4.581 10 40 GJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3cccc(Cl)c3)cc2)C1 222770607 IMYFLPNMOPMCIP-IAGOWNOFSA-N 386.923 4.833 10 40 GJCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/c1c(C)nn(-c2ccc(C)cc2)c1C 408755112 BONQOFCMNBNRDZ-LPYMAVHISA-N 388.446 4.743 10 40 GJCB Cc1cccc(C)c1NC(=S)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 5692036 OYKXQEKFSCAKRG-UHFFFAOYSA-N 384.383 4.544 10 40 GJCB Cc1[nH]c2ccccc2c1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O 113830537 IVOGUHJJNOLZIT-YVLHZVERSA-N 395.465 4.790 10 40 GJCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccccc2)cc1 408761028 GQNSRWJMIPLZTF-OQKWZONESA-N 398.462 4.928 10 40 GJCB N=C1/C(=C/c2cccs2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12 33458132 YBRWLTMNYINFHA-GIOQYDBOSA-N 396.541 4.584 10 40 GJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1c(C)cc(C)cc1[N+](=O)[O-] 100641474 XQCLJZZLGFYHMF-MHWRWJLKSA-N 384.823 4.584 10 40 GJCB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(N3CCCCC3)cc2)c1 225275005 MGWIAJLQFCIRAG-UHFFFAOYSA-N 380.532 4.804 10 40 GJCB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(N(C)C)cc2)sc2c1CCCC2 3434753 LPHJFPIEPORUOQ-SDNWHVSQSA-N 398.528 4.522 10 40 GJCB CN(C)c1ccc([C@H]2OC(=O)c3ccccc3N2C(=O)Nc2ccccc2)cc1 223814017 KUVIFOMVUWOMKX-OAQYLSRUSA-N 387.439 4.660 10 40 GJCB COc1ccccc1C1=N/C(=C/c2ccccc2F)C(=O)N1c1ccc(F)cc1 408840004 AAWLWVJLSYGDRW-XSFVSMFZSA-N 390.389 4.808 10 40 GJCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 409193046 APECFTRUBVMJIQ-VGOFMYFVSA-N 383.325 4.949 10 40 GJCB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(OCC)cc1)CO3 2122812 RHWYCILJTXIBEC-UHFFFAOYSA-N 379.456 4.809 10 40 GJCB biogenic CC(=O)Oc1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)c(OC(C)=O)c1 4993973 UEIOBTMSWHXVOH-IEGUWTFLSA-N 377.440 4.672 10 40 GJCB COc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 218750885 WJOSLVNGFBIHOW-MOPGFXCFSA-N 396.531 4.576 10 40 GJCB CCN(CC)c1ccc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1 224158935 DJVITXLMBDDGRX-UHFFFAOYSA-N 381.303 4.535 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccc(Cl)cc2)cc1 408762447 BFVHVQUBLZYRDX-CPNJWEJPSA-N 378.815 4.776 10 40 GJCB COc1ccc(C2=N/C(=C/c3cccc(OC)c3)C(=O)N2c2ccc(C)cc2)cc1 408762912 LTQRLSIMWIJAQH-XQNSMLJCSA-N 398.462 4.847 10 40 GJCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 408989266 TVCDTAJXBJELAD-UNOMPAQXSA-N 381.859 4.521 10 40 GJCB CN(C)c1ccc(/C=C2/SC(=O)N(CNc3ccccc3Cl)C2=O)cc1 3067955 KRLKPSUIMBEIFR-GZTJUZNOSA-N 387.892 4.512 10 40 GJCB Cc1c(Cl)cccc1NC(=S)N(Cc1ccccc1O)C[C@H]1CCCO1 13071626 SROAXYQODGMHRU-MRXNPFEDSA-N 390.936 4.732 10 40 GJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(Cl)c1 222739635 MWYNKCDRDOIHCQ-WOJBJXKFSA-N 396.947 4.745 10 40 GJCB O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 1194351 PZGSAAGYVLUUNY-ZSOIEALJSA-N 381.400 4.817 10 40 GJCB COc1ccc(OC)c(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c1 4749377 UUMYREWJOVDWMT-FDIDITGRSA-N 385.510 4.666 10 40 GJCB Cc1cc(/C=C(/Sc2nc3ccccc3o2)C(=O)O)ccc1N1CCCC1 7365558 HVBVLKNVAVOOML-CPNJWEJPSA-N 380.469 4.954 10 40 GJCB CCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(C)c(C)c3)C(=O)N=C2S1 13280929 OJZRZKRFMDWCNF-GAGNZYIBSA-N 391.500 4.513 10 40 GJCB O=C(c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21)N1CCCC1 13382215 YVXGPJAHJFSSKT-DBXWQHBBSA-N 389.455 4.657 10 40 GJCB COc1ccc(C2=N/C(=C/c3ccccc3OC)C(=O)N2c2ccc(C)cc2)cc1 409002116 SNGNTTDUOIXQLJ-CJLVFECKSA-N 398.462 4.847 10 40 GJCB CCn1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)c2ccccc21 409197836 PWGXBFUUHSWGDA-WQRHYEAKSA-N 381.526 4.617 10 40 GJCB Cc1cc(/C=C2/SC(=S)NC2=O)c(C)n1-c1cccc(Cl)c1Cl 3252187 KQWWSRSQBFYZRG-NTUHNPAUSA-N 383.325 4.890 10 40 GJCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccco2)cc1 5201069 VTKMGSYJFSCPMA-FJIJXJHWSA-N 396.531 4.634 10 40 GJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(C(C)(C)C)cc3)C2=O)cc1Cl 107681223 LVGMSJCFSWAYHW-BOPFTXTBSA-N 396.874 4.612 10 40 GJCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)cc3)N21 260788334 YYKZZKGHDLHOPF-UIFIKXQLSA-N 378.545 4.661 10 40 GJCB O=C1/C(=C\c2cc(Br)cs2)SC(=S)N1c1ccccc1 408903571 ZWJZHGQBVVESIN-KPKJPENVSA-N 382.329 4.916 10 40 GJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)C1 217930056 JRAKZVQEXSSXMO-PFKFJBCPSA-N 392.499 4.542 10 40 GJCB CCOc1ccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCCC5)C2)cc1 2124906 HCGZHWSSPNOWPX-UHFFFAOYSA-N 391.467 4.735 10 40 GJCB biogenic CC(C)(C)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 12437356 JEWBXANLXUPMIO-LGMDPLHJSA-N 396.537 4.530 10 40 GJCB Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1cccnc1 102907344 JBHKJBUTZBUJDZ-GHTZIAJQSA-N 377.831 4.683 10 40 GJCB C/C(NCc1ccc(F)cc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 112121806 XDMPKWGJGZIAMY-XLNRJJMWSA-N 385.442 4.640 10 40 GJCB CC(=O)Oc1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)c(OC(C)=O)c1 4993975 UEIOBTMSWHXVOH-PMAPCBKXSA-N 377.440 4.672 10 40 GJCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OC(C)C 5979375 NYMSMMKRZGSTPX-ZROIWOOFSA-N 385.938 4.747 10 40 GJCB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(N(CC)CC)cc1 223186488 OSQMVISYOKZSCS-NRFANRHFSA-N 388.939 4.968 10 40 GJCB O=C1/C(=C\c2ccccc2F)N=C(c2ccc(F)cc2)N1c1ccc(O)cc1 408761751 BHNXEDKZZHQBSL-DEDYPNTBSA-N 376.362 4.505 10 40 GJCB Cc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1 6784942 WEUMPMFMYNEGSQ-UHFFFAOYSA-N 385.822 4.926 10 40 GJCB COc1cccc(/C=C2\SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)c1 20987306 PNVCDYPYWOUKSC-DHDCSXOGSA-N 378.375 4.796 10 40 GJCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2cccc3ccccc23)S1 35043694 DCLKGXBCUFDTBF-XDHOZWIPSA-N 388.448 4.929 10 40 GJCB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O 409194272 JDMSMLNGNQQAAD-GYZOOYGHSA-N 386.542 4.820 10 40 GJCB Cc1cc(C(=O)CN2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccc(Cl)c(Cl)c1 19901814 YEEXQKXSAIXISH-KBPBESRZSA-N 395.330 4.693 10 40 GJCB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCCCC2)cc1 30849337 DCOFIQDKSBQFFK-NRFANRHFSA-N 386.923 4.804 10 40 GJCB C[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 218701586 FTRIVJBPWDFEJQ-FGTMMUONSA-N 384.495 4.707 10 40 GJCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(F)cc2)c1C 222784268 AXHGPIUJPOMDBH-RTWAWAEBSA-N 394.519 4.621 10 40 GJCB O=C1NC(=S)S/C1=C\c1cc(/N=N/c2cccc(Cl)c2)ccc1O 408724359 CVJXQDDXSAPYBO-KIVMVORFSA-N 375.862 4.950 10 40 GJCB Cc1cccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2)c1 408753120 HWROZGWZHLULQX-RCCKNPSSSA-N 383.407 4.738 10 40 GJCB COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(C)C1=O 409329242 CQRMJSINXCHWNK-OCKHKDLRSA-N 399.581 4.994 10 40 GJCB CC(C)(C)N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 5551820 IKQRVBAPYOFBRX-XNTDXEJSSA-N 388.470 4.855 10 40 GJCB CCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(O)=NC1=S 6938204 XIWFHRUIAYYQOX-XYOKQWHBSA-N 395.267 4.740 10 40 GJCB CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3ccc(C)cc3)C2=O)cc1 33908968 USMBWWBMEZYPMS-ZHZULCJRSA-N 395.528 4.947 10 40 GJCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(Cc2ccccc2)C1=O 106681825 DNRDZJCZWGCKTO-ZHZULCJRSA-N 378.497 4.832 10 40 GJCB C[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(N2CCCCC2)cc1 219040844 JSURIABGBXXEEY-IBGZPJMESA-N 388.511 4.914 10 40 GJCB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc(SC)cc1 409056537 HGKDJSJDLYWQBN-HKWRFOASSA-N 397.540 4.972 10 40 GJCB CCN1/C(=C/C=C2/SC(=S)N(c3ccccc3)C2=O)Oc2ccccc21 4579211 KHCYVJJRVIYFQI-HUPOLGGESA-N 380.494 4.696 10 40 GJCB O=C1c2ccccc2C(=O)c2c(Nc3ccc(Br)cc3)cccc21 4600899 OBFDIMPLECEVTB-UHFFFAOYSA-N 378.225 4.968 10 40 GJCB CCCCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 4850988 YJLGZMOACHUDRB-VKAVYKQESA-N 391.558 4.710 10 40 GJCB O=C(c1ccccc1)c1ccccc1NC[C@H](O)COc1cccc2ccccc12 5582043 WOMFQWGHVQZVNY-NRFANRHFSA-N 397.474 4.923 10 40 GJCB COc1ccc(/C=C2/SC(Nc3ccccc3Br)=NC2=O)cc1 7275353 OWJGQTAQYRSXJI-XNTDXEJSSA-N 389.274 4.540 10 40 GJCB COc1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)cc1Cl 225416456 BKJRVWDQSKZVOH-UHFFFAOYSA-N 389.952 4.826 10 40 GJCB COc1cc2c(cc1NCC(=O)N1CCc3ccccc3C1)oc1ccccc12 11619234 LRQUOPPSSYQGOJ-UHFFFAOYSA-N 386.451 4.591 10 40 GJCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccccc1Cl 409031364 AFEUJGPLFWLUBI-RMKNXTFCSA-N 386.707 4.842 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(C)cc1 712608 LHXOSUDNXGZHKO-QNGOZBTKSA-N 391.467 4.661 10 40 GJCB Cc1noc(C)c1CC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 10911791 OYLFCMVOGRERFI-DEOSSOPVSA-N 386.451 4.599 10 40 GJCB Cc1[nH]c2ccccc2c1/C=C1/C(=N)N2C(c3ccccc3)=CSC2=NC1=O 13800782 KPQBYIGISFDNPP-BPHBXOPHSA-N 384.464 4.781 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cccc(C)c1 14406646 AZHBPWAZVDYMLK-STZFKDTASA-N 375.468 4.996 10 40 GJCB COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1O 15008410 YIWDBWJVVWPOCG-OQLLNIDSSA-N 391.901 4.768 10 40 GJCB C/C(Nc1ccccc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 17081444 GYZBYIZAUMBUDB-PGMHBOJBSA-N 398.422 4.732 10 40 GJCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1ncc(C(C)(C)C)o1 83836806 ZWHLCMJYUSPVGV-UHFFFAOYSA-N 399.516 4.919 10 40 GJCB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 409015816 BOCRHJKDPLGCTD-YXHQGMJNSA-N 385.441 4.788 10 40 GJCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 660202 YDDSTXXGDBNHRQ-YBEGLDIGSA-N 388.250 4.871 10 40 GJCB CCN(CC)Cc1cc(Nc2cc(C)nc3ccc(N(C)C)cc23)ccc1O 1755462 YASTXPADONSZRQ-UHFFFAOYSA-N 378.520 4.900 10 40 GJCB CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=S 2961074 YDDVAUOCQQAWPG-YBEGLDIGSA-N 375.902 4.750 10 40 GJCB CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C1=O 409012918 RWNFHZVTZSGMHE-ZXOFLVKFSA-N 397.544 4.995 10 40 GJCB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc(Cl)cc1 4670419 GZDHCLWEANJAEB-RGEXLXHISA-N 385.891 4.903 10 40 GJCB O=C1N=C(N2CCCCCC2)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 16791094 JOVWRTLOVOMXLB-QGOAFFKASA-N 397.456 4.701 10 40 GJCB CN(C)/N=N/c1c(Br)cc(Br)cc1Br 18145703 DFPXQTYSXXXLAU-OUKQBFOZSA-N 385.885 4.534 10 40 GJCB Cc1cc(C)c2c(N)c(C(=O)OCc3coc(-c4ccc(F)cc4)n3)sc2n1 26941279 IRBSZTVCXQDCDK-UHFFFAOYSA-N 397.431 4.646 10 40 GJCB CC(C)n1nc(O)c2c(-c3ccsc3)c3oc4c(O)c(O)ccc4c3nc21 95474556 HTGKJXMLQVCOFG-UHFFFAOYSA-N 381.413 4.757 10 40 GJCB Cc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccncc2)c1 102907328 LGNGKURHLYJPQX-UGKGYDQZSA-N 391.858 4.991 10 40 GJCB CCN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC1=S 5715799 BZKHLLKYGVAJPA-RIYZIHGNSA-N 394.861 4.729 10 40 GJCB CC1=Nc2c(cnn2Cc2ccccc2Cl)[C@@H](c2ccc(O)c(O)c2)S1 79474253 RQLWPKMTHGTGJX-GOSISDBHSA-N 385.876 4.882 10 40 GJCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccccc2OCC(C)C)SC1=S 408600162 WCFTZPBQSQQOFM-WOJGMQOQSA-N 386.542 4.677 10 40 GJCB CCCOc1ccccc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O 408604709 WKBDSCPXKAVCJY-XMHGGMMESA-N 398.553 4.947 10 40 GJCB CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S 409338832 BWDRCZAVLMTHAP-YBEGLDIGSA-N 388.470 4.774 10 40 GJCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 5371903 ZJXOPEAMDVWSEO-NVNXTCNLSA-N 389.885 4.752 10 40 GJCB Cc1ccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1C 6390920 CNRCFTHSVKISMA-JOCHJYFZSA-N 397.588 4.747 10 40 GJCB Cc1cc(C)c(N2C(=O)N=C(O)/C(=C/c3cn(C)c4ccccc34)C2=O)c(C)c1 6897395 OZDXJYRUVQBFDB-WQRHYEAKSA-N 387.439 4.610 10 40 GJCB COc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 218750776 WJOSLVNGFBIHOW-OALUTQOASA-N 396.531 4.576 10 40 GJCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C 260769279 LHAMQZZLCZRELJ-NHCUHLMSSA-N 392.572 4.706 10 40 GJCB COc1cc(/C=C2/SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)ccc1O 1452214 ZOKSGBRBJQEDQO-OVCLIPMQSA-N 394.374 4.502 10 40 GJCB Cc1cc(N2CCCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 260786525 XYVUGQRFUALDNR-TYCQWZJGSA-N 378.545 4.580 10 40 GJCB Cc1cccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2c2ccccc2)c1 408760078 REPMQLTWFQNYKF-RCCKNPSSSA-N 382.419 4.528 10 40 GJCB CC[C@@H]1CCCCN1Cc1c(O)ccc2oc(C)c(C(=O)NC3CCCC3)c12 5182639 LUOAUFONAUWTNQ-QGZVFWFLSA-N 384.520 4.884 10 40 GJCB CCOc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(O)cc3)C2=O)cc1 408762887 LQGCTFMWZWFVSY-XQNSMLJCSA-N 398.462 4.934 10 40 GJCB CCCN1C(=O)/C(=C/c2cccc(OCCOc3ccccc3)c2)SC1=S 409344726 IDECRSAAXSJFBP-CYVLTUHYSA-N 399.537 4.756 10 40 GJCB CCN1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)SC1=S 1182904 NWDVMPFEQMNWBW-UNOMPAQXSA-N 399.537 4.804 10 40 GJCB Cc1ccc(-n2c(C)cc(C(=O)COc3ncnc4ccccc34)c2C)cc1C 3288521 MBMBXUJOYBLFHP-UHFFFAOYSA-N 385.467 4.916 10 40 GJCB COc1ccc(/N=N\c2ccc(N)cc2N)cc1/N=N/c1ccc(N)cc1N 4558760 GYSUSQZGUOGDNB-RNDSACKQSA-N 376.424 4.855 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1Cl 13549388 ILAUJXZJRGLLHQ-AQTBWJFISA-N 381.859 4.916 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)N=C2c2ccccc2)cc1 408754881 OXDNXNLMLQKBPI-CJLVFECKSA-N 384.435 4.538 10 40 GJCB CC(C)C1=NN2C(=N)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)N=C2S1 4369845 ZUJJRWDBMZSNLS-AJUKGGFZSA-N 398.875 4.875 10 40 GJCB COc1cc(Nc2c3ccccc3nc3ccccc23)ccc1NS(C)(=O)=O 5009004 NWOJQTCXMQGGFT-UHFFFAOYSA-N 393.468 4.512 10 40 GJCB CN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 5171764 ZIWOVCGOIJRUGE-MHWRWJLKSA-N 375.902 4.750 10 40 GJCB O=C1N=C(NC2CCCCC2)S/C1=C/c1csc(-c2ccc(F)cc2)n1 84421624 SAZSFEQFKUBEJY-MHWRWJLKSA-N 387.505 4.842 10 40 GJCB CCN(CCNC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1 225793518 AWQDJHYWXBJEOV-UHFFFAOYSA-N 381.467 4.827 10 40 GJCB CCN(CC)c1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)c(OC(C)=O)c1 408741015 GLTUXYJTMUOVPS-DEDYPNTBSA-N 391.467 4.748 10 40 GJCB COc1ccc2[nH]cc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c2c1 8990725 ZQUMJUNXLHEIHG-ODLFYWEKSA-N 394.521 4.620 10 40 GJCB FC(F)(F)c1cccc(NC(=S)NCc2ccc(N3CCCC3)cc2)c1 225423340 HJHDIOXEFNWDPM-UHFFFAOYSA-N 379.451 4.792 10 40 GJCB COc1ccc(OC)c(/C=C2/C=C(c3ccc4cc(OC)ccc4c3)OC2=O)c1 408722447 JBEPPPACDSBLPI-ODLFYWEKSA-N 388.419 4.847 10 40 GJCB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccccc1Cl 14414950 NYXMLVZIGJKOAB-CYVLTUHYSA-N 395.886 4.645 10 40 GJCB COc1cccc(-n2c(C)cc(C(=O)Nc3ccccc3-n3ccnc3)c2C)c1 95953871 GAQOXAAUTVDCPB-UHFFFAOYSA-N 386.455 4.541 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cccc(OC)c1 409019125 PFUCEPALHNVPOP-WQRHYEAKSA-N 397.858 4.534 10 40 GJCB O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(OCc2ccccc2)cc1 2072237 XLTPDMNUFDKRFX-HMMYKYKNSA-N 378.497 4.722 10 40 GJCB Cc1cc(Br)ccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C 32809663 JKPQFDUQSRLCMM-UHFFFAOYSA-N 384.277 4.812 10 40 GJCB CCC(CC)c1cc(C(=O)N(CC)Cc2cc(Br)ccc2O)on1 72304694 ZOXKZJGSWGYJIB-UHFFFAOYSA-N 395.297 4.709 10 40 GJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1OC)N2 409164921 PQVBJRUMPFAKBE-VPZZIHKRSA-N 399.874 4.970 10 40 GJCB COc1cc(/C=C2/SC(Nc3ccc(Cl)c(Cl)c3)=NC2=O)ccc1O 8470742 VRTHYWJLSDWAMV-VIZOYTHASA-N 395.267 4.790 10 40 GJCB Cc1cc(/C=C2/SC(=S)N(C)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 98086290 NMKWACZLMDLNKH-VIZOYTHASA-N 380.897 4.718 10 40 GJCB COC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 1461872 AKNZEKOLMKDERA-PJFSTRORSA-N 384.819 4.861 10 40 GJCB COc1ccc(-c2c(C)c3ccc(O)c(CN4CCC[C@@H](C)C4)c3oc2=O)cc1 4340386 BRLFVADWFABQPW-OAHLLOKOSA-N 393.483 4.715 10 40 GJCB biogenic COc1ccc(Nc2c(-c3ccccn3)nc3ccc(Br)cn23)cc1 4733980 NDSCOIMZAFTZOT-UHFFFAOYSA-N 395.260 4.911 10 40 GJCB Cc1cc(O[C@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)cc(C)c1Cl 13612927 OZEIOVZFKCREMK-QGZVFWFLSA-N 386.923 4.641 10 40 GJCB CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1 409205001 MYMJSAPJXOODBH-PWDRBQJJSA-N 386.542 4.820 10 40 GJCB COc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)c(OC)c1 1302955 WBIQWHGZHREHRW-ZDLGFXPLSA-N 385.510 4.726 10 40 GJCB Cc1ccc(C)n1-c1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72216818 MQIUGPDKZMYKPC-OAQYLSRUSA-N 375.472 4.963 10 40 GJCB Cc1cc(C)cc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 218694163 FRGHAPQZPQXCRT-YLJYHZDGSA-N 380.532 4.796 10 40 GJCB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(N2CCCCC2)cc1 225740467 XWQYRQQSLBVUCN-LJQANCHMSA-N 392.543 4.639 10 40 GJCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C/c1c(C)nn(-c2ccc(C)cc2)c1C 408757742 QDILJBPFWRNERC-OEAKJJBVSA-N 384.483 4.912 10 40 GJCB CCCN1C(=O)/C(=C/c2ccc(OCCOc3ccccc3)cc2)SC1=S 409341954 CYKOHDDADHLWJM-CYVLTUHYSA-N 399.537 4.756 10 40 GJCB CCc1ccc(NC2=NC(=O)/C(=C/c3ccc(Br)o3)S2)cc1 6570420 YHSRSBBLRCOQPG-LCYFTJDESA-N 377.263 4.687 10 40 GJCB Cc1cccc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1C 222821163 NHRURVODYMLPDD-YLJYHZDGSA-N 380.532 4.796 10 40 GJCB COc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260467418 UKXSKKANGZSLHG-PQOYOPPMSA-N 378.516 4.822 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 408901254 CPXBTDYZELUEIB-CIAFOILYSA-N 399.450 4.629 10 40 GJCB COC(=O)c1cc2ccccc2c(CN(C)Cc2nc3ccccc3s2)c1O 12787594 DYGOPIKAIYESMM-UHFFFAOYSA-N 392.480 4.574 10 40 GJCB CC1CCN(CN2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)CC1 20157621 UKVHWRWCXUNIMN-AQTBWJFISA-N 388.602 4.875 10 40 GJCB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 217918967 MUEQJKPAKGNPMZ-JEBNODLOSA-N 378.516 4.822 10 40 GJCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3ccccc3Cl)cc2)C1 260453202 GLGDWJFKKBCMTB-DLBZAZTESA-N 386.923 4.833 10 40 GJCB CCOc1ccc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1Cl 260763844 IDVZPPWPMWWPAA-INIZCTEOSA-N 386.923 4.905 10 40 GJCB COc1cccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(C)cc3)C2=O)c1 408757295 YEYGIKTYZXITEG-PXLXIMEGSA-N 386.426 4.977 10 40 GJCB CC(C)Oc1ccc(/C=C2/N=C(c3ccccc3)N(c3nccs3)C2=O)cc1 2206904 XOXXLBILDZVVDT-XMHGGMMESA-N 389.480 4.765 10 40 GJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccccc1Br 16160835 VCBLKRPKPBMTRY-UVTDQMKNSA-N 390.668 4.821 10 40 GJCB O=S(=O)(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(F)cc1F 34257554 GRRCVZVORVCCDH-UHFFFAOYSA-N 386.832 4.543 10 40 GJCB Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@H]2c1ccncc1 102907274 KMGMZDOWWQGNPC-RXVVDRJESA-N 377.831 4.683 10 40 GJCB Cc1cc(N2CCCC2)c(F)cc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222589691 TZLQGSPUUHLXKQ-JHVJFLLYSA-N 396.535 4.719 10 40 GJCB COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 225667967 UGCZVJHCGSFJTH-SJORKVTESA-N 383.561 4.979 10 40 GJCB CCC(CC)C1=NN2C(=N)/C(=C/c3c(C)[nH]c4ccc(C)cc34)C(=O)N=C2S1 5573179 IBRULUQPNTYWLM-OXMFYWCOSA-N 393.516 4.840 10 40 GJCB Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccnc1 5587487 KLRZCVRTXXKDAY-XDHOZWIPSA-N 391.521 4.895 10 40 GJCB O=[N+]([O-])c1ccc(O)c([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1 15016299 QBXJFNBAXULQBL-OXQOHEQNSA-N 393.424 4.604 10 40 GJCB COc1ccc(CC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C 222559955 ZYYDBZVUQUDSJT-LJQANCHMSA-N 380.532 4.660 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccc(C)cc2)cc1 408755077 MJTQSWGVFKLHMN-PXLXIMEGSA-N 386.426 4.977 10 40 GJCB CC(=O)Nc1cccc(OCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1 2636141 LOGXJGFNIRZFKH-UHFFFAOYSA-N 390.483 4.931 10 40 GJCB CCCN1C(=O)/C(=C\C=C2/Sc3ccc(Cl)cc3N2C)SC1=S 4859545 IGPXLFHHZQMKMI-JFCLYLFASA-N 382.963 4.878 10 40 GJCB CC1=Nc2c(cnn2Cc2ccccc2Cl)[C@H](c2ccc(O)c(O)c2)S1 79474248 RQLWPKMTHGTGJX-SFHVURJKSA-N 385.876 4.882 10 40 GJCB CN(C)c1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccccc3)C2=O)cc1 408761612 HEJTUIBQKNPQAA-CJLVFECKSA-N 385.442 4.726 10 40 GJCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(OC)nc3)C2=O)cc1 408986587 QUBOGZGMXPJBGQ-HMMYKYKNSA-N 398.462 4.960 10 40 GJCB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N3CCCCC3)cc2)S1 222607644 SLVQHVWLHPGQKV-DQLDELGASA-N 378.545 4.661 10 40 GJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CC4)c3C)N(C)C2=S)cc1C 409132672 KLVOYSBQVLTOBX-NDENLUEZSA-N 379.529 4.661 10 40 GJCB O=C(CCCN1C(=O)S/C(=C\c2ccccc2)C1=S)Nc1ccccc1 1236309 XRLAVLBRFWBQAT-VKAVYKQESA-N 382.510 4.943 10 40 GJCB O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccc(N2CCCC2)cc1 13674759 BJNUXRYEASBVDC-UXBLZVDNSA-N 375.299 4.923 10 40 GJCB Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)c(C)c1 980803 IVTDXYBOMALTDL-HYARGMPZSA-N 399.494 4.804 10 40 GJCB O=C1NC(=S)S/C1=C/c1ccc(OCc2cccc3ccccc23)cc1 1216276 MKEPCBKAUSRHCQ-XDHOZWIPSA-N 377.490 4.908 10 40 GJCB CCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(OC)c(Cl)c1)C3 2158990 BQJPHTCMIWTBBL-UHFFFAOYSA-N 385.847 4.764 10 40 GJCB biogenic Cc1cccc(C)c1Oc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1 9499257 UHAHXBCGUXXYJL-UHFFFAOYSA-N 387.391 4.595 10 40 GJCB Cc1ccc(N[C@@H](c2ccncc2)c2cc(Cl)c3cccnc3c2O)nc1 45944572 UNWQXLZTGADYJS-IBGZPJMESA-N 376.847 4.894 10 40 GJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1nc2ccc(C)cc2s1 103646782 FDCIUUIVDVDDQU-GDNBJRDFSA-N 382.876 4.977 10 40 GJCB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 226695132 GKXXLJVBDKWXLL-PJIJBLCYSA-N 384.819 4.861 10 40 GJCB CCOC(=O)c1cccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)c1 27644749 FAXDYHYYJZFJIL-OAQYLSRUSA-N 399.450 4.714 10 40 GJCB O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 59459817 UMAOBVCCKATOIP-ZROIWOOFSA-N 376.846 4.654 10 40 GJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccccc1C(=O)OC 112123571 MKLXWZDVUQHZSF-ZHZULCJRSA-N 395.434 4.501 10 40 GJCB CCCCC(=O)N[C@H](c1ccccc1OC)c1cc(Cl)c2cccnc2c1O 4959833 BUMPAWLVAKLTNJ-HXUWFJFHSA-N 398.890 4.998 10 40 GJCB CCc1ccc(/C=C2\SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)cc1 5372254 UAFMCZJNARAGOI-YVLHZVERSA-N 383.494 4.661 10 40 GJCB O=C1/C(=C\c2ccccc2Br)SC(=S)N1c1ccccc1F 6863663 PMJMQWDEMURPEO-NTEUORMPSA-N 394.290 4.994 10 40 GJCB O=C1O[C@@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccc(Oc2cccc3ccccc23)cc1 7929537 UIZVVMRQJYEMSC-GGVHMRLMSA-N 399.446 4.768 10 40 GJCB C[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(N2CCCCC2)cc1 225703151 SINHALCXTALCRX-FQEVSTJZSA-N 392.543 4.603 10 40 GJCB CNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 409378148 MQWIZMAFULLXTN-GPMSIDNRSA-N 383.289 4.635 10 40 GJCB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)C1=O 409021024 WYXQHCZVAAFEES-MBNTZHJCSA-N 398.484 4.627 10 40 GJCB Cc1ccc(C)n1N1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S 409206272 SKPGCCVUYWCJLA-RIYZIHGNSA-N 383.325 4.949 10 40 GJCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 3672345 VUFPJEOXZBXBOC-UHFFFAOYSA-N 396.414 4.549 10 40 GJCB Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccncc1 6721645 IYHBKSIFFHRMLY-RXVVDRJESA-N 377.831 4.683 10 40 GJCB COc1ccc(C2(NCc3ccc(OC)c(Cn4cccn4)c3)CCCC2)cc1 12328300 XYYWNNBGYCXXNU-UHFFFAOYSA-N 391.515 4.508 10 40 GJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3cccc(F)c3)C2=O)cc1 59377683 HBGCLKUGOLHHMF-XDHOZWIPSA-N 399.491 4.778 10 40 GJCB COc1ccccc1C1=N/C(=C/c2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 408840669 CXXOPUVNPISURA-XSFVSMFZSA-N 390.389 4.808 10 40 GJCB COc1cccc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)c1OC 1243547 LJUQTHMYMPQRME-BOPFTXTBSA-N 385.510 4.726 10 40 GJCB CC(=O)Nc1ccc(-n2c(C)cc([C@@H]3NN=C(c4ccccc4)S3)c2C)cc1 6961736 GJVQGGMARHZJLS-JOCHJYFZSA-N 390.512 4.749 10 40 GJCB CCCC(O)(CCC)C(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12 4553230 GUGHLEKVUFXOKN-FMQUCBEESA-N 382.258 4.578 10 40 GJCB O=C1/C(=C/c2cc(Br)ccc2O)SC(=S)N1C1CCCCC1 23410551 MMPASIKIYLGMPB-ZROIWOOFSA-N 398.347 4.689 10 40 GJCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C(=N)N12 103563254 DIEHFUMTBQPLOF-OTHHCBNDSA-N 376.485 4.570 10 40 GJCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C 222772129 LHAMQZZLCZRELJ-SFTDATJTSA-N 392.572 4.706 10 40 GJCB CCN(CC)c1ccc(CNC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 225394914 IZFBIWFKTYVDQR-UHFFFAOYSA-N 393.575 4.839 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1sccc1C 408893787 NDNBWUCEMZRPJK-PDGQHHTCSA-N 381.497 4.941 10 40 GJCB COc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1O 9232310 TWCAHFPPPQDAPM-VIZOYTHASA-N 395.864 4.599 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1OC 16682878 UXUHBERKOMZDIC-ZHZULCJRSA-N 391.467 4.579 10 40 GJCB CC1=CN2C(=N)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)C(=O)N=C2S1 31978805 QEMOGOQRJFTSIM-KTVYXKAUSA-N 381.482 4.906 10 40 GJCB aggregator CCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)N=C2S1 41083370 QMJLXQXSVOCBBG-WSYITQDSSA-N 397.891 4.550 10 40 GJCB O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(F)c1 59457434 PQYKKBQKMHZEOO-AUWJEWJLSA-N 394.836 4.793 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc12 408892873 KMACVNZUTRCESA-STZFKDTASA-N 399.446 4.731 10 40 GJCB O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Cl)cc1 1514688 SOKBEIJTOWLKLI-UHFFFAOYSA-N 385.297 4.918 10 40 GJCB CN1C(=O)/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)SC1=S 208655684 CCKGGVNNFQBHDK-SXGWCWSVSA-N 393.892 4.889 10 40 GJCB CCN(CC)c1ccc(NC2=NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)S2)cc1 6869790 JLKWHQQJCWAXJA-AQTBWJFISA-N 396.472 4.523 10 40 GJCB COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCCC[C@H]3C(F)(F)F)c2C)cc1 27881783 TUHXNOHOGKPZDW-RTBURBONSA-N 394.437 4.954 10 40 GJCB Cc1cc(C(=O)[C@H](C)OC(=O)/C=C/c2cccs2)c(C)n1-c1ccccc1 32876704 OQEXUSWZGFSFFB-FLVLSHQESA-N 379.481 4.983 10 40 GJCB CN(C)c1ccc(CNCc2cc(Cl)ccc2OCc2cccnc2)cc1 40086357 IRGILQJIALICGC-UHFFFAOYSA-N 381.907 4.670 10 40 GJCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 222782767 DBQXHWQQJZLYEU-FGZHOGPDSA-N 390.556 4.790 10 40 GJCB CCN(CC)c1ccc(CNC(=O)CCSc2ccc(Cl)cc2)cc1 225690367 SIWMUJVKSJDIJB-UHFFFAOYSA-N 376.953 4.985 10 40 GJCB Cc1cc(CN(C)C(=O)c2ccc3[nH]c(Cl)nc3c2)c(C)n1-c1ccccc1 225985804 FFPPERDJXVCZMC-UHFFFAOYSA-N 392.890 4.896 10 40 GJCB CSc1ccc(C[C@@H]2SC(=S)N(CCCc3ccccc3)C2=O)cc1 8169624 JBFWVXUJEHSCMH-SFHVURJKSA-N 387.595 4.813 10 40 GJCB Cc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccn2)c1 10215310 IZLAKZSVFLVUOQ-DENIHFKCSA-N 391.858 4.991 10 40 GJCB COc1cc2c(cc1NCC(=O)Nc1ccc(C(C)=O)cc1)oc1ccccc12 11619257 BCCNBJYEPVQVBI-UHFFFAOYSA-N 388.423 4.848 10 40 GJCB O=C(NCc1cccnc1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 42898919 IPJKJTUDHIKXKF-HSZRJFAPSA-N 383.451 4.529 10 40 GJCB O=C1c2ccccc2C(=O)c2c1c(N1CCOCC1)cc1sc3ccccc3c21 66088741 HQODKZNHHPESSX-UHFFFAOYSA-N 399.471 4.667 10 40 GJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1nc2ccc(C)cc2s1 100552381 UHFCPIPEJGQVCA-BOPFTXTBSA-N 376.485 4.940 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cccc(C)c1 408586573 NZJCMSATHYFBCN-BOPFTXTBSA-N 397.858 4.534 10 40 GJCB O=C1N=C(O)/C(=C/c2c[nH]c3ccccc23)C(=O)N1c1cccc2ccccc12 17029224 WXLHNZZHYWXAIN-PDGQHHTCSA-N 381.391 4.828 10 40 GJCB COc1ccc(/C=C/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 225391871 SAPFNOPEIHJWPW-VNVABUEJSA-N 381.522 4.695 10 40 GJCB Cc1ccc2c(-c3ccccc3)nc(NNC(=S)Nc3ccccc3)nc2c1 256028208 YOKOTQANMSZCTF-UHFFFAOYSA-N 385.496 4.919 10 40 GJCB Cc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260577771 LDSCQGDEKDZPBF-YSIASYRMSA-N 380.532 4.876 10 40 GJCB Oc1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccccn1 102907350 KEAVQKQEZPAXGU-WIYYLYMNSA-N 377.831 4.683 10 40 GJCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O 106690120 PHBJIYPBPNOLPO-MOSHPQCFSA-N 396.487 4.971 10 40 GJCB COc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260455497 YFBSMINBLPQVAH-GBESFXJTSA-N 396.531 4.576 10 40 GJCB COc1cccc(/C=C2/N=C(c3ccc(F)cc3)N(c3cccc(C)c3)C2=O)c1 408767591 YSVXGAJILVRBGG-PXLXIMEGSA-N 386.426 4.977 10 40 GJCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cccc2ccccc12 408893300 LYUIMKACTVLBHK-RGEXLXHISA-N 387.410 4.856 10 40 GJCB Brc1ccc(-c2cn3c([n+]2Cc2ccccc2)SCCC3)cc1 5873066 MYTXNQITKPWRLN-UHFFFAOYSA-N 386.338 4.749 10 40 GJCB Cc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2Cc2ccco2)cc1 44086187 GRCRDMPRYSDXDS-UHFFFAOYSA-N 395.528 4.604 10 40 GJCB CCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccccc3)C2=O)cc1 408764412 RVTXPCQXGFADNN-HAVVHWLPSA-N 398.462 4.928 10 40 GJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 409151499 HJNULKZPBGQDPX-HBUWYVDXSA-N 384.819 4.861 10 40 GJCB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(N2CCCC2)cc1 10113664 WJMGLNNHUMFMCM-GOSISDBHSA-N 380.532 4.668 10 40 GJCB C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 16733500 GSOBOJUAHQQZFW-LPXFMOJISA-N 397.496 4.934 10 40 GJCB O=C1N=C(NC2CCCCC2)S/C1=C\c1ccccc1OCc1ccccn1 22504132 MHVRQQCQQCSAMM-ZHZULCJRSA-N 393.512 4.553 10 40 GJCB COc1ccc(/C=C2/SC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC 35039077 QCVDOEMVAXIIKK-WOJGMQOQSA-N 385.510 4.726 10 40 GJCB Cc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccccc2)cc1 59232577 QCICHJZBZUBDKU-DEDYPNTBSA-N 382.419 4.558 10 40 GJCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 409157097 UHCUSHJHMZRCCU-RKVPGOIHSA-N 384.819 4.861 10 40 GJCB CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 4817153 BDHSTNWDSOIJGT-SAPNQHFASA-N 381.479 4.681 10 40 GJCB COc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 219306161 DTVOMIVDTBOSRW-MOPGFXCFSA-N 396.531 4.576 10 40 GJCB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1 408891673 AUKCXHMCPFOQJB-RMENWYJGSA-N 381.859 4.774 10 40 GJCB CN(C)c1ccc(/C=C\c2cccc(/C=C\c3ccc(N(C)C)cc3)[n+]2[O-])cc1 5393084 UEIGXMGVPPDAIP-BKHHGCLFSA-N 385.511 4.793 10 40 GJCB Cn1c(=O)c2c(-c3cccnc3)c(NCc3ccccc3)oc2c2ccccc21 6661334 VNKGIDWLZNVIME-UHFFFAOYSA-N 381.435 4.959 10 40 GJCB CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(C)cc1 4498092 ZYAMGXKXSNYHQK-RUZDIDTESA-N 398.510 4.989 10 40 GJCB COc1cccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)c1OC 5066519 AWJZIDFMWNNILC-BOPFTXTBSA-N 385.510 4.726 10 40 GJCB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(N4CCCCC4)o3)S2)cc1C 5797474 YIGHWSPDBXRREM-QGOAFFKASA-N 381.501 4.969 10 40 GJCB O=C1/C(=C/c2ccc3ccccc3n2)SC(=S)N1CCc1ccccc1 20414053 VXIZCXRKPCXWEO-RGEXLXHISA-N 376.506 4.679 10 40 GJCB O=C(CCn1ncc(=O)c2ccccc21)Nc1ccc(/N=N/c2ccccc2)cc1 32820150 CMGCTKUXNDXLEK-CYYJNZCTSA-N 397.438 4.841 10 40 GJCB Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)c1C 222744034 KSMGMRZRWDTYEW-YADHBBJMSA-N 390.556 4.708 10 40 GJCB Cc1ccc(CN2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)cc1 409052232 GUVPWQYTVDIEJR-SXGWCWSVSA-N 375.902 4.755 10 40 GJCB CCOc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(CC)C3=O)c2C)cc1 409378312 NRLWBLFATHVMLU-PDGQHHTCSA-N 386.542 4.714 10 40 GJCB Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccccc4)C3=O)c2C)c(C)c1 4676574 AXKGHTNFUKKRGD-KGENOOAVSA-N 385.467 4.808 10 40 GJCB CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1O 13805891 PRJHJWBVKPFISB-CYUIRQCWSA-N 385.510 4.753 10 40 GJCB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3)C2=O)cc1 106706892 WEMFUGZCGYZIBJ-ZHZULCJRSA-N 378.497 4.832 10 40 GJCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(C)c3)N21 222676545 GXQQBLYHASZPFY-STZQEDGTSA-N 392.572 4.970 10 40 GJCB C[C@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(N2CCC[C@@H](C)C2)cc1 225668665 BTWSBIAMBGZEBK-CVEARBPZSA-N 397.544 4.699 10 40 GJCB COc1cccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)c1OC 1301816 DQSULMZRUVPAOM-BOPFTXTBSA-N 385.510 4.726 10 40 GJCB CC[C@H](c1ccc(CN(C)C)c(O)c1)[C@H](CC)c1ccc(CN(C)C)c(O)c1 1607579 XAEVFZKBFMVECB-FGZHOGPDSA-N 384.564 4.908 10 40 GJCB CC(C)c1ccccc1OCCOc1cccc(/C=C2\SC(=S)NC2=O)c1 4680180 AWBOYFPYHVOBPE-UYRXBGFRSA-N 399.537 4.757 10 40 GJCB COc1ccc(OC)c([C@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@@H]3C=CC[C@@H]23)c1 4744273 NFQIZAIUORKUBD-VPZZIHKRSA-N 385.847 4.882 10 40 GJCB CCCn1cc(/C=C2\C(=O)N(c3ccccc3F)C(=O)N=C2O)c2ccccc21 33332557 QBQJCOQXULYKGW-VBKFSLOCSA-N 391.402 4.697 10 40 GJCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(F)c2)c1C 222784031 IBNXTAZHFMRHLO-LEWJYISDSA-N 394.519 4.621 10 40 GJCB CC(C)Oc1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)cc1 225418115 LGBRENDWVVTKFQ-UHFFFAOYSA-N 383.561 4.951 10 40 GJCB Cc1oc2ccc(O)c(CN3CCCCCC3)c2c1C(=O)NC1CCCCC1 5182723 WVUITDWABKAKME-UHFFFAOYSA-N 384.520 4.885 10 40 GJCB O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)c1ccc(F)cc1 29071333 FHVUTMJBSXWZTE-LJQANCHMSA-N 396.487 4.843 10 40 GJCB O=C1/C(=C/c2ccc3cccc(Cl)c3n2)SC(=S)N1c1ccc(O)cc1 54360927 SOOQZMVEQQDVSA-YBEGLDIGSA-N 398.896 5.000 10 40 GJCB Cc1cc(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)no1 72111635 SIDMGRZTVYVEFH-UHFFFAOYSA-N 396.447 4.905 10 40 GJCB O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1c1cccc2ccccc12 113830594 LFCZIYFCZGENLV-YBFXNURJSA-N 391.473 4.974 10 40 GJCB CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(Cl)c1O 4689807 RXURPMCNLILKOP-XNTDXEJSSA-N 397.949 4.978 10 40 GJCB Cc1ccccc1N1C(=O)N=C(O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)C1=O 8767583 SYRBIFBMFWRKTD-ATVHPVEESA-N 390.370 4.901 10 40 GJCB CCCCN1C(=O)N=C(O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 9009512 ZEBMDYQCTHUPLB-UYRXBGFRSA-N 379.460 4.505 10 40 GJCB C[C@H]1Oc2ccccc2C=C1/C=C1/SC(=S)N(c2cccc(O)c2)C1=O 13691028 BCJDOPHFHFKIPO-SGEFVQMOSA-N 381.478 4.505 10 40 GJCB O=C1N=C(Nc2ccc3ccccc3c2)S/C1=C/c1cccc([N+](=O)[O-])c1 33921285 YFAGHBDSKBQQJF-WOJGMQOQSA-N 375.409 4.830 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OC(=O)c2ccccc2)cc1 58854611 AKWVXYQCEAVGRK-CJLVFECKSA-N 382.419 4.712 10 40 GJCB O=C(c1nc(Cl)ccc1Cl)N(Cc1ccco1)Cc1ccccc1O 84504640 YMDWPCNUBIFCDY-UHFFFAOYSA-N 377.227 4.530 10 40 GJCB COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 225667998 UGCZVJHCGSFJTH-IAGOWNOFSA-N 383.561 4.979 10 40 GJCB CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 4959454 IKLGKAYKRLAFHQ-QYWGDWMGSA-N 394.427 4.607 10 40 GJCB Cc1oc2ccc(O)c(CN3CCC[C@@H](C)C3)c2c1C(=O)NCc1ccccc1 5182608 ZCZRACPSXMOSGE-MRXNPFEDSA-N 392.499 4.609 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cccc(F)c1 6348295 KQHGKGMGRRWYJT-MOSHPQCFSA-N 379.431 4.826 10 40 GJCB COc1ccc(/C=C2/SC(=S)N(Nc3nc4ccccc4s3)C2=O)cc1 33562651 XIGIBQTXHKWYEB-XNTDXEJSSA-N 399.522 4.533 10 40 GJCB COc1ccc([C@H]2CC(c3cccc4ccccc34)=NN2C(=O)CN=[N+]=[N-])cc1 102828657 GPFQZCANJSZVDP-OAQYLSRUSA-N 385.427 4.836 10 40 GJCB CCCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)SC1=S 113834211 QLFFPHWMOIAZCM-MHWRWJLKSA-N 388.470 4.774 10 40 GJCB COC(=O)c1ccc2c(c1C)N[C@H](c1cccc(OC)c1OC)[C@H]1CC=C[C@@H]21 409166000 BXXKVDWPGCXYKA-XFQAVAEZSA-N 379.456 4.625 10 40 GJCB C/C(NC1CCCCC1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 17077214 CCRDEXAQYVHMSG-PGMHBOJBSA-N 377.463 4.773 10 40 GJCB CCOc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCC)c(OC)c3)S2)cc1 35644867 ZIMMIAMGNRGJDH-CPNJWEJPSA-N 398.484 4.575 10 40 GJCB CC(C)c1ccccc1O[C@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1 38752831 CBPUCGKDNJKPNK-LJQANCHMSA-N 380.532 4.884 10 40 GJCB Cc1cc(C(=O)CN2CCC(C)CC2)c(C)n1-c1ccc(Br)cc1 3243748 KVRWGKQFGKYTCR-UHFFFAOYSA-N 389.337 4.771 10 40 GJCB Cc1ccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1Cl 4541590 RSJJVRQQAUUHFS-UHFFFAOYSA-N 396.874 4.851 10 40 GJCB O=S(=O)(O)c1ccc(N=Nc2ccc(O)c3ncccc23)c2ccccc12 255003959 HQNCDPDGDRMZOI-UHFFFAOYSA-N 379.397 4.756 10 40 GJCB NC1=NC(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)S1 6097459 GMONOIDTAJJISS-CHHVJCJISA-N 379.268 4.501 10 40 GJCB Cc1cc(C(=O)CSc2nnc(C3CC3)o2)c(C)n1-c1ccc2c(c1)CCC2 7289961 WZJNFJPSACVCRD-UHFFFAOYSA-N 393.512 4.818 10 40 GJCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1 13547623 JYSDTPDSFJKWTB-AQTBWJFISA-N 385.510 4.890 10 40 GJCB O=C1N=C(Nc2ccccc2)S/C1=C/c1ccc(OCc2ccncc2)cc1 84553332 OGRUQARZOMCOHH-XSFVSMFZSA-N 387.464 4.743 10 40 GJCB O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1 1107728 REXRXDSGTFAYMO-RIYZIHGNSA-N 376.846 4.654 10 40 GJCB CCN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC1=S 1209466 XKXHDDBOUNMRKJ-UNOMPAQXSA-N 378.522 4.911 10 40 GJCB CCc1ccc(O)c(/N=N/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 4599757 RGKXUIAHOJTNHO-QURGRASLSA-N 387.505 4.935 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(Cl)cc12 103916828 NDWDOZCVTRGIMD-STZFKDTASA-N 392.890 4.650 10 40 GJCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C4CC4)[nH]3)c2C)cc1F 11275507 NAQOQYKZZVKETG-UHFFFAOYSA-N 384.480 4.512 10 40 GJCB Cc1cc2oc(=O)c(Cc3ccccc3)c(C)c2c(O)c1CN1CCC[C@H](C)C1 20290769 ICMSVXKABUIKEH-INIZCTEOSA-N 391.511 4.938 10 40 GJCB Cc1cc(/C=C2\SC(Nc3ccc(F)cc3)=NC2=O)c(C)n1-c1ccncc1 5126860 QTXAWFQOMQSBKM-UNOMPAQXSA-N 392.459 4.711 10 40 GJCB Cc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 408766646 WFHKHXDTTXPJDV-RCCKNPSSSA-N 383.407 4.738 10 40 GJCB C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(c2ccc(O)cc2)C1=O 51330763 UTUIWCBPDQJRKZ-OTWJJXBCSA-N 381.478 4.505 10 40 GJCB O=C1C(CCSc2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1 100004249 PLGXGMUJUXKCDD-UHFFFAOYSA-N 388.492 4.780 10 40 GJCB world COc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260578096 VWPVPWFJFCUBMP-IPMKNSEASA-N 396.531 4.576 10 40 GJCB CCn1c(-c2ccccc2)cnc1SCC(=O)N1CCCc2ccccc21 924742 OWYWAOLEKHVVJP-UHFFFAOYSA-N 377.513 4.642 10 40 GJCB O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(F)cc1 4587876 IWKVLLDLPZBWSW-UHFFFAOYSA-N 389.835 4.511 10 40 GJCB CN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 5525351 MYIYJLKVQXWUIR-MHWRWJLKSA-N 375.902 4.750 10 40 GJCB Cc1cc(C(=O)OCC(=O)c2ccc(Cl)s2)c(C)n1-c1ccc(F)cc1 5691534 MXOHMIOKGORGHU-UHFFFAOYSA-N 391.851 4.988 10 40 GJCB COc1cc(Cl)cc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)c1O 6932677 HRYHDIHPHFYPDI-ZKANADHPSA-N 378.881 4.669 10 40 GJCB Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C 218721779 NXTTTYSGVPJMLW-XLIONFOSSA-N 380.532 4.796 10 40 GJCB COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c(OC)c1 225663492 OALXCEWCIJUQOH-MRXNPFEDSA-N 399.560 4.742 10 40 GJCB COc1ccc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1 5137991 XOJHLMWXKGQLKK-MWQVBJQISA-N 396.516 4.675 10 40 GJCB CC(=O)c1cccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)c1 7423409 KQARLHXBCBYSLC-UHFFFAOYSA-N 399.903 4.674 10 40 GJCB O=C1N=C(Nc2cccc(C(F)(F)F)c2)S/C1=C\c1ccc2c(c1)OCO2 16669653 HEHTWFLAZIOPDD-CHHVJCJISA-N 392.358 4.517 10 40 GJCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(Br)cc1 112122360 SDZCXBXIVIBTNO-BOPFTXTBSA-N 388.240 4.697 10 40 GJCB CN(C)c1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1 409349377 PKCFVDLTUNCMKG-WOJGMQOQSA-N 379.510 4.640 10 40 GJCB Cc1ccc(/N=N/c2ccc(NC(=O)c3ccccc3S(=O)(=O)O)cc2)cc1 5362951 JPKAEFVGMSPZLZ-GHVJWSGMSA-N 395.440 4.909 10 40 GJCB CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1O 13805894 PRJHJWBVKPFISB-FDIDITGRSA-N 385.510 4.753 10 40 GJCB COc1ccc(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)cc1Cl 2120313 CRTMCQMFTHNCTL-UHFFFAOYSA-N 393.826 4.965 10 40 GJCB biogenic Cc1ccc(NC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)c(Cl)c1 3451044 MLFGEVKGEZTNTG-UHFFFAOYSA-N 377.827 4.966 10 40 GJCB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 5374286 AUIOBBVVLDGCNX-ANFLSINESA-N 395.933 4.510 10 40 GJCB C[C@@H]1C[C@@H]1c1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)o1 11915286 VKPKSQGVWPHTQO-MFEWGUEZSA-N 399.493 4.533 10 40 GJCB COc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)c(OC)c1 27229906 LYTLKHCLRHTFJN-NVMNQCDNSA-N 396.493 4.591 10 40 GJCB O=C(NC1CCN(Cc2cc(Cl)cc(C3CCCCC3)c2O)CC1)C1CC1 58129845 BPQMHMNZLNFUMN-UHFFFAOYSA-N 390.955 4.584 10 40 GJCB CC(C)(C)[C@]12C(=O)C(=O)[C@]3(C(C)(C)C)[C@@H]([C@H]1C2(Cl)Cl)C3(Cl)Cl 100709601 ANVKBIDRBUAYNI-ZIIBWEGUSA-N 386.146 4.811 10 40 GJCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3)N21 222690278 YYKZZKGHDLHOPF-DUXKGJEZSA-N 378.545 4.661 10 40 GJCB O=C1N=C(N2CCCCC2)S/C1=C\c1ccccc1OCc1ccccc1 2297790 DEIMBYQAYGJLMM-HKWRFOASSA-N 378.497 4.722 10 40 GJCB COc1cccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c1OC 4749380 TYYGRMCADNQSMN-IGWPVBGESA-N 385.510 4.666 10 40 GJCB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCCCC3)cc2F)S1 222595118 RPDFQMPIONQKCM-JHVJFLLYSA-N 396.535 4.800 10 40 GJCB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCCC2)cc1 224066005 PKZPVGVVLWXMIA-DEOSSOPVSA-N 392.543 4.639 10 40 GJCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)C1 260466184 HFBLIWWXYSBMPM-XQMGMDATSA-N 393.487 4.722 10 40 GJCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(C)cc3)C2=O)cc1 2248560 XUAMXSCSRXPMQU-QGOAFFKASA-N 396.537 4.533 10 40 GJCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(Cl)cc1 2272983 DFKLDOUCNHGNIF-ZROIWOOFSA-N 376.846 4.654 10 40 GJCB CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC)c3)SC2=S)cc1 60512502 NDYHVTWMXIRAKB-AQTBWJFISA-N 385.510 4.890 10 40 GJCB Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccc(F)c(F)c1 7423427 PJTGSBSIAHNDHR-UHFFFAOYSA-N 393.846 4.750 10 40 GJCB O=C1NC(=S)S/C1=C\c1cn(Cc2ccccc2Cl)c2ccccc12 13802243 UBTMRWUYUZADRO-MFOYZWKCSA-N 384.913 4.832 10 40 GJCB C[C@@H]1Cc2cc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)ccc2O1 16810379 WHJXWLVCNUSNND-ITTZRFAVSA-N 381.522 4.972 10 40 GJCB COc1ccc(/C=C2\SC(=S)N(CNc3ccc(Cl)cc3)C2=O)cc1 33908997 DWWRMJYLOORMMN-YBEGLDIGSA-N 390.917 4.619 10 40 GJCB CCOc1cccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1 225691449 HBTICGKXIGJBQT-QGZVFWFLSA-N 383.561 4.808 10 40 GJCB COc1cccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(C)cc3)C2=O)c1 408842685 PNVPNWJGHYPUGU-CJLVFECKSA-N 398.462 4.847 10 40 GJCB CCC(=O)c1c(C)nc2c(c1-c1ccc(OC)c(OC)c1)C(=O)c1ccccc1-2 2211246 NKOGXFJXSNPUDU-UHFFFAOYSA-N 387.435 4.878 10 40 GJCB CC(=O)N(/C=C1\SC(=S)N([C@H](C)c2ccccc2)C1=O)c1ccccc1C 4545606 BBJGIHCQLXCFEC-JPVKTXQWSA-N 396.537 4.811 10 40 GJCB CO[C@H](C(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1O)c1ccccc1 9260529 KFMAHVOPBGDRGX-RXVVDRJESA-N 392.480 4.519 10 40 GJCB COc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC 13534706 MEOJLAGMNXLGAS-SXGWCWSVSA-N 391.901 4.763 10 40 GJCB COc1ccc(-c2c(C)oc3c(CN4CCCC[C@H]4C)c(O)ccc3c2=O)cc1 20410396 KDXRFPMCEZEUCO-OAHLLOKOSA-N 393.483 4.857 10 40 GJCB biogenic Fc1ccc(-c2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)o2)cc1 24007537 MWNXZDHMCFJGAC-UHFFFAOYSA-N 380.488 4.579 10 40 GJCB CC(=O)c1cccc(NC(=O)Nc2nc3ccccc3n2Cc2ccccc2)c1 27923134 VDYPCSGPQSWFIH-UHFFFAOYSA-N 384.439 4.931 10 40 GJCB CC[C@H](c1ccc(OC)cc1)[C@H](CC)c1ccc(O)c(CN2CCOCC2)c1 31923572 CJCLOJYYXSFFKS-DHIUTWEWSA-N 383.532 4.920 10 40 GJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1cc([N+](=O)[O-])ccc1Cl 101083885 HSILCZRXMJKCBK-NTEUORMPSA-N 391.214 4.620 10 40 GJCB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(N3CCCC3)c(Cl)c2)S1 260778165 RFUMPHHEJSWRQP-JSNMRZPZSA-N 398.963 4.925 10 40 GJCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(SC)cc1 631843 SJCIQKCESVTKSJ-WQRHYEAKSA-N 399.899 4.939 10 40 GJCB Cc1ccc(COc2ccc([N+](=O)[O-])cc2/C=C2\SC(=O)NC2=S)cc1 16805074 GNAQIMZLQDJUOW-SXGWCWSVSA-N 386.454 4.607 10 40 GJCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 58883536 QWZDQBBBEBQBEG-HKWRFOASSA-N 381.516 4.989 10 40 GJCB CC(=C/c1sc2ccc(O)cc2[n+]1C)/C=C1/Sc2ccc(O)cc2N1C 685944444 MLMCTBTTWIDHCD-UHFFFAOYSA-O 383.518 4.624 10 40 GJCB Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccccc1F 7423324 DDEXSCZLJBOPJK-UHFFFAOYSA-N 375.856 4.610 10 40 GJCB COc1ccc(N[C@H](C)C(=O)c2cc(C)n(-c3ccccc3)c2C)c(OC)c1 33045909 SKQXOLPOYYABIN-MRXNPFEDSA-N 378.472 4.795 10 40 GJCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OC1CCCC1 1016026 HPPBVYNISXDUTF-ATVHPVEESA-N 377.531 4.628 10 40 GJCB O=C(CC[C@@H]1CCCO1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 48678323 YQAGEZAMFZVSAE-CYFREDJKSA-N 375.468 4.710 10 40 GJCB Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccncc1 102907340 IYHBKSIFFHRMLY-GHTZIAJQSA-N 377.831 4.683 10 40 GJCB Cc1ccsc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O 408999727 SEHZYKDBSSHUMD-UHFFFAOYSA-N 388.448 4.640 10 40 GJCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OC 4550576 OKOBYKRLYUCKRP-PGMHBOJBSA-N 398.462 4.928 10 40 GJCB CCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OC)SC2=S)cc1 5371338 SPLFPFJJTDIOCH-ATVHPVEESA-N 385.510 4.672 10 40 GJCB CCc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)cc1 35039064 SCRDGWQLJRFBBZ-LDADJPATSA-N 385.510 4.672 10 40 GJCB COC(=O)c1ccccc1OCC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C 3305350 XETKFOWDPAHVDA-UHFFFAOYSA-N 397.858 4.796 10 40 GJCB Cc1cccc(C)c1NC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C 4835398 KFRLQGHFAKKQJD-UHFFFAOYSA-N 376.456 4.506 10 40 GJCB Cc1cccc(N2CCN(C(=S)c3ccc(-c4ccc(F)cc4)o3)CC2)c1 8843404 LQFVRBQLZPATOM-UHFFFAOYSA-N 380.488 4.892 10 40 GJCB Cc1nc(NC2CCCCC2)sc1C(=O)NCc1ccc(N2CCCC2)cc1 71326719 ALQURKIEDUQKTE-UHFFFAOYSA-N 398.576 4.726 10 40 GJCB CC1CCN(c2ccc([C@@H](C)NC(=O)COc3cccc(Cl)c3)cc2)CC1 222770468 PXTMYMMFSZRTKS-QGZVFWFLSA-N 386.923 4.833 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OC)cc1 408769561 NYZTTYVIDVLGRL-UYRXBGFRSA-N 397.858 4.616 10 40 GJCB CCOc1ccc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(C)=C2C(=O)OC)cc1 409022314 MXMVIWXRJKOFEW-STZFKDTASA-N 391.467 4.579 10 40 GJCB CCOc1ccc(Nc2ccc3c4c(cc(=O)n3C)-c3ccccc3C(=O)c24)cc1 5521766 VYAVHWORZFITJL-UHFFFAOYSA-N 396.446 4.892 10 40 GJCB Cc1ccc2oc(=O)c(C3=CC=CCC3=S)c(-c3cc(O)cc(O)c3)c2c1 71404983 CIVSJXONVVWWAB-UHFFFAOYSA-N 376.433 4.893 10 40 GJCB COc1ccc2nc(N/C=C3\C(=O)N(c4cccc(Cl)c4)N=C3C)sc2c1 100552413 LQZQUIATXJTHJT-GDNBJRDFSA-N 398.875 4.677 10 40 GJCB O=C1/C(=C\c2ccccc2)SC(=S)N1c1ccccc1Br 1227335 UAZJWUXGEMKWPG-GXDHUFHOSA-N 376.300 4.855 10 40 GJCB COc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 225316865 IAVYLHBHEIKZKR-IBGZPJMESA-N 380.532 4.742 10 40 GJCB COc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225654263 BHGLPACNSLOOAY-QGZVFWFLSA-N 383.561 4.979 10 40 GJCB Cc1ccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2c2ccccc2)cc1 408766521 VEDILIQHQYDNLG-RCCKNPSSSA-N 382.419 4.528 10 40 GJCB CCCOc1ccc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc1OC 35045185 XMXVODHOJXSYEE-UYRXBGFRSA-N 382.485 4.875 10 40 GJCB COc1ccc([C@H]2N=C(c3ccc(F)cc3)C[C@@H](c3ccccc3O)N2)cc1 80325037 ZEDFSBQGAYMBFW-GMAHTHKFSA-N 376.431 4.762 10 40 GJCB C[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 217831608 TYGJUSUVILYXLX-SJORKVTESA-N 386.923 4.833 10 40 GJCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 222988192 IRPJSSMYAINECO-FGZHOGPDSA-N 390.556 4.953 10 40 GJCB O=C(CCc1c(Cl)cccc1Cl)NCc1ccc(N2CCCC2)cc1 225353901 XXSLBHINMZFNQG-UHFFFAOYSA-N 377.315 4.843 10 40 GJCB CCc1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260578960 XXICSNDSFIKICD-RBUKOAKNSA-N 380.532 4.742 10 40 GJCB COc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(OC)c1C 409053643 NUJQQAKEXUSEMQ-WQRHYEAKSA-N 399.537 4.722 10 40 GJCB Cc1ccc(N2NC(=O)/C(=C\c3c4ccccc4cc4ccccc34)C2=O)cc1 973683 RYWOTDRXBYJISH-HZHRSRAPSA-N 378.431 4.763 10 40 GJCB CSc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 10963419 YQUWHUPZPQJEEA-UHFFFAOYSA-N 399.516 4.579 10 40 GJCB COc1cccc(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)c1 11619188 JUMPFJLCMLIXCF-UHFFFAOYSA-N 376.412 4.654 10 40 GJCB Cc1cc2oc(=O)c(C)c(C)c2c(O)c1C1=NN[C@@H](c2ccccc2Cl)C1 12408729 URDNJPOXCAMFGY-OAHLLOKOSA-N 382.847 4.516 10 40 GJCB CC(C)Oc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)cc1 28287563 GFMOTGFNRPFNHU-UHFFFAOYSA-N 389.499 4.782 10 40 GJCB CCN(CC)c1ccc(N/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)cc1 5247173 OCFLRNOQNZIGOU-XSFVSMFZSA-N 382.895 4.905 10 40 GJCB Cc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)c1 6721693 LGNGKURHLYJPQX-SIKLNZKXSA-N 391.858 4.991 10 40 GJCB O=C1/C(=C\c2cnc3ccccc3n2)SC(=S)N1c1cccc(Cl)c1 13730853 WIRIAYPRJGVUCY-CXUHLZMHSA-N 383.885 4.689 10 40 GJCB CCN(CC)c1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 16678470 KLHTVTDQTMTROY-RGEXLXHISA-N 382.554 4.934 10 40 GJCB CC(C)c1noc(CSc2ncc(-c3ccccc3)n2CC(F)(F)F)n1 51971105 QDZVAZILZHGMGJ-UHFFFAOYSA-N 382.411 4.911 10 40 GJCB O=C1NC(=S)S/C1=C\c1ccc(OCc2ccccc2F)c(Cl)c1 408531718 QETOYTZHOLHQKI-NVNXTCNLSA-N 379.865 4.547 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1c(F)cccc1Cl 408767967 HLSVSQCIXGMONO-LFIBNONCSA-N 385.822 4.665 10 40 GJCB Cc1c(Cl)cccc1N1C(=O)c2ccc(Oc3ccc(N)cc3)cc2C1=O 2944681 IAXWPNOOAHBSOE-UHFFFAOYSA-N 378.815 4.824 10 40 GJCB CCOc1ccc(/C=C2\SC(Nc3ccc(CC)cc3)=NC2=O)cc1OC 5372645 SBWVYAZBPGLESO-UYRXBGFRSA-N 382.485 4.739 10 40 GJCB O=C1/C(=C/c2ccccc2Br)SC(=S)N1Cc1ccccc1 9188436 WELVWALGKAQYSP-GDNBJRDFSA-N 390.327 4.851 10 40 GJCB Cc1ccccc1N1C(=O)C(=Cc2ccccc2)C(=O)N(c2ccccc2C)C1=O 59502696 RLYHJVSRIUVMGF-UHFFFAOYSA-N 396.446 4.887 10 40 GJCB CCn1cc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=S)N=C2O)c2ccccc21 1270101 RDALPBQHLOEHKY-LDADJPATSA-N 389.480 4.641 10 40 GJCB COc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3ccccc3O)C[C@H]21 10215855 CRLFOUQLXKEVAO-UTKZUKDTSA-N 378.453 4.705 10 40 GJCB COc1cc([C@@H]2SC(C)=Nc3c2c(C)nn3Cc2ccccc2)cc(O)c1O 72405387 PLWYKNVLMODMTA-FQEVSTJZSA-N 395.484 4.546 10 40 GJCB COc1ccc(/N=N/c2ccc(N)cc2N)cc1/N=N/c1ccc(N)cc1N 102311993 GYSUSQZGUOGDNB-JQRDNDPDSA-N 376.424 4.855 10 40 GJCB Cc1nc(NC(=S)NCc2ccc(N3CCCC3)cc2)c(Cl)cc1Cl 223949804 CQGQWNFPJDECRP-UHFFFAOYSA-N 395.359 4.784 10 40 GJCB CCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1 60510601 XWOUDJZYEJSANA-AQTBWJFISA-N 385.510 4.890 10 40 GJCB CCOC(=O)/C=C(\C)N1N=C(c2ccc(CC)cc2)C[C@H]1c1ccccc1O 80325221 YCTYWGPJUZDRST-OZIPEELISA-N 378.472 4.573 10 40 GJCB CCOc1ccccc1/C=C1\C(=O)N([C@H](C)c2ccccc2)C(C)=C1C(=O)OC 408895920 WKLBKIKCCNZVPV-RUAUKMDKSA-N 391.467 4.519 10 40 GJCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)C(=N)N12 3868548 YZXULXXXHVRLKB-ONBPWHQPSA-N 390.512 4.878 10 40 GJCB CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O 5947719 DUWHAXJYMOBAFZ-DEDYPNTBSA-N 387.439 4.569 10 40 GJCB COc1ccc(CC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C 222559911 ZYYDBZVUQUDSJT-IBGZPJMESA-N 380.532 4.660 10 40 GJCB O=C(COC(=O)c1ccc(O)cc1)Nc1ccc(/N=N/c2ccccc2)cc1 5061209 LXCIBQCKMAABDJ-WCWDXBQESA-N 375.384 4.603 10 40 GJCB COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCCCC4)c23)cc1 5182497 WRVLPPZDEYVJBJ-UHFFFAOYSA-N 394.471 4.694 10 40 GJCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Cl)cc1 59959133 VSJOEGJTSHVCDV-YVLHZVERSA-N 388.250 4.871 10 40 GJCB COc1ccc(N(C)CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 224982219 SCCXWGRMMNHXPB-UHFFFAOYSA-N 388.511 4.547 10 40 GJCB O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1C(=O)c1ccc(Cl)cc1 408719550 NTOQRWFKMGWREX-LHQXNBGVSA-N 385.897 4.938 10 40 GJCB O=C(Oc1ccccc1)c1cc2c3c(c1O)[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21 4045281 PPHLXSUAQQATPK-NEPXVJNWSA-N 385.463 4.764 10 40 GJCB Cc1cccc(N[C@H](c2ccncc2)c2cc(Cl)c3cccnc3c2O)n1 45944580 BAULLPMRXGTTBP-LJQANCHMSA-N 376.847 4.894 10 40 GJCB COc1ccc(/C=C2/SC(=O)N(CCC(=O)Nc3ccccc3)C2=S)cc1 1236290 LDAOMRZRKRZHFC-GHRIWEEISA-N 398.509 4.561 10 40 GJCB CC1=NN(c2ccccc2Cl)C(=O)/C1=C\c1cccc(Br)c1 13914498 FVNDFABHXNZDGS-UVTDQMKNSA-N 375.653 4.909 10 40 GJCB CC(=O)c1cccc(N2C(=O)/C(=C\c3cn(C)c4ccccc34)SC2=S)c1 35040096 ULNJTBLDLJXDIH-YBFXNURJSA-N 392.505 4.787 10 40 GJCB Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1[N+](=O)[O-] 217942179 NWGHTYIDUTXHAG-QGZVFWFLSA-N 381.476 4.631 10 40 GJCB COc1ccc(C2=C/C(=C/c3c(Cl)cccc3Cl)C(=O)O2)cc1OC 728617 UTKJCXRQNYLWJM-WQLSENKSSA-N 377.223 4.992 10 40 GJCB COc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3ccccc3O)C[C@@H]21 227486550 CRLFOUQLXKEVAO-LAUBAEHRSA-N 378.453 4.705 10 40 GJCB COc1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)c2ccccc12 409193989 JRYSMJLIJSRZMT-XDHOZWIPSA-N 394.521 4.804 10 40 GJCB CCCCCOc1ccc([C@@H]2CC(c3ccc(O)cc3)=NN2C(C)=O)cc1OC 4539053 CKAXAYUXNQBENW-NRFANRHFSA-N 396.487 4.667 10 40 GJCB CSc1ccc(/C=C2/C(=N)N3C(c4ccc(F)cc4)=CSC3=NC2=O)cc1 4656116 GBNNQLJFWQHTFH-OXMFYWCOSA-N 395.484 4.852 10 40 GJCB CCN(CC)c1ccc(CN(C)C(=O)c2csc(-c3ccsc3)n2)cc1 31497069 MUNKUUOABPHYJL-UHFFFAOYSA-N 385.558 4.990 10 40 GJCB CCN(CC)c1ccc(/C=C(\CC(=O)O)c2nnc(-c3ccc(C)cc3)o2)cc1 58157853 OMAOIPHQSURZTF-XMHGGMMESA-N 391.471 4.907 10 40 GJCB Cc1ccc(Nc2cc(N(C)CCO)c3noc4c3c2C(=O)c2ccccc2-4)cc1 78549666 XSLJYMPVEVUQKH-UHFFFAOYSA-N 399.450 4.520 10 40 GJCB CCCCOc1ccc(/C=C2/SC(=S)N(CCC)C2=O)cc1OCC 97995884 LYAAFRLTQHSADE-GHRIWEEISA-N 379.547 4.875 10 40 GJCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1nc2ccc(Cl)cc2s1 100552370 WZTLFVXUZWWMKF-GDNBJRDFSA-N 382.876 4.977 10 40 GJCB CCN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1cc([N+](=O)[O-])ccc1O 5197746 VXZAZQDSIRDWLB-JOCHJYFZSA-N 386.411 4.704 10 40 GJCB Cc1cc(C)cc(CSCC(=O)NCc2ccc(N3CCCCC3)cc2)c1 13646131 QRUSSZOCXCPBDX-UHFFFAOYSA-N 382.573 4.843 10 40 GJCB Cc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccn2)c1 102907335 IZLAKZSVFLVUOQ-UGKGYDQZSA-N 391.858 4.991 10 40 GJCB CC1CCN(c2ccc([C@H](C)NC(=O)CCCOc3ccccc3)cc2)CC1 218726568 IASHJVBLCQZHBE-FQEVSTJZSA-N 380.532 4.959 10 40 GJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3ccccc3Cl)cc2)C1 218850074 GLGDWJFKKBCMTB-IAGOWNOFSA-N 386.923 4.833 10 40 GJCB Cc1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C 218721841 NXTTTYSGVPJMLW-YLJYHZDGSA-N 380.532 4.796 10 40 GJCB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 223262949 JZQUXUKTZSWSEJ-UHFFFAOYSA-N 388.514 4.743 10 40 GJCB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260466301 MUEQJKPAKGNPMZ-RWFIREACSA-N 378.516 4.822 10 40 GJCB COc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1OC(C)C 4477136 WOJRNCFIPHPVMA-WQRHYEAKSA-N 384.863 4.942 10 40 GJCB COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1Cl 6804345 JFPHITMSFIFPPS-UHFFFAOYSA-N 398.890 4.850 10 40 GJCB COc1ccccc1Oc1coc2c(CN3CCC(C)CC3)c(O)ccc2c1=O 20436507 ILBAWMXVRVJGGY-UHFFFAOYSA-N 395.455 4.531 10 40 GJCB biogenic O=[N+]([O-])c1ccc([C@@H]2Nc3c(O)cc(Cl)c([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc1 35146735 WZGYQFWANGEGHU-OZVIIMIRSA-N 387.779 4.689 10 40 GJCB O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)Nc1ccccc1 56965585 LVGVULFPCNRCDV-UHFFFAOYSA-N 389.480 4.922 10 40 GJCB COc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260578092 VWPVPWFJFCUBMP-GBESFXJTSA-N 396.531 4.576 10 40 GJCB COc1ccc(/C=C2/SC(=S)N(CNc3cccc(Cl)c3)C2=O)cc1 3044324 KWUMCKYFPWUVDC-CXUHLZMHSA-N 390.917 4.619 10 40 GJCB Brc1ccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 3642521 NMHLVYLRZKZKNB-UHFFFAOYSA-N 396.244 4.869 10 40 GJCB COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)c1 13689651 OJGYVOLJPQFVCH-YBEGLDIGSA-N 391.901 4.763 10 40 GJCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1ccccc1C 26713047 LUYKIBGZBVLGES-UNOMPAQXSA-N 399.537 4.804 10 40 GJCB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 409015815 BOCRHJKDPLGCTD-VAKHEIKFSA-N 385.441 4.788 10 40 GJCB COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)c1O 1007312 RYPCGUFJRBGVJA-IERDGZPVSA-N 378.453 4.705 10 40 GJCB O=C1/C(=C\c2c(Cl)cccc2Cl)C(O)=NC(=S)N1c1ccc(F)cc1 2283508 FITOOGLFTJMLHO-WQLSENKSSA-N 395.242 4.804 10 40 GJCB CCCOC(=O)CCCN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 5370975 HHIOZKCHZQVIEQ-FBWUVJDOSA-N 389.542 4.568 10 40 GJCB CC1CCN(Cc2c(O)c(C(=O)NCc3ccccc3)cc3ccccc23)CC1 6053119 GAIVGOMFZMDIOQ-UHFFFAOYSA-N 388.511 4.707 10 40 GJCB CCN1C(=O)/C(=C/c2ccc(-c3cccc(Br)c3)o2)SC1=S 6144878 ZMYPIOZMWLMGKY-ZROIWOOFSA-N 394.315 4.930 10 40 GJCB Cc1ccnc(N[C@H](c2ccncc2)c2cc(Cl)c3cccnc3c2O)c1 45944569 OKFNGUUHEGVVEI-LJQANCHMSA-N 376.847 4.894 10 40 GJCB CCOC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(Cl)cc1 100249945 JZZMLZGTKNQNQI-WJDWOHSUSA-N 376.243 4.686 10 40 GJCB Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] 218131661 UUMBKCJQKLUJIZ-WBVHZDCISA-N 381.476 4.631 10 40 GJCB Cc1cccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)c1C 409250062 MFPSIQSUVALVFW-HYARGMPZSA-N 399.494 4.804 10 40 GJCB Cc1csc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)n1 3428774 GXVDECLTFRRHCK-UHFFFAOYSA-N 386.498 4.563 10 40 GJCB O=C1/C(=C/c2ccccn2)SC(=S)N1CCSc1ccc(Cl)cc1 96930752 CXRLMEORVIHZQJ-PTNGSMBKSA-N 392.958 4.729 10 40 GJCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 222782708 DBQXHWQQJZLYEU-FCHUYYIVSA-N 390.556 4.790 10 40 GJCB O=C1/C(=C2/C(O)=Nc3ccc(F)cc32)SC(=S)N1c1ccc(Cl)cc1 6926378 KYJMJSYQRXBPBS-YPKPFQOOSA-N 390.848 4.857 10 40 GJCB O=C1N=C(N2CCCCC2)S/C1=C\c1cccc(OCc2ccccc2)c1 9188849 DNOHDCVVMCPJFY-HKWRFOASSA-N 378.497 4.722 10 40 GJCB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 218687447 ISBKFVHLBGJRJX-HSALFYBXSA-N 380.532 4.876 10 40 GJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C 222871516 HTRUQBBZEUGSBY-FCHUYYIVSA-N 390.556 4.872 10 40 GJCB COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1OC 225663594 FVXLVZFWKMUVGU-INIZCTEOSA-N 399.560 4.742 10 40 GJCB Cc1ccc(NC2=NC(=O)/C(=C/c3cc4c(cc3C)OCO4)S2)cc1Cl 660218 ZDTDXNSCIAVFND-IDUWFGFVSA-N 386.860 4.768 10 40 GJCB COC(=O)c1cccc(-n2c(C)cc([C@H]3NN=C(c4ccccc4)S3)c2C)c1 6961983 VVQBDQRMHKTYOZ-NRFANRHFSA-N 391.496 4.578 10 40 GJCB Cc1cc([C@@H]2CCCN2C(=O)/C=C/c2cc(C)n(-c3ccccc3)c2C)no1 29243951 PASIFYFMSCBOFG-LEQVUBRHSA-N 375.472 4.767 10 40 GJCB COc1ccc2[nH]cc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c2c1 97513732 HDUPBIHCPCDDQT-GIJQJNRQSA-N 380.494 4.578 10 40 GJCB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)o2)c(C)n1-c1ccccc1 4843806 UQVSDNUJWOFYGG-UHFFFAOYSA-N 390.468 4.514 10 40 GJCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S 5552008 PTKDAJJFIOCIMX-BQGMYUGNSA-N 385.510 4.684 10 40 GJCB CCCOc1ccccc1/C=C1/SC(=S)N(c2ccccc2OC)C1=O 408600312 BKGVPVJEVBZLNO-QGOAFFKASA-N 385.510 4.890 10 40 GJCB CCOc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(O)cc3)C2=O)cc1 408757795 CDCKFYLTVFDRHR-CJLVFECKSA-N 384.435 4.625 10 40 GJCB COc1ccccc1C1=N/C(=C/c2ccc(C)cc2)C(=O)N1c1ccc(O)cc1 408840556 CHPJMOJTTGAGSQ-RCCKNPSSSA-N 384.435 4.544 10 40 GJCB CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc([N+](=O)[O-])cc2)cc1 3953810 LCHYXWHFOJGIHN-UHFFFAOYSA-N 375.472 4.907 10 40 GJCB in-vitro O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CN2CCCCC2)cc1 10113239 YRDQBJKPEXSQBT-UHFFFAOYSA-N 391.559 4.593 10 40 GJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1cccc(Br)c1 100535628 ZDIMZLSNZBEEDZ-MHWRWJLKSA-N 390.668 4.821 10 40 GJCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1C(F)(F)F 408995649 CYDXFFWHQFCNGL-VBKFSLOCSA-N 387.357 4.583 10 40 GJCB C[C@@H](NCc1cc(O)c(CN[C@H](C)c2ccccc2)cc1O)c1ccccc1 1680969 LWEZAHAWRCMFBJ-QZTJIDSGSA-N 376.500 4.799 10 40 GJCB Cc1ccc(S(=O)(=O)NNc2c3ccccc3nc3ccc(Cl)cc23)cc1 5011614 IEJBKSKKHKWEOT-UHFFFAOYSA-N 397.887 4.655 10 40 GJCB Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccc(F)cc1F 7423392 JKQPDRSMHDNCHD-UHFFFAOYSA-N 393.846 4.750 10 40 GJCB CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 13476563 SUMWCWFHOHZHHW-ZSOIEALJSA-N 376.199 4.708 10 40 GJCB CC(C)Oc1ccc(NC(=S)NCCCN2CCCc3ccccc32)cc1 225746634 JSHMBWWWWHNMOW-UHFFFAOYSA-N 383.561 4.603 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccccc1F 409022380 MHLKONHKNLJMKB-YBEGLDIGSA-N 385.822 4.665 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(CN2CCCC2)c2ccccc12 101017997 MFPMEKVUMGEIMP-PXLXIMEGSA-N 384.483 4.501 10 40 GJCB CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1 13343121 HVWOPZUDFYNAFC-SSZFMOIBSA-N 391.558 4.830 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(Cl)c1 59435702 HBPNHZBRWQJKAK-BOPFTXTBSA-N 388.250 4.871 10 40 GJCB COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3cccc(C)c3)C2=O)cc1 408847206 ZZZAUHXVNSTYHN-CJLVFECKSA-N 398.462 4.847 10 40 GJCB CC(/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O)=C\c1ccccc1 4491798 AAHCQDKSQKCSCU-YMGXUNRSSA-N 382.466 4.947 10 40 GJCB Oc1ccc(Cl)cc1C1=NN2[C@H](c3cccnc3)Oc3ccccc3[C@H]2C1 6721648 JBHKJBUTZBUJDZ-NQIIRXRSSA-N 377.831 4.683 10 40 GJCB CC(=C\c1ccccc1)/C=C1/SC(=S)N([C@H](C(=O)O)c2ccccc2)C1=O 11852195 BPNJKEMCBOUUAM-FGOROCHQSA-N 395.505 4.660 10 40 GJCB CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 218956767 XXICSNDSFIKICD-MOPGFXCFSA-N 380.532 4.742 10 40 GJCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(F)cc2)c1C 222784187 AXHGPIUJPOMDBH-SFTDATJTSA-N 394.519 4.621 10 40 GJCB COc1cc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccsc2)ccc1O 245170846 XIXKRWXSECZWSH-UWJYYQICSA-N 378.453 4.705 10 40 GJCB Cc1ccccc1NC(=O)Cn1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1 6234598 RBJVQGMTPQHWKV-UHFFFAOYSA-N 396.874 4.773 10 40 GJCB CCOC(=O)c1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)cc1 21729008 CFOLCQCBYGZHBA-QFIPXVFZSA-N 399.450 4.714 10 40 GJCB CC(=O)Nc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 27229894 BLCNYZLQCIQLMM-ZDLGFXPLSA-N 393.493 4.532 10 40 GJCB CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 222865783 JJIRPJIWGOVXKA-WMZHIEFXSA-N 380.532 4.958 10 40 GJCB Cc1ccc(OCc2nc(CNCCCSc3nccs3)cs2)cc1 72310914 LOFJMXOHYQAJGU-UHFFFAOYSA-N 391.587 4.759 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(C)cc1 409022333 KIIAKUMTJMCULV-WQRHYEAKSA-N 381.859 4.834 10 40 GJCB CCOc1ccc(/C=C2\C(=O)N(c3ccccc3Cl)C(C)=C2C(=O)OC)cc1 409056321 CPDXOXZYSGUZQF-LGMDPLHJSA-N 397.858 4.616 10 40 GJCB CCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C1=O 409108918 ZLOIIAJYJFQKBV-RQZCQDPDSA-N 390.892 4.812 10 40 GJCB Cc1cccc(N2C(=O)/C(=C\c3coc4ccccc4c3=O)SC2=S)c1 409369698 FARZLFHKXFHMRM-LICLKQGHSA-N 379.462 4.507 10 40 GJCB Cc1ccc2ccc([C@@H](Nc3ccc(Cl)cn3)c3cccnc3)c(O)c2n1 46085455 QMAIKXRUUCOFEM-IBGZPJMESA-N 376.847 4.894 10 40 GJCB Cc1c(NC(=O)c2sccc2-n2c(C)ccc2C)cccc1N1CCCC1=O 64996518 WFQNSKMQAUACPK-UHFFFAOYSA-N 393.512 4.843 10 40 GJCB CCN(CC)S(=O)(=O)c1ccc(/N=N/c2ccc(O)c3ccccc23)cc1 17821403 KFMBBMBRVCEKEM-QURGRASLSA-N 383.473 4.991 10 40 GJCB CC(C)CN(CC(C)C)c1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1[N+](=O)[O-] 59488539 CHALQHFBGPAPOV-NRFANRHFSA-N 396.491 4.567 10 40 GJCB COc1cc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)ccc1O 13688943 FCKUOVWGPUFDNJ-ODLFYWEKSA-N 393.489 4.960 10 40 GJCB Cc1cccc(C2=NN3C(=N)/C(=C/c4ccc(C(C)C)cc4)C(=O)N=C3S2)c1 33447313 FKIHIGKRIVULTC-BIWIXZEJSA-N 388.496 4.786 10 40 GJCB CC(C)Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCc2ccccc21 44085789 AALVURZVBQEDAB-UHFFFAOYSA-N 391.540 4.888 10 40 GJCB Cc1ccc(C)n1-c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 58850479 WMNVTWJNRYCMES-UHFFFAOYSA-N 394.418 4.914 10 40 GJCB COc1ccc2nc(N/C=C3/C(=O)N(c4cccc(Cl)c4)N=C3C)sc2c1 101129557 LQZQUIATXJTHJT-XNTDXEJSSA-N 398.875 4.677 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)N=C2c2ccc(C)cc2)cc1 408756338 RKVQWSRLFVBYID-XQNSMLJCSA-N 398.462 4.847 10 40 GJCB Cc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccc(O)cc2)cc1 408763649 UEDWINAZJTTXDL-XQNSMLJCSA-N 397.478 4.601 10 40 GJCB COc1ccc(NC2=NC(=O)/C(=C\c3ccccc3Br)S2)cc1 5796139 MGQFUGMDYYEUNX-XNTDXEJSSA-N 389.274 4.540 10 40 GJCB Cc1oc2ccc(O)c(CN3CCC(C)CC3)c2c1C(=O)NC1CCCCC1 6811157 XJHWLILWUOHTGN-UHFFFAOYSA-N 384.520 4.741 10 40 GJCB COc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)c1O 7884565 DSDUZARNNNSGLK-HXUWFJFHSA-N 380.831 4.825 10 40 GJCB CCOC(=O)c1cccc(N[C@H](c2ccncc2)c2ccc3cccnc3c2O)c1 27644763 AOTYQFFSROTLFT-OAQYLSRUSA-N 399.450 4.714 10 40 GJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(OC)cc1OC 112124636 MIQWRTVGXKOCOB-STZFKDTASA-N 397.450 4.732 10 40 GJCB Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C 222744626 RYCNLVWNLGFJTD-RBBKRZOGSA-N 390.556 4.708 10 40 GJCB Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)c1 408647115 SHHVMPGQBRGSEM-UHFFFAOYSA-N 376.456 4.506 10 40 GJCB CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(N(C)C)cc2)cc1 714126 JMDIDHKUZPYSAD-HSZRJFAPSA-N 387.483 4.922 10 40 GJCB COc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 219306236 VWPVPWFJFCUBMP-QYZOEREBSA-N 396.531 4.576 10 40 GJCB COc1ccc(CN2C(=O)/C(=C/c3cc(C)n(C4CC4)c3C)SC2=S)cc1 409137939 YPXVNGFZXONLBI-ODLFYWEKSA-N 398.553 4.850 10 40 GJCB CCCCOC(=O)CCCN1C(=O)S/C(=C/c2ccc(OC)cc2)C1=S 5010052 ONRADMIJWQRKLI-DTQAZKPQSA-N 393.530 4.656 10 40 GJCB O=C(NCc1ccccn1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 42880943 FGGZBLMXYSHUBU-QHCPKHFHSA-N 383.451 4.529 10 40 GJCB CCN1/C(=C2/SC(=S)N(CCc3ccccc3)C2=O)Sc2ccccc21 100202124 JVGUCWVBYQHGLL-ZPHPHTNESA-N 398.578 4.891 10 40 GJCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\N=c1[nH]c2ccc(C)cc2s1 408533692 OVAZWAULYWMOAN-GDNBJRDFSA-N 396.903 4.707 10 40 GJCB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1c(F)cccc1Cl 409017081 JSELFNYHWWGZNS-BOPFTXTBSA-N 399.849 4.973 10 40 GJCB CC(C)CN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 409049208 YFSHOVJNMCCNLX-SXGWCWSVSA-N 388.470 4.712 10 40 GJCB COc1ccc(C2=C/C(=C/c3ccc(Cl)cc3Cl)C(=O)O2)c(OC)c1 5526758 GTGSEIMXBVACOW-GHXNOFRVSA-N 377.223 4.992 10 40 GJCB CCN(CC)c1ccc2c(c1)OC(=O)N[C@@]2(c1ccc(C)cc1)C(F)(F)F 26779901 CSTAHUFXOUPREX-LJQANCHMSA-N 378.394 4.749 10 40 GJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccccc4)cc3)C2=O)cc1C 408857327 NSYMOCRSXBEHLE-PXLXIMEGSA-N 396.446 4.637 10 40 GJCB Cc1noc(C)c1CC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 10911795 OYLFCMVOGRERFI-XMMPIXPASA-N 386.451 4.599 10 40 GJCB Cc1ccc(C)n1-c1ccsc1-c1cc2ncc(-c3ccccn3)c(N)n2n1 1393599 NEAUHOSITQKCEK-UHFFFAOYSA-N 386.484 4.510 10 40 GJCB CCN1/C(=C/C=C2\SC(=S)N(Cc3ccccc3)C2=O)Oc2ccccc21 5247238 AVTGBYABIMHCHW-BKHHGCLFSA-N 394.521 4.691 10 40 GJCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1nc2ccc(Cl)cc2s1 101346773 RMISNBCFZBRGEM-ZROIWOOFSA-N 386.839 4.807 10 40 GJCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cccc(C)n1 103917463 OTQDGTTZTGJFJM-RGEXLXHISA-N 391.500 4.889 10 40 GJCB COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OC 4032093 OXDKOCZWGPUIBH-HKWRFOASSA-N 384.435 4.538 10 40 GJCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3cccc(C)n3)C2=O)cc1 103920310 TXAWJSLBDCDMKS-XLNRJJMWSA-N 398.466 4.536 10 40 GJCB CCc1cc([N+](=O)[O-])ccc1N/C=C1\C(=O)N(c2ccc(C)c(Cl)c2)N=C1C 408530693 MLWUTXYWHPLUMK-BOPFTXTBSA-N 398.850 4.838 10 40 GJCB COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c(OC)c1 1240491 BOIUTOIOUKDMBN-LZYBPNLTSA-N 391.901 4.763 10 40 GJCB COc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(=O)/C=C/c2ccccc2)cc1 1270379 GGFNVLXOKBHUQT-LJJIPZOBSA-N 398.462 4.792 10 40 GJCB CC[C@@]1(C)C[C@@](CCNCc2ccccc2O)(c2ccccc2OC)CCO1 4029023 ZURXJQRDJNACHN-ZEQRLZLVSA-N 383.532 4.798 10 40 GJCB biogenic CCN(CC)c1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 4733070 CMPLDWHPJJCOQV-YEXLONIWSA-N 389.543 4.560 10 40 GJCB O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1CCOc1ccccc1 9188769 QERDVDSDFLBIPK-WJDWOHSUSA-N 393.892 4.759 10 40 GJCB Cc1cc2oc(=O)c(Cc3ccccc3)c(C)c2c(O)c1CN1CCCCC1 20403906 LAPDGWRYHWOVHK-UHFFFAOYSA-N 377.484 4.692 10 40 GJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1Cl 222739555 VXZSPZGHOZPGMC-PMACEKPBSA-N 396.947 4.745 10 40 GJCB O=C1/C(=C\c2ccccc2F)SC(=S)N1CNc1cccc(Cl)c1 408722740 WRFPPDBBQSXEQL-OVCLIPMQSA-N 378.881 4.750 10 40 GJCB CN(C)c1ncnc2c1N=C1CC(C)(C)CC(NCc3ccccc3)=C1S2 4953802 JVCOKWALGWAKGD-UHFFFAOYSA-N 379.533 4.542 10 40 GJCB Nc1ccc(Sc2nc3ccccc3s2)c2c1C(=O)c1ccccc1C2=O 5234102 LZBSRGGBVAHAED-UHFFFAOYSA-N 388.473 4.805 10 40 GJCB COc1ccc(N2CCN(c3nc(-c4ccccc4)c4ccccc4n3)CC2)cc1 6585134 JHYXHIOKZDDTRV-UHFFFAOYSA-N 396.494 4.632 10 40 GJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 8092249 XNDCVYXZEJKOQZ-FTLABTOESA-N 384.819 4.861 10 40 GJCB COc1ccc(OC)c(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c1 1250335 KJWJNJDAJJBQKM-CXUHLZMHSA-N 391.901 4.763 10 40 GJCB Cc1cccc(CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3)C2=O)c1 106707714 UJZGYIZWCFACED-ZHZULCJRSA-N 378.497 4.832 10 40 GJCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(F)c2)c1C 222783972 IBNXTAZHFMRHLO-RTWAWAEBSA-N 394.519 4.621 10 40 GJCB O=C1/C(=C\c2ccccc2)SC(=S)N1c1cccc(Br)c1 1045909 ZGWJLVBFAPBIRR-NTEUORMPSA-N 376.300 4.855 10 40 GJCB CN(C)c1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 1417213 RCBOKPOORZUGGT-LICLKQGHSA-N 390.867 4.782 10 40 GJCB O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1ccc2c(c1)OCO2 1417242 KAPYVBRNQKZNHZ-VIZOYTHASA-N 393.848 4.614 10 40 GJCB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N=C2S1 20037217 VFXRKPRYLOCPRX-KUOUREISSA-N 376.485 4.570 10 40 GJCB O=C1N=C(O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1Cc1ccco1 33352764 IBOPKISDVWVFFQ-YBEGLDIGSA-N 396.786 4.695 10 40 GJCB O=C1/C(=C\c2cc3c(cc2Cl)OCO3)SC(=S)N1c1cccc(F)c1 59417988 JFBMKBSMHVRHFP-PJQLUOCWSA-N 393.848 4.614 10 40 GJCB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1ccc(N(C)C)cc1 7361352 LNKBMPPUQPTNDX-IBGZPJMESA-N 387.527 4.879 10 40 GJCB COc1ccc(Oc2c(C)oc3c(CN4CCCCC4)c(O)ccc3c2=O)cc1 20390737 LVFHGHXIWSDNCJ-UHFFFAOYSA-N 395.455 4.594 10 40 GJCB biogenic Cc1cc(C(=O)NCc2coc(-c3cccs3)n2)c(C)n1-c1ccccc1F 25467842 QMFSWYHONKKVKK-UHFFFAOYSA-N 395.459 4.880 10 40 GJCB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCC[C@@H](C)C2)c1O 2277994 HFRVLQCUWFIUKP-CYBMUJFWSA-N 398.528 4.725 10 40 GJCB CCOc1ccccc1NC(=O)c1c(NCc2cccn2C)sc2c1CCC2 5714222 YBEMZNMJJJTODG-UHFFFAOYSA-N 395.528 4.838 10 40 GJCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NC3CCCCC3)C2=O)cc1 17079517 SAKZWHQBDPJBIH-XLNRJJMWSA-N 389.499 4.642 10 40 GJCB O=C1N=C(Nc2ccccc2C(F)(F)F)S/C1=C/c1cccc([N+](=O)[O-])c1 33341815 AEHRDAUHHJXYAM-NTEUORMPSA-N 393.346 4.696 10 40 GJCB COC(=O)c1ccc(/C=C2/SC(Nc3ccc4ccccc4c3)=NC2=O)cc1 6871734 IESORLJNOBYNPJ-XDHOZWIPSA-N 388.448 4.709 10 40 GJCB Cc1ccc(CN(Cc2cc(C)n(-c3ncccc3C)c2C)C[C@H](C)O)s1 19237890 PTZBZVXIHZIJIS-KRWDZBQOSA-N 383.561 4.550 10 40 GJCB CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3c4c(c(=O)oc23)CCCC4)C1 101089995 SCSBZQIUAIKSBS-IZHWHUGBSA-N 381.516 4.778 10 40 GJCB Cc1ccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(C)c1 4541616 ILDYVKMRGRPIMD-UHFFFAOYSA-N 376.456 4.506 10 40 GJCB Cc1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 4682410 BFQUGTKBOCVDNN-RCCKNPSSSA-N 383.407 4.738 10 40 GJCB COC(=O)c1ccoc1CSc1ncc(-c2ccccc2)n1Cc1ccco1 23355427 KDQIZYIZZDNRPW-UHFFFAOYSA-N 394.452 4.863 10 40 GJCB N=C1/C(=C/c2c[nH]c3ccccc23)C(=O)N=C2SC=C(c3ccc(F)cc3)N12 41083602 AGMIYEBSLCZQHZ-NJOZZACWSA-N 388.427 4.611 10 40 GJCB O=C1/C(=C\c2ccc(Br)s2)SC(=S)N1c1ccccc1 209468584 LSRSZZVBRWPKAY-DHZHZOJOSA-N 382.329 4.916 10 40 GJCB COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)cc1Cl 225694699 ABANBXCTXLCPFK-AWEZNQCLSA-N 389.952 4.996 10 40 GJCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 222782577 DBQXHWQQJZLYEU-VXKWHMMOSA-N 390.556 4.790 10 40 GJCB Cc1cc(N2CCCCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 260763052 IHFJHYBEXUAICF-VOQZNFBZSA-N 392.572 4.970 10 40 GJCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)cc3F)N21 260786503 XPWBYIODJRXRNA-NQERJWCQSA-N 396.535 4.800 10 40 GJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(OC)c1OC)N2 409164920 PQVBJRUMPFAKBE-VLXJIEOASA-N 399.874 4.970 10 40 GJCB COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)c(OC)c1 1308746 USBNARIXDHMVPP-ZDLGFXPLSA-N 385.510 4.726 10 40 GJCB COc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c(OC)c1 4749357 HZJGSOFWAIFHNG-NCUBORBFSA-N 385.510 4.666 10 40 GJCB COc1ccccc1/C=C1\SC(=S)N(CNc2ccccc2Cl)C1=O 33319749 UQCRTWVWYDXOJH-YBEGLDIGSA-N 390.917 4.619 10 40 GJCB Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Br)o2)cc1 227148032 QACTZSNKHMNMIG-ZRDIBKRKSA-N 383.245 4.943 10 40 GJCB CC(=O)c1c2c3c(c(Nc4ccc(C)cc4)ccc3[nH]c1=O)C(=O)c1ccccc1-2 5852054 CWGOHCNWXIBRCX-UHFFFAOYSA-N 394.430 4.994 10 40 GJCB Oc1ccc(C2=NN3[C@H](c4cccnc4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 102907381 RSMMAABWFWTLQW-CTNGQTDRSA-N 377.831 4.683 10 40 GJCB O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1Cl)c1ccc(Cl)cc1 828902 RSKVWTKRRPOKTF-UHFFFAOYSA-N 387.071 4.807 10 40 GJCB CCCOc1ccc(OC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)cc1 3417978 RZDTVHICOMVABW-UHFFFAOYSA-N 388.419 4.760 10 40 GJCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccccc1 100163504 BTYRBDCPXFDYTH-HKWRFOASSA-N 390.512 4.863 10 40 GJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1Cl 222739419 VXZSPZGHOZPGMC-UXHICEINSA-N 396.947 4.745 10 40 GJCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccc(OC)cc2)cc1 408766908 WSTIHJJPSOYHSS-HAVVHWLPSA-N 398.462 4.928 10 40 GJCB CCc1ccc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(C)=C2C(=O)OC)cc1 409058170 ITLMQXYMASRIHN-NOEYKIMYSA-N 375.468 4.683 10 40 GJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NCCc1c[nH]c2ccccc12 12410855 ROETVPHTNGFRDL-HKWRFOASSA-N 390.462 4.526 10 40 GJCB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 218687605 ISBKFVHLBGJRJX-VAMGGRTRSA-N 380.532 4.876 10 40 GJCB CC(=O)Oc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 409327921 NPGMYHIIWHDYIS-YBEGLDIGSA-N 389.885 4.671 10 40 GJCB COc1ccc(O)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 116739398 BQGMMFZDQBVDCE-UHFFFAOYSA-N 381.403 4.885 10 40 GJCB Cc1cc(C(=O)[C@H](C)Sc2nnc3n2CCCCC3)c(C)n1-c1ccccc1 6098053 TYORIUZTZYXBRF-KRWDZBQOSA-N 394.544 4.776 10 40 GJCB CN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2F)SC1=S 6734381 PVRDAUPRHYIHSR-SXGWCWSVSA-N 393.892 4.889 10 40 GJCB C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(F)cc3F)cc2)C1 225690863 HCHGYKHAZSYUDE-AWEZNQCLSA-N 375.488 4.688 10 40 GJCB COc1ccccc1/C=C1/SC(=S)N(CNc2cc(C)ccc2C)C1=O 408721214 FDIGEAIZGRFSQJ-WOJGMQOQSA-N 384.526 4.583 10 40 GJCB O=C1N=C(Nc2cccc(Cl)c2Cl)S/C1=C/c1cccc([N+](=O)[O-])c1 1286795 RIYOHMVPMMRTBD-MDWZMJQESA-N 394.239 4.984 10 40 GJCB CCOc1cc(C)c(C[C@@H]2SC(=S)N(CC(C)C)C2=O)cc1C(C)C 6958370 JCSFIGCVMZKFCW-SFHVURJKSA-N 379.591 4.945 10 40 GJCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=N)N12 103563294 XCKHETCOJDREOQ-JBTTYCITSA-N 396.903 4.915 10 40 GJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(C(=O)OC)cc1 103918896 BSTVFKXOUUAGEH-ZHZULCJRSA-N 395.434 4.501 10 40 GJCB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1ccc(Br)cc1 13749877 HMJHNGLSCNMNQI-ZROIWOOFSA-N 394.290 4.994 10 40 GJCB Cc1cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1 33626363 GTRBHBPZAWZTOO-MOSHPQCFSA-N 391.858 4.845 10 40 GJCB Cc1ccc2nc(CC(=O)c3ccccc3)c(CC(=O)c3ccccc3)nc2c1 104241283 QHLUXQFWOQUJKX-UHFFFAOYSA-N 380.447 4.789 10 40 GJCB COc1ccc(OC)c([C@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@H]3C=CC[C@H]32)c1 4744268 NFQIZAIUORKUBD-QUJCMNEKSA-N 385.847 4.882 10 40 GJCB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2O)n2c(nc3ccccc32)N1 14164619 BIFVGJFKOYUDKQ-QFIPXVFZSA-N 396.450 4.670 10 40 GJCB Oc1c([C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)ccc2cccnc12 21486246 BMBNTQYGBGSDPL-IBGZPJMESA-N 389.282 4.669 10 40 GJCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 221876422 IKLGKAYKRLAFHQ-VWKPWSFCSA-N 394.427 4.607 10 40 GJCB CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O 409194271 JDMSMLNGNQQAAD-BRFSQIRFSA-N 386.542 4.820 10 40 GJCB Cn1cccc1/C=C1\SC(Nc2ccc(Cl)cc2C(F)(F)F)=NC1=O 13810908 OWUTXKRYJGVCGD-JYRVWZFOSA-N 385.798 4.780 10 40 GJCB C/C(NC(C)(C)C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 17079745 KUPPWVATEQXLFO-JXAWBTAJSA-N 390.512 4.709 10 40 GJCB COc1ccccc1-c1coc2c(CN3CCCC[C@H]3C)c(O)ccc2c1=O 19790388 ACICCXCUFOEWRG-OAHLLOKOSA-N 379.456 4.549 10 40 GJCB biogenic O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1C1CCCCC1 9189191 RHWMDOQXDNSVDW-UVTDQMKNSA-N 382.348 4.983 10 40 GJCB Cc1ccc(-n2c(C)cc(CN(Cc3ccc(C)s3)C[C@H](C)O)c2C)nc1 19216211 XEMZNMCKJIQTBB-KRWDZBQOSA-N 383.561 4.550 10 40 GJCB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1 224989771 DKYGFEINHINPCO-UHFFFAOYSA-N 386.923 4.804 10 40 GJCB COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(C)cc3)C2=O)cc1 408758941 VEFIJLASKCUNEY-PXLXIMEGSA-N 386.426 4.977 10 40 GJCB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1 4541585 OPBZZEISDKOEBZ-UHFFFAOYSA-N 376.456 4.506 10 40 GJCB CCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 6804318 IMYRPHJCCMXCBM-UHFFFAOYSA-N 378.472 4.587 10 40 GJCB O=C1N=C(Nc2ccc(Br)cc2)S/C1=C\C=C\c1ccco1 13811133 UPWCXRIAKWXIBS-NQDFZQDQSA-N 375.247 4.681 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1Cl 14010511 YSUGLQBZSVHDHX-AQTBWJFISA-N 397.858 4.616 10 40 GJCB CCOc1ccc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc1OCC 33552340 MOFAMKHTGBLWKF-UYRXBGFRSA-N 382.485 4.875 10 40 GJCB Cc1cc(C)cc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260453158 FRGHAPQZPQXCRT-FXAWDEMLSA-N 380.532 4.796 10 40 GJCB Cc1cccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2c2cccc(C)c2)c1 408752032 FMGOBZPBVGTSQJ-PXLXIMEGSA-N 396.446 4.836 10 40 GJCB CN(C)c1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 408752915 DJEKXPXWNICKQW-CJLVFECKSA-N 385.442 4.726 10 40 GJCB CC[n+]1c(/C=C/C=C/N(C(C)=O)c2ccccc2)sc2cc(OC)ccc21 1827106 GRDSXUGBDULMBW-UHFFFAOYSA-N 379.505 4.797 10 40 GJCB COc1ccc(/C=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC 5371406 QCVDOEMVAXIIKK-WQRHYEAKSA-N 385.510 4.726 10 40 GJCB Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)oc2ccccc12 6747969 MKSFSVQOANECAL-HXUWFJFHSA-N 392.499 4.629 10 40 GJCB CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)cc1 222738364 PPTMCUJOUGMGBA-YADHBBJMSA-N 390.556 4.654 10 40 GJCB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCCCC2)cc1 224852640 JBIQBMSWZRRIKN-LJQANCHMSA-N 392.543 4.639 10 40 GJCB Cc1cccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1C 260619520 NHRURVODYMLPDD-PXNSSMCTSA-N 380.532 4.796 10 40 GJCB COc1cccc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)c1 409332967 STWLHGNGHDZUHU-CXUHLZMHSA-N 391.901 4.763 10 40 GJCB Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccccc1Cl 892104 SKKRAXSLQAYPBE-UHFFFAOYSA-N 375.856 4.610 10 40 GJCB COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 14465696 LHCOLEJQIBOSJN-OPYAIIAOSA-N 382.891 4.543 10 40 GJCB CCn1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)c2ccccc21 33364939 WZTNOMOTXLUTKH-YVLHZVERSA-N 393.830 4.821 10 40 GJCB CCN(CC)c1ccc(/C=C2/SC(=S)N(CNc3ccccc3)C2=O)cc1 3020415 OQECIRGLBYAXKR-XMHGGMMESA-N 397.569 4.804 10 40 GJCB CCOc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C 6781038 OHBRYHLAEFNNEP-UHFFFAOYSA-N 390.483 4.931 10 40 GJCB COC(=O)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 6950662 DXIQTOOQVNHRSN-VEVIJQCQSA-N 384.819 4.861 10 40 GJCB O=C1/C(=C/c2ccc(-c3ccccc3)cc2)SC(=S)N1C[C@@H]1CCCO1 9188340 XWBNNINQFXIEHP-UZNZLNSGSA-N 381.522 4.734 10 40 GJCB COc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 218751004 YFBSMINBLPQVAH-QYZOEREBSA-N 396.531 4.576 10 40 GJCB CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1Cl 223253174 CEAMOTZMTVCTJS-UHFFFAOYSA-N 394.905 4.663 10 40 GJCB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCCC2)cc1 224065953 PKZPVGVVLWXMIA-XMMPIXPASA-N 392.543 4.639 10 40 GJCB COc1ccccc1/C=C1/SC(Nc2ccccc2C(F)(F)F)=NC1=O 2453194 HIBIPDOQLNXDRW-XNTDXEJSSA-N 378.375 4.796 10 40 GJCB Cc1ccc(N2C(=O)/C(=C/c3coc4ccccc4c3=O)SC2=S)cc1C 409372227 YISMFTHNNFDSKL-ZDLGFXPLSA-N 393.489 4.816 10 40 GJCB Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1-c1ccc(F)cc1 6097439 OJINENXCXMCXDO-UHFFFAOYSA-N 398.507 4.526 10 40 GJCB Cc1c(Cl)cccc1NC(=O)COC(=O)c1cccc(-n2c(C)ccc2C)c1 7378881 VUGYCDGRNOWKFK-UHFFFAOYSA-N 396.874 4.851 10 40 GJCB COc1cccc2c1O[C@H](c1ccco1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 10215986 NMKZSRFCGHBDPK-IIBYNOLFSA-N 396.830 4.890 10 40 GJCB CCOc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1OC 13552974 WHDNZOPWXGZJFL-PDGQHHTCSA-N 385.510 4.808 10 40 GJCB CCCCc1ccc(NC2=NC(=O)/C(=C\c3ccc(C(=O)O)cc3)S2)cc1 35043218 OFGBCFBLNKHIJR-QGOAFFKASA-N 380.469 4.810 10 40 GJCB COc1cccc(-n2c(C)cc(C(=O)N[C@@H](C)c3sc(C)nc3C)c2C)c1 65532097 KDPVPIHYXSOXOQ-AWEZNQCLSA-N 383.517 4.667 10 40 GJCB O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1c1ccc(F)cc1 9188535 LVSHVXYOBAGKJJ-ZROIWOOFSA-N 394.290 4.994 10 40 GJCB COc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 219306102 DTVOMIVDTBOSRW-OALUTQOASA-N 396.531 4.576 10 40 GJCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc3c(c2)C[C@@H](C)O3)SC1=S 2329702 WHJXWLVCNUSNND-XYCUDVCBSA-N 381.522 4.972 10 40 GJCB Cc1cc(C(=O)Nc2cccc(N3CCCC3=O)c2)c(C)n1-c1ccccc1F 12545570 KLWDLGSMICXLHC-UHFFFAOYSA-N 391.446 4.612 10 40 GJCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2F)c1C 222783840 YNLDXKXYPKFDTQ-NHCUHLMSSA-N 394.519 4.621 10 40 GJCB Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)c(O)c3ccccc23)c(C)c1 3077271 MQMUREIFKYBHOS-UHFFFAOYSA-N 375.877 4.925 10 40 GJCB CSc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1 3353927 XLCHRSBJFRUKMX-OQLLNIDSSA-N 387.507 4.513 10 40 GJCB CCN(CC[N+](CC)(CC)CC)c1ccc(OCC[N+](CC)(CC)CC)cc1 5322111 CTHSSGWOMTZEQB-UHFFFAOYSA-N 393.660 4.645 10 40 GJCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)OC)c3[C@H]3C=CC[C@H]32)cc1 8101583 GVSYVNJYFGNIHH-KHYOSLBOSA-N 397.858 4.740 10 40 GJCB Cc1ccc(N2C(=O)N=C(O)/C(=C/c3c(Cl)cccc3Cl)C2=O)cc1 9042830 VDNWMRUOLOYKGP-LCYFTJDESA-N 375.211 4.809 10 40 GJCB O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1ccccc1 12376655 GGDBIMMTGQTCBB-NTEUORMPSA-N 376.846 4.654 10 40 GJCB Cc1ccc(NC(=S)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1Cl 13039516 KGFLFHUHQUWJQW-KRWDZBQOSA-N 390.936 4.732 10 40 GJCB CCOc1cc2c(cc1OCC)[C@H](c1cc(Cl)cc(Cl)c1O)NCC2 22063316 UIPPHNFLELONTR-GOSISDBHSA-N 382.287 4.732 10 40 GJCB Cc1nc(-c2ccc3ccccc3c2)n(CN(C)Cc2ccc(N(C)C)cc2)n1 58005048 BXTCXAUSRHHNRQ-UHFFFAOYSA-N 385.515 4.562 10 40 GJCB Cc1oc2ccc(O)c(CN3CCC(C)CC3)c2c1C(=O)NCc1ccccc1 5182635 HIYXWLOZPNDEAC-UHFFFAOYSA-N 392.499 4.609 10 40 GJCB CCOc1ccccc1NC1=NC(=O)/C(=C\c2ccc(OCC)c(OC)c2)S1 5809229 SNDGRXQDGNGTDO-CPNJWEJPSA-N 398.484 4.575 10 40 GJCB COc1cccc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)c1OC 13713583 NFYKRFGJZFTJGK-GDNBJRDFSA-N 391.901 4.763 10 40 GJCB C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(N2CCC[C@@H](C)C2)cc1 217888829 HFGFSMYXEVSCCH-SUHLXZCWSA-N 393.487 4.722 10 40 GJCB Cc1cc(N2CCCCC2)ccc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222594959 IHFJHYBEXUAICF-HSQYWUDLSA-N 392.572 4.970 10 40 GJCB CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(OC)c1 408902722 QMCSUOYRVPQENI-CPNJWEJPSA-N 398.553 4.947 10 40 GJCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1cccs1 112124354 JLGXLQNOEVTUMQ-AQTBWJFISA-N 396.541 4.924 10 40 GJCB CCOc1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1Cl 225774229 IDVZPPWPMWWPAA-MRXNPFEDSA-N 386.923 4.905 10 40 GJCB Cc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(c2ccc(Cl)cc2)C1=O 409235372 ZYAASUPWBDWJCK-XSFVSMFZSA-N 395.890 4.736 10 40 GJCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C1=O 409246417 ICOPTWPGIHRBFY-CXUHLZMHSA-N 392.286 4.704 10 40 GJCB Cc1c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c2ccccc2n1C 409346865 LRNFYPSSJOJNTE-XDHOZWIPSA-N 378.522 4.888 10 40 GJCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)C1 260466190 HFGFSMYXEVSCCH-ROCPSLNWSA-N 393.487 4.722 10 40 GJCB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1-c1ccccc1 7902494 PUSHZFOYTPKRML-UHFFFAOYSA-N 392.528 4.873 10 40 GJCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 13615409 YQZKOUOSWQKKJB-GPMSIDNRSA-N 381.388 4.728 10 40 GJCB COc1ccc(OC)c(/C=C2/SC(=S)N(c3cc(C)ccc3C)C2=O)c1 35039046 SHPHPVWYHMEMLF-WOJGMQOQSA-N 385.510 4.726 10 40 GJCB O=C1N=C(Nc2ccc(Cl)cc2Cl)S/C1=C\c1ccc(C(=O)O)cc1 35397584 ZFHPQOPGJWAHIW-AUWJEWJLSA-N 393.251 4.774 10 40 GJCB CC(C)CN(Cc1c(O)ccc2cc(-c3ccccn3)c(=O)oc12)CC(C)C 41513811 CIYGIHBDIIGCRP-UHFFFAOYSA-N 380.488 4.675 10 40 GJCB biogenic O=C1N=C(Nc2cc(Cl)cc(Cl)c2)S/C1=C\c1ccc2c(c1)OCO2 1476490 KSPLGHPWPPYLOY-TVPGTPATSA-N 393.251 4.805 10 40 GJCB COc1ccc(N[C@@H](C)C(=O)c2cc(C)n(-c3ccccc3)c2C)c(OC)c1 33045907 SKQXOLPOYYABIN-INIZCTEOSA-N 378.472 4.795 10 40 GJCB CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 107771653 UWZXYKWMLKZCEL-QGOAFFKASA-N 385.510 4.890 10 40 GJCB Cn1c(-c2ccccc2)cnc1SCC(=O)N(Cc1ccccc1F)C1CC1 7210626 CBPNHBNXKDFANW-UHFFFAOYSA-N 395.503 4.510 10 40 GJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(Cl)cc1 222740040 RFDLMHGOMACYPO-VQTJNVASSA-N 396.947 4.745 10 40 GJCB COc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225654241 BHGLPACNSLOOAY-KRWDZBQOSA-N 383.561 4.979 10 40 GJCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 227046985 CYBLCGWUHVMXIL-DBXWQHBBSA-N 379.481 4.706 10 40 GJCB O=C(c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21)N1CCCC1 4950935 YVXGPJAHJFSSKT-WAOWUJCRSA-N 389.455 4.657 10 40 GJCB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 218972991 IKUVNXUMIKWATF-AABGKKOBSA-N 380.532 4.876 10 40 GJCB CCC(=O)N1c2ccc(Cl)cc2[C@@H]2C=CC[C@H]2[C@H]1c1cccc2ccccc12 239432922 WXGSZCLVYGKRSJ-DZRGJMJISA-N 387.910 6.651 10 40 GJCB COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1O 4164987 RYPCGUFJRBGVJA-KKSFZXQISA-N 378.453 4.705 10 40 GJCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC 15013202 RWCUFXQRYVVJKC-BOPFTXTBSA-N 384.863 4.944 10 40 GJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1 222826722 KLEXGXRMMZIADJ-VXKWHMMOSA-N 390.556 4.870 10 40 GJCB O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(OCc2ccccc2)cc1 2072238 XLTPDMNUFDKRFX-HKWRFOASSA-N 378.497 4.722 10 40 GJCB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1ccccc1Br 2439898 HVSVGZGXDPVEIP-ZROIWOOFSA-N 394.290 4.994 10 40 GJCB CCc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 5372251 WNQZFSZAZGUZSM-WQRHYEAKSA-N 385.510 4.672 10 40 GJCB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 218687190 VUWBEOXGTKCJOT-UXHICEINSA-N 380.532 4.876 10 40 GJCB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N3CCCCC3)c(F)c2)S1 222607857 KLPIOOAPLGQPGF-LPTQZCDUSA-N 396.535 4.800 10 40 GJCB Cc1cc(C(=O)[C@H](C)Sc2nnc(N)s2)c(C)n1-c1ccc(Cl)cc1 3343830 KMAIPRILWBNXJI-NSHDSACASA-N 392.937 4.545 10 40 GJCB Oc1ccc(Br)cc1[C@@H]1CC(c2ccccc2)=N[C@@H](c2ccco2)N1 5027371 QXHILNQOTGWIEY-FXAWDEMLSA-N 397.272 4.970 10 40 GJCB COc1ccc2ccccc2c1/C=C1\C(=O)N(c2cccc(C)c2)C(=O)N=C1O 33319642 XOILSRWIGIZZME-UYRXBGFRSA-N 386.407 4.664 10 40 GJCB FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1nnc(Cc2ccccc2)o1 58406868 YYESUKCZQLKQRW-UHFFFAOYSA-N 389.377 4.512 10 40 GJCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccccc1OC(F)(F)F 112123378 GZBSDIWMNGAJSB-BOPFTXTBSA-N 393.340 4.833 10 40 GJCB Cc1c(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] 217876245 RRKAQDHTOTTYDF-NVXWUHKLSA-N 381.476 4.631 10 40 GJCB COc1ccc(N=Nc2ccc(N)cc2N)cc1N=Nc1ccc(N)cc1N 254405602 GYSUSQZGUOGDNB-UHFFFAOYSA-N 376.424 4.855 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cccc(C)c1 408585246 YBNKIRZRPVWHFV-YBEGLDIGSA-N 385.822 4.665 10 40 GJCB CN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 4838769 MYIYJLKVQXWUIR-YBEGLDIGSA-N 375.902 4.750 10 40 GJCB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3CC)C2=O)ccc1O 5372062 QTVNOAPPVRUIOD-PDGQHHTCSA-N 385.510 4.759 10 40 GJCB O=C1NC(=S)S/C1=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 6244087 HBIPTWYNYDDVAS-LDADJPATSA-N 391.473 4.548 10 40 GJCB CC(C)c1c2oc3c(O)c(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCCC1 85876113 FAKYNPPVCLKIKS-UHFFFAOYSA-N 381.432 4.664 10 40 GJCB biogenic Cc1ccc(Cn2cc(/C=C3/SC(=S)N(C)C3=O)c3ccccc32)cc1 113838625 HPLHLSRMOGSIRM-YBFXNURJSA-N 378.522 4.829 10 40 GJCB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2/SC(=O)N(C(C)C)C2=O)c1C 409017075 JSEJGUPGNDGERC-VCHYOVAHSA-N 398.484 4.545 10 40 GJCB COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC 1235931 MEOJLAGMNXLGAS-CXUHLZMHSA-N 391.901 4.763 10 40 GJCB CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1 38752828 CBPUCGKDNJKPNK-IBGZPJMESA-N 380.532 4.884 10 40 GJCB CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H](c1ccccc1)[C@H]1CC=C[C@@H]21 239274781 ARLIBSQDLKMFGT-BPWYQTPCSA-N 397.518 5.758 10 40 GJCB CCCCc1ccc(NC2=NC(=O)/C(=C\c3ccc(O)c(OC)c3)S2)cc1 35043440 UHILQVXSJVNFRS-CPNJWEJPSA-N 382.485 4.826 10 40 GJCB COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccccc3)C2=O)c(OC)c1 408758474 KOAITZADYAXBQZ-PXLXIMEGSA-N 398.462 4.847 10 40 GJCB O=C1c2ccccc2C(=O)c2c1ccc1sc(-c3cccc([N+](=O)[O-])c3)nc21 3845277 XLSPHACQUNJORK-UHFFFAOYSA-N 386.388 4.647 10 40 GJCB biogenic CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 222988133 IRPJSSMYAINECO-FCHUYYIVSA-N 390.556 4.953 10 40 GJCB COc1ccccc1/C=C1/N=C(c2cccc(C)c2)N(c2ccc(O)cc2)C1=O 408759899 NRHAUOZWOLQTOZ-RCCKNPSSSA-N 384.435 4.544 10 40 GJCB O=C1NC(=S)S/C1=C\c1ccccc1OC(=O)c1cccc2ccccc12 408887768 TZEZHSNSCGACJK-PDGQHHTCSA-N 391.473 4.548 10 40 GJCB CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(O)=NC1=S 6938229 DHTFHHORSLYWHC-XYOKQWHBSA-N 395.267 4.740 10 40 GJCB COC(=O)c1ccc2c(c1C)N[C@H](c1cccc(OC)c1OC)[C@H]1CC=C[C@H]21 6960295 BXXKVDWPGCXYKA-QYWGDWMGSA-N 379.456 4.625 10 40 GJCB COc1ccc2c(c1)CCCN2C[C@H](O)COc1ccc(-c2ccccc2)cc1 12528541 FQOGLKMUHOHXMX-QFIPXVFZSA-N 389.495 4.555 10 40 GJCB Cc1ccccc1-n1c(C)cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1C 12553225 RKLYLKLDGYNQGU-UHFFFAOYSA-N 387.483 4.547 10 40 GJCB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)N=C2S1 20037213 NXFFMZGGLYJWEX-KUOUREISSA-N 376.485 4.570 10 40 GJCB Cc1cc(/C=C2\Sc3ccccc3NC2=O)c(C)n1-c1ccc(C(=O)O)cc1 409102397 SNGDFAAIIZLNGU-NDENLUEZSA-N 390.464 4.878 10 40 GJCB O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=S)N1c1ccccc1F 409346845 LOBFQPQCGDTFFM-AQTBWJFISA-N 384.501 4.832 10 40 GJCB O=[N+]([O-])c1ccc([C@@H](Nc2nccs2)c2ccc3cccnc3c2O)cc1 1004567 VBMBLYPJQKXYQD-MRXNPFEDSA-N 378.413 4.507 10 40 GJCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCSc1ccc(C)cc1 17078323 AMVYMYHSXWXTMB-HKWRFOASSA-N 383.492 4.513 10 40 GJCB CCOc1ccc(O)c([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)c1 58366527 OUMSCOYCXNSBAK-QHCPKHFHSA-N 388.467 4.866 10 40 GJCB Cc1c([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc(N2CCCC2)c1C 222594570 UQAIIJIHOZQLHK-ARBPTSGCSA-N 392.572 4.888 10 40 GJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(Cl)c1 222739817 MWYNKCDRDOIHCQ-PMACEKPBSA-N 396.947 4.745 10 40 GJCB Cc1ccc(C)c(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260577908 PFZHRDANHMJVCB-ICSRJNTNSA-N 380.532 4.796 10 40 GJCB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(N3CCCCC3)cc2)S1 260781094 SLVQHVWLHPGQKV-TYCQWZJGSA-N 378.545 4.661 10 40 GJCB COc1cc(Br)cc(CNc2ccc(C(F)(F)F)cc2)c1O 2383616 YCWJARYWFJPHED-UHFFFAOYSA-N 376.172 4.794 10 40 GJCB COc1ccc([C@@]2(CCNCc3ccc(N(C)C)cc3)CCOC(C)(C)C2)cc1 3999358 LUJUQMARKCFLHN-VWLOTQADSA-N 396.575 4.768 10 40 GJCB biogenic Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1ccc(F)c(Cl)c1 6534305 NYBUBUCFBODHAK-UHFFFAOYSA-N 381.885 4.713 10 40 GJCB CC(C)(C)/N=[N+](\[O-])c1c(Br)cc(Br)cc1[N+](=O)[O-] 63772510 CMTPPSIUBDJINO-YPKPFQOOSA-N 381.024 4.512 10 40 GJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1Br 103448806 XQXXKAIHQBWQOA-XNTDXEJSSA-N 375.653 4.909 10 40 GJCB CNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 409378147 MQWIZMAFULLXTN-GJYPPUQNSA-N 383.289 4.635 10 40 GJCB CCOc1ccc(/C=C2\SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1 5372270 FLLGQUBCFAAPPE-WQRHYEAKSA-N 383.494 4.694 10 40 GJCB CCOc1ccc(N2CCN(CCCOc3cccc4ccccc34)CC2)cc1 1653840498 KEIWEZOKEURJHT-UHFFFAOYSA-N 390.527 4.830 10 40 GJCB O=C1/C(=C/c2ccc(N3CCOCC3)cc2)c2ccccc2N1c1ccccc1 4682231 DJRIHPQGQXUHEX-PTGBLXJZSA-N 382.463 4.742 10 40 GJCB COc1ccc(CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 5372170 ABRYOUURINIJGY-VNVABUEJSA-N 381.522 4.695 10 40 GJCB CCc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3Cc3ccccc3)C2=O)cc1 8742748 UJYUIVVOBQNISJ-RCCKNPSSSA-N 399.450 4.606 10 40 GJCB O=[N+]([O-])c1ccc(O)c([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 15016297 QBXJFNBAXULQBL-OXJNMPFZSA-N 393.424 4.604 10 40 GJCB O=C(CSc1nc2cc(F)c(F)cc2[nH]1)Nc1ccccc1C(F)(F)F 25062536 HJXHHGMDMPDXFC-UHFFFAOYSA-N 387.333 4.591 10 40 GJCB Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)oc2ccccc12 6747968 MKSFSVQOANECAL-FQEVSTJZSA-N 392.499 4.629 10 40 GJCB CCOc1cc(C)c(C[C@H]2SC(=S)N(CC(C)C)C2=O)cc1C(C)C 6958354 JCSFIGCVMZKFCW-GOSISDBHSA-N 379.591 4.945 10 40 GJCB O=C1/C(=C\c2ccc3ccccc3n2)SC(=S)N1CCc1ccccc1 9423194 VXIZCXRKPCXWEO-XMHGGMMESA-N 376.506 4.679 10 40 GJCB C[C@@H]1Oc2ccccc2C=C1/C=C1/SC(=S)N(c2cccc(O)c2)C1=O 13691027 BCJDOPHFHFKIPO-NNLQFVHNSA-N 381.478 4.505 10 40 GJCB CCc1ccc(/C=C2/SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)cc1 35041398 UAFMCZJNARAGOI-LICLKQGHSA-N 383.494 4.661 10 40 GJCB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(N2CCCC2)cc1 216318744 LBPMUNFTSBKDFN-DEOSSOPVSA-N 388.511 4.914 10 40 GJCB Cc1cc(N2CCCCC2)ccc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222594836 IHFJHYBEXUAICF-WTOYTKOKSA-N 392.572 4.970 10 40 GJCB O=C1/C(=C\c2cccc(F)c2)SC(=S)N1C(=O)c1ccc(Cl)cc1 408822850 YOZIVUJBKQJBJK-NTEUORMPSA-N 377.849 4.521 10 40 GJCB O=C1/C(=C/c2c(Cl)cccc2Cl)C(O)=NC(=S)N1c1ccccc1 16995801 NARZMWRGRWQJPM-FMIVXFBMSA-N 377.252 4.665 10 40 GJCB Cc1c(Cl)cnc(NC(=S)NCc2ccc(N3CCCC3)cc2)c1Cl 223950593 DLRGCWGPLMQOPB-UHFFFAOYSA-N 395.359 4.784 10 40 GJCB COc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 225667927 BFABXBHHTBUAGU-IAGOWNOFSA-N 383.561 4.979 10 40 GJCB COc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)cc1 408758383 JIHJDXZQSSRZOD-HAVVHWLPSA-N 397.478 4.596 10 40 GJCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1O 1190873 OEPPUGNPHNOIGT-CXUHLZMHSA-N 391.901 4.850 10 40 GJCB COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)c1 2307797 ILDPPGZFHQGHCE-WQRHYEAKSA-N 385.510 4.726 10 40 GJCB COc1ccc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(OC)c1 12032498 HZJGSOFWAIFHNG-FHXOWUIVSA-N 385.510 4.666 10 40 GJCB Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)Cn2c(C)csc2=O)cc1 17336540 BSPZUEVGADEPFV-GHVJWSGMSA-N 380.473 4.889 10 40 GJCB CCCCCCN1C(=O)N=C(O)/C(=C/c2cn(CCC)c3ccccc23)C1=O 33779235 NIWIKERCUWMBDR-JXAWBTAJSA-N 381.476 4.934 10 40 GJCB Cc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219289211 LDSCQGDEKDZPBF-MISYRCLQSA-N 380.532 4.876 10 40 GJCB CCN(CC)c1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)c1 222563578 VPMZQZFYZVJLTR-DQLDELGASA-N 380.561 4.826 10 40 GJCB CC(=O)N1CCc2cc(NC(=O)/C=C/c3cc(C)n(-c4ccccc4)c3C)ccc21 12589084 QAAXCMUXOGVYEQ-FMIVXFBMSA-N 399.494 4.655 10 40 GJCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C(=N)N12 103563371 BPDGVFDSZZXECG-ONBPWHQPSA-N 390.512 4.878 10 40 GJCB COc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219502070 JDZULWSARDUKLS-MOPGFXCFSA-N 396.531 4.576 10 40 GJCB COc1cccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(O)cc3)C2=O)c1 408764267 WMUWIOKTEAZEJY-PXLXIMEGSA-N 384.435 4.544 10 40 GJCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 408998526 RBEIKWXEVNTZCB-STZFKDTASA-N 375.468 4.683 10 40 GJCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccccc1OCc1ccccc1F 4501842 IWKCKVCFUZKWOX-UHFFFAOYSA-N 396.414 4.549 10 40 GJCB Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(N3CCOCC3)cc2)cc1 12569539 NSMOXDZDDAVNEX-XMMPIXPASA-N 399.494 4.603 10 40 GJCB COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 14465676 GQWLRWQSMNRAFV-DXIQSLLYSA-N 396.918 4.933 10 40 GJCB CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)c[nH]c12 409126624 LTGBQXKAPLMFRF-MFOYZWKCSA-N 379.510 4.527 10 40 GJCB CCCN1C(=O)/C(=C/c2ccc(O[C@@H](C)CC)c(OCC)c2)SC1=S 409339551 WBJBCVLQODDMQS-IGWPVBGESA-N 379.547 4.874 10 40 GJCB Cc1cc(C(=O)COC(=O)c2ccccc2)c(C)n1-c1ccc(OC(F)F)cc1 3338477 UKFKEXCFDDMZOS-UHFFFAOYSA-N 399.393 4.735 10 40 GJCB CCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccc(N(C)C)cc1 4161548 NNZUUWOCILJGBJ-UHFFFAOYSA-N 398.507 4.506 10 40 GJCB CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 5374285 AUIOBBVVLDGCNX-WRHOCELCSA-N 395.933 4.510 10 40 GJCB CCOc1ccccc1NC(=S)NCc1ccc(N2CCC[C@@H](C)C2)cc1 225689907 WQQUNJHYBLBWPQ-QGZVFWFLSA-N 383.561 4.808 10 40 GJCB CCOc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 408758682 PCSFMXDSWHVKGS-HAVVHWLPSA-N 398.462 4.928 10 40 GJCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1=O 409255710 ZLMARZLWEZOCIJ-DEDYPNTBSA-N 398.528 4.784 10 40 GJCB O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1Cc1ccccc1 3151807 NBSZPSVARFCTPC-GDNBJRDFSA-N 390.327 4.851 10 40 GJCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4cc(C)ccc4C)c3C)C(=N)N12 3868549 PUIGLQAWVVIUDO-ONBPWHQPSA-N 390.512 4.878 10 40 GJCB COc1ccc2[nH]cc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2c1 9420060 HDUPBIHCPCDDQT-NVMNQCDNSA-N 380.494 4.578 10 40 GJCB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C1=C(O)CCCC1=N2 102716295 IMAOZMFJFLHRPW-OAQYLSRUSA-N 387.439 4.806 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc2ccccc12 408892129 GJYKYOGLGFKOHR-JCMHNJIXSA-N 399.446 4.726 10 40 GJCB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 723606 WZTIKNRSYKDRQF-UHFFFAOYSA-N 385.872 4.680 10 40 GJCB CCOC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(C)cc2)cc1 2257603 AHXMKQIYGJKAHU-UHFFFAOYSA-N 377.440 4.647 10 40 GJCB COc1ccccc1-c1coc2c(CN3CCCCCC3)c(O)ccc2c1=O 5918967 NVWXICBOEDLFMH-UHFFFAOYSA-N 379.456 4.550 10 40 GJCB biogenic COc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3ccccc3O)C[C@H]21 6721816 DIFXVNPYNFOGAX-IERDGZPVSA-N 378.453 4.705 10 40 GJCB CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(OC)c2O)cc1 7884075 WUQKYOAGCJWPJN-JOCHJYFZSA-N 390.439 4.571 10 40 GJCB O=C(/C=C/c1cn(Cc2ccccc2)nn1)N(Cc1ccccc1)c1ccccc1 21598401 RRWVGJIKFGPMQL-WUKNDPDISA-N 394.478 4.573 10 40 GJCB CC(C)Cc1c2oc3c(O)c(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCCC1 85877129 PVELVMJPGMZDQE-UHFFFAOYSA-N 395.459 4.739 10 40 GJCB biogenic Cc1cc(N2CCCC2)c(C)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 260772381 NLIQHNLRUFOJIW-ZPMCFJSWSA-N 392.572 4.888 10 40 GJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)O)cc1)N2 4691627 OXEWPAVNHQWPFP-LBTNJELSSA-N 383.831 4.651 10 40 GJCB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1cccc(Cl)c1Cl 15911567 KQWWSRSQBFYZRG-QPEQYQDCSA-N 383.325 4.890 10 40 GJCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)cc(C(=O)O)cc3[C@@H]3C=CC[C@H]32)cc1 32121322 DFZANHVSCRYEGL-RKVPGOIHSA-N 383.831 4.651 10 40 GJCB COc1ccc(OC)c(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)c1 4610948 YYMBDWGNAYARCZ-OQLLNIDSSA-N 391.254 4.817 10 40 GJCB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCCCCC2)c1O 4808829 RFDBHVKRBCXXPR-UHFFFAOYSA-N 398.528 4.869 10 40 GJCB CCCCOC(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 5736811 NJSDWGSDGVVFMD-NTCAYCPXSA-N 397.949 4.665 10 40 GJCB Oc1cc2c(cc1CN1CCN(C(c3ccccc3)c3ccccc3)CC1)CCC2 22029517 UFBRPUJORIQCMY-UHFFFAOYSA-N 398.550 4.788 10 40 GJCB CCc1sc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1C 69436252 GPOGNHLXSWVEFI-IBGZPJMESA-N 386.561 4.506 10 40 GJCB S=C(NCCCN1CCc2ccccc21)Nc1ccc(OC2CCCC2)cc1 225561086 CNZLTRUQKFZHQP-UHFFFAOYSA-N 395.572 4.747 10 40 GJCB CCN1C(=O)/C(=C\c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)SC1=S 409353038 ZZTHBGASKDFTMB-CXUHLZMHSA-N 388.470 4.693 10 40 GJCB CCOc1ccc(/C=C2/SC(Nc3ccc(Cl)cc3)=NC2=O)cc1OC 1863098 ZBYAIHASERWPJD-GZTJUZNOSA-N 388.876 4.830 10 40 GJCB Cc1ccc(/N=N\c2ccc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)cc2)cc1 409382730 ODICZUIJFXCXPG-JMBRJNDQSA-N 375.428 4.872 10 40 GJCB O=C1N=C(Nc2cccc(Cl)c2Cl)S/C1=C/c1ccc([N+](=O)[O-])cc1 6974299 BXURRECLRWVEQO-MDWZMJQESA-N 394.239 4.984 10 40 GJCB CC(C)(C)c1ccc(/C=C2/C(=O)NN(c3cc(Cl)cc(Cl)c3)C2=O)cc1 16323047 SCYAFJJQOOUHOD-IUXPMGMMSA-N 389.282 4.752 10 40 GJCB Cc1ccc(S(=O)(=O)N2N=C(C(C)(C)C)C[C@@H]2c2ccc(N(C)C)cc2)cc1 32925228 FSPLKNZSRMPXFB-HXUWFJFHSA-N 399.560 4.599 10 40 GJCB CCN(CCNC(=S)Nc1ccc(Br)cc1)c1ccc(C)cc1 225792650 CZFPZXLCNXACPX-UHFFFAOYSA-N 392.366 4.570 10 40 GJCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 408942919 REDDSNDUTHDUNK-XQNSMLJCSA-N 396.446 4.708 10 40 GJCB CCOc1ccccc1NC1=NC(=O)/C(=C/c2ccc(OCC)c(OC)c2)S1 959652 SNDGRXQDGNGTDO-UYRXBGFRSA-N 398.484 4.575 10 40 GJCB Cn1c(/C=C2/SC(Nc3ccc4ccccc4c3)=NC2=O)nc2ccccc21 5236058 WZUJTEDEMQUYKF-CPNJWEJPSA-N 384.464 4.809 10 40 GJCB COc1cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc(Cl)c1OC 7165001 UVPYZZIMJVKLDW-YBEGLDIGSA-N 388.876 4.748 10 40 GJCB Oc1c([C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)ccc2cccnc12 21486248 BMBNTQYGBGSDPL-LJQANCHMSA-N 389.282 4.669 10 40 GJCB CCOC(=O)c1cccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)c1 27644728 WFPSPUGQVDBURD-JOCHJYFZSA-N 399.450 4.714 10 40 GJCB CCOC(=O)c1cccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2O)c1 27644755 AOTYQFFSROTLFT-NRFANRHFSA-N 399.450 4.714 10 40 GJCB O=C1/C(=C\c2ccco2)N=C(c2ccccc2Br)N1c1ccccc1 59229914 VVUQQCUILSCKEG-QGOAFFKASA-N 393.240 4.877 10 40 GJCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccc(Cl)cc1 100422757 XXPSNIXGJZFJQD-PDGQHHTCSA-N 396.903 4.736 10 40 GJCB C[C@H]1CCCN(c2ccc(CNC(=S)Nc3c(F)cccc3F)cc2)C1 225691182 NFJTXEKJACJRDB-AWEZNQCLSA-N 375.488 4.688 10 40 GJCB O=C1N=C(N2CCCCC2)S/C1=C/c1ccccc1OCc1ccccc1 2297789 DEIMBYQAYGJLMM-HMMYKYKNSA-N 378.497 4.722 10 40 GJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1c[nH]c2ccccc12 16160862 ZOJCOSBGEOSVJK-YVLHZVERSA-N 380.245 4.737 10 40 GJCB CCCCc1ccc(NC2=NC(=O)/C(=C\c3ccc(C(=O)OC)cc3)S2)cc1 35043240 LSWQDPUEISALQS-XMHGGMMESA-N 394.496 4.898 10 40 GJCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccccn1 100423258 GSYIXYDUBXKDML-AQTBWJFISA-N 377.473 4.580 10 40 GJCB O=C1N/C(=C/c2ccc(N3CCCCC3)c(F)c2)C(=O)N1c1cccc(Cl)c1 409067142 BQYFUKLNTNHYSK-LDADJPATSA-N 399.853 4.567 10 40 GJCB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCCC[C@H]2C)c1O 4824782 FOSBHTHVGCKDJJ-CQSZACIVSA-N 398.528 4.867 10 40 GJCB Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 84191454 CEBXVUKDZKREHF-UHFFFAOYSA-N 387.483 4.582 10 40 GJCB Cc1cccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccccc2)c1 408763146 HUROYXHKVHVPCQ-RCCKNPSSSA-N 382.419 4.528 10 40 GJCB Cc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)c(C)n1-c1ccccc1 408809893 ONFSSETXZBSBPG-UHFFFAOYSA-N 392.479 4.996 10 40 GJCB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc2c(c1)OCO2)CO3 2120411 BQJUZJRIYAWESU-UHFFFAOYSA-N 393.439 4.529 10 40 GJCB biogenic Cc1oc2ccc(O)c(CN(C)Cc3ccccc3)c2c1C(=O)NC1CCCC1 5182740 QYVZXFXMWPKDRB-UHFFFAOYSA-N 392.499 4.751 10 40 GJCB O=c1c(-c2ccc(F)cc2)coc2c(CNCc3ccccc3)c(O)ccc12 32501386 QYEXRSWEIOIMOA-UHFFFAOYSA-N 375.399 4.595 10 40 GJCB COc1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OC 973415 PUEMRTVSGBFDEX-RIYZIHGNSA-N 391.254 4.817 10 40 GJCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCc1ccccc1 1186054 XWGGFGPAQMKKBR-UYRXBGFRSA-N 399.537 4.885 10 40 GJCB CC(C)(C)c1nc(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)no1 28016122 RIJYHYSLHPBVAB-MRXNPFEDSA-N 398.532 4.702 10 40 GJCB O=[N+]([O-])c1ccc([C@@H]2Nc3c(O)cc(Cl)c([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1 35146737 WZGYQFWANGEGHU-MKBNYLNASA-N 387.779 4.689 10 40 GJCB Cc1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c1 408767599 YWIVZIDBBRXGLU-RCCKNPSSSA-N 383.407 4.738 10 40 GJCB O=C1N=C(Nc2cccc3ccccc23)S/C1=C\c1cccc([N+](=O)[O-])c1 8436644 GQBOFRDEVKVXDL-PDGQHHTCSA-N 375.409 4.830 10 40 GJCB O=C1c2ccccc2-c2nc3[nH]nc(O)c3c(-c3ccc(Cl)c(Cl)c3)c21 18196145 UXWRNRKZKUYURP-UHFFFAOYSA-N 382.206 4.849 10 40 GJCB Cc1cc(N2CCCCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222594901 IHFJHYBEXUAICF-BULFRSBZSA-N 392.572 4.970 10 40 GJCB C[C@@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc(N2CCCCC2)cc1 224369853 FDVZYYUUSOAVGT-LJQANCHMSA-N 392.543 4.812 10 40 GJCB COc1ccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c[nH]c2c1 51330868 LYEFESTWONFECU-ODLFYWEKSA-N 394.521 4.620 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCSc1ccc(Cl)cc1 103916385 KBXBLZSWMZWVEH-RGEXLXHISA-N 385.920 4.718 10 40 GJCB CCOc1ccc(/C=C2/SC(Nc3cc(C)ccc3C)=NC2=O)cc1OC 6870522 RRCSHSQUUPNYRH-XDHOZWIPSA-N 382.485 4.793 10 40 GJCB CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(O)=NC1=S 6938234 SOMSFQMCZGKZRU-DHZHZOJOSA-N 395.267 4.740 10 40 GJCB Cc1cc([C@@H]2NN=C(c3ccccc3)S2)c(C)n1-c1ccc2c(c1)OCO2 6961922 FXPCBAPIKTWGHI-OAQYLSRUSA-N 377.469 4.520 10 40 GJCB COc1ccc(/C=C2/SC(Nc3ccc4ccccc4c3)=NC2=O)c(OC)c1 7275226 DVZWSCLLJAESIR-UDWIEESQSA-N 390.464 4.939 10 40 GJCB COc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2c2ccc(F)cc2)cc1 408763942 GTJRHWQTJHFGRG-CPNJWEJPSA-N 378.428 4.730 10 40 GJCB CN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)SC1=S 1220789 BNLLIRHEOMRTKS-ZDLGFXPLSA-N 382.485 4.660 10 40 GJCB Cc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)c1 6721694 LGNGKURHLYJPQX-DENIHFKCSA-N 391.858 4.991 10 40 GJCB COc1ccc2c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c[nH]c2c1 8991605 LYEFESTWONFECU-YBFXNURJSA-N 394.521 4.620 10 40 GJCB Cc1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1 222828924 SAOLZWPDBHSBGK-HXUWFJFHSA-N 380.532 4.796 10 40 GJCB COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)O)c(N)c23)cc1 2207828 LIUZCZSWHHTIKD-UHFFFAOYSA-N 376.437 4.919 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cccc(C)c1 6962900 AZDSGEXRANUXJE-QNGOZBTKSA-N 391.467 4.661 10 40 GJCB Oc1ccc(Cl)cc1C1=NN2[C@H](c3ccncc3)Oc3ccccc3[C@H]2C1 6721646 IYHBKSIFFHRMLY-NQIIRXRSSA-N 377.831 4.683 10 40 GJCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 59959348 DQKMCZWAYFFKAL-HMAPJEAMSA-N 389.495 4.991 10 40 GJCB O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1C1CCCCC1 15012142 AXQXRJXXKAXHES-GXDHUFHOSA-N 382.348 4.983 10 40 GJCB COCCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1ccc(C)cc1 44085888 KCWLNGSUSYRGCA-UHFFFAOYSA-N 395.528 4.544 10 40 GJCB Cc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C(C)C)o1 95476145 DLDNKWAJLOOWOR-UHFFFAOYSA-N 379.372 4.597 10 40 GJCB Cc1ccc(N2CCC(C(=O)NCc3ccc(N4CCCCC4)cc3)CC2)cc1 219861768 GVLYXNLNIHRROU-UHFFFAOYSA-N 391.559 4.518 10 40 GJCB Cc1cccc(OCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1C 222821026 DDTLCORJIUEDRD-HXUWFJFHSA-N 380.532 4.796 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccc(F)cc2)cc1 408755736 PACQRIFFJNWVSU-KGENOOAVSA-N 390.389 4.808 10 40 GJCB Cc1cccc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)c1C 7379084 KOZNLGMRSYMDSY-UHFFFAOYSA-N 376.456 4.506 10 40 GJCB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(OC3CSC3)c1)N2 871765 CYBLCGWUHVMXIL-UEXGIBASSA-N 379.481 4.706 10 40 GJCB Cc1cc(C)c(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)c(C)c1 3318064 OKGVKPMCWZXIGR-UHFFFAOYSA-N 390.483 4.815 10 40 GJCB COc1cc(Cl)cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1O 15011622 HUZUAVZJTJGLSE-ZSOIEALJSA-N 383.922 4.588 10 40 GJCB Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc(Cl)nc2)c(C)n1-c1ccccc1 32766763 HOCVMRRXTYNMCO-HNNXBMFYSA-N 382.847 4.571 10 40 GJCB Cc1ccccc1C(=O)NC1CCN(Cc2c(C)ccc(C(C)C)c2O)CC1 95464157 QYMYTOQYRJQMSW-UHFFFAOYSA-N 380.532 4.527 10 40 GJCB CCN(CC)c1ccc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)c(OC)c1 408742028 MMJHXTXJYLALSX-QGOAFFKASA-N 379.456 4.531 10 40 GJCB O=C1/C(=C\c2ccco2)N=C(c2ccccc2)N1c1cccc(Br)c1 408763952 GYLIDLLJHYBDQS-QGOAFFKASA-N 393.240 4.877 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccccc1OC 409023855 KNMOVZFYZJGKHH-BOPFTXTBSA-N 397.858 4.534 10 40 GJCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1 1261571 GKWXPVYKHAXXOX-SFQUDFHCSA-N 396.855 4.546 10 40 GJCB CSc1c(C(=O)Nc2cccc(C)c2)ccc2c1C(=O)c1ccccc1C2=O 4452087 VAJLACHAZIWAEF-UHFFFAOYSA-N 387.460 4.745 10 40 GJCB CCN(CC)c1ccc(N/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1 6350100 FASUBKCZHOMUOR-ZHZULCJRSA-N 382.895 4.905 10 40 GJCB COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCCC[C@H]3C(F)(F)F)c2C)cc1 27881789 TUHXNOHOGKPZDW-MOPGFXCFSA-N 394.437 4.954 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc2ccccc12 408794053 HPKHPXBKHXFZRR-STZFKDTASA-N 387.410 4.856 10 40 GJCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3Cl)C(C(=O)OC)=C2C)cc1 409003260 YXIKJCFUWLAIIY-AQTBWJFISA-N 397.858 4.616 10 40 GJCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 4657313 GAGRGCXCIHIAGE-MOSHPQCFSA-N 386.407 4.759 10 40 GJCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1cccs1 6307929 JPZFAJCNYATKMQ-AQTBWJFISA-N 375.449 4.779 10 40 GJCB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(N2CCCCC2)cc1 222995138 IRWZIAVEUJDNPE-QHCPKHFHSA-N 380.532 4.768 10 40 GJCB CCCCc1ccc(NC2=NC(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)S2)cc1 5373348 VZYHIOHHDYNDDV-ZCXUNETKSA-N 395.459 4.573 10 40 GJCB CCCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN(C)C)c1O 1507203 BAZSEFLMNFNMNY-UHFFFAOYSA-N 394.496 4.789 10 40 GJCB biogenic CC[C@H](NC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12)c1ccccc1O 89947920 MEQMWELRMVFZED-INIZCTEOSA-N 379.460 4.810 10 40 GJCB CCN1C(=O)/C(=C2/C=Cc3cc(C)ccc3N2CC)N(c2ccccc2)C1=S 101955767 KVQAWYJMVWXHFG-QZQOTICOSA-N 389.524 4.713 10 40 GJCB COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260742209 UGCZVJHCGSFJTH-IRXDYDNUSA-N 383.561 4.979 10 40 GJCB C[C@H](NCc1cc(O)c(CN[C@@H](C)c2ccccc2)cc1O)c1ccccc1 1680966 LWEZAHAWRCMFBJ-ROUUACIJSA-N 376.500 4.799 10 40 GJCB COc1ccc(CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 5371890 UDOMILZGRVWLSW-ATVHPVEESA-N 389.929 4.793 10 40 GJCB COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)ccc1O 12412717 JBSTZSMPPUVWOY-QPEQYQDCSA-N 377.227 4.514 10 40 GJCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 13615443 GPVNEYGIFCJEQU-GPMSIDNRSA-N 381.388 4.728 10 40 GJCB O=C1/C(=C/c2cnc3ccccc3n2)SC(=S)N1c1cccc(Cl)c1 54361192 WIRIAYPRJGVUCY-SXGWCWSVSA-N 383.885 4.689 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1OC 408891861 DBBRIHXMBROALO-AQTBWJFISA-N 397.858 4.616 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc(Cl)c1O 408901838 HRYDDMWSSIMKOF-ZSOIEALJSA-N 391.652 4.614 10 40 GJCB O=C1/C(=C\c2ccccc2F)SC(=S)N1c1cccc(Br)c1 409195972 LRNGALSUIUIKAD-RIYZIHGNSA-N 394.290 4.994 10 40 GJCB CCCCCOC(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 5370888 QBAOXWIKMRGFKG-JUBDITTISA-N 389.542 4.568 10 40 GJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1nnc(-c2ccccc2)s1 101346617 XHQULCAWDOZWKD-WJDWOHSUSA-N 395.875 4.577 10 40 GJCB CCCCSc1nnc2c(n1)OC(C)=Nc1ccc(Br)cc1-2 15017049 FFNPIKWZLBLFPE-UHFFFAOYSA-N 379.283 4.636 10 40 GJCB CCOc1cc2c(cc1OCC)[C@@H](c1cc(Cl)cc(Cl)c1O)NCC2 22063320 UIPPHNFLELONTR-SFHVURJKSA-N 382.287 4.732 10 40 GJCB Cc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)c(C)n1-c1ccc(Cl)cc1 58866077 AXGSVORFCPEWIM-UHFFFAOYSA-N 385.847 4.501 10 40 GJCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3)N21 222690339 YYKZZKGHDLHOPF-IOMROCGXSA-N 378.545 4.661 10 40 GJCB CC1CCN(c2ccc([C@H](C)NC(=O)COc3cccc(Cl)c3)cc2)CC1 222770526 PXTMYMMFSZRTKS-KRWDZBQOSA-N 386.923 4.833 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C/c1c(F)cccc1Cl 408894350 QCDKROOIFQIKHX-GZTJUZNOSA-N 399.849 4.973 10 40 GJCB CC[C@H](C)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 6005054 ALZJUYNYMOIOMT-YAFRSCOQSA-N 388.470 4.855 10 40 GJCB CCOc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1OC 13647700 MLQRLZBDCWXCMD-YVLHZVERSA-N 389.473 4.639 10 40 GJCB Cc1ccccc1-n1c(C)cc(C(=O)Nc2cc3c(cc2F)CCC(=O)N3)c1C 33217877 WKTGCEYUDAXBBP-UHFFFAOYSA-N 391.446 4.679 10 40 GJCB COc1ccccc1/C=C/C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 217966709 MHYYGDWDKCOQSE-YFPIXMDGSA-N 378.516 4.822 10 40 GJCB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OC 60512809 PGBGKBSNQDCLAF-BOPFTXTBSA-N 389.473 4.639 10 40 GJCB CC1CCN(c2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)CC1 141538150 YQFRJFVFCSDOPY-UHFFFAOYSA-N 391.559 4.843 10 40 GJCB CCN(CCCNC(=S)Nc1cccc(OC(C)C)c1)c1ccc(C)cc1 225734701 ILMWOICOWJKYKP-UHFFFAOYSA-N 385.577 4.985 10 40 GJCB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C(=O)N=C2S1 20037276 VAOOIEKUQZMMCP-ONBPWHQPSA-N 390.512 4.878 10 40 GJCB COc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)cc(Cl)c1O 104132426 FCRXSADZPPJXMG-MKMNVTDBSA-N 377.227 4.514 10 40 GJCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)COc3ccccc3Cl)cc2)C1 260453209 GLGDWJFKKBCMTB-IRXDYDNUSA-N 386.923 4.833 10 40 GJCB Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccccc1Br 408811608 LRELCMWTMNOTOX-DHDCSXOGSA-N 391.290 4.523 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccs1 4696422 ORXWNCBWHJKBEQ-LCYFTJDESA-N 394.279 4.932 10 40 GJCB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2nc3ccccc3n2C)SC1=S 5236000 PNIPZQAARRZOPE-LVLBFHFTSA-N 379.510 4.536 10 40 GJCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(/N=N/c2ccccc2)cc1O 58866158 PXMYJXPJSWDDSD-GHVJWSGMSA-N 378.384 4.561 10 40 GJCB COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OC(C)C 209721298 CMYVQQDVAKRZMH-LDADJPATSA-N 385.510 4.888 10 40 GJCB O=C1c2ccccc2N[C@H](c2cc(Cl)ccc2O)N1c1ccc2c(c1)OCO2 7885102 JKPKFZXQKGXVFI-FQEVSTJZSA-N 394.814 4.545 10 40 GJCB Cc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 68741001 ZPIPBGWCBDEIAH-UHFFFAOYSA-N 385.872 4.680 10 40 GJCB CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br 408903305 XDDYQGJZEVHEHV-LFIBNONCSA-N 385.261 4.654 10 40 GJCB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/SC(=O)N(C(C)C)C2=O)c1C 409017195 XRBJIRCBTGDZJU-VCHYOVAHSA-N 399.472 4.755 10 40 GJCB COc1cc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccs2)ccc1O 10215488 GHOXFWFQDUSHAB-IIBYNOLFSA-N 378.453 4.705 10 40 GJCB CCOC(=O)/C=C/c1ccc(/N=[N+](/[O-])c2ccc(/C=C/C(=O)OCC)cc2)cc1 100355721 CBLCNQSQQWICQM-CIMLEVGUSA-N 394.427 4.765 10 40 GJCB Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl 140011006 BOJVSRKVNCWCIX-OAHLLOKOSA-N 389.952 4.533 10 40 GJCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)C1 260466187 HFGFSMYXEVSCCH-DQADQBJQSA-N 393.487 4.722 10 40 GJCB COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1 409329963 JFDGLKKEDAWRIE-SXGWCWSVSA-N 391.901 4.763 10 40 GJCB Cc1ccccc1N1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC1=S 409330767 MLOIBKDXTQTRJV-DHDCSXOGSA-N 390.873 4.962 10 40 GJCB Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2)cc1 2258942 UHCHMDNUQCQVBA-DEDYPNTBSA-N 382.419 4.558 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(Cl)c(C(=O)OC(C)C)c1 5576122 SYIGDOUWIRGPEQ-PDGQHHTCSA-N 397.862 4.624 10 40 GJCB CC(=O)c1cc2c(N)c(C(=O)OCc3cccc4ccccc34)sc2nc1C 12569411 DODRCYOVFMAIQT-UHFFFAOYSA-N 390.464 4.900 10 40 GJCB O=C1/C(=C/c2ccsc2)C(O)=NC(=S)N1c1cccc(Cl)c1Cl 27533428 FNBZBJJBIXLSRM-RMKNXTFCSA-N 383.281 4.727 10 40 GJCB Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)c1 222744849 QMZXYJIUORORAC-YADHBBJMSA-N 390.556 4.708 10 40 GJCB COc1ccc(C2=C/C(=C/c3c(OC(C)=O)ccc4ccccc34)C(=O)O2)cc1 408742175 NOOIWKLGXRGIOH-AQTBWJFISA-N 386.403 4.755 10 40 GJCB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 218687376 ISBKFVHLBGJRJX-AABGKKOBSA-N 380.532 4.876 10 40 GJCB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 222865901 JJIRPJIWGOVXKA-AUSIDOKSSA-N 380.532 4.958 10 40 GJCB Cc1cc(N2CCCCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 260763056 IHFJHYBEXUAICF-ZPMCFJSWSA-N 392.572 4.970 10 40 GJCB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCCC[C@@H]2C)c1O 4824778 FOSBHTHVGCKDJJ-AWEZNQCLSA-N 398.528 4.867 10 40 GJCB O=C(O)CCCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S 5873961 IUGGUSIFWIOQQO-GHRIWEEISA-N 399.493 4.545 10 40 GJCB COc1ccc([C@@H]2N=C(c3ccc(F)cc3)C[C@@H](c3ccccc3O)N2)cc1 80325042 ZEDFSBQGAYMBFW-JTHBVZDNSA-N 376.431 4.762 10 40 GJCB CCOc1ccc(Cl)cc1/C=C1/C(=O)N(c2cccc(C)c2)C(=O)N=C1O 83292130 PRUFVGPQQWXLFU-LFIBNONCSA-N 384.819 4.554 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccc(F)cc2)cc1 408752228 GVEXYDUKMBNJLN-KGENOOAVSA-N 390.389 4.808 10 40 GJCB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C1=O 409012917 RWNFHZVTZSGMHE-GNUZOCDUSA-N 397.544 4.995 10 40 GJCB CC1=CN2C(=N)/C(=C/c3ccc(SCc4ccccc4)o3)C(=O)N=C2S1 5028577 GAPSUUIZYSQZCO-KTVYXKAUSA-N 381.482 4.739 10 40 GJCB O=Cc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 5375110 FWYGRZKMNSTYPZ-CHHVJCJISA-N 377.849 4.697 10 40 GJCB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCCCC3)c(F)c2)S1 222607731 KLPIOOAPLGQPGF-NQERJWCQSA-N 396.535 4.800 10 40 GJCB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(N2CCCCC2)cc1 222995090 IRWZIAVEUJDNPE-HSZRJFAPSA-N 380.532 4.768 10 40 GJCB CCN(CC)c1ccc(/C=C2/C=C(c3cc(OC)ccc3OC)OC2=O)cc1 408978405 ZMCVCRKRWIPLCJ-LGMDPLHJSA-N 379.456 4.531 10 40 GJCB Cc1cc(/C=C2\Sc3ccccc3NC2=O)c(C)n1-c1cccc(C(=O)O)c1 409101589 YRNVPWHKCXJCMA-NDENLUEZSA-N 390.464 4.878 10 40 GJCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S 5552003 AINFRCYDADKZPD-FDIDWWNZSA-N 385.510 4.540 10 40 GJCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1cccc(Cl)c1Cl 6202302 AATJZQMISHEOHA-UVTDQMKNSA-N 380.271 4.609 10 40 GJCB Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)Nc3c(C)cccc3C)c2C)cc1 6830901 RGGWDQWIJUECBA-UHFFFAOYSA-N 390.483 4.815 10 40 GJCB CCN(CC)c1ccc(CNC(=O)CSCc2c(F)cccc2Cl)cc1 224504853 PKOMSBOVEYIAOH-UHFFFAOYSA-N 394.943 4.875 10 40 GJCB CCOc1ccccc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C 409050479 WIVJYJIBFYFETM-FLIBITNWSA-N 396.315 4.587 10 40 GJCB CCCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3)cc2)SC1=S 1162380 SKDPJKBCYRAFFL-LGMDPLHJSA-N 383.494 4.517 10 40 GJCB CCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1 4680357 TWIBSQIGQWSIFV-GZTJUZNOSA-N 399.493 4.579 10 40 GJCB Cc1ccccc1NC1=NC(=O)/C(=C\c2csc(-c3ccccn3)n2)S1 40139640 CEYAZXJYYNNPAZ-MHWRWJLKSA-N 378.482 4.596 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2C)o1 408901909 ISQJBOXVYVKZCH-DEDYPNTBSA-N 386.407 4.759 10 40 GJCB CSc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1 409036352 VTWKOPTVFCJBLS-YRNVUSSQSA-N 398.356 4.910 10 40 GJCB Cc1ccc(S(=O)(=O)N2N=C(C(C)(C)C)C[C@H]2c2ccc(N(C)C)cc2)cc1 32925226 FSPLKNZSRMPXFB-FQEVSTJZSA-N 399.560 4.599 10 40 GJCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1cccc(Br)c1 225423036 OVNJAYPZKVDWTC-UHFFFAOYSA-N 390.350 4.536 10 40 GJCB CCC1=NN2C(=N)/C(=C/c3ccc(-c4ccccc4Cl)o3)C(=O)N=C2S1 3864201 GXWXGSADKOQDDW-SQQRRHNYSA-N 384.848 4.629 10 40 GJCB COC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21 4959462 AKNZEKOLMKDERA-TVZGQMOCSA-N 384.819 4.861 10 40 GJCB CCN(CC)c1ccc(/C=C2/N=C(c3ccccc3Br)OC2=O)cc1 5736372 NWRLJCJTBDTAHC-QGOAFFKASA-N 399.288 4.640 10 40 GJCB Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)c4cnccn4)n3)c2C)cc1 15651489 MJUNNIRAQUIKTN-UHFFFAOYSA-N 389.484 4.568 10 40 GJCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2F)o1 15799634 UIQLVASACOZBNN-PDGQHHTCSA-N 390.370 4.590 10 40 GJCB COc1ccc(Oc2coc3c(CN4CCCCCC4)c(O)ccc3c2=O)cc1 19791761 RDGFNMUELKUYHF-UHFFFAOYSA-N 395.455 4.676 10 40 GJCB biogenic CC(/C=C1\SC(Nc2cc(C(=O)O)ccc2C)=NC1=O)=C\c1ccccc1 54164393 XHSFWOVHUYODQQ-IWIADCQQSA-N 378.453 4.722 10 40 GJCB O=C1N=C(NC2CCCCC2)S/C1=C\c1ccccc1OCc1cccnc1 65488310 BIPRJKYHAYHYPC-MOSHPQCFSA-N 393.512 4.553 10 40 GJCB O=C(COc1ccc2c(c1)OCO2)Nc1ccc(/N=N/c2ccccc2)cc1 6049312 MTBXPJFHCRJKOW-WCWDXBQESA-N 375.384 4.848 10 40 GJCB COc1ccc(N2CCN(C(=O)c3ccc(-c4ccc(F)cc4)s3)CC2)cc1 7181519 QHYMMJNEQJMMBS-UHFFFAOYSA-N 396.487 4.525 10 40 GJCB O=C1/C(=C/c2cccc3nccnc23)SC(=S)N1c1ccc(Cl)cc1 13693455 MVWUTQLYFBNULV-GDNBJRDFSA-N 383.885 4.689 10 40 GJCB Cc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-] 33398536 RJMGQXYYDCHYLE-NVNXTCNLSA-N 390.873 4.962 10 40 GJCB Cc1ccc(COc2ccc(/C=C3\SC(=S)NC3=O)cc2Cl)cc1 408530013 KCCHTJCQVYVASZ-SXGWCWSVSA-N 375.902 4.716 10 40 GJCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1c(O)ccc2ccccc12 408997968 PLHPACFMBQHKSP-STZFKDTASA-N 399.446 4.731 10 40 GJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1c(C)cccc1C 4596798 GPBHVXNSWMEHBA-GZTJUZNOSA-N 384.277 4.784 10 40 GJCB CCOc1ccc(-n2c(C)cc(CNCCc3ccc(OC)cc3)c2C)cc1 6784978 RQYQFRVLSDNION-UHFFFAOYSA-N 378.516 4.834 10 40 GJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O 13660714 OPIZDXCWDFDWKJ-WQRHYEAKSA-N 385.510 4.814 10 40 GJCB Cc1c(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cccc1[N+](=O)[O-] 217875911 HHKOZKNMGZRCJK-KRWDZBQOSA-N 381.476 4.631 10 40 GJCB CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1ccccc1 408528027 DWCAXTSYNOHONK-WJDWOHSUSA-N 384.277 4.784 10 40 GJCB Cc1ccc(/N=N\c2ccc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)cc2)cc1 409382728 ODICZUIJFXCXPG-HEWAIGHSSA-N 375.428 4.872 10 40 GJCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc4c(c3)OCO4)cc2)C1 260732832 BTWSBIAMBGZEBK-JKSUJKDBSA-N 397.544 4.699 10 40 GJCB O=C(O)c1ccc2c(c1)C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C2=O 3844567 VCEQTPJIVOSEJJ-UHFFFAOYSA-N 390.005 4.774 10 40 GJCB biogenic CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccco2)cc1 5201072 VTKMGSYJFSCPMA-BKULYWANSA-N 396.531 4.634 10 40 GJCB Oc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)cc1 10215401 AVJQABJNILUNCY-PZJWPPBQSA-N 377.831 4.683 10 40 GJCB CCN(CC)c1ccc(CNC(=O)CSCc2ccc(Cl)cc2)cc1 224792694 YJBRPTLYGQZHGQ-UHFFFAOYSA-N 376.953 4.736 10 40 GJCB COc1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(OC)c1 4749355 HZJGSOFWAIFHNG-FHNWIRHTSA-N 385.510 4.666 10 40 GJCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 5372190 BOQFLOAHCDEZTA-WIXUPIFPSA-N 381.478 4.655 10 40 GJCB CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(OC)c2O)cc1 7884076 WUQKYOAGCJWPJN-QFIPXVFZSA-N 390.439 4.571 10 40 GJCB O=C1/C(=C/c2ccc(-c3ccccc3)cc2)SC(=S)N1C[C@H]1CCCO1 9188341 XWBNNINQFXIEHP-ZJYZBMPFSA-N 381.522 4.734 10 40 GJCB CCOc1ccc(Br)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C 12412003 QVCBCYPNFBKJNT-ATVHPVEESA-N 385.261 4.654 10 40 GJCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1ccc(C)cc1 26642829 IQMRXJWVRZJJFU-UNOMPAQXSA-N 399.537 4.804 10 40 GJCB CCCn1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)c2ccccc21 33331427 YRQRKGYFTDOUBV-AQTBWJFISA-N 389.480 4.723 10 40 GJCB O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 40123024 FMYDOOKPIVNMLK-HNNXBMFYSA-N 395.286 4.912 10 40 GJCB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 222865838 JJIRPJIWGOVXKA-CVDCTZTESA-N 380.532 4.958 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(Br)cc1Cl 408535171 XVHJJFZABZIDHO-UVTDQMKNSA-N 390.668 4.821 10 40 GJCB O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1c1cccc(F)c1 408973381 MGXIMWASKQDOMR-ZSOIEALJSA-N 394.290 4.994 10 40 GJCB O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 986254 JOFYGVGLDWMWPK-AUWJEWJLSA-N 397.399 4.522 10 40 GJCB CCOc1ccc(NC(=O)C(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 6781031 WRPCKRRTSFGGOQ-UHFFFAOYSA-N 390.483 4.931 10 40 GJCB Cc1cc(C(=O)CSc2ccc3c(c2)OCCCO3)c(C)n1-c1ccccn1 8528917 NNTGNVUDVWCEBF-UHFFFAOYSA-N 394.496 4.625 10 40 GJCB O=C1/C(=C/c2cccc3ccccc23)C(O)=NC(=S)N1c1ccc(F)cc1 2281172 BGARQKPZNYRCIL-LDADJPATSA-N 376.412 4.651 10 40 GJCB Cc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCCCC4)c23)cc1 5182515 GLZUJOAZKLDPQM-UHFFFAOYSA-N 378.472 4.993 10 40 GJCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccccc1Br 5442711 JTFJFNKOFYFORO-RVDMUPIBSA-N 384.277 4.784 10 40 GJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 8092254 HJNULKZPBGQDPX-LBTNJELSSA-N 384.819 4.861 10 40 GJCB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)C(=CC[C@@H]4CC(=O)C=[N+]=[N-])[C@@H]3CC[C@@H]2C1 13423832 AQCXSKKPNFSFAR-WYUGEEFQSA-N 398.547 4.757 10 40 GJCB biogenic,in-vitro O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1Cc1ccccc1 15011484 GRQDLTRHEJQBRL-OQLLNIDSSA-N 390.873 4.650 10 40 GJCB O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1 33441361 AILJZEWLLZKSJO-ZSOIEALJSA-N 394.836 4.793 10 40 GJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3ccc(Cl)cc3)cc2)C1 217831553 TYGJUSUVILYXLX-IAGOWNOFSA-N 386.923 4.833 10 40 GJCB COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 225665160 QCWDZABRYARCCW-INIZCTEOSA-N 397.544 4.511 10 40 GJCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(N(CC)CC)cc3)S2)cc1 408779511 XMOUNKMEEZIMJH-BARSGRSVSA-N 381.545 4.695 10 40 GJCB COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 1253418 YSWCYHAARAYDIZ-CXUHLZMHSA-N 391.901 4.763 10 40 GJCB CC[C@H](C)N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 6005061 XSIKBOMHNMQCFX-YAFRSCOQSA-N 388.470 4.855 10 40 GJCB Cc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccnc2)c1 6721696 VOEHNIYCICPPPJ-DENIHFKCSA-N 391.858 4.991 10 40 GJCB O=C1N=C(Nc2ccccc2Br)S/C1=C/c1cccc(F)c1 16672931 RJBIXUYKOYLHRC-NTEUORMPSA-N 377.238 4.671 10 40 GJCB COc1cccc([C@@H]2Nc3c(Cl)cc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)c1OC 85381348 IZAQNJVXZGNRRF-FHSNZYRGSA-N 385.847 4.882 10 40 GJCB CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)cc1 222738490 PPTMCUJOUGMGBA-VXKWHMMOSA-N 390.556 4.654 10 40 GJCB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C1=O 409127749 RFCBJGLXESENPF-XDHOZWIPSA-N 398.528 4.702 10 40 GJCB COc1cccc(CNc2ncc(-c3ccc(Cl)c(Cl)c3)n2C)c1O 4678298 XQTKCNRJMRNXJB-UHFFFAOYSA-N 378.259 4.720 10 40 GJCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 5371398 MMNMSVXPXQDPDA-PDGQHHTCSA-N 385.510 4.672 10 40 GJCB CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC)SC2=S)cc1 9188497 ZXSRUJVZYIDPKA-AQTBWJFISA-N 385.510 4.890 10 40 GJCB CCCCc1ccc(N2C(=O)/C(=C\c3ccc(O)c(O)c3)SC2=S)cc1 35038857 IZXKLAMMIXDKTO-LDADJPATSA-N 385.510 4.846 10 40 GJCB O=C1/C(=C/c2ccccc2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1 59459819 WNRGFYWBKDMDFH-ZROIWOOFSA-N 376.846 4.654 10 40 GJCB Cc1nn(C(=O)c2ccncc2)c(C)c1/N=N/c1ccc(Br)cc1 17991159 FJFQDUPBDBOUQZ-QZQOTICOSA-N 384.237 4.761 10 40 GJCB Cc1cccc(N[C@@H](c2ccncc2)c2cc(Cl)c3cccnc3c2O)n1 45944577 BAULLPMRXGTTBP-IBGZPJMESA-N 376.847 4.894 10 40 GJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cc([N+](=O)[O-])ccc1C 112124341 MTQFZWSLOVTPGZ-ZHZULCJRSA-N 396.422 4.931 10 40 GJCB COc1ccc(-c2c(C)c3ccc(O)c(CN4CCC[C@H](C)C4)c3oc2=O)cc1 4340382 BRLFVADWFABQPW-HNNXBMFYSA-N 393.483 4.715 10 40 GJCB biogenic CCCOC(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1 6138741 HKCOFFVPKSKJFM-STZFKDTASA-N 391.471 4.589 10 40 GJCB CCCCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CCC)C3=O)c2C)cc1 409230951 HEXLJMKKFVAGON-RCCKNPSSSA-N 379.504 4.739 10 40 GJCB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1 6865627 OOYUEBDMRYJOKP-UHFFFAOYSA-N 396.874 4.851 10 40 GJCB CCN1C(=O)N/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C1=O 409249192 SPMDVZZMSYDRFJ-XDHOZWIPSA-N 393.874 4.564 10 40 GJCB CC(C)(C)[C@]12C(=O)C(=O)[C@@]3(C(C)(C)C)[C@@H]([C@H]1C2(Cl)Cl)C3(Cl)Cl 4844041 ANVKBIDRBUAYNI-VAXLJCBTSA-N 386.146 4.811 10 40 GJCB O=C(O)c1ccc2c(c1Sc1ccc(Cl)cc1)C(=O)c1ccccc1C2=O 5015097 FSPDHVIBDMOQHR-UHFFFAOYSA-N 394.835 4.965 10 40 GJCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/C(C)=C/c3ccccc3)S2)cc1 5373150 UUPAYBMHKLCRFA-VAWAYFNOSA-N 377.469 4.674 10 40 GJCB CC1CCN(c2ccc([C@@H](C)NC(=O)COc3ccccc3Cl)cc2)CC1 218849917 VXTBTSFJXOIUAR-QGZVFWFLSA-N 386.923 4.833 10 40 GJCB Cc1cc(C(=O)CNC(=O)Nc2ccccc2)c(C)n1-c1ccc(F)c(Cl)c1 12523211 DVXHAIYFOJXQIB-UHFFFAOYSA-N 399.853 4.891 10 40 GJCB CCOC(=O)N1CCC(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 14862417 NCOHMAGXPKDFRX-WCWDXBQESA-N 380.448 4.909 10 40 GJCB Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)C(=O)c2c(C)nn(C)c2C)cc1 58573465 WYVYMQNVMNMGKB-OCOZRVBESA-N 389.459 4.891 10 40 GJCB Cc1ccc(NC(=O)Cn2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)cc1 6811728 VZPGRUGHABBTPN-UHFFFAOYSA-N 396.874 4.773 10 40 GJCB O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1Cc1ccccc1 13839785 WCPRGAHOGBHLPT-XNTDXEJSSA-N 390.327 4.851 10 40 GJCB CCOc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccc(F)cc2)cc1 408763755 QPWNSRUHXORCMO-XSFVSMFZSA-N 376.387 4.652 10 40 GJCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1c(Cl)cccc1Cl 408893125 KRYWTSKXCSDSOR-PTNGSMBKSA-N 394.298 4.999 10 40 GJCB COc1ccccc1/C=C1/N=C(c2cccc(C)c2)N(c2ccc(F)cc2)C1=O 653904 DKNJADYKWIOMMC-RCCKNPSSSA-N 386.426 4.977 10 40 GJCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 1249232 AEHCRNDGDYUIJV-LFIBNONCSA-N 399.233 4.715 10 40 GJCB COc1ccccc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O 1260296 REWPSAYERHOMCG-OVCLIPMQSA-N 379.865 4.894 10 40 GJCB CC[C@]1(C)C[C@@](CCNCc2ccccc2O)(c2ccccc2OC)CCO1 4029022 ZURXJQRDJNACHN-RPWUZVMVSA-N 383.532 4.798 10 40 GJCB biogenic O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)c1ccc(F)cc1F 5059561 VIKFUYRFUSFYOG-UHFFFAOYSA-N 399.378 4.645 10 40 GJCB Cc1ccc(C)c(N2C(=O)/C(=C\c3nc4ccccc4n3C)SC2=S)c1 5235997 HBPWSYDQMDBAHI-GZTJUZNOSA-N 379.510 4.596 10 40 GJCB CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(C)=C2C(=O)OC)cc1 14010493 GPBMEWGGRLPYCP-STZFKDTASA-N 391.467 4.579 10 40 GJCB COc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 218751150 YFBSMINBLPQVAH-GUDVDZBRSA-N 396.531 4.576 10 40 GJCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C 222782171 IGDRGWPZVALXBE-FCHUYYIVSA-N 390.556 4.790 10 40 GJCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(Br)cc1 225423096 VJASKBILWMEOFB-UHFFFAOYSA-N 390.350 4.536 10 40 GJCB CC1CCN(C2=NC(=O)/C(=C/c3ccccc3OCc3ccccc3)S2)CC1 2414689 GMYJZSMPKGLHAM-QNGOZBTKSA-N 392.524 4.968 10 40 GJCB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3)C2=O)cc1 17373735 VEEYPBYKNHELKV-NBVRZTHBSA-N 396.537 4.615 10 40 GJCB COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260742205 UGCZVJHCGSFJTH-DLBZAZTESA-N 383.561 4.979 10 40 GJCB O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1C[C@@H]1CCCO1 2247131 PIOBSHZKAIIUIZ-UZNZLNSGSA-N 397.521 4.859 10 40 GJCB CCOC(=O)c1sc2nc(-c3ccccc3)c3c(c2c1N)CC(C)(C)OC3 2266358 RUBQQPRLKIQSCJ-UHFFFAOYSA-N 382.485 4.574 10 40 GJCB CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1 5336296 JYSDTPDSFJKWTB-QGOAFFKASA-N 385.510 4.890 10 40 GJCB Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 5688711 KXOQURSYRIUBLU-QFIPXVFZSA-N 391.515 4.644 10 40 GJCB CN(C)c1ccc(/C=C2\SC(=O)N(CNc3ccccc3Cl)C2=O)cc1 16186345 KRLKPSUIMBEIFR-BOPFTXTBSA-N 387.892 4.512 10 40 GJCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 225258678 CZWAIRNUCJWETI-GOSISDBHSA-N 376.500 4.770 10 40 GJCB CCN(CC)c1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1 106757403 NSBRSIWKBWINJT-SILNSSARSA-N 396.512 4.648 10 40 GJCB COc1ccc(C2=C/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)O2)cc1 408744537 YKCPZBBUEHOAQP-ATVHPVEESA-N 388.375 4.635 10 40 GJCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O 15011638 AAHCQDKSQKCSCU-QKIOLIMFSA-N 382.466 4.947 10 40 GJCB Cc1ccc(O)c(C2=NN3[C@H](c4ccncc4)Oc4ccc(Cl)cc4[C@H]3C2)c1 102907330 LGNGKURHLYJPQX-KNQAVFIVSA-N 391.858 4.991 10 40 GJCB COc1ccc(/C=C2/SC(Nc3ccc4ccccc4c3)=NC2=O)cc1OC 7276010 DWJJQUAOPZPXFC-UDWIEESQSA-N 390.464 4.939 10 40 GJCB COc1cc(/C=C2/SC(Nc3ccccc3C)=NC2=O)cc(Cl)c1OC 97990658 OMBVPSYOKCGJBO-MHWRWJLKSA-N 388.876 4.748 10 40 GJCB CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 218956660 SWKUXNDLUOOLBK-IBGZPJMESA-N 380.532 4.742 10 40 GJCB CC(C)N1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 409021835 BFWPMNQLISNQCE-OVCLIPMQSA-N 391.832 4.743 10 40 GJCB Cc1cc([C@H]2NN=C(c3ccccc3)S2)c(C)n1-c1cccc([N+](=O)[O-])c1 6962047 QDXDDLXZQSNBSZ-FQEVSTJZSA-N 378.457 4.699 10 40 GJCB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(N2CCCCC2)cc1 20494317 DRZKOZYPOCKCCY-JOCHJYFZSA-N 380.532 4.768 10 40 GJCB CCN(CC)c1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(OC)c1 222604435 CIYDLICFNYSYRJ-JHVJFLLYSA-N 396.560 4.526 10 40 GJCB CCOc1ccccc1/C=C1\C(=O)N([C@@H](C)c2ccccc2)C(C)=C1C(=O)OC 408895924 WKLBKIKCCNZVPV-UKEODDKASA-N 391.467 4.519 10 40 GJCB O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1CCCc1ccccc1 409136081 WSTQCPRNVCMOQL-HEHNFIMWSA-N 392.524 4.956 10 40 GJCB Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](C)c1ccc(F)c(F)c1 1633910008 UOWGVBTXDHDJCX-CQSZACIVSA-N 382.410 4.676 10 40 GJCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 4852916 YQZKOUOSWQKKJB-BXWFABGCSA-N 381.388 4.728 10 40 GJCB O=C1/C(=C\c2ccc(N3CCCC3)c(F)c2)SC(=S)N1c1ccccc1 15013370 LXCINTLRXJCPQS-QGOAFFKASA-N 384.501 4.832 10 40 GJCB CCOc1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 35041410 HQFDKIMVTLXIPJ-XMHGGMMESA-N 399.537 4.538 10 40 GJCB O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)c1ccc(O)c(O)c1 44867308 NXAZIIHBBDGTIP-UHFFFAOYSA-N 388.448 4.683 10 40 GJCB COc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccc(C)cc2)cc1 408757786 CAMCUIMQCVUUCI-PXLXIMEGSA-N 386.426 4.977 10 40 GJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)O)N2 409159355 ZKQRSWXPQQAGFH-FMTVUPSXSA-N 383.831 4.651 10 40 GJCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(F)cc1 5977582 ZCEXGYCFMFXLFP-ZHZULCJRSA-N 387.410 4.856 10 40 GJCB Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1-c1cccc(F)c1 6122249 NYPAVLIJRGNJBZ-UHFFFAOYSA-N 391.402 4.545 10 40 GJCB CC1=NNC(=O)/C1=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 9096131 AZFNWTCSCQAZHO-IUXPMGMMSA-N 384.266 4.886 10 40 GJCB CCOc1ccccc1/C=C1\C(=O)N(c2ccc(Cl)cc2)C(C)=C1C(=O)OC 59435708 AOVPAVMWUIBPMQ-AQTBWJFISA-N 397.858 4.616 10 40 GJCB Cc1cc(N2CCCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222592706 XYVUGQRFUALDNR-ORYQWCPZSA-N 378.545 4.580 10 40 GJCB CCSc1c(C(=O)Nc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O 4419009 QGSPFIUPOBCZLN-UHFFFAOYSA-N 387.460 4.826 10 40 GJCB O=C1c2ccccc2C(=O)C1(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 7499995 MKOWLOYYLPMOAY-UHFFFAOYSA-N 397.352 4.972 10 40 GJCB FC(F)(F)c1ccc(NC(=S)NCCCN2CCCc3ccccc32)cc1 225745990 HGGCEOVWJIQZHF-UHFFFAOYSA-N 393.478 4.835 10 40 GJCB CCCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1OC 4309452 OBNZTNBYQNXPJC-LDADJPATSA-N 384.863 4.944 10 40 GJCB O=C1/C(=C/c2cnc3ccccc3n2)SC(=S)N1c1ccc(Cl)cc1 54361193 NIOWUINGRDOABE-SXGWCWSVSA-N 383.885 4.689 10 40 GJCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1C 101615658 MGDNEMRAFCVGOX-PDGQHHTCSA-N 384.823 4.665 10 40 GJCB O=[N+]([O-])c1ccc(O)c([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)c1 15016298 QBXJFNBAXULQBL-UZLBHIALSA-N 393.424 4.604 10 40 GJCB O=C1N=C(NC2CCCC2)S/C1=C\c1ccccc1OCc1ccccc1 20987512 JVKSBXLYUPYGNQ-ZHZULCJRSA-N 378.497 4.768 10 40 GJCB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 218687272 VUWBEOXGTKCJOT-WOJBJXKFSA-N 380.532 4.876 10 40 GJCB Cc1ccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2ccccc2)cc1 408843474 MYJQTUAXZMRGHF-HMMYKYKNSA-N 383.407 4.738 10 40 GJCB COc1ccc(O)c([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1 15016182 RBUBSYQAYDNEIB-DYESRHJHSA-N 378.453 4.705 10 40 GJCB O=C1O[C@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccc(Oc2cccc3ccccc23)cc1 408671886 UIZVVMRQJYEMSC-ACYMDBPDSA-N 399.446 4.768 10 40 GJCB CCCCN(CCCC)CN1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O 408727089 XCSHMZHGVNUUPV-XDJHFCHBSA-N 389.565 4.649 10 40 GJCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 5372236 XWSIZNHVZFYXQL-ATDKNVPESA-N 395.933 4.654 10 40 GJCB O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3Cl)cc1)C2=O 6337026 RIICTMLXOPRXBP-UHFFFAOYSA-N 393.782 4.631 10 40 GJCB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCCCC3)cc2)S1 222607516 SLVQHVWLHPGQKV-NDXORKPFSA-N 378.545 4.661 10 40 GJCB Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)c1 7378643 FBGJMOYHKFTFCU-UHFFFAOYSA-N 382.847 4.543 10 40 GJCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(OC)ccc1OC)N2 36081221 XJZKDRYTPRLFNU-HYFFOGBASA-N 379.456 4.707 10 40 GJCB CCc1ccccc1N1C(=O)/C(=C\c2cc(OC)ccc2OC)SC1=S 96663597 MKGTUPWRGWFHME-LDADJPATSA-N 385.510 4.672 10 40 GJCB CCCOc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1Cl 408940552 OEIOITGKFMLWRP-SFQUDFHCSA-N 382.847 4.571 10 40 GJCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 4959455 IKLGKAYKRLAFHQ-ZOCZFRKYSA-N 394.427 4.607 10 40 GJCB O=C(OCc1ccc(F)cc1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 7985471 FCJHAIJHWINMOH-UHFFFAOYSA-N 394.785 4.612 10 40 GJCB COc1cc(/C=C2\SC(Nc3ccccc3C)=NC2=O)cc(Cl)c1OC 13041955 OMBVPSYOKCGJBO-YBEGLDIGSA-N 388.876 4.748 10 40 GJCB O=C1N=C(Nc2ccccc2C(F)(F)F)S/C1=C/c1ccc2c(c1)OCO2 33341810 WERXTZJFCWRRHH-OVCLIPMQSA-N 392.358 4.517 10 40 GJCB Cc1ccnc(N[C@@H](c2ccncc2)c2cc(Cl)c3cccnc3c2O)c1 45944566 OKFNGUUHEGVVEI-IBGZPJMESA-N 376.847 4.894 10 40 GJCB COc1ccc2nc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)ccc2c1 51330805 VBCPNPFWTJVVQZ-UNOMPAQXSA-N 392.505 4.645 10 40 GJCB Oc1ccc(Cl)cc1[C@@H](Nc1ccccn1)c1ccc2cccnc2c1O 36245357 NLTGNERBKOJUKG-FQEVSTJZSA-N 377.831 4.896 10 40 GJCB CC(C)c1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 9188836 AEWPHUSIDVEWTC-GRSHGNNSSA-N 397.521 4.940 10 40 GJCB CCOC(=O)c1ccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)cc1 95912907 RMGPQZGEQNZXMS-OAQYLSRUSA-N 399.450 4.714 10 40 GJCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\NC(=O)Nc1cccc2ccccc12 408530631 JJLLIYRPLCIKME-ZHZULCJRSA-N 384.439 4.576 10 40 GJCB CN(C(=O)CSc1ncc(-c2ccccc2)n1C)[C@@H]1CCCc2ccccc21 7131192 KSIHAFFZQIIXJU-HXUWFJFHSA-N 391.540 4.715 10 40 GJCB O[C@]1(c2ccc(C3CCCCC3)cc2)CN(c2ccccc2)C2=[N+]1CCCS2 27526199 NQTNJLRDPRSEDK-DEOSSOPVSA-N 393.576 4.905 10 40 GJCB CCOc1ccc2nc(N/C=C3/C(=O)N(c4ccc(F)cc4)N=C3C)sc2c1 101125461 HTOUWIYKFUDZHI-LFIBNONCSA-N 396.447 4.553 10 40 GJCB COc1ccc2cc(C3=C/C(=C/c4ccc(OC)c(OC)c4)C(=O)O3)ccc2c1 408722612 MEHUFTBJFVFUKK-GRSHGNNSSA-N 388.419 4.847 10 40 GJCB CCCOC(=O)c1c(NC(=O)/C=C/c2ccc(N(C)C)cc2)sc(C)c1C 2331742 KANDQCXIPZFLAS-FMIVXFBMSA-N 386.517 4.650 10 40 GJCB COc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 225317174 TXWANPPXKJRGSZ-MOPGFXCFSA-N 380.532 4.742 10 40 GJCB COc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 227486740 GZAQNVKHLVZTIJ-JTSKRJEESA-N 376.412 4.545 10 40 GJCB CCn1c(C)cc(/C=C2\NC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c1C 409098904 RIFZVEDSEGJJAU-MFOYZWKCSA-N 392.286 4.525 10 40 GJCB O=C1/C(=C\c2ccccc2F)SC(=S)N1c1ccc(Br)cc1 409340518 YLCGOHBQVLCLSF-NTEUORMPSA-N 394.290 4.994 10 40 GJCB COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)c1 1307854 OQXVVTYQVLFEEA-WQRHYEAKSA-N 385.510 4.726 10 40 GJCB O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1c1ccccc1 13476470 RMKBTOVVJDDQBO-GXDHUFHOSA-N 376.300 4.855 10 40 GJCB C/C(NCCc1ccccc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 17077987 WQUSVAVXGGPZKT-NMWGTECJSA-N 381.479 4.544 10 40 GJCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1O[C@H](C)c1ccccc1 41077617 OBCYSJSNSKOGJF-FDIDITGRSA-N 385.510 4.666 10 40 GJCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N(CC)CC)cc3)N21 222644629 VJKXSGDNWXCDNU-DZFGPLHGSA-N 380.561 4.907 10 40 GJCB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(C)cc3)C2=O)cc1 2248561 XUAMXSCSRXPMQU-AQTBWJFISA-N 396.537 4.533 10 40 GJCB CC(=O)c1cccc(N2C(=O)/C(=C\C3=Cc4ccccc4OC3)SC2=S)c1 9419894 FBYRHSGFRGCKOC-VXLYETTFSA-N 393.489 4.614 10 40 GJCB CC1CCN(c2ccc([C@H](C)NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)CC1 217888629 LIHUUICTKJZYPT-QKIXSCASSA-N 393.487 4.722 10 40 GJCB CCOc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2OC)cc1 408845422 WOHUKVWFXYHIRW-HMMYKYKNSA-N 388.423 4.521 10 40 GJCB CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1 409204999 MYMJSAPJXOODBH-BRYHAGSVSA-N 386.542 4.820 10 40 GJCB COc1ccc(-c2c(C)c3ccc(O)c(CN4CCC(C)CC4)c3oc2=O)cc1 4340396 PXXXRXYJIOXEIY-UHFFFAOYSA-N 393.483 4.715 10 40 GJCB biogenic CC(/C=C1\SC(=S)N(c2ccc3c(c2)OCO3)C1=O)=C\c1ccccc1 5033963 NYESGNXPVVCJSO-LDFNIPPCSA-N 381.478 4.767 10 40 GJCB COc1ccc2nc(N/C=C3\C(=O)N(c4ccc(Cl)cc4)N=C3C)sc2c1 100552397 ARKJSAMSHBMGRO-GDNBJRDFSA-N 398.875 4.677 10 40 GJCB COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 226731676 LHCOLEJQIBOSJN-DBXWQHBBSA-N 382.891 4.543 10 40 GJCB O=C(COC(=O)Cc1ccsc1)Nc1ccc(/N=N/c2ccccc2)cc1 6423963 HLOKRRFDJASQTH-GHVJWSGMSA-N 379.441 4.888 10 40 GJCB CCCOc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 6804333 BDLZDNQEUVXWEA-UHFFFAOYSA-N 392.499 4.977 10 40 GJCB COc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3ccccc3O)C[C@H]21 10215849 CRLFOUQLXKEVAO-DYESRHJHSA-N 378.453 4.705 10 40 GJCB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1ccc(Br)cc1 12377621 LLOCEGPRCZVITE-ZROIWOOFSA-N 394.290 4.994 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(F)c1 14406617 SOHBZEABSUFLIM-MOSHPQCFSA-N 379.431 4.710 10 40 GJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(Cl)c1 222739701 MWYNKCDRDOIHCQ-UXHICEINSA-N 396.947 4.745 10 40 GJCB O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccc(F)cc2)N1c1ccc(O)cc1 408760568 AXINAQCVMRWICQ-DEDYPNTBSA-N 376.362 4.505 10 40 GJCB COc1cccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)c1OC 12032493 AWJZIDFMWNNILC-GZTJUZNOSA-N 385.510 4.726 10 40 GJCB CN(C)Cc1c(O)ccc2c(=O)c(-c3cccc(Cl)c3)c(C(F)(F)F)oc12 19791525 NVULHBDKQJNONH-UHFFFAOYSA-N 397.780 4.899 10 40 GJCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1 58865982 DAMYFWNZXRZMFM-UHFFFAOYSA-N 398.842 4.673 10 40 GJCB Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 5688713 KXOQURSYRIUBLU-JOCHJYFZSA-N 391.515 4.644 10 40 GJCB Cc1cc(C)cc(NC2=NC(=O)/C(=C/c3cn(CC#N)c4ccccc34)S2)c1 6266266 ZXNRYSMNBSYUNO-NDENLUEZSA-N 386.480 4.864 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(C)nn(-c2ccccc2)c1Cl 16034622 RUCFJLRLZMUPKK-UYRXBGFRSA-N 376.847 4.640 10 40 GJCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S 20226884 OCLQUEKMJBEMLN-RQZCQDPDSA-N 394.477 4.580 10 40 GJCB Cc1nc(C(C)(C)C)nc2sc(C(=O)NCc3ccc(N(C)C)cc3)c(C)c12 22507115 UUDFZLMWYLWRJE-UHFFFAOYSA-N 396.560 4.602 10 40 GJCB CCn1cc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)c2ccccc21 35127210 YOCIPWUXUNIZFP-UNOMPAQXSA-N 387.439 4.785 10 40 GJCB Cc1ccnc(N[C@H](c2cccnc2)c2cc(Cl)c3cccnc3c2O)c1 45944553 JGAQVXXYNMYEGH-LJQANCHMSA-N 376.847 4.894 10 40 GJCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ncccc1C 103918519 GTWIJTOGEDMOKF-JXAWBTAJSA-N 391.500 4.889 10 40 GJCB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)n1-c1ccccc1 222943357 YDLWQKLMLMVQDW-FGZHOGPDSA-N 390.556 4.809 10 40 GJCB Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2cccc(C)c2)cc1 408761306 DJCDDVIVJXZSIW-FYJGNVAPSA-N 396.446 4.867 10 40 GJCB CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCOC)C3=O)c2C)cc1 409236569 SWCQOVOXPJHSSS-XSFVSMFZSA-N 398.528 4.729 10 40 GJCB COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1O 1416530 UAORIHGLHBYAID-VIZOYTHASA-N 395.864 4.599 10 40 GJCB CCN1C(=O)/C(=C/c2ccc(OCCCOc3ccccc3)cc2)SC1=S 2831937 SEJKEQQZPXJCIR-CYVLTUHYSA-N 399.537 4.756 10 40 GJCB Cc1oc2ccc(O)c(CN3CCC[C@H](C)C3)c2c1C(=O)Nc1ccccc1 5182580 MBMRXFVFSYRHJW-HNNXBMFYSA-N 378.472 4.931 10 40 GJCB CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(OC)c(OC)cc1Cl 100316988 KOFSYAUSJNHBDI-LFIBNONCSA-N 384.863 4.944 10 40 GJCB CC(C)c1ccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc1 1766428 AKLYTCNHRZHZKT-FOWTUZBSSA-N 377.531 4.656 10 40 GJCB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1ccccc1Br 2223311 QSELQWMSLKWIGI-ZROIWOOFSA-N 394.290 4.994 10 40 GJCB CN(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccccc2Cl)cc1 6804319 WIQLGDKYAWBKPH-UHFFFAOYSA-N 398.890 4.607 10 40 GJCB CCCCOc1ccc(/C=C2/SC(=S)N(C(C)(C)C)C2=O)cc1OC 35039094 VKOZNKZQFIQVSW-FOWTUZBSSA-N 379.547 4.874 10 40 GJCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4Cl)c3C)C(=N)N12 103563265 IKWQRXOKJXLFOD-PRZRADHTSA-N 396.903 4.915 10 40 GJCB Cc1ccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2c2ccc(C)cc2)cc1 408752323 DIYJCMQJEQULTN-PXLXIMEGSA-N 396.446 4.836 10 40 GJCB COc1ccc(C2=N/C(=C/c3cccc(OC)c3)C(=O)N2c2cccc(C)c2)cc1 408763226 OKMIZTBTIZYCJB-XQNSMLJCSA-N 398.462 4.847 10 40 GJCB CCc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C(=O)O)c3)C2=O)cc1 5373537 AVMRISGYMYTSAX-YVLHZVERSA-N 383.494 4.661 10 40 GJCB CCOc1ccc(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)cc1OCC 6418642 MOFAMKHTGBLWKF-CPNJWEJPSA-N 382.485 4.875 10 40 GJCB COc1ccccc1NCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 59372392 VFAUWXVEZLKNJZ-YBEGLDIGSA-N 390.917 4.619 10 40 GJCB CCOc1ccccc1NC(=S)NCc1ccc(N2CCC[C@H](C)C2)cc1 260742498 WQQUNJHYBLBWPQ-KRWDZBQOSA-N 383.561 4.808 10 40 GJCB COC(=O)c1ccc(-n2c(C)cc([C@H]3NN=C(c4ccccc4)S3)c2C)cc1 6961584 IHEHZCOZFGFQOE-NRFANRHFSA-N 391.496 4.578 10 40 GJCB CN(CCCCC(=O)O)c1ccc(C2=C(c3ccccc3)OCCS2)cc1 200342813 NZPWDYNDOHPMRC-UHFFFAOYSA-N 383.513 4.967 10 40 GJCB COc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3Br)c2)cc1 216728180 QKPOKKAMKAFCIE-FQEVSTJZSA-N 399.288 4.784 10 40 GJCB Cc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)n1 13899086 NAOYJGDVIZLJLJ-ZROIWOOFSA-N 380.416 4.815 10 40 GJCB O=C1c2ccccc2C(=O)c2c1oc1c3c(ccc21)OCN(C1CCCCC1)C3 54114205 WPGOJOPOVRDLIT-UHFFFAOYSA-N 387.435 4.693 10 40 GJCB biogenic Cc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1-c1ccc(C(C)C)cc1 27807775 SAIBMARHYPMVMR-UHFFFAOYSA-N 388.471 4.639 10 40 GJCB Cc1cccc(NC2=NC(=O)/C(=C\c3csc(-c4ccccn4)n3)S2)c1 40139617 YPNPGPQEKOTDCN-MHWRWJLKSA-N 378.482 4.596 10 40 GJCB CCCN1C(=O)/C(=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)SC1=S 409342352 DMSFIKUCXVIRGA-MHWRWJLKSA-N 387.482 4.564 10 40 GJCB Cc1c(/C=C2/SC(=S)NC2=O)c2ccccc2n1Cc1ccccc1F 409347600 MTWXQVOKXNPLOM-VCHYOVAHSA-N 382.485 4.626 10 40 GJCB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1ccc2c(c1)OCO2)CO3 2113284 ZIFNPLXROABOAM-UHFFFAOYSA-N 399.402 4.545 10 40 GJCB biogenic CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S 5564367 BGDCXIANXLEHAN-UNOMPAQXSA-N 399.537 4.804 10 40 GJCB O=C1/C(=C\c2ccccc2Br)SC(=S)N1c1ccccc1 58821962 FYXSCLZOVIXXMQ-GXDHUFHOSA-N 376.300 4.855 10 40 GJCB CCCCCN/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 5458668 PNOCQQMJWFTPTK-BMRADRMJSA-N 390.512 4.711 10 40 GJCB Cc1cc(N2CCCC2)ccc1/C=C(/Sc1nc2ccccc2o1)C(=O)O 7365560 SQLGRLBGBDGGHY-CPNJWEJPSA-N 380.469 4.954 10 40 GJCB O=C(Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1)c1ccccc1 36356865 RONRKYXORNYQDO-UHFFFAOYSA-N 382.467 4.699 10 40 GJCB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 226695120 GKXXLJVBDKWXLL-BIENJYKASA-N 384.819 4.861 10 40 GJCB Cc1ccc(C2=C/C(=C\c3ccc(I)cc3)C(=O)O2)cc1 408740705 DKVVKXJVSGCCES-XNTDXEJSSA-N 388.204 4.581 10 40 GJCB COc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2ccc(C)cc2)cc1 408762957 MDVHNRHLBIWZCJ-PXLXIMEGSA-N 386.426 4.977 10 40 GJCB CCOc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(C(C)C)C3=O)c2C)cc1 409016509 UUQFAZBCGTVVTF-XDHOZWIPSA-N 384.501 4.938 10 40 GJCB Cn1c(-c2ccc(Br)cc2)cnc1NCc1cc(Cl)ccc1O 4678300 IHOMIQDPAVQEQK-UHFFFAOYSA-N 392.684 4.821 10 40 GJCB O=C1/C(=C/c2ccccc2F)SC(=S)N1Nc1nc2ccccc2s1 9914711 KKMDVZMHFMRZGZ-ZROIWOOFSA-N 387.486 4.664 10 40 GJCB O=C1NC(=S)S/C1=C\c1ccc(-c2ccccc2Br)s1 12778775 YAZSHXFEBSXXMU-GHXNOFRVSA-N 382.329 4.666 10 40 GJCB Cc1ccc(C)c2c(C)c(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)oc12 84147904 NKBAAQADYOEZON-LJQANCHMSA-N 393.483 4.885 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 408767222 FAEPCUAKFSTWNR-STZFKDTASA-N 391.467 4.696 10 40 GJCB O=C(Oc1ccccc1)c1cc2c3c(c1O)[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21 4045279 PPHLXSUAQQATPK-KCITZHQASA-N 385.463 4.764 10 40 GJCB Oc1ccc(Br)cc1[C@H]1CC(c2ccccc2)=N[C@H](c2ccco2)N1 5027372 QXHILNQOTGWIEY-XLIONFOSSA-N 397.272 4.970 10 40 GJCB Cc1ccc(NC2=NC(=O)/C(=C/c3c(C)nn(CC(C)C)c3Cl)S2)cc1 13063206 NAYYNCVHQMGENM-SXGWCWSVSA-N 388.924 4.892 10 40 GJCB CC[C@H](C)Oc1c(Cl)cc(/C=C2\SC(=S)N(CC)C2=O)cc1OC 19723333 LMYXNMVIIFONAT-ADVUTCEVSA-N 385.938 4.747 10 40 GJCB Cc1ccc(N[C@H](c2cccnc2)c2cc(Cl)c3cccnc3c2O)nc1 45944558 YFRCBICCPRGOPZ-LJQANCHMSA-N 376.847 4.894 10 40 GJCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cccc(Br)c1 112122369 WCUQMBWOZSORIS-BOPFTXTBSA-N 388.240 4.697 10 40 GJCB CSc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 113830609 UCKHXBXDAZCDDZ-OQLLNIDSSA-N 388.495 4.723 10 40 GJCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C 222738053 METCNPCYPGEDSP-FGZHOGPDSA-N 390.556 4.654 10 40 GJCB O=C1c2ccccc2C(=O)C1(Nc1ccc(Br)cc1)c1ccccc1 1507223 OCIMNYNPCSWPNN-UHFFFAOYSA-N 392.252 4.836 10 40 GJCB COc1ccc(CCN2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)cc1 5371875 NLXGKEYDKRNZOE-ATVHPVEESA-N 389.929 4.793 10 40 GJCB Cc1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 222829065 CMMNCZAQVSNPCX-UYAOXDASSA-N 380.532 4.796 10 40 GJCB C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3c(F)cccc3F)cc2)C1 225691154 NFJTXEKJACJRDB-CQSZACIVSA-N 375.488 4.688 10 40 GJCB Cc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260577765 LDSCQGDEKDZPBF-DFQSSKMNSA-N 380.532 4.876 10 40 GJCB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 4541614 KNDDRNXUNNEPKB-UHFFFAOYSA-N 376.456 4.506 10 40 GJCB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(N2CCCCC2)cc1 20494321 DRZKOZYPOCKCCY-QFIPXVFZSA-N 380.532 4.768 10 40 GJCB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)c1 225350809 YDEXMIXONRVJOZ-LJQANCHMSA-N 380.532 4.802 10 40 GJCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1c(C)nn(-c2ccc(C)cc2)c1C 408755314 DGYZVHFAIWYQTH-OEAKJJBVSA-N 384.483 4.912 10 40 GJCB COc1ccc(O)c([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)c1 1007323 RBUBSYQAYDNEIB-UTKZUKDTSA-N 378.453 4.705 10 40 GJCB Cc1cc(C(=O)OCC(=O)Nc2ccccc2Cl)c(C)n1-c1ccccc1 3250499 XOYBWCDOUMEUJZ-UHFFFAOYSA-N 382.847 4.543 10 40 GJCB CC(=C/c1ccccc1)/C=C1\SC(=S)N([C@@H](C(=O)O)c2ccccc2)C1=O 4128589 BPNJKEMCBOUUAM-SNMXRTMYSA-N 395.505 4.660 10 40 GJCB COc1cccc(/C=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)c1OC 5371346 LCLDKINKLBLBBU-BOPFTXTBSA-N 385.510 4.726 10 40 GJCB CCOC(=O)C(=O)Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 408973489 BDSMTXPMKPSKIR-UHFFFAOYSA-N 396.402 4.558 10 40 GJCB Cc1ccc(C(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)c(C)c1 5059562 GNJUGHBAXUJSLC-UHFFFAOYSA-N 391.452 4.983 10 40 GJCB CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S 5374231 BKCVHGHFSNVAFN-URDFHWNXSA-N 377.531 4.511 10 40 GJCB CC(C)c1ccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1 35648789 DZEIEQUCQBEVQD-RQZCQDPDSA-N 399.493 4.620 10 40 GJCB CC(=C/c1sc2cc(O)ccc2[n+]1C)/C=C1/Sc2cc(O)ccc2N1C 685944651 YUFIBQLXUVIOFC-UHFFFAOYSA-O 383.518 4.624 10 40 GJCB O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 12374668 JECRXPLYQIXZIH-ZROIWOOFSA-N 376.846 4.654 10 40 GJCB COc1ccccc1/C=C/C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260467417 UKXSKKANGZSLHG-MVVBNGQASA-N 378.516 4.822 10 40 GJCB O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)c(Cl)c1)C2=O 991654 YNTKLWOJOPLUCU-UHFFFAOYSA-N 393.782 4.631 10 40 GJCB Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21 13759109 AEHCYMYDFKGERP-UYRXBGFRSA-N 378.522 4.622 10 40 GJCB O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 4183003 JECRXPLYQIXZIH-NTEUORMPSA-N 376.846 4.654 10 40 GJCB COc1ccc(NC2=NC(=O)/C(=C/c3cccc4ccccc34)S2)c(OC)c1 5520335 MYKNUYQJXWOCDZ-NDENLUEZSA-N 390.464 4.939 10 40 GJCB CCN(CC)Cn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21 20192885 FCUUYGVRSFHRPA-PXLXIMEGSA-N 386.499 4.747 10 40 GJCB CC(C)CC1=NN2C(=N)/C(=C/c3ccc(-c4ccccc4)o3)C(=O)N=C2S1 33149736 OWEOAYZPRJPYBP-HXBSJJRASA-N 378.457 4.612 10 40 GJCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1cccc(OC)c1 5465384 DLVHHPRBAUDREF-QNGOZBTKSA-N 399.446 4.726 10 40 GJCB Cc1ccc(-n2c(C)cc(CN(Cc3ccc(C)s3)C[C@@H](C)O)c2C)nc1 19216209 XEMZNMCKJIQTBB-QGZVFWFLSA-N 383.561 4.550 10 40 GJCB O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1CN1CCCCC1 34848107 FOFAWUMWSPMXIU-RIYZIHGNSA-N 387.357 4.638 10 40 GJCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(OCC)cc1 103918949 IIFNAVDMZHDMPP-JWGURIENSA-N 393.487 4.983 10 40 GJCB CCN(CC)c1ccc(CNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 225571335 BJMYJKCDXOYAEC-HXUWFJFHSA-N 393.575 4.695 10 40 GJCB O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(Br)o1 408742973 QWHBITPFXXGYAS-JXMROGBWSA-N 396.034 4.786 10 40 GJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)N=C2c2ccccc2)cc1 5511858 VTTWUXUVMLICHF-HAVVHWLPSA-N 398.462 4.928 10 40 GJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OC 7165969 QEFUYMCZZYSXBJ-PDGQHHTCSA-N 385.510 4.808 10 40 GJCB O=C(CCCOc1ccc(Cl)cc1)NCc1ccc(N2CCCCC2)cc1 13670971 DVFLSJMQPPNENY-UHFFFAOYSA-N 386.923 4.806 10 40 GJCB Cc1ccc([S@@](C)(=O)=Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 36559038 KVLLQUPYHFLHFX-HHHXNRCGSA-N 375.449 4.559 10 40 GJCB O=C1N=C(Nc2cccc(C(F)(F)F)c2)S/C1=C/c1cccc([N+](=O)[O-])c1 8418433 DHUKZAQXRXULKQ-RIYZIHGNSA-N 393.346 4.696 10 40 GJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(Br)cc1 13575654 WDSSBYFCANCORA-WQRHYEAKSA-N 384.277 4.784 10 40 GJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1ccc(F)cc1 103917519 SBABFGKARBSJSZ-QNGOZBTKSA-N 383.442 4.574 10 40 GJCB O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1ccccc1F 409326424 BNJIQYLBPFGCSZ-RIYZIHGNSA-N 394.836 4.793 10 40 GJCB CC[C@H](c1ccc(CN(C)C)c(O)c1)[C@@H](CC)c1ccc(CN(C)C)c(O)c1 1607577 XAEVFZKBFMVECB-SZPZYZBQSA-N 384.564 4.908 10 40 GJCB CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C4CC4)o3)c2C)cc1 7289755 MXLNTCYTYWDUFO-UHFFFAOYSA-N 397.500 4.728 10 40 GJCB O=C1NC(=S)S/C1=C/c1ccc(OCc2c(F)cccc2Cl)cc1 1162357 PYVHRYFBZIPDHO-OVCLIPMQSA-N 379.865 4.547 10 40 GJCB COc1ccc(C2(Nc3ccc(F)cc3C)C(=O)c3ccccc3C2=O)cc1 7003038 XDNMCNONAKTGAA-UHFFFAOYSA-N 375.399 4.529 10 40 GJCB CCCCCOC(=O)CCCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S 12032423 YJLGZMOACHUDRB-SAPNQHFASA-N 391.558 4.710 10 40 GJCB CC[C@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(O)c(CN2CCOCC2)c1 31923566 CJCLOJYYXSFFKS-PKTZIBPZSA-N 383.532 4.920 10 40 GJCB Cc1ccc(-c2cnc(SCC(=O)N3CCCC3)n2Cc2ccccc2)cc1 44086312 IWKJGLBVFGTBRM-UHFFFAOYSA-N 391.540 4.621 10 40 GJCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(OC)cc1OC 112120064 FOFGNJLRSCFXKJ-QNGOZBTKSA-N 379.460 4.593 10 40 GJCB Cc1c([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc(N2CCCC2)c1C 222594630 UQAIIJIHOZQLHK-UZQPLGKSSA-N 392.572 4.888 10 40 GJCB FC(F)(F)c1cccc(NC(=S)NCCCN2CCCc3ccccc32)c1 225745254 XOUQCCYCEYUXSL-UHFFFAOYSA-N 393.478 4.835 10 40 GJCB CCN(CCNC(=S)Nc1cccc(Br)c1)c1ccc(C)cc1 225792614 URCYWPLCMPYAMN-UHFFFAOYSA-N 392.366 4.570 10 40 GJCB Fc1ccc(-c2ccc(C(=S)N3CCN(c4ccc(F)cc4)CC3)o2)cc1 2396694 ZSWZXPNSZLYAJO-UHFFFAOYSA-N 384.451 4.723 10 40 GJCB O=[N+]([O-])c1ccc(O)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 15016296 QBXJFNBAXULQBL-JXFKEZNVSA-N 393.424 4.604 10 40 GJCB CC1=CC(C)(C)N2C(=O)/C(=C3\C(=O)N(c4ccccc4)N=C3C)c3cc(C)cc1c32 31989415 HGANRZUBCQNSMF-MRCUWXFGSA-N 397.478 4.713 10 40 GJCB CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)C1=O 409072246 JLQBDGMLLOVGFQ-XDHOZWIPSA-N 377.469 4.699 10 40 GJCB Oc1c([C@@H](c2ccccc2Br)N2CCCC2)ccc2cccnc12 4190071 SIGYUTQWOLIIOK-LJQANCHMSA-N 383.289 4.888 10 40 GJCB Cc1ccc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1 33671615 LVNRNRZXLAFABB-DTRPCSQLSA-N 380.517 4.975 10 40 GJCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 409157103 UHCUSHJHMZRCCU-VKJFTORMSA-N 384.819 4.861 10 40 GJCB O=[N+]([O-])c1cccc([C@H](Nc2nccs2)c2ccc3cccnc3c2O)c1 1463221 SBJMCERUBAHADF-INIZCTEOSA-N 378.413 4.507 10 40 GJCB O=S(=O)(O)c1ccc2c(/N=N/c3cccc4cccnc34)c(O)ccc2c1 4610914 ADWZNXCIGXOWIC-QURGRASLSA-N 379.397 4.756 10 40 GJCB COc1cccc(C(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1 7141129 HXQYNICLLGVLSC-OCOZRVBESA-N 389.411 4.906 10 40 GJCB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)Cc3ccccc3O)cc2)o1 42116964 AEHMVQCRIAVRTF-UHFFFAOYSA-N 399.450 4.690 10 40 GJCB COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 225665185 QCWDZABRYARCCW-MRXNPFEDSA-N 397.544 4.511 10 40 GJCB COc1ccc2nc(N/C=C3\C(=O)N(c4ccc(C)cc4C)N=C3C)sc2c1 100552386 KPMGUMPUHSNAOM-WJDWOHSUSA-N 392.484 4.640 10 40 GJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(Cl)c([N+](=O)[O-])c1 100931015 DHADNNKGUKOTTE-NTEUORMPSA-N 391.214 4.620 10 40 GJCB N=C1NC(=O)/C(=C/c2cc(/N=N/c3cccc(C(F)(F)F)c3)ccc2O)S1 408727103 XEJYPSXKTOPUNQ-LLGVQSGLSA-N 392.362 4.965 10 40 GJCB Cc1ccc(N2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)cc1C(=O)O 5373393 IKVIAICUHYXVET-NVNXTCNLSA-N 389.885 4.752 10 40 GJCB Cc1ccc(N2CCN(C(=S)c3ccc(-c4ccc(F)cc4)o3)CC2)cc1 8845887 WOGXMJGKPYCEEI-UHFFFAOYSA-N 380.488 4.892 10 40 GJCB COc1ccc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1 34798751 XOJHLMWXKGQLKK-DTRPCSQLSA-N 396.516 4.675 10 40 GJCB CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1 200823453 CXBOQNIQXLVRFZ-JXAWBTAJSA-N 387.405 4.881 10 40 GJCB CC1CCN(c2ccc([C@@H](C)NC(=O)CCCOc3ccccc3)cc2)CC1 218726502 IASHJVBLCQZHBE-HXUWFJFHSA-N 380.532 4.959 10 40 GJCB COc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 225317211 TXWANPPXKJRGSZ-RTBURBONSA-N 380.532 4.742 10 40 GJCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)c(C)c3)N21 260762637 GXQQBLYHASZPFY-QIJUGHKUSA-N 392.572 4.970 10 40 GJCB Cc1cc([C@H]2NC[C@@H](C(=O)O)S2)c(C)n1-c1ccc(-c2ccccc2)cc1 408977841 KEDYCBQSZLRFBX-SFTDATJTSA-N 378.497 4.549 10 40 GJCB O=C1/C(=C/c2ccc(O)c(Br)c2)SC(=S)N1C1CCCCC1 28963753 QMDIIDOWJOBYOR-ZROIWOOFSA-N 398.347 4.689 10 40 GJCB CC[C@@H](NC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12)c1ccccc1O 89947921 MEQMWELRMVFZED-MRXNPFEDSA-N 379.460 4.810 10 40 GJCB Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)c1 222744310 WOYCRHPAYNOLON-YADHBBJMSA-N 390.556 4.708 10 40 GJCB COc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F 408969201 JBBXXJSMTKSOTO-UVTDQMKNSA-N 380.753 4.697 10 40 GJCB CCCN1C(=O)/C(=C/c2cc(Cl)c(OCC)c(OCC)c2)SC1=S 409340492 YAFTYJRBBCJDTL-UVTDQMKNSA-N 385.938 4.749 10 40 GJCB O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCC1 4575042 JXOIIPFRFQUXMS-IPJJNNNSSA-N 389.455 4.657 10 40 GJCB CCCCCOC(=O)CN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 5371011 ZGJLAIIUBXXRKR-GXDIDPINSA-N 389.542 4.568 10 40 GJCB COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3C)o2)cc1 5954266 JKSRJVRVXITWKU-XSFVSMFZSA-N 386.407 4.539 10 40 GJCB COc1ccccc1-c1coc2c(CN3CCCC[C@@H]3C)c(O)ccc2c1=O 19790387 ACICCXCUFOEWRG-HNNXBMFYSA-N 379.456 4.549 10 40 GJCB biogenic CC[C@@H](c1ccc(CN(C)C)c(O)c1)[C@@H](CC)c1ccc(CN(C)C)c(O)c1 1607576 XAEVFZKBFMVECB-VXKWHMMOSA-N 384.564 4.908 10 40 GJCB CCOc1ccccc1N/C=C1\SC(=S)N([C@H](C)c2ccccc2)C1=O 5021795 VNSAUSPJGMFITB-VVTMIQRTSA-N 384.526 4.960 10 40 GJCB Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1nc2ccc(F)cc2s1 7130219 WEODWWHLOLLOHA-UHFFFAOYSA-N 398.488 4.567 10 40 GJCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=O)NC2=S)cc1 12414283 MJGRXGYXUCMZLH-BOPFTXTBSA-N 393.493 4.673 10 40 GJCB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(N2CCCCC2)cc1 13672022 RSOWNKNEYVLKOF-UHFFFAOYSA-N 377.532 4.597 10 40 GJCB Cc1cc(C(=O)CSc2nccc(C(F)(F)F)n2)c(C)n1-c1ccccc1 22614362 VRTQUJVRBKLJIU-UHFFFAOYSA-N 391.418 4.878 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(SC)cc1 408998902 JIKXMDSJDJYURX-PDGQHHTCSA-N 399.899 4.939 10 40 GJCB CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 409093078 XDKVRNIODIYGJS-VUFYJBQKSA-N 399.537 4.619 10 40 GJCB O=C1/C(=C\c2cc(Br)ccc2O)SC(=S)N1c1ccccc1 4661929 PUYRVUPSCDIUAE-NTEUORMPSA-N 392.299 4.561 10 40 GJCB COc1cc(/C=C2\SC(Nc3ccccc3C)=NC2=O)ccc1OC(F)F 7165873 VSAWBTZNKJXCNK-YBEGLDIGSA-N 390.411 4.687 10 40 GJCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 10962357 PPJDKVCMQOQBPF-UHFFFAOYSA-N 387.867 4.511 10 40 GJCB O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(N2CCCC2)cc1 225373042 ZLSSQDMSWQTEQY-UHFFFAOYSA-N 377.315 4.843 10 40 GJCB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 218972916 QYHDTIDSPIUPFO-UXHICEINSA-N 380.532 4.876 10 40 GJCB COc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C 6781026 YCDQKXYGXXMFRB-UHFFFAOYSA-N 382.847 4.578 10 40 GJCB Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(N3CCOCC3)cc2)cc1 12569538 NSMOXDZDDAVNEX-DEOSSOPVSA-N 399.494 4.603 10 40 GJCB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1 13775125 YWSSMSCCTHQXCJ-PDGQHHTCSA-N 391.521 4.679 10 40 GJCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O 409225233 KCBMRDJGVDLODN-DEDYPNTBSA-N 398.528 4.784 10 40 GJCB COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2c2ccccc2)ccc1O 5751392 CNIPFSKLGCVIOF-ZHZULCJRSA-N 384.435 4.544 10 40 GJCB Cc1cc(C(=O)[C@@H](C)OC(=O)/C=C/c2cccs2)c(C)n1-c1ccccc1 32876703 OQEXUSWZGFSFFB-FMQWLBJXSA-N 379.481 4.983 10 40 GJCB Cc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219289115 LDSCQGDEKDZPBF-HOJAQTOUSA-N 380.532 4.876 10 40 GJCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C/Nc1c(C)nn(-c2ccccc2)c1C 408756133 HTWRJQCGJSRRCA-KGENOOAVSA-N 385.471 4.516 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)N=C2c2cccc(C)c2)cc1 408765437 PPGRFRTZLGYAHP-XQNSMLJCSA-N 398.462 4.847 10 40 GJCB COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccccc3)C2=O)cc1 39132427 FIZPIBBGXYVWMD-LTGZKZEYSA-N 384.435 4.538 10 40 GJCB Nc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3F)o2)cc1 227157885 VQYYFSFJVKICGT-UHFFFAOYSA-N 375.197 4.683 10 40 GJCB CC(=O)N(CC[C@H](c1ccccc1)c1ccco1)Cc1ccc(N(C)C)cc1 1243348 URUHSCWNIJRGSB-HSZRJFAPSA-N 376.500 4.916 10 40 GJCB COc1cc2c(cc1NCC(=O)Nc1ccc(F)cc1F)oc1ccccc12 11619207 AEAMYFORCZHWOC-UHFFFAOYSA-N 382.366 4.923 10 40 GJCB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N2CCCCC2)cc1 20040470 ISELJTDIHDIAOP-FQEVSTJZSA-N 386.923 4.804 10 40 GJCB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 222866093 KDLMNJRJHNKZQW-MSYCTHLASA-N 380.532 4.958 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)c(C)c2)c1C 408757965 SSEZAUBVMCVSPL-UCQKPKSFSA-N 384.483 4.912 10 40 GJCB Cc1cccc2c(C=C3C(=O)OC4(CCCC4)OC3=O)c(-c3ccccc3)[nH]c12 408765956 BZVXHVLPGGWSNA-UHFFFAOYSA-N 387.435 4.897 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(Cl)c1 408973914 CPPHSXCIWJXYMF-UYRXBGFRSA-N 381.859 4.916 10 40 GJCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(Cl)c1 971232 XWPAVFSXCWNDDE-ZSOIEALJSA-N 376.846 4.654 10 40 GJCB CC(=C/c1ccccc1)/C=C1\SC(=S)N(c2ccc3c(c2)OCO3)C1=O 1246410 NYESGNXPVVCJSO-MVZMPPLNSA-N 381.478 4.767 10 40 GJCB C[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(N2CCCCC2)cc1 225703126 SINHALCXTALCRX-HXUWFJFHSA-N 392.543 4.603 10 40 GJCB CCCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 408935223 CGWOWPYMRYVLFM-GZTJUZNOSA-N 384.863 4.944 10 40 GJCB CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S 2305096 MRIYSLASVGWKTK-GPLLRDDGSA-N 379.547 4.818 10 40 GJCB COc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C 6781013 XOIOWCIFNNJOQR-UHFFFAOYSA-N 376.456 4.541 10 40 GJCB COc1ccc(/N=N\c2ccc(N)cc2N)cc1/N=N\c1ccc(N)cc1N 104213484 GYSUSQZGUOGDNB-OUYNTLDRSA-N 376.424 4.855 10 40 GJCB COc1cccc2c1O[C@H](c1ccco1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 227486827 NMKZSRFCGHBDPK-HRAATJIYSA-N 396.830 4.890 10 40 GJCB COC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCCCCCCCC2 3634380 PZPMHVFORHISPX-UHFFFAOYSA-N 395.521 4.557 10 40 GJCB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 6003062 XSIKBOMHNMQCFX-HPUUJOOBSA-N 388.470 4.855 10 40 GJCB CCOc1cc(/C=C2/SC(Nc3ccc(C)cc3C)=NC2=O)ccc1OC 6418478 LFQMYGYEIFPLQT-XDHOZWIPSA-N 382.485 4.793 10 40 GJCB CSc1ccc(C[C@H]2SC(=S)N(CCCc3ccccc3)C2=O)cc1 8169619 JBFWVXUJEHSCMH-GOSISDBHSA-N 387.595 4.813 10 40 GJCB Cc1cc(C(=O)Nc2cccc(C(N)=O)c2)c(C)n1-c1ccc(C(C)C)cc1 12610337 UOHWWRBPDBGAHG-UHFFFAOYSA-N 375.472 4.569 10 40 GJCB COc1ccc(C2=N/C(=C/c3ccco3)C(=O)N2c2ccc(Cl)cc2)cc1 408762238 NUTGOWJVUCQAJW-CPNJWEJPSA-N 378.815 4.776 10 40 GJCB CC(C)(C)c1nc(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)no1 28016116 RIJYHYSLHPBVAB-INIZCTEOSA-N 398.532 4.702 10 40 GJCB Cc1cc(N2CCCC2)c(C)cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222594367 NLIQHNLRUFOJIW-BULFRSBZSA-N 392.572 4.888 10 40 GJCB CC(C)Oc1cccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)c1 225418171 JSJXFYBUZQSFFT-UHFFFAOYSA-N 383.561 4.951 10 40 GJCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccnc2)cc1 408790935 ULVTXPFEFZVEBB-CPNJWEJPSA-N 383.407 4.770 10 40 GJCB CCOc1ccccc1/C=C1\C(=O)N(c2cc(C)cc(C)c2)C(C)=C1C(=O)OC 409021541 MRCHNNJPIRNKMO-ZHZULCJRSA-N 391.467 4.579 10 40 GJCB O=c1cc(-c2ccccc2)c2cc(Cl)c(O)c(CNCc3cccnc3)c2o1 20573138 YXRGWKRAOLSITC-UHFFFAOYSA-N 392.842 4.504 10 40 GJCB CN(C)c1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 33337920 RCBOKPOORZUGGT-YVLHZVERSA-N 390.867 4.782 10 40 GJCB O=C(Nc1c(Cl)cc2c(c1Cl)C(=O)c1ccccc1C2=O)c1ccco1 4954388 QKKRICPFGLIDTD-UHFFFAOYSA-N 386.190 4.614 10 40 GJCB Cc1oc2ccc(O)c(CN3CCCC[C@H]3C)c2c1C(=O)NC1CCCCC1 6811154 HEGOQCHHMDGGSG-OAHLLOKOSA-N 384.520 4.884 10 40 GJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1O 13564000 RQJRUCSIJZKCQC-WQRHYEAKSA-N 385.510 4.814 10 40 GJCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]32)cc1 15231398 PMASITAHIREIJM-LBTNJELSSA-N 384.819 4.861 10 40 GJCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCCC(C)C 17123328 IKRYVQLLASDSJA-ZHZULCJRSA-N 378.472 4.926 10 40 GJCB CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)N1CCc2ccccc21 44085637 DZAFOMOJZPJKQX-UHFFFAOYSA-N 377.513 4.560 10 40 GJCB Cc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)n1C1CCCC1 409140167 FKFNMCTWBKHPDE-LVSMMTLPSA-N 390.574 4.600 10 40 GJCB O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 6473703 ZAENKOXOWVUOOH-PDGQHHTCSA-N 391.408 4.937 10 40 GJCB CCOc1ccc(NC(=O)C(=O)c2cc(C)n(-c3cccc(C)c3C)c2C)cc1 6781028 DBIMOJRQHONLAR-UHFFFAOYSA-N 390.483 4.931 10 40 GJCB CN(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Cl)cc2)cc1 6804314 LECBBXJJKHPJFR-UHFFFAOYSA-N 398.890 4.607 10 40 GJCB Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cccc(NC(=O)C2CC2)c1 40156505 NQVIPVOSWVNOFW-UHFFFAOYSA-N 379.485 4.756 10 40 GJCB COc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)cc1 408900991 BHMXRRPMAWFNMU-HZHRSRAPSA-N 385.467 4.909 10 40 GJCB CC[C@]1(C)C[C@](CCNCc2ccccc2O)(c2ccccc2OC)CCO1 4029024 ZURXJQRDJNACHN-DNQXCXABSA-N 383.532 4.798 10 40 GJCB biogenic CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4839122 MQVFWDVZNVKKRE-MOSHPQCFSA-N 387.395 4.969 10 40 GJCB CCOc1cc(/C=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)ccc1O 5372080 ZARXSHGHMCNINB-WQRHYEAKSA-N 385.510 4.814 10 40 GJCB COc1ccc(OC)c(/C=C2/SC(Nc3ccc4ccccc4c3)=NC2=O)c1 7275071 GKIGBHMQAOPVPC-DEDYPNTBSA-N 390.464 4.939 10 40 GJCB CO[C@@H](C(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O)c1ccccc1 9260535 KFMAHVOPBGDRGX-WIYYLYMNSA-N 392.480 4.519 10 40 GJCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc4n3CCCCC4)c2C)cc1 9864720 NHRFZVIMCGQSCU-UHFFFAOYSA-N 394.544 4.695 10 40 GJCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(Cl)c1 59959128 FOSZEQOXJZHNFQ-YVLHZVERSA-N 388.250 4.871 10 40 GJCB CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C\C=C\c1ccc([N+](=O)[O-])cc1 100075059 ZVLRRPQGJPIJSP-LNSWPOPZSA-N 375.428 4.983 10 40 GJCB O=C(NCc1ccc(N2CCCCC2)cc1)[C@H](c1ccccc1)N1CCCCC1 141590767 CAYXJZRDGGXIAA-DEOSSOPVSA-N 391.559 4.520 10 40 GJCB CCOc1cccc2c1O[C@H](c1ccco1)N1N=C(c3ccccc3O)C[C@@H]21 227486705 JRAKMLXXLKDSLP-HTAPYJJXSA-N 376.412 4.626 10 40 GJCB Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4C)o3)C2=O)cc1 6029923 LTLJLRJEDUOFFX-PDGQHHTCSA-N 392.842 4.678 10 40 GJCB O=C1/C(=C/c2ccnc3ccccc23)SC(=S)N1CCc1ccccc1 9423244 DENGBXPCSKBWJE-RGEXLXHISA-N 376.506 4.679 10 40 GJCB CC(/C=C1\SC(=S)N([C@@H](C(=O)O)c2ccccc2)C1=O)=C\c1ccccc1 12342794 BPNJKEMCBOUUAM-HMJQVKMSSA-N 395.505 4.660 10 40 GJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=S)N=C3O)c2C)c1 33316947 CBFXFFWSPHQLJU-YBEGLDIGSA-N 386.498 4.600 10 40 GJCB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(N2CCCCC2)cc1 222966177 DDAHXEHTTCLWNB-JOCHJYFZSA-N 380.532 4.768 10 40 GJCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccccc1OC 6050335 ODFBENPVRCMWTN-HKWRFOASSA-N 399.446 4.726 10 40 GJCB CCN1C(=O)/C(=C2/Sc3ccccc3N2C2CCCCC2)SC1=S 100071420 FVJMRMOWCONHFZ-ICFOKQHNSA-N 376.572 4.981 10 40 GJCB O=C1S/C(=C/c2ccc(O)c(O)c2)C(=O)N1Cc1ccc(Cl)cc1Cl 210264780 HFULGZYUHXQQRR-GIDUJCDVSA-N 396.251 4.641 10 40 GJCB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(N3CCCCC3)c(F)c2)S1 260769181 KLPIOOAPLGQPGF-GQWLDOHISA-N 396.535 4.800 10 40 GJCB Cc1ccc(-c2nc(NCc3ccc(N(C)C)cc3)n(C(=O)CC(C)C)n2)cc1 4739681 SSQOBKBCSKVGPI-UHFFFAOYSA-N 391.519 4.618 10 40 GJCB CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S 5174167 FDHUCMYSCXQQRP-YBEGLDIGSA-N 375.902 4.750 10 40 GJCB COc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(Br)cc3)c2)cc1 216727261 BMBYCFMNZJQDEF-FQEVSTJZSA-N 399.288 4.784 10 40 GJCB O=C1/C(=C\c2ccccc2F)SC(=S)N1CNc1ccccc1Cl 408822694 SDAOBUNTGQKBBF-OQLLNIDSSA-N 378.881 4.750 10 40 GJCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccs1 409017645 GJNMSIOVJXLNHZ-DHDCSXOGSA-N 394.279 4.932 10 40 GJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)SC1=S 1207297 FAABGFLXHVEGKO-YBEGLDIGSA-N 376.934 4.969 10 40 GJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(Cl)cc1[N+](=O)[O-] 100535530 AEEDXFZQPFBBDE-MHWRWJLKSA-N 384.823 4.584 10 40 GJCB Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1[N+](=O)[O-] 218131451 SRQYDZNMFIGXKS-KRWDZBQOSA-N 381.476 4.631 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 13549382 LZKIDXBPFIUPBU-UYRXBGFRSA-N 381.859 4.916 10 40 GJCB COc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260905936 TXWANPPXKJRGSZ-RBUKOAKNSA-N 380.532 4.742 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccccc2OC)cc1 408846452 SLMMQQXSVNQTSV-CJLVFECKSA-N 398.462 4.847 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3c(C)n(C)c4ccccc34)SC2=S)cc1 409340249 SUSJQYDISPPXAE-XDHOZWIPSA-N 394.521 4.901 10 40 GJCB CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 1188725 TVVGIGBBMVVMSQ-RGEXLXHISA-N 398.553 4.947 10 40 GJCB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2S1 20037295 XDSMXLWCOMPTBA-VFTZQNCVSA-N 390.512 4.878 10 40 GJCB COc1ccc(/N=N/[C@H]2C(=O)N(c3ccccc3)N=C2Nc2ccccc2)cc1 102151889 ISUQFWQYQRWIEV-NZXNHFJFSA-N 385.427 4.620 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2cccc(C)c2)cc1 408756019 XEJVMFGAAZPQLI-PXLXIMEGSA-N 386.426 4.977 10 40 GJCB Cc1cccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1C 6865946 MBIMHYSHUGPQMQ-UHFFFAOYSA-N 376.456 4.506 10 40 GJCB COc1cccc([C@H](CNCc2ccc(N3CCCCC3)cc2)N2CCCC2)c1 24981567 SQEJPDILVKJNNM-VWLOTQADSA-N 393.575 4.612 10 40 GJCB COc1ccccc1C1=N/C(=C/c2ccc(C)cc2)C(=O)N1c1ccc(F)cc1 408844736 USPHNLYLBLEKME-RCCKNPSSSA-N 386.426 4.977 10 40 GJCB COc1cc2c(cc1NCC(=O)Nc1c(F)cccc1F)oc1ccccc12 11619217 RBSPZWGXSDRDLY-UHFFFAOYSA-N 382.366 4.923 10 40 GJCB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCCCC3)cc2)S1 222607443 SLVQHVWLHPGQKV-CZAAIQMYSA-N 378.545 4.661 10 40 GJCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3cccc4ccccc34)S2)cc1 5520322 BQBGRRHBVDOERV-MOSHPQCFSA-N 387.464 4.881 10 40 GJCB Cc1cccc(COc2ccc(Cl)cc2/C=C2\SC(=S)NC2=O)c1 13897355 INEDAYNQACDDNW-SXGWCWSVSA-N 375.902 4.716 10 40 GJCB COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc(Cl)c1O 206062077 XXZFIBXGXCPJKV-OQLLNIDSSA-N 391.901 4.768 10 40 GJCB COc1ccccc1/C=C1/SC(Nc2ccc(Br)cc2)=NC1=O 2260304 IPAHYIFOKCTGIF-XNTDXEJSSA-N 389.274 4.540 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2cccc(C(=O)O)c2)c1C 4688411 XLSQSVOWGDVYQT-HYARGMPZSA-N 399.450 4.598 10 40 GJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccccc1Br 101350645 FKPSYRUYZUUUNZ-WJDWOHSUSA-N 384.277 4.784 10 40 GJCB Cc1c(Cl)cccc1NC(=S)N(Cc1ccccc1O)C[C@@H]1CCCO1 13071624 SROAXYQODGMHRU-INIZCTEOSA-N 390.936 4.732 10 40 GJCB O=C(c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21)N1CCCC1 13382214 YVXGPJAHJFSSKT-LVCYWYKZSA-N 389.455 4.657 10 40 GJCB O=C1/C(=C\c2ccccc2F)N=C(c2ccc(F)cc2)N1c1ccc(F)cc1 408765039 YWPHLJYQVYSDPL-DEDYPNTBSA-N 378.353 4.938 10 40 GJCB CCCCCOc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1OC 2304073 ADCDFYWQFOWIKA-XDJHFCHBSA-N 388.533 4.720 10 40 GJCB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 5374288 AUIOBBVVLDGCNX-IDSRADLQSA-N 395.933 4.510 10 40 GJCB N=C1/C(=C\c2ccc(F)cc2)C(=O)N=C2SC(CCC3CCCCC3)=NN12 33675973 MOFWLZZUJXZQKM-ISFDWQSPSA-N 384.480 4.805 10 40 GJCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1c(C)nn(-c2ccccc2)c1C 408757894 RWFZPVHYYCUWLS-KGENOOAVSA-N 385.471 4.516 10 40 GJCB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1 4541580 RYMZXOIZKSAVLG-UHFFFAOYSA-N 396.874 4.851 10 40 GJCB O=S(=O)(O)c1cc(Cl)cc(/N=N/c2c(O)ccc3ccccc23)c1O 6118202 RCGWGIMRUCLVQX-VHEBQXMUSA-N 378.793 4.567 10 40 GJCB COc1cccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(F)cc3)C2=O)c1 408758822 SAFZULWDKXWSAU-PXLXIMEGSA-N 386.426 4.977 10 40 GJCB COc1cccc(/C=C2/N=C(c3ccccc3OC)N(c3ccccc3)C2=O)c1 408849010 YJBACNVDBLCLFH-LTGZKZEYSA-N 384.435 4.538 10 40 GJCB COC(=O)[C@@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1ccccc1 4747474 UCSJYNIIHDEMJW-QHCPKHFHSA-N 386.403 4.753 10 40 GJCB biogenic COc1cc(Cl)cc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)c1O 6930574 HRYHDIHPHFYPDI-BCTVWOGZSA-N 378.881 4.669 10 40 GJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1O 13688787 JCTCIQPJFRWBGH-YBEGLDIGSA-N 391.901 4.850 10 40 GJCB Cc1cc([C@@H]2NC[C@H](C(=O)O)S2)c(C)n1-c1ccc(-c2ccccc2)cc1 408977836 KEDYCBQSZLRFBX-NHCUHLMSSA-N 378.497 4.549 10 40 GJCB Cc1ccc(COc2ccccc2/C=C2\SC(N3CCCC3)=NC2=O)cc1 6841210 MQHCSRBHUIRYPC-ZHZULCJRSA-N 378.497 4.640 10 40 GJCB CCOC(=O)c1ccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2O)cc1 27644679 BVUUHWDKLASZTQ-NRFANRHFSA-N 399.450 4.714 10 40 GJCB Cc1cc(CNC(=O)c2ccc3oc(Cl)nc3c2)c(C)n1-c1ccccc1 225985949 JXEWRFJWAJFEBG-UHFFFAOYSA-N 379.847 4.819 10 40 GJCB Oc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccnc2)cc1 227485970 RSMMAABWFWTLQW-TZIWHRDSSA-N 377.831 4.683 10 40 GJCB COc1cccc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1O 2255137 TVOXGKIWDJTFTJ-NVNXTCNLSA-N 391.901 4.768 10 40 GJCB COc1cccc([C@@H](CNCc2ccc(N3CCCCC3)cc2)N2CCCC2)c1 24981560 SQEJPDILVKJNNM-RUZDIDTESA-N 393.575 4.612 10 40 GJCB COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)c2cccs2)c1O 4942464 MVISOTDYWOQHJJ-AWEZNQCLSA-N 384.482 4.515 10 40 GJCB CCN(CC)c1ccc(CN(C(=O)c2ccc(OC)cc2)c2ccccn2)cc1 28291138 RRPDRDCJWZFQOH-UHFFFAOYSA-N 389.499 4.783 10 40 GJCB CCN(CC)c1ccc(CN(C(=O)COc2ccccc2)c2ccccn2)cc1 28291147 IOHZHEVYKZKVLE-UHFFFAOYSA-N 389.499 4.540 10 40 GJCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@@H]3C=CC[C@@H]32)cc1 37613810 QYZDSMOCENWUBF-GLJUWKHASA-N 383.831 4.651 10 40 GJCB CC(C)(C)[C@]12C(=O)C(=O)[C@@]3(C(C)(C)C)[C@@H]([C@@H]1C2(Cl)Cl)C3(Cl)Cl 100709598 ANVKBIDRBUAYNI-QYOFDKIESA-N 386.146 4.811 10 40 GJCB O=Cc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 5234134 WWOZGHBROPHQPO-OVCLIPMQSA-N 393.411 4.924 10 40 GJCB CCc1ccc(N2C(=O)/C(=C\c3nc4ccccc4n3C)SC2=S)cc1 5235990 DFFBJJBPZRKSOX-SFQUDFHCSA-N 379.510 4.542 10 40 GJCB Cc1ccccc1N1C(=O)/C(=C\c2cc3ccccc3oc2=O)SC1=S 409330351 LICJPOKQBSZXPZ-GZTJUZNOSA-N 379.462 4.507 10 40 GJCB Cc1ccc2c(c1NC(=O)c1ccccc1Cl)C(=O)c1ccccc1C2=O 5002811 AZWBUCPUHYODFZ-UHFFFAOYSA-N 375.811 4.676 10 40 GJCB COc1cccc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)c1OC 12032508 TYYGRMCADNQSMN-LVLBFHFTSA-N 385.510 4.666 10 40 GJCB CCN(CC)CCn1c(NCc2ccc(N(CC)CC)cc2)nc2ccccc21 13757695 VOCNMIJDJPPBIF-UHFFFAOYSA-N 393.579 4.836 10 40 GJCB CN1C(=O)/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)SC1=S 23623111 ZXGXSNXMMAHGFZ-CXUHLZMHSA-N 393.892 4.889 10 40 GJCB Cc1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C 218721670 UIKPXNPDZBMFFX-HXUWFJFHSA-N 380.532 4.796 10 40 GJCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(F)cc2)c1C 222784387 AXHGPIUJPOMDBH-NHCUHLMSSA-N 394.519 4.621 10 40 GJCB CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260578954 XXICSNDSFIKICD-OALUTQOASA-N 380.532 4.742 10 40 GJCB CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1OC 1258105 RZQKBMNNPAKHKD-LDADJPATSA-N 385.510 4.808 10 40 GJCB CC(C)c1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1 12032590 PYZSZKBZIRDNKB-XUDLPTGHSA-N 397.521 4.837 10 40 GJCB CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OCC 408903544 ZMGOHAAHIIIGKX-QGOAFFKASA-N 385.510 4.890 10 40 GJCB CSc1cccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)c1 409350740 SCPBQIFHCXFCRS-GZTJUZNOSA-N 386.567 4.880 10 40 GJCB O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1ccc(Br)cc1 1416326 HMJHNGLSCNMNQI-NTEUORMPSA-N 394.290 4.994 10 40 GJCB O=C1N=C(Nc2ccc(F)cc2)S/C1=C/c1ccc(Br)s1 8238684 QGACWRINPSYXST-YRNVUSSQSA-N 383.267 4.732 10 40 GJCB CCn1c(-c2ccc(O)c(O)c2)cs/c1=N\c1cccc(C(F)(F)F)c1 8340447 DJTJLMANSWAFNR-XLNRJJMWSA-N 380.391 4.899 10 40 GJCB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc3c(c2)C[C@@H](C)O3)SC1=S 13540339 WHJXWLVCNUSNND-UVIBUBJOSA-N 381.522 4.972 10 40 GJCB CCOc1ccc(/C=C2/SC(Nc3ccccc3Cl)=NC2=O)cc1OC 16684171 OEJXGCBZXRBGAJ-GZTJUZNOSA-N 388.876 4.830 10 40 GJCB COc1cccc(-n2c(C)cc(C(=O)N[C@H](C)c3sc(C)nc3C)c2C)c1 65532101 KDPVPIHYXSOXOQ-CQSZACIVSA-N 383.517 4.667 10 40 GJCB COc1ccccc1C1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1 408843985 SYGOJZYLMOFZHV-OQKWZONESA-N 397.478 4.596 10 40 GJCB Cc1ccc([N+](=O)[O-])cc1/C=C1/C=C(c2ccc(Br)cc2)OC1=O 408973372 APHUQKVALUFYSW-ZSOIEALJSA-N 386.201 4.647 10 40 GJCB CSc1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)c1 409343531 HYPPGQOMHZTUDD-OQLLNIDSSA-N 388.495 4.723 10 40 GJCB COc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC 15008955 MMEQMSHKZDBXPM-WOJGMQOQSA-N 385.510 4.726 10 40 GJCB Oc1ccc2ccccc2c1CN1CCN(Cc2c(O)ccc3ccccc23)CC1 19366532 VODGNLOGTZAHAP-UHFFFAOYSA-N 398.506 4.722 10 40 GJCB CCC(CC)C1=NN2C(=N)/C(=C/c3c(C)[nH]c4ccccc34)C(=O)N=C2S1 95471967 RKNUHQSHORJKPG-SRRKIXIOSA-N 379.489 4.532 10 40 GJCB Cc1[nH]c2ccccc2c1/C=C1\C(=N)N2C(c3ccccc3)=CSC2=NC1=O 13894409 KPQBYIGISFDNPP-DJCXZETLSA-N 384.464 4.781 10 40 GJCB CCN1C(=O)/C(=C/C=C2/Sc3ccc(Cl)cc3N2CC)SC1=S 100199154 ZHTUWYKCQFHRAT-MFUUIURDSA-N 382.963 4.878 10 40 GJCB CN(C)/N=N\c1c(Br)cc(Br)cc1Br 100257656 DFPXQTYSXXXLAU-SEYXRHQNSA-N 385.885 4.534 10 40 GJCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1c(-c2ccccc2)[nH]c2ccccc12 408765080 BIJGGAHTHJRHRV-UHFFFAOYSA-N 387.435 4.979 10 40 GJCB O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1ccc([N+](=O)[O-])o1 409054690 VNMFTAKVXSIODV-NTCAYCPXSA-N 375.336 4.961 10 40 GJCB Cc1cc(C(=O)[C@@H](C)Sc2nnc3n2CCCCC3)c(C)n1-c1ccccc1 6098052 TYORIUZTZYXBRF-QGZVFWFLSA-N 394.544 4.776 10 40 GJCB CN(C)c1ccc(CN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccn2)cc1 28288093 KWZXGMCYKFMZDQ-UHFFFAOYSA-N 389.543 4.897 10 40 GJCB COc1ccc(CC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1C 260800826 YMNJBYKHUPHWOI-PKOBYXMFSA-N 380.532 4.660 10 40 GJCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(Cl)cc1Cl 408792667 BVQHNSCISJGHKK-NVNXTCNLSA-N 382.287 4.712 10 40 GJCB O=C(O)CCN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 1454679 IANXNBUDMWQIIZ-PDGQHHTCSA-N 393.489 4.669 10 40 GJCB CN(C)c1ccc([C@@H]2NC(=O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)cc1 4913704 LEVOIKJTRLSWOE-AUUYWEPGSA-N 383.561 4.819 10 40 GJCB O=C1/C(=C\c2c[nH]nc2-c2ccccc2)SC(=S)N1CCc1ccccc1 6414183 ZKTXXFQIOGMVTN-QGOAFFKASA-N 391.521 4.521 10 40 GJCB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)N=C2S1 20037272 ATQVHMICFKTYJJ-ONBPWHQPSA-N 390.512 4.878 10 40 GJCB CCCn1cc(/C=C2\C(=O)N(C3CCCCC3)C(=S)N=C2O)c2ccccc21 34718960 AFBGJTPRQPNCEH-AQTBWJFISA-N 395.528 4.851 10 40 GJCB Cc1cc(N2CCCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222592568 XYVUGQRFUALDNR-ZLGUVYLKSA-N 378.545 4.580 10 40 GJCB O=C1NC(=S)S/C1=C\c1ccc(Sc2nc3ccccc3s2)o1 408992290 RGWSGYRIMZPUOL-XFFZJAGNSA-N 376.509 4.529 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1OCC 409002974 XQKGCWQAFPUAPQ-HKWRFOASSA-N 391.467 4.661 10 40 GJCB CCOc1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)cc1 2434550 BWOOFUNAEHEKKZ-UNOMPAQXSA-N 394.521 4.983 10 40 GJCB CCOc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1 19813601 WYCUPFNZOFINFQ-WOJGMQOQSA-N 380.494 4.972 10 40 GJCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(C)c3)N21 222676608 GXQQBLYHASZPFY-VLCRHTCISA-N 392.572 4.970 10 40 GJCB CCOc1ccc(/C=C2\C(=O)N(CCC3=CCCCC3)C(C)=C2C(=O)OC)cc1 409058946 PNHQFDZMAIMREX-PGMHBOJBSA-N 395.499 4.648 10 40 GJCB CCCCOc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1 2117973 LUEOZYKVFYZEGE-UHFFFAOYSA-N 391.467 4.817 10 40 GJCB biogenic COc1ccc(C2=N/C(=C/c3ccc(C)cc3)C(=O)N2c2ccc(OC)cc2)cc1 408840950 DVSQRPZZPCBVEY-XQNSMLJCSA-N 398.462 4.847 10 40 GJCB CCN(CC)c1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c(OC)c1 7365480 PPNJAEPLZUSIAG-UNOMPAQXSA-N 398.484 4.900 10 40 GJCB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 59435438 HTRLEYYZVJLWEU-JWGURIENSA-N 389.495 4.725 10 40 GJCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N(CC)CC)cc3)N21 222644761 VJKXSGDNWXCDNU-IOMROCGXSA-N 380.561 4.907 10 40 GJCB CCN(CCCNC(=S)Nc1ccc(OC)c(Cl)c1)c1ccc(C)cc1 225733531 BKTRKJCPIYYSDX-UHFFFAOYSA-N 391.968 4.860 10 40 GJCB COc1ccccc1C1=N/C(=C/c2ccccc2F)C(=O)N1c1cccc(C)c1 408843770 NOOUHNNNZLIXDH-RCCKNPSSSA-N 386.426 4.977 10 40 GJCB COc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1 723755 OEABRDHRVRDMGH-UHFFFAOYSA-N 387.439 4.822 10 40 GJCB CC(C)Oc1ccccc1/C=C1/SC(=S)N(c2cccc(C(=O)O)c2)C1=O 3354088 DSFYUWJBUNBXND-GZTJUZNOSA-N 399.493 4.578 10 40 GJCB CCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 5370739 YPUWCGSHMIFWSX-VKAVYKQESA-N 391.558 4.710 10 40 GJCB CC(C)Nc1cc(Nc2ccc(F)cc2)c2c(c1N)C(=O)c1ccccc1C2=O 5482818 MTWSRZRPYIIMOP-UHFFFAOYSA-N 389.430 4.747 10 40 GJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2ccc(Cl)cc2)o1 33330615 GKWXPVYKHAXXOX-ATVHPVEESA-N 396.855 4.546 10 40 GJCB Cc1ccc(N[C@@H](c2cccnc2)c2cc(Cl)c3cccnc3c2O)nc1 45944555 YFRCBICCPRGOPZ-IBGZPJMESA-N 376.847 4.894 10 40 GJCB Cc1oc2c(CNCc3cccs3)c(O)ccc2c(=O)c1-c1ccccc1 57312250 ILPHPLTVJPMKCV-UHFFFAOYSA-N 377.465 4.825 10 40 GJCB CC(C)(C)c1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1 59136001 LCXLRFJKGDRXNU-NTCAYCPXSA-N 382.460 4.795 10 40 GJCB Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72216817 MQIUGPDKZMYKPC-NRFANRHFSA-N 375.472 4.963 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2cccc(C)c2)cc1 408757260 XRIZKYJPBJSMPW-PXLXIMEGSA-N 386.426 4.977 10 40 GJCB O=C1/C(=C\c2ccc3cccc(Cl)c3n2)SC(=S)N1c1cccc(O)c1 9420890 OGDLUPWHQZTHIC-CXUHLZMHSA-N 398.896 5.000 10 40 GJCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCc2ccccc2)cc1 112124696 JZYYPZAGHNPHOZ-NKFKGCMQSA-N 397.478 4.510 10 40 GJCB C[C@@H]1Oc2ccccc2C=C1/C=C1/SC(=S)N(c2ccc(O)cc2)C1=O 9420002 UTUIWCBPDQJRKZ-HWQJWEFDSA-N 381.478 4.505 10 40 GJCB CCOC(=O)c1ccc(N[C@H](c2ccncc2)c2ccc3cccnc3c2O)cc1 27644685 BVUUHWDKLASZTQ-OAQYLSRUSA-N 399.450 4.714 10 40 GJCB CCN(CC)c1ccc(CNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 223357553 ATICIJWXSKQHQV-UHFFFAOYSA-N 393.575 4.695 10 40 GJCB COc1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)cc1 2402208 XKDANAWHQFOUBK-WQRHYEAKSA-N 380.494 4.593 10 40 GJCB CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(N(C)C)cc2)C1=O 7621608 OZTBGTFYTPPDMX-AQTBWJFISA-N 384.526 4.557 10 40 GJCB O=C1N=C(O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N1Cc1ccccc1 9350831 JLQHQRIIWKBGSS-PDGQHHTCSA-N 390.370 4.588 10 40 GJCB COc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 219306296 VWPVPWFJFCUBMP-QRVBRYPASA-N 396.531 4.576 10 40 GJCB O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1c1ccc(F)c(Cl)c1 2768685 QPMHSWBHCZSLAV-UUASQNMZSA-N 393.848 4.614 10 40 GJCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 8101637 UHCUSHJHMZRCCU-MPGHIAIKSA-N 384.819 4.861 10 40 GJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc(C)c(C)c1 100507596 NTVWBHOZKSWGGI-WQRHYEAKSA-N 384.277 4.784 10 40 GJCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)o1 408770103 STUVJQCJTIUBPR-UHFFFAOYSA-N 390.844 4.838 10 40 GJCB CC(C)c1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1 5374252 DZEIEQUCQBEVQD-MFOYZWKCSA-N 399.493 4.620 10 40 GJCB Cc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219289179 LDSCQGDEKDZPBF-RLLQIKCJSA-N 380.532 4.876 10 40 GJCB Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C 222744564 RYCNLVWNLGFJTD-IRLDBZIGSA-N 390.556 4.708 10 40 GJCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C/c1c(C)nn(Cc2ccccc2)c1C 408997685 OAJWNFICQJAPIT-OEAKJJBVSA-N 384.483 4.663 10 40 GJCB CC(C)C1=NN2C(=N)/C(=C\c3ccc(-c4ccccc4Cl)o3)C(=O)N=C2S1 18127252 HDTABFLJBCJKMZ-LHTBISBZSA-N 398.875 4.875 10 40 GJCB O=C(NCc1ccc(N2CCCC2)cc1)c1cc(-c2cccc3ccccc23)[nH]n1 44839365 XMSYUEBODSFRSP-UHFFFAOYSA-N 396.494 4.760 10 40 GJCB O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(OC3CSC3)c1)N2 408736665 ZWLCUDDGEARSHR-LQWHRVPQSA-N 380.469 4.916 10 40 GJCB CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)N=C2S1 5219368 QHGPVUGFTDWFRX-KDAGATOZSA-N 391.500 4.513 10 40 GJCB O=Cc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 1506076 WWOZGHBROPHQPO-NVNXTCNLSA-N 393.411 4.924 10 40 GJCB CCCCCOc1ccc([C@H]2CC(c3ccc(O)cc3)=NN2C(C)=O)cc1OC 4539055 CKAXAYUXNQBENW-OAQYLSRUSA-N 396.487 4.667 10 40 GJCB CN(C)c1ccc(/C=C\c2cc[n+](C)c(/C=C\c3ccc(N(C)C)cc3)c2)cc1 5460838 YJVPUYQIQXFOCX-UHFFFAOYSA-N 384.547 4.984 10 40 GJCB Cc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 1024559 FACIJKIBQRGFDE-UHFFFAOYSA-N 382.419 4.578 10 40 GJCB CCCCOc1ccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc1 2115452 PESOIZFSGZCJDF-UHFFFAOYSA-N 379.456 4.945 10 40 GJCB biogenic C[C@H]1Cc2cc(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)ccc2O1 13813734 UMVUTQHBZIVKDF-XACIZNRCSA-N 385.485 4.551 10 40 GJCB CCN1C(=O)/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)SC1=S 108042370 KUHPDNFONOUOEH-UVTDQMKNSA-N 382.432 4.717 10 40 GJCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3F)N21 222677102 XPWBYIODJRXRNA-IPHXSNPTSA-N 396.535 4.800 10 40 GJCB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)c1 225350766 YDEXMIXONRVJOZ-IBGZPJMESA-N 380.532 4.802 10 40 GJCB Oc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccn2)cc1 227485980 DMMCULBQLJMFAT-TZIWHRDSSA-N 377.831 4.683 10 40 GJCB Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c(C)c1 260613059 CMMNCZAQVSNPCX-ICSRJNTNSA-N 380.532 4.796 10 40 GJCB COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 1091438 SEWSRQDSFIVLRM-CJLVFECKSA-N 384.435 4.538 10 40 GJCB Cc1cc(C(=O)[C@H](C)OC(=O)c2cccc(O)c2)c(C)n1-c1ccc(Cl)cc1 6120047 JEHOAGUQLAZHBR-HNNXBMFYSA-N 397.858 4.881 10 40 GJCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 4852918 YQZKOUOSWQKKJB-FRQCXROJSA-N 381.388 4.728 10 40 GJCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(OC3CSC3)c1)N2 229884742 CYBLCGWUHVMXIL-OPYAIIAOSA-N 379.481 4.706 10 40 GJCB Cc1cc(C(=O)[C@@H](C)Sc2cccc[n+]2[O-])c(C)n1-c1ccc(Cl)cc1 2664141 VHWPNWBMMFUPHG-OAHLLOKOSA-N 386.904 4.744 10 40 GJCB O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)N1CCCCCCC1 84405161 RCHXNFCBRYTVJP-UHFFFAOYSA-N 399.457 4.530 10 40 GJCB COC(=O)[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1ccccc1 4747472 UCSJYNIIHDEMJW-HSZRJFAPSA-N 386.403 4.753 10 40 GJCB biogenic CCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(N(CC)CC)cc3)nc2c1 6348860 VKYFZOJEECVWDK-UHFFFAOYSA-N 396.516 4.564 10 40 GJCB CN(C)Cc1c(O)ccc2c(=O)c(Oc3ccc(F)cc3)c(C(F)(F)F)oc12 19902466 HWCGXXSYGPSMLH-UHFFFAOYSA-N 397.324 4.510 10 40 GJCB CC(C)c1noc(CSc2ncc(-c3ccccc3)n2Cc2ccco2)n1 48375220 RISOOEQQJXDEJY-UHFFFAOYSA-N 380.473 4.990 10 40 GJCB COc1ccccc1C1=N/C(=C/c2ccccc2F)C(=O)N1c1ccc(C)cc1 408847284 URLOFUZQIFBPIY-RCCKNPSSSA-N 386.426 4.977 10 40 GJCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S 5552006 AINFRCYDADKZPD-FEEIMYBTSA-N 385.510 4.540 10 40 GJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(Cl)c([N+](=O)[O-])c1 6054476 XLZWRFHBHUAXMF-YBEGLDIGSA-N 384.823 4.584 10 40 GJCB O=C(CC[C@@H]1CCCO1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 48678324 YQAGEZAMFZVSAE-YADARESESA-N 375.468 4.710 10 40 GJCB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 218973021 IKUVNXUMIKWATF-HSALFYBXSA-N 380.532 4.876 10 40 GJCB COc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219502342 BGDBOYFXVSKWRW-CEXWTWQISA-N 396.531 4.576 10 40 GJCB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c2ccccc21 409111094 AHOMFXDLSZDOMU-STZFKDTASA-N 387.439 4.909 10 40 GJCB CCCOc1ccccc1/C=C1/SC(=S)N(c2cccc(C(=O)O)c2)C1=O 4690753 XGYMFGPWWSGXAB-SFQUDFHCSA-N 399.493 4.579 10 40 GJCB O=C(O)c1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 9232308 KKHIJILFKMERGQ-VGOFMYFVSA-N 393.848 4.583 10 40 GJCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C 222782443 YQEJXTXVQXTNCP-FCHUYYIVSA-N 390.556 4.790 10 40 GJCB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 226738360 YKTMGXJAGUUQLA-TYILLQQXSA-N 384.819 4.861 10 40 GJCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cccc(Cl)c1Cl 408892587 IOTFOHRQGCKNCW-PTNGSMBKSA-N 394.298 4.999 10 40 GJCB COc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 223254527 YDKDIHBTRTYSKU-UHFFFAOYSA-N 394.905 4.581 10 40 GJCB COc1ccc(O)c([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 684590 RBUBSYQAYDNEIB-LAUBAEHRSA-N 378.453 4.705 10 40 GJCB COc1cc2c(cc1NCC(=O)Nc1cccc([N+](=O)[O-])c1)oc1ccccc12 11619268 UIIZIMRDBIGVRZ-UHFFFAOYSA-N 391.383 4.553 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 59435703 ONYDXQFWVKJZCJ-BOPFTXTBSA-N 388.250 4.871 10 40 GJCB Cc1[nH]c(=N)sc1/N=N/c1ccc(Br)cc1Br 16953700 IPIRUFZVWRRUNH-FOCLMDBBSA-N 376.077 4.804 10 40 GJCB O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1Nc1nc2ccccc2s1 96935805 FBILODKMINIUQW-NTEUORMPSA-N 387.486 4.664 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(CN2CCCCC2)c2ccccc12 101013574 NSPOBHGOSDBJEQ-XQNSMLJCSA-N 398.510 4.891 10 40 GJCB CCN(CC)c1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SC)nn32)cc1 102663033 STMVMXOESDGDOE-GOSISDBHSA-N 383.521 4.518 10 40 GJCB CCOC(=O)c1sc2nc(C)c(C(C)=O)c(-c3ccc(Cl)cc3)c2c1N 726276 JMPCICFXHOLDLG-UHFFFAOYSA-N 388.876 4.887 10 40 GJCB COc1ccc(NC(=S)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 1068034 IILLRBCLHJABSA-UHFFFAOYSA-N 395.528 4.753 10 40 GJCB Clc1ccc2nc(-c3ccccn3)c(Nc3ccc4c(c3)OCCO4)n2c1 4597432 BLGUPKUWXAXMPL-UHFFFAOYSA-N 378.819 4.565 10 40 GJCB COc1ccc(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)cc1 11619209 YMDMLIBYDQSXOH-UHFFFAOYSA-N 376.412 4.654 10 40 GJCB CN(CCCNC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccccc1 225748855 REBWXQMBMVJPMR-UHFFFAOYSA-N 383.561 4.821 10 40 GJCB COc1cccc2c1O[C@H](c1ccco1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 10215940 GZAQNVKHLVZTIJ-HTAPYJJXSA-N 376.412 4.545 10 40 GJCB CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)cc1 222738306 PPTMCUJOUGMGBA-FGZHOGPDSA-N 390.556 4.654 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1c(O)ccc2ccccc12 408892213 HHJYDKXKDLTOGA-QNGOZBTKSA-N 399.446 4.813 10 40 GJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O 1237957 OPIZDXCWDFDWKJ-WOJGMQOQSA-N 385.510 4.814 10 40 GJCB O=[P@](c1ccccc1)([C@H](c1ccccc1O)N1CCCCC1)N1CCCCC1 6340950 VXUMUJVFHPVKKH-QDPGVEIFSA-N 398.487 4.966 10 40 GJCB Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCCC1 222593034 KEFZTZMQWLSRCJ-NDXORKPFSA-N 378.545 4.580 10 40 GJCB Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 222829011 CMMNCZAQVSNPCX-QUCCMNQESA-N 380.532 4.796 10 40 GJCB CC(C)Oc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 409346738 OIAOPDFFTBGTND-NVMNQCDNSA-N 399.493 4.608 10 40 GJCB O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2F)N1c1ccc(F)cc1 408764484 IWFALIPFIBDXCN-DEDYPNTBSA-N 378.353 4.938 10 40 GJCB O=C(Oc1ccccc1)c1cc2c3c(c1O)[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21 4045278 PPHLXSUAQQATPK-FPAYPSAMSA-N 385.463 4.764 10 40 GJCB O=C(O)c1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)cc1 5648701 MPIUVTPLAGTMLD-LDADJPATSA-N 391.473 4.944 10 40 GJCB CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1CCCC1 1339994 HPHVAJROLUSGGO-UHFFFAOYSA-N 377.941 4.574 10 40 GJCB COc1cccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c1OC 4749382 TYYGRMCADNQSMN-KAECEXQPSA-N 385.510 4.666 10 40 GJCB Oc1ccc(Br)cc1[C@@H]1CC(c2ccccc2)=N[C@H](c2ccco2)N1 5027370 QXHILNQOTGWIEY-PXNSSMCTSA-N 397.272 4.970 10 40 GJCB CCc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C(=O)O)c3)C2=O)cc1 35648400 AVMRISGYMYTSAX-LICLKQGHSA-N 383.494 4.661 10 40 GJCB Cc1noc(C)c1CN(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 98054066 UTDXGJPALRCINR-TWGQIWQCSA-N 376.456 4.783 10 40 GJCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C 222782058 IGDRGWPZVALXBE-VXKWHMMOSA-N 390.556 4.790 10 40 GJCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O 409243779 YLNWNSYNFRIULS-XNTDXEJSSA-N 392.286 4.704 10 40 GJCB O=C1/C(=C/c2ccco2)SC(=S)N1CNc1cccc(C(F)(F)F)c1 1307109 UQCUYRHNTAOKHO-JYRVWZFOSA-N 384.404 4.569 10 40 GJCB Cc1ccccc1NC1=NC(=O)/C(=C/c2ccc(O)c(Br)c2)S1 96663441 JVYBVDHUYCHUGH-DHDCSXOGSA-N 389.274 4.546 10 40 GJCB COc1ccc(N2CCN(C(=O)c3cc4c(ccc5ccccc54)o3)CC2)cc1 408607422 MCJZPYWBKOKYSR-UHFFFAOYSA-N 386.451 4.557 10 40 GJCB COc1cc([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 6022728 HJFUFWMCFXIJRV-JLHGSKIFSA-N 379.456 4.742 10 40 GJCB COc1ccc(OC)c(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)c1 12032509 UUMYREWJOVDWMT-HTMJNSLASA-N 385.510 4.666 10 40 GJCB CCc1ccccc1N1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S 35039062 MMNMSVXPXQDPDA-LDADJPATSA-N 385.510 4.672 10 40 GJCB COc1ccc(-c2coc3c(CN4C[C@@H](C)C[C@H](C)C4)c(O)ccc3c2=O)cc1 41583925 IJQSLXSXRKXHES-HOTGVXAUSA-N 393.483 4.652 10 40 GJCB biogenic CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3C)N21 222676230 HDPNXQQEDUUBRD-BULFRSBZSA-N 392.572 4.970 10 40 GJCB COc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1C 223500568 GDXLBGBJKTYZBK-IBGZPJMESA-N 380.532 4.804 10 40 GJCB CC(=O)c1c(C)[nH]c(C(=O)CSc2ncc(-c3ccc(C)cc3)n2C)c1C 8754810 RCSAYATZQZRQNA-UHFFFAOYSA-N 381.501 4.518 10 40 GJCB COc1cccc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)nc12 54360786 ZZGXIANCAAWGMD-PDGQHHTCSA-N 392.505 4.645 10 40 GJCB FC(F)(F)Oc1ccc(N2CC[C@H](CNc3nc4ccccc4o3)C2)cc1 84600430 YGJULBXUACVQRG-CYBMUJFWSA-N 377.366 4.665 10 40 GJCB Cc1cc(C)cc(OCC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 8846292 SBBAHPKMOBGVNC-UHFFFAOYSA-N 392.499 4.570 10 40 GJCB CCC(CC)C1=NN2C(=N)/C(=C\c3c(C)[nH]c4ccccc34)C(=O)N=C2S1 20478759 RKNUHQSHORJKPG-INIXKHHFSA-N 379.489 4.532 10 40 GJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1nc2ccc(C)cc2s1 101129544 UHFCPIPEJGQVCA-GZTJUZNOSA-N 376.485 4.940 10 40 GJCB CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S 1219465 ICCBOXUXEPGYNG-YBEGLDIGSA-N 375.902 4.750 10 40 GJCB CCC1(O)[C@@H](C)[C@@H](c2ccc(N(C)C)cc2)N[C@H](c2ccc(N(C)C)cc2)[C@H]1C 8818420 KJQBZHDKPAMYIE-SCQYUHHQSA-N 395.591 4.618 10 40 GJCB CCOc1ccccc1N/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C 17080183 UWSVOPCATHAOIF-UYRXBGFRSA-N 392.484 4.804 10 40 GJCB CCCN(Cc1ccccc1O)C(=O)c1cc(Cl)cc(Br)c1O 95469029 HVLZPYPPPWEAIG-UHFFFAOYSA-N 398.684 4.566 10 40 GJCB CN1C(=O)/C(=C/c2ccc(-c3cccc(Br)c3)o2)SC1=S 4714580 OHUXYKJTCWGFQI-JYRVWZFOSA-N 380.288 4.540 10 40 GJCB COc1ccc(C(=O)Oc2ccc(Cl)cc2-n2c(C)ccc2C)cc1OC 5659403 KKWBYBCNBTYVNF-UHFFFAOYSA-N 385.847 4.984 10 40 GJCB CC(=O)Nc1ccc(-n2c(C)cc([C@H]3NN=C(c4ccccc4)S3)c2C)cc1 6961739 GJVQGGMARHZJLS-QFIPXVFZSA-N 390.512 4.749 10 40 GJCB Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)c1 7378363 MZNRXQLXRXOTKU-UHFFFAOYSA-N 382.847 4.543 10 40 GJCB CCOc1ccccc1Oc1coc2c(CN(CC)CC)c(O)ccc2c1=O 20461118 GHLBEUMTUGUTML-UHFFFAOYSA-N 383.444 4.531 10 40 GJCB Cc1ccc(O)c(C2=NN3[C@H](c4ccccn4)Oc4ccc(Cl)cc4[C@H]3C2)c1 102907337 IZLAKZSVFLVUOQ-KNQAVFIVSA-N 391.858 4.991 10 40 GJCB COc1ccc(/C=C2/SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1 1259803 GETRTGZIHRXYMB-LTGZKZEYSA-N 392.524 4.620 10 40 GJCB COc1ccc(O)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 4660167 RBUBSYQAYDNEIB-UWJYYQICSA-N 378.453 4.705 10 40 GJCB Cc1ccc(C2(c3ccc(C)cc3)OC(=O)C(=Cc3ccccc3)C(=O)O2)cc1 5540932 YIKIJUKCTLXINX-UHFFFAOYSA-N 384.431 4.688 10 40 GJCB Oc1ccc(C2=NN3[C@H](c4ccccn4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 102907382 DMMCULBQLJMFAT-CTNGQTDRSA-N 377.831 4.683 10 40 GJCB COc1ccc2ccccc2c1/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O 409193184 DVMWJQYDBOZLNE-XDHOZWIPSA-N 394.521 4.804 10 40 GJCB Cc1cc(C(=O)CSc2nncn2-c2ccccc2)c(C)n1-c1ccccc1 4835168 CWAVKZMNXLPNLY-UHFFFAOYSA-N 388.496 4.650 10 40 GJCB COCCCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 9189321 RTPPEQAIGUSMMU-RGEXLXHISA-N 399.537 4.503 10 40 GJCB Cc1ccc(C)c(NC2=NC(=O)/C(=C/c3c(C)nc4sc(C)cn34)S2)c1 28621302 ALSVAZRWUYZGSV-PXNMLYILSA-N 382.514 4.712 10 40 GJCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2)cc1 1306618 LBFUJGYLPBKREA-OQKWZONESA-N 396.446 4.698 10 40 GJCB CCOC(=O)C(C)(C)Oc1ccc2c(-c3ccc(Cl)cc3)cc(=O)oc2c1 1631605 BMEKUDNQMFCMBR-UHFFFAOYSA-N 386.831 4.834 10 40 GJCB COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4ccccc4)C3=O)n2)cc1 100511029 MVJINLXEZQOTHZ-CCWVLBSLSA-N 391.456 4.694 10 40 GJCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3F)N21 222677044 XPWBYIODJRXRNA-ONGXBYRLSA-N 396.535 4.800 10 40 GJCB CCOc1ccc2nc(N3CCCCC3)c(/C=C3\SC(S)=NC3=O)cc2c1 1250342 MADPIPDDXCQWLI-ATVHPVEESA-N 399.541 4.524 10 40 GJCB COc1cc(O)c(CN2C[C@@H](C)C[C@H](C)C2)c2oc(-c3ccccc3)cc(=O)c12 11865265 QLPKJMOJXSWDEW-HOTGVXAUSA-N 393.483 4.652 10 40 GJCB biogenic COc1ccc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)cc1OC 13590098 BXIPHNWJDZGAKJ-YBEGLDIGSA-N 391.901 4.763 10 40 GJCB CCOc1ccc(CN(Cc2nc(C)no2)c2ccc(OC)c(Cl)c2)cc1 28268769 ATWDXNFLFAQWID-UHFFFAOYSA-N 387.867 4.646 10 40 GJCB CCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S 1446699 VMYVJNSJXUHGJS-ZROIWOOFSA-N 394.315 4.930 10 40 GJCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1ccc(Cl)cc1 103917846 JXYINQJNHVVEQH-QNGOZBTKSA-N 397.906 4.915 10 40 GJCB COc1ccc(N2CCCN(C(=O)Nc3cccc([C@@H](C)SC)c3)CC2)cc1 67580057 FPQXYBMPRCFIGY-QGZVFWFLSA-N 399.560 4.863 10 40 GJCB Cc1ccc(C)n1-c1ccsc1C(=O)N1CC=C(c2ccc(O)cc2)CC1 84191470 ZQHQEGJLUMPSAW-UHFFFAOYSA-N 378.497 4.791 10 40 GJCB COc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 10215990 NMKZSRFCGHBDPK-IERDGZPVSA-N 396.830 4.890 10 40 GJCB CC(C)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1 13343101 AKLYTCNHRZHZKT-VBKFSLOCSA-N 377.531 4.656 10 40 GJCB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(N2CCCC2)cc1 20039085 ADAVYDVXOAHRIW-QHCPKHFHSA-N 388.511 4.914 10 40 GJCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(Nc2ccc(F)cc2)=NC1=O 33649308 RSSIOBNKBBATJM-UNOMPAQXSA-N 399.466 4.956 10 40 GJCB COc1ccc(-c2coc3c(CN4C[C@H](C)C[C@@H](C)C4)c(O)ccc3c2=O)cc1 41583926 IJQSLXSXRKXHES-HZPDHXFCSA-N 393.483 4.652 10 40 GJCB biogenic COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(SC)cc1 58884107 NFUZYMCWQJOQGU-MOSHPQCFSA-N 393.508 4.590 10 40 GJCB CCCN1C(=O)/C(=C/c2ccccc2OCCOc2ccccc2)SC1=S 409335234 ZOEBLVIVWWZTCC-CYVLTUHYSA-N 399.537 4.756 10 40 GJCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 15591172 IQMBWZRTAWUVLS-UHFFFAOYSA-N 393.918 4.710 10 40 GJCB COc1ccc(-c2c(C)oc3c(CN4CCC[C@@H](C)C4)c(O)ccc3c2=O)cc1 20411780 XLIOEUNETUEZEJ-OAHLLOKOSA-N 393.483 4.715 10 40 GJCB biogenic CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c2ccccc21 409206728 WPLHYFBJYKEXFS-KGENOOAVSA-N 386.451 4.699 10 40 GJCB CC(=O)c1cc(NC(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)ccc1F 1556544439 CHEBDPOVVWYHPB-UHFFFAOYSA-N 392.430 4.809 10 40 GJCB CC[n+]1c(/C=C2\Sc3ccc(OC)cc3N2C)ccc2cc(OC)ccc21 904952 QWZIHLFWAZCZFC-UHFFFAOYSA-N 379.505 4.705 10 40 GJCB CN(C1=NC(=O)/C(=C/c2ccc(Cl)cc2Cl)S1)c1ccc(O)cc1 5347401 PTPRVPPTYKWRBS-NVNXTCNLSA-N 379.268 4.806 10 40 GJCB COc1ccccc1NC[C@@H](O)CN1c2ccccc2Sc2ccccc21 5738964 QWZZIUFVZBVLIB-MRXNPFEDSA-N 378.497 4.771 10 40 GJCB Cc1ccc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)c(C)c1 7378491 IDWIKQYNMXWALU-UHFFFAOYSA-N 376.456 4.506 10 40 GJCB O=C1Nc2ccccc2S/C1=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 409090567 RFXLUEWTKWBHLX-CPNJWEJPSA-N 381.457 4.670 10 40 GJCB O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1cccc(Br)c1 1244833 ODQZNTJYYVGSOL-RIYZIHGNSA-N 394.290 4.994 10 40 GJCB Cc1cc(C(=O)[C@H](C)Oc2ccc(-c3nnco3)cc2)c(C)n1-c1ccccc1 6122244 SZRNCNDMGPDJEI-KRWDZBQOSA-N 387.439 4.794 10 40 GJCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O 15008528 NYESGNXPVVCJSO-BUHHDHKDSA-N 381.478 4.767 10 40 GJCB CCOC(=O)c1cccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)c1 27644735 WFPSPUGQVDBURD-QFIPXVFZSA-N 399.450 4.714 10 40 GJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(Cl)cc1 222739966 RFDLMHGOMACYPO-UXHICEINSA-N 396.947 4.745 10 40 GJCB COc1ccc2ccc(OC)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c2c1 409050284 UAPVFBUGLNVYJD-ZDLGFXPLSA-N 387.526 4.714 10 40 GJCB Cc1ccc(C)n1N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S 409198724 KFJACYOFSXZRML-MDWZMJQESA-N 383.325 4.949 10 40 GJCB C[C@@H]1CN(C2=NC(=O)/C(=C/c3cccc(Oc4ccccc4)c3)S2)C[C@@H](C)O1 4826701 IKCSQSMFDFZPHP-XLOQWRIGSA-N 394.496 4.558 10 40 GJCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 4852914 YQZKOUOSWQKKJB-TXPKVOOTSA-N 381.388 4.728 10 40 GJCB CCOC(=O)/C=C/c1ccc(/N=[N+](\[O-])c2ccc(/C=C/C(=O)OCC)cc2)cc1 13407887 CBLCNQSQQWICQM-JOGJQXKFSA-N 394.427 4.765 10 40 GJCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cc([N+](=O)[O-])ccc1C 112120147 XIWOQMCBXQZGII-HKWRFOASSA-N 378.432 4.792 10 40 GJCB C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 217895077 HFBLIWWXYSBMPM-PLDDMEKUSA-N 393.487 4.722 10 40 GJCB CN(C)c1ccc([C@@H]2OC(=O)c3ccccc3N2C(=O)Nc2ccccc2)cc1 223814028 KUVIFOMVUWOMKX-NRFANRHFSA-N 387.439 4.660 10 40 GJCB CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N3C[C@@H]1CC=C[C@H]21 239274782 ARLIBSQDLKMFGT-PLPOIYILSA-N 397.518 5.758 10 40 GJCB CCOc1ccccc1N/C=C1\SC(=S)N([C@@H](C)c2ccccc2)C1=O 5021794 VNSAUSPJGMFITB-RVAQLADHSA-N 384.526 4.960 10 40 GJCB CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=S 5913607 FDHUCMYSCXQQRP-MHWRWJLKSA-N 375.902 4.750 10 40 GJCB COc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)c1O 7884566 DSDUZARNNNSGLK-FQEVSTJZSA-N 380.831 4.825 10 40 GJCB Cc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccn2)c1 10215307 IZLAKZSVFLVUOQ-SIKLNZKXSA-N 391.858 4.991 10 40 GJCB CC(=O)c1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1 20226877 UNGFIPVMHZIFPK-VCHYOVAHSA-N 378.478 4.776 10 40 GJCB Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)n2CC(C)C)n1 24890675 YWSWFXZXJICNFO-UHFFFAOYSA-N 386.546 4.702 10 40 GJCB CCCC(=O)N[C@@H](c1ccc(OC)cc1)c1cc(Cl)c2cccnc2c1O 801084 RVDHGGKEOWVTGO-IBGZPJMESA-N 384.863 4.608 10 40 GJCB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(F)c(Cl)c1 8513534 FUELALKRFHUJCO-VGOFMYFVSA-N 394.836 4.793 10 40 GJCB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccccc1Cl 409002953 XMLQGUNGOZQKMF-RVAQLADHSA-N 381.859 4.774 10 40 GJCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)cc(C(=O)O)cc3[C@H]3C=CC[C@H]32)cc1 8205701 DFZANHVSCRYEGL-DAYGRLMNSA-N 383.831 4.651 10 40 GJCB COc1cc2c(cc1NCC(=O)Nc1ccccc1OC)oc1ccccc12 11619245 KNENNTSULKACJN-UHFFFAOYSA-N 376.412 4.654 10 40 GJCB C[C@@H](COc1ccccc1)COc1ccccc1/C=C1\SC(=S)N(C)C1=O 13894774 KHELLLLIXXNPNH-CCRNYGKSSA-N 399.537 4.612 10 40 GJCB O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(F)cc1F 58701167 UHIMLOGOHSNRME-UHFFFAOYSA-N 386.832 4.543 10 40 GJCB Cc1c(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] 217876154 RRKAQDHTOTTYDF-WBVHZDCISA-N 381.476 4.631 10 40 GJCB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)n1-c1ccccc1 222854048 NGZUOHCJMRQWLC-SFTDATJTSA-N 376.529 4.562 10 40 GJCB O=C1N=C(Nc2ccc(F)cc2)S/C1=C\c1ccc(Br)cc1 5551196 VUSZUVKODXKPJZ-ZROIWOOFSA-N 377.238 4.671 10 40 GJCB N=C1/C(=C/C=C\c2ccccc2)C(=O)N=C2SC(c3ccccc3Cl)=NN12 41108015 KYLZAHALNUJIHC-UTWHIUEUSA-N 392.871 4.564 10 40 GJCB CCOc1ccc2nc(N/C=C3/C(=O)N(c4cccc(C)c4)N=C3C)sc2c1 101123749 ZREMJQKEXRWPSO-SFQUDFHCSA-N 392.484 4.722 10 40 GJCB O=C1N=C(O)/C(=C/C=C/c2ccccc2)C(=O)N1c1cccc(C(F)(F)F)c1 8995945 BINVLJAEFMLKBL-MAHQCVNESA-N 386.329 4.768 10 40 GJCB Cc1cc(C(=O)CSc2nnc(-c3ccc[nH]3)o2)c(C)n1-c1ccccc1F 18365331 BADMHTXCWNEZRH-UHFFFAOYSA-N 396.447 4.586 10 40 GJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NCCc1ccc(Cl)cc1 100111159 AMSKBYOIKZZYDS-XMHGGMMESA-N 385.870 4.698 10 40 GJCB COc1ccc(C(=O)C2CCN(Cc3cc(C(C)C)c(C)cc3O)CC2)cc1 14312168 KTDDBOGARDYQKW-UHFFFAOYSA-N 381.516 4.928 10 40 GJCB Cc1cc(N2CCCC2)ccc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222592640 XYVUGQRFUALDNR-DQLDELGASA-N 378.545 4.580 10 40 GJCB CCCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(OC)c(OC)c1)C3 2116830 PZDUAXZPELZLST-UHFFFAOYSA-N 395.455 4.509 10 40 GJCB biogenic CN(C)c1ccc([C@H]2NC(=O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)cc1 4913693 LEVOIKJTRLSWOE-LIRRHRJNSA-N 383.561 4.819 10 40 GJCB CCCCN1C(=O)/C(=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21 13534684 BGTUMWSMZPFEPP-ZCXUNETKSA-N 394.521 4.609 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(C)cc1 17167672 YRNKFTCMYDTEMZ-BOPFTXTBSA-N 397.858 4.534 10 40 GJCB Cc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)N(c3ccccc3)C2=O)cc1 59139082 JNBPJEGQBGRQMI-DXKLAFQQSA-N 398.418 4.728 10 40 GJCB O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC(=S)N1Cc1ccccc1 59417955 GDJFWXPTJOMEKN-ONKXNFODSA-N 382.466 4.552 10 40 GJCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccccc1Cl 101135491 YFTXYODASDZGCS-PDGQHHTCSA-N 396.903 4.736 10 40 GJCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)c(C)c3)N21 260762628 GXQQBLYHASZPFY-COPCDDAFSA-N 392.572 4.970 10 40 GJCB COc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 408761748 BDWWQXNMQUSZPW-KGENOOAVSA-N 390.389 4.808 10 40 GJCB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 408926779 YJCNDBMSUVHUDC-CPSFFCFKSA-N 383.325 4.890 10 40 GJCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCc1ccccc1 4613373 BTYRBDCPXFDYTH-HMMYKYKNSA-N 390.512 4.863 10 40 GJCB CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1c(O)ccc2ccccc12 5067800 TUVCLDJAQUPYDA-UHFFFAOYSA-N 388.389 4.635 10 40 GJCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 58865970 RQCXRJKRRRBZJW-UHFFFAOYSA-N 398.842 4.673 10 40 GJCB COc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219502488 BGDBOYFXVSKWRW-GUDVDZBRSA-N 396.531 4.576 10 40 GJCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C 222782232 IGDRGWPZVALXBE-FGZHOGPDSA-N 390.556 4.790 10 40 GJCB CCCN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O 409248845 RPXGWCWBVLQXJL-MFOYZWKCSA-N 392.286 4.704 10 40 GJCB CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1OC 13598459 FFGDSNQXLQABEN-BOPFTXTBSA-N 389.473 4.639 10 40 GJCB O=C1c2ccccc2C(=O)C1(c1ccccc1)N1CCC(Cc2ccccc2)CC1 20575072 GTJXCCWRRCZKTR-UHFFFAOYSA-N 395.502 4.916 10 40 GJCB COc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(c2ccccc2)C1=O 409244579 FUYIDISWQAZXMD-ZHZULCJRSA-N 394.496 4.926 10 40 GJCB Nc1ccc(/N=N\c2cccc3c(/N=N\c4ccc(N)nc4N)cccc23)c(N)n1 104231103 BKITVKZRQCDHKO-ZUELCTOOSA-N 398.434 4.789 10 40 GJCB CCN(CC)c1ccc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1 409060510 WWGULSXPGNTUMS-RGEXLXHISA-N 382.485 4.782 10 40 GJCB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)c1ccc(F)c(F)c1 4993928 YMOVBDAQFSDTHS-UHFFFAOYSA-N 399.378 4.645 10 40 GJCB CN1C(=O)/C(=C\c2ccc3noc(-c4ccc(Cl)cc4)c3c2)SC1=S 5032676 OJUQZWGWQGTYOU-OQLLNIDSSA-N 386.885 4.979 10 40 GJCB O=C1N/C(=C/c2ccc(N3CCCCC3)cc2F)C(=O)N1c1cccc(Cl)c1 14009877 MQUMRLWEDFKONC-YBFXNURJSA-N 399.853 4.567 10 40 GJCB COc1ccccc1Oc1coc2c(CN3CCCC[C@H]3C)c(O)ccc2c1=O 20394735 UXQROXIAEXJEEX-OAHLLOKOSA-N 395.455 4.674 10 40 GJCB biogenic Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c(C)n1C1CCCC1 33316934 IFIJKTMEMDGCRX-CPNJWEJPSA-N 383.492 4.855 10 40 GJCB C/C(NCc1cccs1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 112122955 KQYMEBYEHQLZSY-HKWRFOASSA-N 391.471 4.702 10 40 GJCB CCCCCN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccc(OC)cc1 112123654 SCYZURZZQGHLMT-PGMHBOJBSA-N 395.478 4.639 10 40 GJCB C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4ccccc4c3)cc2)C1 223701510 DYMIZLQHSFAWFD-SFHVURJKSA-N 394.540 4.555 10 40 GJCB CCN(CC)C(=S)SCC(=O)c1cc(C)n(-c2ccccc2F)c1C 1746301 NNBITWGUJFRSJF-UHFFFAOYSA-N 378.538 4.776 10 40 GJCB COc1ccc(N2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1 3340081 WKOAWROZQSYNLA-UHFFFAOYSA-N 396.494 4.632 10 40 GJCB Cc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)cc1 59232578 KTOBOGUYAPVQOI-FYJGNVAPSA-N 396.446 4.867 10 40 GJCB CC1CCN(c2ccc([C@H](C)NC(=O)COc3ccccc3Cl)cc2)CC1 218849978 VXTBTSFJXOIUAR-KRWDZBQOSA-N 386.923 4.833 10 40 GJCB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260453303 ISBKFVHLBGJRJX-SLFFLAALSA-N 380.532 4.876 10 40 GJCB Cc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)n1C1CCCC1 409140168 FKFNMCTWBKHPDE-PBXDPIQXSA-N 390.574 4.600 10 40 GJCB O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(Cl)cc3)cc1)C2=O 4179240 RUSWPSHMURDQDD-UHFFFAOYSA-N 393.782 4.631 10 40 GJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1c2ccccc2cc2ccccc12 12292883 OKJWTOBUUJGNRU-JCMHNJIXSA-N 392.414 4.659 10 40 GJCB O=C1N=C(Nc2ccccc2Br)S/C1=C/c1ccc(F)cc1 16672929 NIBMYHNMGOIYIS-NTEUORMPSA-N 377.238 4.671 10 40 GJCB CC(C)c1ccc(O)c(CN2CCN(Cc3cc(C(C)C)ccc3O)CC2)c1 19313323 ZYGQJJHJZJSWKN-UHFFFAOYSA-N 382.548 4.662 10 40 GJCB O=C1/C(=C/c2ccc(Cl)cc2Cl)C(O)=NC(=S)N1c1ccccc1F 59135782 MRMORZMBTNZPID-YRNVUSSQSA-N 395.242 4.804 10 40 GJCB COc1ccccc1/C=C1/N=C(c2ccc(C)cc2)N(c2ccc(F)cc2)C1=O 408766156 ZVCWEFQPFXIRFQ-RCCKNPSSSA-N 386.426 4.977 10 40 GJCB Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccccn1 408960713 HWYMTVAPZKNEMZ-QGOAFFKASA-N 391.521 4.895 10 40 GJCB O=C(c1cc(F)ccc1F)C1CCN(Cc2c(O)ccc3ccccc23)CC1 54518477 KRJQROQLFXPDLZ-UHFFFAOYSA-N 381.422 4.919 10 40 GJCB COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4ccccc4)C3=O)n2)cc1 100511027 MVJINLXEZQOTHZ-KGNHYALCSA-N 391.456 4.694 10 40 GJCB Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] 218131728 UUMBKCJQKLUJIZ-NVXWUHKLSA-N 381.476 4.631 10 40 GJCB CCN(CC)c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(OC)c1 260755931 CIYDLICFNYSYRJ-IPHXSNPTSA-N 396.560 4.526 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccccc2F)cc1 408839911 BIJACEZQKWTEAW-PXLXIMEGSA-N 386.426 4.977 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(CC)cc1 409058365 MVEFRIHUHNLKFN-QNGOZBTKSA-N 375.468 4.825 10 40 GJCB C[C@H](NCc1cc(O)c(CN[C@H](C)c2ccccc2)cc1O)c1ccccc1 1680967 LWEZAHAWRCMFBJ-HDICACEKSA-N 376.500 4.799 10 40 GJCB COc1ccc([C@H]2CC(c3ccccc3O)=NN2C(=O)/C=C/c2ccccc2)cc1 5254763 GGFNVLXOKBHUQT-UUFSLDAJSA-N 398.462 4.792 10 40 GJCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(F)c3)N21 222676829 BOOFUGNAHNOUQS-MAODMQOUSA-N 396.535 4.800 10 40 GJCB O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 408671889 UIZVVMRQJYEMSC-CTCZBSNXSA-N 399.446 4.768 10 40 GJCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C1=O 409247828 OEMCBZBFWMBOPJ-CXUHLZMHSA-N 392.286 4.704 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccccc2)cc1 653936 CEJICYNKZKCWMN-LTGZKZEYSA-N 384.435 4.538 10 40 GJCB Cc1cccnc1N[C@H](c1ccc([N+](=O)[O-])cc1)c1ccc2cccnc2c1O 947297 WELXVIRRZWBNAN-LJQANCHMSA-N 386.411 4.754 10 40 GJCB Cc1cc2nc(/C=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2cc1C 6904037 NXLZNLQMTSPOMI-GQCTYLIASA-N 395.484 4.828 10 40 GJCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)Nc4ccccc43)c2C)cc1 12693969 KJMBITURMQVLJT-STZFKDTASA-N 386.451 4.764 10 40 GJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(Br)cc1 13137848 KQFVEOPVRIHXDO-YBEGLDIGSA-N 390.668 4.821 10 40 GJCB CCN1/C(=C2\SC(=S)N(c3ccccc3)C2=O)C=Cc2cc(OC)ccc21 55027888 CBSSPOJGCYUDRY-HNENSFHCSA-N 394.521 4.825 10 40 GJCB O=C1c2ccccc2C(=O)c2c1sc(Nc1ccc(Cl)cc1)c2C(=O)O 72194227 ZIBFSOHYYUKGNW-UHFFFAOYSA-N 383.812 4.619 10 40 GJCB Cc1ccc([C@@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)C2CCCC2)o1 95462789 RQKVUUKSGDNFPD-QHCPKHFHSA-N 386.511 4.709 10 40 GJCB COc1ccc(C2=NN(C(=O)/C=C/c3ccccc3)[C@H](c3ccccc3)C2)c(O)c1 1279865 QMDBMRNDDPWKEL-UXZSZYKQSA-N 398.462 4.792 10 40 GJCB O=C1N=C(Nc2cccc(Cl)c2Cl)S/C1=C\c1ccc(C(=O)O)cc1 2713880 TVNNMSRUDKWVKN-JYRVWZFOSA-N 393.251 4.774 10 40 GJCB CC(C)(C)[C@]12C(=O)C(=O)[C@]3(C(C)(C)C)[C@H]([C@H]1C2(Cl)Cl)C3(Cl)Cl 4844040 ANVKBIDRBUAYNI-YHIXANTKSA-N 386.146 4.811 10 40 GJCB CC(C)C1=NN2C(=N)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N=C2S1 30904724 IPOGJLOCODZXKO-ICZFKYGZSA-N 398.875 4.875 10 40 GJCB O=C1/C(=C/c2ccc3ncccc3c2)SC(=S)N1CCc1ccccc1 51330873 PQDFMYNBDMDPTJ-RGEXLXHISA-N 376.506 4.679 10 40 GJCB COc1cccc2c1O[C@H](c1cccs1)N1N=C(c3ccccc3O)C[C@@H]21 169681538 DIFXVNPYNFOGAX-HRAATJIYSA-N 378.453 4.705 10 40 GJCB CCCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)N1CCCCC1 4850403 AVSJFOHJZGFFIL-UHFFFAOYSA-N 375.513 4.594 10 40 GJCB Cc1ccc(NC(=S)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1Cl 13039517 KGFLFHUHQUWJQW-QGZVFWFLSA-N 390.936 4.732 10 40 GJCB COc1ccccc1N1C(=O)/C(=C\c2cn(C)c3ccccc23)SC1=S 2411859 XTDHGMWVNFQMCQ-WOJGMQOQSA-N 380.494 4.593 10 40 GJCB CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccco2)SC1=S 1462148 VCCACJPDGMJBIT-ATVHPVEESA-N 395.509 4.744 10 40 GJCB O=C1N=C(Nc2cccc(Br)c2)S/C1=C/c1ccc(F)cc1 16669659 PWWQCVXMMWJKPK-RIYZIHGNSA-N 377.238 4.671 10 40 GJCB Cc1ccc(S(=O)(=O)Nc2c(Cl)c(Cl)c(O)c3ccccc23)cc1 17779290 OWGXKQOZTOWCSV-UHFFFAOYSA-N 382.268 4.961 10 40 GJCB CCSc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccc(F)cc1S2 19802284 SPTSTXDKTQWLNQ-LJQANCHMSA-N 388.577 4.934 10 40 GJCB CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)c2C)cc1 20037288 SRQCQJGJNQKFQN-FNYLDBEHSA-N 390.512 4.824 10 40 GJCB C/C(Nc1cccc(C)n1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 103920313 MJUBBMHBZXVUKZ-PGMHBOJBSA-N 386.430 4.666 10 40 GJCB Cc1cc(C)cc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 218694084 FRGHAPQZPQXCRT-XLIONFOSSA-N 380.532 4.796 10 40 GJCB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(N2CCCCC2)cc1 219025984 ZJTKCAQTBDWMMW-IBGZPJMESA-N 388.511 4.914 10 40 GJCB COc1ccc(N/C(C)=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 17078292 KEHDMPGIWQMPFL-XLNRJJMWSA-N 383.451 4.832 10 40 GJCB Cc1ccc2ccc([C@H](Nc3ccc(Cl)cn3)c3ccccn3)c(O)c2n1 46085447 VFHGQGSFHIWFFF-FQEVSTJZSA-N 376.847 4.894 10 40 GJCB CCN(CC)c1ccc(CNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 225803173 RSWAUWVIHNOJOM-SFHVURJKSA-N 382.548 4.914 10 40 GJCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)OC)c3[C@@H]3C=CC[C@@H]32)cc1 409172076 GVSYVNJYFGNIHH-VCBZYWHSSA-N 397.858 4.740 10 40 GJCB COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(OC)c1 409338912 QQQCCOOVJRDHTA-ZDLGFXPLSA-N 385.510 4.726 10 40 GJCB COc1ccc(NC2=NC(=O)/C(=C/c3c(F)cccc3Cl)S2)c(OC)c1 5373270 YRCMEZGCUMFUIJ-SXGWCWSVSA-N 392.839 4.579 10 40 GJCB Cc1ccc(N2NC(=O)/C(=C/c3c4ccccc4cc4ccccc34)C2=O)cc1 6077337 RYWOTDRXBYJISH-HAHDFKILSA-N 378.431 4.763 10 40 GJCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1c(Cl)cccc1Cl 6395069 WPGONRBQGONLKN-UVTDQMKNSA-N 380.271 4.609 10 40 GJCB CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C\C=C/c1ccc([N+](=O)[O-])cc1 100302707 ZVLRRPQGJPIJSP-HFQAVTMXSA-N 375.428 4.983 10 40 GJCB COc1ccccc1N1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2C)C1=O 409060715 UIJOSFJOMQUBBQ-ZHZULCJRSA-N 394.496 4.845 10 40 GJCB Cc1cccc(N2C(=O)/C(=C/c3cc4ccccc4oc3=O)SC2=S)c1 409332859 SFJFELAKHAZXDE-BOPFTXTBSA-N 379.462 4.507 10 40 GJCB C=CCOc1ccc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc1OC 6613704 CYLRRSSGVPAXKW-UYRXBGFRSA-N 380.469 4.651 10 40 GJCB Cc1cc([C@@H]2NN=C(c3ccccc3)S2)c(C)n1-c1ccc([N+](=O)[O-])cc1 6961877 DVJKLBHXKDQRPM-HXUWFJFHSA-N 378.457 4.699 10 40 GJCB CC(C)Oc1cccc(NC(=S)NCCCN2CCCc3ccccc32)c1 225746682 SISMINPJYIEVGW-UHFFFAOYSA-N 383.561 4.603 10 40 GJCB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1cc(Cl)ccc1Cl 408997301 NPJFNYLMXJNJPL-NSIKDUERSA-N 383.325 4.890 10 40 GJCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O 409243448 WLOZDTYRYJRFBN-XSFVSMFZSA-N 379.504 4.694 10 40 GJCB COc1ccc2c(c1)c(=O)oc1c(C)c(OCc3ccc(C(=O)O)cc3)ccc12 2106989 RYAFDNHYHGHKLI-UHFFFAOYSA-N 390.391 4.540 10 40 GJCB biogenic CCN1/C(=C/C=C2\SC(=S)N(c3ccccc3)C2=O)Oc2ccccc21 4797777 KHCYVJJRVIYFQI-MZGHLJKDSA-N 380.494 4.696 10 40 GJCB Cc1ccc([C@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)C2CCCC2)o1 95462788 RQKVUUKSGDNFPD-HSZRJFAPSA-N 386.511 4.709 10 40 GJCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(OC)cc1 103919201 TYIVNOFIIXGVCW-QNGOZBTKSA-N 379.460 4.593 10 40 GJCB Cc1cc(/C=C2/Sc3ccccc3NC2=O)c(C)n1-c1ccc2c(c1)OCO2 409098170 NVRAUMGQAPDCDG-UFFVCSGVSA-N 390.464 4.908 10 40 GJCB Cc1cc(C(=O)[C@@H](C)Sc2nnc(N)s2)c(C)n1-c1ccc(Cl)cc1 3343828 KMAIPRILWBNXJI-LLVKDONJSA-N 392.937 4.545 10 40 GJCB Cc1cc([C@H]2NN=C(c3ccccc3)S2)c(C)n1-c1ccc2c(c1)OCO2 6961925 FXPCBAPIKTWGHI-NRFANRHFSA-N 377.469 4.520 10 40 GJCB COc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 218751052 YFBSMINBLPQVAH-CEXWTWQISA-N 396.531 4.576 10 40 GJCB CC1=NN(c2ccccc2C)C(=O)/C1=C/c1c(C)nn(-c2ccc(C)cc2)c1C 408757321 LZXRZCHQDNZETE-HYARGMPZSA-N 384.483 4.912 10 40 GJCB Cc1ccc(N[N+](=Nn2c(C)nc3ccccc3c2=O)c2ccc(C)cc2)cc1 408822681 RXXSXBLJUHTHBC-UHFFFAOYSA-N 384.463 4.908 10 40 GJCB COc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(C)c1 409033956 GOHFKQDLTIUTLQ-KPKJPENVSA-N 396.315 4.505 10 40 GJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 409168637 NJRFFPBBAXEHTD-HBUWYVDXSA-N 384.819 4.861 10 40 GJCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1cccc(Br)c1 5277162 VFEPUTYJCANZEA-BOPFTXTBSA-N 384.277 4.784 10 40 GJCB Cc1ccc(N2C(=O)/C(=C\c3coc4ccccc4c3=O)SC2=S)c(C)c1 409381122 FKLSRSBWUXXPNQ-VCHYOVAHSA-N 393.489 4.816 10 40 GJCB O=C(CCCN1C(=O)S/C(=C/c2ccccc2)C1=S)Nc1cccc(O)c1 1050351 XTEQZMVWHIPIEH-SFQUDFHCSA-N 398.509 4.648 10 40 GJCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(OC3CSC3)c1)N2 1085835 CYBLCGWUHVMXIL-LQWHRVPQSA-N 379.481 4.706 10 40 GJCB O=C1c2ccccc2C(=O)c2c(Nc3cccc(Br)c3)cccc21 4600898 SHCQPNBXDWIVTI-UHFFFAOYSA-N 378.225 4.968 10 40 GJCB CCc1ccc(O)c(/N=N/c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1 5877389 KVNQSBQDEDHSRG-QURGRASLSA-N 387.505 4.791 10 40 GJCB CCOc1ccc(N/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2C)cc1 17080179 GVDQGPKOBKZDSZ-UYRXBGFRSA-N 392.484 4.804 10 40 GJCB CCc1ccc(N2C(=O)/C(=C\c3cc(OC)ccc3OC)SC2=S)cc1 35039036 OVRJSMJADIYJJX-LDADJPATSA-N 385.510 4.672 10 40 GJCB Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C 65599044 ATFQQNVFBICSBG-UHFFFAOYSA-N 399.454 4.632 10 40 GJCB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S 409198075 WIORUNRQBOPSIQ-PDGQHHTCSA-N 380.494 4.902 10 40 GJCB CC1(C)C[C@](C)(c2ccc(O)cc2O)N(c2cccc(Cl)c2)C(S)=N1 8686021 CDQHRZRAMWXLIA-LJQANCHMSA-N 376.909 4.941 10 40 GJCB C[C@H]1Oc2ccccc2C=C1/C=C1/SC(=S)N(c2ccc(O)cc2)C1=O 9420001 UTUIWCBPDQJRKZ-MBNTZHJCSA-N 381.478 4.505 10 40 GJCB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 218687050 VUWBEOXGTKCJOT-PMACEKPBSA-N 380.532 4.876 10 40 GJCB Cc1ccc(C)n1N1C(=O)/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC1=S 409197014 ZVWLHEDSVBPFBO-QPEQYQDCSA-N 399.324 4.655 10 40 GJCB O=C(/C=C/c1cccc(Cl)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 5685345 GNBZEICLNNPCQP-VAWYXSNFSA-N 387.822 4.767 10 40 GJCB O=C1N=C(Nc2ccccc2Br)S/C1=C\C=C\c1ccco1 13811538 GOMBAULBTVDEFW-OXTPFRESSA-N 375.247 4.681 10 40 GJCB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)N=C2S1 20037284 DFWZPQPAQODOPE-VFTZQNCVSA-N 390.512 4.878 10 40 GJCB C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(c2ccc(O)cc2)C1=O 51330764 UTUIWCBPDQJRKZ-SJWFJVLYSA-N 381.478 4.505 10 40 GJCB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(SC)cc1 408770306 VWXJHABDSBJDJT-CPOQMQJTSA-N 393.508 4.842 10 40 GJCB COc1cc(C)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1C(C)C 409085528 SIQDNHHYXPUSOM-YQYFLZKSSA-N 391.558 4.507 10 40 GJCB Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 7423157 IGWDMIPUQVVXTO-UHFFFAOYSA-N 391.418 4.837 10 40 GJCB O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 12645828 FFPIUMLITGWPFI-PDGQHHTCSA-N 390.420 4.727 10 40 GJCB Cc1cccc(N[C@H](c2cccnc2)c2cc(Cl)c3cccnc3c2O)n1 45944563 ZJJIHNSLPQUSGC-LJQANCHMSA-N 376.847 4.894 10 40 GJCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3)N21 222690146 YYKZZKGHDLHOPF-JRGCBEDISA-N 378.545 4.661 10 40 GJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 409160860 XNDCVYXZEJKOQZ-FMTVUPSXSA-N 384.819 4.861 10 40 GJCB C[C@@H]1Oc2ccccc2C=C1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 1182271 LKLNVJSWQQXHKA-AUQXIXNCSA-N 393.533 4.838 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1Cl 6672326 LZTXORKZJANVTP-OVCLIPMQSA-N 379.865 4.894 10 40 GJCB Cc1[nH]c(=N)sc1/N=N\c1ccc(Br)cc1Br 104128641 IPIRUFZVWRRUNH-NXVVXOECSA-N 376.077 4.804 10 40 GJCB COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 226731664 LHCOLEJQIBOSJN-LVCYWYKZSA-N 382.891 4.543 10 40 GJCB COc1cccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(O)cc3)C2=O)c1 408752605 IRHXZEJFNZFGEF-PXLXIMEGSA-N 384.435 4.544 10 40 GJCB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cccc(Cl)c1 408770369 WQGVEDMTCQVXEK-RMENWYJGSA-N 381.859 4.774 10 40 GJCB Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccn1 408968063 ZGHKLBBIQKXBKM-QGOAFFKASA-N 375.453 4.730 10 40 GJCB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(SC)cc1 409021855 CFLRDHGEAUROFE-MOSHPQCFSA-N 393.508 4.903 10 40 GJCB CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc3c2C(=O)c2ccccc2-3)cc1 3997648 WMFUJKIIMZITFX-UHFFFAOYSA-N 391.492 4.996 10 40 GJCB Cc1cc2oc(=O)c(Cc3ccccc3)c(C)c2c(O)c1CN1CCC[C@@H](C)C1 20290767 ICMSVXKABUIKEH-MRXNPFEDSA-N 391.511 4.938 10 40 GJCB Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)c1 222744915 QMZXYJIUORORAC-FCHUYYIVSA-N 390.556 4.708 10 40 GJCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)cc3C)N21 260762684 HDPNXQQEDUUBRD-WTNAPCKOSA-N 392.572 4.970 10 40 GJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccccc2C(=O)O)c1C 408903239 WEMSDWHTKWIKLG-KGENOOAVSA-N 399.450 4.598 10 40 GJCB Cc1ccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1C 6390892 CNRCFTHSVKISMA-QFIPXVFZSA-N 397.588 4.747 10 40 GJCB COc1ccc2ccc(O)c(CN(C)Cc3ccccc3N3CCCC3)c2c1 8193921 RPDOUJQOEAISPE-UHFFFAOYSA-N 376.500 4.786 10 40 GJCB Oc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)cc1 10215403 AVJQABJNILUNCY-TZIWHRDSSA-N 377.831 4.683 10 40 GJCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Cl)cc(Cl)c3O)C2=O)cc1 83318109 XXCIQPGJCOBXNN-NTUHNPAUSA-N 391.210 4.514 10 40 GJCB CCN(CC)S(=O)(=O)c1ccc(/N=N/c2cc(O)cc3ccccc23)cc1 103435542 HSYKBOKNKRVIHM-QURGRASLSA-N 383.473 4.991 10 40 GJCB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 218972884 QYHDTIDSPIUPFO-VQTJNVASSA-N 380.532 4.876 10 40 GJCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C 222738170 METCNPCYPGEDSP-FCHUYYIVSA-N 390.556 4.654 10 40 GJCB O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(/N=N\c2ccccc2)cc1 409378168 NAEBJANBWSYDHY-FCQUAONHSA-N 390.355 4.961 10 40 GJCB Cc1cc(C)c2c(N)c(C(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)oc2n1 6661765 RZOBEIARVVVRHJ-UHFFFAOYSA-N 377.419 4.804 10 40 GJCB Cc1cc(C)cc(OCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 218693959 KEBWAWHDMXPYDX-HXUWFJFHSA-N 380.532 4.796 10 40 GJCB Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 227148168 SZQQIAJPXOSSFQ-ZRDIBKRKSA-N 383.245 4.943 10 40 GJCB CCOc1ccccc1/C=C1\C(=O)N(c2ccc(C)c(C)c2)C(C)=C1C(=O)OC 408770144 UACROURPXQEFCG-ZHZULCJRSA-N 391.467 4.579 10 40 GJCB COc1ccc(C2=N/C(=C/c3ccc(C)cc3)C(=O)N2c2ccc(O)cc2)cc1 408841481 HGUGNNXHZRIJQI-PXLXIMEGSA-N 384.435 4.544 10 40 GJCB Cc1cc([C@H]2NN=C(c3ccccc3)S2)c(C)n1-c1ccc(N(C)C)cc1 6961715 VZKCXWJEBIANDL-QFIPXVFZSA-N 376.529 4.857 10 40 GJCB O=C1/C(=C\c2ccc3cccc(Cl)c3n2)SC(=S)N1Cc1ccco1 9053061 BUWHTYBSOMVWHH-OQLLNIDSSA-N 386.885 4.883 10 40 GJCB COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccccc3)C2=O)cc1OC 409000995 OHTYFRDRRABAJG-RCCKNPSSSA-N 398.462 4.847 10 40 GJCB C[C@H]1Cc2cc(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)ccc2O1 16810381 WHJXWLVCNUSNND-ICLFIUAQSA-N 381.522 4.972 10 40 GJCB Oc1c([C@H](c2ccc(Cl)cc2)N2CCOCC2)cc(Cl)c2cccnc12 24303288 DCTAYAHGXNQCJD-IBGZPJMESA-N 389.282 4.669 10 40 GJCB COc1ccc(NCc2cc(Br)cc(Br)c2O)cc1 72176011 RGEGGYARJAEIEK-UHFFFAOYSA-N 387.071 4.538 10 40 GJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1nc2ccc(C)cc2s1 101128521 FDCIUUIVDVDDQU-XNTDXEJSSA-N 382.876 4.977 10 40 GJCB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)n1-c1ccccc1 222943536 YDLWQKLMLMVQDW-VXKWHMMOSA-N 390.556 4.809 10 40 GJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)C(C(=O)OC)=C2C)cc1 408765965 CBVUYRAYUJJSBF-UYRXBGFRSA-N 397.858 4.616 10 40 GJCB Cc1ccc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)N=C2O)s1 9058653 BMFVJUHCULECMA-MDWZMJQESA-N 380.347 4.582 10 40 GJCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(Br)s1 32772565 ZHWQZRIIGWKFLS-UHFFFAOYSA-N 393.350 4.773 10 40 GJCB O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)cc1F 58704666 ULVKXUDPBJKJON-UHFFFAOYSA-N 386.832 4.543 10 40 GJCB Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] 260466288 MDIWJXGAOBCWGU-DOTOQJQBSA-N 381.476 4.631 10 40 GJCB Cc1cccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccc(O)cc2)c1 408757544 ZPFRSOFDVCNNMS-XQNSMLJCSA-N 397.478 4.601 10 40 GJCB Cc1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1C 3361455 BALVJLFGDXPQFB-UHFFFAOYSA-N 394.446 4.646 10 40 GJCB Oc1c([C@@H](c2ccccc2)N2CCN(c3ccccc3)CC2)ccc2cccnc12 4863903 ZPQFOQOPYUYODL-RUZDIDTESA-N 395.506 4.852 10 40 GJCB Cc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)c(C)n1-c1ccccn1 84081387 JTCHFFYRFHVPIF-UHFFFAOYSA-N 375.350 4.640 10 40 GJCB Cc1ccc(C)c2c(C)c(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)oc12 84147901 NKBAAQADYOEZON-IBGZPJMESA-N 393.483 4.885 10 40 GJCB Cc1ccc(NC2=NC(=O)/C(=C/c3cn(CC#N)c4ccccc34)S2)cc1C 6256208 HPLMRPAFKJFEEB-NDENLUEZSA-N 386.480 4.864 10 40 GJCB COc1ccc(-c2coc3c(CN4CCCCCC4)c(O)ccc3c2=O)cc1 20358633 XMTHQGHMGRJCNY-UHFFFAOYSA-N 379.456 4.550 10 40 GJCB biogenic CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 222988070 IRPJSSMYAINECO-YADHBBJMSA-N 390.556 4.953 10 40 GJCB O=C(CSCc1ccc(Cl)cc1F)NCc1ccc(N2CCCC2)cc1 223060516 LVFFJQYWEGVCTP-UHFFFAOYSA-N 392.927 4.629 10 40 GJCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)COc3cccc(Cl)c3)cc2)C1 260616331 IMYFLPNMOPMCIP-IRXDYDNUSA-N 386.923 4.833 10 40 GJCB Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2ccccc2Cl)c1 408648820 ZXJIFCKSIIHPDR-UHFFFAOYSA-N 382.847 4.543 10 40 GJCB CC1=CSC2=NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C(=N)N12 17172961 WMMQCHJDFONXRX-FZOVEGBXSA-N 390.512 4.878 10 40 GJCB Cc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 219288973 HGTNFZVNRKAMFJ-PMACEKPBSA-N 380.532 4.876 10 40 GJCB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)n1-c1ccccc1 222943473 YDLWQKLMLMVQDW-FCHUYYIVSA-N 390.556 4.809 10 40 GJCB COc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260732788 BFABXBHHTBUAGU-IRXDYDNUSA-N 383.561 4.979 10 40 GJCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1ccc(C)c([N+](=O)[O-])c1 408531421 KMHSDBACLAROFF-YBEGLDIGSA-N 384.823 4.584 10 40 GJCB CCN1C(=O)N/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 4516846 HBHNMGQRAOXIGC-XDHOZWIPSA-N 393.874 4.564 10 40 GJCB CN(C)c1ccc(/C=C/c2cccc(/C=C/c3ccc(N(C)C)cc3)[n+]2[O-])cc1 8672808 UEIGXMGVPPDAIP-KLCVKJMQSA-N 385.511 4.793 10 40 GJCB COc1ccc(C2=C/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)O2)cc1 59425971 GGCSMBNWZQZFGH-VBKFSLOCSA-N 389.363 4.845 10 40 GJCB CCc1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 218956815 XXICSNDSFIKICD-RTBURBONSA-N 380.532 4.742 10 40 GJCB CCOc1cc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc(Cl)c1O 1084662 GEQYZPRJTDCPHI-RQZCQDPDSA-N 384.863 4.867 10 40 GJCB Oc1ccc(Cl)cc1CNc1ncc(Br)cc1Br 18322509 SBGFBCFMFJCPNC-UHFFFAOYSA-N 392.478 4.578 10 40 GJCB Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1[N+](=O)[O-] 260467424 UUMBKCJQKLUJIZ-DOTOQJQBSA-N 381.476 4.631 10 40 GJCB CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 871771 IKLGKAYKRLAFHQ-MRUHUIDDSA-N 394.427 4.607 10 40 GJCB CCN(CC)Cc1c(O)ccc2cc(-c3nc4ccccc4s3)c(=O)oc12 1168240 GFQUYBNUNMCHCH-UHFFFAOYSA-N 380.469 4.617 10 40 GJCB biogenic CC(=O)Nc1ccc(-c2nc3c4c(ccc3s2)C(=O)c2ccccc2C4=O)cc1 3845278 UCXCZNTYGTYKEL-UHFFFAOYSA-N 398.443 4.697 10 40 GJCB biogenic CCCCc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)cc1 5552050 VILDXGIINBSXNH-ZCXUNETKSA-N 394.521 4.757 10 40 GJCB CCOc1ccc(NC2=NC(=O)/C(=C\c3ccc(Br)o3)S2)cc1 5931090 JHLJCFCFHARMOL-UKTHLTGXSA-N 393.262 4.523 10 40 GJCB COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)NC1=O 409350369 RHYKTMKMLHSVBP-LSCVHKIXSA-N 385.554 4.652 10 40 GJCB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 223258373 KRWICVFZJKYPSA-UHFFFAOYSA-N 394.905 4.663 10 40 GJCB COc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccccc3)C2=O)cc1 408761347 ISHBLZKPTXSTIY-CJLVFECKSA-N 384.435 4.538 10 40 GJCB Cc1cccc(-n2c(/C=C/c3ccc(N(C)C)cc3)nc3ccccc3c2=O)c1 4785255 CEUVFMNKHSTPCQ-DTQAZKPQSA-N 381.479 4.931 10 40 GJCB CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S 5374229 BKCVHGHFSNVAFN-BYDWFYRMSA-N 377.531 4.511 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(F)cc1 105939988 KEJRPJOLTMZXGV-MOSHPQCFSA-N 379.431 4.710 10 40 GJCB COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 226728220 GQWLRWQSMNRAFV-WOIUINJBSA-N 396.918 4.933 10 40 GJCB CC(C)n1cc(C=C2C(=O)OC(C)(c3ccccc3)OC2=O)c2ccccc21 680625 DZGBTRZCVPPEMK-UHFFFAOYSA-N 375.424 4.579 10 40 GJCB O=C1/C(=C/c2ccccc2F)SC(=S)N1CNc1ccc(Cl)cc1 5583311 FQRNVVBQIVPXQN-DHDCSXOGSA-N 378.881 4.750 10 40 GJCB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(C)Cc3ccccc3O)c12 53916373 BPDDVXKJJLGFJR-UHFFFAOYSA-N 394.519 4.596 10 40 GJCB CCCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OC 409338484 KVSDGTZICYSMHP-CPNJWEJPSA-N 399.537 4.885 10 40 GJCB O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1ccc(O)cc1 1297973 OHKREJASTSGPOU-ZROIWOOFSA-N 392.299 4.561 10 40 GJCB COc1ccc(/C=C2/SC(=S)N(CNc3c(C)cccc3C)C2=O)cc1 14921513 YZHWEZWIEHBBPO-GZTJUZNOSA-N 384.526 4.583 10 40 GJCB Cc1cc(Cl)ccc1-n1c(C)cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c1C 20037324 OIUQNTDDRWJTCJ-OXMFYWCOSA-N 396.903 4.833 10 40 GJCB COc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 219501998 JDZULWSARDUKLS-RBUKOAKNSA-N 396.531 4.576 10 40 GJCB Cc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccccc2)cc1 408762900 CIYXKURBFQLGJP-RCCKNPSSSA-N 382.419 4.528 10 40 GJCB Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 1633910007 UOWGVBTXDHDJCX-AWEZNQCLSA-N 382.410 4.676 10 40 GJCB O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1Cc1ccccc1 5172492 GRQDLTRHEJQBRL-DHDCSXOGSA-N 390.873 4.650 10 40 GJCB Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1 15013176 SFWMMZCFLPUBBI-UDWIEESQSA-N 391.858 4.845 10 40 GJCB COc1ccc(-c2coc3c(CN4CCCC[C@H]4C)c(O)ccc3c2=O)cc1 20411728 PYJVKFYMNGEDKC-OAHLLOKOSA-N 379.456 4.549 10 40 GJCB biogenic CCN(CC)c1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(OC)c1 222604300 CIYDLICFNYSYRJ-RVHYNSKXSA-N 396.560 4.526 10 40 GJCB CCn1c(C)cc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c1C 686546 XMWSFXQAQZPDHN-CAOOACKPSA-N 392.286 4.525 10 40 GJCB Oc1ccc(Br)cc1[C@H]1CC(c2ccccc2)=N[C@@H](c2ccco2)N1 5027373 QXHILNQOTGWIEY-YLJYHZDGSA-N 397.272 4.970 10 40 GJCB CC(C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 60512737 POHGKYZXDFSNBD-UYRXBGFRSA-N 398.553 4.946 10 40 GJCB Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] 217942285 MDIWJXGAOBCWGU-WBVHZDCISA-N 381.476 4.631 10 40 GJCB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 6950516 YKTMGXJAGUUQLA-PJIJBLCYSA-N 384.819 4.861 10 40 GJCB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1Nc1nc2ccccc2s1 9914680 FBILODKMINIUQW-ZROIWOOFSA-N 387.486 4.664 10 40 GJCB COc1ccc(N2CCOCC2)c(NC(=O)c2cccc3c(Cl)cccc23)c1 20528894 LJGKQJAEOWCCSW-UHFFFAOYSA-N 396.874 4.591 10 40 GJCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2ccncc2)nc2ccccc12 28494729 YQGIZTQCQNBDOW-UHFFFAOYSA-N 396.494 4.635 10 40 GJCB COC(=O)c1ccc([C@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@@H]3C=CC[C@H]23)cc1 43769629 QYZDSMOCENWUBF-QWQRMKEZSA-N 383.831 4.651 10 40 GJCB Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)c1 222744367 WOYCRHPAYNOLON-FCHUYYIVSA-N 390.556 4.708 10 40 GJCB Cc1oc2ccc(O)c(CN3CCC(C)CC3)c2c1C(=O)Nc1ccccc1 5182623 QKBWXSVQVOOCRC-UHFFFAOYSA-N 378.472 4.931 10 40 GJCB O=C(COC(=O)c1ccc(Cl)nc1)Nc1ccc(/N=N/c2ccccc2)cc1 10806632 WLCCJSHXYLTLJQ-OCOZRVBESA-N 394.818 4.946 10 40 GJCB O=C1c2ccccc2C(=O)c2c1oc1c3c(ccc21)OCN(Cc1ccccc1)C3 19863948 MWMQMUHUWRZQAZ-UHFFFAOYSA-N 395.414 4.560 10 40 GJCB biogenic C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCCCC2)cc1 224852683 JBIQBMSWZRRIKN-IBGZPJMESA-N 392.543 4.639 10 40 GJCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3cccc(Cl)c3)cc2)C1 260616329 IMYFLPNMOPMCIP-DLBZAZTESA-N 386.923 4.833 10 40 GJCB COc1ccc(-c2ccc(CCC(=O)O)n2CCOc2ccccc2C)cc1 409369231 AEBBHQPTJAEPTL-UHFFFAOYSA-N 379.456 4.568 10 40 GJCB Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1C(F)(F)F 924734 IWOVRPULITWYBF-UHFFFAOYSA-N 391.418 4.837 10 40 GJCB CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(O)=NC1=S 6938208 NQAHGLDYVUVIDJ-DHZHZOJOSA-N 395.267 4.740 10 40 GJCB COc1cccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c1OC 13712090 POZVGBTUGLXMHZ-DHDCSXOGSA-N 391.901 4.763 10 40 GJCB Cc1ccc(COc2ccc(Cl)cc2/C=C2\SC(=S)NC2=O)cc1 15055783 HAAYFEJFWDJBJB-SXGWCWSVSA-N 375.902 4.716 10 40 GJCB CCc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(C)=C2C(=O)OC)cc1 409066962 IJMPTIZUTDTGCA-UNOMPAQXSA-N 381.859 4.780 10 40 GJCB Oc1ccc(Br)cc1CNc1ccc(Br)cc1F 44836228 SPLSGNVEUKGZRW-UHFFFAOYSA-N 375.035 4.668 10 40 GJCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C 222782496 YQEJXTXVQXTNCP-FGZHOGPDSA-N 390.556 4.790 10 40 GJCB COc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260577513 BGDBOYFXVSKWRW-IPMKNSEASA-N 396.531 4.576 10 40 GJCB COc1ccc(OC)c(C2=C/C(=C/c3ccc(Cl)cc3Cl)C(=O)O2)c1 408721923 BJQRPQISAFTAHB-GHXNOFRVSA-N 377.223 4.992 10 40 GJCB Cc1cc(C(=O)COC(=O)c2c(F)cccc2F)c(C)n1-c1cccc(F)c1 5401975 HJBVZYNTYUAIRD-UHFFFAOYSA-N 387.357 4.551 10 40 GJCB COc1ccc(/C=C2/SC(=S)N(c3cc(C)ccc3C)C2=O)c(OC)c1 35039014 AWLVAMHOPUPZNE-VCHYOVAHSA-N 385.510 4.726 10 40 GJCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(F)cc1 59959238 AHVSMQDVHFPVCP-MOSHPQCFSA-N 379.431 4.826 10 40 GJCB CCN1C(=O)/C(=C2\C=Cc3cc(C)ccc3N2CC)N(c2ccccc2)C1=S 101955770 KVQAWYJMVWXHFG-MRCUWXFGSA-N 389.524 4.713 10 40 GJCB COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(F)cc3)C2=O)cc1 408755330 KFDLHEVRQYGTEV-KGENOOAVSA-N 390.389 4.808 10 40 GJCB CCN1/C(=C2\SC(=S)N(C3CCCCC3)C2=O)Sc2ccccc21 3145646 IYITTYJTEIDKJJ-BMRADRMJSA-N 376.572 4.981 10 40 GJCB CCCC(=O)Nc1ccc(C(=O)CSc2ncc(-c3ccccc3)n2C)cc1 6589816 YUYUIJATOZQHML-UHFFFAOYSA-N 393.512 4.801 10 40 GJCB CCN(CC)c1ccc(CNC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 225258712 CZWAIRNUCJWETI-SFHVURJKSA-N 376.500 4.770 10 40 GJCB Oc1c([C@H](c2ccccc2Br)N2CCCC2)ccc2cccnc12 4190070 SIGYUTQWOLIIOK-IBGZPJMESA-N 383.289 4.888 10 40 GJCB CN(C)c1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 408762896 LRANLMAJYUEVAT-CJLVFECKSA-N 385.442 4.726 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(C)cc1 408891561 AEZVAQINHLUYMN-UYRXBGFRSA-N 381.859 4.916 10 40 GJCB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCc1c[nH]c2ccccc12 604406328 JJZASEBVCWATKQ-UHFFFAOYSA-N 390.442 4.937 10 40 GJCB biogenic CCCCc1ccc(NC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)cc1 4748724 PBDCRMLFVYALLT-UHFFFAOYSA-N 398.462 4.639 10 40 GJCB CCN(CC)c1ccc(/C=C2\SC(=S)NC2=O)c(OCc2ccccc2)c1 117933691 WXNNHKKDNTUWFG-UNOMPAQXSA-N 398.553 4.601 10 40 GJCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)cc3C)N21 260762688 HDPNXQQEDUUBRD-YHYVQYDKSA-N 392.572 4.970 10 40 GJCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(C(C)C)cc1 408999263 UJJAQGUVEMWGMV-AQTBWJFISA-N 379.431 4.826 10 40 GJCB COc1ccc(OC)c(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)c1 1294211 NLIVITSAHAYXHA-WQRHYEAKSA-N 385.510 4.726 10 40 GJCB Cc1cccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1C 6804331 STLVFEXXEZFXGY-UHFFFAOYSA-N 392.499 4.570 10 40 GJCB COc1cc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccsc2)ccc1O 10215492 XIXKRWXSECZWSH-LAUBAEHRSA-N 378.453 4.705 10 40 GJCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3C)N21 222676290 HDPNXQQEDUUBRD-ZPMCFJSWSA-N 392.572 4.970 10 40 GJCB Cc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc2c1O[C@@H](C)C2 8917404 FTITUMRZRLXUEW-CCNLRRDASA-N 395.549 4.762 10 40 GJCB COc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260577509 BGDBOYFXVSKWRW-GBESFXJTSA-N 396.531 4.576 10 40 GJCB COc1ccc(N2C(=O)/C(=C/C3=Cc4ccccc4O[C@H]3C)SC2=S)cc1 6455716 NOBMVPDXNQTXRR-QXGSTRBFSA-N 395.505 4.808 10 40 GJCB CC(C)=CCc1c(O)c(O)c2oc3c(O)ccc(O)c3c(=O)c2c1CC=C(C)C 14727662 SHZLJVCQGYKZLS-UHFFFAOYSA-N 396.439 4.786 10 40 GJCB biogenic,in-vitro Cc1cc(/C=C2\NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1 409223860 GBRZHPRLKMZFEQ-MOSHPQCFSA-N 391.858 4.845 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(C)c1 14406668 KDDVDBQRFYYSLN-UYRXBGFRSA-N 381.859 4.916 10 40 GJCB COc1ccc(N2C(=O)/C(=C\c3ccccc3OC(C)C)SC2=S)cc1 58602516 SVRDTWUGQIOHTN-LDADJPATSA-N 385.510 4.888 10 40 GJCB CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)OC(C)(C)C)cc1 102957450 BJHFKWLEPHLHKP-GHVJWSGMSA-N 383.448 4.667 10 40 GJCB CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C 222738110 METCNPCYPGEDSP-YADHBBJMSA-N 390.556 4.654 10 40 GJCB COc1cc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccs2)ccc1O 248126367 GHOXFWFQDUSHAB-KKSFZXQISA-N 378.453 4.705 10 40 GJCB CCOc1cccc2c1O[C@H](c1ccco1)N1N=C(c3ccccc3O)C[C@H]21 10215916 JRAKMLXXLKDSLP-VGOFRKELSA-N 376.412 4.626 10 40 GJCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)c(F)c3)N21 260753164 BOOFUGNAHNOUQS-HBGVWJBISA-N 396.535 4.800 10 40 GJCB Cc1cccc(C)c1-n1c(C)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c1C 409221321 OMGNPQICCIBOPB-HYARGMPZSA-N 399.494 4.804 10 40 GJCB O=C1/C(=C/NCc2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccccc1 104050729 DIMHDHXIAXQQQC-LTGZKZEYSA-N 387.870 4.765 10 40 GJCB O=C1c2ccccc2C(=O)c2c1ccc(NC(=O)c1c(F)cccc1F)c2Cl 4965720 DBSIUOXCJDKGQZ-UHFFFAOYSA-N 397.764 4.646 10 40 GJCB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S 5374230 BKCVHGHFSNVAFN-OWVQJKNFSA-N 377.531 4.511 10 40 GJCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 6348222 MNBMPUGFFFZLKW-ZROIWOOFSA-N 380.271 4.609 10 40 GJCB COc1ccc(OC)c(/C=C2\C(=O)N(c3cc(Cl)cc(Cl)c3)N=C2C)c1 12412830 PQVGACHCGGGMCS-IDUWFGFVSA-N 391.254 4.817 10 40 GJCB COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1 13547625 LLODAVMLOQEJTO-YBEGLDIGSA-N 391.901 4.763 10 40 GJCB COc1cccc(/C=C2\SC(S)=NC2=O)c1OCc1ccccc1Cl 17080045 NREQLQQFKAWEDP-DHDCSXOGSA-N 391.901 4.828 10 40 GJCB CN(C)c1ccc(/C=C(/c2nc3ccccc3[nH]2)C(F)(F)F)cc1[N+](=O)[O-] 59488912 BHWYJPXHCLDXFS-XFXZXTDPSA-N 376.338 4.640 10 40 GJCB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N(CC)CC)cc1 224024878 NMXIYMGGRUCFQT-XMMPIXPASA-N 394.559 4.885 10 40 GJCB COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccccc3)C2=O)c(OC)c1 5513224 ZSYDPAZCWBOQQZ-RCCKNPSSSA-N 384.435 4.538 10 40 GJCB CCOc1ccc(N2C(=O)/C(=C\c3cn(C)c4ccccc34)SC2=S)cc1 5890635 BWOOFUNAEHEKKZ-XDHOZWIPSA-N 394.521 4.983 10 40 GJCB CCCC1=NN2C(=N)/C(=C/c3cccn3-c3c(C)cccc3C)C(=O)N=C2S1 41083367 RNXIWZLABIKXDJ-PALNNIJKSA-N 391.500 4.513 10 40 GJCB COc1ccc(/C=C2/SC(=S)N(CNc3ccccc3Cl)C2=O)cc1 408719068 IIYGADLNGAPSQZ-MHWRWJLKSA-N 390.917 4.619 10 40 GJCB Cc1cccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2)c1 408751727 BXVARFOAYFRTAM-HAVVHWLPSA-N 381.479 4.896 10 40 GJCB Cc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)n1C1CC1 409131991 OAHFJPVJEDIURB-UYRXBGFRSA-N 382.554 4.884 10 40 GJCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 409342745 GGOYRCYFABSRIL-ZHZULCJRSA-N 394.565 4.997 10 40 GJCB COc1ccc(C2=NN(C(=O)/C=C/c3ccccc3)[C@@H](c3ccccc3)C2)c(O)c1 1279863 QMDBMRNDDPWKEL-MEWQITQSSA-N 398.462 4.792 10 40 GJCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(F)c1 14406660 BBDMPKYUYMULSD-PDGQHHTCSA-N 385.822 4.746 10 40 GJCB Cc1cc(CNC(=O)c2ccc3c(c2)nc(Cl)n3C)c(C)n1-c1ccccc1 222564076 AHZOOZRETVGLIV-UHFFFAOYSA-N 392.890 4.564 10 40 GJCB Cc1oc2ccc(O)c(CN3CCC[C@H](C)C3)c2c1C(=O)NCc1ccccc1 5182605 ZCZRACPSXMOSGE-INIZCTEOSA-N 392.499 4.609 10 40 GJCB CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(N(CC)CC)cc3)C(=O)N=C2S1 5516605 IOVWNNSBRUGNPV-GQCVOSMTSA-N 397.548 4.588 10 40 GJCB COC(=O)c1ccc2c(c1C)N[C@H](c1cccc(OC)c1OC)[C@@H]1CC=C[C@H]21 6960423 BXXKVDWPGCXYKA-MRUHUIDDSA-N 379.456 4.625 10 40 GJCB Cc1ccnc(N[C@@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)c1 45944534 SNPICOGPHQKZKN-LJQANCHMSA-N 376.847 4.894 10 40 GJCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(F)c3)N21 222676767 BOOFUGNAHNOUQS-ORYQWCPZSA-N 396.535 4.800 10 40 GJCB O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2F)N1c1ccc(O)cc1 98035192 XHCVEUVZRGAEGQ-DEDYPNTBSA-N 376.362 4.505 10 40 GJCB Cc1ccc(C(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1C 1346195 QKGVVOZDJPYGMI-UHFFFAOYSA-N 391.452 4.983 10 40 GJCB CCOc1ccc(Cc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1OCC 1421975 JAFNQEZLAPQZKB-UHFFFAOYSA-N 389.455 4.916 10 40 GJCB COc1ccc(OC)c(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)c1 12032510 UUMYREWJOVDWMT-RNEAKCBISA-N 385.510 4.666 10 40 GJCB CC1=CC2=NC(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=N)N2O1 20236953 PHXBVBCJWUYDID-WAJQDEFNSA-N 394.862 4.506 10 40 GJCB O=C1/C(=C/c2ccccc2Br)SC(=S)N1c1ccccc1 3040810 FYXSCLZOVIXXMQ-UVTDQMKNSA-N 376.300 4.855 10 40 GJCB COc1ccc(N2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)c(OC)c1 5371882 SFMNPJFKTWUMIG-SXGWCWSVSA-N 391.901 4.763 10 40 GJCB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NNC(=S)Nc1ccc(Cl)cc1 16183677 FJMSMYDZNNDVCQ-UHFFFAOYSA-N 390.774 4.581 10 40 GJCB CCOC(=O)c1cccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)c1 27644742 FAXDYHYYJZFJIL-NRFANRHFSA-N 399.450 4.714 10 40 GJCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)C(=O)N=C3O)c2C)cc1 33538823 TWTJKVNHLJPUNO-KGENOOAVSA-N 399.450 4.909 10 40 GJCB O=S(=O)(Nc1ccc(O)c2ccccc12)c1ccc2c3c(cccc13)CC2 226861757 FOEOAWHIZPKBDJ-UHFFFAOYSA-N 375.449 4.598 10 40 GJCB COc1ccccc1C1=N/C(=C/c2ccc(F)cc2)C(=O)N1c1cccc(C)c1 408841337 GJNBSMWZYZVWLS-RCCKNPSSSA-N 386.426 4.977 10 40 GJCB O=C1NC(=S)S/C1=C\c1ccccc1OCc1cccc2ccccc12 2772255 ZYUCPSFLJIQNBA-UNOMPAQXSA-N 377.490 4.908 10 40 GJCB CC(C)Oc1cc2c(c([N+](=O)[O-])c1)C=C[C@@]1(O2)N(C)c2ccccc2C1(C)C 5093390 OFJPEKAZUUKQJQ-QFIPXVFZSA-N 380.444 4.912 10 40 GJCB COc1ccc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)c(OC)c1 12032499 HZJGSOFWAIFHNG-VBEHJTROSA-N 385.510 4.666 10 40 GJCB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N3CCCC3)c(Cl)c2)S1 222638764 RFUMPHHEJSWRQP-XMCHAPAWSA-N 398.963 4.925 10 40 GJCB CCCOc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 409348427 SRAXCCOJNBPREZ-ZDLGFXPLSA-N 399.493 4.610 10 40 GJCB COc1ccc(N2C(=O)/C(=C/C=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 5214860 WGQTUSAFXFZEHI-FKJKDRHESA-N 398.465 4.565 10 40 GJCB CCOc1ccc(/C=C2/SC(Nc3ccc(F)c(Cl)c3)=NC2=O)cc1 8323841 IWKPMWVNGJWSBO-CXUHLZMHSA-N 376.840 4.960 10 40 GJCB CCCOc1ccccc1/C=C1/C(=O)N(c2ccc(C)cc2C)C(=O)N=C1O 59860394 UTNFTYJNAVWOHS-GHRIWEEISA-N 378.428 4.599 10 40 GJCB O=C1N=C(NC2CCCCC2)S/C1=C\c1csc(-c2ccsc2)n1 96401846 XUCLGGCKHNUHFK-ZSOIEALJSA-N 375.544 4.764 10 40 GJCB COC(=O)c1ccc(/C=C2/N=C(c3ccccc3)N(c3cccc(C)c3)C2=O)cc1 408763444 FEEQSQIJEOGETB-CJLVFECKSA-N 396.446 4.616 10 40 GJCB CCCOc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 2677974 QJNSVEGKLZEOMF-CYVLTUHYSA-N 383.538 4.919 10 40 GJCB COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 5055090 YRMCLHXPGZTCAA-GDNBJRDFSA-N 389.885 4.532 10 40 GJCB COc1ccc(Oc2coc3c(CN4CCC[C@@H](C)C4)c(O)ccc3c2=O)cc1 5185281 WMLNZZILBDNROI-OAHLLOKOSA-N 395.455 4.531 10 40 GJCB Cc1ccc(COc2ccc(/C=C3\SC(N4CCCC4)=NC3=O)cc2)cc1 9188845 JATNIEYILWSYKC-ZHZULCJRSA-N 378.497 4.640 10 40 GJCB COc1cc2c(cc1NCC(=O)Nc1cc(C)ccc1OC)oc1ccccc12 11619192 GZCYTLIMXOPHHW-UHFFFAOYSA-N 390.439 4.962 10 40 GJCB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2/SC(=O)N(C(C)C)C2=O)c1C 409021493 KGWCMGFJAONYCN-VCHYOVAHSA-N 398.484 4.545 10 40 GJCB Cc1cc(C(=O)[C@H](C)Sc2cccc[n+]2[O-])c(C)n1-c1ccc(Cl)cc1 2664142 VHWPNWBMMFUPHG-HNNXBMFYSA-N 386.904 4.744 10 40 GJCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)C1CCN(C(=O)C2CC2)CC1 14862400 YFXUVPIXYMXMNF-OCOZRVBESA-N 376.460 4.689 10 40 GJCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccccc1Cl 4551061 CZNWGHYUVNDQSN-PDGQHHTCSA-N 381.859 4.521 10 40 GJCB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)c1ccc(F)cc1 5059544 RDCZEQPLLFPPES-UHFFFAOYSA-N 381.388 4.506 10 40 GJCB O=C1NC(=S)S/C1=C\c1c(OCc2ccccc2)ccc2ccccc12 2785384 QOBNVWQVZBRARL-UNOMPAQXSA-N 377.490 4.908 10 40 GJCB Cc1cc(C(=O)[C@H](C)Sc2nnc(C)n2C2CC2)c(C)n1-c1ccccc1 6993369 ZNONNJPTONPFHP-HNNXBMFYSA-N 380.517 4.692 10 40 GJCB Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1 16441106 PTSNMKASSHJFJU-OQLLNIDSSA-N 390.873 4.962 10 40 GJCB Cc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 683129 FDMOYXDEVRCVPQ-UHFFFAOYSA-N 385.872 4.680 10 40 GJCB Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccccc3[N+](=O)[O-])c(O)c2n1 6614237 NGFANJMUYJCQEL-NRFANRHFSA-N 386.411 4.754 10 40 GJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccccc1Cl 13549098 KHDNZOQBUAMUSH-UVTDQMKNSA-N 390.668 4.821 10 40 GJCB CS(C)(=O)=Nc1cccc2c1C(=O)c1cccc(Oc3ccccc3)c1C2=O 85409349 KJOUJCHBZKEJKR-UHFFFAOYSA-N 391.448 4.613 10 40 GJCB