smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(F)c([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 659952 WAJVMPHKGNJCRO-WMZOPIPTSA-N 363.396 2.189 50 40 FEGB O=C(N/N=C/c1cccc(O)c1)C(=O)Nc1cccc(Br)c1 59434236 MGNCEZLATDEFFJ-RQZCQDPDSA-N 362.183 2.244 50 40 FEGB Cc1cccc(/C=N\NC(=O)c2nn(-c3ccccc3)c(=O)c(C#N)c2C)c1 409062639 YDZADARECOIDAI-QRVIBDJDSA-N 371.400 2.485 50 40 FEGB COC(=O)N1CC=C2[C@@H](C1)[C@@H](c1cccc(C)c1)C(C#N)=C(N)C2(C#N)C#N 4473586 ZQSHQNSCVIUNIC-AEFFLSMTSA-N 373.416 2.487 50 40 FEGB N#C/C(=C/c1cccc(OCC(N)=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 409226795 XATNDHDATKXNFN-QPEQYQDCSA-N 366.333 2.005 50 40 FEGB CCn1c(SCC(=O)NNC(=O)c2ccc(C)cc2)nnc1C1CC1 1368510 VBFJWDXQFVDXGX-UHFFFAOYSA-N 359.455 2.037 50 40 FEGB NC(=O)N1CCC[C@@H](C(=O)NN=C(c2ccccc2)c2ccccc2)C1 32768099 BMHNBZQUNBGVCX-QGZVFWFLSA-N 350.422 2.346 50 40 FEGB Cc1cccc(C)c1N1/C(=N\C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@@H]21 101310031 BEFIFTMSGVLPDG-VPRNNGAHSA-N 372.899 2.144 50 40 FEGB COc1ccc(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)cc1OC 409359245 APQJAMQIQPVCGK-ZDLGFXPLSA-N 359.338 2.010 50 40 FEGB COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C 408986618 ROJBYDXHSIQEBG-LPYMAVHISA-N 370.453 2.005 50 40 FEGB CN(C)c1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1Br 4711211 VCLXOBVGFOVJRZ-UKTHLTGXSA-N 364.243 2.281 50 40 FEGB Cc1ccc(C)c(OCC(=O)NNC(=O)C[C@@H]2OC(=O)c3ccccc32)c1 49984207 ZDZZMHKCBAKTHD-KRWDZBQOSA-N 368.389 2.131 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCC#N 6186241 TZFLKWPKZRAKHV-CIAFOILYSA-N 366.377 2.320 50 40 FEGB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNC(=O)c1ccccc1F 24765136 NNCLBYOZFYDLSK-LBPRGKRZSA-N 353.353 2.102 50 40 FEGB O=C(COc1ccccc1F)NNC(=O)c1cccc(-n2cccc2)c1 12537316 USTFNFUNQKGCOH-UHFFFAOYSA-N 353.353 2.456 50 40 FEGB CC(=O)O[C@H]1C[C@@H](C)C(C=O)=C2[C@@H]1C(C)(C)[C@@H](OC(C)=O)[C@]2(C)C=O 13482412 SZNXTPIBMHCZPM-ACMZEFMZSA-N 350.411 2.246 50 40 FEGB biogenic,in-vitro COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCC(N)=O 4544405 LODZLZYFVMXWTI-SCNXCLFWSA-N 371.437 2.161 50 40 FEGB CCc1ccc(-c2nc(C(=O)NNC(=O)C3=COCCO3)cs2)cc1 9884543 PKSMOLORINDNFW-UHFFFAOYSA-N 359.407 2.022 50 40 FEGB COc1ccc(OC)c(-c2cc(C(=O)NN)nn2-c2ccccc2C)c1 59472522 BIKABBCLGSVGLU-UHFFFAOYSA-N 352.394 2.468 50 40 FEGB Cc1ccc(/C=N\NC(=O)c2nn(-c3ccccc3)c(=O)c(C#N)c2C)cc1 409059011 QIYUWMKXRIWUAL-QRVIBDJDSA-N 371.400 2.485 50 40 FEGB C[C@@]1(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)CC1(Cl)Cl 15841699 IVOOAIBCSCJJIB-AWEZNQCLSA-N 353.209 2.422 50 40 FEGB CCc1nnsc1C(=O)NNC(=O)c1ccc(F)cc1Br 95954036 HSCZGBFDVRODEX-UHFFFAOYSA-N 373.207 2.077 50 40 FEGB Nc1c(C(=O)NNC(=O)COc2ccccc2)cnc2ccc(Cl)cc12 32605470 RJSQSTXQONWKQY-UHFFFAOYSA-N 370.796 2.310 50 40 FEGB COC(=O)/C(C#N)=C/c1c(N2CCCCCC2)nc2ccccn2c1=O 2199672 WXKWFACSNDZRMP-WYMLVPIESA-N 352.394 2.155 50 40 FEGB C[C@@]1(C(=O)NNC(=O)CN2CCCc3ccccc32)CC1(Cl)Cl 45574439 FCKZTNGDHVSGIU-HNNXBMFYSA-N 356.253 2.171 50 40 FEGB CCCc1n[nH]c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 8568304 RFDHZFLVXWTVCC-AWEZNQCLSA-N 356.382 2.303 50 40 FEGB COc1ccc(CC(=O)NNC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 4603170 XEQDCSZWUQQBGU-YRNVUSSQSA-N 370.405 2.116 50 40 FEGB Cc1ccsc1/C=N/NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 408908983 ZQVAQOCGCPIYPI-HNEYUBDGSA-N 365.480 2.361 50 40 FEGB C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)C(=O)Nc1ccccc1 16293001 KLFCIJUXTVSQKO-HYARGMPZSA-N 352.394 2.454 50 40 FEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1ccccc1OC 6182593 IOFIYALVPRNZFI-VCHYOVAHSA-N 359.338 2.385 50 40 FEGB COCCNC(=O)/C(C#N)=C/c1cc(Br)c(OC)cc1OC 408800141 LAPZEJBGOGXVIM-IZZDOVSWSA-N 369.215 2.136 50 40 FEGB CCOc1ccc(/C=N\NC(=O)CNc2ccc3c(c2)OCO3)cc1OC 408869901 SQHBTBSJKVHQER-FBHDLOMBSA-N 371.393 2.385 50 40 FEGB CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1 5005238 ZCKAJUVJSSKYJL-HFNXDKSESA-N 363.417 2.115 50 40 FEGB CCCC[C@H](CCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 2194250 DYJOOSJPTIKNIS-LLVKDONJSA-N 351.359 2.027 50 40 FEGB O=C(Cc1cccc2ccccc12)NNC(=O)[C@H]1COc2ccccc2O1 3311177 BVXRELWMXLKTQS-LJQANCHMSA-N 362.385 2.370 50 40 FEGB N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)Nc1ccccc1C(=O)O 13343882 PYWGKTOYRCFNMN-UKTHLTGXSA-N 366.329 2.394 50 40 FEGB N#Cc1cccc(S(=O)(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1 6052277 JLJVIGJPPFTGMB-UHFFFAOYSA-N 359.451 2.084 50 40 FEGB COc1c(O)ccc(/C=N/NC(=O)CNc2ccc(C)cc2)c1[N+](=O)[O-] 4663577 RPJQTGTUZZQBDR-DJKKODMXSA-N 358.354 2.180 50 40 FEGB CCOc1cc(Br)cc(/C=N/NC(=O)c2cc(C)n[nH]2)c1O 4956805 GPDHEZYNVQLBGI-FRKPEAEDSA-N 367.203 2.349 50 40 FEGB COc1ccc(C(=O)n2c(C)c(C(=O)NN)c3ccccc32)cc1OC 216958722 JEJGZBNYVYHAHM-UHFFFAOYSA-N 353.378 2.259 50 40 FEGB COc1ccc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC 3474693 KUDOPWBZIYAKBF-QGMBQPNBSA-N 373.321 2.105 50 40 FEGB Cc1[nH]c(N)nc(=O)c1CCCNc1ccc(CCC(=O)CCl)cc1 8627124 CTCGUMZSRULZPW-UHFFFAOYSA-N 362.861 2.446 50 40 FEGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)c(F)c3)[C@H]2C1 680227 DWMQLBXWVGXDIB-YOEHRIQHSA-N 351.360 2.320 50 40 FEGB Cc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 20060232 AUIMYJPQWOTJQN-XDHOZWIPSA-N 359.451 2.220 50 40 FEGB CCc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccc(C)c3)CC2=O)cc1 408614251 ADUMHJQUBNKQSM-QGZVFWFLSA-N 365.433 2.372 50 40 FEGB CCc1sc(C(=O)NNC(=O)c2cnn3c(C)cc(C)nc23)cc1C 40069133 VIPKUENRQUULSH-UHFFFAOYSA-N 357.439 2.353 50 40 FEGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(O)c(OC)c2)CC(=O)N1 708590 XEWGDMLNFFBAIN-NSHDSACASA-N 362.407 2.036 50 40 FEGB N#CC1(C#N)[C@H](c2ccccc2)[C@H](Br)[C@@]2(O)C[C@]1(C#N)C(O)=N2 59812370 RZIYULXBHNHLCK-DSPQJCBJSA-N 371.194 2.140 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1OC 59503431 QZSDBSNHDTUQEB-RGVLZGJSSA-N 355.394 2.409 50 40 FEGB C=CC[C@H](C[C@H](O)COCCC)C(=O)NNC(=S)Nc1ccccc1 13687872 LFJGXNPEGNAGDJ-ZBFHGGJFSA-N 365.499 2.374 50 40 FEGB CC1(C)CC(=O)C2=C(C1)N(c1nc[nH]n1)C(N)=C(C#N)[C@H]2c1cccnc1 5408208 GWXNPZWMWSIWSL-OAHLLOKOSA-N 361.409 2.141 50 40 FEGB Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccc(S(=O)(=O)O)o1 18192119 FVQRGCZACMCWTJ-FRKPEAEDSA-N 372.786 2.017 50 40 FEGB CCOC(=O)[C@@H](/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1)C(C)=O 3055349 FVTNOLXQMJVENQ-CZAWJFPGSA-N 355.799 2.289 50 40 FEGB CCCOC(=O)C1=C(C)O[C@@]23OC(N)=C(C#N)[C@]12C(=O)c1ccccc13 100615581 XHPDNVGMLNDLMK-MOPGFXCFSA-N 352.346 2.004 50 40 FEGB CCc1cccc(N2C[C@H](C(=O)NNC(=O)c3cccs3)CC2=O)c1 12942741 NUAJEXJEMOMQFV-CYBMUJFWSA-N 357.435 2.125 50 40 FEGB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CCl)[C@@H]2C(C)C)cc1 4813912 GMKRSTFWKZUDAR-INIZCTEOSA-N 358.891 2.439 50 40 FEGB O=C(NNC(=O)c1cccc(O)c1)Nc1cccc(NC(=O)C2CC2)c1 95460851 ZEFKKBSSTHBJNA-UHFFFAOYSA-N 354.366 2.207 50 40 FEGB COc1cc(/C=N\NC(N)=O)ccc1OCC(=O)Nc1cccc(C)c1 409008126 UFXQCPLHGBXAKV-JMIUGGIZSA-N 356.382 2.023 50 40 FEGB CCO[C@]1(O)C(=O)[C@@]2(CBr)CC[C@H]1[C@@]2(C)CBr 675029564 BIWONTPIKNWESF-IELRGYKMSA-N 370.081 2.487 50 40 FEGB CN(C)S(=O)(=O)Oc1ccc(-c2noc(C(C)(C)CCl)n2)cc1 2576674 GJAXJMGUUTZSJO-UHFFFAOYSA-N 359.835 2.438 50 40 FEGB C[C@]1(Br)[C@@H](Br)CS(=O)(=O)[C@@H]1Br 100838149 PRHKXBMDBZJYQR-YUPRTTJUSA-N 370.888 2.053 50 40 FEGB CCOc1cc2c(cc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-])OCO2 107574565 XFDGPXNYZPKYGH-GRSHGNNSSA-N 371.349 2.415 50 40 FEGB Cc1ccc2c(c1)/C(=N/NC(=O)c1cncc(Br)c1)C(=O)N2 3150828 ZRLSHSNULDLEGL-UHFFFAOYSA-N 359.183 2.239 50 40 FEGB COC(=O)c1ccc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)cc1 4735376 VMQQHDQMHRANJU-UDWIEESQSA-N 356.378 2.183 50 40 FEGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 408741728 RSKAWZHATDOHKH-YDDPGSGASA-N 365.349 2.349 50 40 FEGB C[C@@H]1CCc2c(C(=O)NNC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)csc2C1 225588022 CJLURVPBDUPPMU-FJNZGUHISA-N 374.462 2.157 50 40 FEGB O=C(CN1C(=O)c2ccccc2C1=O)NNc1nc2ccccc2s1 5776183 JUKHAUYXYHKJGE-UHFFFAOYSA-N 352.375 2.036 50 40 FEGB COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)ccc1O 1462625 QNTONUFAGIWATG-SRZZPIQSSA-N 351.362 2.478 50 40 FEGB CCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2)cc1 2294364 QTPPCOYBDXFASS-UHFFFAOYSA-N 357.435 2.425 50 40 FEGB COc1cccc(/C=N/NC(=O)c2ccc(F)cc2)c1O[C@@H](C)C(=O)O 409230810 FVHIDSIFGMFYHK-KKBVUKDESA-N 360.341 2.450 50 40 FEGB COc1ccc(/C=C(\C#N)C(N)=O)c(OS(=O)(=O)c2ccc(C)cc2)c1 408896979 VDNHXBQXSYXYOX-NTEUORMPSA-N 372.402 2.164 50 40 FEGB CC(C)c1ccc(OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 647105 SSVWIZDUKWYROW-SFHVURJKSA-N 370.405 2.176 50 40 FEGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3c(F)cccc3F)CC2=O)cc1 408614249 ADSDUQQWYVIMPU-LBPRGKRZSA-N 373.359 2.087 50 40 FEGB Cc1c(/C=N/NC(=O)CC2(C)OCCO2)c(Cl)nn1-c1ccccc1 408891931 FPFPPDSQCPGBOA-YBFXNURJSA-N 362.817 2.437 50 40 FEGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccs3)CC2=O)cc1C 408614641 FVJOHKVQBRHYFN-CYBMUJFWSA-N 357.435 2.179 50 40 FEGB O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Br)c1cccs1 32118999 XNPMLTLTYKYVGM-UHFFFAOYSA-N 370.184 2.494 50 40 FEGB COc1cccc(/C=N\NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c1 31783387 QZRPLFIVNIPPGP-ZBKNUEDVSA-N 370.434 2.234 50 40 FEGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cccc(OC)c1OC 8168767 KBGLZGSWYDZUPQ-VCHYOVAHSA-N 359.338 2.385 50 40 FEGB COc1cc(C)ccc1C(=O)N/N=C/c1cn(CC(N)=O)c2ccccc12 6613456 BUQAYVZCGDOBLL-LSHDLFTRSA-N 364.405 2.208 50 40 FEGB CCCc1n[nH]c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)C(C#N)=C(N)O2 4150176 LCJZZQJABUFWIN-CQSZACIVSA-N 369.337 2.217 50 40 FEGB CC[C@H](NNC(=O)c1cc(C)nc2ccccc12)C(=O)Nc1cc(C)on1 14199052 XHNQUNVYLUHEPH-HNNXBMFYSA-N 367.409 2.491 50 40 FEGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(F)(F)F)c32)cc1 4953642 FMNKMBMZBCEJID-JTQLQIEISA-N 364.283 2.433 50 40 FEGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(N)=O)cc2)c1 408764828 VRLPQDLAYXWCME-NTEUORMPSA-N 351.362 2.105 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC 2267890 FXFIHLORKXIKNO-DJKKODMXSA-N 358.350 2.205 50 40 FEGB COc1cc(/C=N\NC(=O)COc2cc(C)ccc2C)cc([N+](=O)[O-])c1O 30976736 YMENVKPMDCMZGI-OCKHKDLRSA-N 373.365 2.455 50 40 FEGB C/C(=N\NC(=O)[C@H]1C(=O)NC[C@H]1c1ccccc1)c1cc([N+](=O)[O-])cs1 4696831 PKYYRKFTMSHZGK-RDUZZNEKSA-N 372.406 2.026 50 40 FEGB COc1c(O)ccc(/C=N\NC(=O)COc2ccc(C)cc2C)c1[N+](=O)[O-] 13955313 CEQMNARRAGRIHI-OCKHKDLRSA-N 373.365 2.455 50 40 FEGB Cc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 408784941 WYERGKQVPVYNJZ-YBFXNURJSA-N 363.414 2.050 50 40 FEGB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccccc1[N+](=O)[O-] 408995490 ANCPPQQRGJLJNM-LICLKQGHSA-N 357.326 2.333 50 40 FEGB O=C(NNC(=O)c1ccccc1-n1cccn1)c1cc(-c2ccccc2)n[nH]1 40144752 JWJMSYNVOFIFJX-UHFFFAOYSA-N 372.388 2.337 50 40 FEGB O=S1(=O)C[C@@H](Br)[C@@](Br)(c2ccccc2)C1 5005219 DFPRPSAKDXJTRA-ZJUUUORDSA-N 354.063 2.469 50 40 FEGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(C(=O)OC)cc1 3085852 YXTCRLZFVCITIK-UDWIEESQSA-N 353.378 2.124 50 40 FEGB Cc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3Cl)C2=O)cc1 2358496 QDRUOAWQVBUWEH-HNNXBMFYSA-N 357.797 2.215 50 40 FEGB COc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(C)C)cc1 4119028 HWZRPQCPEZAMMJ-RGVLZGJSSA-N 371.397 2.232 50 40 FEGB Cc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408907134 LEFXODVRSZXFDH-SJPXOZHESA-N 359.451 2.300 50 40 FEGB Cc1cc(/C=N/NC(=O)C(N)=O)c(C)n1-c1ccc(Cl)c(Cl)c1 408944898 VZAAEZMWOFNNSW-FBCYGCLPSA-N 353.209 2.336 50 40 FEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(OC)cc2)c1C 408941065 PJLKCGBPTNVXHJ-LNOXHEFASA-N 370.453 2.468 50 40 FEGB C[C@@H]1N[C@H]([N+](=O)[O-])[C@H](Br)N1CC(=O)c1ccc(Cl)cc1 90469405 QKYIEVDEIZBHLQ-NZXMKCKXSA-N 362.611 2.098 50 40 FEGB CC(C)=NO[C@]1(c2cccc([N+](=O)[O-])c2)OC(N)=C(C#N)C1=C(C#N)C#N 100243360 HONSUBJLQJAMQJ-KRWDZBQOSA-N 364.321 2.228 50 40 FEGB C/C(Cn1nnc2ccccc21)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1 15218122 FGXNPLKJLQQUMB-LDADJPATSA-N 352.354 2.074 50 40 FEGB CCOC(=O)/C=C/C(=O)NNC(=O)c1sc2ccccc2c1Cl 1794384 ILMYAMFQPRYAMN-BQYQJAHWSA-N 352.799 2.435 50 40 FEGB Cc1csc(CC(=O)NNC(=O)CN(CC2CCCCC2)C2CC2)n1 59409378 ZVPVYVCAACLDMZ-UHFFFAOYSA-N 364.515 2.186 50 40 FEGB COc1ccc(C(=O)NNC(=N)c2cc3ccccc3oc2=O)cc1OC 3772020 NMOGPSBDFSBCCE-UHFFFAOYSA-N 367.361 2.070 50 40 FEGB COc1ccccc1NCC(=O)N/N=C/c1ccc(N(C)C)c([N+](=O)[O-])c1 4117050 HPUGIIHNKKLWQF-RGVLZGJSSA-N 371.397 2.232 50 40 FEGB Cc1oc(/C=N/NC(=O)CSc2ncccn2)cc1Br 408832281 SMLKYNUGONLEQK-OMCISZLKSA-N 355.217 2.383 50 40 FEGB C[C@H](CNC(=N)CSS(=O)(=O)O)OC12CC3CC(CC(C3)C1)C2 31291382 UCDWLIXRVZBBKA-QFGHMXTESA-N 362.517 2.463 50 40 FEGB O=C(N/N=C/c1ccc(I)o1)c1ccc(O)cc1 83330831 NHUBLZUTPCIMCQ-VGOFMYFVSA-N 356.119 2.354 50 40 FEGB CC1=C(C#N)C(=O)NC(=O)/C1=C\c1c(C)nn(-c2ccc(C)c(C)c2)c1O 16312655 AHVQNQCUOPMJAC-NVNXTCNLSA-N 362.389 2.383 50 40 FEGB O=C(CNC(=O)c1ccccc1)N/N=C/c1c(F)c(F)c(F)c(F)c1F 2317277 DSRSKKHFSAEQJG-TXNBCWFRSA-N 371.265 2.262 50 40 FEGB COc1cc([N+](=O)[O-])cc2cc(C(=O)NC3=C(C#N)CCC3)c(=O)oc12 4745190 LLCXPSFUOGNESK-UHFFFAOYSA-N 355.306 2.401 50 40 FEGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(C(=O)O)cc1 59515547 UHOHKUKBPQYCSK-DJKKODMXSA-N 359.769 2.435 50 40 FEGB Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1ccco1)C(C#N)=C(N)O2 4283161 CUHQJIDVLOUJRZ-MLGOLLRUSA-N 353.378 2.147 50 40 FEGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(N)=O)cc2)cc1 4544594 OBHZDYRIBGKCNP-RVDMUPIBSA-N 365.389 2.495 50 40 FEGB C/C(=N\NC(=O)CN1CCN(Cc2ccc(C)cc2)CC1)c1ccncc1 19682662 HLKYTGVSIPJJGD-PTGBLXJZSA-N 365.481 2.048 50 40 FEGB Cc1c(Cl)cccc1N1C[C@@H](C(=O)NNC(=O)c2ccccc2)CC1=O 408639411 GCUUVZWKFYPNOO-AWEZNQCLSA-N 371.824 2.463 50 40 FEGB COc1ccc(CC(=O)N/N=C/c2cc([N+](=O)[O-])cc(C)c2O)cc1OC 36239667 GJCIFLYDNKWPDT-VXLYETTFSA-N 373.365 2.319 50 40 FEGB O=C(NNS(=O)(=O)c1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 5944825 CBIOUPLMLVSUGM-UHFFFAOYSA-N 352.431 2.352 50 40 FEGB O=C(CN1CCOCC1)N/N=C/c1ccccc1OCc1ccccc1 19797809 APIKGQURAYRXDT-KGENOOAVSA-N 353.422 2.048 50 40 FEGB N#C/C(=C\c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(N)=O 2405129 BQABZEDIXYPNDO-PKNBQFBNSA-N 350.309 2.018 50 40 FEGB Cc1cc(C)c(S(=O)(=O)NNC(=O)c2c(C)nc3ccccn23)c(C)c1 8778667 XZEWXNDIRLDFLV-UHFFFAOYSA-N 372.450 2.191 50 40 FEGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)c(C)n1-c1ccccc1 58884258 CWRKADPJUAYSRM-WSDLNYQXSA-N 364.405 2.454 50 40 FEGB Cc1c(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)sc2ncnc(N)c12 408972348 AVUJXVXXDXVHNZ-KPSZGOFPSA-N 356.367 2.254 50 40 FEGB C/C(=N/NC(=O)c1cc(-c2cccn2C)n[nH]1)c1ccc([N+](=O)[O-])cc1 4370153 DQPNRYKQKOSQPW-WQRHYEAKSA-N 352.354 2.477 50 40 FEGB CN(CC(=O)NNC(=O)c1ccc(Br)cc1)C1CCCCC1 5862111 HENGJGXHORBYEQ-UHFFFAOYSA-N 368.275 2.475 50 40 FEGB O=C(CN1CC[C@H](CSc2ccccc2)C1)NNC(=O)c1ccco1 72305235 XLQDFZOFKYSLTH-AWEZNQCLSA-N 359.451 2.155 50 40 FEGB COc1ccc(Cl)cc1C(=O)NNC(=O)COc1cccc(F)c1 2726449 VYFUKOJIIXNAKU-UHFFFAOYSA-N 352.749 2.328 50 40 FEGB O=C(CCl)N(CCO)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 5394755 QKKKNOHRTHJMRT-UHFFFAOYSA-N 369.727 2.085 50 40 FEGB COc1ccc(OCC(=O)N/N=C(\C)CC(=O)Nc2cc(C)ccn2)cc1 4697912 NOEVBCXMEKEGPQ-HYARGMPZSA-N 370.409 2.298 50 40 FEGB O=C(COc1cccc2ccccc12)NNC(=O)c1ccccc1C(=O)O 6244121 AGKFVMPGYONFJF-UHFFFAOYSA-N 364.357 2.378 50 40 FEGB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNC(=O)c1ccncc1 12943491 PMOBDAISNMBQSN-UHFFFAOYSA-N 353.357 2.098 50 40 FEGB CN1C(=O)[C@@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CCCC[C@@H]32)c2ccccc21 4102761 PEZJSTDHNRFYFO-LHSJRXKWSA-N 355.401 2.411 50 40 FEGB CCn1c(C)nc2cc(C(=O)NNC(=O)COc3cccc(F)c3)ccc21 7609346 XEUHJEMRCVUOIA-UHFFFAOYSA-N 370.384 2.344 50 40 FEGB COc1ccc(OCC(=O)n2c(C)c(C(=O)NN)c3ccccc32)cc1 216877170 GZIYYCKILOVMEF-UHFFFAOYSA-N 353.378 2.281 50 40 FEGB CC(=O)C1=C(OC(C)(C)C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccccc12 49947126 XUPPWXHXFUPJJK-LJQANCHMSA-N 353.378 2.216 50 40 FEGB CC(C)COc1cccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 12979935 NCIZRFKBZWUTPC-GOSISDBHSA-N 370.405 2.322 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1OC 3008784 BPZKQQLZAWSIQH-VXLYETTFSA-N 361.785 2.446 50 40 FEGB Cc1ccc(/C=C/C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(C)c1 9113771 FMXNEYCBHAFAGY-BBVFFXRHSA-N 352.390 2.304 50 40 FEGB COc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OC(C)=O 1437617 ZVEZEOQIFYJTGY-RGVLZGJSSA-N 356.378 2.458 50 40 FEGB O=C(NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O)c1cccs1 23109302 RQISCIUGSNDWGW-UHFFFAOYSA-N 371.393 2.172 50 40 FEGB Cc1ccc(C(=O)NNC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1 30017878 BPONZOKMZKSIFD-GJZGRUSLSA-N 368.437 2.078 50 40 FEGB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(CCC(=O)N/N=C/c1ccccc1O)C2=O 101102445 SZYPWHVIDUGLEX-QPMGLIPZSA-N 371.437 2.044 50 40 FEGB Cc1c(C(=O)NNC(=S)NC(=O)c2ccccc2)sc(=S)n1C 2308077 GCWHGKOQBAEIDK-UHFFFAOYSA-N 366.493 2.074 50 40 FEGB C[C@H](C(=O)N/N=C/c1ccccc1F)N(c1ccccc1)S(C)(=O)=O 4363608 DOCPFTVRVFWATE-KZKLBEMASA-N 363.414 2.131 50 40 FEGB Cc1c(C(=O)N/N=c2/c(=O)c3cccc4cccc2c43)nc2ccccn12 97840664 JSGNDIJOFPQRTQ-FCDQGJHFSA-N 354.369 2.431 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1O[C@@H](C)C(=O)O 409021229 ZHXCDXOUVPJGBU-DQAKUKQTSA-N 372.377 2.320 50 40 FEGB COc1cccc2cc(C(=O)N/N=C/c3ccccc3OCC(N)=O)oc12 408963444 CVPIPNMXHSDAGN-UFFVCSGVSA-N 367.361 2.069 50 40 FEGB Cc1ccccc1C(=O)NNC(=O)c1ccc(OCc2nccn2C)cc1 40119785 GHLIDLXCZCLQQX-UHFFFAOYSA-N 364.405 2.382 50 40 FEGB CCNC(=O)C/C(C)=N/NC(=O)COc1ccc(Br)cc1C 4405606 HGRYRRDYOHQQOM-WOJGMQOQSA-N 370.247 2.155 50 40 FEGB CCCN1C(=O)/C(=N/NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 100903388 CZEJJDJIJILETP-SPGGGKMGSA-N 365.389 2.104 50 40 FEGB CCc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(F)cc3)CC2=O)cc1 8204861 JDGXCEVCTLQABQ-OAHLLOKOSA-N 369.396 2.202 50 40 FEGB N#CC(C(=O)CSC(=S)N1CCOCC1)=C1Nc2ccccc2N1 2308134 JEYBXGVSGWEXDT-UHFFFAOYSA-N 360.464 2.179 50 40 FEGB CCn1c(C)nc2cc(C(=O)NNC(=O)Cc3cccc(OC)c3)ccc21 2626935 JTVOAWYJRMBLJZ-UHFFFAOYSA-N 366.421 2.377 50 40 FEGB COC(=O)c1sccc1NC(=O)/C(C#N)=C1\C(=O)N(C)c2ccccc21 61718318 QQSGFCGFFINCNS-KAMYIIQDSA-N 367.386 2.427 50 40 FEGB COc1cc(OC)cc(C(=O)NNC(=O)CSc2ccc(F)cc2)c1 13140882 BTHPAMDHDSSBIS-UHFFFAOYSA-N 364.398 2.396 50 40 FEGB COc1ccc(CNC(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1 9811344 UJAVJNZVFSUVGM-UHFFFAOYSA-N 357.410 2.221 50 40 FEGB COc1cc(NC(=S)NNC(=O)c2cccs2)cc(OC)c1OC 17075440 OGQAUTQAURDTRP-UHFFFAOYSA-N 367.452 2.405 50 40 FEGB COc1ccc(C(=O)N/N=C(\C)CC(=O)NCc2ccco2)cc1OC 4610828 DEWZYGHUKGZVMG-UDWIEESQSA-N 359.382 2.109 50 40 FEGB CC[C@@H](C)OC(=O)C1=C(C)O[C@]23OC(N)=C(C#N)[C@]12C(=O)c1ccccc13 1066413 SCNMZPGXASVBBR-WPYVFCFSSA-N 366.373 2.392 50 40 FEGB Cc1cc2c(c(=O)n1Cc1cccnc1)[C@@H](c1ccoc1)C(C#N)=C(N)O2 730212 KVGSIGXYYZGXPE-KRWDZBQOSA-N 360.373 2.411 50 40 FEGB CN(C)c1nc(N)nc(/C(C#N)=C\c2cc(Cl)c3c(c2)OCCO3)n1 48520874 SHOUQFHIQNBMHV-YHYXMXQVSA-N 358.789 2.009 50 40 FEGB O=C(NC[C@@H]1CCCO1)N/N=C1/C(=O)Nc2ccc(-c3ccccc3)cc21 64911245 UDVMFAMITWEQEZ-HNNXBMFYSA-N 364.405 2.488 50 40 FEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(Cl)cc1 7881831 LOTIWZUDRBHAPM-CYBMUJFWSA-N 357.797 2.154 50 40 FEGB C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 2101865 GDVDDOKTAMPKPA-JDAJCMJVSA-N 358.310 2.421 50 40 FEGB CCOC(=O)/C(C#N)=C/c1c(N2CCCCC2)nc2c(C)cccn2c1=O 2207447 XOBGOUWBTVFWTK-NTCAYCPXSA-N 366.421 2.463 50 40 FEGB N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 5447870 KIUQELBBJQZRFD-OAHLLOKOSA-N 350.357 2.249 50 40 FEGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)N1CCOCC1 408996550 ISEYBFRNTIRZEJ-FOWTUZBSSA-N 370.409 2.351 50 40 FEGB Cc1nc2ccc(NC(=O)N[C@@H]3CS(=O)(=O)C[C@H]3Cl)cc2s1 575425486 ZJOKFYJPBCTIFK-MWLCHTKSSA-N 359.860 2.131 50 40 FEGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)O 102466595 LITGQGYEIJQBSV-SXGWCWSVSA-N 366.373 2.382 50 40 FEGB CCOc1ccc(/C=N/NC(=O)c2n[nH]c(=O)c3ccccc23)cc1OC 6647882 KMYXAPKLILHOJD-RGVLZGJSSA-N 366.377 2.094 50 40 FEGB Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)N/N=C/c1ccccc1O 5697824 UFSBTTQZDKXDMN-YBFXNURJSA-N 370.365 2.478 50 40 FEGB COc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1OC 14800376 NBBYJSHFHNRBDE-UHFFFAOYSA-N 353.378 2.270 50 40 FEGB O=C(Cn1cnc2ccccc21)N/N=C/c1ccc(N2CCOCC2)s1 8442380 IQOYVWKSKAWXOA-RGVLZGJSSA-N 369.450 2.085 50 40 FEGB C[C@H]1CCc2c(C(=O)NNC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)csc2C1 225588008 CJLURVPBDUPPMU-XRNSAIHHSA-N 374.462 2.157 50 40 FEGB CCc1cc2c(=O)n(CC(=O)N/N=C\c3ccc(C)cc3)cnc2s1 101088164 CWLIOCWJDYHYHP-UKWGHVSLSA-N 354.435 2.479 50 40 FEGB O=C(COc1ccc2c(c1)CCC2)NNC(=O)COc1ccccc1Cl 6448570 JEFXGYJMPVKSEQ-UHFFFAOYSA-N 374.824 2.434 50 40 FEGB O=C(NCc1ccccn1)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 59459575 SDYOHMOVYOQYCV-DNTJNYDQSA-N 351.193 2.155 50 40 FEGB Cn1ncc2c1CCC[C@@H]2NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 47002927 UKGATKPEQPQGSH-GGUBCUDOSA-N 371.485 2.344 50 40 FEGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCC(N)=O 4544407 LODZLZYFVMXWTI-BIRNAEHNSA-N 371.437 2.161 50 40 FEGB CCn1ncc(/C=N/NC(=O)c2ccc(OC(F)F)c(OC)c2)c1F 252502607 URONINWLGCGPJC-FBCYGCLPSA-N 356.304 2.416 50 40 FEGB CC1=C(C(=O)OCC(C)C)[C@@]23C(=O)c4ccccc4[C@]2(O1)OC(N)=C3C#N 808721 BYHDZUGZPZTKLS-PMACEKPBSA-N 366.373 2.250 50 40 FEGB O=C1N[C@@H]2CS[C@@H](CCCCC(=O)Oc3ccc([N+](=O)[O-])cc3)[C@@H]2N1 4521220 YUDNXDTXQPYKCA-VNHYZAJKSA-N 365.411 2.226 50 40 FEGB in-vitro COc1ccc(NC(=O)/C(C#N)=C/NS(=O)(=O)c2ccc(C)cc2)cc1 5598803 GVHIFGLVVKZHAB-WYMLVPIESA-N 371.418 2.328 50 40 FEGB O=C1NC(=O)[C@]2(CCCc3ccc(N(CCCl)CCCl)cc32)N1 1691055 KSQRKBHYZMVDGF-MRXNPFEDSA-N 356.253 2.342 50 40 FEGB Cc1cccc(OCC(=O)N/N=C/c2ccc(N(C)C)c([N+](=O)[O-])c2)c1 4179776 PYEFFEXKINCLEA-YBFXNURJSA-N 356.382 2.498 50 40 FEGB Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c(C)o1 7652503 KBIVYMIHGYRUPS-JTQLQIEISA-N 359.407 2.404 50 40 FEGB COc1cc(/C=C(/C#N)C(N)=O)ccc1OCC(=O)Nc1ccccc1C 409007312 NSROQHURQJKYSX-DHDCSXOGSA-N 365.389 2.413 50 40 FEGB COc1ccc([C@H]2C(C#N)=C(S)N[C@](C)(O)[C@@H]2[n+]2ccccc2)cc1 20814374 KXEKURHMFVUHNN-YQVWRLOYSA-O 354.455 2.284 50 40 FEGB Cc1noc(C)c1S(=O)(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 7519345 KACRDHRMMOAJTF-UHFFFAOYSA-N 367.471 2.207 50 40 FEGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccccn2)c(OC)c1 100522944 PMKOYKCDYJDIEB-CIAFOILYSA-N 356.382 2.233 50 40 FEGB CCCc1[nH]nc2c1[C@@]1(C(=O)N(C(C)C)c3ccccc31)C(C#N)=C(N)O2 6498897 XJLVWWFTLVBYAZ-FQEVSTJZSA-N 363.421 2.490 50 40 FEGB N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1ccccc1C(=O)O 13345205 AUZWWZLRXVYLJY-UKTHLTGXSA-N 366.329 2.394 50 40 FEGB CCNc1nc2c(O)nsc2c2c1[C@H](c1cccnc1)C(C#N)=C(N)O2 19691705 FWFWRSLDNUXHBA-SNVBAGLBSA-N 366.406 2.442 50 40 FEGB COc1ccc(/C(C)=N/NC(=O)Cc2cn3ccsc3n2)cc1OC 5070635 NMTNUFITCXEBJC-YBFXNURJSA-N 358.423 2.496 50 40 FEGB O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/C=C\c1ccco1 19902397 GJORQZSZENSKHG-HYLSMCCISA-N 352.438 2.213 50 40 FEGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccc2c(c1)OCO2 409366147 ZMXKGFCBDNJOQX-RGVLZGJSSA-N 352.346 2.200 50 40 FEGB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1cccc(Cl)c1 6321520 HPBZDEZVPIHTHC-DJKKODMXSA-N 358.764 2.283 50 40 FEGB COC(=O)COc1ccccc1/C=N/NC(=O)c1ccc(C#N)cc1F 4524083 GXMFDSHTVGDQIF-UFFVCSGVSA-N 355.325 2.013 50 40 FEGB CNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@@H]3c1cccc(F)c1 8754526 ORBZWCTVLYWOON-JTQLQIEISA-N 369.381 2.384 50 40 FEGB COc1ccc(C(=O)N/N=C/c2cccc(OC)c2O[C@H](C)C(=O)O)cc1 409229180 KVAONXBABOAQKI-ZICWZVMQSA-N 372.377 2.320 50 40 FEGB COc1ccccc1NC(=O)N/N=C\c1cn(CC(N)=O)c2ccccc12 33880394 HEKBSHLOVHXIHC-FBHDLOMBSA-N 365.393 2.291 50 40 FEGB Cc1cccc(OCC(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)c1 6173692 MOFDEZIRCMFBOC-UHFFFAOYSA-N 368.368 2.160 50 40 FEGB O=C(N/N=C\c1ccc2c(c1)CCC2)C(=O)N/N=C/c1ccc2c(c1)CCC2 34911784 OSTIMSSZKRFOAT-NQGGHMMCSA-N 374.444 2.264 50 40 FEGB N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)NCCc1ccccc1 2359576 SBNAAAHVGHNZKL-SAPNQHFASA-N 351.406 2.382 50 40 FEGB Cc1cc(C)cc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 101309465 PLGZHUYDZGYSFG-BREGNPSQSA-N 372.899 2.144 50 40 FEGB C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)Cc1c[nH]c2ccccc12 993885 PDRJSQXNXUNCNC-YBFXNURJSA-N 354.370 2.316 50 40 FEGB O=C(N/N=C/c1c[nH]c2ccccc12)[C@H]1CCCN(C(=O)C(F)(F)F)C1 18192685 CPLGQBSNVNMXPB-MKTFZPETSA-N 366.343 2.419 50 40 FEGB CCCc1noc(CCC(=O)NNC(=O)c2oc3ccccc3c2C)n1 30599362 YSELRQKIEOTJLH-UHFFFAOYSA-N 356.382 2.471 50 40 FEGB N#C/C(=C\c1ccc(-c2ccccc2F)o1)C(=O)N[C@H]1CCS(=O)(=O)C1 46086214 OBVVRGNKEMBGSF-SRXBQZRASA-N 374.393 2.296 50 40 FEGB CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1[C@@H]1CC=CCC1 21601439 PVEFARARDFFACW-MLGOLLRUSA-N 361.467 2.353 50 40 FEGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c1C 14189080 XSDHAKXTWYMRBM-GFCCVEGCSA-N 361.373 2.202 50 40 FEGB O=C(NNc1ncnc2c1cnn2Cc1ccccc1)[C@@H](O)c1ccccc1 6660930 UYYXJIBRYPVMCR-KRWDZBQOSA-N 374.404 2.051 50 40 FEGB Cn1cc(C(=O)NNS(=O)(=O)c2ccccc2Cl)c2ccccc21 6788822 IPXBBZUPQZAFRL-UHFFFAOYSA-N 363.826 2.455 50 40 FEGB COc1ccc(CCC(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1 15878793 NHMOQGVKBZKAJB-UHFFFAOYSA-N 356.422 2.471 50 40 FEGB Cc1ccc(S(=O)(=O)NNC(=O)c2cncn2-c2ccccc2)cc1C 9115853 COYMVDVEDOCJGE-UHFFFAOYSA-N 370.434 2.112 50 40 FEGB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C(/C#N)C(N)=O)cc2)cc1 409217140 SLDFBTVTKIWOGM-YBEGLDIGSA-N 363.373 2.183 50 40 FEGB CCOc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(OC)c2)cc1OC 38344166 WZWPCGWTOUHLPC-NDENLUEZSA-N 371.393 2.191 50 40 FEGB CC1=C(C)C[C@@H](C(=O)NNC(=O)[C@H](C)Oc2ccc(C)cc2)[C@@H](C(=O)O)C1 6845637 RBYRTEQNZYTXLD-UAGQMJEPSA-N 374.437 2.357 50 40 FEGB C#CCOc1cccc(/C=N\NC(=O)N/N=C/c2cccc(OCC#C)c2)c1 33348860 UMAKBLQZEBDUGK-XRBXDRSNSA-N 374.400 2.378 50 40 FEGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N3CCCC3)c2C)cc1 58912465 QAVZGVAKFKCLSG-FYJGNVAPSA-N 368.437 2.175 50 40 FEGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1c(O)ccc2ccccc12 3239298 SATZHZKFTZTMAX-CIAFOILYSA-N 372.388 2.349 50 40 FEGB C=CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(S(=O)(=O)NC)cc2)o1 25888214 CLLAXSLQSZSIHP-SDNWHVSQSA-N 372.402 2.491 50 40 FEGB O=C(NNC(=O)N1CCN(Cc2ccco2)CC1)c1ccc(Cl)cc1 12686881 NYHZMEVPUICPBT-UHFFFAOYSA-N 362.817 2.105 50 40 FEGB CCc1cc(C(=O)OC)c(NC(=S)NNC(=O)c2ccco2)s1 6708540 KQJWOZIYEZPEOI-UHFFFAOYSA-N 353.425 2.322 50 40 FEGB O=C(NNS(=O)(=O)c1cccc(Br)c1)Nc1ccccc1 9048397 YVHUSSAHYXAQBJ-UHFFFAOYSA-N 370.228 2.464 50 40 FEGB COc1cccc(/C=N\NC(=O)c2ccccc2O)c1O[C@@H](C)C(=O)O 30961013 JBIGZLLXESHRKO-ORPVNXHJSA-N 358.350 2.017 50 40 FEGB NNC(=O)[C@H]1CN(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2O1 225330451 AGABFOUSJAQJMS-CQSZACIVSA-N 366.204 2.391 50 40 FEGB Cn1/c(=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2ccccc21 12524019 KXBSCUYOQKSGCJ-ICFOKQHNSA-N 373.350 2.302 50 40 FEGB Cn1cc([N+](=O)[O-])c(C(=O)NNC(=S)Nc2cccc3ccccc23)n1 2794024 HTFGTMGXAYUUOH-UHFFFAOYSA-N 370.394 2.113 50 40 FEGB O=C(Oc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 7929161 AWIKPMBGRFPQTG-LLVKDONJSA-N 371.305 2.462 50 40 FEGB COc1cc(OC)c(/C=N/NC(=O)c2ccc(C#N)cc2F)c(OC)c1 408964214 CARWTSAYZORPCA-UFFVCSGVSA-N 357.341 2.487 50 40 FEGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)COc1ccc(C#N)cc1 3401228 GMAWABGFQRQRCH-SRZZPIQSSA-N 369.377 2.113 50 40 FEGB COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 408866426 HIBHGKXJGBPOSL-VXLYETTFSA-N 371.349 2.219 50 40 FEGB CCS(=O)(=O)[C@H](I)[C@H](O)c1cccc(F)c1 96519276 PDZQUIXIBFHRBB-ZJUUUORDSA-N 358.172 2.055 50 40 FEGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(O)c(Cl)c1 24294673 XAJIOZKZOHMQKS-SECBINFHSA-N 352.749 2.413 50 40 FEGB COc1ccc([C@@H]2c3cc4c(cc3O[C@H](NNC(N)=O)[C@H]2C)OCO4)cc1 5956704 GLLWVTQEQLAITJ-RWRYZHGASA-N 371.393 2.083 50 40 FEGB CCCCNC(=O)/C(C#N)=C/Nc1cc(OC)c(OC)cc1C(=O)OC 12416250 FWKSYDVBLHHTTF-VAWYXSNFSA-N 361.398 2.226 50 40 FEGB CCCCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 27026092 RIOJKRAXNCBMEE-SFKKXYGYSA-N 362.451 2.076 50 40 FEGB COCC(=O)NNC(=S)Nc1ccc(Br)cc1Cl 6490494 NEHKPQHXXHFTFL-UHFFFAOYSA-N 352.641 2.067 50 40 FEGB NNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Br)cc1 2275092 RDLWCGBLIGBKLZ-UVTDQMKNSA-N 360.211 2.210 50 40 FEGB CCOC(=O)C(=O)NN(C(=O)Nc1ccccc1)c1ccccc1OC 5017655 SVJBFEUSHDDMAZ-UHFFFAOYSA-N 357.366 2.328 50 40 FEGB C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1cnccn1 100089635 OUEHNNSXKSACCN-FSJBWODESA-N 355.442 2.057 50 40 FEGB CCOc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccccc1OC 6960243 VCCNEPYWHVURHC-RGVLZGJSSA-N 357.366 2.315 50 40 FEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccccc1 7928296 LDVLAULLVNSBRC-ZDUSSCGKSA-N 357.797 2.154 50 40 FEGB O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1CCCN1C(=O)c1cccs1 33026410 MYJKTDNKJNWWTI-CYBMUJFWSA-N 360.395 2.404 50 40 FEGB CC1(C)OC(=O)C(=C2[C@@H]3[C@H]4[C@@H]5[C@H]2[C@H]2C[C@H]5[C@@H]([C@@H]4Br)[C@H]23)C(=O)O1 102939243 XTUXTICCGOUWQU-ZGLDBEDFSA-N 365.223 2.270 50 40 FEGB O=C(NNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(O)cc1 226855573 ALCZKLDSEQOKDP-UHFFFAOYSA-N 361.206 2.322 50 40 FEGB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NNC(=O)c1ccncc1 5423543 CYEQNDMOJRJLJW-UHFFFAOYSA-N 355.785 2.304 50 40 FEGB CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@@H]2c2ccccc2O)cc1 5663534 KOORPEXWDFHDOD-HOTGVXAUSA-N 373.796 2.186 50 40 FEGB C/C(=N\NC(=O)CCN1CCN(c2ccccc2)CC1)c1ccc(O)cc1 6369193 RIDMKYTURBWYMT-OQKWZONESA-N 366.465 2.445 50 40 FEGB O=C(NCCCn1cnc2ccccc21)NNC(=O)c1ccc(F)cc1 32779661 FYSDDTOUOSQXMI-UHFFFAOYSA-N 355.373 2.210 50 40 FEGB COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(C)cc2)cc1OC 12292757 OXTZIGYHOXVWQP-ZDUSSCGKSA-N 358.394 2.241 50 40 FEGB N#CC(C#N)=C(N)[C@]1(C#N)[C@@H](c2cccc(Br)c2)C1(C#N)C#N 6668822 RTZQLOXMTJQUPE-BBRMVZONSA-N 363.178 2.350 50 40 FEGB CCN1C(=O)/C(=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c2cc(OC)ccc21 100870121 PHSFWJKODIYTAM-MNDPQUGUSA-N 368.349 2.104 50 40 FEGB Cc1cc[n+](C2=NC(=O)S/C2=C\NNC(=O)c2ccccc2O)cc1C 15973852 CFNMAVLTANNOAS-UHFFFAOYSA-O 369.426 2.186 50 40 FEGB CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(N(C)C)cc2)s1 1958315 YYIYSWJEPPEYFP-WOJGMQOQSA-N 374.470 2.036 50 40 FEGB Cc1ccsc1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 12523612 CZUGZYZPJNHOOB-UHFFFAOYSA-N 372.494 2.030 50 40 FEGB CCc1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3)CC2=O)c1 12915078 KIZQVBNYJDYVKE-INIZCTEOSA-N 351.406 2.063 50 40 FEGB CCOc1cc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1OC 408870900 XEDPOJVLULVMEV-ZDLGFXPLSA-N 359.338 2.472 50 40 FEGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1OC 6158799 RGAPFNHLRUBZGT-FYJGNVAPSA-N 365.389 2.430 50 40 FEGB CN(C)c1ccc([C@@H]2C(C#N)=C(N)O[C@@H]3NN=C(C(F)(F)F)[C@@H]32)cc1 5334444 HRYCYMTWOQECOC-XUJVJEKNSA-N 351.332 2.024 50 40 FEGB CCc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 6356155 HXCRACPSNXPNGJ-CPNJWEJPSA-N 359.451 2.020 50 40 FEGB C/C(=N\NC(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])cs1 4696833 PKYYRKFTMSHZGK-SKCAXOJKSA-N 372.406 2.026 50 40 FEGB COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 4838876 BMGATFSLNOYZBW-UHFFFAOYSA-N 361.785 2.057 50 40 FEGB CCNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@@H]3c1cccnc1 2236624 IVPJRMPYUVDAPH-JTQLQIEISA-N 366.406 2.030 50 40 FEGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 408734076 CVOHRFGKGVGSSR-XNTDXEJSSA-N 354.362 2.445 50 40 FEGB N[C@@H](Cc1ccc(C(=O)CCl)cc1)CN1C(=O)c2ccccc2C1=O 95080002 OEZNUAMPISDEKT-AWEZNQCLSA-N 356.809 2.274 50 40 FEGB in-vitro N#C/C(=C\c1cccc(OCC(=O)O)c1)C(=O)Nc1ccc(C(=O)O)cc1 408921798 CBXGCKFJQSGJIU-RIYZIHGNSA-N 366.329 2.394 50 40 FEGB O=C(COc1cccc(Br)c1)N/N=C/c1ccc(O)c(O)c1 3573143 NDPIOQQWBIRZQM-CAOOACKPSA-N 365.183 2.389 50 40 FEGB COc1ccc2oc(=O)c(C(=O)NNC(=O)c3ccc(C)cc3)cc2c1 4263314 XMHQFCYAZYKFHR-UHFFFAOYSA-N 352.346 2.185 50 40 FEGB Cn1cc(Br)cc1C(=O)NNC(=O)CCNc1ccccc1 32463571 GBBMOWFKRSHJGM-UHFFFAOYSA-N 365.231 2.051 50 40 FEGB CCn1c(=O)c(C(=O)NNC(=O)c2cccc(C)c2)c(O)c2ccccc21 100551309 NNJRIGPZKPEXTG-UHFFFAOYSA-N 365.389 2.110 50 40 FEGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OC)cc1 642494 HFBUXJMNPIKLNU-AWEZNQCLSA-N 356.407 2.253 50 40 FEGB Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)C(N)=O)c(C)n1-c1ccccc1F 89580021 VLASLBJZRJGSDF-KMHUVPDISA-N 354.385 2.130 50 40 FEGB Cc1ccc(S(=O)(=O)NNC(=O)c2cc3ccccc3cc2O)cc1 3107354 XISYKXCJTHZZRX-UHFFFAOYSA-N 356.403 2.477 50 40 FEGB O=C(CCC(=O)c1cccs1)NNC(=O)COc1ccccc1F 3613923 JFYKMDMXDLRXSB-UHFFFAOYSA-N 350.371 2.077 50 40 FEGB CCOc1c(Br)cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C)cc1OC 14190422 GYLKIFKXOYWTGB-WCBMZHEXSA-N 371.231 2.273 50 40 FEGB O=C(NCc1cccc(NC(=O)C2CC2)c1)NNC(=O)c1ccccc1 45127797 GTRKLADRKGAHGU-UHFFFAOYSA-N 352.394 2.179 50 40 FEGB Cc1cc(C)nc(NNC(=O)c2ccccc2I)n1 14235980 PJOYNSCNJMNPFR-UHFFFAOYSA-N 368.178 2.455 50 40 FEGB O=C(CN1CCCCCCC1)NNC(=O)c1ccc(Br)cc1 16484876 JTPQUYFPXOGDOD-UHFFFAOYSA-N 368.275 2.476 50 40 FEGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)ccc1O 7813074 JACLIYSJQVDVNT-DZUMZMOTSA-N 355.394 2.118 50 40 FEGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)COc2cccc(F)c2)c1C 12782693 YFCRVIQWVIDPSX-CQSZACIVSA-N 360.385 2.436 50 40 FEGB CCn1cc(Br)c(/C(C)=N\NC(=O)[C@@H](C)n2ccc(C)n2)n1 17075390 HKQVDUFPHVEPOM-FFCYNSPCSA-N 367.251 2.272 50 40 FEGB COc1cc(/C(C)=N/NC(=O)CSc2nnc(C)s2)ccc1O 5162540 ZQDUJAYMLGYXQU-OVCLIPMQSA-N 352.441 2.193 50 40 FEGB O=C(N/N=C/c1cccc(OC2CSC2)c1)[C@H]1COc2ccccc2O1 4677196 PXCHPPYZMHFLOT-DZZWEGAPSA-N 370.430 2.471 50 40 FEGB COc1ccc(CC(=O)N/N=C/c2cc(OC)c(O)c(OC)c2)cc1OC 4735381 MDRUUDADCWJERU-RGVLZGJSSA-N 374.393 2.119 50 40 FEGB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)NNC(=O)c2ccoc2C)cc1 9503896 MUAXTTIGUACOLV-UHFFFAOYSA-N 371.422 2.279 50 40 FEGB Cc1cccc(C(=O)NNC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c1 4966094 FTVITNXVTALVJR-UHFFFAOYSA-N 367.453 2.079 50 40 FEGB CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccncc2)cc1 6357990 BEDQYKBNGRAQLZ-UHFFFAOYSA-N 372.450 2.066 50 40 FEGB COc1cc(OC)cc(C(=O)NNC(=O)COc2ccc3c(c2)CCC3)c1 2628790 ZEOKWHFKBUYJML-UHFFFAOYSA-N 370.405 2.033 50 40 FEGB O=C(NCc1cccnc1)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 59459576 FQBUFTBQQNYHBF-AWQFTUOYSA-N 351.193 2.155 50 40 FEGB COc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OC(C)=O 59334377 CACGTAGGKNPBRQ-WZUFQYTHSA-N 367.199 2.378 50 40 FEGB C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 58885013 WRKZVQOQRUSGDJ-XDHOZWIPSA-N 368.349 2.248 50 40 FEGB CCc1ccccc1N1C(=O)C[C@H](NNC(=O)c2ccccc2Cl)C1=O 2219249 DBJQMTGXTALDCG-HNNXBMFYSA-N 371.824 2.469 50 40 FEGB COc1ccc(Cl)cc1N(CC(=O)NN=C1CCCC1)S(C)(=O)=O 408782966 ZPSSROQFJSGXPL-UHFFFAOYSA-N 373.862 2.161 50 40 FEGB O=C(O)CCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 4614914 GOCAITYQBUFAEM-UHFFFAOYSA-N 363.197 2.165 50 40 FEGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 408589614 MGBQZGKBWZSJNE-XDHOZWIPSA-N 355.350 2.449 50 40 FEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)CNc1ccc(C)cc1 3085601 BEUHKPVDLPBZSN-KEBDBYFISA-N 372.381 2.483 50 40 FEGB O=C(NNS(=O)(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1Cl 829223 ZOISNQKCJOUWMA-UHFFFAOYSA-N 373.749 2.011 50 40 FEGB CN(C)S(=O)(=O)c1ccc(N/C=C2/C(=O)OC(=O)c3ccccc32)cc1 102581543 VCXMEBVDLPFWQZ-LFIBNONCSA-N 372.402 2.087 50 40 FEGB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NNC(=O)c1ccncc1 103916795 OOXFVALFAIHKLY-WJDWOHSUSA-N 353.357 2.152 50 40 FEGB O=C(CNc1ccccc1)N/N=C/c1ccc(I)o1 59419169 SGNKEBFSQIHFEE-LZYBPNLTSA-N 369.162 2.446 50 40 FEGB CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)c3nccnc3N)cc2C1 10406048 RKUULSWLRUQCTP-LLVKDONJSA-N 373.482 2.346 50 40 FEGB Cc1cc2c(c(=O)n1CCN(C)C)[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2 2257927 PAZFEDQMWDRDNK-QGZVFWFLSA-N 368.412 2.076 50 40 FEGB COc1ccc(C(=O)N/N=C/c2cccc(OC)c2O[C@@H](C)C(=O)O)cc1 409229179 KVAONXBABOAQKI-DQAKUKQTSA-N 372.377 2.320 50 40 FEGB COc1ccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 3309856 BVTDCALVUAEEQH-RGVLZGJSSA-N 374.393 2.494 50 40 FEGB CC(C)c1cc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cs1 102211542 SISFLLOZVHOGGF-ZNIXKSQXSA-N 350.440 2.379 50 40 FEGB CCC(=O)Nc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C)cc1 674924 MTIUZLUDUGVTIW-UHFFFAOYSA-N 369.421 2.492 50 40 FEGB COc1ccc(OC)c2[nH]c(C(=O)N/N=C/c3ccc(O)cc3O)cc12 2228715 PCNWEJUWBSVELF-DJKKODMXSA-N 355.350 2.360 50 40 FEGB Nc1ccc(OCCO)c(P(=O)(c2ccccc2)c2ccccc2)c1 97951040 OYIRPWZXJOGRRI-UHFFFAOYSA-N 353.358 2.279 50 40 FEGB Cc1cccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 408908762 YOEOATJVKRXUJV-SJPXOZHESA-N 359.451 2.300 50 40 FEGB Cc1cc(C(=O)NNC(=O)CCNC(=O)c2ccc(Cl)cc2)c(C)o1 6558015 HOEPOTHFKOCHRH-UHFFFAOYSA-N 363.801 2.131 50 40 FEGB O=C(CNC(=O)c1ccccc1)NN=Cc1ccc(Br)cc1 16102137 CUUZJWIEPMKVRR-UHFFFAOYSA-N 360.211 2.329 50 40 FEGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc1 33625622 ANIANFHARKEKBU-RGVLZGJSSA-N 372.377 2.020 50 40 FEGB CCOC(=O)Cc1[nH]nc2c1[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 660237 ZFROBVICUDJAJN-AWEZNQCLSA-N 358.785 2.387 50 40 FEGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2C)cc1OC 9201938 KBPDVOFSXHHHTH-RGVLZGJSSA-N 356.378 2.319 50 40 FEGB C/C(=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])o1 101673524 UEHDHGWRWDDCPU-AUWJEWJLSA-N 363.242 2.158 50 40 FEGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1 409124512 KSJPBJMJPDBRGY-FVUPAENESA-N 371.462 2.490 50 40 FEGB Cc1cc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)n(C)n1 1086853 IREHRNQJCDAKMS-VXLYETTFSA-N 356.817 2.391 50 40 FEGB Cc1ccc(S(=O)(=O)/C(C#N)=C/N[S@](=S)c2ccncc2)cc1 5553279 VNMNSCWHDFSDNN-QMUTUGEISA-N 363.489 2.173 50 40 FEGB O=C(COc1ccc(Br)cc1)N/N=C1\C(=O)Nc2ccccc21 5093693 OAEMKQYRQDMHPW-UHFFFAOYSA-N 374.194 2.301 50 40 FEGB CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)c1ccccc1Cl 57763669 OKNGSRNIJKBWPF-UHFFFAOYSA-N 366.826 2.208 50 40 FEGB COc1ccc(CC(=O)NCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 4079698 NWAYZYJDGJMXCU-SRZZPIQSSA-N 359.813 2.158 50 40 FEGB COc1ccccc1C(=O)N/N=C/c1cccc(OC)c1O[C@@H](C)C(=O)O 6929295 RQAFSJULYNIBLT-DQAKUKQTSA-N 372.377 2.320 50 40 FEGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)ccc1O 7813070 FUMIZDXZLHHXSY-UDWIEESQSA-N 355.394 2.442 50 40 FEGB O=C(NNS(=O)(=O)c1ccccc1F)C12CC3CC(CC(C3)C1)C2 6328921 QDVDONSSDVFYNK-UHFFFAOYSA-N 352.431 2.352 50 40 FEGB CCc1ccc(C(=O)N/N=C2/C(=O)Nc3cc(Br)ccc32)nc1 6451007 LWQOINWNBJTAIK-UHFFFAOYSA-N 373.210 2.493 50 40 FEGB CCc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(C)(=O)=O)cc1 409028337 LJGXFWFWINITLD-DEDYPNTBSA-N 373.478 2.474 50 40 FEGB O=C(/C=C/c1ccc(F)cc1)NNC(=O)c1cc(Br)c[nH]1 8122920 VJIYNHDMRWIUJR-ZZXKWVIFSA-N 352.163 2.391 50 40 FEGB CCCNC(=O)C/C(C)=N/NC(=O)COc1ccc(Br)cc1 4616319 YJWIIQCBHZDKQU-WOJGMQOQSA-N 370.247 2.236 50 40 FEGB N#C/C(=C/c1ccc(OCC(=O)O)cc1)C(=O)Nc1cccc(C(=O)O)c1 408542007 IYAVKLFSJVGLHU-ZSOIEALJSA-N 366.329 2.394 50 40 FEGB Cc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408907132 LEFXODVRSZXFDH-DQPIFXJKSA-N 359.451 2.300 50 40 FEGB CC1(C)OC(=O)C(=C2[C@@H]3[C@H]4[C@H]5[C@@H](Br)[C@@H]6[C@@H]4C[C@@H]3[C@@H]6[C@H]25)C(=O)O1 102939240 XTUXTICCGOUWQU-ZXHBGCEASA-N 365.223 2.270 50 40 FEGB NC(=O)N/N=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 2228043 BUAHFFJHXWHLIE-ZVBGSRNCSA-N 353.357 2.421 50 40 FEGB C#CCN1C(=O)/C(=N\NC(=O)COc2c(C)cccc2C)c2ccccc21 18324883 GZYMXZWVHQBMQX-NMWGTECJSA-N 361.401 2.183 50 40 FEGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 408742440 WNADJRQOXXRGDG-YDDPGSGASA-N 365.349 2.349 50 40 FEGB Cc1ccc(C(=O)N/N=C/c2ccc(I)o2)cn1 1052911 UZXRBYUXOCXKAH-VIZOYTHASA-N 355.135 2.352 50 40 FEGB Cc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccccc2Cl)cc1 3372653 PGJQVSMHOGYDPI-UHFFFAOYSA-N 359.813 2.230 50 40 FEGB COc1ccc(/C(C)=N/NC(=O)CNC(=O)c2cccc(F)c2)c(OC)c1 4808933 KUOVMEOGLWSQCM-WSDLNYQXSA-N 373.384 2.113 50 40 FEGB COc1cccc(C(=O)N/N=C\c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 408875540 JVZVTNLYEMXFAH-ZDLGFXPLSA-N 359.338 2.385 50 40 FEGB COc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1O 408753452 IXHRUENGRWCLEG-SRZZPIQSSA-N 351.362 2.478 50 40 FEGB O=C(Cc1c[nH]c2ncccc12)NNC(=O)[C@H]1CCO[C@@H]1c1ccccc1 585139967 QXHWGTWYGKMCMU-FUHWJXTLSA-N 364.405 2.031 50 40 FEGB O=C(COC(=O)c1ccccc1F)NNC(=O)c1ccc(Cl)cc1 3393168 QAPZBEZKAGRFQM-UHFFFAOYSA-N 350.733 2.097 50 40 FEGB C[C@H]1C[C@@H](C)CN(C(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)C1 12547256 ISCFARSVOYHEQS-BETUJISGSA-N 359.405 2.344 50 40 FEGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCC3)=C2C#N)cc1 409337096 WRDOXOHKQPAUTC-OAHLLOKOSA-N 371.462 2.389 50 40 FEGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1cccc(Br)c1 3062134 IMBXOBVRAFLVPZ-UDWIEESQSA-N 374.238 2.258 50 40 FEGB O=C(N/N=C/c1ccccc1I)c1ccccn1 6335714 OTHXVVMISUUORV-CXUHLZMHSA-N 351.147 2.450 50 40 FEGB Cc1c(C(=O)OCC(=O)NNC(=O)c2ccco2)sc2ccccc12 7567947 NGMUMEKUGASSBK-UHFFFAOYSA-N 358.375 2.421 50 40 FEGB C#CCOc1ccc(OC)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 108932881 XYWJBEQUTANCRE-UNOMPAQXSA-N 353.334 2.379 50 40 FEGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1C 6983995 IRWZUIHYWZFLJZ-ZDUSSCGKSA-N 356.378 2.261 50 40 FEGB Cc1ccsc1/C=N/NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 409116735 LOUFJITWLFMCNS-RQZCQDPDSA-N 369.443 2.112 50 40 FEGB O=C(CSc1ncccn1)N/N=C/c1ccccc1Br 4093779 BUMBVULZKGHCAX-CAOOACKPSA-N 351.229 2.482 50 40 FEGB O=C(NCc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccccc1O 5583387 FMPQNGXDNQZZLV-AWQFTUOYSA-N 366.204 2.466 50 40 FEGB CCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3ccc(C)cc3)ccc21 6026948 CQDSYBMUMLYUDN-UHFFFAOYSA-N 372.450 2.296 50 40 FEGB O=C(NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1cnccn1 12547041 USUYTRNPSWJXLM-UHFFFAOYSA-N 370.372 2.162 50 40 FEGB Cc1cc(N(C)C)ccc1/C=N/NC(=O)c1[nH]ncc1Br 973466 IBTAEBWBCOCSDN-FRKPEAEDSA-N 350.220 2.311 50 40 FEGB CN1C(=O)CC[C@@H](C(=O)NNC(=O)c2ccccc2)[C@@H]1c1ccccc1 72280982 QAYGBLBEBXHNFT-AEFFLSMTSA-N 351.406 2.057 50 40 FEGB CCOC(=O)COc1ccc(/C=N\NC(=O)c2ccc(OC)cc2)cc1 408869134 RPYVFDJCJCHPOR-NDENLUEZSA-N 356.378 2.401 50 40 FEGB CC(C)CCOC[C@@H](O)CCC(=O)NNC(=S)Nc1ccccc1 8691937 QFLBAAYSTWJOBT-HNNXBMFYSA-N 353.488 2.208 50 40 FEGB COCCn1c(C)cc2c(c1=O)[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2 2352470 WMEOEICUINMDPS-INIZCTEOSA-N 355.369 2.160 50 40 FEGB Cn1nc(C(=O)NNc2c(F)c(F)cc(F)c2F)c2ccccc2c1=O 3330914 SKVQWPCSAFSCAA-UHFFFAOYSA-N 366.274 2.247 50 40 FEGB Cc1nn(C)c(F)c1/C=N/NC(=O)[C@H](C)n1nc(C(F)(F)F)cc1C 252481828 CTHIWEQVBZVKIW-JOHFULMTSA-N 360.315 2.103 50 40 FEGB CCOC(=O)NNC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 16884627 ZHPUXOBCTNNHQN-UHFFFAOYSA-N 369.421 2.469 50 40 FEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1OC 5512830 DCSLJPUFYBSGNI-DEDYPNTBSA-N 359.426 2.159 50 40 FEGB COc1cc(Br)cc(/C=N/NC(=O)c2ccncc2)c1O 880787 SSYJLRAERZNLCM-CAOOACKPSA-N 350.172 2.322 50 40 FEGB CCN(C(=O)CCl)c1ccc([C@@](O)(C(=O)OC)C(F)(F)F)cc1 3149652 GYBRULFBINRWAH-CYBMUJFWSA-N 353.724 2.201 50 40 FEGB C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)[C@H]1COc2ccccc2O1 4860554 OWTAEOJBWRXLRX-LNSJNNGNSA-N 354.362 2.159 50 40 FEGB CCCCc1ccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1 9337145 PLDUFOACGZGEHU-UHFFFAOYSA-N 364.405 2.341 50 40 FEGB CN1CCN(CCC(=O)N/N=C/C=C2\N(C)c3ccccc3C2(C)C)CC1 22036058 OJCJZAFPTSPAFZ-VMKFXXQGSA-N 369.513 2.037 50 40 FEGB O=C(NNC(=O)c1ccccc1I)c1ccccc1 1097989 WEPGFNOATKCRNL-UHFFFAOYSA-N 366.158 2.366 50 40 FEGB COc1cccc(/C=N/NC(=O)Cc2ccccc2)c1O[C@@H](C)C(=O)O 409240486 PZVZJEXXVAWZRW-DZUMZMOTSA-N 356.378 2.240 50 40 FEGB CCCCC[C@@H](C)NC(=O)CCC(=O)NNC(=O)c1cccc(F)c1 4680926 FVIFXDOJODQQQS-CYBMUJFWSA-N 351.422 2.452 50 40 FEGB Cc1ccc(CN2CCN(CC(=O)N/N=C/c3ccccc3)CC2)cc1 19682599 ROTSVQYSIOVQJW-PXLXIMEGSA-N 350.466 2.263 50 40 FEGB O=C(N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccs1 83309008 FDFPAVCPMPHHBM-BOPFTXTBSA-N 360.395 2.257 50 40 FEGB CS(=O)(=O)[C@H](I)[C@H](O)c1cccc(Cl)c1 96519156 SXFHGTUMENIBMX-BDAKNGLRSA-N 360.600 2.179 50 40 FEGB C[C@@]1(Br)[C@H](Br)S(=O)(=O)C[C@H]1Br 253476048 PRHKXBMDBZJYQR-WDCZJNDASA-N 370.888 2.053 50 40 FEGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(OC)c1O 108076109 JGBIBIZECXEHCE-ZDLGFXPLSA-N 359.338 2.010 50 40 FEGB CCCCNC(=O)NC1=N/C(=C(\C#N)C(=O)N2CCCC2)c2ccccc21 105462972 OWANFVGANRDPCB-WUKNDPDISA-N 365.437 2.403 50 40 FEGB C/C(=N/NC(=O)CCn1nnc2ccccc21)c1ccc([N+](=O)[O-])cc1 1469434 KOZOYKMOVNMJRP-PDGQHHTCSA-N 352.354 2.270 50 40 FEGB COc1cccc(/C=N/NC(=O)c2ccccc2F)c1O[C@H](C)C(=O)O 409242960 XAQRUBJKLUEEKC-JZOCJUILSA-N 360.341 2.450 50 40 FEGB C/C(=N\NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 47952875 NMSQIHZWBMSIRO-CPNJWEJPSA-N 359.451 2.310 50 40 FEGB Cc1ccccc1C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 13001426 UEDCZBGVRRFDPL-UHFFFAOYSA-N 364.405 2.361 50 40 FEGB Cc1ccc(O)c(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1 408679870 FLBGXDSBWKUBFM-IZIREBJPSA-N 366.211 2.210 50 40 FEGB CCOC(=O)Oc1ccc(/C=C(\C#N)C(=O)NCCCOC)cc1OC 408812492 SPLYUXCINAUAPO-GXDHUFHOSA-N 362.382 2.290 50 40 FEGB CCO[C@@]1(O)C(=O)[C@@]2(CBr)CC[C@H]1[C@@]2(C)CBr 675029578 BIWONTPIKNWESF-ZDDJMSTPSA-N 370.081 2.487 50 40 FEGB Cc1ccc(OCC(=O)NNC(=O)c2ccoc2C)c(Br)c1 4600574 GUOIXQPTLQDGGZ-UHFFFAOYSA-N 367.199 2.499 50 40 FEGB CC(C)(C)NNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 9683248 YNMAJTZQZBNAFF-UHFFFAOYSA-N 353.488 2.284 50 40 FEGB COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(OC)c1OC 409130945 XKVJPFJDDRIOKI-KRWDZBQOSA-N 369.421 2.442 50 40 FEGB COc1ccc(OCC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1 6182017 VRFASGAACGOFME-VCHYOVAHSA-N 359.338 2.141 50 40 FEGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@H]1OC(=O)c2ccccc21 32999503 MCHMPGSAOZPUGB-BDJLRTHQSA-N 372.352 2.042 50 40 FEGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1 408966238 KUFOBLPLWYHTFN-SSDVNMTOSA-N 369.352 2.403 50 40 FEGB O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1ccc(N2CCCC2)cc1 7384957 QXANCOAJGHSEED-RCCKNPSSSA-N 368.437 2.480 50 40 FEGB COc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c([N+](=O)[O-])cc1OC 409199690 IXGWULUHNHUMSY-XLTHYULKSA-N 368.349 2.369 50 40 FEGB COc1ccc(/C=C/C(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1 6454370 SKHHQWFNNQETEQ-RMKNXTFCSA-N 356.378 2.187 50 40 FEGB COc1cc(C(=O)N/N=C2\CCCC[C@@H]2[N+](=O)[O-])cc(OC)c1OC 17064543 LSSLAQSBYKYCQY-OOIIIRTPSA-N 351.359 2.018 50 40 FEGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 19954394 SRAVULFNGFIADT-XDHOZWIPSA-N 359.451 2.220 50 40 FEGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2ccc(C)cc2[nH]c1=O 876447 NXFBVUNOKLFVGZ-MRXNPFEDSA-N 351.362 2.091 50 40 FEGB O=C(Cc1cc(O)n[nH]1)N/N=C/c1ccc(OCc2ccccc2)cc1 1297788 WHBIQUUVBYYLJQ-UDWIEESQSA-N 350.378 2.387 50 40 FEGB C/C(CC(=O)Nc1cc(C)ccn1)=N\NC(=O)C(=O)Nc1cccc(C)c1 4663431 JAVOSFKDBXOABI-OEAKJJBVSA-N 367.409 2.158 50 40 FEGB Cc1cc(C)c(NC(=O)CNC(=O)NNC(=O)c2ccoc2C)c(C)c1 40068967 NPJDAOPUDBEPNV-UHFFFAOYSA-N 358.398 2.096 50 40 FEGB CS(=O)(=O)[C@H](I)C(=O)c1ccc(Cl)cc1 96517913 SQVLKXBUPPMTAQ-VIFPVBQESA-N 358.584 2.328 50 40 FEGB CN(C)c1ccc(-n2cccc2/C=C(/C#N)C(=O)N2CCOCC2)cc1 408955676 YKTMCOYNAOCVPK-PEZBUJJGSA-N 350.422 2.309 50 40 FEGB Cc1ccc(C(=O)NNC(=O)CCCc2ccc3c(c2)CC(=O)N3)s1 78503481 NSVWSWGHLVOXRN-UHFFFAOYSA-N 357.435 2.335 50 40 FEGB Cc1ccccc1N1C[C@H](C(=O)NNC(=O)c2ccccc2Cl)CC1=O 408642958 QAINNGXGUROEPL-CYBMUJFWSA-N 371.824 2.463 50 40 FEGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2ccc(O)cc2)cc1 100874412 SGFLPXVUYSTJSF-FYJGNVAPSA-N 355.394 2.213 50 40 FEGB Cc1nc2n(C)c3ccccc3n2c1C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 728454 VGEDDVAZGWEQER-GIJQJNRQSA-N 366.337 2.400 50 40 FEGB N#C/C(=C\c1ccc(I)cc1)C(=O)N1CCOCC1 4690878 WOGMHESSSDJXMX-FMIVXFBMSA-N 368.174 2.057 50 40 FEGB O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)C(=O)NC1CC1 408611390 QUAGQYFHJUVDJQ-SRZZPIQSSA-N 355.369 2.133 50 40 FEGB NC(=O)COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1 15145089 KITZMUNGYBIBMS-SSDVNMTOSA-N 363.373 2.173 50 40 FEGB COc1ccc(OCC(=O)NNC(=O)c2cccc(-n3cccc3)c2)cc1 28638304 CLZYDLFHPFRIFH-UHFFFAOYSA-N 365.389 2.326 50 40 FEGB CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccncc2)c1 6603732 JHGAGWYDYUZKPQ-LBPRGKRZSA-N 372.450 2.208 50 40 FEGB CCc1ccc(OCC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1 8189602 OIFVQSNLZGHFKB-UHFFFAOYSA-N 364.405 2.275 50 40 FEGB N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 409225392 QBUKBDOTSZWTHE-MDWZMJQESA-N 366.333 2.005 50 40 FEGB CCOc1cc(C(=O)N/N=C\c2cccc(OCC(=O)O)c2)ccc1OC 409322706 MVAYPCZMFUOFPZ-JAIQZWGSSA-N 372.377 2.321 50 40 FEGB Cc1cc(N(CCCl)CCCl)ccc1/C=N/Nc1nnc(C)n1N 4824340 NZFBUEHTWXDWIM-VXLYETTFSA-N 370.288 2.339 50 40 FEGB CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1cc(C)ccc1OC 59433954 CVPILVHXCKHARM-UDWIEESQSA-N 355.394 2.491 50 40 FEGB O=C(N/N=C/c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1)c1ccncc1 1886071 WRGIGOOLADKLJM-QGMBQPNBSA-N 369.366 2.023 50 40 FEGB O=C(N/N=c1/c(=O)c2cccc3cccc1c32)[C@H]1COc2ccccc2O1 3353921 HCQAGVBBGHQDGY-QGSQVHNNSA-N 358.353 2.001 50 40 FEGB COc1ccc(CSCC(=O)N/N=C2/C(=O)N(C)c3ccccc32)cc1 409342283 BFEPZRBNWFDRMN-DYTRJAOYSA-N 369.446 2.425 50 40 FEGB Cc1ccc(C)c(OCC(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)c1 8302149 OMDGKUBGIVKBHR-UHFFFAOYSA-N 368.349 2.063 50 40 FEGB C[C@H]1C[C@H](C)CN(C(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)C1 9791898 ISCFARSVOYHEQS-STQMWFEESA-N 359.405 2.344 50 40 FEGB CCOc1cc(/C=C(\C#N)C(=O)NCCOC)cc(Br)c1O 6613324 SOOGJUPCTSDDJW-IZZDOVSWSA-N 369.215 2.223 50 40 FEGB O=C(/C=C/c1cccs1)NC(=S)NNC(=O)Cc1cccs1 2316586 ODILODLODUIYTH-AATRIKPKSA-N 351.478 2.087 50 40 FEGB COc1cccc2cc(/C(N)=N/NC(=O)c3ccccc3C)c(=O)oc12 20085919 QGXRYSWSQGCKAW-UHFFFAOYSA-N 351.362 2.160 50 40 FEGB Cc1occc1C(=O)NNC(=O)c1ccccc1I 670478 RZFOBJHDLWCTRG-UHFFFAOYSA-N 370.146 2.267 50 40 FEGB CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 5521559 IWUZBHKQTZJZBT-VRKREXBASA-N 356.422 2.268 50 40 FEGB COc1ccc(OC)c(/C=N\NC(=O)C(=O)N[C@@H](C)c2ccccc2)c1 12401918 REIBAJLXRQKYMS-RQZLXBNYSA-N 355.394 2.031 50 40 FEGB CCOc1ccc(C(=O)CCC(=O)NNC(=O)Cc2ccccc2)cc1 14240090 SFBDTMSSVBJWDP-UHFFFAOYSA-N 354.406 2.438 50 40 FEGB CC1(C)Cc2c(sc3nc(NNC(=O)c4ccco4)[nH]c(=O)c23)CO1 9704058 HMIDKKDQBLEYOK-UHFFFAOYSA-N 360.395 2.186 50 40 FEGB CC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCCN(C)C)=C(C)N1 68605189 PDDPIGLWKHKQIB-SFHVURJKSA-N 370.409 2.458 50 40 FEGB biogenic CC(=O)c1cccc(NC(=S)NNC(=O)Cc2ccccc2[N+](=O)[O-])c1 6511759 YMPVGYDCFFZYRS-UHFFFAOYSA-N 372.406 2.358 50 40 FEGB O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1cccc2ccccc12 109649372 XPYWPLGMZMZQCL-PYTWLRIVSA-N 350.374 2.124 50 40 FEGB CCOC(=O)COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 107917109 AMVCYSUIZMPDHQ-ODLFYWEKSA-N 371.349 2.301 50 40 FEGB CNC(=O)/C(C#N)=C/c1cn(CC(=O)NCc2ccco2)c2ccccc12 883497 GIQNUSVXKUTHRY-NTEUORMPSA-N 362.389 2.204 50 40 FEGB O=C(CNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(Cl)cc1 27770551 XDPXCHULIHLHRO-UHFFFAOYSA-N 366.204 2.184 50 40 FEGB O=C(NNS(=O)(=O)c1ccccc1)c1ccc(COc2ccccc2)o1 12978887 LMOCIIVWXSDTNX-UHFFFAOYSA-N 372.402 2.482 50 40 FEGB COc1ccc(OC)c(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c1 13847777 ZVUAEABDMUKVPL-VXLYETTFSA-N 373.365 2.450 50 40 FEGB CN(C)c1ccc(/C=N/NC(=O)Cn2cnc3ccccc32)cc1[N+](=O)[O-] 5688942 CPVSGDULHKQCBP-KEBDBYFISA-N 366.381 2.161 50 40 FEGB C[C@@H](Oc1ccccc1F)C(=O)NNS(=O)(=O)c1cccc(Cl)c1 7383649 SLKZYDYPVHSNNP-SNVBAGLBSA-N 372.805 2.256 50 40 FEGB O=c1c(Br)c(-n2cc(CCl)nn2)cnn1-c1ccccc1 3172093 TZMOMMXRVCWACI-UHFFFAOYSA-N 366.606 2.315 50 40 FEGB CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](Cc3ccccc3)[C@H]2C1 4453025 OOFGMJGFKOCVRC-RBUKOAKNSA-N 357.417 2.034 50 40 FEGB C=CCSC1=C(C#N)[C@@H](c2ccccc2[N+](=O)[O-])[C@@H](C(=O)OC)C(=O)N1 9110851 OBIQFQOKWJKEIW-ZIAGYGMSSA-N 373.390 2.252 50 40 FEGB C[C@@H]1CCc2c(C(=O)NNC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)csc2C1 225587979 CJLURVPBDUPPMU-KUTPLIDGSA-N 374.462 2.157 50 40 FEGB COc1cc(/C=C/C(=O)NNC(N)=S)ccc1OCc1ccccc1 62714640 BYPIVSHRAXNOPS-CSKARUKUSA-N 357.435 2.152 50 40 FEGB COc1ccc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)c(OC)c1 3235831 BSWDRCDBBNUBQM-UFWORHAWSA-N 356.304 2.069 50 40 FEGB Cc1cccc(OCC(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)c1C 4550991 OTRWZGBPQJSBPF-UHFFFAOYSA-N 368.349 2.063 50 40 FEGB O=C(NNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1cccc2ccccc12 409382061 XPYWPLGMZMZQCL-MGBSGCIJSA-N 350.374 2.124 50 40 FEGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cnccn1 840425 QFGVYPROYFCQJG-MRVPVSSYSA-N 355.181 2.012 50 40 FEGB O=C(N/N=C1\C(O)=Nc2c(Br)cc(F)cc21)[C@H]1CCCO1 43970980 FCZOOYALPURWBJ-SECBINFHSA-N 356.151 2.189 50 40 FEGB COc1cccc(/C=N/NC(=O)c2ccc(O)cc2)c1O[C@@H](C)C(=O)O 409237975 KQCXHBZEERKONH-VSMYLPJWSA-N 358.350 2.017 50 40 FEGB O=C(CN1CCC(CCc2ccccc2)CC1)NNC(=O)c1ccco1 9049204 PPCHSNSBLFCRGI-UHFFFAOYSA-N 355.438 2.385 50 40 FEGB CSc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@@H]3c1ccncc1 15085509 FIMCTZZKTFZHIR-VIFPVBQESA-N 369.431 2.320 50 40 FEGB CCOc1c(I)cc(/C=C(/C#N)C(N)=O)cc1OC 33408255 ZOABTDYVSADZGK-WTKPLQERSA-N 372.162 2.091 50 40 FEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1OC 4838976 RVQPHLSSAAJEQK-XSFVSMFZSA-N 359.426 2.113 50 40 FEGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OC 59503417 RFBSQMIVEDLOPK-UDWIEESQSA-N 371.393 2.191 50 40 FEGB C/C(=N\NC(=O)CNc1ccccc1)c1ccc(OCC(=O)N(C)C)cc1 13096684 AWYJOGHHEUYKQG-PXLXIMEGSA-N 368.437 2.106 50 40 FEGB CC(=O)Nc1sc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c(C)c1C#N 408722148 PHEFSVHJUGYWIK-FBCYGCLPSA-N 370.390 2.379 50 40 FEGB CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccncc2)s1 408729209 BIJGKPWWCCGFCP-WOJGMQOQSA-N 360.443 2.145 50 40 FEGB CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 102198842 IWUZBHKQTZJZBT-UGQVUOCMSA-N 356.422 2.268 50 40 FEGB COC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc(Br)cc1 57509155 PAZVSJCUASSUBN-NSHDSACASA-N 359.607 2.469 50 40 FEGB CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)c3nccnc3N)cc2C1 10406051 RKUULSWLRUQCTP-NSHDSACASA-N 373.482 2.346 50 40 FEGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1ccccc1C(F)(F)F 5635067 NYQSPUNPWDWOHW-KPSZGOFPSA-N 355.276 2.269 50 40 FEGB COc1ccc(C=NNC(=O)[C@H](C)n2cnc3ccccc3c2=O)cc1 12082256 UYDJUPWHHSMNJR-ZDUSSCGKSA-N 350.378 2.116 50 40 FEGB O=C(COC(=O)c1nc(Cl)ccc1Cl)NNC(=O)c1ccccc1 9645160 BLANDADHCQQBGX-UHFFFAOYSA-N 368.176 2.006 50 40 FEGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1OC 409243785 UFMINNALVACDMZ-GRSHGNNSSA-N 361.329 2.444 50 40 FEGB CCOc1ccccc1NC(=O)[C@@H](Cl)[C@@](O)(C(=O)OC)C(F)(F)F 2769536 QWWNXYFXKXOVTR-ZWNOBZJWSA-N 369.723 2.098 50 40 FEGB O=C(CN1CCCCCC1=O)NNC(=O)c1cc2c(s1)CCCCC2 23751015 WGBIKUQUUQZUAY-UHFFFAOYSA-N 363.483 2.181 50 40 FEGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1 38177619 ZKAKMOCBBLSUME-GIJQJNRQSA-N 356.338 2.006 50 40 FEGB CN(C)c1ccc(/C=N\NC(=O)CNC(=O)c2ccccc2Cl)cc1 34766078 XUFOCYAGLZMOOH-NHDPSOOVSA-N 358.829 2.286 50 40 FEGB O=S(=O)(c1ccccc1)N1CCC2(CC1)C[C@H](Br)CO2 11113953 OVARABZNHWXTRC-LBPRGKRZSA-N 360.273 2.394 50 40 FEGB CCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)cc1 223160933 OHFVEJRFPARLKY-NDENLUEZSA-N 353.378 2.124 50 40 FEGB Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)c1 7379653 WBNORIXFMHUKKI-UHFFFAOYSA-N 350.465 2.477 50 40 FEGB COc1cc(/C=C(/C#N)C(N)=O)ccc1OS(=O)(=O)c1ccc(C)cc1 33361030 NUZCZZRTNXONGS-ZROIWOOFSA-N 372.402 2.164 50 40 FEGB CCn1c(SCC(=O)NNC(=O)c2ccc(C)cc2)nnc1C(C)C 1364201 CHPYZGVLAUFUSK-UHFFFAOYSA-N 361.471 2.283 50 40 FEGB Cc1cc(C)n(CC(=O)NNC(=O)CSCc2cccc(Cl)c2)n1 8292129 FVORMWHJFZDNNB-UHFFFAOYSA-N 366.874 2.234 50 40 FEGB O=C(/C=C/c1cccs1)NNC(=O)CCC(=O)NCc1ccccc1 2546294 JDEXLHFVOLQQBI-CMDGGOBGSA-N 357.435 2.005 50 40 FEGB C#CCN1C(=O)/C(=N\NC(=O)COc2cccc(Cl)c2)c2ccccc21 18148774 JVFGLDNJERUOKK-PYCFMQQDSA-N 367.792 2.219 50 40 FEGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccco1)S(C)(=O)=O 408783748 QMASDBBDKNXGNC-RQZCQDPDSA-N 369.830 2.158 50 40 FEGB O=C(CSc1nc2ccccc2[nH]1)N/N=C\c1cccc([N+](=O)[O-])c1O 36186243 QILGLFPHPOIYEX-IUXPMGMMSA-N 371.378 2.419 50 40 FEGB Cc1occc1C(=O)NNC(=O)NCc1cccc(NC(=O)C2CC2)c1 40068966 UUMYZQULTAEJCC-UHFFFAOYSA-N 356.382 2.081 50 40 FEGB O=C(N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O)c1ccncc1 16546113 OKTQUNUGMKDVDY-APSNUPSMSA-N 365.143 2.222 50 40 FEGB C=CCNC(=O)CC(=O)N/N=C/c1ccccc1OCc1ccccc1 5377310 NMHPTBHLQUIAAH-HYARGMPZSA-N 351.406 2.408 50 40 FEGB CCn1c(O)c(C(=O)NNC(=O)c2cccc(C)c2)c(=O)c2ccccc21 5432355 SEPHBSFLMDPZIJ-UHFFFAOYSA-N 365.389 2.110 50 40 FEGB C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)COc1cccc(F)c1 2663497 CHDRBNMAJIGQCV-NSHDSACASA-N 366.776 2.473 50 40 FEGB CC1=C(C(=O)OC(C)(C)C)[C@]2(C(=O)N1C)C(C#N)=C(N)Oc1ccccc12 4517037 BSAFIUGZSPIUNU-HXUWFJFHSA-N 367.405 2.098 50 40 FEGB Cc1cccc(OCCCC(=O)NNC(=O)COc2ccccc2C#N)c1 6981863 IJRXGCNLEVTWOZ-UHFFFAOYSA-N 367.405 2.252 50 40 FEGB CC1(CC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)OCCO1 59502770 XZFUMUXTXASVSG-YBFXNURJSA-N 358.350 2.248 50 40 FEGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cccnc1O 12979515 DKOXITXHRCZRFR-UHFFFAOYSA-N 363.373 2.294 50 40 FEGB COc1cc([N+](=O)[O-])cc2cc(C(=O)NNC(=S)NC(C)(C)C)oc12 408588803 ZCJPEKNOOGIFJG-UHFFFAOYSA-N 366.399 2.257 50 40 FEGB COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCC(=O)O 408977411 IUJQMDYZMLRMMH-VGOFMYFVSA-N 355.350 2.219 50 40 FEGB O=C1NC2(CCCCC2)C(=O)N1CCCN(CCCl)CCCl 5566778 JHZPQZNYZMNNPY-UHFFFAOYSA-N 350.290 2.411 50 40 FEGB Cc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3Cl)C2=O)cc1 100902599 QDRUOAWQVBUWEH-OAHLLOKOSA-N 357.797 2.215 50 40 FEGB COc1ccc(CNC(=O)C(=O)N/N=C\c2c(F)cccc2Cl)cc1 59444767 GUGLEDNQYNTLTA-FBHDLOMBSA-N 363.776 2.254 50 40 FEGB COc1cccc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1O 409155515 QEWBGZBIMZDHHE-ZGFXFUDXSA-N 367.405 2.212 50 40 FEGB CCCN(C)c1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 65538074 WZOYWVLXPGLXRH-GOSISDBHSA-N 369.421 2.134 50 40 FEGB O=C(CO/N=C/c1ccccc1Cl)N/N=C1/C(=O)Nc2ccccc21 6473572 UQXMZIIBCCJOHO-DJKKODMXSA-N 356.769 2.163 50 40 FEGB CCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(Cl)cc2)s1 408732561 WYIZRZSXLQNGSV-LZYBPNLTSA-N 351.819 2.233 50 40 FEGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccc(F)cc1 409221226 MXBOZHADAGTTHR-FYJGNVAPSA-N 357.385 2.435 50 40 FEGB O=C(N/N=C\c1ccc2c(c1)CCC2)C(=O)N/N=C\c1ccc2c(c1)CCC2 34911782 OSTIMSSZKRFOAT-GACBQCINSA-N 374.444 2.264 50 40 FEGB COc1cc(OC)cc(C(=O)N/N=C\c2ccc(N3CCOCC3)cc2)c1 35396385 QSEPHELGWFWPCK-STZFKDTASA-N 369.421 2.304 50 40 FEGB O=C(NNC(=O)C1(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 44341755 ZIGFBKZPRJPYGJ-UHFFFAOYSA-N 356.353 2.090 50 40 FEGB C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)CBr)cc1 35604962 FHJFEJCDNRKCBZ-UHFFFAOYSA-N 373.272 2.383 50 40 FEGB CCOC(=O)c1c(C)[nH]c(NC(=O)NNC(=O)c2ccc(OC)cc2)c1C 8338084 IVRAVFXAIWPWTF-UHFFFAOYSA-N 374.397 2.283 50 40 FEGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccccc1F 6334306 HXYINLSBVIWSJN-UHFFFAOYSA-N 366.776 2.393 50 40 FEGB COc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C 8549721 CEYQAFYNLNABMJ-UHFFFAOYSA-N 369.421 2.492 50 40 FEGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(Cl)cc2)cc1 223157197 FHHSOGXKTBTCIE-GRSHGNNSSA-N 359.769 2.215 50 40 FEGB O=C=Nc1ccc(OC(=O)COCC(=O)Oc2ccc(N=C=O)cc2)cc1 167876671 LZGVWPTXSHEELT-UHFFFAOYSA-N 368.301 2.149 50 40 FEGB O=C(O)c1cccc(N[C@@H]2SC(=O)N(CCBr)C2=O)c1 12113065 MRAKLTCZJMCTEI-SECBINFHSA-N 359.201 2.213 50 40 FEGB COc1cc(C(=O)N/N=C2\CCCC[C@H]2[N+](=O)[O-])cc(OC)c1OC 17064545 LSSLAQSBYKYCQY-PBSOMRJOSA-N 351.359 2.018 50 40 FEGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2C)cc1 3092222 KJWORNFPUGILMI-RGVLZGJSSA-N 353.378 2.179 50 40 FEGB O=S(=O)(NC[C@H](Br)CBr)c1ccccc1 104103478 CVWDPKUSMCJHMB-MRVPVSSYSA-N 357.067 2.123 50 40 FEGB COc1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N(C)C 408996045 NTAKKELMJDBEPF-YBFXNURJSA-N 372.381 2.199 50 40 FEGB COc1cccc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c1OC 13847802 QQGRRDKAQQIQGJ-VXLYETTFSA-N 373.365 2.450 50 40 FEGB C/C(=N\NC(N)=O)c1ccc(N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)cc1 4652709 OKZPTHMEONFRHS-NEBKDIACSA-N 360.801 2.101 50 40 FEGB Cc1ccc(S(=O)(=O)N2C[C@H](Br)C(=O)C(C)(C)C2)cc1 91301863 OGLJPDCEBNTHAD-LBPRGKRZSA-N 360.273 2.358 50 40 FEGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(OC)ccc1OC 3049750 DETGARGJHLFHRV-UDWIEESQSA-N 371.393 2.191 50 40 FEGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc(Cl)c1O 8571295 JRGGDJDZGWQUDG-DJKKODMXSA-N 361.785 2.451 50 40 FEGB N#C/C(=C/c1cn(CC(N)=O)c2ccccc12)C(=O)NCc1ccccc1 107852771 CMYLRCVRLJBFJM-YBEGLDIGSA-N 358.401 2.350 50 40 FEGB C[C@H]1CCc2c(C(=O)NNC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)csc2C1 102207216 CJLURVPBDUPPMU-WLNMLXKZSA-N 374.462 2.157 50 40 FEGB COc1ccc([C@@H](C)NC(=O)C(=O)N/N=C/c2ccccc2OC)cc1 408721372 QEMNFWVAGZYYPI-HMHKGCENSA-N 355.394 2.031 50 40 FEGB C/C(=N\NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccccc1 409118047 SCJRRANEEMSHRC-CPNJWEJPSA-N 363.414 2.132 50 40 FEGB CCOc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1Cl 408995677 KNPIZUQNKLXGPB-NVMNQCDNSA-N 360.241 2.174 50 40 FEGB C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)C[C@H](OC(=O)CC(C)C)[C@H]12 255897386 XZPCFZLGAZNCOI-IEYLRFJHSA-N 362.422 2.270 50 40 FEGB biogenic,in-vitro Cc1ccsc1/C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1 19826174 TVKUPSWHGFQZGE-MOSHPQCFSA-N 356.495 2.324 50 40 FEGB NC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 3319437 YTLOOWBQOOMEAC-SRZZPIQSSA-N 363.377 2.313 50 40 FEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)COc1cccc(C)c1 1054252 LTLSGBZYVWDUPX-VXLYETTFSA-N 373.365 2.450 50 40 FEGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OCC)c1OCC(=O)O 59334899 KHGAHMKHQUNWOL-DHDCSXOGSA-N 358.394 2.272 50 40 FEGB COc1cc(/C=N/NC(=O)COc2ccccc2C)cc([N+](=O)[O-])c1O 36020383 CJNOQMHXSWPGMF-GIJQJNRQSA-N 359.338 2.147 50 40 FEGB Cc1cc(C(=O)NNC(=O)c2ccc(N3CCCCC3=O)cc2)c(C)o1 27618069 NDGJCSUYDULWNX-UHFFFAOYSA-N 355.394 2.488 50 40 FEGB O=C(NCC1CC1)NNC(=O)C1(c2ccc3c(c2)OCO3)CCCCC1 65191527 BINRRBHXVRMARK-UHFFFAOYSA-N 359.426 2.358 50 40 FEGB Cc1ccc(OCC(=O)N/N=C/c2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 4746749 RLNLLYNGMMCAAG-YBFXNURJSA-N 356.382 2.498 50 40 FEGB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)c1cccs1 8735263 IRDXADCQHGHOGC-CQSZACIVSA-N 351.472 2.230 50 40 FEGB O=C1C[C@]2(CC=CCC23OCCO3)C[C@@H](CI)O1 1585685 AFIRANYOSGVOKM-JQWIXIFHSA-N 364.179 2.207 50 40 FEGB biogenic O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(O)c(O)c1 1433492 YEXWPLVWDMUMPT-CAOOACKPSA-N 365.183 2.389 50 40 FEGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc2c1OCCO2 85409561 CYORCIMMOAOBQQ-QGZVFWFLSA-N 352.346 2.390 50 40 FEGB C/C(=N/NC(=O)c1nn(C)cc1Br)c1ccc([N+](=O)[O-])cc1 5455013 VFYLHUJBYGRPOU-NVNXTCNLSA-N 366.175 2.245 50 40 FEGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 17083865 UIBMLTCYPFJQRM-UHFFFAOYSA-N 358.225 2.203 50 40 FEGB COc1cc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc(OC)c1OC 1951996 SOKOHSBHAOTYBY-DJKKODMXSA-N 358.350 2.205 50 40 FEGB CC(C)(C)NC(=S)NNC(=O)COc1cccc(Br)c1 8301640 JQWZGRKLFZSLAL-UHFFFAOYSA-N 360.277 2.122 50 40 FEGB COCCn1c(C)cc2c(c1=O)[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2 2352472 WMEOEICUINMDPS-MRXNPFEDSA-N 355.369 2.160 50 40 FEGB Cc1ccccc1OCC(=O)NNC(=O)c1ccc(Cn2cccn2)cc1 8728772 OIPIZYMUVGAVID-UHFFFAOYSA-N 364.405 2.080 50 40 FEGB C/C(=N\NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1cccs1 409136581 XPAIJIGIXLZHPX-GZTJUZNOSA-N 369.443 2.194 50 40 FEGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1OC 5546983 GAZTXVPKFJFUOA-RGVLZGJSSA-N 355.394 2.409 50 40 FEGB Cc1cc(F)ccc1S(=O)(=O)NNC(=O)c1cc2c(s1)CCC2 22842418 MLYMGYDQAAFXTO-UHFFFAOYSA-N 354.428 2.308 50 40 FEGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2cccc(C)c2C)c1O 4598761 BUHWQVLUMSPZMU-DJKKODMXSA-N 373.365 2.455 50 40 FEGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1O 408905504 AZBIBWNFZJAKKO-RBYWHNRPSA-N 355.394 2.200 50 40 FEGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)NN=C1CCCC1 19951242 FWZARKMEFHNJAZ-UHFFFAOYSA-N 372.450 2.323 50 40 FEGB CCCOc1ccc(C(=O)NNS(=O)(=O)c2ccccc2)cc1OC 14239388 RIHSGQCJZVYKBE-UHFFFAOYSA-N 364.423 2.107 50 40 FEGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 2315002 LWXLWNZLRUQYQR-LLVKDONJSA-N 361.379 2.230 50 40 FEGB Cc1occc1C(=O)NNC(=O)NC[C@@H](O)c1ccccc1C(F)(F)F 89540657 PMBLRFOFHKAIMM-CYBMUJFWSA-N 371.315 2.284 50 40 FEGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC 409192332 WLJBRFLSDBJQBH-ZROIWOOFSA-N 358.394 2.213 50 40 FEGB CS(=O)(=O)[C@@H](Br)[C@H](O)c1ccc(Br)cc1 96518993 IEFNYPMLESCPFB-RKDXNWHRSA-N 358.051 2.248 50 40 FEGB COc1ccc(C(=O)n2c(C)c(C(=O)NN)c3ccccc32)cc1[N+](=O)[O-] 226367911 CUBNQOIAGWGLIL-UHFFFAOYSA-N 368.349 2.159 50 40 FEGB Cc1c(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)oc2c(F)cccc12 32718834 HGQVAVYEPMPTMF-HNNXBMFYSA-N 370.336 2.481 50 40 FEGB C=CCc1cc(/C=N/NC(=O)c2ccccn2)cc(OC)c1OCC(=O)O 59302752 GTJDZGTWSJDLJO-SRZZPIQSSA-N 369.377 2.046 50 40 FEGB N#CCOc1ccccc1/C=N/NC(=O)N/N=C/c1ccccc1OC#N 23402561 DHEKWYXPMQPVJW-XHQRYOPUSA-N 362.349 2.116 50 40 FEGB CCc1ccc(N(CC(=O)NN=C2CCCCC2)S(C)(=O)=O)cc1 409024431 LCUQSGLKFHHUNP-UHFFFAOYSA-N 351.472 2.451 50 40 FEGB Cc1nn(C)c(C)c1CCC(=O)NNC(=O)c1oc2ccccc2c1C 10623976 XDVAOCNXTZLMSR-UHFFFAOYSA-N 354.410 2.485 50 40 FEGB CCCOc1ccc(/C=N/NC(=O)CC(=O)NCC(C)C)cc1OCC 408718632 MQJPHNCGBHXUQM-FYJGNVAPSA-N 363.458 2.487 50 40 FEGB O=S1(=O)C[C@H](Br)[C@](Br)(c2ccccc2)C1 3066887 DFPRPSAKDXJTRA-VHSXEESVSA-N 354.063 2.469 50 40 FEGB Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)NC3CCCCC3)ccc12 2663404 GSQYBDWFIILQNZ-UHFFFAOYSA-N 373.409 2.143 50 40 FEGB CCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 652053 RKSVOUNLWDNSDA-UHFFFAOYSA-N 356.338 2.018 50 40 FEGB COc1cc(C(=O)NNC(=O)CCc2ccccc2)cc(OC)c1OC 4662581 OQOGAPZIKDVGPY-UHFFFAOYSA-N 358.394 2.106 50 40 FEGB O=C(CCC(=O)N/N=C/Cc1ccccc1)N/N=C/Cc1ccccc1 5946643 IJJSKVHUJCWZGQ-YHARCJFQSA-N 350.422 2.456 50 40 FEGB C/C(N)=C(\C#N)C(=O)COC(=O)c1csc(NCc2ccccc2)n1 96499143 RYQZRPQZVCKIOD-QBFSEMIESA-N 356.407 2.237 50 40 FEGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1cccc([N+](=O)[O-])c1 408973969 SCLNXXYGXXEQTL-MBTVCVBTSA-N 366.377 2.061 50 40 FEGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NC(=O)Nc1ccc(C)c(Cl)c1 6215948 JUVWDFYAMCAYJO-JYRVWZFOSA-N 358.785 2.493 50 40 FEGB COC(=O)c1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(F)cc2)cc1 3049690 RQKLMZPBDCDGAH-CIAFOILYSA-N 371.368 2.481 50 40 FEGB COC(=O)/C(CC(=O)c1ccc(N(C)C)cc1)=N\NC(=O)c1ccccc1 4608559 LZBCNERGFNWYKC-FXBPSFAMSA-N 367.405 2.284 50 40 FEGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc([N+](=O)[O-])c1O 408964689 DCYWQHKURDDNIX-AWQFTUOYSA-N 372.312 2.474 50 40 FEGB COc1cc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc(OC)c1OC 704530 OTBDJNDSKRBSQH-VCHYOVAHSA-N 359.338 2.385 50 40 FEGB CCN1C(=O)N2[C@@H](OC)c3ccccc3[C@@H](Br)[C@]2(OC)C1=O 5807719 IKPLENIVMBEZNR-XUJVJEKNSA-N 369.215 2.408 50 40 FEGB COc1ccc(/C(C)=N/NC(=O)[C@H]2COc3ccccc3O2)cc1OC 5222308 GQGBEZQDTHDFJC-BAOGCXAUSA-N 356.378 2.384 50 40 FEGB COc1cc(OC)cc(C(=O)N/N=C\c2ccc(OC)c([N+](=O)[O-])c2)c1 58885213 POUUJJDPAVGDGR-ZDLGFXPLSA-N 359.338 2.385 50 40 FEGB Cc1cc(C)cc(NC(=S)NNC(=O)Cn2nnc3ccccc32)c1 7520763 PDIQZWFGQRLING-UHFFFAOYSA-N 354.439 2.066 50 40 FEGB CCOc1ccc(C(=O)NNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1 28582096 CMVGFCVANQLRFJ-UHFFFAOYSA-N 355.394 2.316 50 40 FEGB COC(=O)c1ccc(OCC(=O)N/N=C\c2ccc(OC)c(OC)c2)cc1 33351019 QJKSNFTUOMZPJX-JAIQZWGSSA-N 372.377 2.020 50 40 FEGB CCN1C(=O)N2[C@@H](OC)c3ccccc3[C@H](Br)[C@@]2(OC)C1=O 5807716 IKPLENIVMBEZNR-SLEUVZQESA-N 369.215 2.408 50 40 FEGB CCc1sc(C(=O)NNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1C 12675664 ILTBLGLGKXSKEO-GFCCVEGCSA-N 363.483 2.171 50 40 FEGB Cc1cccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1 3081046 SDGFJQXIJKZZEU-CAOOACKPSA-N 374.309 2.046 50 40 FEGB CCCc1cc(C(=O)NNC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)cs1 6636470 FJCJOGAMRAYXOZ-BVIHXZOGSA-N 362.451 2.375 50 40 FEGB COc1ccc(-c2cc(C(=O)NN)nn2-c2ccc(C)cc2)c(OC)c1 59472515 ZKWVMLQJGLLJKT-UHFFFAOYSA-N 352.394 2.468 50 40 FEGB COc1ccc(C(=O)NNC(=O)CSCCc2ccccc2)cc1OC 12752597 RJPTYBRKHBNYIV-UHFFFAOYSA-N 374.462 2.441 50 40 FEGB C[C@@H]1C[C@H]1C(=O)NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 12822460 OUTANPYBFFNBNR-RKDXNWHRSA-N 368.315 2.014 50 40 FEGB O=C(COc1ccccc1)N/N=C1\C(=O)Nc2ccc(Br)cc21 5093755 DYTHXROEIDTTPT-UHFFFAOYSA-N 374.194 2.301 50 40 FEGB CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1O 195468043 HGLRBQHXIBHZTD-SDDRHHMPSA-N 365.510 2.079 50 40 FEGB COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1 5916833 GBHVNCZHJCHDLB-UHFFFAOYSA-N 363.826 2.298 50 40 FEGB O=C(CCCCC(=O)OCCBr)OCCBr 4720892 VUXAELXLWNGNLX-UHFFFAOYSA-N 360.042 2.423 50 40 FEGB CC(C)(C)OC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 40009534 IHGNICMWVXPJDO-JTQLQIEISA-N 353.806 2.249 50 40 FEGB CCOC(=O)Cc1[nH]nc2c1[C@@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 8569132 IHVXPFJWWAKLPT-MRXNPFEDSA-N 363.377 2.215 50 40 FEGB COC(=O)COc1cccc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)c1 59472868 INJYVGUFXAXODO-TYJAPOHBSA-N 356.378 2.076 50 40 FEGB O=C(NNc1ccc(F)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 40069336 AFLMUMSZKYKNDK-INIZCTEOSA-N 363.414 2.122 50 40 FEGB Cc1cc(/C=C/C(=O)NNC(=O)[C@@H]2CCCO2)c(C)n1-c1ccccc1 32259465 GKOZJGQCJWNVKO-ZGKFYVQTSA-N 353.422 2.434 50 40 FEGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c1C 14189082 XSDHAKXTWYMRBM-LBPRGKRZSA-N 361.373 2.202 50 40 FEGB O=C(COc1ccccc1F)NNC(=O)c1c[nH]nc1-c1ccc(F)cc1 8710023 KVAVNLYSQPIYMZ-UHFFFAOYSA-N 372.331 2.195 50 40 FEGB COc1cccc2cc(/C(N)=N/NC(=O)c3ccc(C)cc3)c(=O)oc12 32601323 VGIGVPMPPDUPMV-UHFFFAOYSA-N 351.362 2.160 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccco2)ccc1OCC(=O)OC(C)C 408605922 ZFHSVYOIFXIRNW-VXLYETTFSA-N 360.366 2.383 50 40 FEGB Cc1cc(/C=N/NC(=O)C(N)=O)c(C)n1-c1cccc(Cl)c1Cl 44060959 OHZRINSEUKTORE-FBCYGCLPSA-N 353.209 2.336 50 40 FEGB O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Cl)cc1 13622962 WCHNYNDQMFXTEG-HNNXBMFYSA-N 371.824 2.150 50 40 FEGB O=C(C[C@@H]1C(=O)Nc2c(F)cccc21)NNc1nc(O)c2ccccc2n1 1182919318 ACMOQPCMKQOYMT-NSHDSACASA-N 367.340 2.044 50 40 FEGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccccc2)cc1C 2134312 YIKRAKSRJRVUQL-UHFFFAOYSA-N 369.421 2.249 50 40 FEGB CCOc1cc(/C=N/NC(=O)CCC(=O)NCc2ccccc2)ccc1O 4523901 DNQAMOJOSDIKSW-HYARGMPZSA-N 369.421 2.338 50 40 FEGB Cc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc(Cl)cc1 5422608 BHSFBRYOGDKBOS-UHFFFAOYSA-N 354.815 2.037 50 40 FEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(C#N)cc1F 4700094 HRZZWYHUYSWYBX-AWQFTUOYSA-N 372.312 2.387 50 40 FEGB CN(C)c1ccc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)cc1 4140682 ZTVFVOVIXWJPOR-ZFJBLLOBSA-N 364.449 2.219 50 40 FEGB CC(=O)c1cccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 9996260 HPHHPJGREKUCLG-CYBMUJFWSA-N 374.368 2.022 50 40 FEGB COc1cccc(/C=N/NC(=O)c2cccc(F)c2)c1O[C@@H](C)C(=O)O 409250772 NWJOJNSXBCUIMJ-KKBVUKDESA-N 360.341 2.450 50 40 FEGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(N2CCOCC2)cc1 1040511 SJGQKMUIJVQXHO-GOSISDBHSA-N 369.421 2.168 50 40 FEGB O=C(COC(=O)/C=C/c1cccc(Cl)c1)NNC(=O)c1ccccc1 5745143 JNEXAVPUHHWGET-MDZDMXLPSA-N 358.781 2.358 50 40 FEGB C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)C[C@H](OC(=O)CC(C)C)[C@@H]12 958318598 XZPCFZLGAZNCOI-YQVWRLOYSA-N 362.422 2.270 50 40 FEGB biogenic,in-vitro CCOc1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 20100757 WMNDEADNEINYFA-VCHYOVAHSA-N 359.338 2.228 50 40 FEGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1ccccc1[N+](=O)[O-] 408973976 SJDBFSTWLNEMIP-YODDIOPGSA-N 366.377 2.061 50 40 FEGB COc1ccc(C(=O)NNC(=O)CSc2nc(C)cs2)cc1OC 9885442 ITXDDFAPOAVLQR-UHFFFAOYSA-N 367.452 2.022 50 40 FEGB CCN1CCN(C(=O)[C@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)CC1 217941416 DHRDDRIHTXQAJH-DQYPLSBCSA-N 371.319 2.309 50 40 FEGB O=C(COc1ccccc1O)N/N=C/c1cc(Br)ccc1O 3168110 NJQDHNAILZXGHM-CAOOACKPSA-N 365.183 2.389 50 40 FEGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN3CCOCC3)c2C)cc1 19851584 AZORKRATUICOPW-FYJGNVAPSA-N 354.454 2.185 50 40 FEGB CCCOC(=O)[C@@H](Br)[C@H](Br)C(=O)OCCC 1627258 CFUJCIOCXQWFHI-YUMQZZPRSA-N 360.042 2.420 50 40 FEGB COc1cc(C(=O)NNC(=O)/C=C/c2cccs2)cc(OC)c1OC 1298154 KXEZNFJPULEXLW-VOTSOKGWSA-N 362.407 2.248 50 40 FEGB C/C(=N/NC(=O)CN1CCN(Cc2ccccc2)CC1)c1ccccc1 20170976 YQNMPYWXABFYBW-PYCFMQQDSA-N 350.466 2.345 50 40 FEGB O=C(NNS(=O)(=O)c1cc(F)ccc1F)C12CC3CC(CC(C3)C1)C2 20627731 SANPSFAJVIRKCV-UHFFFAOYSA-N 370.421 2.491 50 40 FEGB O=C1N[C@@H]2CS[C@H](CCCCC(=O)Oc3ccc([N+](=O)[O-])cc3)[C@H]2N1 4521218 YUDNXDTXQPYKCA-NFAWXSAZSA-N 365.411 2.226 50 40 FEGB NC1=N/C(=N\NC(=O)COc2cccc(Br)c2)c2ccccc21 5528385 IBRDEEDEEULMFR-UHFFFAOYSA-N 373.210 2.025 50 40 FEGB CC(=O)C1=C(O)C(=O)N(CCBr)[C@H]1c1ccc([N+](=O)[O-])cc1 4954352 MKWWIDNVYLLTNN-LBPRGKRZSA-N 369.171 2.274 50 40 FEGB O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccco1 409032122 IJBBSMGILUSIHV-MKMNVTDBSA-N 354.116 2.420 50 40 FEGB COc1c(Br)cc(/C=C(/C#N)C(=O)N(C)C)cc1[N+](=O)[O-] 408858525 PUUKUUJRZNPNSN-WTKPLQERSA-N 354.160 2.361 50 40 FEGB N#C/C(=C\c1cn(CC(=O)N2CCCC2)c2ccccc12)C(=O)NC1CC1 890599 JABMWQGTVHXMMO-RVDMUPIBSA-N 362.433 2.449 50 40 FEGB COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@H](C#N)C(=O)N1 859036 SUPKSHCRRGHWOL-HZMBPMFUSA-N 361.810 2.335 50 40 FEGB O=C(Cl)Cc1cccc(-c2nn3c(CC(=O)Cl)nnc3s2)c1 100677355 LYYBOEBANZAYQE-UHFFFAOYSA-N 355.206 2.469 50 40 FEGB CCN1C(=O)/C(=N\NC(=O)c2cncc(Br)c2)c2ccccc21 5791888 SPYMAKGZLPDQRO-RGEXLXHISA-N 373.210 2.345 50 40 FEGB Cc1ccc(S(=O)(=O)NNC(=O)c2cncn2-c2ccccc2)c(C)c1 7131707 OPPMBXIJHSRRDK-UHFFFAOYSA-N 370.434 2.112 50 40 FEGB C/C(=N/NC(N)=O)C(=S)Nc1ccc(I)cc1 68572199 ZJLXRARAMZZHDC-NSIKDUERSA-N 362.196 2.075 50 40 FEGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc2c1OCO2 35304286 XXWYSUVGBGJLBK-NVMNQCDNSA-N 357.322 2.025 50 40 FEGB COc1ccc(/C=N\NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1OC 31776089 UGZUJNKEFMXSRO-ZDLGFXPLSA-N 359.338 2.141 50 40 FEGB CCO[C@]1(O)C(=O)[C@@]2(CBr)CC[C@H]1[C@]2(C)CBr 675029570 BIWONTPIKNWESF-VGDYDELISA-N 370.081 2.487 50 40 FEGB CCOc1cc(/C=N/NC(=O)COc2cccc([N+](=O)[O-])c2)ccc1O 1433606 CIXWTCAMWKXFMP-VCHYOVAHSA-N 359.338 2.228 50 40 FEGB CC[C@H](Br)C(=O)NCCC(=O)Nc1cccc(C(=O)OC)c1 8733064 KYOVBNJPZCFAMB-LBPRGKRZSA-N 371.231 2.092 50 40 FEGB COC1=NN(CI)[C@H](c2ccc([N+](=O)[O-])cc2)N=C1 978093 BRXWSICQFSJPEL-LLVKDONJSA-N 374.138 2.332 50 40 FEGB CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1cc(OC)ccc1OC 57509014 UMICSKCARZATFA-AWEZNQCLSA-N 354.790 2.114 50 40 FEGB Cn1/c(=N\NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2ccccc21 3203611 KXBSCUYOQKSGCJ-BMRADRMJSA-N 373.350 2.302 50 40 FEGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)OCC(=O)NCc1ccccc1 3230366 UEYCVKYMNRWPQS-LZYBPNLTSA-N 364.357 2.182 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccccn2)cc(Br)c1O 1021444 DJPXMQUAHRCDIG-CAOOACKPSA-N 350.172 2.322 50 40 FEGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)CC(=O)N1 6326371 KXOIRORHYGGCIK-ZDUSSCGKSA-N 374.418 2.108 50 40 FEGB CCCCCCCC(=O)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 102819372 NYGKTFHWUUMPKL-UHFFFAOYSA-N 370.453 2.464 50 40 FEGB CCOC(=O)Cc1[nH]nc2c1[C@H](c1ccc(F)c(F)c1)C(C#N)=C(N)O2 663126 RDVLZNKOXIFNSP-CQSZACIVSA-N 360.320 2.012 50 40 FEGB CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)cc2)s1 408731961 RERDCLCUQDJBMH-LICLKQGHSA-N 361.427 2.065 50 40 FEGB COC(=O)c1ccc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc1 36144854 VMQQHDQMHRANJU-NDENLUEZSA-N 356.378 2.183 50 40 FEGB COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)c([N+](=O)[O-])cc1OC 7009380 BHRHHURAYFGCLR-KEBDBYFISA-N 372.381 2.483 50 40 FEGB CC1(C)OC(=O)C(=C2[C@H]3[C@@H]4[C@H]5C[C@H]3[C@H]3[C@@H]2[C@H]([C@@H]4Br)[C@H]53)C(=O)O1 575318869 RJGIOBOOMIYNRD-NQSWXZITSA-N 365.223 2.270 50 40 FEGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccncc1 3150993 WUKPZHGDHYWFPY-GIJQJNRQSA-N 364.199 2.382 50 40 FEGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC)cc1OC 7782488 CGGCSYFVNPUTEX-UDWIEESQSA-N 371.393 2.191 50 40 FEGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccccc1C(=O)O 59444390 FRLKCRDLHYFZEC-DJKKODMXSA-N 359.769 2.435 50 40 FEGB COc1ccc(Cl)cc1N(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1 40177620 QDABGCPLMGRTDU-SNVBAGLBSA-N 352.239 2.108 50 40 FEGB CCCN1C(=O)/C(=N\NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 5643732 CZEJJDJIJILETP-VVDBFAKWSA-N 365.389 2.104 50 40 FEGB O=C(Nc1ccccc1)[C@H](Br)[C@H](Br)C(=O)O 1688860 LDRRHBOONXUHLL-SFYZADRCSA-N 350.994 2.237 50 40 FEGB CC(C)c1n[nH]c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)C(C#N)=C(N)O2 1066762 WEMVTEHVQLCPFC-CYBMUJFWSA-N 369.337 2.388 50 40 FEGB CCCOc1ccc(C(=O)NNC(=O)c2ccc3[nH]cnc3c2)cc1OC 12544326 HKZLWAHBEOLZJK-UHFFFAOYSA-N 368.393 2.435 50 40 FEGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(Cl)c1O 409272354 YGLNHAKTNBTCJD-UFWORHAWSA-N 365.748 2.282 50 40 FEGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1O 7813066 NTGYVQKASBHTKG-RGVLZGJSSA-N 355.394 2.497 50 40 FEGB CC1=C(C(=O)OCC(C)C)[C@]23C(=O)c4ccccc4[C@@]2(O1)OC(N)=C3C#N 685711 BYHDZUGZPZTKLS-WOJBJXKFSA-N 366.373 2.250 50 40 FEGB CCOc1ccc(/C=N/NC(=O)Cc2cn3ccsc3n2)cc1OC 12653650 HFXVQFYGLZFYEF-VCHYOVAHSA-N 358.423 2.496 50 40 FEGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 408607486 DGIWXDUFUWWBHV-LPYMAVHISA-N 369.421 2.251 50 40 FEGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc([N+](=O)[O-])c3)CC2=O)cc1 33907690 ZCMOGMGGCGXSIJ-PFHZTYADSA-N 366.377 2.406 50 40 FEGB COc1cc(/C=N\NC(N)=O)ccc1OCC(=O)Nc1ccc(C)cc1 136143271 SBJUUMYJGHZSIV-JMIUGGIZSA-N 356.382 2.023 50 40 FEGB CC1(C)OC(=O)C(=C2[C@@H]3[C@@H]4[C@@H](Br)[C@H]5[C@H]6C[C@@H]([C@@H]25)[C@@H]3[C@H]64)C(=O)O1 101052466 RJGIOBOOMIYNRD-ZWICESIASA-N 365.223 2.270 50 40 FEGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 59433984 ZNVOCOWZIVNBIF-VCHYOVAHSA-N 356.338 2.001 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1O 66200711 FBVJGBUCTSNXFH-VXLYETTFSA-N 357.366 2.132 50 40 FEGB CCOC(=O)Cc1[nH]nc2c1[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 660235 ZFROBVICUDJAJN-CQSZACIVSA-N 358.785 2.387 50 40 FEGB CCOC(=O)CSC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 9110477 NEBXCODPOVARQO-LBPRGKRZSA-N 361.379 2.230 50 40 FEGB CC1=C(C(=O)OC(C)C)[C@@]23C(=O)c4ccccc4[C@]2(O1)OC(N)=C3C#N 808722 IARGRXDKCRNPFY-OALUTQOASA-N 352.346 2.002 50 40 FEGB Cc1cc(C)c(C#N)c(SCC(=O)NNC(=O)Cc2ccccc2)n1 4959717 ZLUPEHDDBWMESD-UHFFFAOYSA-N 354.435 2.052 50 40 FEGB CC(C)=NNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 57429450 MQIRATQYWNNQCM-UHFFFAOYSA-N 352.243 2.271 50 40 FEGB Cc1ccc(COc2ccc(/C=N/NC(=O)CN3CCOCC3)cc2)cc1 408719663 JHGBSKDNKJVNRU-HYARGMPZSA-N 367.449 2.356 50 40 FEGB COc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)ccc1OCC#N 33656281 YQTVKJJOBDFAJN-FYJGNVAPSA-N 352.394 2.427 50 40 FEGB O=C(Cc1ccc(Cl)cc1)NC(=S)NNC(=O)c1cccs1 14002164 TUXOCQLSSXYYAV-UHFFFAOYSA-N 353.856 2.280 50 40 FEGB O=C(O)COc1ccccc1/C=N/NC(=O)COc1ccccc1Cl 830862 BWVFYZJJWUWQGH-DJKKODMXSA-N 362.769 2.333 50 40 FEGB O=C(NN/C=C1\SC(=S)N(c2ccccc2)C1=O)c1ccncc1 1247953 NPCQRDZUGUJIQB-RAXLEYEMSA-N 356.432 2.222 50 40 FEGB COc1cccc(/C=N/NC(C)=O)c1OCC(=O)Nc1ccc(F)cc1 409016857 WDJZQWGVDMYUJV-KEBDBYFISA-N 359.357 2.322 50 40 FEGB O=C(CCC(=O)c1ccc2c(c1)CCC2)NNC(=O)c1ccccc1O 17576634 LDCHFPFYSHHGPF-UHFFFAOYSA-N 352.390 2.305 50 40 FEGB CNS(=O)(=O)c1cccc(C(=O)NNc2ccc(C)c(Cl)c2)c1 30550229 UABJIBJVMRQDSF-UHFFFAOYSA-N 353.831 2.313 50 40 FEGB O=C(COc1ccccc1)NNC(=O)CSc1nc2ccccc2o1 7604884 NQZSDGGTSUWQKF-UHFFFAOYSA-N 357.391 2.146 50 40 FEGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1 8203723 DEKDXWZCCATACB-CYBMUJFWSA-N 371.824 2.463 50 40 FEGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(OC)c(OC)c1 59433968 WECJKYNDQKSSLM-RGVLZGJSSA-N 371.393 2.110 50 40 FEGB CCN(NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccc(C)cc1 9690248 ZWCLJHDTBPYDCN-UHFFFAOYSA-N 355.394 2.011 50 40 FEGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OCC(=O)O 408750221 YENOPAQDXDGYLV-RGVLZGJSSA-N 372.377 2.321 50 40 FEGB O=C(N/N=C\c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1)c1ccncc1 33345815 WRGIGOOLADKLJM-LSCVHKIXSA-N 369.366 2.023 50 40 FEGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(N)=O)c(C)c1 4318673 WXGZUKPQVYNPMN-GXDHUFHOSA-N 360.373 2.496 50 40 FEGB COc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)cc([N+](=O)[O-])c1O 30843521 KEPBEUDRAFWHJX-OCKHKDLRSA-N 373.365 2.455 50 40 FEGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccc3ccccc3n2)c(C)c1 12785126 DOZIASWOWQCDAS-UHFFFAOYSA-N 355.419 2.475 50 40 FEGB Cc1cc(/C=N/Nc2nncn2N)ccc1N(CCCl)CCCl 4822195 SMJZPSPMYMYLDV-GIJQJNRQSA-N 356.261 2.030 50 40 FEGB CC(=O)Nc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1ccncc1 100523042 CUBXZKFSHJEGSB-WSDLNYQXSA-N 353.382 2.175 50 40 FEGB CN1C(=O)[C@]2(c3ccccc31)[C@H]1CCCC=C1C(C#N)=C(N)C2(C#N)C#N 19816692 ZZDLIHXGIYUXEB-YCRPNKLZSA-N 355.401 2.411 50 40 FEGB CCS(=O)(=O)[C@@H](I)[C@H](O)c1cccc(F)c1 96519277 PDZQUIXIBFHRBB-NXEZZACHSA-N 358.172 2.055 50 40 FEGB COc1ccc(/C=N/NC(=O)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 2272109 HKRQZVVVXPCPOE-YBFXNURJSA-N 373.365 2.313 50 40 FEGB CC1=NN(c2ccccc2)C(=O)/C1=C\NNC(=O)c1cccc([N+](=O)[O-])c1 15974662 OTAJNOMBXQQASB-WJDWOHSUSA-N 365.349 2.136 50 40 FEGB NNC(=O)COc1ccc(-c2n[nH]cc2-c2ccc(Cl)cc2)c(O)c1 9329456 SVABQLWVZUKMQE-UHFFFAOYSA-N 358.785 2.471 50 40 FEGB CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccncc2)cc1 6603725 CDUOSPUYSCKTDQ-LBPRGKRZSA-N 372.450 2.208 50 40 FEGB C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=S)NC(=O)c1ccco1 2096256 LCFWDEDFGYEOSX-VIFPVBQESA-N 367.814 2.036 50 40 FEGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(OCC(N)=O)cc1 4476362 DIQNYXZDARQLBQ-QGZVFWFLSA-N 367.405 2.002 50 40 FEGB O=C(Cc1nc(-c2ccccc2)n[nH]1)N/N=C/c1ccc([N+](=O)[O-])cc1 408732872 UHIIWMNORBHCNO-WOJGMQOQSA-N 350.338 2.073 50 40 FEGB O=C(CCc1ccccc1)NN[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 18271480 HSNKRHQQWYNDFG-MRXNPFEDSA-N 371.824 2.226 50 40 FEGB CCOc1ccccc1NC(=O)N/N=C\c1ccc(OCC(N)=O)cc1 408905453 YRSAKGNTMSDJQM-JAIQZWGSSA-N 356.382 2.105 50 40 FEGB COc1cc(OC)cc(C(=O)N/N=C/c2c(OC)cc(OC)cc2OC)c1 6229646 CANXHVXQLRJMIX-RGVLZGJSSA-N 374.393 2.494 50 40 FEGB COc1ccc(Br)cc1C(=O)N/N=C/c1cn(C)nc1C 1073939 KCMBHBRYTJNDEC-FRKPEAEDSA-N 351.204 2.264 50 40 FEGB CCOc1ncccc1C(=O)NNC(=O)c1ccc2c(c1)nc(C)n2CC 6634493 YVKGZORKHUVQGD-UHFFFAOYSA-N 367.409 2.233 50 40 FEGB CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2OC)cc1 59433956 OTBAVLXGBKUQHY-UDWIEESQSA-N 355.394 2.491 50 40 FEGB COc1cccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c1OC 2055539 ZAZJBIZJHFKGBC-HMHKGCENSA-N 355.394 2.031 50 40 FEGB C=CCOc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccco2)cc1 8554699 JTGLJWNQLFWCJB-MDZDMXLPSA-N 371.418 2.193 50 40 FEGB CCOc1ccc(C(=O)NNC(=O)C[C@H](NC(C)=O)c2ccccc2)cc1 8373971 PRPPMPLREUKDCW-SFHVURJKSA-N 369.421 2.114 50 40 FEGB O=C(NNC(=O)c1c[nH]c2ccc(Cl)cc2c1=O)c1ccccc1F 28580170 ALVXAYGYVLGMRE-UHFFFAOYSA-N 359.744 2.395 50 40 FEGB COC(=O)COc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1 408866365 GZSWBAIEDXFTJJ-YBFXNURJSA-N 358.419 2.481 50 40 FEGB C[C@H](Oc1ccc(/C=N/NC(=O)c2cccc(N(C)C)c2)cc1)C(=O)O 33957551 VCDNNNTUAATNKF-DZUMZMOTSA-N 355.394 2.368 50 40 FEGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1ccco1 725431 TVBMOENGKVHBAI-LICLKQGHSA-N 355.379 2.076 50 40 FEGB O=C(NCc1ccncc1)C(=O)N/N=C/c1cccc(Cl)c1Cl 59444333 PQPPBCJHYDFTJZ-AWQFTUOYSA-N 351.193 2.155 50 40 FEGB O=C(OCCCl)c1ccc(N2C(=O)C[C@H](N3CCCCC3)C2=O)cc1 22145168 ONSOUWRGAOPWNH-HNNXBMFYSA-N 364.829 2.200 50 40 FEGB N#C/C(=C\c1ccccc1Br)c1nn(CCO)c(N)c1C#N 5770288 UREGKRWEHZWNBF-YRNVUSSQSA-N 358.199 2.156 50 40 FEGB CCOc1cc(/C=C(\C#N)C(N)=O)ccc1OS(=O)(=O)c1ccccc1 4996877 ZFSYIEVXIPSVIN-GXDHUFHOSA-N 372.402 2.245 50 40 FEGB O=C(Cc1cccnc1)NNC(=O)C1(c2ccc(Cl)cc2)CCOCC1 103422861 YKMIWJONSWOMQF-UHFFFAOYSA-N 373.840 2.173 50 40 FEGB Cc1ccc(C)c(C(=O)CCC(=O)NNC(=O)c2ccc3c(c2)OCO3)c1 8273117 OXMHSRGHKAKITI-UHFFFAOYSA-N 368.389 2.456 50 40 FEGB CC(C)CNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccco2)c2ccccc21 5322923 MHRYOIPZKPBCHJ-ICFOKQHNSA-N 362.389 2.477 50 40 FEGB O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc2ccccc12 4543438 JHADJKLZZDMLKV-UHFFFAOYSA-N 371.374 2.371 50 40 FEGB NC(=O)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 6675350 BPODYOAWKWSAJK-SSDVNMTOSA-N 373.372 2.221 50 40 FEGB COC(=O)Oc1ccc(/C=N/NC(=O)COc2ccccc2)cc1OC 408837352 CUAQZXYNNVCWAJ-YBFXNURJSA-N 358.350 2.370 50 40 FEGB CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OCC)c1 408609790 LMEGNBQQUMTIFV-LPYMAVHISA-N 369.421 2.251 50 40 FEGB CC(C)CNC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 32109599 OYDWHNZDJIVMJC-LPYMAVHISA-N 353.422 2.488 50 40 FEGB O=C(CCC(=O)N(CCCl)CCCl)N(CCCl)CCCl 97996151 RYOGNECZIFDWLP-UHFFFAOYSA-N 366.116 2.379 50 40 FEGB Cc1cccc(N2C(=O)C[C@H](NNC(=O)c3cccc(Cl)c3)C2=O)c1 2416944 COHALSLAAOQADP-HNNXBMFYSA-N 357.797 2.215 50 40 FEGB COc1cc(C(=O)NNc2nncc3ccccc23)cc(OC)c1OC 3086569 MXXIQWHAFFKOBK-UHFFFAOYSA-N 354.366 2.413 50 40 FEGB CCc1ccc(N(CC(=O)N/N=C/c2cccs2)S(C)(=O)=O)cc1 409028145 HWAHLZZUMGGCKO-GZTJUZNOSA-N 365.480 2.227 50 40 FEGB Cc1ccc(O)c(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1 408679867 FLBGXDSBWKUBFM-CQSLXQFASA-N 366.211 2.210 50 40 FEGB N#C/C(=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)NC(N)=O 409222831 XTGRIAVWFVHORT-ZROIWOOFSA-N 366.333 2.276 50 40 FEGB CCOC(=O)C/C(C)=N/NC(=O)CSCc1ccc([N+](=O)[O-])cc1 408720342 ZHOFMGVBBYOZSL-LFIBNONCSA-N 353.400 2.273 50 40 FEGB CCOc1cccc(/C=N\NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1O 223153410 HSJOFXCNLUOYLT-JAIQZWGSSA-N 355.394 2.497 50 40 FEGB Cc1nn(C)c(F)c1/C=N/NC(=O)[C@@H](C)n1nc(C(F)(F)F)cc1C 252481829 CTHIWEQVBZVKIW-SJGICYCKSA-N 360.315 2.103 50 40 FEGB Cc1ccccc1NCC(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 1433643 TUWLKIKXEZIZTL-UFWORHAWSA-N 356.338 2.194 50 40 FEGB CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2OC)cc1 13923603 KEEBOXDDYVEUTO-UDWIEESQSA-N 371.393 2.191 50 40 FEGB CC(C)OC(=O)[C@H]1/C(=N/NC(=O)CC#N)C[C@](C)(O)C[C@H]1c1ccccc1 100249725 NDLPWJOXTYXKLK-MJDQEYBGSA-N 371.437 2.269 50 40 FEGB Cc1ccc2[nH]c(=O)c(/C=N/NC(=O)CN3Cc4ccccc4C3)cc2c1 6607622 VXVZIZZPAQVKDM-LSHDLFTRSA-N 360.417 2.302 50 40 FEGB O=C(Cc1ccccc1F)NNC(=O)c1cncn1-c1ccc(F)cc1 12547945 XPDLWRUNCVRTPC-UHFFFAOYSA-N 356.332 2.154 50 40 FEGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(N)=O)c2C)cc1 5279861 KVONRKPIDPRXEH-DWKHYPNZSA-N 367.405 2.427 50 40 FEGB CCCCCCN1C(=O)N=C(O)/C(=C/NNC(=O)c2ccccc2O)C1=O 6782982 HBWBJIQTPRCQRH-QBFSEMIESA-N 374.397 2.010 50 40 FEGB O=C(NNS(=O)(=O)/C=C/c1ccccc1)c1cncn1-c1ccccc1 7131690 MCOXQJGXMOQNPX-VAWYXSNFSA-N 368.418 2.107 50 40 FEGB Cc1csc(CC(=O)NNC(=O)CN2CCC[C@H]2c2cccs2)n1 9502653 CMAMHKJRBVIUMS-LBPRGKRZSA-N 364.496 2.040 50 40 FEGB COc1ccc(O)cc1C(=O)NNC(=S)Nc1ccc(F)cc1F 1616022362 IQZSBHOFCRSLRF-UHFFFAOYSA-N 353.350 2.310 50 40 FEGB O=C(NNS(=O)(=O)c1ccc(F)cc1F)C12CC3CC(CC(C3)C1)C2 16154303 SVKFCHNHAVQONS-UHFFFAOYSA-N 370.421 2.491 50 40 FEGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cccc(C)c2[nH]c1=O 876444 AUIBFPFFSPAOJR-INIZCTEOSA-N 365.389 2.481 50 40 FEGB O=C(COc1ccc(Cl)cc1)NC(=S)NNC(=O)c1cccs1 6883895 JIROYIINKXXFIO-UHFFFAOYSA-N 369.855 2.116 50 40 FEGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1c(F)cccc1Cl 29604824 OJTXSEWNJSHLPG-ZDUSSCGKSA-N 350.733 2.080 50 40 FEGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)NCCOC 408808210 DPGNENSSRBLQCT-UKTHLTGXSA-N 363.211 2.131 50 40 FEGB Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c(C)c1 14241070 VPKOEBAFOYGDGY-KRWDZBQOSA-N 365.433 2.113 50 40 FEGB COc1cc([C@H](C#N)NNC(=O)Cc2ccccc2)cc(OC)c1OC 1633709 YPMNMTOQBDIYOZ-HNNXBMFYSA-N 355.394 2.141 50 40 FEGB CN1c2ccsc2/C(=N/NC(=O)c2ccc(Cl)cc2)CS1(=O)=O 1386840 PFYKUYCWPHQCAF-LFIBNONCSA-N 369.855 2.315 50 40 FEGB O=C(NNC(=O)C1(c2ccccc2)CCC1)[C@@H]1COc2ccccc2O1 25529566 NPTWFOUTRPPDTD-KRWDZBQOSA-N 352.390 2.096 50 40 FEGB CCOc1ccc(NC(=O)CCl)cc1S(=O)(=O)N1CCCCC1 8428166 WFCFRNORLBBCCG-UHFFFAOYSA-N 360.863 2.437 50 40 FEGB O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1cncc(Br)c1 36148150 IDEJCQUEWBXXOH-FZSIALSZSA-N 365.143 2.222 50 40 FEGB O=C(O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Cl)[C@H]2Cl)cc1 97941880 OOBGVVFRNDCBEK-BCFCROPCSA-N 354.189 2.355 50 40 FEGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1ccccc1N 100522772 RJJSTHDGIHIUMZ-WSDLNYQXSA-N 368.393 2.175 50 40 FEGB O=C(O)[C@H](Br)[C@H](Br)C(=O)Nc1ccccc1 1688863 LDRRHBOONXUHLL-JGVFFNPUSA-N 350.994 2.237 50 40 FEGB O=C(NCc1cccnc1)C(=O)N/N=C/c1cccc(Cl)c1Cl 59444328 HKLSUANCTJLCSR-AWQFTUOYSA-N 351.193 2.155 50 40 FEGB CC(C)C(=O)N/N=C\c1ccc(OCC(=O)NCc2ccccc2)cc1 58883322 MFRHCGLGQYDQAT-XKZIYDEJSA-N 353.422 2.488 50 40 FEGB COc1ccc(C(=O)NNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 3408782 NMVDJBQJPOLAAN-SFHVURJKSA-N 370.405 2.328 50 40 FEGB Cc1nc2ccccn2c1C(=O)N/N=c1/c(=O)c2cccc3cccc1c32 6210513 HRIBQXWDVOOLSG-PTGBLXJZSA-N 354.369 2.431 50 40 FEGB CCOC(=O)COc1ccccc1/C=N\NC(=O)Cc1ccc(F)cc1 409228789 FFERBWWLIRPFIW-MTJSOVHGSA-N 358.369 2.460 50 40 FEGB CNC(=O)/C(C#N)=C/c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 4678192 BBXCZWJAFWNYRM-PJQLUOCWSA-N 367.361 2.144 50 40 FEGB O=C(CSc1ncnc2sccc12)NNC(=O)c1cccs1 6601202 LWDQAPRSSYAKIW-UHFFFAOYSA-N 350.450 2.306 50 40 FEGB O=C1NC(=O)c2c(SSc3cccc4c3C(=O)NC4=O)cccc21 98090363 BMIRYILFHKZQCA-UHFFFAOYSA-N 356.384 2.253 50 40 FEGB O=C(Cc1ccccc1)N/N=C1\C(=O)Nc2ccc(Br)cc21 12463619 ACWZRCFRRXAERO-UHFFFAOYSA-N 358.195 2.464 50 40 FEGB Cc1ccccc1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 52411097 XTQHWHDMELWAHM-CYBMUJFWSA-N 371.824 2.463 50 40 FEGB Cc1cc(C(=O)CCl)c(C)n1NC(=O)c1n[nH]c(=O)c2ccccc12 3394181 YIHQTDMLDQZILW-UHFFFAOYSA-N 358.785 2.147 50 40 FEGB O=C(CO)N/N=C/c1ccccc1OCc1ccc(Br)cc1 4525871 IMCJVOMVHSHZFH-GIJQJNRQSA-N 363.211 2.471 50 40 FEGB CN(C)CN1C(=O)/C(=N\NC(=O)c2ccccc2Cl)c2ccccc21 19882711 UWLULLKJQIWAKJ-SILNSSARSA-N 356.813 2.340 50 40 FEGB O=C(COc1ccccc1F)NNC(=O)c1cnc(Cl)c(Cl)c1 3341936 WEOBMONOAJIZIG-UHFFFAOYSA-N 358.156 2.368 50 40 FEGB COc1cc(C)ccc1OCC(=O)NNC(=O)c1cc2c(s1)CCC2 23723132 ZBCMDLLZYDCQDQ-UHFFFAOYSA-N 360.435 2.394 50 40 FEGB C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 12822457 OUTANPYBFFNBNR-BDAKNGLRSA-N 368.315 2.014 50 40 FEGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C1\C(=O)Nc2ccccc21 5528391 VOZKUSWOOUYMSP-UHFFFAOYSA-N 370.390 2.301 50 40 FEGB CCCCC(=O)NN/C=C1/C(=O)N(c2ccccc2C)C(=S)N=C1O 8739663 IKCKWGCWBAMLAT-ZRDIBKRKSA-N 360.439 2.278 50 40 FEGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1OC 5721090 DWFJSBHRPIILAY-VXLYETTFSA-N 361.785 2.446 50 40 FEGB CSc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@H]3c1cccnc1 15085507 DRDCYBJWSUEGFI-SECBINFHSA-N 369.431 2.320 50 40 FEGB Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1633076 GQALNQDYFMCIPQ-UONOGXRCSA-N 360.757 2.013 50 40 FEGB CCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)cc2)CC(=O)N1 6324061 BRCZPXYAJBCVTJ-AWEZNQCLSA-N 359.451 2.293 50 40 FEGB O=C(O)CCCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 12137480 CBWFJMDEWKUZET-UHFFFAOYSA-N 356.378 2.135 50 40 FEGB CC(C)N1C(=O)/C(=N\NC(=O)c2ccc3c(c2)OCO3)c2ccccc21 100085824 UWCFQYGYRWWGNG-JZJYNLBNSA-N 351.362 2.304 50 40 FEGB COc1ccccc1OCC(=O)N/N=C\c1ccc(N2CCOCC2)cc1 35712527 KMRLMETXPXBQCM-STZFKDTASA-N 369.421 2.061 50 40 FEGB CCOc1cccc(/C=N/NC(=O)c2c(Br)cnn2C)c1O 1002228 WILPWKGEHOLVMZ-FRKPEAEDSA-N 367.203 2.051 50 40 FEGB Cc1cccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1 409133858 QUKMVYUOHPREJS-YBFXNURJSA-N 363.414 2.050 50 40 FEGB C/C(=N\NC(=O)COc1ccccc1C#N)[C@H]1Cc2ccccc2C(=O)O1 98054221 FVOICJKRPCVBFK-MNOULKQQSA-N 363.373 2.211 50 40 FEGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59514906 QNTPBEALDHQELT-RQZCQDPDSA-N 371.309 2.225 50 40 FEGB CO[C@H](C(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1ccccc1 2091904 KCSBBJXHICDJQW-ZUZCKIMGSA-N 374.309 2.046 50 40 FEGB CCCc1n[nH]c2c1[C@H](c1cc(OC)c3c(c1)OCO3)C(C#N)=C(N)O2 5053438 MNRUUGQWUOEDSO-CQSZACIVSA-N 354.366 2.318 50 40 FEGB biogenic,in-vitro CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1cccc2nccnc12 5120200 UZGVQUPRKIFMMC-OOXYOOLHSA-N 369.425 2.479 50 40 FEGB CCCCC(=O)[C@@H]1C(=O)[C@H](Cl)C(C)(C)[C@@](Cl)(C(=O)OC)C1=O 222073121 SMNDRXKKDMAWDI-VPJDZLOFSA-N 351.226 2.298 50 40 FEGB COc1ccc(/C(C)=N/NC(=O)COc2ccc(C#N)cc2)cc1OC 8183218 WCEQHSRRTPHZMI-FYJGNVAPSA-N 353.378 2.495 50 40 FEGB C/C(=N\NC(=O)CCN1CCN(c2ccccc2)CC1)c1ccccn1 6369224 YBJANRDXCLWWCY-OQKWZONESA-N 351.454 2.134 50 40 FEGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccccc1OC 408606815 QJOMEZWMNMTYSQ-CQSZACIVSA-N 356.407 2.253 50 40 FEGB O=C(CCl)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O 1116437625 KPLUSRNBNLMRSZ-UHFFFAOYSA-N 363.845 2.296 50 40 FEGB CC1=C(C#N)C(=O)NC(=O)/C1=C\NNc1ccc(Br)cc1C 16282750 FMVKTUKFQHZVLU-GHXNOFRVSA-N 361.199 2.054 50 40 FEGB O=C(N/N=C/c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1)c1ccco1 1848611 QYAPMVODPGXLNX-FRKPEAEDSA-N 358.339 2.221 50 40 FEGB O=C(COc1ccc(Cl)cc1)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 6594208 LSCOECNRUBSTTC-UHFFFAOYSA-N 374.740 2.100 50 40 FEGB O=C(O)c1ccc(N[C@@H]2SC(=O)N(CCBr)C2=O)cc1 12113053 JODIQDWZYIFBFW-SECBINFHSA-N 359.201 2.213 50 40 FEGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc(C(F)(F)F)cc1 664093 ODBDEUSSRWLMGK-ZDUSSCGKSA-N 364.279 2.369 50 40 FEGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)c1cccc(F)c1 1834726 OUSKZVZWCYKATF-LSHDLFTRSA-N 352.369 2.496 50 40 FEGB O=C(CSc1nncs1)NNC(=O)CC12CC3CC(CC(C3)C1)C2 79702437 QKBQKSOFPDAAPO-UHFFFAOYSA-N 366.512 2.384 50 40 FEGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Cl)cc1OC 32125469 LCCJJMJPDMEMKG-VXLYETTFSA-N 361.785 2.446 50 40 FEGB CS(=O)(=O)[C@@H](Br)C(=O)c1ccc(Br)cc1 96517826 UPWQWMKXWDWWLR-SECBINFHSA-N 356.035 2.397 50 40 FEGB CCc1sc(C(=O)NNC(=O)Cc2ccc3c(c2)OCCO3)cc1C 12674242 RTDIJNWHNWODOY-UHFFFAOYSA-N 360.435 2.394 50 40 FEGB O=C(Cn1c(-c2ccccc2)noc1=O)N/N=C/c1ccccc1Cl 5604612 SDVPEQHBPIYPPQ-VXLYETTFSA-N 356.769 2.307 50 40 FEGB O=C(Cn1cnc([N+](=O)[O-])n1)N/N=C/c1cccc(Oc2ccccc2)c1 1054564 TZLWARISQVFUKW-VXLYETTFSA-N 366.337 2.129 50 40 FEGB Cc1ncc(CO)c(/C=N/NC(=O)c2ccccc2Br)c1O 5159584 RSAYOSYNEADMQN-CNHKJKLMSA-N 364.199 2.114 50 40 FEGB CC(C)(C)c1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)cc1 6313509 UGMPONJMDZMXAR-DEDYPNTBSA-N 373.478 2.413 50 40 FEGB CN1/C(=C(\C#N)C(=O)CN2C(=O)c3ccccc3C2=O)Nc2ccccc21 100815853 JYBLXQVCUKTOJD-NBVRZTHBSA-N 358.357 2.149 50 40 FEGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)C(=O)NCC(C)C 4697849 WJLOEIGHHKNPDD-OEAKJJBVSA-N 372.469 2.158 50 40 FEGB C/C(N)=C(\C#N)C(=O)COC(=O)CCc1ncc(-c2ccc(C)cc2)o1 104834246 WWSQSCDBXIZSNC-SQFISAMPSA-N 353.378 2.451 50 40 FEGB Cc1cc2occ(CC(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)c2cc1C 25050929 OCOUNHWWCBFBDJ-HNNXBMFYSA-N 364.467 2.084 50 40 FEGB O=C(NNC(=O)[C@H](NC(=O)c1cccs1)c1ccccc1)c1ccco1 25241874 FTXOSDFYPBBFDJ-OAHLLOKOSA-N 369.402 2.273 50 40 FEGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccco1 5163512 OBCZNDZLMXGEQQ-QGOAFFKASA-N 361.423 2.218 50 40 FEGB O=C(NNc1ncnc2c1cnn2Cc1ccccc1)[C@H](O)c1ccccc1 6660929 UYYXJIBRYPVMCR-QGZVFWFLSA-N 374.404 2.051 50 40 FEGB Cc1ccc(OCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 4775391 HIDZUSCHPJOYDF-RQZCQDPDSA-N 358.310 2.341 50 40 FEGB CS(=O)(=O)[C@H](I)[C@@H](O)c1cccc(Cl)c1 96519158 SXFHGTUMENIBMX-IUCAKERBSA-N 360.600 2.179 50 40 FEGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1cc(C2CC2)nc2onc(C)c12 252488464 ISKIKNRYZDFNKM-FBCYGCLPSA-N 356.361 2.354 50 40 FEGB COCCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(C)cc2)CC(=O)N1 6477556 CDEINWIWTFPSCH-HNNXBMFYSA-N 373.478 2.220 50 40 FEGB Cc1ccc(C(=O)N[C@H](C(=O)NNc2nc(C)cc(C)n2)C(C)C)cc1 22234202 RMCTUUILBZWCCS-INIZCTEOSA-N 355.442 2.300 50 40 FEGB CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 58885004 KGAJRIKKXCZQOA-WOJGMQOQSA-N 356.338 2.082 50 40 FEGB CCCCC(=O)[C@@H]1C(=O)[C@@H](Cl)C(C)(C)[C@@](Cl)(C(=O)OC)C1=O 222073020 SMNDRXKKDMAWDI-OSQNNJELSA-N 351.226 2.298 50 40 FEGB C=CCOc1ccccc1CN1C(=O)/C(=N/NC(N)=O)c2ccccc21 101194487 FBOPENVLLIUYLN-HEHNFIMWSA-N 350.378 2.171 50 40 FEGB Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccs2)c(C)c1 2136063 IRCJMJRWIOUHFZ-UHFFFAOYSA-N 363.464 2.079 50 40 FEGB O=C(NN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1F 2239325 FXZGHWJOJACSQR-AWEZNQCLSA-N 361.760 2.046 50 40 FEGB COc1ccc(OC)c(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)c1 4735426 QHYMSZXMWJZWHT-UDWIEESQSA-N 358.394 2.414 50 40 FEGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)N1CCOCC1 13457909 LGEYVHDSZVOQPL-RVDMUPIBSA-N 352.346 2.411 50 40 FEGB COC(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/N(CCCl)CCCl 1724202 LMBVSKNWHPFDMH-JOZWUWCOSA-N 373.280 2.180 50 40 FEGB O=C1Nc2cc(N3CCCC3)ccc2/C1=N\NC(=O)c1ccc(O)cc1 43910757 NFCWTUJWAXROFI-UHFFFAOYSA-N 350.378 2.079 50 40 FEGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)NCCN1CCOCC1 26967751 LZPQGSXGSJRDDA-DTQAZKPQSA-N 369.396 2.441 50 40 FEGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CNC(=O)C(C)(C)C 12689313 XIBNKYZXINCTAK-UHFFFAOYSA-N 374.466 2.042 50 40 FEGB CC(C)(C)OC(=O)NCC(=O)NNC(=O)Cc1cccc2ccccc12 67142010 KKUVQLMMAYKAFB-UHFFFAOYSA-N 357.410 2.054 50 40 FEGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 38180417 SXPLQBQKDMNRHS-VCHYOVAHSA-N 356.338 2.413 50 40 FEGB O=C(Cn1cnc2ccccc21)NNC(=S)Nc1ccc(F)cc1F 16271821 XEFRFPUGNMQNHF-UHFFFAOYSA-N 361.377 2.332 50 40 FEGB CCOc1cc(C(=O)NN)cc(Br)c1OCc1cccnc1 226321282 HQUCTZDFEBUABM-UHFFFAOYSA-N 366.215 2.425 50 40 FEGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2C)c1O 3060061 BHFPNIFNJBYRGL-DJKKODMXSA-N 361.785 2.451 50 40 FEGB COc1c(O)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1[N+](=O)[O-] 8783200 NEBSORNIRIXCGU-CQSZACIVSA-N 357.322 2.124 50 40 FEGB CC(=O)Nc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C)cc1 674922 CLAVCUPMBYZWFL-UHFFFAOYSA-N 355.394 2.102 50 40 FEGB O=C(N/N=C/c1ccco1)c1cccc(C(=O)N/N=C/c2ccco2)c1 1458112 COYHFAKTWCPNII-AYKLPDECSA-N 350.334 2.400 50 40 FEGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)COc1ccccc1 57476927 ONURYLMUGQCMFS-UDWIEESQSA-N 350.378 2.415 50 40 FEGB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N/N=C/c1ccc2nccnc2c1 5669262 YHMBRYXEPXLPBK-LTNVFZTJSA-N 369.425 2.479 50 40 FEGB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C\c1ccco1 4866735 ULUZVABIKMNETA-UWVJOHFNSA-N 356.407 2.080 50 40 FEGB CC(=O)c1c(NNC(=O)COc2cccc3cccnc23)oc(C)cc1=O 27300531 NEGSNKDJKNLRTR-UHFFFAOYSA-N 367.361 2.221 50 40 FEGB CCC(=O)N1CCc2cc(C(=O)NNC(=O)c3cc(Cl)cn3C)ccc21 44915210 YYTWBFQBGSHWPM-UHFFFAOYSA-N 374.828 2.052 50 40 FEGB CN(C)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 15511136 PZQNSZZKMPNLLZ-UHFFFAOYSA-N 362.773 2.389 50 40 FEGB COc1ccc(/C=N/NC(=O)c2ccoc2C)cc1CN1CCOCC1 19827397 QKQMPTLMFYBJEL-UDWIEESQSA-N 357.410 2.193 50 40 FEGB N#Cc1ccc(OCC(=O)NNC(=O)/C=C/c2cccc(Cl)c2)cc1 3277431 ZYUJKJXWVLZCEI-RMKNXTFCSA-N 355.781 2.451 50 40 FEGB Cc1ccc2nc(NC(=O)C(=O)NNC(=O)c3ccccc3)sc2c1 1762693 ATJILGNZWXABQR-UHFFFAOYSA-N 354.391 2.004 50 40 FEGB CCOc1cc(/C=N\NC(=O)CNc2ccc3c(c2)OCO3)ccc1OC 408868556 AIRADVDHTGFMIQ-FBHDLOMBSA-N 371.393 2.385 50 40 FEGB O=C(NNC(=O)c1ccccc1I)c1cccs1 4309427 BPPDIVLKEAJLKC-UHFFFAOYSA-N 372.187 2.428 50 40 FEGB O=C(NN/C=C1/C(=O)N(c2ccccc2)C(=S)N=C1O)c1ccccc1 17180390 JOKVAGQRYBEMKM-SDNWHVSQSA-N 366.402 2.093 50 40 FEGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)Cc1cccs1 409200400 RWIYQSANMKABIN-CPNJWEJPSA-N 359.451 2.286 50 40 FEGB O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1 5569510 KCTBDJGDBDMUTL-UHFFFAOYSA-N 364.701 2.231 50 40 FEGB COc1ccc(/C=N\NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1OC 32119748 SWNUVHHALWQLCB-UAAGNOOKSA-N 355.394 2.031 50 40 FEGB CCCOC(=O)C1=C(C)O[C@@]23OC(N)=C(C#N)[C@@]12C(=O)c1ccccc13 2474572 XHPDNVGMLNDLMK-OALUTQOASA-N 352.346 2.004 50 40 FEGB Cc1cc(-n2c(C)cc(/C=C(\C#N)c3nc(N)nc(N(C)C)n3)c2C)no1 25889267 RBXPHHJEHBYRSW-RIYZIHGNSA-N 364.413 2.288 50 40 FEGB CCN1C(=O)/C(=N/NC(=O)c2ccncc2)c2cc(Br)ccc21 18143564 IXCCOHJRLINEQG-XMHGGMMESA-N 373.210 2.345 50 40 FEGB COc1cccc(OC)c1/C=N/NC(=O)C(=O)Nc1cc(C)cc(C)c1 6609963 BOAVTLVUVPGTND-RGVLZGJSSA-N 355.394 2.409 50 40 FEGB O=C(N/N=C\C(=N\NC(=O)c1cccnc1)c1ccccc1)c1cccnc1 100522228 JWWPGWUUJFCYNX-JFBVQIPESA-N 372.388 2.027 50 40 FEGB COC(=O)c1c(NC(=O)C(Cl)Cl)sc2c1[C@H](C(=O)OC)CC2 4038555 ZJMJTLFMPPKEKC-RXMQYKEDSA-N 366.222 2.480 50 40 FEGB CN(C)c1nc(N)nc(/C(C#N)=C\c2cc(Cl)c3c(c2)OCCCO3)n1 96931779 FDIOIEQNDTVCDM-WDZFZDKYSA-N 372.816 2.399 50 40 FEGB Cc1c(Cl)cccc1N1C(=O)C[C@@H](NNC(=O)c2cccs2)C1=O 101563376 SCEQOGHDVMFYRW-LLVKDONJSA-N 363.826 2.276 50 40 FEGB COc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1C 4838871 ODAFLYGUXPNMBK-UHFFFAOYSA-N 361.785 2.057 50 40 FEGB COc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)c1 6458070 KQQJLVFMLYFTEQ-UHFFFAOYSA-N 363.826 2.298 50 40 FEGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCC(=O)OC 59334655 WSIVWFYEBYDSMT-SDQBBNPISA-N 366.801 2.286 50 40 FEGB Cn1c(SCC(=O)N/N=C/c2ccccn2)nnc1-c1ccccc1 2315865 DSLAGBKRTYGCNJ-YBFXNURJSA-N 352.423 2.120 50 40 FEGB Cc1cc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)c2ccccc2n1 5269776 WEQPZMPOWMRCQP-UHFFFAOYSA-N 373.416 2.434 50 40 FEGB O=C1N[C@@H]2CS[C@@H](CCCCC(=O)Oc3ccc([N+](=O)[O-])cc3)[C@H]2N1 4521219 YUDNXDTXQPYKCA-IPYPFGDCSA-N 365.411 2.226 50 40 FEGB in-vitro O=C(NN1C(=O)[C@H](Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1O 1633503 WTESRMWBOCISMY-KGLIPLIRSA-N 361.741 2.136 50 40 FEGB COc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1O 1054353 BUKXYFBYJCXECB-GIJQJNRQSA-N 359.338 2.147 50 40 FEGB CCCc1noc(CCC(=O)NNC(=O)c2cc(C)c(CC)s2)n1 28419312 WNPZEVKNKZEWGD-UHFFFAOYSA-N 350.444 2.348 50 40 FEGB COC(=O)COc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)c1 408874002 YLLBTXNLRLMSKV-VXLYETTFSA-N 371.349 2.219 50 40 FEGB COc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(C)C)cc1OC 408998137 SZXJSMIONSTCDH-YBFXNURJSA-N 372.381 2.442 50 40 FEGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 6045209 BITZTSLABLGQFX-CPNJWEJPSA-N 354.366 2.195 50 40 FEGB CCCc1noc(CCC(=O)NNC(=O)c2cc3c(s2)CCCC3)n1 30578051 MEQNQOMYVUZIMC-UHFFFAOYSA-N 362.455 2.356 50 40 FEGB CC(C)N1C(=O)/C(=N/NC(=O)c2ccc3c(c2)OCO3)c2ccccc21 12401594 UWCFQYGYRWWGNG-LVZFUZTISA-N 351.362 2.304 50 40 FEGB CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccccc1 6828382 YHVFPSKSZWULNS-PGNNWUFWSA-N 367.405 2.320 50 40 FEGB O=C(NNS(=O)(=O)c1ccc(F)cc1F)c1cc2c(s1)CCC2 7379580 VHQIPYZIYGGTGN-UHFFFAOYSA-N 358.391 2.138 50 40 FEGB C#CCOc1ccc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC 409132518 JXVAXWUJRIDPKF-IBGZPJMESA-N 363.417 2.437 50 40 FEGB Cc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c1O 36206870 CIMXVXNSLJOVLK-CAOOACKPSA-N 374.309 2.046 50 40 FEGB C[C@@H](CC(=O)NNC(=O)c1ccncc1)CC(=O)Nc1ccc(F)cc1 199423106 IGANJBODASDWSI-GFCCVEGCSA-N 358.373 2.037 50 40 FEGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(OC)ccc2OC)cc1 3067937 IWFRUQKMJLAWAB-UDWIEESQSA-N 355.394 2.355 50 40 FEGB O=C(NNC(=S)Nc1ccccc1)NNC(=S)Nc1ccccc1 4115570 NVNPIWMHTIWZNW-UHFFFAOYSA-N 360.468 2.089 50 40 FEGB Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c(C)o1 7652505 KBIVYMIHGYRUPS-SNVBAGLBSA-N 359.407 2.404 50 40 FEGB O=C(O)COc1cccc(/C=N/NC(=O)COc2ccccc2Cl)c1 408909110 GANMJCMYQRECBX-DJKKODMXSA-N 362.769 2.333 50 40 FEGB COc1ccc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc1OC 83316188 SKGDUGGUKDDPKJ-NDENLUEZSA-N 358.394 2.414 50 40 FEGB Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 144668832 LQKXNBNNHSIMFQ-MRXNPFEDSA-N 351.406 2.118 50 40 FEGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2cccnc2)cc1OC 101904097 WVQPCSSBUNUNNJ-CIAFOILYSA-N 356.382 2.233 50 40 FEGB CC[C@H](NNC(=O)c1cn(C)c2ccccc12)C(=O)Nc1cc(C)on1 12553898 OWOWQISOVWMCEW-AWEZNQCLSA-N 355.398 2.126 50 40 FEGB O=C(N/N=C\c1ccc(I)o1)c1cccc(O)c1 409000060 MJGCBGLPLPVYHK-AUWJEWJLSA-N 356.119 2.354 50 40 FEGB CC(C)=NNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 409027156 AXTAWGACFFKPKX-UHFFFAOYSA-N 352.243 2.271 50 40 FEGB Cc1cc(C)n(CC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)n1 7653417 DVMPLGOVRIYDLG-UHFFFAOYSA-N 371.224 2.033 50 40 FEGB C[C@H]1C[C@H](NNC(=O)CCCc2nc(-c3cccs3)no2)CCO1 95468762 GLZWAITUKJJIQL-NWDGAFQWSA-N 350.444 2.309 50 40 FEGB N#C/C(=C\c1ccc(-c2ccccc2F)o1)C(=O)N[C@@H]1CCS(=O)(=O)C1 46086212 OBVVRGNKEMBGSF-CNELAYHGSA-N 374.393 2.296 50 40 FEGB COc1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1 250445287 OSEAXCUOZSYCBU-KJKVDNPUSA-N 366.211 2.205 50 40 FEGB CCOC(=O)C[C@@H](Br)[C@H](Br)CC(=O)OCC 1654091 CLNFOLRUQAFJLZ-HTQZYQBOSA-N 360.042 2.420 50 40 FEGB O=[P@@](OC[C@H](O)CO)(Oc1ccccc1)N(CCCl)CCCl 1717215 HBYCFRYSXHQVKA-IPQOISQHSA-N 372.185 2.323 50 40 FEGB CC(C)n1nc(C(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2c1=O 103911337 RJDMDPHZHPDELW-XEZPLFJOSA-N 368.437 2.175 50 40 FEGB COc1cc(OC)cc(C(=O)NNC(=O)CCC(=O)c2cccs2)c1 6454364 JEJLEMZTNZLIMG-UHFFFAOYSA-N 362.407 2.189 50 40 FEGB COc1ccc(CC(=O)N/N=C/c2ccc(OCC#N)cc2)cc1OC 408860499 WZABEWXGSCQAKV-FYJGNVAPSA-N 353.378 2.299 50 40 FEGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 409265030 MHMACNFCMLLKNF-UDWIEESQSA-N 371.393 2.278 50 40 FEGB CCc1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(F)cc3)CC2=O)c1 40058260 XWXAHPIBZKDUPB-HNNXBMFYSA-N 369.396 2.202 50 40 FEGB CCOc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCCOC)cc1 36646326 STKLDROGDNQZDI-QGZVFWFLSA-N 358.394 2.357 50 40 FEGB O=C(COc1ccccc1Cl)NC(=S)NNC(=O)c1cccs1 6528773 IMEITKJCJZTCHH-UHFFFAOYSA-N 369.855 2.116 50 40 FEGB O=C(Cc1ccc2c(c1)OCCO2)NNC(=O)C12CC3CC(CC(C3)C1)C2 7986544 UEIWERPBDXLRMD-UHFFFAOYSA-N 370.449 2.364 50 40 FEGB Cc1ccsc1C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 12878484 VURPHMLXTNPDHS-UHFFFAOYSA-N 370.434 2.422 50 40 FEGB CCOC(=O)COc1ccc(/C=N/NC(=O)CNC2CCCCC2)cc1 409377396 HFDQXKXLZZAKIG-CIAFOILYSA-N 361.442 2.001 50 40 FEGB NC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 3291345 RPOQQKJOLGFQIH-VXLYETTFSA-N 350.338 2.450 50 40 FEGB COc1ccc(CCNC(=O)C(=O)NN=C2CCCCCC2)cc1OC 59515829 VSWGBRFARURIMC-UHFFFAOYSA-N 361.442 2.189 50 40 FEGB COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc([N+](=O)[O-])c1O 409381860 WUDCQKFOBUBGQT-MLPAPPSSSA-N 356.338 2.405 50 40 FEGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N3CCCC3)c2C)c1 408971130 MUGWXMQKWIRFCE-FYJGNVAPSA-N 352.438 2.475 50 40 FEGB CCn1ncc(Br)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 253405398 SFQUCQNMWDFTMG-GFCCVEGCSA-N 363.215 2.480 50 40 FEGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cc([N+](=O)[O-])ccc1O 5615250 KOYDTHYQPPCTHF-CAOOACKPSA-N 371.378 2.419 50 40 FEGB O=C(COc1ccccc1)NNC(=O)COc1ccc2ccccc2c1 4713811 YJHYKPMRVRUDED-UHFFFAOYSA-N 350.374 2.445 50 40 FEGB O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1ccccc1Cl 10158846 SPPIOUQPEWMYGY-UHFFFAOYSA-N 356.769 2.306 50 40 FEGB CCCc1n[nH]c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)C(C#N)=C(N)O2 4150175 LCJZZQJABUFWIN-AWEZNQCLSA-N 369.337 2.217 50 40 FEGB CNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2)nc2ccccn2c1=O 4205353 JPLAGPDWGWWMRQ-SDNWHVSQSA-N 360.373 2.448 50 40 FEGB COc1ccc(OCC(=O)NNC(=O)Cc2c(F)cccc2Cl)cc1 28637835 QYMHNAHUKRJXTB-UHFFFAOYSA-N 366.776 2.257 50 40 FEGB Cc1cc(OCC(=O)NNC(=O)COc2ccccc2C#N)ccc1Cl 15977881 GFBAJCGZFNYQTJ-UHFFFAOYSA-N 373.796 2.125 50 40 FEGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 7783582 YKEDCEPOJYPQJL-RGVLZGJSSA-N 367.361 2.069 50 40 FEGB C[C@@H]1CCc2sc(C(=O)NNC(=S)NC[C@@H]3CCCO3)cc2C1 6337000 QENOPVAFJXPJCY-PWSUYJOCSA-N 353.513 2.161 50 40 FEGB COc1cccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c1OC 1020947 FDVSLUKMACOXGE-VCHYOVAHSA-N 359.338 2.141 50 40 FEGB CCCCC(=O)NN/C=C1\C(=O)N(c2ccccc2F)C(=S)N=C1O 2208761 VUOMKZZVAWFMFX-KTKRTIGZSA-N 364.402 2.109 50 40 FEGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1nc[nH]n1 6505599 XAXUZNHINOBPNE-NGYBGAFCSA-N 359.729 2.180 50 40 FEGB O=C(NN[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O)c1ccccc1Cl 100097031 BPTFBBMWDQSGOT-CQSZACIVSA-N 361.760 2.046 50 40 FEGB O=C(CCC(=O)N1CCOCC1)NN=C(c1ccccc1)c1ccccc1 10130710 UGUQQSOGYYKYHO-UHFFFAOYSA-N 365.433 2.194 50 40 FEGB NNC(=O)CCc1ccc(-c2ccc(I)cc2)o1 226344971 CEFNKASWPMPGMG-UHFFFAOYSA-N 356.163 2.474 50 40 FEGB NNC(=O)CCc1ccc(-c2cccc(I)c2)o1 226344977 PLBKFOCNCAXOJN-UHFFFAOYSA-N 356.163 2.474 50 40 FEGB O=C(CN1CCOCC1)N/N=C/c1cccc(OCc2ccccc2)c1 59246901 FCNUCKDTBJJFIU-KGENOOAVSA-N 353.422 2.048 50 40 FEGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2C)c1 2165548 DNARCCWYRXOAPM-RGVLZGJSSA-N 355.394 2.409 50 40 FEGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)n(C)c(=O)n3C)cc1 3242717 ZJBHOPLSPMOUGE-GXDHUFHOSA-N 362.389 2.431 50 40 FEGB CC1=C(C#N)[C@](NC(=O)c2ccc(OC(C)C)cc2)(C(F)(F)F)C(=O)N1 5219414 ODGQTFWSAHQLPX-MRXNPFEDSA-N 367.327 2.432 50 40 FEGB Cc1ccc(/C=C/C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(C)c1 9113773 FMXNEYCBHAFAGY-QZEKMECESA-N 352.390 2.304 50 40 FEGB COc1nc2c([nH]1)[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 5463441 ZUYPJSUKVVGBRK-AWEZNQCLSA-N 356.382 2.432 50 40 FEGB CC1=C(C(=O)OC(C)C)[C@@]23C(=O)c4ccccc4[C@@]2(O1)OC(N)=C3C#N 100581382 IARGRXDKCRNPFY-RBUKOAKNSA-N 352.346 2.002 50 40 FEGB O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)Nc1ccccc1 28295591 YEHIXUCIZHETMF-UHFFFAOYSA-N 367.453 2.052 50 40 FEGB Cc1cc(C)c(C(=O)OCC(=O)NNC(=O)c2ccccc2F)c(C)c1 5049810 LIMNXTIVVLFOCB-UHFFFAOYSA-N 358.369 2.369 50 40 FEGB COc1c(O)ccc(/C=N\NC(=O)COc2cc(C)ccc2C)c1[N+](=O)[O-] 4602537 MWPYAACVPSHCRX-OCKHKDLRSA-N 373.365 2.455 50 40 FEGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(F)cc3)CC2=O)cc1C 408614360 BGQRGDGBNTYROK-HNNXBMFYSA-N 369.396 2.257 50 40 FEGB CCNc1nc2c(O)nsc2c2c1[C@@H](c1cccnc1)C(C#N)=C(N)O2 19691707 FWFWRSLDNUXHBA-JTQLQIEISA-N 366.406 2.442 50 40 FEGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCC#N)c(OC)c2)c1 6685765 DVKQISXKMJPEPO-CIAFOILYSA-N 369.377 2.379 50 40 FEGB NNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)cc1 850951 RDLWCGBLIGBKLZ-GXDHUFHOSA-N 360.211 2.210 50 40 FEGB O=C(Cc1c(F)cccc1Cl)NNC(=O)c1n[nH]c2c1CCCC2 12531466 JCNWBIBXOMNKTA-UHFFFAOYSA-N 350.781 2.085 50 40 FEGB O=C(COc1ccc([N+](=O)[O-])cc1)NNC1=C(C(=O)C(F)(F)F)CCC1 408563959 SUBKRDGXAHUONY-UHFFFAOYSA-N 373.287 2.164 50 40 FEGB COC(=O)c1ccc(/C=N/NC(=O)c2cncc(Br)c2)cc1 868822 NFHSFVPTCKJLGS-CNHKJKLMSA-N 362.183 2.395 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2C)cc1OC 3166462 XFLNKMHIIRTTJO-RGVLZGJSSA-N 355.394 2.409 50 40 FEGB CC(C)COc1cccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 12979933 NCIZRFKBZWUTPC-SFHVURJKSA-N 370.405 2.322 50 40 FEGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(F)c3F)[C@@H]2C1 4457712 KFILAUHUPFLQBZ-GDBMZVCRSA-N 351.360 2.320 50 40 FEGB CCN1CCN(C(=O)[C@@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)CC1 20290489 DHRDDRIHTXQAJH-AFAVFJNCSA-N 371.319 2.309 50 40 FEGB Cc1ccc2c(CC(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)coc2c1C 24973992 UHTBVQBQCYQCFR-OAHLLOKOSA-N 364.467 2.084 50 40 FEGB CNC(=O)NNC(=O)COc1cc2sc(C)nc2c2sccc12 56376170 JLTLCHZGUDMFMD-UHFFFAOYSA-N 350.425 2.158 50 40 FEGB CC[C@@H](NNC(=O)c1cn(C)c2ccccc12)C(=O)Nc1cc(C)on1 12553896 OWOWQISOVWMCEW-CQSZACIVSA-N 355.398 2.126 50 40 FEGB CCOC(=O)COc1ccc(/C=N/NC(=O)COc2ccccc2)cc1 408528175 TULQCXJVSNMUAV-UDWIEESQSA-N 356.378 2.158 50 40 FEGB O=C(NNS(=O)(=O)c1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 16154304 QTJMLUZQIYYQJQ-UHFFFAOYSA-N 352.431 2.352 50 40 FEGB C#CCOc1cccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)c1 8160263 MAUDANMQZDVNHM-XDHOZWIPSA-N 353.334 2.379 50 40 FEGB Cc1ccc(S(=O)(=O)NNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4171549 CZRCAJXMINZMJN-UHFFFAOYSA-N 363.483 2.456 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c([N+](=O)[O-])cc1OC 408966154 KDEZUXQDGYXWGU-AWQFTUOYSA-N 372.312 2.387 50 40 FEGB Cc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3oc2=O)cc1C 14244749 JMVKIWOTCNNTPU-UHFFFAOYSA-N 366.373 2.250 50 40 FEGB Cc1cc(C)nc(NNC(=O)Cc2csc(NC(=O)c3ccco3)n2)n1 14512850 JEJDFLJTMICPGK-UHFFFAOYSA-N 372.410 2.081 50 40 FEGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)O)c2)cc1OC 409314207 FIEARAICACFJTE-JAIQZWGSSA-N 372.377 2.321 50 40 FEGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cccc(Cl)c2)cc1 223157145 BWHQRUGSNNKMBA-GRSHGNNSSA-N 359.769 2.215 50 40 FEGB CCc1cc2c(=O)n(CC(=O)N/N=C\c3ccc(F)cc3)cnc2s1 101088166 RBPPIGWSPRCQQI-ZBKNUEDVSA-N 358.398 2.310 50 40 FEGB CCc1ccc(OCC(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 6543676 BPEHTGFQPFKIST-UHFFFAOYSA-N 368.349 2.009 50 40 FEGB CCCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccncc2)c1 6592695 HFMRUGHUGFBCTE-UHFFFAOYSA-N 372.450 2.210 50 40 FEGB Cc1ccc(NC(=O)CSCC(=O)NNC(=O)c2ccoc2C)cc1 12942668 MASKTKKXJJFDFA-UHFFFAOYSA-N 361.423 2.029 50 40 FEGB O=C(NNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccc(Cl)cc1Cl 409376047 SRVYEBGGYQYKEB-GYBADROVSA-N 369.204 2.277 50 40 FEGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc2c(c([N+](=O)[O-])c1)OCCO2 85408738 GHLMFHBVNZKXNY-INIZCTEOSA-N 367.317 2.290 50 40 FEGB CC1=NNC(=O)[C@H]1CC(=O)N/N=C\c1ccc(OCc2ccccc2)cc1 100151556 RUUAZZPYAWIVFZ-UMUMUWHJSA-N 364.405 2.228 50 40 FEGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 2307851 NMFMGPZVHQFOCH-LBPRGKRZSA-N 361.379 2.230 50 40 FEGB COc1ccc2c(CC(=O)NNC(=O)COc3cccc(F)c3)coc2c1 3553200 KRJSINORHSOWRJ-UHFFFAOYSA-N 372.352 2.349 50 40 FEGB C/C(=N\NC(=O)c1cccnc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 19720125 LTFUNHBWFCORTE-VXLYETTFSA-N 352.306 2.250 50 40 FEGB Cc1cc(CC(=O)NNC(=O)COc2ccccc2-c2ccccc2)no1 72284125 LPDVPAUFOVEWHM-UHFFFAOYSA-N 365.389 2.419 50 40 FEGB N#CC1=CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 95468708 NKCFJWDKCCMPRE-UHFFFAOYSA-N 372.200 2.202 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC 6180649 IDVCSVKRVCDYHH-QGMBQPNBSA-N 373.321 2.105 50 40 FEGB Nc1nc(N)c(/N=C/c2ccc(N(CCCl)CCCl)cc2)c(N)n1 4822301 JXDDRZNRWSKWTN-ZVBGSRNCSA-N 368.272 2.258 50 40 FEGB N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4953766 OVIZNSKDSUQBNG-UKTHLTGXSA-N 366.333 2.005 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1[N+](=O)[O-] 58884939 OKMJINXAPCMCEA-VCHYOVAHSA-N 356.338 2.001 50 40 FEGB CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1cc(OC)ccc1OC 57509011 UMICSKCARZATFA-CQSZACIVSA-N 354.790 2.114 50 40 FEGB CCCCC(=O)NN/C=C1/C(=O)N(c2ccc(F)cc2)C(=S)N=C1O 6782947 AHUWCLCAPUWNOD-FMIVXFBMSA-N 364.402 2.109 50 40 FEGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(OC)c2c1OCO2 15085616 BCOHJWMUMDSVSI-AWEZNQCLSA-N 370.361 2.247 50 40 FEGB C/C(=N\NC(=O)Cc1c(O)n[nH]c1C)c1cccc(Br)c1 946827 VFKHYINDZQIJQL-LZYBPNLTSA-N 351.204 2.269 50 40 FEGB COC(=O)Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2ccccc21 409198382 FGFZVXHGXGASBB-SCZPIIQISA-N 367.405 2.016 50 40 FEGB C#CCOc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCC)cc1OC 4501850 HDJSOLYJNPWJEJ-GOSISDBHSA-N 368.389 2.352 50 40 FEGB COc1ccc(-c2c(-c3ccc(OCC(=O)NN)cc3O)n[nH]c2C)cc1 18068762 NQWSMBUJWXQVBD-UHFFFAOYSA-N 368.393 2.135 50 40 FEGB O=C(NNC(=S)NC(=O)c1ccccc1F)c1ccc(Cl)cc1 6528600 FAFPGSBOEHJSMV-UHFFFAOYSA-N 351.790 2.428 50 40 FEGB COC(=O)COc1cccc(/C=N/NC(=O)CSc2ccccc2)c1 408862724 HQGLGNXKJNKFTE-YBFXNURJSA-N 358.419 2.481 50 40 FEGB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCC(=O)N/N=C/c1ccccc1O)C2=O 5727850 SZYPWHVIDUGLEX-SBFWPLKMSA-N 371.437 2.044 50 40 FEGB NNC(=O)CC(=O)N(C(=O)/C=C/c1ccccc1)c1ccc(Cl)cc1 1639402 OSCSFXQTNKKJOP-IZZDOVSWSA-N 357.797 2.293 50 40 FEGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1 7881816 QIBBBXMWWHHHGH-AWEZNQCLSA-N 371.824 2.463 50 40 FEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)CNc1ccccc1C 1054314 LPDVTHFUXSOQAS-KEBDBYFISA-N 372.381 2.483 50 40 FEGB COC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc(Br)cc1 57509152 PAZVSJCUASSUBN-LLVKDONJSA-N 359.607 2.469 50 40 FEGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC 408968055 TZJGOKOOHDZOOK-WSDLNYQXSA-N 351.337 2.482 50 40 FEGB COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C 408970351 GPZUTXKNXXAKKE-LPYMAVHISA-N 370.453 2.005 50 40 FEGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc1 409381687 IPWKGYGPYDCLKI-YBEGLDIGSA-N 353.378 2.334 50 40 FEGB COc1ccc(C(=O)NNC(=O)NCC2(c3ccccc3)CC2)cc1OC 32795433 QNXGVWIIAPJTKY-UHFFFAOYSA-N 369.421 2.380 50 40 FEGB CC(C)c1ccc(OCC(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1 5413774 WXDFVVZDHCGEJM-JKSUJKDBSA-N 362.426 2.227 50 40 FEGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1cnccn1 100768483 UTBYEVUJQFUAMJ-YDZHTSKRSA-N 351.410 2.490 50 40 FEGB COc1ccc(C(=O)[C@H](Br)[C@@H](Br)C(=O)O)cc1 1673795 ZLMNCWVKKNTEIG-RKDXNWHRSA-N 366.005 2.490 50 40 FEGB in-vitro O=C(NNC(=O)c1cccnc1Nc1cccc(F)c1)c1ccccn1 44819876 HRWNXZAZYBNQEY-UHFFFAOYSA-N 351.341 2.434 50 40 FEGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1noc2ccccc12 8029998 ABVZIUJFFZIUMD-LLVKDONJSA-N 357.341 2.124 50 40 FEGB COc1ccc([C@H](C)NC(=O)C(=O)N/N=C/c2ccccc2OC)cc1 408721368 QEMNFWVAGZYYPI-DZUMZMOTSA-N 355.394 2.031 50 40 FEGB Cc1cccc(-n2c(C)cc(/C=N\NC(=O)CN3CCOCC3)c2C)c1C 408996555 PZRPNNCQHOBBGE-XKZIYDEJSA-N 368.481 2.493 50 40 FEGB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1cccnc1 2270162 RIABCKZFFZHIHH-MFKUBSTISA-N 372.428 2.480 50 40 FEGB Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)/C=C/c2ccco2)c1 1794819 QYABTFPXWYRYSS-BQYQJAHWSA-N 355.394 2.476 50 40 FEGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccc(Cl)cc12 2056374 LIGYBOUOTIPVMV-GOSISDBHSA-N 371.780 2.257 50 40 FEGB Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)C(N)=O)c(C)n1-c1ccccc1F 89580020 VLASLBJZRJGSDF-DGGAMASNSA-N 354.385 2.130 50 40 FEGB CCOc1ccc(C(=O)NN[C@@H](C(=O)OC)c2ccccc2)cc1OC 14227039 HZIYQKVINCEXLV-QGZVFWFLSA-N 358.394 2.243 50 40 FEGB Cn1c(SCC(=O)N/N=C2/C(=O)Nc3ccccc32)nc2ccccc21 100609026 NMKVFYGJKLGBGL-UHFFFAOYSA-N 365.418 2.138 50 40 FEGB CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)c(OC)c2)cc1 408721200 MGCQXSFWVWRDEN-UDWIEESQSA-N 371.393 2.191 50 40 FEGB CCn1cc(Br)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)n1 253400761 LSINMLMGQFTONB-LBPRGKRZSA-N 363.215 2.480 50 40 FEGB C[C@@H](Oc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)O 12406533 ALJUMNKGLDOMDC-VDCVXVNISA-N 357.322 2.211 50 40 FEGB O=C(COC(=O)/C=C/c1cccs1)NNC(=O)c1ccc(Cl)cc1 2624470 PIOAJQODZXJREB-BQYQJAHWSA-N 364.810 2.419 50 40 FEGB Cc1cc(/C=N/NC(=O)C(=O)N2CCCC2)c(C)n1-c1ccc(F)cc1 408969781 UKPDHNCEEXMYJD-CIAFOILYSA-N 356.401 2.306 50 40 FEGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OCC(=O)Nc1ccc(C)cc1 409008110 UBCXONSIDNWJHS-OQLLNIDSSA-N 365.389 2.413 50 40 FEGB O=C(N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21)c1cccnc1 36228785 ZNKQISUZYXTHSD-PYCFMQQDSA-N 363.421 2.006 50 40 FEGB NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(-n3cccc3)cc2)cc1 210970529 CAEDKHFTVFPIET-XKZIYDEJSA-N 362.389 2.105 50 40 FEGB Cc1cc(C)nc(NNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)n1 12553842 VQQFELLEWWGAJN-LBPRGKRZSA-N 359.817 2.243 50 40 FEGB COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1O 13847761 KDOSLTPEJKLHMW-GIJQJNRQSA-N 359.338 2.147 50 40 FEGB O=C(N/N=C\c1cc(Br)c(N2CCOCC2)o1)c1ccco1 408809479 GXMQSHCXGGARSV-SXGWCWSVSA-N 368.187 2.236 50 40 FEGB Cc1c(/C=C(/C#N)C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)cc(C#N)n1C 585084055 ODOITPAPPDXQBM-YIYILZDSSA-N 368.437 2.350 50 40 FEGB CC(C)(C)OC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 40009533 IHGNICMWVXPJDO-SNVBAGLBSA-N 353.806 2.249 50 40 FEGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccncc2)c(OC)c1 100522950 NSWCAOGCYKONOK-CIAFOILYSA-N 356.382 2.233 50 40 FEGB CCC[C@H](CCC(=O)NNC(=O)c1ccccc1Br)C(=O)O 2356288 DKQYHFJKPVIUBC-SNVBAGLBSA-N 371.231 2.491 50 40 FEGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(OC)cc1 409263802 MRPXARKVKCEPHP-XDHOZWIPSA-N 353.334 2.379 50 40 FEGB Cc1cccc(N(CC(=O)N/N=C/c2ccccc2)S(C)(=O)=O)c1C 408906147 AQLLDEJPEJKPRV-XDHOZWIPSA-N 359.451 2.220 50 40 FEGB C/C(=N/NC(=O)c1cccnc1)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 25763140 JBNKCGYAXBBIIV-ODLFYWEKSA-N 365.353 2.033 50 40 FEGB CCOc1cc2c(cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1)OCO2 409098146 PRDMDOADKZWIJT-NVMNQCDNSA-N 357.322 2.486 50 40 FEGB COc1cc(/C=N\NC(=O)CC#N)ccc1OCc1ccc(C(=O)O)cc1 33352699 ZBVANGRFULBBAI-NHDPSOOVSA-N 367.361 2.336 50 40 FEGB CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1O 169878666 CHPVZFGFZREAOA-VCHYOVAHSA-N 359.338 2.472 50 40 FEGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2c(C)ccc(C)c2[nH]c1=O 876521 SACGCDSGJNMDJR-INIZCTEOSA-N 365.389 2.400 50 40 FEGB COc1ccc(/C=N/NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 3186627 KQMNZWQENYLPSX-DNTJNYDQSA-N 353.300 2.026 50 40 FEGB O=C(NCc1ccccc1)C(=O)N/N=C/c1cccc(Br)c1 13922857 VLVMCQRXZBIUPV-YBFXNURJSA-N 360.211 2.216 50 40 FEGB CCOc1ccccc1C(=O)NNC(=O)c1cc2ccccc2oc1=O 2807109 QJNKZVPZJPQDAC-UHFFFAOYSA-N 352.346 2.267 50 40 FEGB Cc1cc(C)nc(NNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)n1 32795910 XJMXSFZAFSFSEC-INIZCTEOSA-N 365.437 2.078 50 40 FEGB CC(C)OC(=O)[C@@H]1/C(=N/NC(=O)CC#N)C[C@@](C)(O)C[C@@H]1c1ccccc1 106783236 NDLPWJOXTYXKLK-FJHKZPPCSA-N 371.437 2.269 50 40 FEGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC(C)C)c2C)cc1 58903868 GSFDYOXKKVQHIZ-RGVLZGJSSA-N 356.426 2.077 50 40 FEGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2cc(C)cc(C)c2)c1 59101713 REOYNTMHOCFKOX-RGVLZGJSSA-N 355.394 2.409 50 40 FEGB COC(=O)/C(C#N)=C/c1c(N2CCC(C)CC2)nc2c(C)cccn2c1=O 2197993 SCJAXUAYYQLRLV-RVDMUPIBSA-N 366.421 2.319 50 40 FEGB CNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@H]3c1cccs1 15082943 RULGPBRLOVQMFX-QMMMGPOBSA-N 357.420 2.306 50 40 FEGB Cc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 409109840 MMOUGMGVGBKWEP-YBFXNURJSA-N 363.414 2.050 50 40 FEGB CC(C)NC(=O)/C(C#N)=C/c1ccc(OCC(=O)NCc2ccco2)cc1 408800835 PSHIYGFWQSIFGD-MHWRWJLKSA-N 367.405 2.406 50 40 FEGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OC 408752113 BUKDAQOAKWARSS-RUDMXATFSA-N 372.162 2.091 50 40 FEGB O=C(COc1cccc(F)c1)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2629107 OGRHYRFAIFOGEF-UHFFFAOYSA-N 367.720 2.227 50 40 FEGB CC(C)n1nc(C(=O)NNC(=O)CC2CCCC2)c2ccccc2c1=O 12998309 XTJLEIILXVXCSW-UHFFFAOYSA-N 356.426 2.319 50 40 FEGB COc1c(O)cc(/C=N/NC(=O)c2ccncc2)cc1Br 6180397 VVHBMVBOXRPBLU-CAOOACKPSA-N 350.172 2.322 50 40 FEGB COc1ccc(CC(=O)N/N=C/c2cc(OC)cc([N+](=O)[O-])c2O)cc1 8117049 GJMFXZWLVDTYAQ-VCHYOVAHSA-N 359.338 2.010 50 40 FEGB N#Cc1ccc(S(=O)(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 16154336 PTNDDPWABDOKJS-UHFFFAOYSA-N 359.451 2.084 50 40 FEGB C/C(=N\NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)c1ccnn1C 17072883 INZXZKNLXKWRSJ-UFFVCSGVSA-N 351.414 2.042 50 40 FEGB O=C(CN1CCN(Cc2ccccc2)CC1)NN=Cc1cccc(F)c1 19849384 QHOIGGLNMLBWMG-UHFFFAOYSA-N 354.429 2.094 50 40 FEGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(C)ccc2[nH]c1=O 876472 CFIUIKAHNUBOCB-INIZCTEOSA-N 351.362 2.091 50 40 FEGB COc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1Br 9366410 UYQJDINPYGQVNN-UHFFFAOYSA-N 365.183 2.238 50 40 FEGB COc1ccccc1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408687773 VCFRAGAAYUDPOG-CQSLXQFASA-N 366.211 2.205 50 40 FEGB COc1ccc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc1OC 408974406 ZJRWGIVCUXKWFS-QPSGOUHRSA-N 371.422 2.363 50 40 FEGB Cn1c(CC(=O)NNC(=S)Nc2ccc(Cl)cc2)nc2cccnc21 1099627 GNZWRSKRIITNCJ-UHFFFAOYSA-N 374.857 2.182 50 40 FEGB CC1(C)OC(=O)C(=C2[C@@H]3[C@@H]4[C@@H](Br)[C@H]5[C@H]6C[C@H]([C@@H]25)[C@@H]3[C@H]64)C(=O)O1 101052469 RJGIOBOOMIYNRD-WKKHTWCWSA-N 365.223 2.270 50 40 FEGB COc1ccc(CC(=O)NNC(=O)c2ccccc2Br)cc1 670943 CRTPETYDWIHOIT-UHFFFAOYSA-N 363.211 2.461 50 40 FEGB CCCOC[C@H](O)C[C@H](CC)C(=O)NNC(=S)Nc1ccccc1 13496498 LTTUBZGAAXCKRI-DZGCQCFKSA-N 353.488 2.208 50 40 FEGB Cc1c(Cl)cccc1N(CC(=O)NN=C1CCCC1)S(C)(=O)=O 408773770 XFWKFOUBOHEJHB-UHFFFAOYSA-N 357.863 2.461 50 40 FEGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(C)(=O)=O)cc1 19954474 CTLPNTLPDDHDSM-YBFXNURJSA-N 363.414 2.050 50 40 FEGB O=C(NNC(=O)c1ccccc1C(=O)O)c1ccc(Br)cc1 704917 MOKKATGIECHNHS-UHFFFAOYSA-N 363.167 2.222 50 40 FEGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)CN1CCCc2ccccc21 8029584 HSOPVWKNFGBTQL-UHFFFAOYSA-N 362.433 2.311 50 40 FEGB O=C(NCc1ccccn1)C(=O)N/N=C/c1cccc(Cl)c1Cl 59444325 BWCUKUHEXXOPDD-DNTJNYDQSA-N 351.193 2.155 50 40 FEGB CCOC(=O)Cc1[nH]nc2c1[C@@H](c1ccc(F)c(F)c1)C(C#N)=C(N)O2 663129 RDVLZNKOXIFNSP-AWEZNQCLSA-N 360.320 2.012 50 40 FEGB CC1(C)OC(=O)C(=C2[C@@H]3[C@H]4[C@H]5[C@H]6C[C@@H]([C@@H]25)[C@H]3[C@@H]6[C@@H]4Br)C(=O)O1 102939236 XTUXTICCGOUWQU-ICUPVPTISA-N 365.223 2.270 50 40 FEGB O=C(NN=C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 1403806 CMWLNLJTZSEMSE-UHFFFAOYSA-N 357.435 2.257 50 40 FEGB O=C(NCc1ccccc1N1CCOCC1)NNC(=O)Nc1ccccc1 62561979 ZOKJNZHWGQXYFP-UHFFFAOYSA-N 369.425 2.059 50 40 FEGB Cc1ccc(S(=O)(=O)NNC(=O)C(C(F)(F)F)C(F)(F)F)cc1 2287001 NEAQOKLTEHLXLH-UHFFFAOYSA-N 364.267 2.045 50 40 FEGB biogenic O=C(N/N=C\c1ccc(O)cc1O)C(O)(c1ccccc1)c1ccccc1 15223723 CUWYSMUJCLQTJA-HMAPJEAMSA-N 362.385 2.484 50 40 FEGB Cc1cccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)c1C 101310783 POSXTOUPICSARA-YXEAAEFPSA-N 372.899 2.144 50 40 FEGB Cc1onc(-c2ccccc2)c1C(=O)NC(=S)NNC(=O)c1ccco1 2245917 BZXXJAZRMHYIPR-UHFFFAOYSA-N 370.390 2.192 50 40 FEGB COCCn1c(C)cc2c(c1=O)[C@H](c1ccccc1F)C(C#N)=C(N)O2 2364274 IIGVZLSLUPATRA-MRXNPFEDSA-N 355.369 2.160 50 40 FEGB O=C(NN[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O)c1ccccc1Cl 2339073 BPTFBBMWDQSGOT-AWEZNQCLSA-N 361.760 2.046 50 40 FEGB CC(C)(C)OC(=O)NNC(=O)c1ccc(I)cc1 12909825 AMZWFUVSAOVWHO-UHFFFAOYSA-N 362.167 2.461 50 40 FEGB COc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(OC)c1OC 408966370 LFTPROWINNWXKS-UFFVCSGVSA-N 357.341 2.487 50 40 FEGB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccccc2)CC1 409008472 WSLXVUWEIXMQRY-XSFVSMFZSA-N 367.409 2.111 50 40 FEGB C/C(=N\NC(=O)c1cncc(Br)c1)c1cc(O)ccc1O 16102312 CNXJJKIKRGDEQQ-CAOOACKPSA-N 350.172 2.409 50 40 FEGB COc1ccc(C(=O)N/N=C(\C)CC(=O)NCc2ccco2)c(OC)c1 101534419 VETARIGXTXEHDN-UDWIEESQSA-N 359.382 2.109 50 40 FEGB CN(C)C(=O)[C@@H]1CC[C@](C)(C(=O)O)[C@@]1(C)CI 4228075 QVZLRUVLDDIRGR-AXTRIDKLSA-N 353.200 2.017 50 40 FEGB O=C(N/N=C/C=C/c1ccc2c(c1)OCO2)[C@@H]1COc2ccccc2O1 4694113 HFDXFUZRSIKREF-KNTUXTLVSA-N 352.346 2.371 50 40 FEGB NC(=O)N/N=C1\C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21 46084882 GUSMGPOMUCXGNM-HKWRFOASSA-N 358.785 2.138 50 40 FEGB COc1ccc(C(=O)N/N=C/c2ccc[nH]2)cc1I 953769 NWDCUDZXJQMVIW-LZYBPNLTSA-N 369.162 2.392 50 40 FEGB Cc1cccn2c(=O)c(/C=C(\C#N)C(N)=O)c(Oc3ccccc3F)nc12 2398260 BQVSYMTUMQGWNC-FMIVXFBMSA-N 364.336 2.327 50 40 FEGB NNC(=O)COc1c(Cl)cc(Br)cc1Br 226241341 PKRCZJNZGKMXTH-UHFFFAOYSA-N 358.417 2.234 50 40 FEGB Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1633077 DDCJOPUYZCIDQZ-KGLIPLIRSA-N 360.757 2.013 50 40 FEGB COc1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(Cl)c2C)c1 4838873 QFAUXPXAMCQOTA-UHFFFAOYSA-N 361.785 2.057 50 40 FEGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC(C)C)c2C)cc1 7918437 JTVYENZJBYTHDR-CIAFOILYSA-N 370.453 2.468 50 40 FEGB CCn1c(C)cc(C(=O)NNC(=O)CN2CCCc3ccccc32)c1C 89300319 JFVCZEJZEHPDHZ-UHFFFAOYSA-N 354.454 2.339 50 40 FEGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cc(C)cc(C)c2)c1OC 13922069 LIVCMZFAGQAGOM-RGVLZGJSSA-N 355.394 2.409 50 40 FEGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccnc4)c32)cc1 720792 SVWXYVBFFHODKW-HNNXBMFYSA-N 373.372 2.476 50 40 FEGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)c1ccc(F)cc1 2281943 MNEORMFFWSNAMB-LSHDLFTRSA-N 352.369 2.496 50 40 FEGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)COc1cccc(F)c1 2663498 CHDRBNMAJIGQCV-LLVKDONJSA-N 366.776 2.473 50 40 FEGB N#Cc1ccc(OCC(=O)NNC(=O)c2ccccc2Br)cc1 3612441 BTXNMVQVVZCXLX-UHFFFAOYSA-N 374.194 2.161 50 40 FEGB CC[N+](CC)=C1S[C@H]2CS(=O)(=O)[C@@H](Br)[C@]2(C)S1 4954848 FRMKYBPDTMRMMI-QXFUBDJGSA-N 359.356 2.151 50 40 FEGB Cc1occc1C(=O)NNC(=O)NC[C@H](O)c1ccccc1C(F)(F)F 89540655 PMBLRFOFHKAIMM-ZDUSSCGKSA-N 371.315 2.284 50 40 FEGB COc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])c(OC)cc2OC)cc1 83260171 WDRMIJIGFCMFGT-ZDLGFXPLSA-N 359.338 2.385 50 40 FEGB COc1ccc(C(=O)NNC(=O)c2ccco2)cc1OCc1ccncc1 32063776 VDDDACGGYSGUNL-UHFFFAOYSA-N 367.361 2.337 50 40 FEGB O=C(NCc1ccncc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl 4798188 OWFKDQLCVCJJJL-AWQFTUOYSA-N 351.193 2.155 50 40 FEGB CC[C@H](Br)C(=O)NCCC(=O)Nc1ccc(C(=O)OC)cc1 8733209 UONOZRUUOUTQLP-LBPRGKRZSA-N 371.231 2.092 50 40 FEGB COC(=O)COc1ccc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1 58882623 UNONNCJIKDRINX-JAIQZWGSSA-N 372.377 2.020 50 40 FEGB COc1cc(COc2ccc(/C=C/C(=O)NNC(N)=S)cc2)ccc1C 62715733 IESWTSZYAPMTKB-JXMROGBWSA-N 371.462 2.460 50 40 FEGB Cc1ccc(C(=O)NNC(=O)[C@@H](NC(=O)C2CCCCC2)C(C)C)cc1 14046626 TWHSIIOCXGQRQL-KRWDZBQOSA-N 359.470 2.477 50 40 FEGB O=C(N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccncc1 4502880 MXRLGUCOEUIYFF-HYARGMPZSA-N 366.421 2.237 50 40 FEGB Cc1cccn2cc(COc3ccc(C(=O)NNC(=O)C4CC4)cc3)nc12 29509397 NOHPXLPZZCAURU-UHFFFAOYSA-N 364.405 2.393 50 40 FEGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)c(F)c3)[C@H]2C1 680225 DWMQLBXWVGXDIB-WMLDXEAASA-N 351.360 2.320 50 40 FEGB Cc1ccc(C)c(OCCC(=O)OCC(=O)NNC(=O)c2ccccc2)c1 6034051 ZBBQIMGFBXFKJD-UHFFFAOYSA-N 370.405 2.077 50 40 FEGB CCOC(=O)COc1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1 409359408 OFUHZAQDRUKFPJ-SSDVNMTOSA-N 373.384 2.330 50 40 FEGB O=C(C[C@@](O)(c1ccccc1)C(F)(F)F)NNC(=O)c1ccccc1 14241795 QONFRXHBRIBQFQ-MRXNPFEDSA-N 352.312 2.288 50 40 FEGB COCCn1c(C)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1C 35169026 KVHILDKPHWBKCH-UNOMPAQXSA-N 358.398 2.352 50 40 FEGB O=C(NN[C@H]1c2ccccc2C(=O)N1C[C@@H]1CCCO1)c1ccccc1 199418209 POYLWCZYLFNVHD-MAUKXSAKSA-N 351.406 2.255 50 40 FEGB CN(C)c1ccc([C@@H]2C(C#N)=C(N)O[C@H]3NN=C(C(F)(F)F)[C@H]32)cc1 254392335 HRYCYMTWOQECOC-LALPHHSUSA-N 351.332 2.024 50 40 FEGB COc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc([N+](=O)[O-])c1O 6348121 CCNCROQIKOYCKR-OVCLIPMQSA-N 371.440 2.345 50 40 FEGB COc1cc(C(=O)NN)cc(Br)c1OCc1cccnc1 226321261 NEGNRJLMJUICPU-UHFFFAOYSA-N 352.188 2.035 50 40 FEGB C/C(=N\NC(=O)CNC(=O)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 15133698 XUOYBSHNXJNZIL-RGVLZGJSSA-N 358.329 2.004 50 40 FEGB CC(C)c1ccc(OCC(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1 5413767 WXDFVVZDHCGEJM-HZPDHXFCSA-N 362.426 2.227 50 40 FEGB Cc1ccccc1/C=N/NC(=O)CN1CCN(Cc2ccccc2)CC1 19826213 JYEYXCGQXCYDAQ-PXLXIMEGSA-N 350.466 2.263 50 40 FEGB O=C(N/N=C/c1cccc(Br)c1)C(=O)NC1CCCCC1 59386576 NGCDVFACJFANFI-LICLKQGHSA-N 352.232 2.348 50 40 FEGB O=C(NNC(=O)N1CCC([C@H](O)c2ccccc2)CC1)c1ccccc1 69419658 ZZGWGWHXIPMVTN-GOSISDBHSA-N 353.422 2.487 50 40 FEGB Cc1n[nH]c2c1[C@@]1(C(=O)N(CCC(C)C)c3ccccc31)C(C#N)=C(N)O2 6772918 PADLGOYSFGFVFX-FQEVSTJZSA-N 363.421 2.483 50 40 FEGB O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@@H]1CCc2cn[nH]c2C1 72302663 WEPNCABGTURAIL-SNVBAGLBSA-N 364.858 2.108 50 40 FEGB NNC(=O)CC(=O)N(C(=O)/C=C\c1ccccc1)c1ccc(Cl)cc1 17249438 OSCSFXQTNKKJOP-WDZFZDKYSA-N 357.797 2.293 50 40 FEGB COc1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c(OC)c1 711105 NCKNCCAKOKHRGD-VCHYOVAHSA-N 359.338 2.141 50 40 FEGB CC(C)c1cc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cs1 4652061 SISFLLOZVHOGGF-QOBDMFJFSA-N 350.440 2.379 50 40 FEGB CCOC(=O)Cc1[nH]nc2c1[C@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 8569134 IHVXPFJWWAKLPT-INIZCTEOSA-N 363.377 2.215 50 40 FEGB COc1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1OC 711103 AQYASWOVXVVZLA-VCHYOVAHSA-N 359.338 2.141 50 40 FEGB C[C@H]1C[C@@H]1C(=O)NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 12822458 OUTANPYBFFNBNR-IUCAKERBSA-N 368.315 2.014 50 40 FEGB Cc1ccc(-n2ncc3c(NNC(=O)[C@@H](O)c4ccccc4)ncnc32)cc1 6660999 QXTYAWCVRFVJHK-KRWDZBQOSA-N 374.404 2.301 50 40 FEGB Cc1noc(C)c1COc1ccc(C(=O)NNC(=O)c2ccccn2)cc1 9740046 KNAFSQDTTHLHLU-UHFFFAOYSA-N 366.377 2.340 50 40 FEGB CCc1ccc2[nH]c(=O)c([C@H]3C(C#N)=C(N)OC(C)=C3C(=O)OC)cc2c1 876484 DEUOZJYGLLYSTE-KRWDZBQOSA-N 365.389 2.345 50 40 FEGB N#CC1=C(SCC(=O)NC[C@H]2CCCO2)NC(=O)C[C@@H]1c1ccccc1 6496143 JCZDMVWTTVDGAE-HUUCEWRRSA-N 371.462 2.054 50 40 FEGB COc1ccc(C(=O)NC(=S)NNC(=O)c2cccs2)cc1Cl 6646958 QWKOPNSLRJLGOX-UHFFFAOYSA-N 369.855 2.359 50 40 FEGB CCCOC(=O)C1=C(C)O[C@]23OC(N)=C(C#N)[C@@]12C(=O)c1ccccc13 100615584 XHPDNVGMLNDLMK-RBUKOAKNSA-N 352.346 2.004 50 40 FEGB COc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc([N+](=O)[O-])c1O 409207154 PTKVFLKBFFUYAK-UZPSYVQNSA-N 354.322 2.066 50 40 FEGB Cc1ccc(C(=O)NNC(=O)c2cc(S(C)(=O)=O)ccc2C)c(C)c1 8143357 XNKYIVOJMFIGKB-UHFFFAOYSA-N 360.435 2.090 50 40 FEGB C=CC[C@@H](C[C@@H](O)COCCC)C(=O)NNC(=S)Nc1ccccc1 13687884 LFJGXNPEGNAGDJ-GOEBONIOSA-N 365.499 2.374 50 40 FEGB CN(C)c1nc(N)nc(/C(C#N)=C\c2ccc(OC[C@H]3CCCO3)cc2)n1 96939685 BNLUQMUZQAGMRH-SCOADAFUSA-N 366.425 2.142 50 40 FEGB C[C@@H]1CCc2sc(C(=O)NNC(=S)NC[C@H]3CCCO3)cc2C1 6337006 QENOPVAFJXPJCY-ZYHUDNBSSA-N 353.513 2.161 50 40 FEGB COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc([N+](=O)[O-])c1O 409353593 NXMOQIPVFDEMLF-UFWORHAWSA-N 362.317 2.010 50 40 FEGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(N)=O 83292775 PZSKEXNLWPNEHZ-NHDPSOOVSA-N 355.394 2.022 50 40 FEGB Cc1ccc(S(=O)(=O)/C(C#N)=C/N[S@@](=S)c2ccncc2)cc1 5553272 VNMNSCWHDFSDNN-DAXPHYLKSA-N 363.489 2.173 50 40 FEGB CC[C@H](Br)C(=O)NCCC(=O)Nc1ccc(N(C)C)cc1 8733442 XGKJWABSZQVFOF-ZDUSSCGKSA-N 356.264 2.371 50 40 FEGB COc1ccc([C@@H]2C(C#N)=C(S)N[C@](C)(O)[C@H]2[n+]2ccccc2)cc1 27112926 KXEKURHMFVUHNN-ZIFCJYIRSA-O 354.455 2.284 50 40 FEGB C/C(CC(=O)N(C(C)C)C(C)C)=N\NC(=O)C(=O)Nc1ccccc1C 5343962 QIEWGKWAXDBECD-RCCKNPSSSA-N 360.458 2.461 50 40 FEGB N#C/C(C(=O)Nc1nnc(C(F)(F)F)s1)=C1\C(=O)Nc2ccccc21 4544249 FEPHFKXAWQUXIE-VQHVLOKHSA-N 365.296 2.425 50 40 FEGB CS(=O)(=O)[C@H](I)[C@@H](O)c1ccc(Cl)cc1 96519174 PXAXTLZYDOFACQ-IUCAKERBSA-N 360.600 2.179 50 40 FEGB Cc1nn(C)c(F)c1/C=N/NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 252482591 DJWAVFWGMBKLMC-CGOBSMCZSA-N 372.326 2.111 50 40 FEGB COCCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccccc2)c1C 7040196 FOTWFBRSTUSZBR-HMAPJEAMSA-N 370.453 2.087 50 40 FEGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1cnn2c(C)cc(C)nc12 32761011 XBXSZQFMVRQENX-UHFFFAOYSA-N 373.800 2.083 50 40 FEGB O=C(NNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccs1 6509761 VWRNMNAAAZPNFN-UHFFFAOYSA-N 372.450 2.453 50 40 FEGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNc1ccc(C)cc1 408531440 OCADZOHBHGMCSH-CIAFOILYSA-N 366.377 2.477 50 40 FEGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3)CC2=O)cc1C 408615428 QHKXYDDDXOQZGN-MRXNPFEDSA-N 351.406 2.118 50 40 FEGB COc1ccccc1N[C@@H](C)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 36007994 UOGAKONDNQZTNY-HPAYWCODSA-N 358.354 2.260 50 40 FEGB COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] 33740615 FEXIHMZQYSWBSZ-YVLHZVERSA-N 358.310 2.204 50 40 FEGB Cc1ccc(OCC(=O)N/N=C\c2ccc(C(=O)O)cc2)c([N+](=O)[O-])c1 30721767 AISVAIRRIHYEHC-NVMNQCDNSA-N 357.322 2.131 50 40 FEGB COc1ccc(-n2nc(C(=O)NN)cc2-c2ccc(OC)cc2OC)cc1 59472518 QAABESOAZHUDRM-UHFFFAOYSA-N 368.393 2.169 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2C)c(OC)c1 59506878 QBDCRLAYFLLGDY-RGVLZGJSSA-N 355.394 2.409 50 40 FEGB COc1cccc(/C=N/NC(=O)c2ccc(F)cc2)c1O[C@H](C)C(=O)O 409230809 FVHIDSIFGMFYHK-JZOCJUILSA-N 360.341 2.450 50 40 FEGB COc1ccc([C@H]2c3cc4c(cc3O[C@H](NNC(N)=O)[C@@H]2C)OCO4)cc1 5956707 GLLWVTQEQLAITJ-APEXYLGGSA-N 371.393 2.083 50 40 FEGB CC(C)OC(=O)[C@H]1/C(=N/NC(=O)CC#N)C[C@](C)(O)C[C@@H]1c1ccccc1 100249732 NDLPWJOXTYXKLK-JUOMABNCSA-N 371.437 2.269 50 40 FEGB CN(CC(=O)NNC(=O)COc1ccc(Cl)cc1)C1CCCCC1 6552579 DESPVMJIQGPRJF-UHFFFAOYSA-N 353.850 2.131 50 40 FEGB COc1ccc(Cl)cc1C(=O)N/N=C(\C)c1c(O)cc(C)oc1=O 4155435 KCCBHLDVPOQRTB-GIJQJNRQSA-N 350.758 2.470 50 40 FEGB CCN1CCC(=C2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(CC)C[C@H]32)CC1 1073644 MHGRKGNFNCVFBB-QGZVFWFLSA-N 362.481 2.060 50 40 FEGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1OC 8812350 MWMLDYCWKJCFRG-KEBDBYFISA-N 360.341 2.150 50 40 FEGB COc1ccc(S(=O)(=O)NNC(=O)c2cccc3ccccc23)cc1 686322 CNXXKUNKVPCHHA-UHFFFAOYSA-N 356.403 2.472 50 40 FEGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCC#N 59334341 KWQKFMDUTJOEIB-WDZFZDKYSA-N 364.199 2.355 50 40 FEGB Cc1cc(C(=O)N/N=C/c2c(CO)cnc(C)c2O)c2ccccc2n1 12768911 QHCQQNZVSHRZPN-ZVBGSRNCSA-N 350.378 2.208 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC#N 6441228 MYBKCOSXMANKSS-YBFXNURJSA-N 354.322 2.270 50 40 FEGB CCCOC(=O)[C@H](Br)[C@H](Br)C(=O)OCCC 1627257 CFUJCIOCXQWFHI-OCAPTIKFSA-N 360.042 2.420 50 40 FEGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(Cl)c1O 409266675 KUSYHDOMXFMKJJ-UFWORHAWSA-N 365.748 2.282 50 40 FEGB CCCS(=O)(=O)N1CCC[C@H]1C(=O)NNc1ccc(C)c(Cl)c1 28994278 SRZVASKUADEKST-AWEZNQCLSA-N 359.879 2.296 50 40 FEGB Cc1cccc(OCC(=O)N/N=C\c2ccccc2OCC(=O)O)c1C 4714510 HERHNPPMZDNNMR-JMIUGGIZSA-N 356.378 2.296 50 40 FEGB O=C(N/N=C/c1ccc(O)cc1)C1CCN(C(=O)c2ccccc2)CC1 108781330 OAIGBBKZDTZWHE-KGENOOAVSA-N 351.406 2.395 50 40 FEGB CCc1ccc2c(c1)/C(=N\NC(=O)c1ccc(OC)c(OC)c1)C(=O)N2 20816683 VKYUJUISZOTGOO-UHFFFAOYSA-N 353.378 2.352 50 40 FEGB C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4ccco4)c(=O)c23)C1 948545 KRARQLDTQDJRIA-VNQCRBAESA-N 370.434 2.326 50 40 FEGB CC(C)NS(=O)(=O)C[C@@]1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2Br 103411602 LHRRJWWOLCXNLP-LFSVMHDDSA-N 352.294 2.083 50 40 FEGB CS(=O)(=O)N(CC(=O)N/N=C\c1ccc(Cl)cc1)C1CCCCC1 110067711 JQWBRQWKXHZDPW-WQRHYEAKSA-N 371.890 2.384 50 40 FEGB Cc1cc2c(c(=O)n1Cc1ccccn1)[C@@H](c1ccco1)C(C#N)=C(N)O2 2253345 YTFMTGHRKOXQCK-QGZVFWFLSA-N 360.373 2.411 50 40 FEGB Cc1cc2c(c(=O)n1Cc1ccccn1)[C@H](c1ccco1)C(C#N)=C(N)O2 2253346 YTFMTGHRKOXQCK-KRWDZBQOSA-N 360.373 2.411 50 40 FEGB C/C(=N\NC(=O)c1cccnc1)c1ccc(OCC(=O)N2CCCC2)cc1 5163164 GEZIGPZZIUFWJU-PXLXIMEGSA-N 366.421 2.237 50 40 FEGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cnc3cnccn23)cc1 96035440 ORLZSYAZNBLCHU-NTEUORMPSA-N 361.361 2.452 50 40 FEGB O=C(NCCSc1ccc(Cl)cc1)NNC(=O)c1ccccn1 9502279 IFXLMMIJPSOWBT-UHFFFAOYSA-N 350.831 2.471 50 40 FEGB CCOc1ccc(C(=O)NNC(=O)c2ccncc2)cc1Br 5980476 UGQIKDJYZRATCL-UHFFFAOYSA-N 364.199 2.318 50 40 FEGB O=C1N[C@@H]2CS[C@H](CCCCC(=O)Oc3ccc([N+](=O)[O-])cc3)[C@@H]2N1 2564006 YUDNXDTXQPYKCA-UMVBOHGHSA-N 365.411 2.226 50 40 FEGB O=C(COc1ccccc1Cl)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 12285347 APLJPOXOMZWNDS-UHFFFAOYSA-N 374.740 2.100 50 40 FEGB CNC(=O)/C(C#N)=C/c1c(Oc2ccccc2C)nc2ccccn2c1=O 4205536 XMZLTLGIYQJPBC-SDNWHVSQSA-N 360.373 2.448 50 40 FEGB CCn1cc(Br)c(/C(C)=N\NC(=O)[C@H](C)n2ccc(C)n2)n1 6490150 HKQVDUFPHVEPOM-OKHBPPCESA-N 367.251 2.272 50 40 FEGB O=C(NN[C@H]1c2ccccc2C(=O)N1C[C@H]1CCCO1)c1ccccc1 199418238 POYLWCZYLFNVHD-CRAIPNDOSA-N 351.406 2.255 50 40 FEGB CCn1ncc(Br)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 253405403 SFQUCQNMWDFTMG-LBPRGKRZSA-N 363.215 2.480 50 40 FEGB Cc1nn(-c2ccccc2)nc1C(=O)NNC(=S)Nc1ccccc1 3136275 FQLITJICTGQJMZ-UHFFFAOYSA-N 352.423 2.207 50 40 FEGB biogenic CCOc1ccccc1OCC(=O)NNC(=O)/C=C/c1ccc(F)cc1 12806867 HTNITHJNOKZKKT-FMIVXFBMSA-N 358.369 2.464 50 40 FEGB Cc1ccc(C)c(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)c1 101313069 AVLSKUNSNOKZRA-BLCHQYFCSA-N 372.899 2.144 50 40 FEGB N#Cc1c(N2CCCCC2)nc(N)c2c(N)nc3c(c12)C[C@H](CCl)O3 12504772 XBQTYQLALGALGP-SECBINFHSA-N 358.833 2.198 50 40 FEGB CN(Cc1ccsc1)C(=O)CSC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1 12852187 FZJMKOQMAZTIIV-LBPRGKRZSA-N 374.491 2.471 50 40 FEGB CC(C)N1C(=O)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 6327553 RRLFELDBMZOJCX-KNTRCKAVSA-N 352.350 2.484 50 40 FEGB O=[P@@](OC[C@@H](O)CO)(Oc1ccccc1)N(CCCl)CCCl 1717217 HBYCFRYSXHQVKA-YTEVENLXSA-N 372.185 2.323 50 40 FEGB O=C(Cc1ccccn1)NNC(=O)C1(c2ccc(Cl)cc2)CCOCC1 104449214 SXYNDIXULUPDMS-UHFFFAOYSA-N 373.840 2.173 50 40 FEGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cc(Cl)ccc1F 13001676 WGFORXKIWKKEJO-CQSZACIVSA-N 350.733 2.080 50 40 FEGB N#C/C(=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21)c1nnc2n1CCCCC2 5259709 SVOIVLBPEILDOO-QINSGFPZSA-N 350.338 2.299 50 40 FEGB O=C(NNC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1cccc(O)c1 9155118 ALBIZQQYUPADLZ-UHFFFAOYSA-N 362.389 2.141 50 40 FEGB COC(=O)Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc21 409198381 FGFZVXHGXGASBB-IDJPSDCMSA-N 367.405 2.016 50 40 FEGB CCOC(=O)c1c(C)[nH]c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1C 2686068 WIBUZAKHAFCONZ-GIJQJNRQSA-N 358.354 2.480 50 40 FEGB O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1ccc(F)cc1 5584366 BPJRHPIXDYFDSE-DJKKODMXSA-N 358.764 2.283 50 40 FEGB O=C1C[C@@H](C2([C@H]3CC(=O)OC3=O)c3ccccc3-c3ccccc32)C(=O)O1 627281284 KWAZRHYTFWYYEZ-IYBDPMFKSA-N 362.337 2.133 50 40 FEGB COc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C 8549631 PGABNPAHMYAINN-UHFFFAOYSA-N 369.421 2.492 50 40 FEGB C=CCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C 58911470 PTUNLLOPMXXZAH-SRZZPIQSSA-N 358.829 2.500 50 40 FEGB O=C(CNc1nc2ccccc2s1)NNC(=O)c1n[nH]c2ccccc12 58283204 DFVNYOIWLIPHDI-UHFFFAOYSA-N 366.406 2.046 50 40 FEGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCC(N)=O 4544406 LODZLZYFVMXWTI-LVTPQQFMSA-N 371.437 2.161 50 40 FEGB CCNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@@H]3c1ccncc1 15082514 NMWXENKECOLHEX-JTQLQIEISA-N 366.406 2.030 50 40 FEGB COc1ccc(N(CC(=O)NN=C2CCCC2)S(C)(=O)=O)cc1Cl 408771155 DOMFWQNZIJEKSM-UHFFFAOYSA-N 373.862 2.161 50 40 FEGB CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1O 36237448 HPOVYYZGMYSNOS-QGMBQPNBSA-N 373.321 2.192 50 40 FEGB C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1O 95482950 LCWZGQANICWZMX-YVLHZVERSA-N 358.310 2.292 50 40 FEGB COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccc(NC(C)=O)cc2)c1O 105799159 IHTPFNGIDRJNRM-NVMNQCDNSA-N 372.337 2.031 50 40 FEGB Cc1ccccc1OCC(=O)NNC(=O)c1c[nH]nc1-c1ccc(F)cc1 12532420 JATJYOZZBSTLED-UHFFFAOYSA-N 368.368 2.364 50 40 FEGB CC(=O)O[C@H]1C[C@H](Br)[C@H](Br)C[C@@H]1OC(C)=O 4127978 XXYPEZQMKPVAQY-JXUBOQSCSA-N 358.026 2.171 50 40 FEGB CCOc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CCC3)cc1 7520107 HDBHBDBFKJGKKD-UHFFFAOYSA-N 360.435 2.197 50 40 FEGB CCc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(OC)cc2)cc1 11612065 NYSQKESOPKEPIM-CQSZACIVSA-N 372.421 2.251 50 40 FEGB N#C/C(=C\c1cc(Br)ccc1O)C(=O)NC[C@H]1CCCO1 3414231 ALRFVOZIDNIWFB-ASJRZHAZSA-N 351.200 2.357 50 40 FEGB Cc1ccc(C(=O)N/N=C\c2ccc(I)o2)cn1 4724716 UZXRBYUXOCXKAH-CHHVJCJISA-N 355.135 2.352 50 40 FEGB O=C(NNC1=NS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1Cl 5604693 ZZICQRAKECEIGE-UHFFFAOYSA-N 370.217 2.377 50 40 FEGB COc1c(Br)cc(/C=C/C(=O)NN)cc1Br 226763932 RGRVOUWQRYTGGT-NSCUHMNNSA-N 350.010 2.223 50 40 FEGB O=C(N/N=C\c1ccc(Br)o1)c1cc([N+](=O)[O-])ccc1O 83327000 UEQZHCDLRYTCLJ-NSIKDUERSA-N 354.116 2.420 50 40 FEGB Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1C[C@H]1CCCO1 41778708 GRIRHAVTEFCIGT-AQXMTDBDSA-N 357.454 2.486 50 40 FEGB COc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-] 6761431 DGWRTLOSIHHJME-VCHYOVAHSA-N 356.338 2.326 50 40 FEGB NNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Cl 102414188 MPVAGBNUWGCDLS-NTEUORMPSA-N 360.757 2.009 50 40 FEGB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)c1cccs1 8735262 IRDXADCQHGHOGC-AWEZNQCLSA-N 351.472 2.230 50 40 FEGB Cc1ccc(C(=O)CCC(=O)NNC(=O)c2ccc3c(c2)OCO3)s1 8881172 DHAMSDPGXGLZCE-UHFFFAOYSA-N 360.391 2.209 50 40 FEGB Cc1csc(CC(=O)NNC(=O)CN2CCC[C@@H]2c2cccs2)n1 9502649 CMAMHKJRBVIUMS-GFCCVEGCSA-N 364.496 2.040 50 40 FEGB COc1ccc(Br)cc1C(=O)NNC(=S)NC(C)(C)C 75565309 ZBUQIWJIAXEWJS-UHFFFAOYSA-N 360.277 2.365 50 40 FEGB C[C@H]1CN(CCC(=O)NNC(=O)c2ccc3ccccc3c2)C[C@H](C)O1 24258618 WTIFYZYVOPZDFC-GJZGRUSLSA-N 355.438 2.100 50 40 FEGB O=C(N/N=C/c1cccc(O)c1)C(=O)Nc1ccc(Br)cc1 59434209 VMZBWHQBZWOHFI-RQZCQDPDSA-N 362.183 2.244 50 40 FEGB Cc1ccsc1/C=N/NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 20211970 JQKOGDYPKZOPNN-RQZCQDPDSA-N 369.443 2.112 50 40 FEGB O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1 8146600 GSMYPULTTUDKOM-UHFFFAOYSA-N 354.366 2.270 50 40 FEGB O=C(NNS(=O)(=O)/C=C/c1ccccc1)c1ccc2ccccc2n1 12761528 CJHJVAHDXOHVIU-OUKQBFOZSA-N 353.403 2.470 50 40 FEGB C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)c1ccccc1N 16137136 WNZZOZLZIUIMHF-LPYMAVHISA-N 353.426 2.469 50 40 FEGB COc1ccc(-c2nnc(-c3cc(C(=O)NN)c(C)nc3C)o2)cc1OC 1080175 NKUGONDNKFGZKQ-UHFFFAOYSA-N 369.381 2.036 50 40 FEGB C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1cccnc1)c1cccnc1 4646838 WXWDACIXWWGWCT-HOFJZWJUSA-N 366.425 2.028 50 40 FEGB O=C(N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O)c1cccnc1 32116966 BRELQJFUAOJKBB-APSNUPSMSA-N 365.143 2.222 50 40 FEGB O=S(=O)(CCCCCl)Nc1cccc(-c2nnnn2C2CC2)c1 97163510 RYNMXRZZSDRSTJ-UHFFFAOYSA-N 355.851 2.436 50 40 FEGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCc1ccccc1 8218859 UNINHIRGDPNXEA-CIAFOILYSA-N 367.405 2.003 50 40 FEGB COc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1 786405 CARWBOBNVCOUCY-UHFFFAOYSA-N 355.803 2.364 50 40 FEGB Cc1ncc(CO)c(/C=N/NC(=O)c2cc3ccccc3cc2O)c1O 1496976 YWYICEIRWLFYIE-ZVBGSRNCSA-N 351.362 2.211 50 40 FEGB CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/C=C/c2ccccc2)C1=O 16753057 QHYYXQYWEZBMGW-XEWCJNAKSA-N 350.374 2.398 50 40 FEGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)ccc1OC 2709996 SRCQGNWNUNHLPB-INIZCTEOSA-N 353.378 2.309 50 40 FEGB C/C(CC(=O)NC[C@@H]1CCCO1)=N\NC(=O)c1cc2ccccc2cc1O 101510139 UKTLBCGSYJUEIK-QPNANDPSSA-N 369.421 2.336 50 40 FEGB CC1=CC(=O)/C(=C(/C)NNC(=O)c2cc3ccccc3cc2O)C(=O)O1 104503613 AFANVJORPMZQDZ-GZTJUZNOSA-N 352.346 2.084 50 40 FEGB O=C(Cc1c[nH]c2ccccc12)NNS(=O)(=O)c1cccc(Cl)c1 7383977 LXARRWKSNYMXCK-UHFFFAOYSA-N 363.826 2.374 50 40 FEGB CC1(CC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SCCS1 6348134 LWUXFOSYRQBXHG-VIZOYTHASA-N 369.424 2.360 50 40 FEGB N#C/C(=C/c1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 4739754 XQYNJKJGPADQRJ-XFFZJAGNSA-N 366.171 2.123 50 40 FEGB C[C@@H]1CCC[C@H](N2C[C@@H](C(=O)NNC(=O)C3CCCCC3)CC2=O)[C@@H]1C 12602000 LBDSDISCHJNTGW-JHNDHUHGSA-N 363.502 2.387 50 40 FEGB O=C(CSCC(=O)N/N=C/c1ccccc1)N/N=C\c1ccccc1 31614662 KXBZBEIHDZTADD-UHWBUFEVSA-N 354.435 2.020 50 40 FEGB Cn1c2ccccc2c2cc(C(=O)NNC(=O)C3=COCCO3)sc21 9749376 LLTDVWPTUQIHOO-UHFFFAOYSA-N 357.391 2.042 50 40 FEGB C=CCOc1cccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)c1 408751839 CRTFMNGHYRGXGY-JCMHNJIXSA-N 351.406 2.408 50 40 FEGB O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)N(Cc2ccccc2)C1 15503927 JWEAZVSMNYXPQO-CQSZACIVSA-N 354.366 2.087 50 40 FEGB C/C(NNC(=O)c1ccccc1)=C1/C(=O)N(C2CCCCC2)C(=O)N=C1O 17027936 YJGPQCADKRAQFX-QINSGFPZSA-N 370.409 2.446 50 40 FEGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(N)=O)c2C)cc1 3370305 HZBNLNUASYMHSV-MHWRWJLKSA-N 367.405 2.428 50 40 FEGB CCOC(=O)NNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 44851984 UDQHNPGUSVXRRU-UHFFFAOYSA-N 362.407 2.051 50 40 FEGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)COc2cccc(F)c2)c1C 12782695 YFCRVIQWVIDPSX-AWEZNQCLSA-N 360.385 2.436 50 40 FEGB CCCNC(=O)CCC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)o1 9434816 NMHFGRBDQYTJQT-UHFFFAOYSA-N 361.373 2.153 50 40 FEGB O=C(N/N=C\c1ccccc1O)C(=O)Nc1cccc(Br)c1 36239890 ADUAQQOLLIVUOW-MFOYZWKCSA-N 362.183 2.244 50 40 FEGB CCNC(=O)C/C(C)=N/NC(=O)COc1ccc(C)cc1Br 4416262 VHMPUKXKLPJCRN-WOJGMQOQSA-N 370.247 2.155 50 40 FEGB CC(C)n1nc(C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc2c1=O 103911331 RJDMDPHZHPDELW-HEHGZKQESA-N 368.437 2.175 50 40 FEGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)CC(=O)N1 2312004 HYKCKLPIKAOILX-NSHDSACASA-N 360.391 2.050 50 40 FEGB COc1cccc(/C=N/NC(=O)c2ccc(O)cc2)c1O[C@H](C)C(=O)O 409237978 KQCXHBZEERKONH-VURRPDKYSA-N 358.350 2.017 50 40 FEGB CS(=O)(=O)c1cccc(OCC(=O)NNc2cccc(Cl)c2)c1 51322284 CVMSIQRODNNPCL-UHFFFAOYSA-N 354.815 2.266 50 40 FEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1 7869661 BJLAPNABAXMOLA-PXLXIMEGSA-N 351.406 2.060 50 40 FEGB CCN(CC(=O)NNC(=O)Cc1nc(C)cs1)c1cc(C)cc(C)c1 70017370 GELNDEHJRMUAFX-UHFFFAOYSA-N 360.483 2.285 50 40 FEGB CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(F)cc1F 12806863 LSGMNDYNQDXQRG-UHFFFAOYSA-N 350.321 2.204 50 40 FEGB CC(=O)O[C@H]1C[C@@H](Br)[C@H](Br)C[C@H]1OC(C)=O 4127979 XXYPEZQMKPVAQY-KYXWUPHJSA-N 358.026 2.171 50 40 FEGB O=C(CSc1ccc2c(c1)OCCO2)NNC(=O)c1cccs1 6451391 MJGLYDIRJXFWNO-UHFFFAOYSA-N 350.421 2.073 50 40 FEGB O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Cl)cc1 13622961 WCHNYNDQMFXTEG-OAHLLOKOSA-N 371.824 2.150 50 40 FEGB C/C(=N\NC(=O)Cc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 408589345 LLKRVRGYTPFCII-UDWIEESQSA-N 354.362 2.269 50 40 FEGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cn2)c(O)c1 4812555 FWDFINPUDCQZBV-VXLYETTFSA-N 357.370 2.306 50 40 FEGB O=C(N/N=C\c1ccc(O)c(I)c1)c1ccco1 408905020 SAGLQTAMYJLVHF-AUWJEWJLSA-N 356.119 2.354 50 40 FEGB COc1ccc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc1OC 409361438 HGUHTGJIZJIUDE-NDENLUEZSA-N 356.378 2.168 50 40 FEGB CCOc1ccc2[nH]c(=O)c([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2c1 17837326 OSWAEIPHLAWWMZ-INIZCTEOSA-N 363.377 2.177 50 40 FEGB Cc1occc1C(=O)NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 7518650 OTONQWGDUNYJBD-UHFFFAOYSA-N 364.301 2.110 50 40 FEGB O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cc2ccccc2o1 4159655 HHXSOOCFTXLZJP-UHFFFAOYSA-N 355.306 2.181 50 40 FEGB COc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1OC 723722 AQSZVVXNLSRJIH-UHFFFAOYSA-N 364.785 2.197 50 40 FEGB Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 14202998 XWLSAOZXXRNELB-UHFFFAOYSA-N 365.349 2.368 50 40 FEGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)c1 4699060 ANBQVYRSKMKRJE-VXLYETTFSA-N 361.785 2.446 50 40 FEGB COc1cccc(C(=O)NNC(=O)C(=O)Nc2cccc3ccccc23)c1 4838904 SCELOHKTFHMTBB-UHFFFAOYSA-N 363.373 2.248 50 40 FEGB O=C(O)c1c[nH]c2ccc(S(=O)(=O)N(CCCl)CCCl)cc12 820740 XNCVEGWDJODWJT-UHFFFAOYSA-N 365.238 2.334 50 40 FEGB CCN(CC)c1ccc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)cc1 1226054 QGLASOVWDQZOSC-UDWIEESQSA-N 365.441 2.351 50 40 FEGB O=C(CCN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccc(O)cc1 22454286 ILZXICBQLHQQFD-CJLVFECKSA-N 366.465 2.050 50 40 FEGB Cc1cc([N+](=O)[O-])nn1CC(=O)N/N=C/c1ccccc1Br 2227122 KDCDMPHHABOUDT-VIZOYTHASA-N 366.175 2.013 50 40 FEGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 17075671 SOVISBCURZICPR-CHWSQXEVSA-N 368.817 2.066 50 40 FEGB O=C(CCCc1nc(-c2ccccc2)no1)NNC(=O)c1ccccc1O 8878540 LMQGJDRLFIZWJQ-UHFFFAOYSA-N 366.377 2.226 50 40 FEGB C[C@H](Oc1ccccc1F)C(=O)N/N=C/c1cnn(-c2ccccc2)n1 7785927 GANUJIRUXBRVGP-HSWQHBDASA-N 353.357 2.324 50 40 FEGB Cc1c(/C=C(/C#N)C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)cc(C#N)n1C 98054161 ODOITPAPPDXQBM-IASADNMZSA-N 368.437 2.350 50 40 FEGB O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1ccc([N+](=O)[O-])cc1 409143880 OEOLCQKNIBYFBR-UDWIEESQSA-N 372.356 2.334 50 40 FEGB CC(C)(C)OC(=O)N1CCN(CCCI)CC1 575419748 KJLVKGQGGZRWBM-UHFFFAOYSA-N 354.232 2.364 50 40 FEGB O=C(COC(=O)/C=C/c1ccccc1Cl)NNC(=O)c1ccccc1 3393380 IQEATIBBSGPHJS-ZHACJKMWSA-N 358.781 2.358 50 40 FEGB COc1ccc2c(c1OC)C(=O)O[C@@H]2C/C(=N/NC(N)=O)c1ccccc1 1469169 VUKDHTGMLJKTDW-PJMHOZITSA-N 369.377 2.378 50 40 FEGB O=C(COc1cccc(F)c1)NNC(=O)c1ccc(OC(F)F)cc1 3553196 UKJMOTBNRPPVBV-UHFFFAOYSA-N 354.284 2.267 50 40 FEGB C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)cc2C1 102633206 MVPXBNGAEOTHBS-AQQMGXQTSA-N 374.462 2.157 50 40 FEGB COC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C\N(CCCl)CCCl 104050229 LMBVSKNWHPFDMH-XMELGKRDSA-N 373.280 2.180 50 40 FEGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1 6404958 SJNATEFINMVBIH-LLVKDONJSA-N 366.776 2.473 50 40 FEGB C=CCc1cc(/C=N\NC(=O)c2ccco2)cc(OC)c1OCC(=O)O 408850506 BAZCMIORAMPMEO-GRSHGNNSSA-N 358.350 2.244 50 40 FEGB O=C(NN1C(=O)[C@H](Cl)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1O 1633505 WTESRMWBOCISMY-ZIAGYGMSSA-N 361.741 2.136 50 40 FEGB CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl 1702271 BDCWQOMLWHXEAK-JKSUJKDBSA-N 352.862 2.073 50 40 FEGB CCOc1ncccc1CNC(=O)NNC(=O)c1cn(C)c2ccccc12 32795053 GVHQOVSWIOZACH-UHFFFAOYSA-N 367.409 2.116 50 40 FEGB O=C(Cc1cccc2ccccc12)NNC1=NS(=O)(=O)c2ccccc21 1084527 WAGIKNDQJRQYRQ-UHFFFAOYSA-N 365.414 2.152 50 40 FEGB COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2ccc(O)cc2O)cc1 5634365 DRCWIBLERGORJQ-JMIUGGIZSA-N 352.350 2.260 50 40 FEGB O=C1Nc2ccccc2/C1=N\NC(=O)C(O)(c1ccccc1)c1ccccc1 84522845 VUYCLRUGCOCJDI-UHFFFAOYSA-N 371.396 2.395 50 40 FEGB O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc(F)c1 409017463 WVAOEJNMWPXMAY-UDWIEESQSA-N 372.356 2.334 50 40 FEGB COC(=O)[C@@H](CCCI)NC(=O)OC(C)(C)C 223561518 UIRGEQFGUBOMIT-MRVPVSSYSA-N 357.188 2.268 50 40 FEGB CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NN)cc1 1501751 IMSIZYPXOFIUJE-LFIBNONCSA-N 358.829 2.167 50 40 FEGB Cc1cc[n+](-c2[nH]c(=O)sc2/C=N\NC(=O)c2ccccc2)cc1C 13139569 VSCQQXWNOGFHHT-UHFFFAOYSA-O 353.427 2.094 50 40 FEGB NNC(=O)c1cn(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc12 226368090 PBSIAPGLGNWCFE-UHFFFAOYSA-N 358.741 2.495 50 40 FEGB N#CC1=C(S)NC(=O)[C@H]([n+]2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-] 13765147 XLKDMRDJWHDQEH-LSDHHAIUSA-O 353.383 2.002 50 40 FEGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)COc2cc(C)cc(C)c2)c1C 8266081 SVSDJGCOFGNTJD-UHFFFAOYSA-N 357.410 2.291 50 40 FEGB COc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 694311 REUXRILBJVRRKD-UFFVCSGVSA-N 370.409 2.332 50 40 FEGB Cc1ccc(C)c(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 101313077 AVLSKUNSNOKZRA-LTUGMUNRSA-N 372.899 2.144 50 40 FEGB O=C(CCC(=O)c1ccc2c(c1)OCCO2)NNC(=O)c1ccc(F)cc1 14069574 MTRPUCCFADEHAV-UHFFFAOYSA-N 372.352 2.021 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1O[C@H](C)C(=O)O 409017947 WNIGSYXRWZWYGD-JZOCJUILSA-N 360.341 2.450 50 40 FEGB CCOc1cc(/C=N/NC(=O)c2ccccc2OC)cc([N+](=O)[O-])c1O 5872090 YXJADNODIBYBJM-VCHYOVAHSA-N 359.338 2.472 50 40 FEGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2OCC)ccc1O 5908574 XOAHSXZARZVHDD-UDWIEESQSA-N 371.393 2.278 50 40 FEGB O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1cccc2ccccc12 109649368 XPYWPLGMZMZQCL-CLROSIBMSA-N 350.374 2.124 50 40 FEGB COc1ccc(-n2nc(C(=O)NN)cc2-c2cc(OC)ccc2OC)cc1 59472523 KINRNGDTBQRBRM-UHFFFAOYSA-N 368.393 2.169 50 40 FEGB Cc1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 408614910 JQQXAJTZZSNXGR-KRWDZBQOSA-N 365.433 2.426 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccccc2OC)c([N+](=O)[O-])cc1OC 6174929 LEKUWAMBASBANF-VCHYOVAHSA-N 359.338 2.385 50 40 FEGB COc1c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc2c(c1OC)OCO2 15109939 AIGTYVKNSKRJSL-AWEZNQCLSA-N 370.361 2.247 50 40 FEGB CCCCc1n[nH]c2c1[C@]1(C(=O)Nc3ccc(F)cc31)C(C#N)=C(N)O2 17724775 ZIOIFCIAIZEWBS-GOSISDBHSA-N 353.357 2.216 50 40 FEGB CN(C)c1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 59515596 OCHPKVSBULWNSA-CIAFOILYSA-N 358.829 2.173 50 40 FEGB CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1cc(OC)ccc1OC 59435531 HDFVBFPUFRKXPL-UDWIEESQSA-N 371.393 2.191 50 40 FEGB O=C(CNC(=O)c1ccccc1Cl)NNC(=O)c1ccccc1Cl 3549326 PQYWQJZJKANBRU-UHFFFAOYSA-N 366.204 2.184 50 40 FEGB Cc1ccc(C(=O)NNC(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cc1 30017877 BPONZOKMZKSIFD-GASCZTMLSA-N 368.437 2.078 50 40 FEGB COC(=O)c1ccc(COc2ccc(/C=N\NC(=O)CC#N)cc2OC)o1 30803235 MOOFGAZDCUVIDC-JMIUGGIZSA-N 371.349 2.018 50 40 FEGB CCOc1ccc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)cc1 32116910 RHDQKGZGQXAGGU-JCMHNJIXSA-N 353.422 2.284 50 40 FEGB CCOc1ncccc1C(=O)NNC(=O)COc1ccc(Cl)c(C)c1 8325676 HEQCJPVEHNWYJF-UHFFFAOYSA-N 363.801 2.282 50 40 FEGB CCOC(=O)c1csc(N(NC(=O)c2ccccc2)C(=O)CCl)n1 5274677 BKYVODLTIQVMTA-UHFFFAOYSA-N 367.814 2.237 50 40 FEGB COC(=O)c1cccc(Cn2cc(/C=N/NC(N)=O)c3ccccc32)c1 408541617 DOKJJPBQSBIJCL-UFFVCSGVSA-N 350.378 2.478 50 40 FEGB O=C(N/N=C\c1ccc(O)c(O)c1)c1cc(Br)ccc1O 408865870 CIPJUDPEFHVKOZ-APSNUPSMSA-N 351.156 2.330 50 40 FEGB CCC(=O)Nc1nnc(CC(=O)N/N=C/c2c(C)[nH]c3ccccc23)s1 408732874 ZZWXJTYJYKNYCN-GIJQJNRQSA-N 370.438 2.369 50 40 FEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1OC 7869793 LZFYBBCCRCZVSM-HYARGMPZSA-N 367.405 2.027 50 40 FEGB O=C(/C=C/c1cccc2cccnc12)NNC(=O)c1ccc2c(c1)OCO2 25150858 GCLRXEDRXVKHLT-VQHVLOKHSA-N 361.357 2.438 50 40 FEGB O=C(COc1ccccc1Cl)N/N=C\c1ccc(N2CCOCC2)o1 409011324 GBXCQJNTFTXQFW-ODLFYWEKSA-N 363.801 2.299 50 40 FEGB O=C(N/N=C\c1ccc(Br)o1)[C@H]1COc2ccccc2O1 13152508 JDXIZYHPMLDQPR-YNUIFBACSA-N 351.156 2.332 50 40 FEGB C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN 34925122 LHLCUUKNXGZTPD-UHFFFAOYSA-N 368.466 2.311 50 40 FEGB Cc1nn([C@@H](C)C(=O)N/N=C/c2ccc(N(C)C)cc2)c(C)c1[N+](=O)[O-] 5177581 SDQWAYRKXBSRFT-SGPNVBEDSA-N 358.402 2.185 50 40 FEGB CCOC(=O)[C@H](CC)/C(C)=N/NC(=O)c1cc(OC)c(OC)c(OC)c1 4523975 HHAKEXPPOROJRZ-OTGIAGGSSA-N 366.414 2.407 50 40 FEGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1C 6983997 IRWZUIHYWZFLJZ-CYBMUJFWSA-N 356.378 2.261 50 40 FEGB C/C(CC(=O)Nc1cccc(F)c1)=N\NC(=O)C(=O)NC1CCCCC1 100554448 KXHMOBFQHALTIZ-WSDLNYQXSA-N 362.405 2.095 50 40 FEGB O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 1103297 TWGOYVNZLQINKO-UHFFFAOYSA-N 364.155 2.432 50 40 FEGB CCC(NC(=O)NNC(=O)c1ccncc1)(C(F)(F)F)C(F)(F)F 2198350 AEWYXTRBAHKMFE-UHFFFAOYSA-N 358.242 2.299 50 40 FEGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc2c1OCO2 34044609 QEVYVYPSEWQDPA-QGZVFWFLSA-N 366.329 2.371 50 40 FEGB CN(CC(=O)N/N=C/c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 8042709 DWUXVNJQGXJPTP-WOJGMQOQSA-N 365.842 2.111 50 40 FEGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC)cc3)[C@H]2C1 20608742 JPLYJWOJPPJXTE-RBUKOAKNSA-N 359.433 2.440 50 40 FEGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2ccccc2N)cc1 101545040 HEXKFGLQIKZGIN-LPYMAVHISA-N 354.410 2.090 50 40 FEGB CC1(C)OC(=O)C(=C2[C@@H]3[C@H]4[C@H]5[C@@H]6C[C@@H]([C@@H]2[C@H]6[C@H]4Br)[C@@H]35)C(=O)O1 100012037 RJGIOBOOMIYNRD-JKYBSQNBSA-N 365.223 2.270 50 40 FEGB O=C(NNC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccc(O)cc1 12623468 IEIIDCIULMZJJI-UHFFFAOYSA-N 362.389 2.141 50 40 FEGB Cc1cccc(OCC(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 3353818 SKUGZJGGZKYIJC-UHFFFAOYSA-N 363.757 2.397 50 40 FEGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CN1CCCCC1 408998810 UZEBKLOQIZQXDA-CPNJWEJPSA-N 361.446 2.377 50 40 FEGB Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1633075 GQALNQDYFMCIPQ-KBPBESRZSA-N 360.757 2.013 50 40 FEGB CC(C)N1C[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCCCC3)CC1=O 46318678 RQGONRYBOTWUQE-ZDUSSCGKSA-N 363.483 2.035 50 40 FEGB O=C(CCC(=O)NNC(=S)Nc1ccccc1)NCc1ccccc1 1794698 NFXLALSNFKTRDB-UHFFFAOYSA-N 356.451 2.101 50 40 FEGB Cn1cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)c2ccccc21 4710286 WAEDZPPPYBMMNB-OSJDQPKOSA-N 360.417 2.158 50 40 FEGB CC(=O)NNC(=O)COC(=O)c1ccccc1Nc1cccc(C)c1C 7653924 SILUYRPDKCVFBN-UHFFFAOYSA-N 355.394 2.371 50 40 FEGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)NC(N)=O 409240033 PIRMJQKXJFCFHJ-DHDCSXOGSA-N 365.345 2.066 50 40 FEGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCC(N)=O 409216293 JVRWEVNOBMICNW-GDNBJRDFSA-N 365.389 2.495 50 40 FEGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1nn(C)c(C(F)(F)F)c1Cl 252506362 WAHDFXLTXOGZRK-JJPRUIFNSA-N 366.706 2.037 50 40 FEGB COc1ccc(/C(C)=N/NC(=O)CNC(=O)c2ccc(F)cc2)c(OC)c1 5024420 GWBXJYCXWJFTMY-WSDLNYQXSA-N 373.384 2.113 50 40 FEGB NNC(=O)c1cn(C(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc12 226368025 IUIDZIXZKDVAQJ-UHFFFAOYSA-N 358.741 2.495 50 40 FEGB COc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(C)cc2)c(OC)c1 15934078 XDYZUSAQCKRQGZ-UHFFFAOYSA-N 365.411 2.027 50 40 FEGB CC(C)OC(=O)COc1ccc(/C=N\NC(=O)c2ccccc2O)cc1 35178346 IDIBLDYOVKXDII-JAIQZWGSSA-N 356.378 2.487 50 40 FEGB NC(=O)c1cc2ccccc2o/c1=N/NC(=O)c1ccc2cccnc2c1 1889223394 YUFZKVLLUTVRDN-HIXSDJFHSA-N 358.357 2.326 50 40 FEGB COc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccc2ccccc12 4838903 LWNMVONZODBINU-UHFFFAOYSA-N 363.373 2.248 50 40 FEGB CCn1c(NNC(=O)c2cncn2-c2ccccc2)nc2ccccc2c1=O 10322811 BTFHLDLZZPPZJV-UHFFFAOYSA-N 374.404 2.359 50 40 FEGB COc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1OC 5047392 LBYFZHJHFLNHND-NGZBARDMSA-N 367.405 2.207 50 40 FEGB CCCCCCC(=O)NN/C(C)=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 9350179 ALAMJEGOCYFMSX-DTQAZKPQSA-N 372.425 2.135 50 40 FEGB CC1(C)OC(=O)C(=C2[C@@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3[C@H](Br)[C@H]6[C@H]25)C(=O)O1 169797351 RJGIOBOOMIYNRD-OIPMSDQTSA-N 365.223 2.270 50 40 FEGB NC(=O)COc1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1 28214839 AHDBKYRAZYAXCX-UDWIEESQSA-N 357.435 2.183 50 40 FEGB O=C(O)COc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1 7784996 OYWWKEKQYATAIY-DJKKODMXSA-N 362.769 2.333 50 40 FEGB COCCn1c(C)cc2c(c1=O)[C@@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 2214501 XJOMAANNUCWMLE-KRWDZBQOSA-N 367.405 2.030 50 40 FEGB COc1ccccc1OCC(=O)N/N=c1/c(=O)c2cccc3cccc1c32 3375271 WFBBHDNSGMTGIJ-BSYVCWPDSA-N 360.369 2.248 50 40 FEGB CCOc1c(Br)cc(C(=O)NNC(=O)C(C)C)cc1OC 14188734 SVEURIYGUAWRNW-UHFFFAOYSA-N 359.220 2.273 50 40 FEGB CCc1ccc(OCC(=O)NNC(=O)Cc2ccc(OC)c(OC)c2)cc1 22616781 OKCBBDBFRIRQKW-UHFFFAOYSA-N 372.421 2.035 50 40 FEGB Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1633078 DDCJOPUYZCIDQZ-ZIAGYGMSSA-N 360.757 2.013 50 40 FEGB CCOC(=O)COc1ccc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc1 6497421 IKLWDPPDVIVMHZ-FYJGNVAPSA-N 370.405 2.330 50 40 FEGB Cc1cccc(C)c1N1/C(=N\C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@@H]21 101310038 BEFIFTMSGVLPDG-CQXJFRPQSA-N 372.899 2.144 50 40 FEGB Cc1c(C(=O)NNS(=O)(=O)c2ccccc2C#N)oc2ccccc12 12994584 DUYFTXBONUEFPQ-UHFFFAOYSA-N 355.375 2.236 50 40 FEGB C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Cn1cnc2ccccc21 15497731 MQQMMYGYBUKXQV-LBPRGKRZSA-N 372.812 2.305 50 40 FEGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccc(C#N)cc1 15889941 CDDMVMDTDZLOCJ-UHFFFAOYSA-N 373.796 2.125 50 40 FEGB CN(C)N(C(=O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 8848369 ZULJIEPMCRYCSN-GFCCVEGCSA-N 351.255 2.099 50 40 FEGB CCOc1cc2c(cc1/C=N/NC(=O)COc1ccccc1OC)OCO2 409098000 JTTDSJGXKYNTQL-KEBDBYFISA-N 372.377 2.352 50 40 FEGB N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@@H]1c1ccc2c(c1)OCO2 759053 LSWJJRYNLXNMCZ-OAHLLOKOSA-N 359.345 2.419 50 40 FEGB COc1ccnc(NNC(=O)Cc2csc(Cc3ccccc3)n2)n1 25124249 NUFFCHJFPNMCJT-UHFFFAOYSA-N 355.423 2.218 50 40 FEGB O=C(CO)N/N=C/c1ccc(OCc2cccc(Br)c2)cc1 4525866 ZJACNDFNMIZUSL-GIJQJNRQSA-N 363.211 2.471 50 40 FEGB CC(/C=C/c1ccccc1)=N/NC(=O)CNC(=O)c1ccc2c(c1)OCO2 5005638 XAAMBDLSYIFFOG-ZTTTVGJDSA-N 365.389 2.351 50 40 FEGB Cc1ncc(NS(=O)(=O)c2ccc(NC(=O)CCl)cc2)c(C)n1 5729370 RBHOMTJDCPWGLE-UHFFFAOYSA-N 354.819 2.072 50 40 FEGB O=C(CSc1nnc(Cc2ccccc2)o1)NNC(=O)c1ccccc1 6543871 CHAFRHHEIWXGPG-UHFFFAOYSA-N 368.418 2.214 50 40 FEGB CNC(=O)NNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 56375803 AZTRZCHKUQOJFZ-UHFFFAOYSA-N 354.288 2.467 50 40 FEGB CC1=C(C(=O)OC(C)C)[C@@]2(C(=O)Nc3ccc(C)cc32)C(C#N)=C(N)O1 850920 DQEWAMMQHINHNX-IBGZPJMESA-N 353.378 2.135 50 40 FEGB CN(C)N(C(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 12696605 LFFXBDUWQHDACQ-SFHVURJKSA-N 358.463 2.460 50 40 FEGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1OCC(=O)O 408772725 QTUHASFSPXFWFC-NVNXTCNLSA-N 358.394 2.319 50 40 FEGB Cc1ccc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 409363969 MRKJQPGIFBCUPO-ODLFYWEKSA-N 355.350 2.367 50 40 FEGB COc1cccc(C(=O)N/N=C/c2cccc(OC)c2O[C@H](C)C(=O)O)c1 409244663 GZIOHNKCNBCBFZ-ZICWZVMQSA-N 372.377 2.320 50 40 FEGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2)cc1 21333769 NUALWJYJRGGEBO-CABCVRRESA-N 372.421 2.468 50 40 FEGB CCOC(=O)[C@@](O)(c1ccc(N(C)C(=O)CCl)cc1)C(F)(F)F 2311980 SYOJHSKPJGJNKT-ZDUSSCGKSA-N 353.724 2.201 50 40 FEGB CCn1c(C)cc2c(c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 2351212 OBKQMFXNSBEJSQ-OAHLLOKOSA-N 352.350 2.303 50 40 FEGB Cc1csc([C@@H]2C(=O)NC(SCC(N)=O)=C(C#N)C23CCCC3)n1 9498611 KQPDZEGKTURVJD-LBPRGKRZSA-N 362.480 2.179 50 40 FEGB O=C(Cc1c[nH]c2ccccc12)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 11566028 BDTTXSMHCZUJQT-UHFFFAOYSA-N 363.333 2.091 50 40 FEGB O=C(Cl)COCCOc1ccc(OCCOCC(=O)Cl)cc1 118086641 ZGSKJNUTFWBQLQ-UHFFFAOYSA-N 351.182 2.008 50 40 FEGB Cc1noc(C)c1CCC(=O)NNC(=O)CSc1ccccc1F 7520993 VQOZHIIXHBMFPR-UHFFFAOYSA-N 351.403 2.303 50 40 FEGB CCn1c(C)nc2cc(C(=O)NNC(=S)NCCCSC)ccc21 7522690 LATMABRJSLOUEX-UHFFFAOYSA-N 365.528 2.227 50 40 FEGB C[C@@H](Sc1nnc(-c2ccncc2)o1)C(=O)N/N=C/c1ccccc1O 16322183 NYPDOVDXHZLJMU-VURRPDKYSA-N 369.406 2.468 50 40 FEGB CCOC(=O)Cc1[nH]nc2c1[C@@H](c1cccc(F)c1F)C(C#N)=C(N)O2 803860 RVYPMHGXUXWTMQ-ZDUSSCGKSA-N 360.320 2.012 50 40 FEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccc(C)cc1 1433921 ZKVINSXYPLJHCP-VXLYETTFSA-N 373.365 2.450 50 40 FEGB COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)ccc1OCC(=O)O 20195105 BZFBZFDWOVTYTF-SRZZPIQSSA-N 370.405 2.468 50 40 FEGB O=C(CCN1CCN(c2ccccc2)CC1)N/N=C/c1ccccc1O 38160712 JHRSCHUNSHVTEG-LTGZKZEYSA-N 352.438 2.055 50 40 FEGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2cccs2)S(C)(=O)=O)c1 20208241 MDACIGIAANSCIX-LICLKQGHSA-N 365.480 2.281 50 40 FEGB O=C(NNC(=O)c1cccc(O)c1)Nc1cccc(Cn2cccn2)c1 95460854 ASINPLVHBTYWDD-UHFFFAOYSA-N 351.366 2.104 50 40 FEGB COc1cc(/C=N\NC(=O)COc2ccccc2OC)ccc1OCC#N 35786674 XRPKXBNKRJDXSL-MTJSOVHGSA-N 369.377 2.135 50 40 FEGB O=C(CCl)N(c1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 40177629 IPPQJNOWEXKSCJ-NSHDSACASA-N 355.765 2.464 50 40 FEGB COc1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1[N+](=O)[O-] 6186286 GOOQJDHJZOLUDP-VCHYOVAHSA-N 356.338 2.326 50 40 FEGB CC(C)=NNC(=O)Cc1c[nH]c2cccc(OC[C@@H](O)CNC(C)(C)C)c12 4190422 ISSNVTYNIXRNQJ-HNNXBMFYSA-N 374.485 2.350 50 40 FEGB O=C(CCl)N(c1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 40177565 QHXHEARNSBWKSK-NSHDSACASA-N 355.765 2.464 50 40 FEGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)NC1CCC(O)CC1 42962208 VQLGPZXHGRIREE-NVPAJSRCSA-N 371.437 2.241 50 40 FEGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1nc2ccccc2c(=O)[nH]1 6548856 ASAQKWPDXKURBY-QGMBQPNBSA-N 371.740 2.249 50 40 FEGB COc1cccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1O 8168722 JHGZLXAAIBUSBA-WVISFHDSSA-N 371.368 2.043 50 40 FEGB CC/C(=N\NC(=O)CSc1ncccn1)c1ccc2c(c1)OCCO2 12401994 GRTMWUSJNFXYIQ-DEDYPNTBSA-N 358.423 2.270 50 40 FEGB C=CCN1C(=O)[C@@]2(C(C#N)=C(N)OC(C)=C2C(=O)OCC)c2ccccc21 989375 NTSKFSUYRBOBBZ-HXUWFJFHSA-N 365.389 2.018 50 40 FEGB CCOC(=O)NNC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 36656047 LOPPEMSSAVMEFS-UHFFFAOYSA-N 357.395 2.387 50 40 FEGB CCOC(=O)[C@@](NC(=O)CCl)(Nc1ccccc1F)C(F)(F)F 2443982 BOYHSLAYCOPZML-LBPRGKRZSA-N 356.703 2.414 50 40 FEGB CCN(CC)c1ccc(C(=O)NNC(=O)c2n[nH]c3ccccc23)cc1 7946429 WQLDLWHTDUXGAY-UHFFFAOYSA-N 351.410 2.484 50 40 FEGB COc1ccc(/C=N/NC(=O)c2sc(NC(C)=O)c(C#N)c2C)cc1O 408721887 MLZQWYUYBPRUTR-UFWORHAWSA-N 372.406 2.365 50 40 FEGB C[C@@H]1CCC[C@H](N2C[C@@H](C(=O)NNC(=O)c3cccs3)CC2=O)[C@@H]1C 12617760 XNJHIJIQMFUKIO-MQYQWHSLSA-N 363.483 2.182 50 40 FEGB CCCCN1C(=O)/C(=N/NC(=O)[C@H](O)c2ccccc2)c2ccccc21 5850537 VZFKFHNLWBXRJB-DTBMRADHSA-N 351.406 2.387 50 40 FEGB COc1cc2c(cc1/C=N\NC(=O)CSc1nc(C)cc(C)n1)OCO2 409104718 FEQOYBZWJIIYIP-WSVATBPTSA-N 374.422 2.073 50 40 FEGB O=C(CCC(=O)NN=Cc1ccc(F)cc1)NN=Cc1ccc(F)cc1 254874084 CVHIHSLULJDBAM-UHFFFAOYSA-N 358.348 2.345 50 40 FEGB COc1ccc(-c2ccc(/C=N/NC(=O)c3nonc3N)o2)cc1Cl 5527230 LLYQYOVHTYHGAO-CNHKJKLMSA-N 361.745 2.338 50 40 FEGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccc(Cl)cc12 2056373 LIGYBOUOTIPVMV-SFHVURJKSA-N 371.780 2.257 50 40 FEGB O=C(NNC(=O)c1cc2c(s1)CCC2)c1cc(Br)c[nH]1 12994518 XAFFUBKKQGOSMN-UHFFFAOYSA-N 354.229 2.402 50 40 FEGB Cc1ccc(C(=O)NNC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)cc1 6510740 JHWBFUAYKPBEKK-OAHLLOKOSA-N 374.828 2.209 50 40 FEGB C/C(=N\NC(=O)c1ccncc1)c1cccc(NC(=O)c2ccnn2C)c1 20159519 FWNRLTYHZQBSSJ-YDZHTSKRSA-N 362.393 2.221 50 40 FEGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccncc2)c([N+](=O)[O-])c1 100510098 IQDVZNQMRCPGJZ-RGVLZGJSSA-N 371.353 2.133 50 40 FEGB CCOc1cc(/C=N/NC(=O)c2c(O)[nH]c3ccccc3c2=O)ccc1O 18116468 FMOVFZWZRFSGMP-KEBDBYFISA-N 367.361 2.102 50 40 FEGB Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)N/N=C/c1cccc(O)c1 5697823 AJGGIEYXBRPMSA-YBFXNURJSA-N 370.365 2.478 50 40 FEGB CCCOc1ccc(C(=O)NNS(=O)(=O)c2cccs2)cc1OC 7387612 OQFXNAYLDSOXHL-UHFFFAOYSA-N 370.452 2.169 50 40 FEGB Cc1ccc(C)c(OCC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c1C 5489275 VVCOLASTOPNRCP-RELWKKBWSA-N 351.406 2.488 50 40 FEGB O=C(NN1C(=O)[C@@H](Cl)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1O 1633506 WTESRMWBOCISMY-UONOGXRCSA-N 361.741 2.136 50 40 FEGB COc1ccc(-c2cc(C(=O)NN)nn2-c2cccc(C)c2)c(OC)c1 59472516 XLXJIQLJIGRDHK-UHFFFAOYSA-N 352.394 2.468 50 40 FEGB CC(=O)O[C@H](C(Cl)Cl)[C@@H]1O[C@@H](OC(C)=O)[C@H](C(Cl)Cl)O1 104210507 LUOZBBXRCMBWDB-FXUQCPSJSA-N 370.012 2.156 50 40 FEGB C[C@@]1(Br)[C@H](Br)CS(=O)(=O)[C@@H]1Br 100838147 PRHKXBMDBZJYQR-MROZADKFSA-N 370.888 2.053 50 40 FEGB C/C(=N\NC(=O)CSc1nc(C)[nH]c1[N+](=O)[O-])c1ccc(F)cc1 13142611 YUMMMYWSSXRWTG-QGMBQPNBSA-N 351.363 2.398 50 40 FEGB COc1cccc(C(=O)N/N=C/c2ccc(OC)c(OC)c2C(=O)O)c1 4897769 DJCOOQIIDGSVKY-VXLYETTFSA-N 358.350 2.175 50 40 FEGB COc1ccc(CC(=O)NNC(=S)NCCCc2ccccc2)cc1 408585063 BOLVLYWKPBVPEB-UHFFFAOYSA-N 357.479 2.366 50 40 FEGB COc1ccc(CC(=O)N/N=C/c2ccc(O[C@H](C)C(=O)O)cc2)cc1 408949902 SPWBBXNNOXLIDY-HMHKGCENSA-N 356.378 2.240 50 40 FEGB Cc1c(/C=N\NC(=O)Cn2nnc(-c3ccccc3)n2)c2ccccc2n1C 4702507 XHJUVJHDPVTTEX-MTJSOVHGSA-N 373.420 2.291 50 40 FEGB CNC(=O)NNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 89391651 JHQYCLVPVVKMIC-UHFFFAOYSA-N 368.224 2.242 50 40 FEGB CCOC(=O)N/N=C(/C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 48235870 ZJHUPMDYIIDOQQ-PDGQHHTCSA-N 365.411 2.228 50 40 FEGB Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccco3)s2)cc1 825482 QBQMRHWVOQBLRK-VCHYOVAHSA-N 369.406 2.385 50 40 FEGB C/C(=N\NC(=O)CNC(=O)c1cccc(F)c1)c1ccc(N(C)C)cc1 14920204 WSMWYJLMAJUCEC-LPYMAVHISA-N 356.401 2.162 50 40 FEGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2OC)c1 59433967 FFMOLYYLUNQRCD-RGVLZGJSSA-N 371.393 2.110 50 40 FEGB Cc1cc(C)nc(NNC(=O)[C@H](c2ccccc2)N2CCSCC2)n1 58244234 UBGMGZJATRXNLX-INIZCTEOSA-N 357.483 2.327 50 40 FEGB N[C@H](CC1=CN[C@H]2C=CC=C[C@H]12)C(=O)N/N=C/c1cccc2cccnc12 6780236 WJMXLVOIOVVTSF-VPZQWBHISA-N 359.433 2.000 50 40 FEGB COc1ccc2c(c1OC)C(=O)O[C@H]2C/C(=N/NC(N)=O)c1ccccc1 1469167 VUKDHTGMLJKTDW-MNAFEPAFSA-N 369.377 2.378 50 40 FEGB Cc1ccc(N2C(=O)N=C(O)/C(=C\NNC(=O)c3ccccc3)C2=O)cc1 16995384 GPMYKDNCPJEGBS-RVDMUPIBSA-N 364.361 2.237 50 40 FEGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(N)=O)c2C)cc1 5279857 KVONRKPIDPRXEH-KNGSKEOJSA-N 367.405 2.427 50 40 FEGB CCCCCCN1C(=O)N=C(O)/C(=C/NNC(=O)c2ccccc2)C1=O 6782981 LFLLVONQUQEFHM-OWBHPGMISA-N 358.398 2.304 50 40 FEGB COc1cc(/C=N/NC(=O)c2c(C)nc3sccn23)cc(OC)c1OC 32127108 UZVRCSHDYZILHY-GIJQJNRQSA-N 374.422 2.494 50 40 FEGB Cn1/c(=N\NC(=O)COc2ccccc2[N+](=O)[O-])sc2ccccc21 140061754 KGHUFFOFJIILOU-FBMGVBCBSA-N 358.379 2.159 50 40 FEGB CNC(=O)/C(C#N)=C/c1c(Oc2ccccc2)nc2c(C)cccn2c1=O 2333183 KVSAFFNSASVHGJ-SDNWHVSQSA-N 360.373 2.448 50 40 FEGB COc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 2371910 DXHKTCXVGQLLAW-VPNURPJOSA-N 355.369 2.338 50 40 FEGB CCCCOc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 4651636 PYGNXAANFMXGPR-WTTBNOFXSA-N 372.421 2.149 50 40 FEGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)Oc2ccccc2)cc1 21333781 NUALWJYJRGGEBO-LSDHHAIUSA-N 372.421 2.468 50 40 FEGB O=C(NCc1ccncc1)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 59459551 LRHATUYVXDNPQA-AWQFTUOYSA-N 351.193 2.155 50 40 FEGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2cccs2)cc1 5873475 AMUAJORBLMZWII-UHFFFAOYSA-N 361.423 2.327 50 40 FEGB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)C2CCCCC2)c1C 15244350 LWPVKISGUHLDHR-UHFFFAOYSA-N 355.416 2.101 50 40 FEGB CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccncc2)cc1 408989459 HTULHHVQTBDCJR-CIAFOILYSA-N 354.410 2.139 50 40 FEGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(N)=O)cc2)cc1 408759474 FQPCHTLBENRJBM-GXDHUFHOSA-N 351.362 2.105 50 40 FEGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100840606 GZOTXZZFRXOGEB-OVCLIPMQSA-N 359.254 2.175 50 40 FEGB COc1cc(OC)cc(C(=O)NNC(=O)CSc2ccccc2F)c1 13140884 LUZKCMYUMWDFAD-UHFFFAOYSA-N 364.398 2.396 50 40 FEGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1noc2ccccc12 8029988 ABVZIUJFFZIUMD-NSHDSACASA-N 357.341 2.124 50 40 FEGB Cc1ccc(-n2c(SC=C(C#N)C#N)nnc2N2CCOCC2)cc1 72307089 SJGHOQUAZJNSEP-UHFFFAOYSA-N 352.423 2.435 50 40 FEGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)NC(N)=O 409229042 IUQMAIYYMSGIPV-UITAMQMPSA-N 359.725 2.400 50 40 FEGB COc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1Br 1090937 CVXBAZFLWBJVNU-CXUHLZMHSA-N 357.204 2.061 50 40 FEGB COc1ccc(CCNCCC(=O)N/N=C/c2ccccc2O)cc1OC 18192336 TYRKYXLBYGTXRP-HYARGMPZSA-N 371.437 2.082 50 40 FEGB CCc1ccccc1N1C(=O)C[C@@H](NNC(=O)c2ccccc2Cl)C1=O 100118506 DBJQMTGXTALDCG-OAHLLOKOSA-N 371.824 2.469 50 40 FEGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc(Cl)c1O 409169531 QMRUWXJTOGSBEO-DJKKODMXSA-N 361.785 2.451 50 40 FEGB Cn1ncc(Br)c1C(=O)N/N=C/c1cn[nH]c1-c1ccccc1 5594648 AUEPHHRWKLUDLZ-QGMBQPNBSA-N 373.214 2.337 50 40 FEGB COc1ccccc1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408687775 VCFRAGAAYUDPOG-IZIREBJPSA-N 366.211 2.205 50 40 FEGB CC(=O)C1=C(O)C(=O)N(CCBr)[C@H]1c1cccc([N+](=O)[O-])c1 5155650 CERRGBJQNKQCSJ-LBPRGKRZSA-N 369.171 2.274 50 40 FEGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc1 3092207 ZSVHDYCYPKYARZ-RGVLZGJSSA-N 353.378 2.179 50 40 FEGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2OC)c1 59433898 JKWVLBJNFWKHGS-VXLYETTFSA-N 361.785 2.446 50 40 FEGB CC(C)CNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1 59515495 IORIPWKCCKCSQD-LPYMAVHISA-N 353.422 2.488 50 40 FEGB CCCc1cc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cs1 17072717 OELIUHSQZBEFSD-OAACRXHESA-N 350.440 2.209 50 40 FEGB C[C@@H]1CCc2c(C(=O)NNC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)csc2C1 102207203 CJLURVPBDUPPMU-OWWRBYITSA-N 374.462 2.157 50 40 FEGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OC)c(OC)c2OC)c1 6685714 MVTLOEGNSOAMRG-RGVLZGJSSA-N 374.393 2.494 50 40 FEGB CN1/C(=C\C=N\NC(=O)CCN2CCOCC2)C(C)(C)c2ccccc21 25315557 IUPYGAZBJGGUHJ-VFHTVBRESA-N 356.470 2.122 50 40 FEGB N[C@H](CC1=CN[C@H]2C=CC=C[C@@H]12)C(=O)N/N=C/c1cccc2cccnc12 6780237 WJMXLVOIOVVTSF-YDLBLQFHSA-N 359.433 2.000 50 40 FEGB COC(=O)NNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 8993967 CAHMKPBKCFIPMK-UHFFFAOYSA-N 361.423 2.253 50 40 FEGB CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@H]2c2ccccc2O)cc1 5663501 KOORPEXWDFHDOD-JKSUJKDBSA-N 373.796 2.186 50 40 FEGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 3092269 BYEDKQUNDSELHG-WOJGMQOQSA-N 356.338 2.082 50 40 FEGB O=C(/C=C/c1ccco1)NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1 5033163 CLUYBSMHTHTCPR-PQAPVRDISA-N 355.419 2.118 50 40 FEGB CCCN1C(=O)/C(=N\NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 5643727 CZEJJDJIJILETP-FQMKLWGBSA-N 365.389 2.104 50 40 FEGB COCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccc(C)cc2)c1C 408896758 ZURRXRFOGFQKTG-XKZIYDEJSA-N 370.453 2.005 50 40 FEGB CCS(=O)(=O)[C@H](I)[C@H](O)c1ccc(C)cc1 96519264 UPWVKLMVQBXKPJ-MNOVXSKESA-N 354.209 2.224 50 40 FEGB NC(=O)COc1cccc(/C=N/NC(=O)c2ccc(-n3cccc3)cc2)c1 2378076 POHFOKYIFJGGSS-LPYMAVHISA-N 362.389 2.105 50 40 FEGB CC(=O)NNc1nc(C)c(C(/C=C/c2ccc([N+](=O)[O-])cc2)=N/N)s1 16958127 IQHTWDZGXYNLKW-XKKIXLAPSA-N 360.399 2.199 50 40 FEGB O=C(NNC(=O)c1cccs1)c1ccc(I)cc1 721874 JVUBSMBVTFBQNC-UHFFFAOYSA-N 372.187 2.428 50 40 FEGB Cc1cccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1C 101310789 POSXTOUPICSARA-LTUGMUNRSA-N 372.899 2.144 50 40 FEGB CCOC(=O)COc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1 408566537 HNBCFIZIENLIQW-ODLFYWEKSA-N 371.349 2.301 50 40 FEGB N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)N[C@@H]1CCS(=O)(=O)C1 16791008 PGDXPRGEZDDUAZ-UZGISAJGSA-N 374.393 2.296 50 40 FEGB C/C(=N\NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccccc1O 20064297 GMEAKCXLXHLFNC-RCCKNPSSSA-N 353.422 2.378 50 40 FEGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2cnccn2)cc1Cl 100814536 HDQFWMQSAQKBKI-UFFVCSGVSA-N 361.789 2.273 50 40 FEGB CC(C)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 7428730 PDQKINDGZUCKJH-UHFFFAOYSA-N 362.407 2.162 50 40 FEGB CC(C)NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCC(=O)O 408772524 MPIFZUGCPQWVDA-WZUFQYTHSA-N 367.199 2.344 50 40 FEGB Cc1cc(/C=N/NC(=O)C(N)=O)c(C)n1-c1cc(Cl)ccc1Cl 408938211 KZVQRXJKZXJNCF-FBCYGCLPSA-N 353.209 2.336 50 40 FEGB CCN(CC)c1ccc(/C=N\NC(=O)C(=O)NCCc2ccccc2)cc1 223163523 YGOSARUWSUQYTN-KQWNVCNZSA-N 366.465 2.342 50 40 FEGB CN(C)c1ccc(/C=N/NC(=O)c2nn(C)cc2Br)cc1 1088980 VLIPNDKOWHWSEH-LZYBPNLTSA-N 350.220 2.013 50 40 FEGB C/C(=N\NC(N)=O)c1ccc(N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)cc1 103722958 OKZPTHMEONFRHS-YCBOFAAOSA-N 360.801 2.101 50 40 FEGB O=C(NNC(=O)c1ccccc1Br)c1cccc([N+](=O)[O-])c1 3021035 JUMHKIXNBWTTFJ-UHFFFAOYSA-N 364.155 2.432 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] 59459757 RXTYSQWUVKEBFX-VCHYOVAHSA-N 356.338 2.001 50 40 FEGB CC(C)NC(=O)/C(C#N)=C\c1ccc(O)c(I)c1 101395946 SUVPASNJHQSBKC-YHYXMXQVSA-N 356.163 2.428 50 40 FEGB Cc1[nH]c2ccc(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2c1C 12991866 BBIGGWAYFBPTQW-GOSISDBHSA-N 365.389 2.386 50 40 FEGB CCOc1ccc(NCC(=O)NNC(=S)NCc2ccccc2)cc1 4959745 YVTMYTAJPSUWIC-UHFFFAOYSA-N 358.467 2.193 50 40 FEGB Cc1ccccc1/C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1 19826208 JYEYXCGQXCYDAQ-JCMHNJIXSA-N 350.466 2.263 50 40 FEGB CCOC(=O)c1csc(N(NC(C)=O)C(=O)NC2CCCCC2)n1 1415208 ABUWCQUZFWVHFI-UHFFFAOYSA-N 354.432 2.220 50 40 FEGB O=C(COc1cccc2ccccc12)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 17075856 YSQDSKJOTQOSOT-HZPDHXFCSA-N 370.405 2.257 50 40 FEGB C[C@@H](C(=O)NNC(=O)Cc1ccc(Cl)cc1)n1c(=O)oc2ccccc21 14325730 CZBOYEMELXIXST-NSHDSACASA-N 373.796 2.199 50 40 FEGB NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 34725761 HMMHPDRILXQERM-UHFFFAOYSA-N 360.826 2.121 50 40 FEGB Cc1ccc(C(=O)n2c(C)c(C(=O)NN)c3ccccc32)cc1[N+](=O)[O-] 216960124 OCUARTUJXDJJKZ-UHFFFAOYSA-N 352.350 2.458 50 40 FEGB CCc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccs3)CC2=O)cc1 17258338 XOTXQBZIOKHCKE-ZDUSSCGKSA-N 357.435 2.125 50 40 FEGB Cc1cc2nc(C)c(CCC(=O)NNC(=O)c3ccccc3)c(C)n2n1 13006607 JEIBRTYCLWKACB-UHFFFAOYSA-N 351.410 2.048 50 40 FEGB CCOc1ccc(C(=O)NN[C@H](C(=O)OC)c2ccccc2)cc1OC 14227042 HZIYQKVINCEXLV-KRWDZBQOSA-N 358.394 2.243 50 40 FEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)Cc1ccc(F)cc1 409228126 UKWJUVRXLVQAKN-GRSHGNNSSA-N 361.329 2.444 50 40 FEGB COc1ccc(CCn2c(CCl)cnc2S(C)(=O)=O)cc1OC 47219283 TYVQQAOZXIKAQF-UHFFFAOYSA-N 358.847 2.285 50 40 FEGB O=C(CCCSSc1ccc([N+](=O)[O-])cn1)ON1C(=O)CCC1=O 101782273 WAXTZXRJMOUNSA-UHFFFAOYSA-N 371.396 2.118 50 40 FEGB O=C(N/N=C\CCc1ccccc1)C(=O)N/N=C/CCc1ccccc1 17314432 QTODSEHFGCCUFW-KBNZVFGVSA-N 350.422 2.456 50 40 FEGB COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1OC 809411 KDXABMJZYGSQHY-MRXNPFEDSA-N 370.361 2.192 50 40 FEGB CCc1cc(C(=O)NNC(=O)CSc2nc(C(C)C)n[nH]2)sc1C 12684486 WFPKISSAGGSKFH-UHFFFAOYSA-N 367.500 2.414 50 40 FEGB COc1ccc([C@@H]2C(C#N)=C(S)N[C@@](C)(O)[C@H]2[n+]2ccccc2)cc1 2229715 KXEKURHMFVUHNN-AOIWGVFYSA-O 354.455 2.284 50 40 FEGB CC[C@H](C)Oc1ccccc1/C=N/NC(=O)Cn1c([N+](=O)[O-])cnc1C 408602445 NYTOXLHWGFCFDU-BFNDQCEFSA-N 359.386 2.427 50 40 FEGB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccccc1O 8735516 UEHMYJVRCREWQE-SNVBAGLBSA-N 361.379 2.242 50 40 FEGB Cc1ccccc1-n1nc(C(=O)N/N=C\c2ccccc2)c(C)c(C#N)c1=O 409058489 OZIHLVAGRJQKQC-QRVIBDJDSA-N 371.400 2.485 50 40 FEGB O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@H]1CCc2cn[nH]c2C1 72302664 WEPNCABGTURAIL-JTQLQIEISA-N 364.858 2.108 50 40 FEGB Cc1cccc(C(=O)NN[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)c1 857233 SEMUVSDFMYHXIE-HNNXBMFYSA-N 357.797 2.215 50 40 FEGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)cc2)cc1 408818098 ZGBSCRHEHWAIOF-YBEGLDIGSA-N 366.373 2.382 50 40 FEGB CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCC(N)=O 408978121 KQHQRYRVALMACL-OVCLIPMQSA-N 368.393 2.010 50 40 FEGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2)cc1 5481552 XZYDJSXJCJWJEA-UHFFFAOYSA-N 369.421 2.149 50 40 FEGB CCc1ccc(OCC(=O)NNC(=O)COc2ccc3c(c2)CCC3)cc1 16506582 ATLMDJCAUOSUHK-UHFFFAOYSA-N 368.433 2.343 50 40 FEGB COc1ccc(N2N=C(C)/C(=C(\C)NNC(=O)c3ccncc3)C2=O)cc1 103916790 ZXPYMOGCYKPFIG-ATVHPVEESA-N 365.393 2.021 50 40 FEGB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)CC(C)C 103916781 VIIWJXTUAPLYQT-WJDWOHSUSA-N 359.386 2.258 50 40 FEGB O=C(CSc1nc2ccccc2o1)N/N=C1/C(=O)Nc2ccccc21 17917262 UVWLXCXXUOBTAS-UHFFFAOYSA-N 352.375 2.393 50 40 FEGB CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1cccs1 22001900 FJILUTIIONYDIP-AWEZNQCLSA-N 363.464 2.226 50 40 FEGB CSc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@H]3c1ccncc1 15085511 FIMCTZZKTFZHIR-SECBINFHSA-N 369.431 2.320 50 40 FEGB COc1ccc2nc(C(=O)NNC(=O)c3ccc4c(c3)OCO4)ccc2c1 12600313 OGDCUJPVNUQXDE-UHFFFAOYSA-N 365.345 2.047 50 40 FEGB Cc1c(C(=O)N/N=C\c2ccccc2)nn(-c2ccccc2)c(=O)c1C#N 409056132 MOGJHZOHBRTALC-XKZIYDEJSA-N 357.373 2.177 50 40 FEGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(C)(=O)=O)cc1 409027404 DAIXQKYKWSHCQF-DEDYPNTBSA-N 373.478 2.474 50 40 FEGB CCOc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)ccc1O 408972892 HLATWWZTSVZJNZ-QPSGOUHRSA-N 371.422 2.450 50 40 FEGB CS(=O)(=O)[C@H](Br)[C@H](O)c1ccc(Br)cc1 96518992 IEFNYPMLESCPFB-BDAKNGLRSA-N 358.051 2.248 50 40 FEGB O=C(N/N=C1\C(O)=Nc2c(Br)cc(F)cc21)[C@@H]1CCCO1 43970978 FCZOOYALPURWBJ-VIFPVBQESA-N 356.151 2.189 50 40 FEGB C=CCOc1ccccc1C(=O)NNC(=O)CN1CCCc2ccccc21 30598724 LSOZPAVLGJMNAQ-UHFFFAOYSA-N 365.433 2.465 50 40 FEGB Cc1cc(C)nc(NNC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)n1 22233439 DRNKCPWITYVSTG-MRXNPFEDSA-N 355.442 2.300 50 40 FEGB O=C(NNC(=O)c1cccc(I)c1)c1ccccc1 668362 GZMFDUYTRMZWEB-UHFFFAOYSA-N 366.158 2.366 50 40 FEGB Cn1cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c2ccccc21 19869130 WAEDZPPPYBMMNB-KASUDUOZSA-N 360.417 2.158 50 40 FEGB Cc1occc1C(=O)NNC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 40023838 HBCAQAFUECDKLJ-CQSZACIVSA-N 370.409 2.293 50 40 FEGB O=C(N/N=C/c1c[nH]c2ccccc12)[C@@H]1CCCN(C(=O)C(F)(F)F)C1 18192682 CPLGQBSNVNMXPB-LCRYFQBLSA-N 366.343 2.419 50 40 FEGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c1 3092247 REIBAJLXRQKYMS-DZUMZMOTSA-N 355.394 2.031 50 40 FEGB CCn1c(NNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc2c1=O 11157385 GGSNQVCRBKVFKY-UHFFFAOYSA-N 368.393 2.191 50 40 FEGB O=C(CCNC(=O)c1ccccc1)N/N=C/c1ccc(Br)o1 2675772 HAOUKDMLBOVJPD-VCHYOVAHSA-N 364.199 2.312 50 40 FEGB Cc1ccc(S(=O)(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1C 7383659 PCEXGIAUSNAALH-ZDUSSCGKSA-N 366.414 2.220 50 40 FEGB O=C(NNC(=S)NC(=O)c1cccc(Cl)c1Cl)c1ccncc1 32118667 MWLPSSODXOHQMA-UHFFFAOYSA-N 369.233 2.338 50 40 FEGB CCS(=O)(=O)[C@H](I)C(=O)c1ccccc1C 96517967 FPVPFJWLIGGWHD-NSHDSACASA-N 352.193 2.374 50 40 FEGB COc1ccc(/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 16806511 UMTVRBQFTPSKEQ-BOPFTXTBSA-N 368.389 2.241 50 40 FEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccccc1 7882251 RBWMFUDITIKAEC-CYBMUJFWSA-N 357.797 2.154 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1O[C@H](C)C(=O)O 409021230 ZHXCDXOUVPJGBU-ZICWZVMQSA-N 372.377 2.320 50 40 FEGB O=C(NNC(=O)c1nn(-c2ccc(Cl)cc2)cc1O)c1ccccc1F 6510543 NSIOQMKUHTYPIG-UHFFFAOYSA-N 374.759 2.445 50 40 FEGB O=C(NNC(=S)NCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 408588043 WMIRDIIQLCMPEZ-UHFFFAOYSA-N 358.423 2.337 50 40 FEGB O=C1C[C@@]2(CC=CCC23OCCO3)C[C@@H](CI)O1 1585684 AFIRANYOSGVOKM-CMPLNLGQSA-N 364.179 2.207 50 40 FEGB biogenic COc1cccc2cc(C(=O)NNC(=O)c3ccc(C)cc3)c(=O)oc12 4263315 UOAPXTDBULRRCO-UHFFFAOYSA-N 352.346 2.185 50 40 FEGB Cc1nn(C)c(C)c1CC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 9882897 SJNQJBCOMQCRBM-SNVBAGLBSA-N 360.483 2.227 50 40 FEGB Cc1ccc(/C=N\NC(=O)CNC(=O)c2ccccc2Br)o1 36067251 APJBTXZTHLEWTN-LSCVHKIXSA-N 364.199 2.231 50 40 FEGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(OC(C)C)cc2)s1 12805005 OYYCSYGPXIXYAE-UHFFFAOYSA-N 354.453 2.467 50 40 FEGB C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 4860551 OWTAEOJBWRXLRX-YZJQUUSSSA-N 354.362 2.159 50 40 FEGB Cc1cc(Cl)ccc1N(CC(=O)NN=C1CCCC1)S(C)(=O)=O 408791212 XFPYGUZGLRERHM-UHFFFAOYSA-N 357.863 2.461 50 40 FEGB COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCC#N 6563035 RMJOJTZGCXYZSG-CIAFOILYSA-N 366.377 2.320 50 40 FEGB O=C(N/N=C/c1ccc(Br)cc1)C(=O)NC1CCCCC1 59386578 VZQGRNZZPURPJJ-LICLKQGHSA-N 352.232 2.348 50 40 FEGB Cc1ccc(NCC(=O)NNC(=O)Cc2c(C)nn(CC(C)C)c2C)cc1 12633996 YEQPDYBJHJYZNQ-UHFFFAOYSA-N 371.485 2.266 50 40 FEGB Cc1cc(/C=C(C#N)/C(O)=N/S(C)(=O)=O)c(C)n1C[C@H]1CCCO1 48479521 OJEJEWBSHKUTIQ-UJMHRVFCSA-N 351.428 2.107 50 40 FEGB N#C/C(=C\c1cccc(OCC(=O)O)c1)C(=O)NCCc1ccccc1 408804221 DJBHUCPFLBOVIB-GZTJUZNOSA-N 350.374 2.416 50 40 FEGB COC(=O)COc1ccc(/C=N/NC(=O)c2c(C)nc3sccn23)cc1 408996352 HSGANNDYAARVRQ-GIJQJNRQSA-N 372.406 2.020 50 40 FEGB COCCCNC(=O)C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 58914369 BMBQCJHVMWFRCS-JAIQZWGSSA-N 363.801 2.203 50 40 FEGB O=C(CNc1ccccc1)NNC(=O)c1cc(Br)ccc1F 12521854 HDLYMTLPWPAOAI-UHFFFAOYSA-N 366.190 2.461 50 40 FEGB COC(=O)c1c(NC(=S)NNC(=O)c2ccccn2)sc(C)c1C 17074908 PMBKOFWNSWPOSN-UHFFFAOYSA-N 364.452 2.178 50 40 FEGB CCCCC(=O)NN/C=C1/C(=O)N(c2ccc(C)cc2)C(=S)N=C1O 4812022 OXEVGDRUTROIRR-JLHYYAGUSA-N 360.439 2.278 50 40 FEGB COc1ccc(Cl)cc1C(=O)NNC(=O)COc1ccc(C#N)cc1 2628504 VNTHYMLMRSOQGY-UHFFFAOYSA-N 359.769 2.060 50 40 FEGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(N)=O)cc1 408754350 JWBOLOVBPKUQDR-GDNBJRDFSA-N 363.373 2.299 50 40 FEGB Cc1cc(C)cc(OCC(=O)NN[C@@H](C(=O)NC2CC2)c2ccccc2)c1 15473513 YMZGKWVREFAJQB-HXUWFJFHSA-N 367.449 2.323 50 40 FEGB C/C(=N\NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(F)cc1 409117472 OPWSVZHRJZQAMJ-XDHOZWIPSA-N 363.414 2.376 50 40 FEGB Cc1ccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c(C)c1 9582580 YQPAMUJOTHCUSJ-UHFFFAOYSA-N 350.378 2.270 50 40 FEGB COc1cccc(CC(=O)N/N=C\c2ccc(N3CCOCC3)cc2)c1 409095217 GXBVLYJCVCYQET-QNGOZBTKSA-N 353.422 2.225 50 40 FEGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1 409353439 KYXVJGDMGLRRJL-KEBDBYFISA-N 370.361 2.121 50 40 FEGB CC[C@H](C(=O)N/N=C/c1cnn(CC)c1F)n1cc(Br)cn1 252503274 VANZJNGKABHGQK-KDCOTVSISA-N 371.214 2.103 50 40 FEGB O=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccc2ccccc2n1 21008145 MEVKTDNVDYGRSG-UHFFFAOYSA-N 359.341 2.416 50 40 FEGB O=C(NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cccc(F)c1 5031161 SJVDXPHROZMURO-CABCVRRESA-N 357.410 2.265 50 40 FEGB CC(=O)c1ccc(OCCCC(=O)NNC(=O)c2ccc(O)cc2)cc1 8393201 DYUHSJLMHKJXCW-UHFFFAOYSA-N 356.378 2.215 50 40 FEGB CC1CCC(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)CC1 408676119 ABICNYHVWVXPPS-UMRJSESNSA-N 356.260 2.252 50 40 FEGB COc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(F)cc3)CC2=O)cc1 33323180 NROWJFMZMXREJN-WHJAWBAWSA-N 355.369 2.338 50 40 FEGB O=C(N/N=C/c1ccc(O)cc1)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 1086919 KBJLWYKKHAXSDC-YBFXNURJSA-N 365.349 2.309 50 40 FEGB CC1=C(C)C[C@@H](C(=O)NNC(=O)[C@@H](C)Oc2ccc(C)cc2)[C@@H](C(=O)O)C1 6845662 RBYRTEQNZYTXLD-OIISXLGYSA-N 374.437 2.357 50 40 FEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1OC 7869814 MUEMVTRXTBPCMQ-CIAFOILYSA-N 371.368 2.488 50 40 FEGB Cc1c(C)n2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1CCCl 10104431 MTGHIQIMXKCPQT-UHFFFAOYSA-N 365.865 2.051 50 40 FEGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)cc([N+](=O)[O-])c1O 36020520 VLVODWAVYGSTPR-DJKKODMXSA-N 373.365 2.455 50 40 FEGB N#C/C(=C\c1ccc(OCC(N)=O)c(Cl)c1)C(=O)Nc1ccc(O)cc1 409222135 ACLICULGVNUJLA-KPKJPENVSA-N 371.780 2.455 50 40 FEGB COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nncn1C 2376021 WAQZFCQPDMEUIR-GIJQJNRQSA-N 355.423 2.219 50 40 FEGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 5724977 UAXJSOPBICLVNG-UHFFFAOYSA-N 363.757 2.397 50 40 FEGB C/C(=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccc(C)cc1 19954017 FLUIOCGVIRUMTQ-XDJHFCHBSA-N 359.451 2.301 50 40 FEGB O=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1noc(CCl)n1 57509274 WBMRAQWGJDRTBC-UHFFFAOYSA-N 359.748 2.472 50 40 FEGB Cc1cccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)c1C 101310780 POSXTOUPICSARA-BLCHQYFCSA-N 372.899 2.144 50 40 FEGB CCCN(C)c1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 63890577 WZOYWVLXPGLXRH-SFHVURJKSA-N 369.421 2.134 50 40 FEGB COc1ccc(SCC(=O)NNC(=S)NCc2ccccc2)cc1 22891213 PQDWSNYSFISRRJ-UHFFFAOYSA-N 361.492 2.483 50 40 FEGB CC1(C)OC(=O)C(=C2[C@@H]3[C@H]4[C@H](Br)[C@H]5[C@H]2[C@H]2C[C@@H]5[C@@H]4[C@H]32)C(=O)O1 169797356 RJGIOBOOMIYNRD-AWBQAWNOSA-N 365.223 2.270 50 40 FEGB N#CC(C(=O)CN1CCN(Cc2ccco2)CC1)=C1Nc2ccccc2N1 23249122 QKZLMCLSOHFLQF-UHFFFAOYSA-N 363.421 2.239 50 40 FEGB O=C(CSCc1ccc(F)cc1)NNC(=O)c1ccc2c(c1)OCO2 14251673 QJWLTWQMINVJKM-UHFFFAOYSA-N 362.382 2.249 50 40 FEGB CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2OC)c1 8160121 QQDXVYIJFLPHRQ-UHFFFAOYSA-N 373.434 2.043 50 40 FEGB Cc1ccc(C(=O)NN(CCC#N)C2=NS(=O)(=O)c3ccccc32)cc1 4537279 FXJREESNYLUPPJ-UHFFFAOYSA-N 368.418 2.005 50 40 FEGB O=C(CCCCl)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 3293364 RPGHLIKOXZHPIA-UHFFFAOYSA-N 365.282 2.192 50 40 FEGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(CN2CCOCC2)cc1 20064281 AUPQOQWMNWCHGY-DEDYPNTBSA-N 368.393 2.191 50 40 FEGB N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)NC(N)=O 409250181 WIZPCZYFHKQQCG-ZSOIEALJSA-N 366.333 2.276 50 40 FEGB O=C(NNC(=O)c1cnn(Cc2ccccc2Cl)c1)c1cccc(O)c1 8935381 KKNSEAHWAGDUMR-UHFFFAOYSA-N 370.796 2.365 50 40 FEGB COc1ccc(OCC(=O)N/N=C\c2ccc(O[C@@H](C)C(=O)O)cc2)cc1 408850635 PXZVTVLKKXYYGR-GHOUAXAESA-N 372.377 2.076 50 40 FEGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1cccc([N+](=O)[O-])c1 12371067 PVNMBJHDSFSXAO-RQZCQDPDSA-N 374.309 2.041 50 40 FEGB Cc1ccc(N(CC(=O)N/N=C/c2cccs2)S(C)(=O)=O)c(C)c1 20208063 NZTLYLGGRJHRCM-LICLKQGHSA-N 365.480 2.281 50 40 FEGB COc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 409144069 PENWWGLMZAHOOG-FYJGNVAPSA-N 357.385 2.435 50 40 FEGB COc1ccc(CC(=O)N/N=C/c2cccc3c2OCCO3)cc1OC 8163990 DFVKZFJGSUVPQT-UDWIEESQSA-N 356.378 2.168 50 40 FEGB COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2cc(O)ccc2O)cc1 5634352 BMHHFLOCHXEQKF-JMIUGGIZSA-N 352.350 2.260 50 40 FEGB CCOC(=O)c1nn(-c2ccccc2)cc1/C=C(/C#N)C(=O)NC1CC1 40146081 XQCNEEYULAAEFT-RAXLEYEMSA-N 350.378 2.235 50 40 FEGB COc1ccc(O)c(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c1 1435058 RGZJAYWHYAJAIC-GIJQJNRQSA-N 359.338 2.147 50 40 FEGB Cc1ccc(N(CC(=O)N/N=C/c2ccco2)S(C)(=O)=O)cc1Cl 408773118 PFBPLAPQXYZOGI-RQZCQDPDSA-N 369.830 2.158 50 40 FEGB N#CC1=C([C@@H](C#N)c2nc3ccccc3s2)NC(N)=C(C(N)=S)C1 103556178 ADEXDTRXQGXURP-SNVBAGLBSA-N 352.448 2.131 50 40 FEGB Cn1cc(C(=O)NNC(=O)c2cccc(C[S@@](C)=O)c2)c2ccccc21 25962998 MSEIENZDWONIDL-SANMLTNESA-N 369.446 2.132 50 40 FEGB COc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc(OC)c1OC 409205345 HKLSOBRCKRVURF-VRCTWVPOSA-N 353.378 2.470 50 40 FEGB CCNC(=S)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12 13684879 PYQHFPSJUYBZLZ-UHFFFAOYSA-N 351.435 2.426 50 40 FEGB Cc1ccc(C(=O)NNC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)cc1 6510739 JHWBFUAYKPBEKK-HNNXBMFYSA-N 374.828 2.209 50 40 FEGB COc1ccc(/C(C)=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 409174768 UTRVEDAUHUAERM-YBFXNURJSA-N 371.349 2.415 50 40 FEGB CS(=O)(=O)[C@@H](I)[C@@H](O)c1cccc(Cl)c1 96519159 SXFHGTUMENIBMX-DTWKUNHWSA-N 360.600 2.179 50 40 FEGB CCS(=O)(=O)[C@H](I)[C@@H](O)c1ccc(C)cc1 96519266 UPWVKLMVQBXKPJ-QWRGUYRKSA-N 354.209 2.224 50 40 FEGB CCOc1ccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 3109124 RGYUEPFLUPXUFO-HADWXUJASA-N 369.421 2.421 50 40 FEGB Cc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1 3113420 JLUZQNCBRRNFIE-CAOOACKPSA-N 374.309 2.046 50 40 FEGB NNC(=O)c1ccc(COc2ccc(I)cc2)cc1 655136 HTRISUHGHHOJKZ-UHFFFAOYSA-N 368.174 2.474 50 40 FEGB C/C(=N\NC(N)=O)c1ccc(N2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)cc1 17143544 OKZPTHMEONFRHS-HVSLSVJNSA-N 360.801 2.101 50 40 FEGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C1\C(=O)Nc2ccccc21 108904676 POBVWZJSORGSGA-UHFFFAOYSA-N 370.368 2.273 50 40 FEGB O=C(NC(=S)NNC(=O)c1cccs1)c1ccc(Br)o1 2135388 NLKORLKZQPZEEI-UHFFFAOYSA-N 374.241 2.053 50 40 FEGB Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCC(N)=O)cc1 28213561 CRNNWRPIDJJUCD-UFFVCSGVSA-N 371.462 2.243 50 40 FEGB O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccc2c(c1)OCO2 7428697 XVKOTXBGIPRJLT-UHFFFAOYSA-N 370.386 2.192 50 40 FEGB COc1ccc(/C=N/NC(=O)c2sc(N)c(C#N)c2C)cc1[N+](=O)[O-] 408723868 XGKQMZJWQSMZET-CNHKJKLMSA-N 359.367 2.191 50 40 FEGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccccc1[N+](=O)[O-] 408599556 WJKILPNSBPLCGB-XDHOZWIPSA-N 353.334 2.379 50 40 FEGB Cc1cc(/C=N/NC(=O)C(=O)N2CCCC2)c(C)n1-c1ccccc1F 408970653 JUNSEIGVSVZNBL-CIAFOILYSA-N 356.401 2.306 50 40 FEGB CC1=NN(c2ccccc2C)C(=O)/C1=C/NNC(=O)c1ccc(O)cc1 95470877 GUXHPPYSFNDROP-LFIBNONCSA-N 350.378 2.242 50 40 FEGB Cc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 3116037 YCDKJBPFQGDTSH-RQZCQDPDSA-N 358.310 2.341 50 40 FEGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1 8203728 DEKDXWZCCATACB-ZDUSSCGKSA-N 371.824 2.463 50 40 FEGB Cc1cccc(OCC(=O)NNC(=O)c2cncn2-c2ccccc2)c1 15480355 DZLQIPQHAVRLDN-UHFFFAOYSA-N 350.378 2.021 50 40 FEGB CCOC(=O)C1=C(CCl)N(C)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 35326447 RJZJTLJKAMNHIC-ZDUSSCGKSA-N 353.762 2.347 50 40 FEGB CC(=O)NNC(=O)CSc1nc(C)nc2sc3c(c12)CCCC3 1223145 OMKXYJWJYMQHDF-UHFFFAOYSA-N 350.469 2.138 50 40 FEGB COC(=O)[C@H](Br)[C@@H](OC(C)=O)c1ccc(OC)c(OC)c1 1673152 QXFPBDSWSBVBSX-OLZOCXBDSA-N 361.188 2.245 50 40 FEGB O=C(NNS(=O)(=O)c1ccccc1F)c1ccccc1-n1cccc1 1394368 UTOADMZHBJHNSA-UHFFFAOYSA-N 359.382 2.240 50 40 FEGB O=C(Cc1cccc2ccccc12)NNC(=O)[C@@H]1COc2ccccc2O1 3311178 BVXRELWMXLKTQS-IBGZPJMESA-N 362.385 2.370 50 40 FEGB C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)C[C@@H](OC(=O)CC(C)C)[C@H]12 255897387 XZPCFZLGAZNCOI-PDUBUMEUSA-N 362.422 2.270 50 40 FEGB biogenic,in-vitro O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(Br)o1 1023476 OKLUPJWHNYHJFL-VIZOYTHASA-N 368.143 2.479 50 40 FEGB Cn1ncc(Cl)c1C(=O)N/N=C/c1cccc(OC2CSC2)c1 998630 RRPGKHRUIVVQQL-UBKPWBPPSA-N 350.831 2.332 50 40 FEGB CCOC(=O)[C@H](N)Cc1ccc(OC)c(N(CCCl)CCCl)c1 5844371 QEMORKWPFLFVQJ-CYBMUJFWSA-N 363.285 2.412 50 40 FEGB Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(N)=O)c1C 4205500 FAKWZMCHCZQSHD-GXDHUFHOSA-N 360.373 2.496 50 40 FEGB CCCn1nc(C(=O)NNC(=O)c2ccccc2F)c2ccccc2c1=O 7723962 AJZQJSPKYSKTAI-UHFFFAOYSA-N 368.368 2.020 50 40 FEGB COc1ccc(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)cc1OC 408788786 HAAUKFAQEAVMLZ-UDWIEESQSA-N 356.378 2.322 50 40 FEGB COc1cc(C(=O)N/N=C2/CCCC[C@@H]2[N+](=O)[O-])cc(OC)c1OC 31750344 LSSLAQSBYKYCQY-UEMWTREESA-N 351.359 2.018 50 40 FEGB CSc1nc(C)cc(OCC(=O)N/N=C/c2ccc(N(C)C)cc2)n1 3118148 OXIKCGWVQBVBQX-VCHYOVAHSA-N 359.455 2.102 50 40 FEGB C[C@@H](C(=O)N/N=C/c1ccc(N(C)C)cc1)n1cnc2ccccc2c1=O 948560 RDINNYAYJURHET-OFJBCHTGSA-N 363.421 2.174 50 40 FEGB N[C](Cc1c[nH]c2ccccc12)C(=O)NN=Cc1ccc2nccnc2c1 1560403837 QIZOVWKLTQOOPW-UHFFFAOYSA-N 357.397 2.295 50 40 FEGB Cc1cccc(C)c1N1C[C@@H](C(=O)NNC(=O)c2ccccc2)CC1=O 7928368 VLBUJTDTKPGXEW-INIZCTEOSA-N 351.406 2.118 50 40 FEGB Cc1cc2occ(CC(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)c2cc1C 25050923 OCOUNHWWCBFBDJ-OAHLLOKOSA-N 364.467 2.084 50 40 FEGB C[S@](=O)c1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1 69181842 YGMCAKDPXPPCLR-RUZDIDTESA-N 353.403 2.047 50 40 FEGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCC(=O)O 408791528 ZRHIZJLXMIRNCP-WCIBSUBMSA-N 352.774 2.244 50 40 FEGB COc1ccc(/C=N/NC(=O)COc2cccc([N+](=O)[O-])c2)c(OC)c1 1431071 DZXXFQAEUVKYKM-VCHYOVAHSA-N 359.338 2.141 50 40 FEGB O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1-n1cccc1 6923220 GECUBQWYVNMWCH-UHFFFAOYSA-N 350.334 2.460 50 40 FEGB COCCN(Cc1cccs1)C(=O)NNC(=O)c1ccccc1F 10277204 HKUFTARSZANKBH-UHFFFAOYSA-N 351.403 2.390 50 40 FEGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1ccc([N+](=O)[O-])cc1 408972867 GWNILLCWSBGSHB-YODDIOPGSA-N 366.377 2.061 50 40 FEGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)COc1ccccc1OC 3423329 FCNKNOAFZVOQQS-RGVLZGJSSA-N 374.393 2.250 50 40 FEGB CN1C(=C(C#N)C(=O)CSc2nnc(N)s2)N(C)c2ccccc21 8710865 UTBSAGIWHZVSRR-UHFFFAOYSA-N 358.452 2.103 50 40 FEGB CCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc3c(c2)OCCO3)C1=O 9340605 PTVVCZJGGWHOPO-PTNGSMBKSA-N 353.378 2.372 50 40 FEGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc2c(c1)OCO2 3413065 SVYIYRZQTINUDD-DJKKODMXSA-N 358.350 2.205 50 40 FEGB C/C(=N\NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1cccs1 20211669 NPCBSOOXONGREU-GZTJUZNOSA-N 369.443 2.194 50 40 FEGB Cc1cc(C(=O)NNC(=S)Nc2ccccc2)c2c(C)nn(C)c2n1 17073320 CRVLDBOXNKBQMC-UHFFFAOYSA-N 354.439 2.217 50 40 FEGB Cc1nc(SCC(=O)NNC(=O)c2ccoc2C)c(C#N)c(C)c1C 45293107 OWAUIENSMZJXAL-UHFFFAOYSA-N 358.423 2.333 50 40 FEGB Cc1cc(C(=O)OCC(=O)NNC(=O)c2cccs2)c(C)n1C1CC1 17131423 RERUVBOLWBBKGP-UHFFFAOYSA-N 361.423 2.119 50 40 FEGB NNC(=O)Cc1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O 4113044 LENCKMKNHKQBDM-UHFFFAOYSA-N 372.222 2.490 50 40 FEGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNc1ccccc1 409370182 MKNPIMMILGKZHF-UDWIEESQSA-N 352.350 2.169 50 40 FEGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408866898 JBFJTIMQFZNKKK-VXLYETTFSA-N 371.349 2.219 50 40 FEGB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccccc1 5126931 QQJMYEOCUFHALL-UHFFFAOYSA-N 356.422 2.207 50 40 FEGB O=C(O)CCn1cc(/C=N\NC(=O)c2ccncc2)c(-c2ccccc2)n1 12377785 VWHMUDYMPSYFBU-MTJSOVHGSA-N 363.377 2.184 50 40 FEGB O=C(NNC(=O)N1CCC([C@@H](O)c2ccccc2)CC1)c1ccccc1 58221092 ZZGWGWHXIPMVTN-SFHVURJKSA-N 353.422 2.487 50 40 FEGB O=C(N/N=C/c1ccccc1I)c1cccnc1 3335271 FKZLSOUOJDVLNR-CXUHLZMHSA-N 351.147 2.450 50 40 FEGB COc1cc(C(=O)N/N=C2/CCCC[C@H]2[N+](=O)[O-])cc(OC)c1OC 31750348 LSSLAQSBYKYCQY-ZSAINHDTSA-N 351.359 2.018 50 40 FEGB O=C(CO/N=C\c1ccccc1Cl)N/N=C1\C(=O)Nc2ccccc21 38177944 UQXMZIIBCCJOHO-OCKHKDLRSA-N 356.769 2.163 50 40 FEGB COCCn1c(C)cc2c(c1=O)[C@H](c1cccc(F)c1)C(C#N)=C(N)O2 2340546 UVLNGFARWVSIFX-MRXNPFEDSA-N 355.369 2.160 50 40 FEGB Cn1cc(C(=O)NN[C@H](C(=O)NC2CC2)c2ccccc2)c2ccccc21 8777352 FKKUCUFHPVGUQA-IBGZPJMESA-N 362.433 2.433 50 40 FEGB O=C(N/N=C/c1ccc(Br)cc1)C(=O)N1CCCCCC1 59459696 BPLLFXKYJWIJHF-GZTJUZNOSA-N 352.232 2.302 50 40 FEGB COc1cccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c1 18173204 UHNPRPAXHMBSRN-KGENOOAVSA-N 353.422 2.291 50 40 FEGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1ccc(OCC(C)C)cc1 408600987 IBRDDLNVDXGKMK-UFWORHAWSA-N 359.386 2.285 50 40 FEGB O=C(CCl)NNC(=O)CSc1ncnc2sc3c(c12)CCCC3 2383385 PYVWCCRHAIEGKN-UHFFFAOYSA-N 370.887 2.048 50 40 FEGB O=C(C[C@H]1C(=O)Nc2c(F)cccc21)NNc1nc(O)c2ccccc2n1 1182919317 ACMOQPCMKQOYMT-LLVKDONJSA-N 367.340 2.044 50 40 FEGB Cc1occc1C(=O)NNC(=O)COc1ccc(Br)cc1 670722 YJTNKJJQXHTJFA-UHFFFAOYSA-N 353.172 2.191 50 40 FEGB COc1c(O)ccc(/C=N/NC(=O)CNc2cccc(C)c2)c1[N+](=O)[O-] 779688 RNBBWUFMKVNXAN-DJKKODMXSA-N 358.354 2.180 50 40 FEGB Cn1/c(=N\NC(=O)c2ccccc2SCC(N)=O)sc2ccccc21 102874586 GCTAGVIHRYWACE-LVZFUZTISA-N 372.475 2.063 50 40 FEGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN3CCOCC3)c2C)c1 28216603 DQROEDOBOBTJQA-LPYMAVHISA-N 368.481 2.493 50 40 FEGB Cc1ccc(CN2CCN(CC(=O)N/N=C/c3ccccc3F)CC2)cc1 19366997 MSFGVUALBGAALG-OEAKJJBVSA-N 368.456 2.402 50 40 FEGB CCS(=O)(=O)[C@@H](I)[C@H](O)c1cccc(C)c1 96519289 QSICNQUAPFNUBB-GHMZBOCLSA-N 354.209 2.224 50 40 FEGB Cc1sc2ncn(CC(=O)N/N=C/c3ccccc3F)c(=O)c2c1C 958260 KRQZNPJIOZEBFO-IFRROFPPSA-N 358.398 2.364 50 40 FEGB COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1ccc(Cl)cc1 5375454 MHBZMPICQOHANF-MRXNPFEDSA-N 362.769 2.461 50 40 FEGB O=S(=O)(CCCCCl)NS(=O)(=O)c1cccc2ccccc12 3190977 GUAXAHUMFBXSCA-UHFFFAOYSA-N 361.872 2.467 50 40 FEGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc(Br)ccc1O 6453093 QSZDYKBHNUGKJF-MKMNVTDBSA-N 354.116 2.420 50 40 FEGB Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2CC(c3ccccc3)=NO2)c1 71843899 LENSCVZRKPWFLP-SFHVURJKSA-N 367.405 2.023 50 40 FEGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCCO3)cc1C 408718286 QLUDNJDQOADXET-RGVLZGJSSA-N 353.378 2.163 50 40 FEGB COc1ccccc1N[C@H](C)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 36007996 UOGAKONDNQZTNY-VDCVXVNISA-N 358.354 2.260 50 40 FEGB COCCCNC(=O)/C(C#N)=C/c1cc(Br)c(O)c(OC)c1 6210026 FKCKZXPYDLLAJM-IZZDOVSWSA-N 369.215 2.223 50 40 FEGB CCCc1n[nH]c2c1[C@@H](c1cc(OC)c3c(c1)OCO3)C(C#N)=C(N)O2 5053435 MNRUUGQWUOEDSO-AWEZNQCLSA-N 354.366 2.318 50 40 FEGB biogenic,in-vitro Cc1ccc(OCC(=O)N/N=C\c2ccc([N+](=O)[O-])s2)c([N+](=O)[O-])c1 13894207 DJKXECADINJHCB-CHHVJCJISA-N 364.339 2.402 50 40 FEGB N#CC(C#N)=C(N)[C@@]1(C#N)[C@@H](c2cccc(Br)c2)C1(C#N)C#N 6668820 RTZQLOXMTJQUPE-XJKSGUPXSA-N 363.178 2.350 50 40 FEGB CCOc1ccccc1NC(=O)[C@H](Cl)[C@](O)(C(=O)OC)C(F)(F)F 2769537 QWWNXYFXKXOVTR-GWCFXTLKSA-N 369.723 2.098 50 40 FEGB CCCCCN(C(=O)CCCCl)c1c(N)n(CCCC)c(=O)[nH]c1=O 3278087 OICUDHPECKFTJZ-UHFFFAOYSA-N 372.897 2.461 50 40 FEGB COc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1OC 408566127 DKAPTFFROWFKQU-VCHYOVAHSA-N 359.338 2.385 50 40 FEGB N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)NCc1ccc(Cl)cc1 408796101 DMAQZJLSGTYSTE-OQLLNIDSSA-N 369.808 2.427 50 40 FEGB CCOc1cc2c(cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1)OCO2 409094027 BQUALLHSCIYTNL-NVMNQCDNSA-N 357.322 2.486 50 40 FEGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1 6158832 OYAIRJJNKMYQSC-QGMBQPNBSA-N 370.321 2.046 50 40 FEGB O=C(O)CSC/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1ccccc1 18194399 IVDLAOSUHVEXJO-RGEXLXHISA-N 372.402 2.367 50 40 FEGB Cn1c2ccccc2c2cc(C(=O)NNC(=O)c3cnccn3)sc21 9749370 NQRUBMQDOWEMFJ-UHFFFAOYSA-N 351.391 2.258 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2C)cc1[N+](=O)[O-] 59459760 OGXKSSBULFTNJU-VXLYETTFSA-N 370.365 2.309 50 40 FEGB COc1ccc(C(=O)N/N=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 5513552 HTINDVXMTRBPEN-VCHYOVAHSA-N 359.338 2.385 50 40 FEGB COc1cc(/C=C(\C#N)C(N)=S)cc(I)c1O 106145438 BNVAGCPXRWIFAO-FARCUNLSSA-N 360.176 2.198 50 40 FEGB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(CCC(=O)N/N=C/c1ccccc1O)C2=O 101102435 SZYPWHVIDUGLEX-DCGOYCTASA-N 371.437 2.044 50 40 FEGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2C)[C@@H](C#N)C(=O)N1 2293708 IBBIGCIHYJLWSJ-CJNGLKHVSA-N 355.419 2.380 50 40 FEGB Cc1ccc(C(=O)NNC(=O)[C@H](NC(=O)C2CCCCC2)C(C)C)cc1 14046625 TWHSIIOCXGQRQL-QGZVFWFLSA-N 359.470 2.477 50 40 FEGB O=C(NNC(=O)c1ccccc1F)c1ccc(OC[C@@H]2CCCO2)cc1 8769012 DHBUBEYWRGWMPG-HNNXBMFYSA-N 358.369 2.458 50 40 FEGB COc1ccc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 409365109 PYEQRCYERPHCKJ-ODLFYWEKSA-N 371.349 2.067 50 40 FEGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2C)c1O 59515546 TZAAIANBGRTQOX-DJKKODMXSA-N 361.785 2.451 50 40 FEGB NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 3885863 KBKSVBWSGSNEDL-UHFFFAOYSA-N 359.329 2.110 50 40 FEGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)Nc2ccc(F)cc21 4198923 DPFLRYWVQDKFIN-IBGZPJMESA-N 353.353 2.383 50 40 FEGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccncc2)S(C)(=O)=O)cc1 408877030 SIYVSANDMIWYDI-UDWIEESQSA-N 374.466 2.121 50 40 FEGB COc1cc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)cc(Cl)c1O 31871073 NPRBLARUVZJXFB-XXZGICNZSA-N 362.769 2.344 50 40 FEGB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C/c1ccco1 948549 ULUZVABIKMNETA-UFWORHAWSA-N 356.407 2.080 50 40 FEGB COc1ccc(-c2nnc(SCC(=O)NN)n2-c2ccc(C)cc2)cc1 36724716 COIKNARHUIHXMN-UHFFFAOYSA-N 369.450 2.333 50 40 FEGB COc1cc(Br)cc(/C=N/NC(=O)c2ccccn2)c1O 880784 ZMECOPHBTSLPQS-CAOOACKPSA-N 350.172 2.322 50 40 FEGB O=C(NNC(=O)[C@H]1CCCO1)c1ccc(-c2nc3ccccc3s2)o1 42960161 UTNKMOGBDZBPDB-LLVKDONJSA-N 357.391 2.496 50 40 FEGB CCn1c(C)cc2c(c1=O)[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 2325908 LWTXEHPKYRGLFQ-MRXNPFEDSA-N 351.362 2.124 50 40 FEGB Cc1cccc(N(CC(=O)N/N=C/c2cccs2)S(C)(=O)=O)c1C 408908145 UGUWWKZXNJLYDV-LICLKQGHSA-N 365.480 2.281 50 40 FEGB CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2OC)cc1 408816946 UZOMVJPHZSURJC-RVDMUPIBSA-N 365.389 2.366 50 40 FEGB COc1c(OC(C)=O)ccc(/C=N\NC(=O)OC(C)(C)C)c1[N+](=O)[O-] 33923722 QJBXKSMODBZECR-PXNMLYILSA-N 353.331 2.387 50 40 FEGB COc1cc(/C=N\NC(=O)COc2cccc(C)c2C)cc([N+](=O)[O-])c1O 30838856 VTLNBJSVBIUCOA-OCKHKDLRSA-N 373.365 2.455 50 40 FEGB CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)C[C@@H]1O 195468047 HGLRBQHXIBHZTD-SRVKXCTJSA-N 365.510 2.079 50 40 FEGB O=S1(=O)C[C@@H](Br)[C@](Br)(c2ccccc2)C1 3066885 DFPRPSAKDXJTRA-NXEZZACHSA-N 354.063 2.469 50 40 FEGB CCCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1OCC 7869476 XPPWJNLUOZWOLR-CIAFOILYSA-N 373.409 2.234 50 40 FEGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1O 59334343 NHJYCDISNDLHKV-WTKPLQERSA-N 372.162 2.001 50 40 FEGB Cc1cc(C)n(Cc2cccc(C(=O)NNC(=O)c3ccccc3O)c2)n1 58406990 COMDOKITYJFWFC-UHFFFAOYSA-N 364.405 2.329 50 40 FEGB O=C(N/N=C/c1ccc[nH]1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 3309412 WTJWIHHNGSJWSK-LPYMAVHISA-N 371.404 2.480 50 40 FEGB CC(C)(C)NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1 408586271 MXGIYSJYZRBFMM-UHFFFAOYSA-N 357.479 2.216 50 40 FEGB O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12)N1CCSSCC1 95435101 GYRROOIZHCJPTA-UHFFFAOYSA-N 351.409 2.274 50 40 FEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(OC)cc2)c1C 408941068 PJLKCGBPTNVXHJ-XMOVILSBSA-N 370.453 2.468 50 40 FEGB O=C(NNC(=S)NC(=O)c1ccc2ccccc2c1)c1ccncc1 32118905 SAEMCCJZEALKIO-UHFFFAOYSA-N 350.403 2.184 50 40 FEGB Cc1ccc(C)c(OCC(=O)NNC(=O)/C=C/c2ccc3c(c2)OCO3)c1 6282118 UATITCUDGRENEW-SOFGYWHQSA-N 368.389 2.272 50 40 FEGB CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)c2cccnc2)cc1 408997466 GOSYPMTYWDTORY-SRZZPIQSSA-N 354.410 2.139 50 40 FEGB COc1cc(/C=N\NC(=O)c2cccnc2)ccc1OCC(=O)OC(C)C 408600697 DZGCBCKVBSHWGH-FBHDLOMBSA-N 371.393 2.185 50 40 FEGB CCOc1cc(/C=N\NC(=O)Nc2ccccc2)ccc1OCC(N)=O 409201841 OLNITUHEHUSLTK-JAIQZWGSSA-N 356.382 2.105 50 40 FEGB COc1cccc2cc(C(=O)N/N=C/c3cccc(OCC(N)=O)c3)oc12 408972211 NMEONXJGTZPZHL-UFFVCSGVSA-N 367.361 2.069 50 40 FEGB CC[C@H](C(=O)N/N=C/c1c(C)nn(C)c1F)n1nc(C)c(Cl)c1C 252505160 VQBVVTFDGODBFU-CIPPFVMLSA-N 354.817 2.436 50 40 FEGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1cccc(O)c1 100522759 MUOHVNRVRRNRGZ-CIAFOILYSA-N 369.377 2.298 50 40 FEGB CN(C)c1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 2676200 XACHSMNQUKDHRX-LICLKQGHSA-N 357.326 2.333 50 40 FEGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccncc1 7941655 XRZUWKIXAMIIGZ-XSFVSMFZSA-N 372.450 2.020 50 40 FEGB COc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(OC)c1OC 3323884 HPIKVHHKQMSJRS-DJKKODMXSA-N 358.350 2.205 50 40 FEGB Cc1cc2c(c(=O)n1CCN(C)C)[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2 2245122 UCFRXXFVQHYRTM-KRWDZBQOSA-N 368.412 2.076 50 40 FEGB CCCCn1nnnc1COC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1 97998258 BWKGLOSVBIGIOL-PTNGSMBKSA-N 354.414 2.190 50 40 FEGB NNC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1 225500934 CJCNASAXGFRVKW-UHFFFAOYSA-N 360.222 2.398 50 40 FEGB COc1cccc(/C=N/NC(=O)c2cccc(Cn3cccn3)c2)c1O 1081743 UNUKSYNIHOQVLX-UDWIEESQSA-N 350.378 2.410 50 40 FEGB COC(=O)c1sccc1NC(=O)/C(C#N)=C1\C(=O)Nc2ccccc21 61717781 AONCSVAJMOLCKJ-RAXLEYEMSA-N 353.359 2.403 50 40 FEGB CC1(C)OC(=O)C(=C2[C@H]3[C@H]4C[C@@H]5[C@@H]3[C@@H](Br)[C@H]3[C@@H]2[C@H]4[C@H]53)C(=O)O1 100012052 RJGIOBOOMIYNRD-WKGCEBGZSA-N 365.223 2.270 50 40 FEGB Cc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1 8354398 RWMMBJQPKPWXNM-UHFFFAOYSA-N 359.813 2.230 50 40 FEGB CN1C(=O)CC[C@H](C(=O)NNC(=O)c2ccccc2)[C@@H]1c1ccccc1 72280984 QAYGBLBEBXHNFT-WMZOPIPTSA-N 351.406 2.057 50 40 FEGB COc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(F)cc3)CC2=O)cc1 33323179 NROWJFMZMXREJN-LRXPYSHVSA-N 355.369 2.338 50 40 FEGB COc1ccccc1/C=N/NC(=O)c1c(Br)c(C)nn1C 669089 JRYQMWOCXNVGHL-LZYBPNLTSA-N 351.204 2.264 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1[N+](=O)[O-] 59459759 UMRJDRXOYLOVQE-VXLYETTFSA-N 370.365 2.309 50 40 FEGB Cc1cccn2c(=O)c(/C=C(\C#N)C(N)=O)c(Oc3ccc(F)cc3)nc12 3644191 YZAJUFHRDZWITI-FMIVXFBMSA-N 364.336 2.327 50 40 FEGB CCn1c(NNC(=O)Cc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 9857306 QZNBJUGOCWPOLY-UHFFFAOYSA-N 367.365 2.010 50 40 FEGB Cn1c(N)c(-c2csc(C(C#N)=C3CCCCC3)n2)c(=O)n(C)c1=O 9952562 FRCWEYDTMMEXQY-UHFFFAOYSA-N 357.439 2.031 50 40 FEGB COc1c(O)ccc(/C=N/NC(=O)COc2c(C)cccc2C)c1[N+](=O)[O-] 1445091 AAJKRZYRIBQOMG-DJKKODMXSA-N 373.365 2.455 50 40 FEGB O=C(CNC(=O)c1cccs1)N/N=C/c1cccc(Br)c1 2771253 XDGXLDQPSSIXMY-CAOOACKPSA-N 366.240 2.391 50 40 FEGB CC1(C)OC(=O)C(=C2[C@@H]3[C@H]4C[C@@H]5[C@H]3[C@@H](Br)[C@H]3[C@H]2[C@H]4[C@@H]53)C(=O)O1 575318868 RJGIOBOOMIYNRD-IZXZYZTNSA-N 365.223 2.270 50 40 FEGB CCn1c(C)nc2cc(C(=O)NNC(=O)COC3CCCCC3)ccc21 44256478 ZLVODBYKKWNRKW-UHFFFAOYSA-N 358.442 2.475 50 40 FEGB CCOc1cc(/C=N/NC(=O)COc2ccccc2)cc([N+](=O)[O-])c1O 408527289 LUVZSGSCMSJEMP-VCHYOVAHSA-N 359.338 2.228 50 40 FEGB O=C(N/N=C/c1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1 3470029 BMKRSPWRUPBAAP-XMHGGMMESA-N 357.435 2.235 50 40 FEGB Cn1c(CC(=O)NNC(=O)CCCc2cccs2)nc2ccccc21 6648443 YIOYRJTVFYZPGY-UHFFFAOYSA-N 356.451 2.348 50 40 FEGB N#C/C(=C\Nc1cccc([N+](=O)[O-])c1)C(=O)NC(=O)Cc1ccccc1 100482251 MVERLNGHRAFRAF-WYMLVPIESA-N 350.334 2.300 50 40 FEGB Cc1ccccc1N1C(=O)C[C@H](NNC(=O)c2cc3c(s2)CCC3)C1=O 102314195 ZSCGHCYFLYKPLM-ZDUSSCGKSA-N 369.446 2.112 50 40 FEGB O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1ccco1 19826249 IWYWWPZNZWDJRC-NDENLUEZSA-N 360.845 2.201 50 40 FEGB O=C(Cc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 409002817 WOFSXUAVNGWFBB-XSFVSMFZSA-N 368.393 2.124 50 40 FEGB COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2cccc(NC(C)=O)c2)c1O 83312024 CFIFDQGWYITJCN-NVMNQCDNSA-N 372.337 2.031 50 40 FEGB COCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 5007787 ISWUMHPALXXDMX-GZTJUZNOSA-N 367.405 2.462 50 40 FEGB CC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 12630915 LWOZBLMRZAMJES-GHXNOFRVSA-N 365.301 2.440 50 40 FEGB Cc1csc(C2=C(N)NC(SCC(N)=O)=C(C#N)C23CCCC3)n1 24032489 KOQCQWUBMPTOTI-UHFFFAOYSA-N 361.496 2.196 50 40 FEGB C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)C[C@@H](OC(=O)CC(C)C)[C@H]12 958318596 XZPCFZLGAZNCOI-LMMKCTJWSA-N 362.422 2.270 50 40 FEGB biogenic,in-vitro CC(C)OC(=O)[C@@H]1/C(=N/NC(=O)CC#N)C[C@](C)(O)C[C@H]1c1ccccc1 100249728 NDLPWJOXTYXKLK-UIFKEEEYSA-N 371.437 2.269 50 40 FEGB CC(C)n1nc(C(=O)NNC(=O)Cc2cccs2)c2ccccc2c1=O 21787768 BIBXZEWPOWTYMQ-UHFFFAOYSA-N 370.434 2.043 50 40 FEGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nn1cnnc1 859778 OXWVLAJIIZNIBP-YRNVUSSQSA-N 350.294 2.124 50 40 FEGB CCn1c(C)nc2cc(C(=O)N/N=C/c3ccc(O)c(O)c3O)ccc21 3230931 ACGKZTTVUAVCNN-DJKKODMXSA-N 354.366 2.245 50 40 FEGB CCOC(=O)COc1ccccc1/C=C(\C#N)C(=O)NCc1ccco1 408927197 OTKSAKQTSCMVAW-XNTDXEJSSA-N 354.362 2.445 50 40 FEGB COC(=O)COc1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)cc1 408528520 HUPQZASEANDPEA-SRZZPIQSSA-N 355.394 2.109 50 40 FEGB Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1C[C@@H]1CCCO1 41778709 GRIRHAVTEFCIGT-YGTIUHBDSA-N 357.454 2.486 50 40 FEGB Cc1cccc(/C=N/NC(=O)c2ccn(Cc3ccc([N+](=O)[O-])cc3)n2)n1 1089365 RPTOEIAWUSNMBR-YBFXNURJSA-N 364.365 2.307 50 40 FEGB COc1cc(/C=N/NC(=O)CN2Cc3ccccc3C2)cc(OC)c1OC 8110162 AXWZFWYLIBYWDV-UFFVCSGVSA-N 369.421 2.178 50 40 FEGB CN1C(=O)/C(=N/NC(=O)CSc2nc3ccccc3o2)c2ccccc21 6413748 ZKSMVBYLOJORBA-LTGZKZEYSA-N 366.402 2.417 50 40 FEGB COC[C@@H](C)n1c(SCC(=O)/C(C#N)=C(/C)N)nc2ccccc2c1=O 104806942 XIRZTXRXAWABOD-QTQPHVRFSA-N 372.450 2.021 50 40 FEGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(N)=O)c2C)cc1 3369130 VGWHPKPDFJKVGJ-OQLLNIDSSA-N 353.378 2.038 50 40 FEGB O=C(COc1ccccc1)NNC(=S)NC(=O)c1ccc(Cl)cc1 4602725 KNTHUKVLSMTHHN-UHFFFAOYSA-N 363.826 2.055 50 40 FEGB Cc1cc(C(=O)NNC(=O)c2ccc(CNC(=O)NC(C)C)cc2)c(C)o1 8143916 AZDXJRPNJUHRMU-UHFFFAOYSA-N 372.425 2.179 50 40 FEGB CCc1ccc(N(CC(=O)N/N=C/c2ccccc2)S(C)(=O)=O)cc1 409028792 SPSRXUFYFITNTD-CPNJWEJPSA-N 359.451 2.165 50 40 FEGB CN1C(=C(C#N)C(=O)Cn2cnc3ccccc3c2=O)N(C)c2ccccc21 31681408 NKZSISKOBOTXIA-UHFFFAOYSA-N 371.400 2.287 50 40 FEGB O=C1C[C@H](N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)C(=O)O1 100746747 ZNHSFIHLWPKKGE-QFQXNISHSA-N 353.808 2.383 50 40 FEGB Cc1ccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1C 101318294 QXIDKADQUOTZBV-BREGNPSQSA-N 372.899 2.144 50 40 FEGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccccc2N)c(OC)c1 100927706 ZAQNAMRITYVYEQ-WSDLNYQXSA-N 370.409 2.421 50 40 FEGB CNc1snc(C)c1C(=O)NNC(=O)c1ccccc1Br 16969295 CKSUXPBVYLMNTC-UHFFFAOYSA-N 369.244 2.331 50 40 FEGB COc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 408685630 POTCKRLTYBVZBJ-HUXGKSLCSA-N 366.211 2.205 50 40 FEGB O=C(NN1C(=O)[C@@H](Cl)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1O 1633510 MYLSRKKIVQKDRD-UONOGXRCSA-N 361.741 2.136 50 40 FEGB CC(C)c1ccc(OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 647102 SSVWIZDUKWYROW-GOSISDBHSA-N 370.405 2.176 50 40 FEGB CC(=O)Nc1ccc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)cc1 3281483 WNRALSYMLWLUKA-UFWORHAWSA-N 353.304 2.011 50 40 FEGB COC(=O)COc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1 408828981 KBZSZTYHRMRKQD-RGVLZGJSSA-N 356.378 2.076 50 40 FEGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(-n3cnnn3)cc2)cc1 8158549 YAWZDMHAAJLTQK-DEDYPNTBSA-N 363.425 2.272 50 40 FEGB CCOc1ccc(NC(=O)C(=O)N/N=C\c2cccc(OCC)c2O)cc1 223152248 WSWBVMRBDJOCNA-NDENLUEZSA-N 371.393 2.278 50 40 FEGB CCN(CC)C(=O)COc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1OC 6937633 KMGNMTVIVVCQPL-XNTDXEJSSA-N 371.437 2.128 50 40 FEGB COCCCNC(=O)/C(C#N)=C/c1cc(Br)cc(OC)c1O 408814084 RJFXPIATCBTTNJ-IZZDOVSWSA-N 369.215 2.223 50 40 FEGB C=CCOc1ccc(C(=O)NNC(=S)NC(=O)Cc2ccccc2)cc1 8554707 DRUJZRVWWSVWLW-UHFFFAOYSA-N 369.446 2.130 50 40 FEGB Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 5581038 DDCJOPUYZCIDQZ-UONOGXRCSA-N 360.757 2.013 50 40 FEGB CN1C(=O)/C(=N\NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 101206095 XTMWSWAHJNHQRJ-JXAWBTAJSA-N 358.741 2.359 50 40 FEGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1ccccc1[N+](=O)[O-] 408973975 SJDBFSTWLNEMIP-MBTVCVBTSA-N 366.377 2.061 50 40 FEGB O=C(COC(=O)c1cc(F)c(F)cc1Cl)NNC(=O)c1ccccc1 4847032 VOENTXVEJQXQDX-UHFFFAOYSA-N 368.723 2.236 50 40 FEGB COc1cc(C(=O)N/N=C\c2ccccc2)c([N+](=O)[O-])c(OC)c1OC 28632444 HSMFLSSFXLFZRA-ZDLGFXPLSA-N 359.338 2.385 50 40 FEGB COc1ccc(C(=O)N/N=C/c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1OC 5737896 JIWWDLDCXDPRKN-YBFXNURJSA-N 372.381 2.442 50 40 FEGB Cc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 100572081 CUICXMWCGWEPOI-OAHLLOKOSA-N 357.797 2.215 50 40 FEGB COc1ccc(OC)c(NC(=O)C/C(C)=N/NC(=O)c2cccnc2)c1 102266865 GVRMYDUHADEDBY-CIAFOILYSA-N 356.382 2.233 50 40 FEGB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3CCC(O)(C#N)CC3)C2)c1 101457448 QVGARWNBMPBWSK-QGZVFWFLSA-N 369.465 2.033 50 40 FEGB CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c2ccccc21 2337525 ZQOGBFORHPKJEH-OAQYLSRUSA-N 371.352 2.142 50 40 FEGB CCCCCCCC(=O)NNS(=O)(=O)c1ccc(NC(C)=O)cc1 100961318 HALKPKPKUSEIOA-UHFFFAOYSA-N 355.460 2.315 50 40 FEGB CCOc1cc(/C=N/NC(=O)c2n[nH]c(=O)c3ccccc23)ccc1OC 6648747 GHGAAKWYWUSGJK-RGVLZGJSSA-N 366.377 2.094 50 40 FEGB N#CC1=C(SCC(=O)NC[C@@H]2CCCO2)NC(=O)C[C@H]1c1ccccc1 6496089 JCZDMVWTTVDGAE-GJZGRUSLSA-N 371.462 2.054 50 40 FEGB CCOc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)cc1 7379577 UMQVGIYLMNBXFC-UHFFFAOYSA-N 366.464 2.259 50 40 FEGB Cc1ccccc1-n1nc(C(=O)N/N=C\c2ccco2)c(C)c(C#N)c1=O 409057741 WFNNJXRFSYXARC-NHDPSOOVSA-N 361.361 2.078 50 40 FEGB COc1c([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc2c(c1OC)OCO2 85409583 ANTSPZFZUDUKLD-OAHLLOKOSA-N 368.345 2.356 50 40 FEGB CCc1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(C)cc3)CC2=O)c1 12923335 OOSQICFSFWBBRJ-KRWDZBQOSA-N 365.433 2.372 50 40 FEGB CSc1nc2cc3c(cc2n1CC(=O)N/N=C/c1ccco1)OCCO3 5335918 CKJKWXSRVSZHBU-GIJQJNRQSA-N 372.406 2.273 50 40 FEGB COC(=O)CCC(=O)NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 3183448 MYDUZSPIEBQGSE-KRWDZBQOSA-N 366.417 2.093 50 40 FEGB COc1cccc(CN(C)CC(=O)NNC(=O)c2ccc(Cl)cc2)c1 3584004 ZDLCCSVILDVHDL-UHFFFAOYSA-N 361.829 2.242 50 40 FEGB N#C/C(=C/c1ccccc1I)C(=O)N1CCOCC1 408552424 UAFMUYYOCVDLQA-XFXZXTDPSA-N 368.174 2.057 50 40 FEGB COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1Nc1ccccc1C 408707537 KGKZMLJCVOPYEG-CIAFOILYSA-N 366.421 2.476 50 40 FEGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccc(O)cc1 409243070 VFAODGWLMBEYCA-DEDYPNTBSA-N 355.394 2.001 50 40 FEGB O=C1C[C@@]2(CC=CCC23OCCO3)C[C@H](CI)O1 1585686 AFIRANYOSGVOKM-ZYHUDNBSSA-N 364.179 2.207 50 40 FEGB biogenic O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc([N+](=O)[O-])c1 4852620 IVBQGJRANNHNET-UHFFFAOYSA-N 364.701 2.231 50 40 FEGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1ccc(C#N)cc1F 18093598 SETMOVWVQOKREO-CNPYVQQSSA-N 363.352 2.452 50 40 FEGB COc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c([N+](=O)[O-])cc1OC 409199688 IXGWULUHNHUMSY-HXJASHHUSA-N 368.349 2.369 50 40 FEGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccccc3O)CC2=O)cc1 6962944 NRWOBJXLSYHDDI-VRCTWVPOSA-N 367.405 2.294 50 40 FEGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N\NC(=O)c1ccc(C#N)cc1F 100371188 SETMOVWVQOKREO-VBHHZLGVSA-N 363.352 2.452 50 40 FEGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1cc([N+](=O)[O-])ccc1O 35253886 QCNJDWTYWQLXJI-UBKPWBPPSA-N 363.713 2.446 50 40 FEGB CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 57509001 JPXAXXFCUGNEEY-CQSZACIVSA-N 354.790 2.114 50 40 FEGB O=C(NNC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccncc1 4682383 SYQUZZLCAREGGR-UHFFFAOYSA-N 352.306 2.325 50 40 FEGB O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)N(Cc2ccccc2)C1 15503929 JWEAZVSMNYXPQO-AWEZNQCLSA-N 354.366 2.087 50 40 FEGB CCOC(=O)COc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OC 409216700 KGLCRVKEMCXOAD-BKUYFWCQSA-N 370.405 2.330 50 40 FEGB CN(C)CC(=O)NNC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 95942361 OLSVAZHDJZSTBX-UHFFFAOYSA-N 372.269 2.439 50 40 FEGB CCCCOc1ccc(CC(=O)NNC(=S)NC)cc1Br 3187134 YHWIEOMWKAIXPD-UHFFFAOYSA-N 374.304 2.296 50 40 FEGB COc1ccc(/C=N\NC(=O)c2n[nH]c3c2CCCC3)c(OC)c1OC 12420125 JPXCENBUPIXKGE-GRSHGNNSSA-N 358.398 2.078 50 40 FEGB CCCCC(=O)NN/C=C1/C(=O)N(C2CCCCC2)C(=S)N=C1O 6782944 QNHBUUSSHUXUNB-ZRDIBKRKSA-N 352.460 2.098 50 40 FEGB C[C@]1(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)CC1(Cl)Cl 15841701 IVOOAIBCSCJJIB-CQSZACIVSA-N 353.209 2.422 50 40 FEGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/NC(=O)C(C)C)o2)cc1 408772583 DDCIGKSQMCKBLT-VCHYOVAHSA-N 363.439 2.173 50 40 FEGB O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)[C@H]1CCCc2ccccc21 32759223 WWIIPHLBEISGCR-HNNXBMFYSA-N 369.377 2.241 50 40 FEGB C[C@]1(Br)[C@H](Br)CS(=O)(=O)[C@@H]1Br 100838146 PRHKXBMDBZJYQR-WISUUJSJSA-N 370.888 2.053 50 40 FEGB COCc1c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)oc2ccccc12 14245780 YOMLODSMWMZREM-UHFFFAOYSA-N 368.345 2.383 50 40 FEGB CSc1nc(C)cc(SCC(=O)N/N=C\c2ccc([N+](=O)[O-])o2)n1 26803305 CLCSEXHKIZUKAZ-NSIKDUERSA-N 367.412 2.251 50 40 FEGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)N2CCCC2)c1C 408971340 IOGNZMTWDURGPN-FYJGNVAPSA-N 352.438 2.475 50 40 FEGB COc1cccc(C(=O)N/N=C/c2cc([N+](=O)[O-])c(OC)cc2OC)c1 169878646 CUFRAEWTXANUQJ-VCHYOVAHSA-N 359.338 2.385 50 40 FEGB COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)cc2c1OCO2 8783477 NTCKKRUZZHJSGL-ZDUSSCGKSA-N 354.366 2.489 50 40 FEGB biogenic,in-vitro O=C(/C=C\c1ccccc1)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1 16839281 XAQSXHVSFNISPT-QBFSEMIESA-N 373.412 2.371 50 40 FEGB CCCOc1ccc(Br)cc1/C=C/C(=O)NNC(N)=S 62715845 SVYYBRSSGLMYAX-ZZXKWVIFSA-N 358.261 2.116 50 40 FEGB Cc1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc1 408731165 YDGFRGPMCMLRGA-VXLYETTFSA-N 354.801 2.452 50 40 FEGB COc1ccc(CC(=O)NNC(=O)COc2ccc(Cl)cc2C)cc1 5724968 IERPDUIVCWWNJP-UHFFFAOYSA-N 362.813 2.426 50 40 FEGB O=C(CCN1CCCCC1)NNC(=O)COc1ccc(Cl)cc1Cl 3164640 SZZIRBWMXWXCAW-UHFFFAOYSA-N 374.268 2.396 50 40 FEGB COc1ccc(Br)c(C(=O)NNC(=O)c2cccc(O)c2)c1 9155726 AOHLUNGEJVISQL-UHFFFAOYSA-N 365.183 2.238 50 40 FEGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)cc1 408803430 OSYKVXKHZTVIDA-XNTDXEJSSA-N 365.389 2.413 50 40 FEGB C(=N/CCC[Si]12OCCN(CCO1)CCO2)\c1c[nH]c2ccccc12 231944101 POUDPFVGMSZCHS-XMHGGMMESA-N 359.502 2.295 50 40 FEGB CCc1ccc2c(CC(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)coc2c1 25042814 GTUBNOBXSSJVBU-HNNXBMFYSA-N 364.467 2.030 50 40 FEGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1Nc1ccccc1C 408708777 SNWHURHFCQZKDY-LPYMAVHISA-N 366.421 2.500 50 40 FEGB Cc1ccc(-n2nc(C(=O)N/N=C\c3ccco3)c(C)c(C#N)c2=O)cc1 409057341 KQXCRQGWWHBVLJ-NHDPSOOVSA-N 361.361 2.078 50 40 FEGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1)N/N=C\c1cccc([N+](=O)[O-])c1 31628917 DKFSPJZPMJPBKN-CQRYCMKKSA-N 356.298 2.170 50 40 FEGB Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 144669045 LQKXNBNNHSIMFQ-INIZCTEOSA-N 351.406 2.118 50 40 FEGB N#CSCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 98063976 UFKGBDIQWWZWCU-UHFFFAOYSA-N 374.344 2.476 50 40 FEGB COc1ccc(CC(=O)NNC(=O)COc2ccc(Cl)c(C)c2)cc1 5960274 HVENKRVGKKKWNY-UHFFFAOYSA-N 362.813 2.426 50 40 FEGB CC1=C(C#N)[C@](c2c(C)[nH]n(-c3ccccc3)c2=O)(C(F)(F)F)C(=O)N1 100137340 BEMMJIXHNXESAY-MRXNPFEDSA-N 362.311 2.202 50 40 FEGB Cc1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 3085732 RYSRFGOSFFVXCM-RQZCQDPDSA-N 358.310 2.341 50 40 FEGB CN(c1ccc2sc(C(=O)NN)cc2c1)S(=O)(=O)c1ccccc1 223469865 UMMCIAMVKOYOJO-UHFFFAOYSA-N 361.448 2.330 50 40 FEGB COc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c(OC)c1 8115048 IHTXKUMRFXHHPZ-NGZBARDMSA-N 367.405 2.207 50 40 FEGB COc1ccc(OCC(=O)N/N=C2\C(=O)Nc3c(C)ccc(C)c32)cc1 5442761 PYHPLTQAYWBONN-UHFFFAOYSA-N 353.378 2.163 50 40 FEGB CC(C)[C@@H](OC[C@@H]1CCCO1)C(=O)N/N=c1/sc2ccccc2n1C 102112625 BAOVEDRCJKYZOZ-CULMNYCNSA-N 363.483 2.392 50 40 FEGB CCCCOc1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1 102198894 DCUMJOXKHZTQGV-DIECFANBSA-N 374.437 2.373 50 40 FEGB O=C(NNC(=O)C1CCC1)c1nn(-c2ccccc2C(F)(F)F)cc1O 12816937 OFGUTHCMADTCJH-UHFFFAOYSA-N 368.315 2.158 50 40 FEGB COC(=O)c1ccc(NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 5879545 FUNPYIYGKISOAS-UHFFFAOYSA-N 374.378 2.013 50 40 FEGB CC(=O)Oc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1 5541509 VUTNVMLFNJMUEN-GIJQJNRQSA-N 358.423 2.261 50 40 FEGB O=C(/C=C/c1ccc(Cl)cc1)NNC(=O)c1n[nH]c(=O)c2ccccc12 3322440 ILCQFAATGFYWHM-JXMROGBWSA-N 368.780 2.051 50 40 FEGB CCOc1ccc(N([C@@H](C)C(=O)NN=C2CCCC2)S(C)(=O)=O)cc1 6155650 MCHBXYVZSXOPAR-ZDUSSCGKSA-N 367.471 2.286 50 40 FEGB COC(=O)c1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)o1 95428280 NAUKWEYCWNTPIS-UHFFFAOYSA-N 374.393 2.338 50 40 FEGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1 409124513 KSJPBJMJPDBRGY-VPNURPJOSA-N 371.462 2.490 50 40 FEGB CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2cccc(O)c2)s1 408729577 CLGVVMUYENDMNQ-LICLKQGHSA-N 361.427 2.065 50 40 FEGB CCCCC(=O)NN/C=C1/C(=O)N(CCC2=CCCCC2)C(=O)N=C1O 38168272 UMWBJOOOUDNMHH-WYMLVPIESA-N 362.430 2.491 50 40 FEGB CCCOc1ccc(C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 3360698 CWXJFSIKOJRVDC-UHFFFAOYSA-N 353.378 2.187 50 40 FEGB O=C(N/N=C/c1ccccc1I)c1ccncc1 3572193 TZODGEFBHUVYGF-CXUHLZMHSA-N 351.147 2.450 50 40 FEGB CCCCC[C@H](C)NC(=O)CCC(=O)NNC(=O)c1cccc(F)c1 4680927 FVIFXDOJODQQQS-ZDUSSCGKSA-N 351.422 2.452 50 40 FEGB CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccccc3O)CC2=O)cc1 409155214 QJPDDIZZNUKYCV-IXGURIBZSA-N 351.406 2.458 50 40 FEGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3F)CC2=O)cc1C 408616030 UZQACNXHMLOSIU-AWEZNQCLSA-N 369.396 2.257 50 40 FEGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(N(C)C)cc1 408604511 JYCJDJSUFNGZJO-OAHLLOKOSA-N 369.450 2.310 50 40 FEGB O=C(N/N=C/c1cccc(O)c1)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 1091851 DOLUIYNPNCMCMA-YBFXNURJSA-N 365.349 2.309 50 40 FEGB O=C(NNS(=O)(=O)c1cc(F)cc(F)c1)C12CC3CC(CC(C3)C1)C2 16154305 OFMOREREPSKKKQ-UHFFFAOYSA-N 370.421 2.491 50 40 FEGB O=C(NNS(=O)(=O)c1ccccc1)c1cccc(Br)c1 705539 WEDWBBJLDMRXGZ-UHFFFAOYSA-N 355.213 2.072 50 40 FEGB C#CCOc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC)cc1OCC 2178039 IRBYHAXCJDPFKZ-GOSISDBHSA-N 368.389 2.352 50 40 FEGB C[C@H](Oc1cccc(Br)c1)C(=O)N/N=C/c1cnn(C)c1 2349900 YRHBGASQYBJVPF-NPVNMOQSSA-N 351.204 2.100 50 40 FEGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cncc(Br)c1 2357374 MECAUOJAQNTLGD-OMCISZLKSA-N 365.143 2.222 50 40 FEGB O=C(COc1ccccc1F)NNC(=O)COc1ccccc1Cl 6448391 KVOJYCDPSVYARL-UHFFFAOYSA-N 352.749 2.084 50 40 FEGB CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1 408806765 BQNSKYVPQFYXPJ-QGOAFFKASA-N 363.417 2.077 50 40 FEGB O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1cccc([N+](=O)[O-])c1 409125451 AKNAKSSYVSIJMY-UDWIEESQSA-N 372.356 2.334 50 40 FEGB O=C(CCl)N(c1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 217382670 AOYAMIHGRINODT-VIFPVBQESA-N 355.765 2.464 50 40 FEGB CSC1=N[C@](NC(=O)c2ccc(Cl)cc2)(C(Cl)Cl)C(=O)N1 101426473 MOHCXRMATJRBFX-GFCCVEGCSA-N 366.657 2.419 50 40 FEGB CC1(C)C(=O)[C@@]2(Br)CC[C@]1(CC(N)=O)[C@H]2Br 109275402 JGRNXLIZHLAUNY-PPKCKEKNSA-N 353.054 2.148 50 40 FEGB O=C(NNC(=O)c1ccccc1F)c1ccc(OC[C@H]2CCCO2)cc1 8769014 DHBUBEYWRGWMPG-OAHLLOKOSA-N 358.369 2.458 50 40 FEGB C[N+]1(CC(=O)NNc2c3ccccc3nc3ccccc23)CCOCC1 4608107 VFMDZWDOZBQGGT-UHFFFAOYSA-O 351.430 2.308 50 40 FEGB O=C(N/N=C\c1ccccc1[N+](=O)[O-])N/N=C\c1ccccc1[N+](=O)[O-] 31628896 XALPGYJENPARFS-CQRYCMKKSA-N 356.298 2.170 50 40 FEGB Cc1cc(-n2c(C)cc(/C=C(/C#N)c3nc(N)nc(N(C)C)n3)c2C)no1 48325679 RBXPHHJEHBYRSW-ZSOIEALJSA-N 364.413 2.288 50 40 FEGB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NNC(=O)c1ccc([N+](=O)[O-])cc1 100671407 RAYDZPSUDUTSPZ-NYYJTOMGSA-N 373.409 2.077 50 40 FEGB C[C@@H](CNC(=N)CSS(=O)(=O)O)OC12CC3CC(CC(C3)C1)C2 17021994 UCDWLIXRVZBBKA-OWWVKFPZSA-N 362.517 2.463 50 40 FEGB CC(C)c1ccc(OCC(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 5413771 WXDFVVZDHCGEJM-HOTGVXAUSA-N 362.426 2.227 50 40 FEGB Cc1ccc([C@H](NC(=O)NN2CCN(C)CC2)C(Cl)Cl)cc1F 3170678 SVPMPOJNHBWQNK-ZDUSSCGKSA-N 363.264 2.441 50 40 FEGB C=C1C(=O)O[C@H]2/C=C(\CO)CC/C=C(\C=O)C[C@@H](OC(=O)CC(C)C)[C@@H]12 100069852 XZPCFZLGAZNCOI-BSHSXAHTSA-N 362.422 2.270 50 40 FEGB biogenic,in-vitro CN(C)c1ccc(/C=N/NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 3187766 ZKSJZEARTDHHOP-ZVBGSRNCSA-N 366.343 2.083 50 40 FEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccs1)c1ccc(Cl)cc1 20209625 SUILZBLYBQYXJS-CXUHLZMHSA-N 371.871 2.318 50 40 FEGB CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cn2)ccc1OCC#N 2299646 HBMBVTIKKYTFAJ-KEBDBYFISA-N 369.337 2.055 50 40 FEGB COc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c(OC)c1 691447 BOPYPARTPPVULD-GOSISDBHSA-N 368.437 2.281 50 40 FEGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(N(C)C)cc1 58884871 IZVQZNSZWLAVMU-DEDYPNTBSA-N 354.410 2.240 50 40 FEGB Cc1cc(/C=N/NC(=O)CN2CCOCC2)c(C)n1-c1ccc(F)cc1 28216619 GESZPSGKDBQIAS-CIAFOILYSA-N 358.417 2.016 50 40 FEGB O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1Cl 13622959 LIOVZNLSBKSPBY-CQSZACIVSA-N 371.824 2.150 50 40 FEGB CCc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 6542823 LAQWEHJBNGXIJF-DEDYPNTBSA-N 373.478 2.328 50 40 FEGB CC(C)Nc1nc(Cl)nc(NNC(=O)[C@@H](C)Oc2ccccc2)n1 857316 AAWWPMWEAAMDLI-SNVBAGLBSA-N 350.810 2.256 50 40 FEGB C#CCOc1cccc(C=NNC(=O)N/N=C/c2cccc(OCC#C)c2)c1 6028435 UMAKBLQZEBDUGK-XYAQTMJJSA-N 374.400 2.378 50 40 FEGB C[C@H](Oc1ccccc1F)C(=O)NNS(=O)(=O)c1cccc(Cl)c1 7383645 SLKZYDYPVHSNNP-JTQLQIEISA-N 372.805 2.256 50 40 FEGB COc1cc(NC(=S)NNC(=O)c2ccccc2)cc(OC)c1OC 17074411 YFVSRXBNCMUFCW-UHFFFAOYSA-N 361.423 2.344 50 40 FEGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(F)cc2)c1C#N 1502021 HRMFQUIBKMUAGU-ZVBGSRNCSA-N 356.357 2.076 50 40 FEGB O=C(CCSc1ccc(F)cc1)NNS(=O)(=O)c1cccc(F)c1 7387230 NHYXCZRIMXIOKW-UHFFFAOYSA-N 372.418 2.457 50 40 FEGB O=C1C[C@]2(CC=CCC23OCCO3)C[C@H](CI)O1 1585687 AFIRANYOSGVOKM-PWSUYJOCSA-N 364.179 2.207 50 40 FEGB biogenic O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(F)cc1 4184447 UECOSWUSXXYSON-RGVLZGJSSA-N 358.329 2.004 50 40 FEGB O=C(Cn1nnc2ccccc21)NNC(=O)c1cc2c(s1)CCCCC2 14328934 CAKHVEKCOAWBIL-UHFFFAOYSA-N 369.450 2.223 50 40 FEGB CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccco2)cc1 2751865 XDZJIFFODYKDLM-UHFFFAOYSA-N 361.423 2.118 50 40 FEGB COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc(Cl)c1O 2342246 NPRBLARUVZJXFB-ODGHKMFZSA-N 362.769 2.344 50 40 FEGB NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1 225500884 YEWYFSARZONTBN-UHFFFAOYSA-N 360.222 2.398 50 40 FEGB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)C1CC1 26966953 BNRNGLAYTMAZPK-ZDUSSCGKSA-N 372.252 2.305 50 40 FEGB Cn1c(SCC(=O)N/N=C/c2ccccc2O)nnc1-c1ccccc1 1085720 ZKUGBGLNUGBLPW-YBFXNURJSA-N 367.434 2.430 50 40 FEGB CCCCN1C(=O)/C(=N/NC(=O)[C@@H](O)c2ccccc2)c2ccccc21 5850557 VZFKFHNLWBXRJB-KOXKPCSVSA-N 351.406 2.387 50 40 FEGB O=C(COC(=O)c1ccccc1F)NNC(=O)c1cccc(Cl)c1 6949161 YXFMZONUJFNADS-UHFFFAOYSA-N 350.733 2.097 50 40 FEGB Cc1ccc(CN2CCN(CC(=O)N/N=C/c3ccc(C)o3)CC2)cc1 19367463 BLYRCLBAMIJMDX-FYJGNVAPSA-N 354.454 2.164 50 40 FEGB CC(C)c1n[nH]c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)C(C#N)=C(N)O2 1066764 WEMVTEHVQLCPFC-ZDUSSCGKSA-N 369.337 2.388 50 40 FEGB O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)N/N=C/c1ccco1 6603114 LCLJZDMXGZZMMH-LICLKQGHSA-N 370.394 2.468 50 40 FEGB Cc1cccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3Cl)CC2=O)c1 7882455 GMUGJCLXJIJDMV-CYBMUJFWSA-N 371.824 2.463 50 40 FEGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)Cc2ccccc2OC)cc1 18070652 BGGGYQOJGFTEKR-CQSZACIVSA-N 372.421 2.251 50 40 FEGB O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc([N+](=O)[O-])o1 3331835 GJHBRHGIJSBHBK-UHFFFAOYSA-N 373.243 2.047 50 40 FEGB Cn1c(=O)n(C)c2cc(/C=N/NC(=O)c3ccccc3-n3cccc3)ccc21 408900156 SZTZFBWDQHEXQV-HYARGMPZSA-N 373.416 2.432 50 40 FEGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccccc2Cl)c1 4703127 FKDZMGBHOQYYGK-VXLYETTFSA-N 361.785 2.446 50 40 FEGB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)NNC(=O)c1ccccc1 5704509 XMWSQYUJDHTPKJ-UHFFFAOYSA-N 369.465 2.170 50 40 FEGB CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2cccs2)cc1 6358474 WAGQUXGNIKOGFD-UHFFFAOYSA-N 363.464 2.485 50 40 FEGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C3(CCN(CC)CC3)[C@@H]2C1 2729484 UARQCNKEXLABBE-GOSISDBHSA-N 364.497 2.140 50 40 FEGB Cc1cc(-c2ccc(/C=N/NC(=O)c3nonc3N)o2)c([N+](=O)[O-])cc1C 408720017 IVBWOVOUUHCVFA-CNHKJKLMSA-N 370.325 2.201 50 40 FEGB Cc1noc(CCCC(=O)NNC(=O)c2cc3c(s2)CCCCC3)n1 41687989 FYTJEQCEVAFHOP-UHFFFAOYSA-N 362.455 2.492 50 40 FEGB COc1ccc(CCN(C)C(=O)NNC(=O)c2ccoc2C)cc1OC 45129167 DRKCVIQTRWMMQZ-UHFFFAOYSA-N 361.398 2.134 50 40 FEGB O=C(NNS(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1O 14235820 RKBRMCLGNKFFIJ-UHFFFAOYSA-N 367.235 2.384 50 40 FEGB CC(=O)N1CCC(CCC(=O)NNC(=O)c2cccc(Cl)c2)CC1 72302684 YUJARMKRDSMFCT-UHFFFAOYSA-N 351.834 2.140 50 40 FEGB CS(=O)(=O)[C@@H](I)C(=O)c1ccc(Cl)cc1 96517914 SQVLKXBUPPMTAQ-SECBINFHSA-N 358.584 2.328 50 40 FEGB CCS(=O)(=O)N(CC(=O)NN=C1CCCCC1)c1ccc(OC)cc1 59490221 BWARECOGDWNYLD-UHFFFAOYSA-N 367.471 2.288 50 40 FEGB COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)N1CCOCC1 409234045 YDKKTMRKCILBSI-LGMDPLHJSA-N 355.438 2.451 50 40 FEGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCC(N)=O 39388790 LDYZGAKZFWWDTD-GDNBJRDFSA-N 371.437 2.305 50 40 FEGB Cc1c(C(=O)NNC(=O)c2cc3c(s2)CCC3)[nH]c2c1C(=O)CCC2 21782038 JXTAIKJJEFBOMY-UHFFFAOYSA-N 357.435 2.467 50 40 FEGB O=C(N/N=C/c1cccc(/C=N/NC(=O)c2ccncc2)c1)c1ccncc1 826705 GNDQMGOFWXAWPK-RNIAWFEPSA-N 372.388 2.004 50 40 FEGB CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)c2cccnc2)cc1 2371210 QRAMYZZJSALQKP-UHFFFAOYSA-N 356.451 2.328 50 40 FEGB C[C@H](NC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)c1ccccc1 408682704 GQIQWQFXPPMKOO-NRXNIXBFSA-N 364.239 2.435 50 40 FEGB C/C(=N\NC(=O)C(=O)Nc1ccccc1C)[C@H]1COc2ccccc2O1 4525368 QOQVYFRZRFLKIZ-VYVDHXHBSA-N 353.378 2.266 50 40 FEGB CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1O[C@@H](C)C(=O)O 4681537 KFESGQWFYSDPCJ-DQAKUKQTSA-N 372.377 2.407 50 40 FEGB COc1ccc(/C(C)=N/NC(=O)CNC(=O)c2ccccc2F)c(OC)c1 4859722 GWVNKLVHIPVYIP-WSDLNYQXSA-N 373.384 2.113 50 40 FEGB CCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2Cl)s1 408731697 PEHZNIYRRLQAJB-LZYBPNLTSA-N 351.819 2.233 50 40 FEGB Cc1ccc(OCC(=O)N/N=C2/SCC(=O)N2Cc2ccco2)cc1 33323931 QRGIPWJVKRXBCS-HTXNQAPBSA-N 359.407 2.130 50 40 FEGB Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2cccs2)cc1C 32119001 NRLNLSBRSCKQMV-UHFFFAOYSA-N 363.464 2.079 50 40 FEGB O=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)c1cncc(Br)c1 31870175 IDEJCQUEWBXXOH-BNCCVWRVSA-N 365.143 2.222 50 40 FEGB C/C(=N\NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1)c1cc([N+](=O)[O-])cs1 13562101 PKYYRKFTMSHZGK-DCSASFQGSA-N 372.406 2.026 50 40 FEGB CCCN1C(=O)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 6205008 PBTHYHKMGFGVCC-KNTRCKAVSA-N 352.350 2.486 50 40 FEGB O=C(N/N=C\c1ccccc1[N+](=O)[O-])N/N=C/c1ccccc1[N+](=O)[O-] 4706186 XALPGYJENPARFS-ZAGBYUSBSA-N 356.298 2.170 50 40 FEGB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2)c(C)c1 6607040 KEQJZHHKNLPWQI-UDWIEESQSA-N 373.478 2.383 50 40 FEGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCC(N)=O 4544408 LODZLZYFVMXWTI-LCESUFGFSA-N 371.437 2.161 50 40 FEGB Cc1ccc(-n2ncc3c(NNC(=O)[C@H](O)c4ccccc4)ncnc32)cc1 6660998 QXTYAWCVRFVJHK-QGZVFWFLSA-N 374.404 2.301 50 40 FEGB Cc1ccc(C)c(OCC(=O)NNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 15886361 QSOWLVKASKIQEP-CMDGGOBGSA-N 369.377 2.451 50 40 FEGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2ccc(C)cc2[nH]c1=O 876449 LIUZXZGYMKTZIC-QGZVFWFLSA-N 365.389 2.481 50 40 FEGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cccc3c2OCCO3)n1 813055 CSIKMEMFJANBQT-GIJQJNRQSA-N 358.423 2.107 50 40 FEGB O=C1C[C@@H](C2([C@@H]3CC(=O)OC3=O)c3ccccc3-c3ccccc32)C(=O)O1 627281283 KWAZRHYTFWYYEZ-HZPDHXFCSA-N 362.337 2.133 50 40 FEGB C[C@@H](Sc1nnnn1C1CC1)C(=O)C(C#N)=C1Nc2ccccc2N1 40009998 AQDHAVYWPYWRAM-SECBINFHSA-N 353.411 2.330 50 40 FEGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)/C=C/c2ccco2)c(C)c1 5961345 PLIIYNRFUHJJGY-SOFGYWHQSA-N 355.394 2.476 50 40 FEGB CCOC(=O)NNC(=O)c1cnn(-c2ccccc2)c1Br 95469364 DKSHVUGWICBLNS-UHFFFAOYSA-N 353.176 2.026 50 40 FEGB CCOC(=O)C[C@H](Br)[C@@H](Br)CC(=O)OCC 1654092 CLNFOLRUQAFJLZ-YUMQZZPRSA-N 360.042 2.420 50 40 FEGB CC(C)CC(=O)NNS(=O)(=O)c1c(F)cc(F)cc1Br 12776553 FNRDKMJZGMCDQG-UHFFFAOYSA-N 371.203 2.083 50 40 FEGB COc1cc(/C=N\NC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC 28616288 FXFIHLORKXIKNO-OCKHKDLRSA-N 358.350 2.205 50 40 FEGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccc(OC)cc1O 409392208 NZOTXXXJAQFTJE-UDWIEESQSA-N 354.362 2.185 50 40 FEGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(OCC(N)=O)cc1 809334 DIQNYXZDARQLBQ-KRWDZBQOSA-N 367.405 2.002 50 40 FEGB Cc1[nH]c2ccccc2c1/C=N\NC(=O)CNC(=O)c1ccccc1F 36077406 DEPPMRNWOVNEOM-YVNNLAQVSA-N 352.369 2.496 50 40 FEGB CC(C)=NNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 408783717 OSIARGMWQWBRRP-UHFFFAOYSA-N 352.243 2.271 50 40 FEGB C/C(=N\NC(=O)C(=O)Nc1ccccc1C)[C@@H]1COc2ccccc2O1 4525365 QOQVYFRZRFLKIZ-RSZPVBOMSA-N 353.378 2.266 50 40 FEGB C=C1C(=O)O[C@H]2/C=C(\CO)CC/C=C(\C=O)C[C@H](OC(=O)CC(C)C)[C@@H]12 67913424 XZPCFZLGAZNCOI-RNLXNODSSA-N 362.422 2.270 50 40 FEGB biogenic,in-vitro COc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408685633 POTCKRLTYBVZBJ-UQPQVDFHSA-N 366.211 2.205 50 40 FEGB C[C@H](C(=O)NNC(=O)c1cccc(Cl)c1)n1nnc(-c2ccccc2)n1 72301292 AJWHETHSJMKQMU-LLVKDONJSA-N 370.800 2.016 50 40 FEGB N#C/C(=C\c1ccc(OC(=O)c2ccco2)cc1)C(=O)N1CCOCC1 408761507 FHVPGTBKNBNPQP-NTCAYCPXSA-N 352.346 2.265 50 40 FEGB O=C(NNC(=S)Nc1ccc(F)cc1F)c1cc(O)ccc1[N+](=O)[O-] 1616016420 HELUBXHVKDRQEG-UHFFFAOYSA-N 368.321 2.210 50 40 FEGB CCOc1cccc(/C=N/NC(=O)c2cc(-c3cccn3C)n[nH]2)c1O 13570681 MCGWOUISYSTMOT-YBFXNURJSA-N 353.382 2.283 50 40 FEGB CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](CCc3ccccc3)[C@@H]2C1 804178 AUYWZVBGWIZYPZ-UXHICEINSA-N 371.444 2.424 50 40 FEGB CS(=O)(=O)N1CCc2cc(-c3csc(NC(=O)CCl)n3)ccc21 1365868 MEOHFKWPZYCTBV-UHFFFAOYSA-N 371.871 2.310 50 40 FEGB COc1ccc(C(=O)[C@H](Br)[C@H](Br)C(=O)O)cc1 1673793 ZLMNCWVKKNTEIG-BDAKNGLRSA-N 366.005 2.490 50 40 FEGB in-vitro Cn1/c(=N\NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)sc2ccccc21 102516714 RVBMNZAONITAMK-DYTRJAOYSA-N 374.510 2.456 50 40 FEGB O=C(NNC(=O)c1cccc(O)c1)/C(O)=C/C(=O)c1ccc(Cl)cc1 100932866 IOWFSUWXHXLNEO-DHDCSXOGSA-N 360.753 2.131 50 40 FEGB COC(=O)N1CC=C2[C@H](C1)[C@@H](c1cccc(C)c1)C(C#N)=C(N)C2(C#N)C#N 4473589 ZQSHQNSCVIUNIC-WMZOPIPTSA-N 373.416 2.487 50 40 FEGB CCCOc1ccc2ccccc2c1/C=N\NC(=O)CN1CCOCC1 409007385 OHGAUJUIILCCDN-STZFKDTASA-N 355.438 2.411 50 40 FEGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)C(=O)NCCCc1ccccc1 409237656 KODIDONBELIQAC-AQTBWJFISA-N 363.417 2.207 50 40 FEGB N#C/C(=C\c1cc(Cl)ccc1OCC(N)=O)C(=O)NCc1ccccc1 409217377 BWIHQFVOZNGLTH-OVCLIPMQSA-N 369.808 2.427 50 40 FEGB O=C(N/N=C/c1ccc(O)cc1O)c1cc(Br)ccc1O 2773838 BUCBVDMDGFRJDG-FRKPEAEDSA-N 351.156 2.330 50 40 FEGB C[C@@H]1CCCN(C(C)(C)CNC(=O)NNC(=O)c2ccc(C#N)cc2)C1 58377590 CAYLYWMNPAGYLO-CQSZACIVSA-N 357.458 2.013 50 40 FEGB CCn1c(C)cc2c(c1=O)[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 2226965 DFKGSPUKRMZICB-MRXNPFEDSA-N 367.405 2.412 50 40 FEGB CCCOc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1OCC 408861847 BGBZVMQGALFPER-CPNJWEJPSA-N 350.415 2.477 50 40 FEGB CCOc1ccc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1OC 408918107 GFUNFJCIWHTTNK-ZDLGFXPLSA-N 359.338 2.472 50 40 FEGB CCOC(=O)[C@@](NC(=O)CCl)(Nc1ccc(F)cc1)C(F)(F)F 2218180 TZOMGVOHUCIJOD-LBPRGKRZSA-N 356.703 2.414 50 40 FEGB Cc1ccc(C(=O)NNC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1 4966063 LIIRVMCPVAVHLF-UHFFFAOYSA-N 367.453 2.079 50 40 FEGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1 408609436 RHZVZLYTRKCLRL-WSDLNYQXSA-N 355.369 2.157 50 40 FEGB CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1O 408598650 HDEJHHUMZNHVNQ-RQZCQDPDSA-N 374.309 2.371 50 40 FEGB C[S@@](=O)c1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1 69181839 YGMCAKDPXPPCLR-VWLOTQADSA-N 353.403 2.047 50 40 FEGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(SC)cc2)cc1 59444305 DLVWJOIFAXOAEO-UDWIEESQSA-N 357.435 2.184 50 40 FEGB O=C(N/N=C/c1cccnc1)c1cccc(I)c1 59502269 MLRZARGUVZROKV-CXUHLZMHSA-N 351.147 2.450 50 40 FEGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](c1cccnc1)C(C#N)=C(N)O2 2350982 NLVQIZSMRAUGAR-KRWDZBQOSA-N 360.373 2.411 50 40 FEGB C=CCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc(C(=O)OC)cc2)C1=O 8993274 QCZPRKHQQMNREE-WJDWOHSUSA-N 351.362 2.164 50 40 FEGB CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)O)cc2)ccc1OC 409321451 HQBAHKGCTTUIJM-JAIQZWGSSA-N 372.377 2.321 50 40 FEGB O=C(CCc1nc2ccccc2s1)NNC(=O)c1ccc2c(c1)OCO2 8273622 URPIKXORLQSUTC-UHFFFAOYSA-N 369.402 2.419 50 40 FEGB O=C(Cc1nnc(NC(=O)CCl)s1)N/N=C/c1ccc(Cl)cc1 33550898 KKHHQRVUIDVLOD-FRKPEAEDSA-N 372.237 2.062 50 40 FEGB CN(C)C(=O)[C@@H]1CC[C@@](C)(C(=O)O)[C@]1(C)CI 4981886 QVZLRUVLDDIRGR-KPXOXKRLSA-N 353.200 2.017 50 40 FEGB Cc1cccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1 38173676 OQAGLONTNJBPKB-QGMBQPNBSA-N 373.325 2.079 50 40 FEGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cc(Cl)ccc1F 13001674 WGFORXKIWKKEJO-AWEZNQCLSA-N 350.733 2.080 50 40 FEGB CCOC(=O)COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1 409228374 XZZXLAZFESVFEN-MTJSOVHGSA-N 358.369 2.460 50 40 FEGB O=C(CN1CCOCC1)N/N=C/c1cc2ccc(Cl)cc2nc1Cl 59953585 URCYSQUIGHADQJ-DJKKODMXSA-N 367.236 2.324 50 40 FEGB O=C(O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1 100149785 OOBGVVFRNDCBEK-RHIYVLOFSA-N 354.189 2.355 50 40 FEGB C/C(CC(N)=O)=N\NC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 4525812 YOLZBMBTHDFLEE-UFWORHAWSA-N 359.213 2.080 50 40 FEGB COc1ccc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)cc1 1021889 CTGGBVWKAHLQRO-RHLNUJDMSA-N 351.406 2.161 50 40 FEGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3ccco3)CC2)c1 1103064 CNAKQDOPZIAGLO-DEDYPNTBSA-N 355.394 2.291 50 40 FEGB Cc1cccc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c1 19954819 WVHQUYMWHVTSSN-XDHOZWIPSA-N 359.451 2.220 50 40 FEGB O=C(Cn1nnc2ccccc21)NNC(=S)Nc1ccc(Cl)cc1 642420 WIYNYZRQQPVWQK-UHFFFAOYSA-N 360.830 2.103 50 40 FEGB COc1cc(/C=N/NC(N)=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 4196579 ZKFXEDFJHXYGKP-YBFXNURJSA-N 374.353 2.063 50 40 FEGB COc1ccc(Cl)cc1C(=O)NNC(=O)Cc1nc2ccccc2n1C 7738355 IVXGMTMMAXCTLG-UHFFFAOYSA-N 372.812 2.239 50 40 FEGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(C(=O)O)cc1 3089120 XELMDACJTAZYTO-DJKKODMXSA-N 359.769 2.435 50 40 FEGB COc1cccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1OC 8168760 IBQPBLWOAXJGOA-VRCTWVPOSA-N 367.405 2.207 50 40 FEGB COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)c2ccco2)cc1OC 100614065 LLXAJCCLEQVLKC-FYJGNVAPSA-N 373.409 2.152 50 40 FEGB COc1ccc(/C=N/NC(=O)CC#N)cc1Oc1nc(Cl)ncc1F 4950880 NHDVDOGZVZXFQX-IFRROFPPSA-N 363.736 2.434 50 40 FEGB O=C(CCc1cnn(-c2ccccc2)c1)NNC(=O)c1ccc(F)cc1 12752441 PKIGTYSNDANRHT-UHFFFAOYSA-N 352.369 2.405 50 40 FEGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C2=C1CC(C)(C)CC2=O 4517097 AXSTZJOYIUKAFF-JOCHJYFZSA-N 373.412 2.129 50 40 FEGB Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(N)=O 4205695 RJNGLPNZFYDAJF-GXDHUFHOSA-N 360.373 2.496 50 40 FEGB N#CC(C#N)=C(N)[C@@]1(C#N)[C@H](c2cccc(Br)c2)C1(C#N)C#N 6668819 RTZQLOXMTJQUPE-CZUORRHYSA-N 363.178 2.350 50 40 FEGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)c1O 18210756 CPZGCJAOFHGYEL-DJKKODMXSA-N 373.365 2.455 50 40 FEGB CC(C)NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1 83261722 MPWGASMCZVBVKU-NHDPSOOVSA-N 357.385 2.493 50 40 FEGB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(C)(C)CCl)n1 7420178 AMCNTTKAWBDAEF-UHFFFAOYSA-N 351.838 2.420 50 40 FEGB CN(CC(=O)N/N=C/c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 6544481 CYDMAEXJHOIBSX-WOJGMQOQSA-N 365.842 2.111 50 40 FEGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1OC 409318627 XOXDIXNOXZJABF-BKUYFWCQSA-N 368.389 2.488 50 40 FEGB O=C(N/N=C/c1ccc(Br)cc1)c1ccc(-n2cnnn2)cc1 6938155 GNCSCMYQRITJCC-RQZCQDPDSA-N 371.198 2.189 50 40 FEGB O=C(COc1ccc(F)cc1)N/N=C1/C(O)=Nc2ccc([N+](=O)[O-])cc21 7777321 DKGFPUKVMLMSHX-UHFFFAOYSA-N 358.285 2.235 50 40 FEGB CS(=O)(=O)[C@@H](I)[C@H](O)c1ccc(Cl)cc1 96519173 PXAXTLZYDOFACQ-RKDXNWHRSA-N 360.600 2.179 50 40 FEGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NC(=O)Nc1ccc(SC#N)cc1 16693802 JCDKAIKDEFXZOJ-ZSOIEALJSA-N 367.390 2.104 50 40 FEGB Cc1ccc(CN2CCN(CC(=O)N/N=C/c3cccs3)CC2)cc1 19366799 ZVGVEQOWNAAYNX-DEDYPNTBSA-N 356.495 2.324 50 40 FEGB C#CCOc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 3068020 DZMILEWJSJSNRX-XDHOZWIPSA-N 353.334 2.379 50 40 FEGB CN1c2ccccc2C2=C([C@H](c3cccnc3)C(C#N)=C(N)O2)S1(=O)=O 20558325 VGHWGXBAFCACFY-OAHLLOKOSA-N 366.402 2.038 50 40 FEGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(C)cc(C)c2[nH]c1=O 876512 SRWDAGRGARGVBO-MRXNPFEDSA-N 365.389 2.400 50 40 FEGB O=C(NCCSSCCNC(=O)c1cccnc1)c1cccnc1 3010342 UNESCJIZDYEVIW-UHFFFAOYSA-N 362.480 2.018 50 40 FEGB C=CCc1cc(/C=N/NC(=O)c2cccnc2)cc(OC)c1OCC(=O)O 59248362 DHQRYVPPRQBEBU-UFFVCSGVSA-N 369.377 2.046 50 40 FEGB O=C(NNC(=O)C1(c2ccccc2)CCC1)[C@H]1COc2ccccc2O1 25529571 NPTWFOUTRPPDTD-QGZVFWFLSA-N 352.390 2.096 50 40 FEGB C/C(=N\NC(=O)CNC(=O)c1cccc(Br)c1)c1ccco1 4844276 UMSJGLQWDLMTAE-VCHYOVAHSA-N 364.199 2.312 50 40 FEGB Cc1cccc(-n2nc(C(=O)N/N=C\c3ccco3)c(C)c(C#N)c2=O)c1 409065177 DWDOXBJDKKTZOO-NHDPSOOVSA-N 361.361 2.078 50 40 FEGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OC(C)=O 706369 XQPPLTBYFRXUTE-QGZVFWFLSA-N 354.362 2.435 50 40 FEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408726372 NHKXDQZZCXEPNE-CXUHLZMHSA-N 373.281 2.104 50 40 FEGB CCn1c(NNC(=O)Cc2cc(C)ccc2OC)nc2ccccc2c1=O 11160741 YQFKQUBLFMPIQT-UHFFFAOYSA-N 366.421 2.419 50 40 FEGB CC(=O)C1=C(O)C(=O)N(CCBr)[C@@H]1c1ccc([N+](=O)[O-])cc1 4954343 MKWWIDNVYLLTNN-GFCCVEGCSA-N 369.171 2.274 50 40 FEGB O=C(Cc1ccccc1)N/N=C\c1ccc(SCCO)c([N+](=O)[O-])c1 32124755 CXZIZHLHNKIKNO-PDGQHHTCSA-N 359.407 2.372 50 40 FEGB CC[C@H](CCC(=O)NNC(=O)c1ccccc1Br)C(=O)O 5024650 BQAJCDCZAPZMOD-SECBINFHSA-N 357.204 2.101 50 40 FEGB Cc1cc(/C=C/C(=O)NNC(=O)[C@H]2CCCO2)c(C)n1-c1ccccc1 32259466 GKOZJGQCJWNVKO-DOJUMQAQSA-N 353.422 2.434 50 40 FEGB CCc1ccc(C(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)cc1 6545836 NBUNEXKPYFUVIP-UHFFFAOYSA-N 364.405 2.054 50 40 FEGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)C(=O)NC(N)=O 409241422 XMKAKFZYYOZFNH-NVNXTCNLSA-N 365.345 2.066 50 40 FEGB Cc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 39986590 WPGKFEXIBGAXIL-UNOMPAQXSA-N 359.451 2.074 50 40 FEGB CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1cccs1 22001894 FJILUTIIONYDIP-CQSZACIVSA-N 363.464 2.226 50 40 FEGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1OC 2325580 MUCSWNVRALKJAQ-QGZVFWFLSA-N 367.405 2.319 50 40 FEGB CCOC(=O)COc1cc(/C=N\NC(=O)c2ccccc2)ccc1OC 409210757 GQLNHLJTVZWOCL-NDENLUEZSA-N 356.378 2.401 50 40 FEGB O=C(COc1ccc(F)cc1)NNC(=O)COc1ccccc1Cl 3441228 FTXUZGDTGGNVIN-UHFFFAOYSA-N 352.749 2.084 50 40 FEGB O=C(NNC(=O)c1ccccc1)C(=O)Nc1cccc(SC(F)F)c1 96013248 GWRJWWONUHTEBD-UHFFFAOYSA-N 365.361 2.401 50 40 FEGB COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)C(=O)NC(N)=O)o2)c1 409240643 USMCNIUJVMIWHT-GHXNOFRVSA-N 353.334 2.144 50 40 FEGB C[C@H]1CCc2c(C(=O)NNC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)csc2C1 225588052 CJLURVPBDUPPMU-WEIGREKKSA-N 374.462 2.157 50 40 FEGB CO[Si](CCCNC(=O)OC(C(F)(F)F)C(F)(F)F)(OC)OC 627276191 BBMZBXUJVVONOG-UHFFFAOYSA-N 373.322 2.474 50 40 FEGB CCN1CCC(=C2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(CC)C[C@@H]32)CC1 5488783 MHGRKGNFNCVFBB-KRWDZBQOSA-N 362.481 2.060 50 40 FEGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc1 3072715 IPSMGTQNBJRPHJ-RGVLZGJSSA-N 353.378 2.179 50 40 FEGB C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)C(=O)NC(C)(C)C 4474840 CXLUPBDMDISCIK-UFFVCSGVSA-N 366.849 2.384 50 40 FEGB O=C(CCl)NCc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 59086882 RJQKWVINJIVFDF-UHFFFAOYSA-N 364.854 2.293 50 40 FEGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3)CC2=O)c(C)c1 7928091 RJKPSQQLFVKYRM-MRXNPFEDSA-N 351.406 2.118 50 40 FEGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(CN2CCOCC2)cc1 23358540 JDMWMTZJRMUQRO-DEDYPNTBSA-N 368.393 2.191 50 40 FEGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21 1261422 DHHDQPGTSYENEI-JOCHJYFZSA-N 373.412 2.271 50 40 FEGB COc1cc(SC)ccc1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 3370698 UPACXODVWOQRJW-INIZCTEOSA-N 374.418 2.018 50 40 FEGB O=C(CNC(=O)c1ccccc1Br)N/N=C/c1ccccc1 2675691 XZOUOJWXBFTZBR-VXLYETTFSA-N 360.211 2.329 50 40 FEGB CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)c2ccncc2)c1 6358001 FGQAGOFZRWAYLR-UHFFFAOYSA-N 372.450 2.066 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1O[C@@H](C)C(=O)O 409017397 WHRAXYHUCAMGBA-VSMYLPJWSA-N 358.350 2.017 50 40 FEGB C/C(=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(O)cc1O 6014127 YVEGLTFRDYYIIN-PXNMLYILSA-N 360.282 2.068 50 40 FEGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2)c1O 18996496 RPJPXRQKCPMDCI-DHDCSXOGSA-N 362.389 2.417 50 40 FEGB O=C(CN1CCOCC1)N/N=C/c1ccc(OCc2cccc(F)c2)cc1 19851718 GQUYFCJSKFTBAK-LPYMAVHISA-N 371.412 2.187 50 40 FEGB O=C(NC(=S)NNC(=O)c1cc2ccccc2cc1O)c1ccco1 3226049 PUEYJNGKMSYHTI-UHFFFAOYSA-N 355.375 2.088 50 40 FEGB CCOc1cc(/C=N/NC(=O)C2CC2)ccc1OCC(=O)N1CCCCC1 6684266 IKOIFACRUBKCLD-FYJGNVAPSA-N 373.453 2.337 50 40 FEGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)ccc1O 9317614 WRGKREBLBFNTGT-MRXNPFEDSA-N 361.357 2.460 50 40 FEGB CCOC(=O)c1c(C)[nH]c(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c1C 33381693 ZPBTWEMPSIPYBV-NVMNQCDNSA-N 358.354 2.480 50 40 FEGB Cc1ccc(C)c(N2C[C@@H](C(=O)NNC(=O)c3ccccc3)CC2=O)c1 7882310 CCXPXPASOUWENB-INIZCTEOSA-N 351.406 2.118 50 40 FEGB C=CCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C 58911454 NBHHGSYCTHKMOM-WSDLNYQXSA-N 352.438 2.463 50 40 FEGB COc1cc(/C=N/NC(C)=O)ccc1OCC(=O)Nc1ccc(F)cc1 4545345 VQBDLRLOKXALMF-KEBDBYFISA-N 359.357 2.322 50 40 FEGB N[C@H](CC1=CN[C@@H]2C=CC=C[C@@H]12)C(=O)N/N=C/c1cccc2cccnc12 6780238 WJMXLVOIOVVTSF-DGVONHGASA-N 359.433 2.000 50 40 FEGB Cc1cc(/C=C(\C#N)C(=O)NC2=NCCS2)c(C)n1C[C@H]1CCCO1 96297601 UKVBNMHTBGITRC-HTRKUNOGSA-N 358.467 2.410 50 40 FEGB Nc1nnc(CC(=O)N/N=C\c2cccc(OCc3ccccc3)c2)s1 31839378 IDYPENDHVWHWEB-JAIQZWGSSA-N 367.434 2.392 50 40 FEGB CN(C)C(=O)[C@@H]1CC[C@@](C)(C(=O)O)[C@@]1(C)CI 13644698 QVZLRUVLDDIRGR-UWJYBYFXSA-N 353.200 2.017 50 40 FEGB CS(=O)(=O)[C@H](Br)C(=O)c1ccc(Br)cc1 96517825 UPWQWMKXWDWWLR-VIFPVBQESA-N 356.035 2.397 50 40 FEGB O=C(COc1ccccc1F)NNC(=O)c1ccc(Br)cc1 5557680 SIMKLHLUUBRENS-UHFFFAOYSA-N 367.174 2.428 50 40 FEGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 5380496 TWJLONUTALTQGP-LPYMAVHISA-N 353.422 2.488 50 40 FEGB COc1ccc(CC(=O)N/N=C\c2cccc(OC)c2OC)cc1OC 5514929 VBUWPUVGUWVRNI-NDENLUEZSA-N 358.394 2.414 50 40 FEGB CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1 29488907 NYYUTABEPVIGRU-UHFFFAOYSA-N 366.826 2.208 50 40 FEGB COc1ccc2[nH]c(SCC(=O)NNC(=O)c3cccs3)nc2c1 8216864 HVNZUSHGUYMVQU-UHFFFAOYSA-N 362.436 2.186 50 40 FEGB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NNC(=O)C1CC1 100422962 XTZREKZMVCDPQE-ZROIWOOFSA-N 355.423 2.324 50 40 FEGB CCCC[C@@H](CCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 2194249 DYJOOSJPTIKNIS-NSHDSACASA-N 351.359 2.027 50 40 FEGB Cc1cccc(OCC(=O)NNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 9229454 JWXUFRHHKKPHDL-JXMROGBWSA-N 355.350 2.143 50 40 FEGB CC1(CC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)OCCO1 408725913 NZVSOYQOJMORQD-WOJGMQOQSA-N 359.338 2.458 50 40 FEGB C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)OCCO2 5222271 VWKRJAIJGPTNPV-TYJAPOHBSA-N 354.362 2.138 50 40 FEGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1OC 13655751 OTDYLDGVJALXAR-MRXNPFEDSA-N 353.378 2.309 50 40 FEGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1cccc(OC)c1 642632 ZQVHNYQRPHHVCI-CQSZACIVSA-N 356.407 2.253 50 40 FEGB O=C(NCc1cccnc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl 3061797 KTZYEFAYHIUKPJ-AWQFTUOYSA-N 351.193 2.155 50 40 FEGB CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1O 409357754 RCSAHMYHYBYFRJ-QGMBQPNBSA-N 373.321 2.192 50 40 FEGB Cc1cc(C)c(NC(=O)CNC(=O)NNC(=O)c2ccccc2)c(C)c1 45127803 JFLDRXVEXPFDEI-UHFFFAOYSA-N 354.410 2.195 50 40 FEGB O=C(CCc1ccccc1)NN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 1443734 YOIITOJWTDBHDJ-MRXNPFEDSA-N 371.824 2.226 50 40 FEGB COc1cc(/C=C/C(=O)NNC(=O)c2ccccc2F)ccc1OCC#N 2627958 JWTYYPZFJMTOSV-VQHVLOKHSA-N 369.352 2.211 50 40 FEGB NNC(=O)Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 409137909 YNRMWFXFJJJZEK-UHFFFAOYSA-N 353.363 2.092 50 40 FEGB Cc1ccsc1/C=N/NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 408908986 ZQVAQOCGCPIYPI-VVBXCHJUSA-N 365.480 2.361 50 40 FEGB COc1ccc(C(=O)N/N=C/c2cc(OC)c3c(c2)OCO3)cc1OC 34185303 IQMLSOJWFDAERC-DJKKODMXSA-N 358.350 2.205 50 40 FEGB Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c(C)n1C1CC1 73054009 LSIYEKNWYSUYMC-UHFFFAOYSA-N 355.394 2.286 50 40 FEGB CN1C(=C(C#N)C(=O)COc2ccc(C(N)=O)cc2)N(C)c2ccccc21 31673501 JPGNNXSCFUCZHT-UHFFFAOYSA-N 362.389 2.055 50 40 FEGB COc1cccc(C(=O)NCC(=O)N/N=C/c2c(C)[nH]c3ccccc23)c1 2283797 LTKPGVQPWOADDE-SSDVNMTOSA-N 364.405 2.365 50 40 FEGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NC1CC1 408611973 SWPHCOMSHIZICF-SRZZPIQSSA-N 355.369 2.133 50 40 FEGB Cc1cc2c(c(=O)n1CCN(C)C)[C@H](c1cccc(F)c1)C(C#N)=C(N)O2 2245123 UCFRXXFVQHYRTM-QGZVFWFLSA-N 368.412 2.076 50 40 FEGB COc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc([N+](=O)[O-])c1O 409207152 PTKVFLKBFFUYAK-BUESGFEBSA-N 354.322 2.066 50 40 FEGB O=C(N/N=C/c1c(Cl)nc2ccccn2c1=O)c1ccc([N+](=O)[O-])cc1 3173218 MHXQVCUMJLJRJA-GIJQJNRQSA-N 371.740 2.020 50 40 FEGB O=C(COC(=O)/C=C/c1ccc(Cl)cc1)NNC(=O)c1ccccc1 6064996 PAPXONDYUZJUOA-DHZHZOJOSA-N 358.781 2.358 50 40 FEGB C/C(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)=N\NC(=O)c1cccnc1 6449874 OVCCAXKIRFLAFT-UDWIEESQSA-N 355.354 2.433 50 40 FEGB COc1ccc(CC(=O)N/N=C/c2cccc(OC)c2OC)cc1OC 4735441 VBUWPUVGUWVRNI-UDWIEESQSA-N 358.394 2.414 50 40 FEGB CCO[C@@]1(O)C(=O)[C@@]2(CBr)CC[C@H]1[C@]2(C)CBr 675029565 BIWONTPIKNWESF-PDEGPIFNSA-N 370.081 2.487 50 40 FEGB CCOc1ccc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 3184305 WDZSLTPLUUTORL-GIJQJNRQSA-N 357.322 2.486 50 40 FEGB Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)c3ccccc3F)ccc12 2658260 MVGPRHYYGVJRHD-UHFFFAOYSA-N 370.336 2.081 50 40 FEGB O=C(NN1C(=O)[C@H](Cl)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1O 1633507 MYLSRKKIVQKDRD-KGLIPLIRSA-N 361.741 2.136 50 40 FEGB Cc1nnc(N/N=C/c2ccc(N(CCCl)CCCl)cc2)n1N 4824342 DGBKMHFVOWRWBQ-VCHYOVAHSA-N 356.261 2.030 50 40 FEGB Cc1ccc(O)c(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1 408679875 FLBGXDSBWKUBFM-ZXNRBLBOSA-N 366.211 2.210 50 40 FEGB CC1=C(C(=O)OC(C)C)[C@]2(C(=O)Nc3cccc(C)c32)C(C#N)=C(N)O1 17143943 JJFXOMLHNYLUIJ-IBGZPJMESA-N 353.378 2.135 50 40 FEGB Cc1ccc(N2C(=O)C[C@@H](NNC(=O)c3cccc(Cl)c3)C2=O)cc1 100915494 CAPIUBCPHIZUBJ-OAHLLOKOSA-N 357.797 2.215 50 40 FEGB CN(C)C(=O)[C@H]1CC[C@@](C)(C(=O)O)[C@]1(C)CI 4981880 QVZLRUVLDDIRGR-JFUSQASVSA-N 353.200 2.017 50 40 FEGB NNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 36724762 NKPSRVICUUYUHA-UHFFFAOYSA-N 360.830 2.065 50 40 FEGB CC(C)=NNC(=O)Cc1c[nH]c2cccc(OC[C@H](O)CNC(C)(C)C)c12 4190418 ISSNVTYNIXRNQJ-OAHLLOKOSA-N 374.485 2.350 50 40 FEGB C/C(=N\NC(=O)COc1ccccc1C#N)[C@@H]1Cc2ccccc2C(=O)O1 98054220 FVOICJKRPCVBFK-ZFJBLLOBSA-N 363.373 2.211 50 40 FEGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3cccnc3)CC2)c1 1103066 VCZYZGYKLZBXSK-HYARGMPZSA-N 366.421 2.093 50 40 FEGB COc1cc(C(=O)NNC(=O)c2ccccc2O)ccc1OC(F)F 5172057 LTECDYBMHSIDDO-UHFFFAOYSA-N 352.293 2.077 50 40 FEGB CCc1sc(C(=O)NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1C 12675668 ILTBLGLGKXSKEO-LBPRGKRZSA-N 363.483 2.171 50 40 FEGB NC(=O)N/N=C/c1ccccc1OC(=O)c1cc2ccccc2oc1=O 4135345 NCOGMCFBHHKGAD-KEBDBYFISA-N 351.318 2.014 50 40 FEGB Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)[C@H](C)n1ccnc1 40144627 YVHIWCPQLFXQFI-ZDUSSCGKSA-N 364.833 2.413 50 40 FEGB CN(C)c1ccc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)cc1 4140681 ZTVFVOVIXWJPOR-MNOULKQQSA-N 364.449 2.219 50 40 FEGB Cc1cc2c(c(=O)n1CCO)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 4851028 AFHLLYRMMMWVAI-HNNXBMFYSA-N 357.797 2.021 50 40 FEGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccc(-n2cnnn2)c1 5680299 HKGMOGDWKIJYNP-XDHOZWIPSA-N 365.353 2.033 50 40 FEGB CCCOc1cccc(C(=O)NC(=S)NNC(=O)c2cccs2)c1 6593512 WXZVIDGFDDLDNY-UHFFFAOYSA-N 363.464 2.486 50 40 FEGB Cc1cc(C)cc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3)CC2=O)c1 7882602 UCBZHYCTGMBVTI-INIZCTEOSA-N 351.406 2.118 50 40 FEGB O=C(N/N=C/c1cccc(Br)c1)C(=O)N1CCCCCC1 59459695 VSZAHSDAFFWZMY-GZTJUZNOSA-N 352.232 2.302 50 40 FEGB CCOc1ccc(CC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 10475870 JRWFZWVICRUVPK-VXLYETTFSA-N 371.349 2.415 50 40 FEGB CCc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccc(C)c3)CC2=O)cc1 408614250 ADUMHJQUBNKQSM-KRWDZBQOSA-N 365.433 2.372 50 40 FEGB COc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1ccccc1C 13747158 RCFRTECSNNKBAF-KEBDBYFISA-N 356.382 2.023 50 40 FEGB COc1ccccc1/C=N/NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 8169068 HCEOAYZPQPFLEF-VPNURPJOSA-N 355.369 2.338 50 40 FEGB CC1(C)OC(=O)C(=C2[C@@H]3[C@@H]4[C@H]5C[C@@H]3[C@H]3[C@H]2[C@H]([C@H]4Br)[C@@H]53)C(=O)O1 101052467 RJGIOBOOMIYNRD-GACRTOPLSA-N 365.223 2.270 50 40 FEGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1ccc(N)cc1 100522775 KEJCEQHFBRUBKD-WSDLNYQXSA-N 368.393 2.175 50 40 FEGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1c[nH]nc1-c1ccccc1 3901806 DZCIFEJAFRDEQX-LSHDLFTRSA-N 365.368 2.096 50 40 FEGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(C)(=O)=O)c1 20060276 GOJGWUCATGGERI-YBFXNURJSA-N 363.414 2.050 50 40 FEGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCC(N)=O 408808692 MZKQAQODDJMVEQ-MDWZMJQESA-N 369.352 2.244 50 40 FEGB Cc1cccc(N2CCN(CCCNC(=O)/C(C#N)=C\C3CC3)CC2)c1 585079614 OFBRFVFMTNOHOM-CYVLTUHYSA-N 352.482 2.483 50 40 FEGB C=CCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C 58911456 XFCZJIKGUSMSHL-WSDLNYQXSA-N 352.438 2.463 50 40 FEGB COc1cc(/C=N/NC(=O)CC2(C)SCCS2)c(O)c([N+](=O)[O-])c1 409361109 GRHQETISTRVBLF-OVCLIPMQSA-N 371.440 2.345 50 40 FEGB O=C(O)c1ccccc1N[C@H]1SC(=O)N(CCBr)C1=O 12113062 XOAUKKXUBXKOKN-VIFPVBQESA-N 359.201 2.213 50 40 FEGB O=C(COc1ccccc1)N/N=C/c1ccc(I)o1 2674635 JOKSBCCTOSXSBW-OVCLIPMQSA-N 370.146 2.413 50 40 FEGB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NNC(=O)c1cccnc1 27633934 WMSBIFUBLWHXNE-UHFFFAOYSA-N 373.775 2.443 50 40 FEGB CCC(=O)NNc1nc2sc3c(c2c(=O)n1C)C[C@@](C)(CC)OC3 2208065 XSWOQPBOHOVXJR-MRXNPFEDSA-N 350.444 2.090 50 40 FEGB CC1(C)Oc2ccc(C(=O)NNC(=O)Nc3ccccc3)cc2NC1=O 15935952 DXCBYZAAFXEVCG-UHFFFAOYSA-N 354.366 2.263 50 40 FEGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)Cc1ccc2c(c1)OCO2 8114307 AFUZHCDMHKKJCV-CIAFOILYSA-N 366.373 2.129 50 40 FEGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2)cc1 21333773 NUALWJYJRGGEBO-HUUCEWRRSA-N 372.421 2.468 50 40 FEGB Cc1cccc(-c2nnc(SCC(=O)N/N=C/c3ccncc3)n2C)c1 2763372 KOBOSOMOPWCIHO-RGVLZGJSSA-N 366.450 2.428 50 40 FEGB Cc1nn(CC(C)C)c(Cl)c1C(=O)NNC(=O)c1ccccc1O 7039134 CGGVHNRIVJDZRK-UHFFFAOYSA-N 350.806 2.281 50 40 FEGB COc1ccccc1N1C(=O)CS/C1=C(/C#N)C(=O)NCc1ccco1 3220788 WGJMDSGAJCYIJO-AQTBWJFISA-N 369.402 2.420 50 40 FEGB NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3)o2)cc1 408896168 PRFRFYKZPFUZSV-UDWIEESQSA-N 369.402 2.358 50 40 FEGB Cc1cccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1 408767089 ISAULZDMIDAOMF-YBFXNURJSA-N 363.414 2.050 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)c(OC)c1 4838709 WNVDACQILBQDFV-RGVLZGJSSA-N 355.394 2.409 50 40 FEGB CCn1nnnc1SCC(=O)/C(C#N)=C1/Sc2ccccc2N1C 8746899 XKNCQQAIAPRVRR-GXDHUFHOSA-N 358.452 2.331 50 40 FEGB CC(=O)Nc1cccc(C(=O)N/N=C\c2ccc(N3CCOCC3)cc2)c1 33587778 GGPWYQODCMJKFV-STZFKDTASA-N 366.421 2.246 50 40 FEGB COc1ccccc1NCC(=O)NNC(=O)CCc1c[nH]c2ccccc12 12543643 IHFQVDNRIHSFDC-UHFFFAOYSA-N 366.421 2.369 50 40 FEGB C[C@H]1CCCN(C(C)(C)CNC(=O)NNC(=O)c2ccc(C#N)cc2)C1 58377591 CAYLYWMNPAGYLO-AWEZNQCLSA-N 357.458 2.013 50 40 FEGB C/C(CC(=O)Nc1cc(Cl)ccc1C)=N\NC(=O)C(=O)N1CCCC1 4888977 BSDMBVCHLIDPGA-UDWIEESQSA-N 364.833 2.092 50 40 FEGB C/C(=N/NC(=O)CC#N)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 18255015 QZWJELMLSRFEPV-KQHPRFTNSA-N 352.394 2.120 50 40 FEGB COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnc(C)s1 7192584 WVOSLEIYIZPIOX-UHFFFAOYSA-N 372.859 2.062 50 40 FEGB CCOc1ccccc1N(CC(=O)NN=C1CCCCC1)S(C)(=O)=O 408784161 SYIGQNNEKQKDBX-UHFFFAOYSA-N 367.471 2.288 50 40 FEGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccccn3)CC2)cc1 409005741 KRYOOHVOHXCNRV-HYARGMPZSA-N 366.421 2.093 50 40 FEGB C#CCOc1ccc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC 409132523 JXVAXWUJRIDPKF-LJQANCHMSA-N 363.417 2.437 50 40 FEGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 6376293 HAVJVSBYFUCREJ-SRZZPIQSSA-N 357.385 2.379 50 40 FEGB Cc1cc(C)nc(NNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)n1 32795911 XJMXSFZAFSFSEC-MRXNPFEDSA-N 365.437 2.078 50 40 FEGB C[C@H]1S/C(=C(\C#N)C(=O)NCc2ccco2)N(Cc2ccco2)C1=O 3270636 FDTWHEDENJIGRL-HKOCCSETSA-N 357.391 2.388 50 40 FEGB O=C(COc1ccccc1F)NNC(=O)CC1(C(=O)O)CCCCCC1 13252910 GHPYUXQOKHWXSQ-UHFFFAOYSA-N 366.389 2.167 50 40 FEGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 4657086 SOVISBCURZICPR-OLZOCXBDSA-N 368.817 2.066 50 40 FEGB CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 102198845 IWUZBHKQTZJZBT-SDADXPQNSA-N 356.422 2.268 50 40 FEGB COc1cc(Br)cc(/C=N/NC(=O)c2cccnc2)c1O 975874 GWJXIKILMZYZNJ-CAOOACKPSA-N 350.172 2.322 50 40 FEGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 28214064 UYTBSQYCSXGCTI-HSWQHBDASA-N 357.435 2.182 50 40 FEGB CCN1C(=O)/C(=N\NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc21 101206117 UNIYPCLIAOONKM-MNDPQUGUSA-N 352.350 2.404 50 40 FEGB COc1cc(/C=N/NC(=O)CC#N)ccc1OCc1ccc(C(=O)O)cc1 2309088 ZBVANGRFULBBAI-SRZZPIQSSA-N 367.361 2.336 50 40 FEGB CN1C(=O)[C@@]2(c3ccccc31)[C@@H]1CCCC=C1C(C#N)=C(N)C2(C#N)C#N 19816689 ZZDLIHXGIYUXEB-VFNWGFHPSA-N 355.401 2.411 50 40 FEGB C/C(=N\NC(N)=O)c1ccc(N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)cc1 103722963 OKZPTHMEONFRHS-QJQKFFLCSA-N 360.801 2.101 50 40 FEGB O=C(N/N=C/c1cccc(Br)c1)c1nc2ccccc2c(=O)[nH]1 4865257 PKEHPWVKTCIEPA-GIJQJNRQSA-N 371.194 2.450 50 40 FEGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3cccnc3)CC2)cc1 409006912 SKFMWDWIYVSWIE-HYARGMPZSA-N 366.421 2.093 50 40 FEGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CC#N)cc1 409009636 HDPVIRGFSMFNEL-CIAFOILYSA-N 350.378 2.376 50 40 FEGB O=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 12338829 GSMLKIZHAYRAHI-DJKKODMXSA-N 350.334 2.275 50 40 FEGB COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1ccccn1 409093989 CEYXPUNREURCBK-FYJGNVAPSA-N 354.410 2.463 50 40 FEGB Cc1ccc(SCC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1 408775738 KKIIQNSXTKMZSM-KEBDBYFISA-N 357.435 2.102 50 40 FEGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(OC)c2c1OCO2 15085614 BCOHJWMUMDSVSI-CQSZACIVSA-N 370.361 2.247 50 40 FEGB NC(=O)N1CCC[C@H](C(=O)NN=C(c2ccccc2)c2ccccc2)C1 32768100 BMHNBZQUNBGVCX-KRWDZBQOSA-N 350.422 2.346 50 40 FEGB CCOC(=O)Cc1[nH]nc2c1[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 809328 YZHWWHCZKGKGJX-CQSZACIVSA-N 358.785 2.387 50 40 FEGB O=C(C[S@](=O)C/C=C/c1ccccc1)NNC(=O)c1ccc(F)cc1 69492942 KCNPWJKEWZNWIV-OGPASDKVSA-N 360.410 2.049 50 40 FEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1Cl 47081120 IKTZVSUYXKRHOF-GFCCVEGCSA-N 357.797 2.154 50 40 FEGB C[C@@H](Oc1ccccc1)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl 840364 REJZLXJLHRNXMA-SNVBAGLBSA-N 363.757 2.477 50 40 FEGB COc1ccccc1C(=O)NCC(=O)N/N=C/c1c(C)[nH]c2ccccc12 1955541 FAFDVKMSRNPUFS-SSDVNMTOSA-N 364.405 2.365 50 40 FEGB CCCCCCC(=O)NN/C(CC)=C1\C(=O)NC(=O)N(CCCC)C1=O 9317824 GVLKRNSPGMTHFF-FYWRMAATSA-N 366.462 2.120 50 40 FEGB CN(C)c1cccc(OCC(=O)N/N=C\c2ccc(N3CCCC3)o2)c1 408854350 CYXHSIQJPMDDKD-MOSHPQCFSA-N 356.426 2.475 50 40 FEGB CCOc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCCOC)cc1 36646327 STKLDROGDNQZDI-KRWDZBQOSA-N 358.394 2.357 50 40 FEGB C[C@H](Sc1nnnn1C1CC1)C(=O)C(C#N)=C1Nc2ccccc2N1 40009997 AQDHAVYWPYWRAM-VIFPVBQESA-N 353.411 2.330 50 40 FEGB Cc1cccc(C)c1N1/C(=N\C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@H]21 101310034 BEFIFTMSGVLPDG-QIDLRVTFSA-N 372.899 2.144 50 40 FEGB COC(=O)COc1cccc(/C=N/NC(=O)COc2ccccc2C)c1 408861774 AJCZAUYXSHXUAB-RGVLZGJSSA-N 356.378 2.076 50 40 FEGB O=C(NNC(=O)c1cc2c(s1)CCCC2)c1ccc2c(c1)OCCO2 14238631 SANSZXVCIQPOQH-UHFFFAOYSA-N 358.419 2.473 50 40 FEGB C/C(=N\NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccccc1 408922512 OTYSIKVOXFCFTF-FHHIAAGZSA-N 359.451 2.382 50 40 FEGB CCc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(C)cc3)CC2=O)cc1 8353867 LTFYJQPZTWKHCR-KRWDZBQOSA-N 365.433 2.372 50 40 FEGB O=C(CCc1nc2ccccc2[nH]1)NNC(=O)Cc1c[nH]c2ccccc12 10889648 HNZGAARIXVVSOF-UHFFFAOYSA-N 361.405 2.367 50 40 FEGB C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 2101861 GDVDDOKTAMPKPA-MUOOZZNISA-N 358.310 2.421 50 40 FEGB CCOc1ccccc1OCC(=O)NNC(=O)/C(C#N)=C\c1ccccc1 6489728 FKVXOAOWMLSJES-VBKFSLOCSA-N 365.389 2.219 50 40 FEGB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccccc1O 8735515 UEHMYJVRCREWQE-JTQLQIEISA-N 361.379 2.242 50 40 FEGB COc1ccc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 409258503 VHBDSPLLBGOQFT-RANIVTSPSA-N 367.405 2.207 50 40 FEGB Cc1sc2ncnc(SCC(=O)NNC(=O)c3ccco3)c2c1C 4188030 NDCJQLUWYFVSFE-UHFFFAOYSA-N 362.436 2.454 50 40 FEGB Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2cncn2-c2ccccc2)c1 7131932 VCLRTHAVAOWZMZ-UHFFFAOYSA-N 370.434 2.112 50 40 FEGB COc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(OC)c3)CC2=O)cc1 409161999 YHYHFSRYMGZITI-OFNOZLENSA-N 367.405 2.207 50 40 FEGB Cc1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)sc2ncnc(N)c12 408972459 CEGIVNPGBHXBOU-KPSZGOFPSA-N 356.367 2.254 50 40 FEGB O=C(N/N=C\c1cc2c(cc1Cl)OCO2)c1cc([N+](=O)[O-])ccc1O 35189645 QCNJDWTYWQLXJI-FMQZQXMHSA-N 363.713 2.446 50 40 FEGB Cc1ccc(C(=O)CCC(=O)OCC(=O)NNC(=O)c2cccs2)cc1 5884939 SFGGABJIJACRJI-UHFFFAOYSA-N 374.418 2.024 50 40 FEGB COc1cc([C@H]2C(C#N)=C(C)Nc3nc(N)nc(N)c32)cc(OC)c1OC 1608245 JTXBAZMPUMUOIV-ZDUSSCGKSA-N 368.397 2.022 50 40 FEGB COc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCC#N 59334415 ABSJPKYSSDNJFK-WDZFZDKYSA-N 364.199 2.355 50 40 FEGB CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)ccc1O 409363423 LTHRGMQZVRWFDP-NDENLUEZSA-N 356.378 2.255 50 40 FEGB COc1cc(OC)c(OC)cc1/C=N\NC(=O)[C@@H]1OCCc2ccccc21 26503674 SHHLWNKKPBKUNS-GFIJVFARSA-N 370.405 2.477 50 40 FEGB Cn1ccnc1/C(=N\NC(=O)c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 4864831 WOJFUXKDRZQRIC-SILNSSARSA-N 365.349 2.216 50 40 FEGB COc1ccc(OC)c(/C=N\NC(=O)C(=O)N[C@H](C)c2ccccc2)c1 32119744 REIBAJLXRQKYMS-UAAGNOOKSA-N 355.394 2.031 50 40 FEGB CC(C)NS(=O)(=O)C[C@@]1(C)[C@H]2CC[C@@]1(C)C(=O)[C@H]2Br 261361217 LHRRJWWOLCXNLP-UKJIMTQDSA-N 352.294 2.083 50 40 FEGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2OC)cc1 3570167 ICJSPPSQKWHHLK-NTEUORMPSA-N 352.346 2.315 50 40 FEGB O=C(N/N=C/c1coc2c(Cl)cc(Cl)cc2c1=O)[C@@H]1CCCN1 5577033 XOKJENVDTYYODU-VNHJGTEPSA-N 354.193 2.302 50 40 FEGB COc1ccc(CC(=O)N/N=C\c2ccccc2OCC#N)cc1OC 409363381 LMAYNIZXDGVMGE-BKUYFWCQSA-N 353.378 2.299 50 40 FEGB O=C(CSCc1ccccc1)N/N=C/c1ccc(N2CCOCC2)o1 409000915 YZVBUPMZNJZVCM-XDHOZWIPSA-N 359.451 2.500 50 40 FEGB Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3c(C)nn(C)c3F)c2)n1 252484765 GHAGCLAQDSFIQH-UFFVCSGVSA-N 368.416 2.493 50 40 FEGB NC(=O)c1cc2ccccc2o/c1=N\NC(=O)COc1ccc(Cl)cc1 868246 ZOMZUKBSSMILJF-PYCFMQQDSA-N 371.780 2.196 50 40 FEGB COc1ccc(Br)c(C(=O)NNC(=O)c2ccccc2O)c1 5392489 RRPDVIWFQMGCQT-UHFFFAOYSA-N 365.183 2.238 50 40 FEGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2F)cc1 8561972 WURPPFXTTZZRPU-UHFFFAOYSA-N 373.384 2.404 50 40 FEGB C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1 12857205 MLRFHLXUWNTZQF-QGZVFWFLSA-N 368.389 2.431 50 40 FEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1OC 59515625 CPEUYHGGMFAPGS-DEDYPNTBSA-N 353.378 2.349 50 40 FEGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccccc2F)cc1 59246449 DXJJJUUZTQXLJC-XKZIYDEJSA-N 371.412 2.187 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c(OC)c1 2055541 YRPDTKXNPDJRAL-DZUMZMOTSA-N 355.394 2.031 50 40 FEGB Cn1cc(Br)cc1C(=O)NNC(=O)c1c(F)cccc1F 32902744 UJNYJZGPPVZCLR-UHFFFAOYSA-N 358.142 2.141 50 40 FEGB O=C(NNS(=O)(=O)c1cc(F)cc(F)c1)c1cc2c(s1)CCC2 12853174 IRYRYTZUPRRLNS-UHFFFAOYSA-N 358.391 2.138 50 40 FEGB COc1cc(/C=N/NC(C)=O)ccc1OCC(=O)Nc1ccccc1C 409009975 ASWWZNGGIVYJKW-RGVLZGJSSA-N 355.394 2.491 50 40 FEGB COc1cccc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)c1OC 3235749 SCVRBGPXOXWERZ-UFWORHAWSA-N 356.304 2.069 50 40 FEGB O=C(NNC(=O)c1cc(Cl)ccc1O)c1ccc(Br)o1 10623027 SEZWJFOFQXSYTP-UHFFFAOYSA-N 359.563 2.476 50 40 FEGB C[C@@H](Oc1ccc(/C=N/NC(=O)c2cccc(N(C)C)c2)cc1)C(=O)O 33957552 VCDNNNTUAATNKF-HMHKGCENSA-N 355.394 2.368 50 40 FEGB NNC(=O)c1ccc(OCc2ccccc2)c(I)c1 136102036 WDZHMGTWNLBQIK-UHFFFAOYSA-N 368.174 2.474 50 40 FEGB O=C(NN1C(=O)[C@@H](Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1O 1633504 WTESRMWBOCISMY-KBPBESRZSA-N 361.741 2.136 50 40 FEGB Cc1c(C(=O)N/N=C/c2cccs2)nn(-c2ccccc2)c(=O)c1C#N 409061904 JWPWJYAJJFPULU-RGVLZGJSSA-N 363.402 2.238 50 40 FEGB C#CCOc1ccccc1C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5649159 HKNLHFLYDTXCNO-UHFFFAOYSA-N 356.294 2.272 50 40 FEGB CCc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3F)CC2=O)cc1 8273723 KQXPFWNUWYNHDB-CQSZACIVSA-N 369.396 2.202 50 40 FEGB Cn1cccc1/C=N/NC(=O)c1ccc(I)c(O)c1 409102279 YLZRKIRKCRRQCS-OVCLIPMQSA-N 369.162 2.099 50 40 FEGB CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCl)c1 1116434546 XSRUWAPLAVLGBX-NBVRZTHBSA-N 357.863 2.457 50 40 FEGB N#C/C(=C\c1cc(Br)c(Sc2ncccn2)o1)C(N)=O 3771860 FGHVSEDDEUCRKW-QPJJXVBHSA-N 351.185 2.376 50 40 FEGB COc1ccc(CC(=O)N/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)cc1 408949901 SPWBBXNNOXLIDY-DZUMZMOTSA-N 356.378 2.240 50 40 FEGB Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2sc(=S)n(C)c2C)c1 16847559 VZEYTOXJJOTBQF-UHFFFAOYSA-N 371.509 2.365 50 40 FEGB O=C(NNC(=O)[C@H]1CCCO1)c1ccc2noc(-c3ccccc3)c2c1 32258784 DXOISAPMBGPUJY-MRXNPFEDSA-N 351.362 2.435 50 40 FEGB COc1ccc(CCNCCC(=O)N/N=C/c2ccc(O)cc2)cc1OC 18192339 IDNLXPSCVHZRQJ-HYARGMPZSA-N 371.437 2.082 50 40 FEGB O=C(NNC(=O)c1cnccn1)c1ccc(Oc2ccc(F)cc2)cc1 12783604 LLAMFIVCNIYYIC-UHFFFAOYSA-N 352.325 2.483 50 40 FEGB COc1cccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 4695814 DIIQGPVYROCLLQ-LICLKQGHSA-N 358.310 2.204 50 40 FEGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(CN2CCOCC2)cc1 408773711 SGHWJIJGHFDWAM-CIAFOILYSA-N 367.405 2.011 50 40 FEGB CNC(=O)/C(C#N)=C/c1c(N2CCCCCC2)nc2c(C)cccn2c1=O 2201669 FCMMUXSCCHFSGH-NTCAYCPXSA-N 365.437 2.036 50 40 FEGB COc1ccc(N([C@@H](C)C(=O)NN=C2CCCCC2)S(C)(=O)=O)cc1 19953681 SUCMBNCBCXYMKK-ZDUSSCGKSA-N 367.471 2.286 50 40 FEGB Cc1c(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)sc2cccc(F)c12 8767817 NBFPFIGBUIJKEK-LLVKDONJSA-N 370.471 2.455 50 40 FEGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)OC)NC(=O)[C@H]1C#N 1245102 XVCBYHOUYXCIKS-LRDDRELGSA-N 371.418 2.080 50 40 FEGB O=C(N[C@H]1CCS(=O)(=O)C1)NN(Cc1ccccc1)c1ccccc1 42869561 YXNPOKTYKMIPIN-INIZCTEOSA-N 359.451 2.095 50 40 FEGB COc1cccc(OC)c1OCC(=O)N/N=C/c1ccc(N(C)C)cc1 1258956 KHQIKEUKSIMJCU-UDWIEESQSA-N 357.410 2.299 50 40 FEGB COCCOCCOCCOCCCCCC[Si](OC)(OC)OC 198117198 XOEWXSBOLAFSJB-UHFFFAOYSA-N 368.543 2.121 50 40 FEGB Cc1nn(CCC#N)cc1/C=N/NC(=O)CSc1nc2ccccc2[nH]1 3167174 AFGRPMJGICSRFQ-DJKKODMXSA-N 367.438 2.224 50 40 FEGB COc1cccc(CC(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c1 17519176 CNPPXPVGBDFTSH-UHFFFAOYSA-N 350.378 2.089 50 40 FEGB Cc1cccc(OCC(=O)NNC(=O)COc2ccc(F)cc2Cl)c1 12738175 PBMKZRLCDDGDJE-UHFFFAOYSA-N 366.776 2.393 50 40 FEGB O=C1N[C@H]2CS[C@@H](CCCCC(=O)Oc3ccc([N+](=O)[O-])cc3)[C@@H]2N1 5675615 YUDNXDTXQPYKCA-KCQAQPDRSA-N 365.411 2.226 50 40 FEGB in-vitro C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)C[C@@H](OC(=O)CC(C)C)[C@@H]12 958318599 XZPCFZLGAZNCOI-ZHALLVOQSA-N 362.422 2.270 50 40 FEGB biogenic,in-vitro CCOc1cc(/C=N/NC(=O)c2cc(-c3cccn3C)n[nH]2)ccc1O 8569206 CXDWXJMXOYMVIO-YBFXNURJSA-N 353.382 2.283 50 40 FEGB CC(C)n1nc(C(=O)NNC(=O)c2cccs2)c2ccccc2c1=O 12692326 QRQXWGKNCKOWIB-UHFFFAOYSA-N 356.407 2.114 50 40 FEGB CCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cccs2)cc1 2316520 RPPNZPPBWYVRPQ-UHFFFAOYSA-N 363.464 2.486 50 40 FEGB CCOc1ccc(N([C@H](C)C(=O)NN=C2CCCC2)S(C)(=O)=O)cc1 6155651 MCHBXYVZSXOPAR-CYBMUJFWSA-N 367.471 2.286 50 40 FEGB CC1(C)[C@@H](C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccccc2)CC[C@]1(C)C(=O)O 4953912 APRQOBUSTWEJQX-RDNQGFKOSA-N 358.438 2.465 50 40 FEGB COc1ccccc1OCC(=O)NNC(=S)NCCCc1ccccc1 408585023 ARIXWULJYFSATB-UHFFFAOYSA-N 373.478 2.202 50 40 FEGB CC(C)c1n[nH]c(SCC(=O)NNC(=O)c2ccccc2Cl)n1 9953550 PVIJDFBOIAYGAF-UHFFFAOYSA-N 353.835 2.135 50 40 FEGB Cc1cc(/C=C(C#N)/C(O)=N/S(C)(=O)=O)c(C)n1C[C@@H]1CCCO1 48479517 OJEJEWBSHKUTIQ-NHXNDTTKSA-N 351.428 2.107 50 40 FEGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC#N 6580952 CUMRLADUFFSPFG-YBFXNURJSA-N 354.322 2.270 50 40 FEGB CC(C)NC(=O)COc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1 58882744 DUVTXRMKSKRLOW-BKUYFWCQSA-N 353.422 2.283 50 40 FEGB CCn1c(C)cc2c(c1=O)[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 2226963 DFKGSPUKRMZICB-INIZCTEOSA-N 367.405 2.412 50 40 FEGB CCCn1nc(C(=O)N/N=C/c2ccc(O)cc2)c2ccccc2c1=O 6508018 CJXBVHIFQZYJPO-UDWIEESQSA-N 350.378 2.276 50 40 FEGB N#C/C(=C\c1c(F)c(F)c(F)c(F)c1F)c1nn(CCO)c(N)c1C#N 408719126 JPHOWBQYGRUZNQ-ZZXKWVIFSA-N 369.253 2.089 50 40 FEGB C[C@]1(Br)[C@@H](Br)CS(=O)(=O)[C@H]1Br 253476047 PRHKXBMDBZJYQR-LMVFSUKVSA-N 370.888 2.053 50 40 FEGB CC(C)NS(=O)(=O)C[C@]1(C)[C@H]2CC[C@@]1(C)C(=O)[C@H]2Br 261361218 LHRRJWWOLCXNLP-XRRVDJEJSA-N 352.294 2.083 50 40 FEGB O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1ccccn1 20130526 AGUZXSOFCZCLOR-LPYMAVHISA-N 371.872 2.003 50 40 FEGB CCN1C(=O)N2[C@@H](OC)c3ccccc3[C@H](Br)[C@]2(OC)C1=O 1630683 IKPLENIVMBEZNR-HUBLWGQQSA-N 369.215 2.408 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1O[C@H](C)C(=O)O 409017398 WHRAXYHUCAMGBA-VURRPDKYSA-N 358.350 2.017 50 40 FEGB CCCc1[nH]nc2c1[C@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 18176117 RWKXJNWNTFOJQN-CYBMUJFWSA-N 371.353 2.203 50 40 FEGB CCOc1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1O 245227521 IPMUZUIAFNMIPQ-UHFFFAOYSA-N 359.338 2.228 50 40 FEGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(Br)o1 1092731 QCFFXZCNSLADHW-VIZOYTHASA-N 368.143 2.479 50 40 FEGB CC1(C)OC(=O)C(=C2[C@@H]3[C@H]4[C@@H]5[C@@H]2[C@H]2[C@@H]3C[C@H]4[C@H]2[C@@H]5Br)C(=O)O1 102939246 XTUXTICCGOUWQU-BUUYFFJDSA-N 365.223 2.270 50 40 FEGB O=C(COC(=O)c1ccc(Cl)nc1)NNC(=O)c1ccc(Cl)cc1 10806092 FUVXAOMTIXFEQJ-UHFFFAOYSA-N 368.176 2.006 50 40 FEGB COc1cc([C@H]2c3cc(O)c(OC)cc3C=C(C=O)[C@H]2CO)ccc1O 14435296 PATMJUOZIPKVAS-QRWLVFNGSA-N 356.374 2.451 50 40 FEGB biogenic CCCOc1ccc(/C=N/NC(=O)c2nn(C)c(=O)c3ccccc23)cc1 7699030 VDLGQBMGRJBXKW-FYJGNVAPSA-N 364.405 2.486 50 40 FEGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccc(F)c3)CC2=O)cc1C 408615407 PXTAWVQIRXCPDL-OAHLLOKOSA-N 369.396 2.257 50 40 FEGB COc1ccc(OCC(=O)N/N=C\c2ccc(N3CCOCC3)cc2)cc1 35712539 OHJHQBUOOUYNSG-STZFKDTASA-N 369.421 2.061 50 40 FEGB Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)CC2=O)cc1 826021 ZCMOGMGGCGXSIJ-BBJIBYMTSA-N 366.377 2.406 50 40 FEGB CCCOc1ccc(C(=O)CCC(=O)NNC(=O)c2ccncc2)cc1 12896200 RTZPGVHQJRIETG-UHFFFAOYSA-N 355.394 2.295 50 40 FEGB O=C(CCl)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2799147 MSWLLKPVXVYPBJ-UHFFFAOYSA-N 361.788 2.061 50 40 FEGB C[C@@H](Oc1cccc(Br)c1)C(=O)N/N=C/c1cnn(C)c1 2349904 YRHBGASQYBJVPF-JYMRLUDQSA-N 351.204 2.100 50 40 FEGB COc1ccc(C(=O)NNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 3408780 NMVDJBQJPOLAAN-GOSISDBHSA-N 370.405 2.328 50 40 FEGB CCN(CC)c1ccc(O)c(/C=N/NC(=O)C(=O)N2CCCCCC2)c1 4608452 PINAXMDXRTYVMP-XSFVSMFZSA-N 360.458 2.091 50 40 FEGB C[C@H](NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)c1ccccc1 408682706 GQIQWQFXPPMKOO-VTRREXMMSA-N 364.239 2.435 50 40 FEGB N#CC(C#N)=C(N)/C(C#N)=C/c1cccc(/C=C(\C#N)C(N)=C(C#N)C#N)c1 100252841 YGTRHZRYWRLODR-IAGONARPSA-N 362.356 2.020 50 40 FEGB O=C(N/N=C/c1ccc(O)cc1O)C(O)(c1ccccc1)c1ccccc1 704209 CUWYSMUJCLQTJA-HYARGMPZSA-N 362.385 2.484 50 40 FEGB C[C@H]1CCc2c(C(=O)NNC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)csc2C1 102207208 CJLURVPBDUPPMU-CKJIYCFSSA-N 374.462 2.157 50 40 FEGB CC(C)COc1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 3423461 NBAFOUNVOOROSX-GOSISDBHSA-N 370.405 2.322 50 40 FEGB O=C(NNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1O 7415906 ATAMITQVFKEYCX-UHFFFAOYSA-N 360.313 2.034 50 40 FEGB C/C(CC(=O)NC[C@H]1CCCO1)=N\NC(=O)Cc1ccc(Cl)cc1 101537781 GKYSILXFCJEMGC-RVZJCZPVSA-N 351.834 2.060 50 40 FEGB C=CCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 59960668 DUKDBSHYELUKOP-SRZZPIQSSA-N 358.829 2.500 50 40 FEGB CC(C)CNC(=O)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 58914331 BSQRAXOUFNEJMT-GRSHGNNSSA-N 358.354 2.077 50 40 FEGB CC(C)[C@H](OC[C@H]1CCCO1)C(=O)N/N=c1/sc2ccccc2n1C 103937624 BAOVEDRCJKYZOZ-ZFUGZCFHSA-N 363.483 2.392 50 40 FEGB C/C(=N\NC(=O)CC#N)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643622 CILJXRWGGDUSPW-LPYMAVHISA-N 360.373 2.450 50 40 FEGB CCOc1ccc(C(=O)N/N=C/c2cc(OC)cc([N+](=O)[O-])c2O)cc1 20763730 MVAJJCVSNZDYDV-VCHYOVAHSA-N 359.338 2.472 50 40 FEGB N#Cc1c(N2CCCCC2)nc(N)c2c(N)nc3c(c12)C[C@@H](CCl)O3 12504773 XBQTYQLALGALGP-VIFPVBQESA-N 358.833 2.198 50 40 FEGB COc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1ccc(C)c(C)c1 8550688 RGDZSKDSMZOOFB-UHFFFAOYSA-N 369.421 2.492 50 40 FEGB COc1ccc(NC(=S)NNC(=O)COc2cccc(N(C)C)c2)cc1 408587337 UAWVOBKWUYHOCW-UHFFFAOYSA-N 374.466 2.158 50 40 FEGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCC(=O)c1cccs1 6404850 KVZHHWOWSKDSTP-LLVKDONJSA-N 364.398 2.465 50 40 FEGB N#C/C(=C\c1ccc(OCC(N)=O)c(Cl)c1)C(=O)NCc1ccccc1 409223964 HXCUMHQCJKXSQB-OVCLIPMQSA-N 369.808 2.427 50 40 FEGB CCCn1c(O)c(C(=O)NNC(=O)c2ccccc2)c(=O)c2ccccc21 5509320 XBROYTZNFHAENF-UHFFFAOYSA-N 365.389 2.192 50 40 FEGB O=C(O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)c1 103090366 ASVKLUWKYSBFHR-GRRRKWKPSA-N 354.189 2.355 50 40 FEGB COc1cccc(-c2nc(C(=O)NNC(=O)c3ccco3)cs2)c1OC 12907670 AYUKBSCCDQPFFP-UHFFFAOYSA-N 373.390 2.495 50 40 FEGB Cc1cccc(NC(=O)CSCC(=O)NNC(=O)c2ccoc2C)c1 8351084 SQSXBRPCHLWXCM-UHFFFAOYSA-N 361.423 2.029 50 40 FEGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc2c(c1)OCO2 3168919 AODYQCBFWHSAHA-UFWORHAWSA-N 359.769 2.466 50 40 FEGB O=C(N/N=C\c1ccc(Br)o1)[C@@H]1COc2ccccc2O1 13152507 JDXIZYHPMLDQPR-VQZCYCSMSA-N 351.156 2.332 50 40 FEGB CN1CCN(C(=S)SCC(=O)C(C#N)=C2Nc3ccccc3N2)CC1 19798914 OKLUELPVNYWQEV-UHFFFAOYSA-N 373.507 2.094 50 40 FEGB Cc1cc(C(=O)N/N=C2/C(=O)N(CCc3ccccc3)c3ccccc32)[nH]n1 100151257 NOGZPHSWNCPRDC-LYBHJNIJSA-N 373.416 2.442 50 40 FEGB O=C(NN[C@H]1CC(=O)N(c2ccccc2Cl)C1=O)c1cccc(F)c1 101210432 ZJVYSXQLXJTGET-ZDUSSCGKSA-N 361.760 2.046 50 40 FEGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c1 2147678 OSUDESFXFDXQPA-RGVLZGJSSA-N 355.394 2.409 50 40 FEGB CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccccn2)cc1 4600955 ZQUKLYUGCYOOQQ-YDZHTSKRSA-N 367.409 2.103 50 40 FEGB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)CCl)cc2)s1 80338828 HWOKPEPYENEGMT-UHFFFAOYSA-N 360.848 2.079 50 40 FEGB CCn1c(=O)n(CC)c2cc(NC(=O)CI)ccc21 408528006 DUMPICNXPXFGGO-UHFFFAOYSA-N 373.194 2.216 50 40 FEGB O=C(N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1cccnc1 408860955 JKFRMYFVVUXVKU-LPYMAVHISA-N 366.421 2.237 50 40 FEGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(NC(C)=O)cc1 33763197 MQJWSCONJMGLLD-RGVLZGJSSA-N 371.393 2.435 50 40 FEGB COc1ccc(NC(=S)NNC(=O)COc2ccccc2OC)cc1 42083078 MCZCIXZHLHQYKJ-UHFFFAOYSA-N 361.423 2.100 50 40 FEGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 59433981 UWJXOWZQJRPJSY-VCHYOVAHSA-N 356.338 2.001 50 40 FEGB COc1ccccc1CC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 8778429 HXXFAMKAASWEPX-UHFFFAOYSA-N 350.378 2.089 50 40 FEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1 47080830 VHJSIVWXEUYCPB-ZDUSSCGKSA-N 357.797 2.154 50 40 FEGB COc1ccc(/C=N/NC(=O)c2c(C)nc3ccccn23)cc1[N+](=O)[O-] 1085912 VQQZLQFYQWRPMT-VCHYOVAHSA-N 353.338 2.323 50 40 FEGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1 3057424 LXCONQOLTURDSH-RQZCQDPDSA-N 374.309 2.284 50 40 FEGB NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 3273165 KJDCWAIPKBVAHZ-UHFFFAOYSA-N 360.222 2.398 50 40 FEGB C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)c1ccc(O)cc1O 100923106 IQLBVGAJJHEUIH-CIAFOILYSA-N 370.409 2.298 50 40 FEGB Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2CC(c3ccccc3)=NO2)c1 71843900 LENSCVZRKPWFLP-GOSISDBHSA-N 367.405 2.023 50 40 FEGB C/C(=N/NC(=O)c1cc(-c2cccn2C)n[nH]1)c1cccc([N+](=O)[O-])c1 867680 XXIKIDXTAOPOJM-WQRHYEAKSA-N 352.354 2.477 50 40 FEGB N#C/C(=C\c1cn(CC(=O)NCc2ccccc2)c2ccccc12)C(N)=O 20416207 NKDCOSVUOJFDTC-MHWRWJLKSA-N 358.401 2.350 50 40 FEGB Cc1c(C(=O)NNS(=O)(=O)c2cccc(C#N)c2)oc2ccccc12 12873266 FMLYIPOOXHJVBE-UHFFFAOYSA-N 355.375 2.236 50 40 FEGB O=C(COC(=O)c1ccc2ncsc2c1)NNC(=O)c1ccccc1F 4546411 SVNOADLFEXPZBV-UHFFFAOYSA-N 373.365 2.053 50 40 FEGB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CCl)[C@H]2C(C)C)cc1 4813913 GMKRSTFWKZUDAR-MRXNPFEDSA-N 358.891 2.439 50 40 FEGB CCc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 18095370 CMRDZWPEWGQYFU-GOSISDBHSA-N 365.433 2.059 50 40 FEGB COc1ccc(C(=O)[C@@H](Br)[C@H](Br)C(=O)O)cc1 1673794 ZLMNCWVKKNTEIG-IUCAKERBSA-N 366.005 2.490 50 40 FEGB in-vitro COc1nc2c([nH]1)[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 5463447 ZUYPJSUKVVGBRK-CQSZACIVSA-N 356.382 2.432 50 40 FEGB Cc1cc(C)cc(N2C[C@H](C(=O)NNC(=O)c3ccccc3)CC2=O)c1 7882601 UCBZHYCTGMBVTI-MRXNPFEDSA-N 351.406 2.118 50 40 FEGB CCc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(F)cc3)CC2=O)cc1 8204864 JDGXCEVCTLQABQ-HNNXBMFYSA-N 369.396 2.202 50 40 FEGB COc1ccc(Br)cc1/C=N/NC(=O)CN1CCCCC1 831137 GVEYDGKMQVJLGU-LICLKQGHSA-N 354.248 2.394 50 40 FEGB COc1ccc(Cl)cc1C(=O)NNc1nc(=O)c2cccnc2s1 1442295 IFQAELJYVRHEIH-UHFFFAOYSA-N 362.798 2.470 50 40 FEGB C[C@H](C(=O)NNC(=O)Cc1ccc(Cl)cc1)n1c(=O)oc2ccccc21 14325731 CZBOYEMELXIXST-LLVKDONJSA-N 373.796 2.199 50 40 FEGB O=C(CCC(=O)c1cccs1)NNC(=O)CN1CCCc2ccccc21 5689535 CEWQXNJRPCDVIN-UHFFFAOYSA-N 371.462 2.311 50 40 FEGB O=C(N/N=C/c1ccc(Cl)cc1)c1[nH]ncc1I 8915030 DYPZKMJMQLKZSM-LHHJGKSTSA-N 374.569 2.432 50 40 FEGB CC(=O)Oc1ccccc1C(=O)OCC(=O)OCCCCBr 114079231 FVOVRDYAYZACOZ-UHFFFAOYSA-N 373.199 2.487 50 40 FEGB COc1ccc(/C(C)=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1[N+](=O)[O-] 409050080 ZXWZLJXRLJXSRC-RQZCQDPDSA-N 374.309 2.371 50 40 FEGB CC[C@@H](C(=O)N/N=C/c1c(C)nn(C)c1F)n1nc(C)c(Cl)c1C 252505161 VQBVVTFDGODBFU-KXKLRXOYSA-N 354.817 2.436 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1OC 3092255 SWNUVHHALWQLCB-DZUMZMOTSA-N 355.394 2.031 50 40 FEGB Cc1c(C)[n+]([O-])c2c([n+]1[O-])[C@H](Br)CC[C@H]2Br 2282337 GTNBKVGTXZRNRF-HTQZYQBOSA-N 352.026 2.236 50 40 FEGB CCN(CC)C(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(OC)cc2)c1C 58912425 RBNCLTZGMGWXGP-FYJGNVAPSA-N 370.453 2.421 50 40 FEGB Cc1cc(C(=O)NNC(=O)[C@@H](NC(=O)C2CCCCC2)C(C)C)c(C)o1 8728781 TYLYIVCEXYWKBV-INIZCTEOSA-N 363.458 2.379 50 40 FEGB C=CCOc1ccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)cc1 408752992 MZUXMUDWHFZVRK-JCMHNJIXSA-N 351.406 2.408 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc([N+](=O)[O-])c1O 408967341 PZNNGCAWLMKKOH-UFWORHAWSA-N 358.285 2.084 50 40 FEGB COc1ccc(OC)c(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 8114348 IVYIQCVKTWZTLF-NGZBARDMSA-N 367.405 2.207 50 40 FEGB Cc1ccc([N+](=O)[O-])cc1N1C(=O)CS/C1=N\NC(=O)c1cccnc1 5006801 ANAWWQKWQAGLLT-MNDPQUGUSA-N 371.378 2.079 50 40 FEGB CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccn2)cc1OCC 17441301 AIYWHQFSBNPMMT-FYJGNVAPSA-N 370.409 2.358 50 40 FEGB O=C(NNC(=O)c1cncn1-c1ccccc1)c1cc(Br)c[nH]1 9367132 CGJVVGKVNRJFKI-UHFFFAOYSA-N 374.198 2.038 50 40 FEGB COc1cccc(/C=N\NC(=O)c2ccccc2O)c1O[C@H](C)C(=O)O 30961016 JBIGZLLXESHRKO-XEQXHXIFSA-N 358.350 2.017 50 40 FEGB COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1ccccc1Cl 5375442 CUDFPHKTTWGOJQ-MRXNPFEDSA-N 362.769 2.461 50 40 FEGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(C)cc2)c1C#N 711783 HMLKQLMINNGMDY-UFFVCSGVSA-N 352.394 2.246 50 40 FEGB O=C(NNS(=O)(=O)c1cc(F)ccc1F)c1cc2c(s1)CCC2 12922803 HJEPAXFHFJRWSK-UHFFFAOYSA-N 358.391 2.138 50 40 FEGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])c(O)cc2O)cc1 408817353 LJNVSVFKPWELIY-MLPAPPSSSA-N 369.333 2.238 50 40 FEGB O=C(N/N=C1/SCC(=O)N1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 33323943 MRNOBGVQTGATBH-HTXNQAPBSA-N 370.390 2.371 50 40 FEGB O=C(COc1cccc2ccccc12)NNS(=O)(=O)c1ccccc1 5023264 DFKASTIRTCSDCT-UHFFFAOYSA-N 356.403 2.228 50 40 FEGB CC1(C)OC(=O)C(=C2[C@@H]3[C@H]4C[C@H]5[C@H]6[C@H]([C@H](Br)[C@H]53)[C@H]2[C@H]46)C(=O)O1 575318871 RJGIOBOOMIYNRD-YSUYRFMUSA-N 365.223 2.270 50 40 FEGB CCOC(=O)c1c(NC(=O)CCl)sc(C(=O)OCCOC)c1C 3337435 BEOFEXXTXNZDAX-UHFFFAOYSA-N 363.819 2.214 50 40 FEGB COc1cc(C=NNC(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1OC 15919616 GJAVLLZZZUFPQU-KRWDZBQOSA-N 372.377 2.003 50 40 FEGB C[C@@H]1CCc2c(C(=O)NNC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)csc2C1 102207212 CJLURVPBDUPPMU-AQQMGXQTSA-N 374.462 2.157 50 40 FEGB O=C(NN[C@@H]1CC(=O)N(c2ccccc2Cl)C1=O)c1cccc(F)c1 4548016 ZJVYSXQLXJTGET-CYBMUJFWSA-N 361.760 2.046 50 40 FEGB CCCc1cc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cs1 102207944 OELIUHSQZBEFSD-NUZBWSBOSA-N 350.440 2.209 50 40 FEGB COc1ccc(C(=O)NNC(=O)Cc2coc3cc(OC)ccc23)cc1 6836521 FNGHQOUGZWRYQI-UHFFFAOYSA-N 354.362 2.454 50 40 FEGB O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccc(Cl)cc1Cl 409376050 SRVYEBGGYQYKEB-XMUKKISLSA-N 369.204 2.277 50 40 FEGB Cc1ccc(-n2c(C)nnc2SCC(=O)NNC(=O)c2ccco2)cc1 924699 NTIWHAHJMCNJJL-UHFFFAOYSA-N 371.422 2.030 50 40 FEGB Cc1snc(SCC(=O)NNC(=N)COc2ccccc2)c1C#N 3128094 MOESEKYOGCZUQL-UHFFFAOYSA-N 361.452 2.092 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2OC)cc1 59516288 APCSMEZDQKZVFF-VXLYETTFSA-N 361.785 2.446 50 40 FEGB CC1=C(C(=O)OC(C)(C)C)[C@@]2(C(=O)N(C)c3ccccc32)C(C#N)=C(N)O1 1243255 OUCLONUIXIGXIR-FQEVSTJZSA-N 367.405 2.241 50 40 FEGB O=C(NCc1ccccn1)C(=O)N/N=C/c1c(Cl)cccc1Cl 59515618 HSKSWTLJRJXRHO-AWQFTUOYSA-N 351.193 2.155 50 40 FEGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(OC)cc1O 409390269 CGBHEQATGMCTSZ-YBFXNURJSA-N 369.333 2.085 50 40 FEGB O=C(NNS(=O)(=O)c1cccc(OC(F)(F)F)c1)c1ccccc1 22957296 SNPCYUVGQNXRPG-UHFFFAOYSA-N 360.313 2.209 50 40 FEGB C[C@@H](C(=O)N/N=C\c1ccc(N(C)C)cc1)n1cnc2ccccc2c1=O 31854605 RDINNYAYJURHET-ZDXHCBJDSA-N 363.421 2.174 50 40 FEGB COc1ccc(NC(=S)NNC(=O)COc2ccc(OC)cc2)cc1 42083124 URZZNNPXLWPNGK-UHFFFAOYSA-N 361.423 2.100 50 40 FEGB Cc1cc2c(c(=O)n1CCO)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 4851025 AFHLLYRMMMWVAI-OAHLLOKOSA-N 357.797 2.021 50 40 FEGB COc1cc(/C=N/NC(=O)COc2ccc(C)cc2)cc([N+](=O)[O-])c1O 36009102 ASGCOPVATIGZPM-GIJQJNRQSA-N 359.338 2.147 50 40 FEGB C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)COc1cccc(C)c1 5025089 SPJKSVLJBBPKSN-CJLVFECKSA-N 353.422 2.225 50 40 FEGB C[C@H](Oc1ccc(/C=N\NC(=O)c2cccc(N(C)C)c2)cc1)C(=O)O 30803290 VCDNNNTUAATNKF-RQZLXBNYSA-N 355.394 2.368 50 40 FEGB Cc1ccsc1/C=N/NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1C 4086410 IEYWRHOYHSCZGL-QGMBQPNBSA-N 360.395 2.153 50 40 FEGB Nc1ccc(S(=O)(=O)NP(=O)(c2ccccc2)c2ccccc2)cc1 103708839 QLLCHZWPFLUDCJ-UHFFFAOYSA-N 372.386 2.476 50 40 FEGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cnccn1 840424 QFGVYPROYFCQJG-QMMMGPOBSA-N 355.181 2.012 50 40 FEGB O=C(COc1ccc(Cl)cc1)NCC(=O)N/N=C/c1cccs1 4079693 HIKRFOPSYWRBKE-QGMBQPNBSA-N 351.815 2.047 50 40 FEGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1cccc(OC)c1 642633 ZQVHNYQRPHHVCI-AWEZNQCLSA-N 356.407 2.253 50 40 FEGB O=C(CSc1ccccc1F)NNS(=O)(=O)c1cccc(F)c1 7386898 KAFYCYPZNHERRF-UHFFFAOYSA-N 358.391 2.067 50 40 FEGB COc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(OC)c3)CC2=O)cc1 409162000 YHYHFSRYMGZITI-RANIVTSPSA-N 367.405 2.207 50 40 FEGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc([N+](=O)[O-])c3)CC2=O)cc1 33907691 ZCMOGMGGCGXSIJ-UWOKGBPVSA-N 366.377 2.406 50 40 FEGB COc1ccc(-c2cc(C(=O)N/N=C/c3c(C)nn(C)c3F)n[nH]2)cc1 252497401 QGMMAEQJOVPLEV-DJKKODMXSA-N 356.361 2.030 50 40 FEGB COc1ccc(OCC(=O)N/N=C/c2cc(OC)c(OC)cc2OC)cc1 3089583 KGVHSZYANKKJDN-RGVLZGJSSA-N 374.393 2.250 50 40 FEGB CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cc(Cl)cn2C)o1 40046925 PZYPPLCDLREALL-UHFFFAOYSA-N 352.822 2.188 50 40 FEGB CCOC(=O)Cc1[nH]nc2c1[C@@H](c1ccc(F)cc1F)C(C#N)=C(N)O2 663125 RNRCQPGDTRMCKF-AWEZNQCLSA-N 360.320 2.012 50 40 FEGB O=C(N/N=C\CCc1ccccc1)C(=O)N/N=C\CCc1ccccc1 4726167 QTODSEHFGCCUFW-BMJUYKDLSA-N 350.422 2.456 50 40 FEGB C[C@@H]1N[C@H]([N+](=O)[O-])[C@@H](Br)N1CC(=O)c1ccc(Cl)cc1 100291954 QKYIEVDEIZBHLQ-VSYUYLJXSA-N 362.611 2.098 50 40 FEGB Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c(C)c1 14251218 XNUBQVVBENXXPL-HNNXBMFYSA-N 371.462 2.431 50 40 FEGB C/C(CC(=O)N[C@H](C)c1ccccc1)=N\NC(=O)c1ccc(O)cc1O 4690459 GCKABQUQOFBTMK-LNOXHEFASA-N 355.394 2.471 50 40 FEGB O=C(NNS(=O)(=O)c1cccc(Br)c1)c1ccccc1F 7428889 AWYDOZULKMEODQ-UHFFFAOYSA-N 373.203 2.212 50 40 FEGB C/C=C/C=C/C(=O)NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 8088405 NYKOHXJKGRMCOL-MHCRVGIVSA-N 374.400 2.279 50 40 FEGB COc1cccc(CC(=O)N/N=C\c2ccc(OCC#N)c(OC)c2)c1 409370065 KJQKCSXTLLZTBX-BKUYFWCQSA-N 353.378 2.299 50 40 FEGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(N2CCOCC2)cc1 34897898 QSIYVNSPHAXIIC-ZHZULCJRSA-N 368.393 2.124 50 40 FEGB Cc1nnc(N/N=C\c2ccc(N(CCCl)CCCl)cc2)n1N 104067632 DGBKMHFVOWRWBQ-ZDLGFXPLSA-N 356.261 2.030 50 40 FEGB CCCOC[C@H](O)C[C@@H](CC)C(=O)NNC(=S)Nc1ccccc1 13496495 LTTUBZGAAXCKRI-UKRRQHHQSA-N 353.488 2.208 50 40 FEGB C=COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1 408720130 YAMWWPZPHWCBDL-VXLYETTFSA-N 353.334 2.026 50 40 FEGB COc1ccc(/C(C)=N/NC(=O)COc2ccccc2C#N)cc1OC 4567967 YXLAADTVWXBJFK-FYJGNVAPSA-N 353.378 2.495 50 40 FEGB COc1cc(/C=N\NC(=O)c2cccc(O)c2)ccc1O[C@H](C)C(=O)O 409012306 QGDSMRUYUJFWDV-XEQXHXIFSA-N 358.350 2.017 50 40 FEGB COc1cc(I)cc(/C=C(/C#N)C(=O)N(C)C)c1O 408854115 YAEUTNYSIMGUQC-WTKPLQERSA-N 372.162 2.001 50 40 FEGB COc1ccc(CC(=O)N/N=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 6181860 TZSLRFOIDUAPRJ-YBFXNURJSA-N 373.365 2.313 50 40 FEGB O=C(NNC(=O)c1cccs1)c1cccc(I)c1 824822 GCQBGMNESSGSLP-UHFFFAOYSA-N 372.187 2.428 50 40 FEGB O=C(O)[C@@H](Br)[C@H](Br)C(=O)Nc1ccccc1 1688861 LDRRHBOONXUHLL-YUMQZZPRSA-N 350.994 2.237 50 40 FEGB O=C(COc1ccc2ccccc2c1)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 675132 XBPQLOBVVDTMNS-DLBZAZTESA-N 370.405 2.257 50 40 FEGB COC(=O)COc1ccc(/C=N\NC(=O)c2cc(OC)cc(OC)c2)cc1 58882580 PMQZEOMATZEJRC-JAIQZWGSSA-N 372.377 2.020 50 40 FEGB O=C(NNS(=O)(=O)c1cccc(F)c1)c1cc2c(s1)CCCC2 12755376 MXJHVNAQJKOPSS-UHFFFAOYSA-N 354.428 2.389 50 40 FEGB C[C@H]1Cc2cc(C(=O)NN(C)c3ccccc3)ccc2N1S(C)(=O)=O 8358528 DYECCVPMJGZWPX-ZDUSSCGKSA-N 359.451 2.178 50 40 FEGB CN(C)c1cccc(C(=O)NNC(=S)NCCCc2ccccc2)c1 408585085 CHJJFMJCDRHKQS-UHFFFAOYSA-N 356.495 2.494 50 40 FEGB O=C(NNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccc(Cl)cc1Cl 409376048 SRVYEBGGYQYKEB-QQXRRDQMSA-N 369.204 2.277 50 40 FEGB C=CCSC1=C(C#N)[C@H](c2ccccc2[N+](=O)[O-])[C@@H](C(=O)OC)C(=O)N1 9110852 OBIQFQOKWJKEIW-UONOGXRCSA-N 373.390 2.252 50 40 FEGB COc1c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc2c(c1OC)OCO2 15109936 AIGTYVKNSKRJSL-CQSZACIVSA-N 370.361 2.247 50 40 FEGB CCc1ccc(OCC(=O)NNC(=O)COc2ccc(CC)cc2)cc1 6124206 DAGUVDCCFHEZIY-UHFFFAOYSA-N 356.422 2.417 50 40 FEGB CC1=C(C(=O)OC(C)(C)C)[C@@]2(C(=O)Nc3ccc(F)cc32)C(C#N)=C(N)O1 1055095 FAZSBOXLYHLLPX-IBGZPJMESA-N 371.368 2.355 50 40 FEGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(NC(=O)c2ccco2)cc1 105351383 WLSUSCKZFWJLGM-KAMYIIQDSA-N 353.334 2.014 50 40 FEGB CCCOC[C@@H](O)C[C@H](CC)C(=O)NNC(=S)Nc1ccccc1 13496496 LTTUBZGAAXCKRI-ZFWWWQNUSA-N 353.488 2.208 50 40 FEGB COc1cccc(/C=N\NC(=O)c2cccc(O)c2)c1O[C@@H](C)C(=O)O 409231465 JFEJVPSRKIXLIM-ORPVNXHJSA-N 358.350 2.017 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(C)=O 672027 XTRBWYTZZXDECF-RGVLZGJSSA-N 369.377 2.343 50 40 FEGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NC(C)C)c2C)cc1 58913872 MFCAFJMWKBOYLH-MTJSOVHGSA-N 370.453 2.468 50 40 FEGB COc1ccccc1/C=N/NC(=O)C(=O)Nc1cc(Cl)ccc1OC 59516287 TUMFDVPNKIBMQA-VXLYETTFSA-N 361.785 2.446 50 40 FEGB CCCn1nc(C(=O)NNc2ccccc2[N+](=O)[O-])c2ccccc2c1=O 15503791 QHHRSQZPOZKKJH-UHFFFAOYSA-N 367.365 2.472 50 40 FEGB C[C@@H]1Cc2cc(C(=O)NN(C)c3ccccc3)ccc2N1S(C)(=O)=O 8358526 DYECCVPMJGZWPX-CYBMUJFWSA-N 359.451 2.178 50 40 FEGB O=C(CN1CCCCCC1=O)NNC(=O)c1ccc(OC2CCCC2)cc1 84388114 BYOHHHMIWCNDKR-UHFFFAOYSA-N 373.453 2.172 50 40 FEGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)NC(N)=O 409249694 LAOTXJWFHSFDEN-UITAMQMPSA-N 359.725 2.400 50 40 FEGB COc1cc(/C=N\NC(=O)C[C@H]2Sc3ccccc3NC2=O)ccc1O 36626333 DRNMSWYCPMTTHF-DZGUVLCISA-N 371.418 2.354 50 40 FEGB COc1ccc(OC)c(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 8114332 IVYIQCVKTWZTLF-VRCTWVPOSA-N 367.405 2.207 50 40 FEGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(OC)c(O)c(OC)c2)c1 6380572 QMQWUUULOSWSSC-VXLYETTFSA-N 360.366 2.191 50 40 FEGB CCOC(=O)[C@@](NC(=O)CCl)(Nc1cccc(F)c1)C(F)(F)F 2352557 ALHJWURFIZNLFO-LBPRGKRZSA-N 356.703 2.414 50 40 FEGB CN(C)c1ccc(/C=N/NC(=O)CCC(=O)NCc2ccccc2)cc1 4090177 XVCRDLRDWDJUOB-PXLXIMEGSA-N 352.438 2.299 50 40 FEGB N#CCOc1ccccc1/C=N\NC(=O)Cc1ccc2c(c1)OCCO2 409366322 UHVDFOVFXLPRQD-BKUYFWCQSA-N 351.362 2.053 50 40 FEGB C=CC[C@@H](C[C@H](O)COCCC)C(=O)NNC(=S)Nc1ccccc1 13687880 LFJGXNPEGNAGDJ-HOCLYGCPSA-N 365.499 2.374 50 40 FEGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(F)cc1 6997722 XRXUXEXASZRPMP-UDWIEESQSA-N 372.356 2.334 50 40 FEGB CCNC(=O)N(C)NC(=O)Nc1cccc(Br)c1COC 95945366 OCJBNINATBDCKI-UHFFFAOYSA-N 359.224 2.293 50 40 FEGB COc1ccccc1CC(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1 5704675 SDAOXDMMKQSANT-UHFFFAOYSA-N 372.421 2.495 50 40 FEGB COc1ccc(C(=O)NNC(=O)c2cccc(O)c2)cc1Br 9315176 YBZRSHICQIINNW-UHFFFAOYSA-N 365.183 2.238 50 40 FEGB Cc1ccc(N2N=C(C(=O)NNC(=O)c3ccco3)CCC2=O)cc1Cl 14046686 UFCJQUCEZXNMHI-UHFFFAOYSA-N 374.784 2.185 50 40 FEGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3C)CC2=O)cc1 41299932 ZEFQXPSRQWTHFI-OAHLLOKOSA-N 351.406 2.118 50 40 FEGB O=C(COc1ccccc1Br)N/N=C/c1ccc([N+](=O)[O-])o1 1085520 ZACCLSIBBZXDBZ-VIZOYTHASA-N 368.143 2.479 50 40 FEGB COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cccnc2)c(OC)c1 5222592 XLLMKRIVOXAVNG-CIAFOILYSA-N 356.382 2.233 50 40 FEGB CCCCOc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 5597163 DCUMJOXKHZTQGV-OHFALNGGSA-N 374.437 2.373 50 40 FEGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)CC)cc1OC 408819518 XOOKECQJLNDUOB-GULXKOIASA-N 360.410 2.459 50 40 FEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1Cl 47081121 IKTZVSUYXKRHOF-LBPRGKRZSA-N 357.797 2.154 50 40 FEGB COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OCC(=O)N/N=C/c1ccccc1 3116024 YCLBXOFVFUNQQA-RQZCQDPDSA-N 374.309 2.041 50 40 FEGB O=C(NNC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccccc1 40023751 JAIDPIGJYGREFF-INIZCTEOSA-N 366.421 2.392 50 40 FEGB Cc1ccc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 59433329 XXYRWIKMBTZENJ-UFWORHAWSA-N 356.338 2.194 50 40 FEGB Cc1ccc(/C=N/NC(=O)CSc2nnnn2-c2ccccc2)cc1 1501801 QAVGNTSVQNRKEI-WOJGMQOQSA-N 352.423 2.213 50 40 FEGB Cn1cc(C(=O)NNS(=O)(=O)c2cccc(Cl)c2)c2ccccc21 7907343 IEIZRFPCVNOKNF-UHFFFAOYSA-N 363.826 2.455 50 40 FEGB CC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)s1 408729168 AZHWREOTXWTGIB-OMCISZLKSA-N 372.237 2.496 50 40 FEGB COc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408685631 POTCKRLTYBVZBJ-KJKVDNPUSA-N 366.211 2.205 50 40 FEGB Cc1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N(C)C 408994932 IBOGZFIQSLSAJV-YBFXNURJSA-N 356.382 2.498 50 40 FEGB CCS(=O)(=O)[C@@H](I)[C@H](O)c1ccccc1C 96519281 SFLGRVYPCIYBRP-GHMZBOCLSA-N 354.209 2.224 50 40 FEGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2C)cc1 3072705 SANDGTKAWYWEGF-RGVLZGJSSA-N 353.378 2.179 50 40 FEGB COc1ccc(-c2cc3c(=O)n(Cc4noc(CCl)n4)ccn3n2)cc1 57509277 NELIDGSIQVVWKN-UHFFFAOYSA-N 371.784 2.342 50 40 FEGB Cc1cccc(COc2ccc(/C=N\NC(=O)CN3CCOCC3)cc2)c1 59246432 KXPWCWSNIIKGAM-HMAPJEAMSA-N 367.449 2.356 50 40 FEGB Cc1sc2ncn(CC(=O)N/N=C\c3ccc(F)cc3)c(=O)c2c1C 31783406 KUFMUWWVZAHUET-SCDVKCJHSA-N 358.398 2.364 50 40 FEGB Cc1c(NC(=O)NNS(=O)(=O)c2ccccc2)sc(=S)n1C 16887133 NNOWEVWRXWPGHY-UHFFFAOYSA-N 358.470 2.140 50 40 FEGB CC1(C)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)/C=C/C=C/C=O)C=C1COC(=O)[C@]12O 253389513 NTEIYTQTTHYBTI-OVQPMLLISA-N 374.433 2.270 50 40 FEGB biogenic,in-vitro CCc1cc2c(=O)n(CC(=O)N/N=C/c3ccccc3F)cnc2s1 1784413 NMKDUBAGJFCLIR-DNTJNYDQSA-N 358.398 2.310 50 40 FEGB CCOC(=O)[C@](NC(=O)CCl)(Nc1ccccc1F)C(F)(F)F 2443980 BOYHSLAYCOPZML-GFCCVEGCSA-N 356.703 2.414 50 40 FEGB Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(F)cc2Cl)cc1 11445543 CBNWIMLMYGIHJC-UHFFFAOYSA-N 364.760 2.406 50 40 FEGB O=C(NNC(=O)c1ccccn1)c1cnn(Cc2ccccc2Cl)c1 8940518 AUQAVIQLIOPJEG-UHFFFAOYSA-N 355.785 2.055 50 40 FEGB Cc1ccc(C(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)cn1 6449992 MNIJDDOANDIPJU-UHFFFAOYSA-N 359.183 2.239 50 40 FEGB CC(=O)NN(C(=O)C(Cl)(Cl)CCl)c1ccc([N+](=O)[O-])cc1 4557658 REYWUXRNBLXDMY-UHFFFAOYSA-N 354.577 2.392 50 40 FEGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccccc1 408526562 DUAWELNMLRHBHS-XDHOZWIPSA-N 353.334 2.136 50 40 FEGB C/C(CC(=O)NCc1ccc(F)cc1)=N\NC(=O)c1ccc(O)c(O)c1 101158388 FSABZQPLXGJCCU-SRZZPIQSSA-N 359.357 2.049 50 40 FEGB COCCN(CCOC)C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1 6372279 LCEUJVRZSVKYNK-KAMYIIQDSA-N 354.353 2.316 50 40 FEGB Cc1ccc(OCC(=O)N/N=C/c2c(C)cc(O)cc2O)c([N+](=O)[O-])c1 9355225 NPBAEFQDPWQCJL-QGMBQPNBSA-N 359.338 2.152 50 40 FEGB Cn1cc(C(=O)NNS(=O)(=O)/C=C/c2ccccc2)c2ccccc21 7907358 RPPUXBWBYJEEEJ-VAWYXSNFSA-N 355.419 2.413 50 40 FEGB CCc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 18095369 CMRDZWPEWGQYFU-SFHVURJKSA-N 365.433 2.059 50 40 FEGB CC1(C)OC(=O)C(=C2[C@H]3[C@@H]4[C@H]5C[C@H]3[C@H]3[C@@H]2[C@@H]([C@@H]4Br)[C@H]53)C(=O)O1 575318865 RJGIOBOOMIYNRD-ASDDPUOSSA-N 365.223 2.270 50 40 FEGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCC(N)=O 59133413 UWLXTLQSVGCOOP-OQLLNIDSSA-N 365.389 2.413 50 40 FEGB CCOC(=O)NNC(=O)Cn1c(C)c(Br)c2ccccc21 54000014 JIVYLOBNDAAGNJ-UHFFFAOYSA-N 354.204 2.490 50 40 FEGB C=CCOc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1Cl 59246636 KWQRUXAJDVXSEP-GRSHGNNSSA-N 372.252 2.341 50 40 FEGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(OC)ccc1OC 2165953 IXFCGPDRHISUBN-UDWIEESQSA-N 355.394 2.355 50 40 FEGB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NNC(=O)c1ccco1 8304734 IGJVJPXAXOMFBQ-UHFFFAOYSA-N 352.394 2.476 50 40 FEGB CCN(CC)c1ccc(/C=N\NC(=O)CNc2ccc3c(c2)OCO3)o1 408874363 ANMARBQVYFKLMG-JMIUGGIZSA-N 358.398 2.417 50 40 FEGB CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cccs2)cc1 6593402 SVDQIDXFAFXPRR-UHFFFAOYSA-N 363.464 2.486 50 40 FEGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 409268715 YBMLSQAJNFPMRV-UDWIEESQSA-N 369.377 2.054 50 40 FEGB O=C(COc1ccc(Cl)cc1)NNc1nnc(-c2ccccc2)c(O)n1 27752353 IQJBGPHWQBBHTB-UHFFFAOYSA-N 371.784 2.420 50 40 FEGB C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12 1772820309 FAOCYDOPXMGUET-UOUAQIBGSA-N 360.406 2.190 50 40 FEGB biogenic COc1cccc([C@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CCC3)c1 5433188 SBLCYVUMIFIKAC-INIZCTEOSA-N 362.393 2.118 50 40 FEGB COc1ccc(C(=O)NNC(=O)COc2ccccc2Cl)cc1OC 840354 LDECLVIOJMLQEZ-UHFFFAOYSA-N 364.785 2.197 50 40 FEGB Cc1ccc(C)c(N2C[C@H](C(=O)NNC(=O)c3ccccc3)CC2=O)c1 7882309 CCXPXPASOUWENB-MRXNPFEDSA-N 351.406 2.118 50 40 FEGB CC(C)[C@@H](OC[C@H]1CCCO1)C(=O)N/N=c1/sc2ccccc2n1C 103937628 BAOVEDRCJKYZOZ-XUAZZVRSSA-N 363.483 2.392 50 40 FEGB CCOC(=O)Cc1n[nH]c2c1[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 803704 PPDZYWFOFFPLCI-AWEZNQCLSA-N 358.785 2.387 50 40 FEGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(C#N)cc1F 408968321 VJIGAZZUIOEWGX-UFFVCSGVSA-N 357.341 2.487 50 40 FEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1OCC 6997375 JGPPKGINEFKLNQ-XSFVSMFZSA-N 359.426 2.113 50 40 FEGB COc1cc(/C=N/NC(=O)CN2CCCCC2)cc(Br)c1O 28217778 QYQYYVJVQIXIFS-RQZCQDPDSA-N 370.247 2.099 50 40 FEGB Cc1cccc(N2C(=O)N=C(O)/C(=C/NNC(=O)c3ccccc3)C2=O)c1 9235188 OBZQXFYDZWMTJN-PTNGSMBKSA-N 364.361 2.237 50 40 FEGB O=C(CN1CCOCC1)N/N=C/c1ccccc1OCc1ccccc1F 19855223 BILODDFQBSNCDS-LPYMAVHISA-N 371.412 2.187 50 40 FEGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OC)cc1 642493 HFBUXJMNPIKLNU-CQSZACIVSA-N 356.407 2.253 50 40 FEGB O=C(Nn1cnnc1)[C@H](Br)[C@H](Br)c1ccccc1 3160330 UXIJLFOWVPTCMV-NXEZZACHSA-N 374.036 2.248 50 40 FEGB COCCOC(=O)/C(C#N)=C/c1cc(OC)c(N2CCCC2)cc1OC 409107392 RNSVFQOXMOEYGS-XNTDXEJSSA-N 360.410 2.401 50 40 FEGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)Cc1ccc([N+](=O)[O-])cc1 216952106 SIWJSWCMAJVTOG-UHFFFAOYSA-N 352.350 2.344 50 40 FEGB N#C/C(=C/c1ccccc1OCC(=O)O)C(=O)NCCc1ccccc1 211493693 MHRXLIIHKOIBIK-ATVHPVEESA-N 350.374 2.416 50 40 FEGB Cc1nn(C[C@@H](C)C(=O)N/N=C/c2ccc(F)s2)c(C)c1[N+](=O)[O-] 252504804 VLVOZUFIDJTJPP-NGZXACEBSA-N 353.379 2.395 50 40 FEGB Cc1cc(O)c(C)c(O)c1/C=N/NC(=O)COc1ccccc1[N+](=O)[O-] 919065 LXOULUPNYZBLCM-QGMBQPNBSA-N 359.338 2.152 50 40 FEGB C[C@@H](Cl)C(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21 1067852 ZQQGOXAQEQFLHD-SNVBAGLBSA-N 372.830 2.037 50 40 FEGB biogenic COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1O 409252294 RPXDQZOJGBLLAU-WSDLNYQXSA-N 369.421 2.291 50 40 FEGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc[nH]2)c1C 4494287 OTPZJLCDCGMPQF-MHWRWJLKSA-N 355.394 2.413 50 40 FEGB C/C(=N/NC(=O)CNC(=O)COc1ccccc1)c1ccc(Cl)cc1 4821807 BUXRAEYOMCYEHY-BKUYFWCQSA-N 359.813 2.375 50 40 FEGB COc1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 409083023 UIRWQMVQVMZYAY-GIJQJNRQSA-N 357.322 2.025 50 40 FEGB N#C/C(=C\N1CCN(c2ccc(F)cc2)CC1)C(=O)NCc1ccco1 12416249 CPDLNDSAFWAYEE-CCEZHUSRSA-N 354.385 2.265 50 40 FEGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OC(C)=O 706368 XQPPLTBYFRXUTE-KRWDZBQOSA-N 354.362 2.435 50 40 FEGB O=C(COc1ccc(Br)cc1)NNC(=O)c1cccs1 792880 LMGZQFQDTYHXFG-UHFFFAOYSA-N 355.213 2.351 50 40 FEGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2C[C@@H]2c2cccnc2)c1C 84219140 YQYGFLQMGAYMHM-OIISXLGYSA-N 353.422 2.417 50 40 FEGB C#CCN1C(=O)/C(=N/NC(=O)COc2cccc(C)c2C)c2ccccc21 4590737 HVWCSYDNKDRIRQ-BSYVCWPDSA-N 361.401 2.183 50 40 FEGB Cc1c(Cl)cccc1N1C[C@H](C(=O)NNC(=O)c2ccccc2)CC1=O 408639412 GCUUVZWKFYPNOO-CQSZACIVSA-N 371.824 2.463 50 40 FEGB CCS(=O)(=O)[C@@H](I)[C@@H](O)c1ccc(F)cc1 96519271 JFBIXKUAHKJQOA-VHSXEESVSA-N 358.172 2.055 50 40 FEGB COc1cc([C@@H]2C(C#N)=C(C)Nc3nc(N)nc(N)c32)cc(OC)c1OC 5501417 JTXBAZMPUMUOIV-CYBMUJFWSA-N 368.397 2.022 50 40 FEGB COc1cc(C=NNC(=O)[C@H]2COc3ccccc3O2)cc(OC)c1OC 15919617 GJAVLLZZZUFPQU-QGZVFWFLSA-N 372.377 2.003 50 40 FEGB CNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@@H]3c1cccs1 15082941 RULGPBRLOVQMFX-MRVPVSSYSA-N 357.420 2.306 50 40 FEGB Cc1cc2c(c(=O)n1CCO)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 4851020 YPYRGQDSEWPKQX-OAHLLOKOSA-N 357.797 2.021 50 40 FEGB O=C(COc1ccc2c(c1)CCC2)NNC(=O)Cc1c[nH]c2ccccc12 6543547 PSSPHJKVXFIEBN-UHFFFAOYSA-N 363.417 2.426 50 40 FEGB CCOc1ccccc1N(CC(=O)N/N=C(\C)C(C)(C)C)S(C)(=O)=O 408782352 GAIARGQPANWEAQ-QGOAFFKASA-N 369.487 2.390 50 40 FEGB COc1c(O)ccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)c1[N+](=O)[O-] 3079774 FKZJBPNKNWESPY-DJKKODMXSA-N 373.365 2.455 50 40 FEGB O=C(CCCNC(=O)c1ccccc1)N/N=C/c1ccccc1C(=O)O 2645942 RIXKAANIWYZIHM-FYJGNVAPSA-N 353.378 2.045 50 40 FEGB COc1cc(Br)ccc1C(=O)N/N=C/c1cnn(C)c1C 1080331 JFYHZQWGACDFIL-FRKPEAEDSA-N 351.204 2.264 50 40 FEGB C=CCOc1ccc(/C=N/NC(=O)CC(=O)NCCc2ccccc2)cc1 59516034 CTYNWLJPEOHGRB-XQNSMLJCSA-N 365.433 2.451 50 40 FEGB C/C(=N/NC(=O)c1ccncc1)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 25763122 WOJSQPLDSSOKKD-ODLFYWEKSA-N 365.353 2.033 50 40 FEGB Cc1ccc(-n2nc(C(=O)N/N=C\c3ccccc3)c(C)c(C#N)c2=O)cc1 409055098 JSNDHFJKEZNNFX-QRVIBDJDSA-N 371.400 2.485 50 40 FEGB O=C(CN1CCOCC1)N/N=C/c1ccccc1OCc1ccc(F)cc1 19851764 RWBZSULNVIXJGM-LPYMAVHISA-N 371.412 2.187 50 40 FEGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(N)=O)cc1 408798118 UKDYASPJKXRSQX-GXDHUFHOSA-N 351.362 2.105 50 40 FEGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@@H]1OC(=O)c2ccccc21 32999502 MCHMPGSAOZPUGB-ZBEGNZNMSA-N 372.352 2.042 50 40 FEGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Cl)c(OC)c1 4703113 QOVVTWWCFKUCJD-VXLYETTFSA-N 361.785 2.446 50 40 FEGB Cc1ccc(C(=O)NNC(=O)c2cc(Br)cn2C)cc1F 16271120 BGMOPLFMTOFBKF-UHFFFAOYSA-N 354.179 2.310 50 40 FEGB CCCOc1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc1OC 8314750 ASVIBLWMWCFWSH-UHFFFAOYSA-N 353.378 2.430 50 40 FEGB COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cccs1 3449699 UAFCLALSPMITEH-UHFFFAOYSA-N 368.798 2.028 50 40 FEGB C/C(=N\NC(=O)CSc1c([N+](=O)[O-])ncn1C)c1ccc(F)cc1 4587253 FNWRAPDQZDWSDL-RQZCQDPDSA-N 351.363 2.100 50 40 FEGB COC(=O)c1ccc(COc2ccc(/C=N/NC(=O)CC#N)cc2)cc1 5752828 VARXIDCIPGIWDW-CIAFOILYSA-N 351.362 2.416 50 40 FEGB O=C(CCCCl)NC(=S)Nc1ccc(CN2CCOCC2)cc1 19922500 HXCOAWZTLDYQBZ-UHFFFAOYSA-N 355.891 2.351 50 40 FEGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC)cc2OC)cc1 3061723 GQAJUWRVVFLMPR-UDWIEESQSA-N 371.393 2.191 50 40 FEGB O=C(N/N=C/c1cccc(I)c1)c1cccnc1 1479698 FIBWNMMTEQPHRM-LZYBPNLTSA-N 351.147 2.450 50 40 FEGB C=CCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccc(OC)cc2)c1C 58913956 JVQMUDDTHPMBCK-XKZIYDEJSA-N 368.437 2.245 50 40 FEGB N#Cc1ccccc1OCC(=O)NNC1=C(C(=O)C(F)(F)F)CCC1 408563270 KLQQPWVYSWHPPX-UHFFFAOYSA-N 353.300 2.127 50 40 FEGB CC(=O)NNc1nc(C)c(C(/C=C\c2ccc([N+](=O)[O-])cc2)=N/N)s1 17215494 IQHTWDZGXYNLKW-OCXBCZNUSA-N 360.399 2.199 50 40 FEGB COc1cc(/C=N/NC(=O)CNc2ccccc2)c([N+](=O)[O-])cc1OC 7008969 DKWVRJOWRAPJEQ-VXLYETTFSA-N 358.354 2.174 50 40 FEGB CC(=O)O[C@H]1C[C@@H](Br)[C@@H](Br)C[C@H]1OC(C)=O 4127977 XXYPEZQMKPVAQY-FIRGSJFUSA-N 358.026 2.171 50 40 FEGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccccc2OCC(=O)O)c1 5489250 MEJQPTYBAPNFPJ-KEBDBYFISA-N 356.378 2.296 50 40 FEGB C=CCc1cc(/C=N/NC(=O)c2ccncc2)cc(OC)c1OCC(=O)O 408853237 MONCALCIQSCLJM-SRZZPIQSSA-N 369.377 2.046 50 40 FEGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccco1)S(C)(=O)=O 408781812 DWPYJGYIDUBHEQ-RQZCQDPDSA-N 369.830 2.158 50 40 FEGB CC(C)OCCCNC(=O)/C(C#N)=C/c1cccc2[nH]nc(C(=O)O)c12 585138742 PINBMDMVBPZRFX-UKTHLTGXSA-N 356.382 2.099 50 40 FEGB COc1ccc(C(=O)NNC(=O)/C(O)=C/C(=O)c2ccc(C)cc2)cc1 15885126 QTNQNLKIJVSZAV-BOPFTXTBSA-N 354.362 2.089 50 40 FEGB CC(C)=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 16138668 SNTKUMUHOLBNQS-UHFFFAOYSA-N 373.478 2.432 50 40 FEGB O=C(COC(=O)C1(c2ccccc2)CC1)NNC(=O)c1ccccc1Cl 20866095 PJTHYIYGJTWVAD-UHFFFAOYSA-N 372.808 2.376 50 40 FEGB CC(=O)NNC(=O)CSc1nc(C)nc2sc3c(c12)CC[C@H](C)C3 1326249 MRRJRCCRDNJENR-QMMMGPOBSA-N 364.496 2.384 50 40 FEGB Cc1occc1C(=O)NNC(=O)N(C)Cc1cnn(Cc2ccccc2)c1 45128891 YVRNOXQSNSKVNB-UHFFFAOYSA-N 367.409 2.319 50 40 FEGB CCOc1cc(/C=N/NC(=O)OC(C)(C)C)ccc1OCC(=O)N(C)C 3323896 ADTVLJQSRSIFLW-YBFXNURJSA-N 365.430 2.411 50 40 FEGB Cc1cc2ccccc2n1CC(=O)NNC(=O)c1ccc2c(c1)OCCO2 21904206 WQDPMIFWCVIHKR-UHFFFAOYSA-N 365.389 2.182 50 40 FEGB Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)c1ccncc1 672082 YWRMSBLTHFCGED-UHFFFAOYSA-N 359.183 2.239 50 40 FEGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2C)c1OC 59516012 YWSKDEPDVAAQLW-RGVLZGJSSA-N 355.394 2.409 50 40 FEGB COc1ccc(CC(=O)NNC(=O)c2ccc(Br)cc2)cc1 3612145 LGSZKKSCMFNZPS-UHFFFAOYSA-N 363.211 2.461 50 40 FEGB Cc1cccc(C(=O)N[C@H](C(=O)NNC(=O)c2ccccc2F)C(C)C)c1 5847675 IJMKHAGQABUCNK-KRWDZBQOSA-N 371.412 2.350 50 40 FEGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc2c1OCCO2 85409564 CYORCIMMOAOBQQ-KRWDZBQOSA-N 352.346 2.390 50 40 FEGB CCOC(=O)COc1ccccc1/C=N/NC(=O)c1ccc(C#N)cc1F 408964234 CIKBRXLVGGQKJC-SSDVNMTOSA-N 369.352 2.403 50 40 FEGB CCOC(=O)/C(C#N)=C/NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 102140270 ULVCPGZYXWZQOR-RSCROXIHSA-N 361.417 2.499 50 40 FEGB COc1ccc(/C=N/NC(=O)Cn2nc(C)c(Br)c2C)cc1 2333709 SOKNIZIDXMBJKU-CAOOACKPSA-N 365.231 2.421 50 40 FEGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C(=O)N1CCCC1 409005708 KBUQVHDLZCWMHA-KGENOOAVSA-N 351.406 2.338 50 40 FEGB O=C(Nc1ccc(F)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408679109 CEVJTXPESYSOKK-PTEOKISQSA-N 354.175 2.335 50 40 FEGB Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3c(C)nn(C)c3F)o2)n1 252490445 KTQBPGRDAUSQKS-UFWORHAWSA-N 358.377 2.086 50 40 FEGB Cc1cccc(C)c1NCC(=O)N/N=C\c1ccccc1OCC(=O)O 13285924 QPUUWCFZZBZDHV-FBHDLOMBSA-N 355.394 2.329 50 40 FEGB N#CC1=C(N)NC(C(C#N)C#N)=C(C#N)[C@H]1c1cccc(Br)c1 103668075 BVJBLSBQHFPMAD-CQSZACIVSA-N 365.194 2.271 50 40 FEGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc4c(c3)OCO4)ccc21 6388272 UZFNQVYBTKYBHB-UHFFFAOYSA-N 366.377 2.168 50 40 FEGB N#C/C(=C\c1ccccc1OCC(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1 409227202 UEZBLRZVIOEUCG-MDWZMJQESA-N 366.333 2.005 50 40 FEGB COc1cc(/C=N/NC(=O)CNc2ccccc2C)cc([N+](=O)[O-])c1O 35769755 NDNIPLGQTWWARP-DJKKODMXSA-N 358.354 2.180 50 40 FEGB COc1ccc(CC(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 7765192 LADFPMKQXYDMHQ-HNNXBMFYSA-N 356.422 2.469 50 40 FEGB Cc1cc(C)n(CC(=O)NNC(=O)c2cc3cc(Cl)ccc3nc2C)n1 25955797 QCPTVPUCRRRJAO-UHFFFAOYSA-N 371.828 2.471 50 40 FEGB CCOc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(N)=O)cc2)cc1 408760090 RKERKWOEXTYMKD-RVDMUPIBSA-N 365.389 2.495 50 40 FEGB CCc1cccc(N2C[C@H](C(=O)NNC(=O)c3ccc(F)cc3)CC2=O)c1 40058256 XWXAHPIBZKDUPB-OAHLLOKOSA-N 369.396 2.202 50 40 FEGB O=C(CCl)N(c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 40177628 IPPQJNOWEXKSCJ-LLVKDONJSA-N 355.765 2.464 50 40 FEGB CCS(=O)(=O)[C@H](I)[C@@H](O)c1ccccc1C 96519282 SFLGRVYPCIYBRP-QWRGUYRKSA-N 354.209 2.224 50 40 FEGB COc1cc(OC)c(C=NNC(=O)c2ccc3nc[nH]c3c2)c(OC)c1 245242005 WHJCMTWZGQTGCG-UHFFFAOYSA-N 354.366 2.353 50 40 FEGB CC(C)c1cc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cs1 373914 SISFLLOZVHOGGF-OAACRXHESA-N 350.440 2.379 50 40 FEGB CCOc1cc(/C=N/NC(=O)CNc2ccccc2)cc([N+](=O)[O-])c1O 59419181 CLCQVDBBCWDOFT-VXLYETTFSA-N 358.354 2.261 50 40 FEGB CCCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 27026086 RIOJKRAXNCBMEE-RBFDBLARSA-N 362.451 2.076 50 40 FEGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@H](c1cccnc1)C(C#N)=C(N)O2 2350986 NLVQIZSMRAUGAR-QGZVFWFLSA-N 360.373 2.411 50 40 FEGB C[C@H](NC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1ccccc1 408682702 GQIQWQFXPPMKOO-HATQACIHSA-N 364.239 2.435 50 40 FEGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 408963075 MGIDXCOSRXANMV-KEBDBYFISA-N 366.333 2.378 50 40 FEGB O=C(N/N=C/c1cccnc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 1095090 QZNNRRKVSIENTH-LPYMAVHISA-N 354.385 2.223 50 40 FEGB C=CCc1cc(C/C=C(\C#N)C(=O)N2CCOCC2)cc(OCC)c1O 5953402 HPCYERZQCRCGQY-REZTVBANSA-N 356.422 2.371 50 40 FEGB C/C(CC(=O)NC1CCCCC1)=N\NC(=O)C(=O)Nc1ccccc1C 5509337 CITMJTYNQMANBB-HYARGMPZSA-N 358.442 2.265 50 40 FEGB O=S1(=O)C[C@H](Br)[C@@](Br)(c2ccccc2)C1 3066886 DFPRPSAKDXJTRA-UWVGGRQHSA-N 354.063 2.469 50 40 FEGB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N/N=C/c1cccc2nccnc12 2398026 UZGVQUPRKIFMMC-HJGVYBFFSA-N 369.425 2.479 50 40 FEGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N2CCOCC2)c(C)n1CC(C)C 5180836 RIAWYBMLFVOOCP-VCHYOVAHSA-N 373.453 2.070 50 40 FEGB O=C(/C=C/c1cccc(F)c1)NNC(=S)NCc1ccc2c(c1)OCO2 6542314 PUEUJVOJPWJZKA-FNORWQNLSA-N 373.409 2.263 50 40 FEGB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2I 35682658 OSXULWILVPDVGY-SNVBAGLBSA-N 360.195 2.464 50 40 FEGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(O)c(O)c1 59369600 GQOYENZDJFCARC-QGMBQPNBSA-N 364.199 2.423 50 40 FEGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccc(C)c3)CC2=O)cc1 68933395 MZOBJXAIOYPRQP-MRXNPFEDSA-N 351.406 2.118 50 40 FEGB O=C(COc1cccc2cccnc12)NNC(=S)NCc1ccccc1 408588001 VTGJCEBXUMCUOJ-UHFFFAOYSA-N 366.446 2.309 50 40 FEGB COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1cccc(Cl)c1 5375445 CEVHYTBGKKWQSP-INIZCTEOSA-N 362.769 2.461 50 40 FEGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(C)cc(C)c2[nH]c1=O 876511 SRWDAGRGARGVBO-INIZCTEOSA-N 365.389 2.400 50 40 FEGB O=C(COc1ccc(C2SCCCS2)cc1)NNC(=O)C1CC1 14800745 WVIWRVQEANPKCS-UHFFFAOYSA-N 352.481 2.492 50 40 FEGB Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 5580750 GQALNQDYFMCIPQ-ZIAGYGMSSA-N 360.757 2.013 50 40 FEGB COc1ccc(/C=N/NC(=O)c2nc(O)c3cc([N+](=O)[O-])ccc3n2)cc1 4865271 GPBZLNWJZMUMGX-GIJQJNRQSA-N 367.321 2.016 50 40 FEGB CCc1sc(C(=O)NNS(=O)(=O)CCc2ccccc2)cc1C 32913180 NEQWOFRNLWUYMH-UHFFFAOYSA-N 352.481 2.426 50 40 FEGB COc1ccc(/C=N\NC(=O)[C@@H](C)n2cnc3ccccc3c2=O)cc1 31854609 UYDJUPWHHSMNJR-PJICWNCHSA-N 350.378 2.116 50 40 FEGB O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccccn2)cc1)c1ccccn1 3173754 LIIJMYCKVSTMEN-RNIAWFEPSA-N 372.388 2.004 50 40 FEGB COC(=O)[C@@H](Br)[C@@H](OC(C)=O)c1ccc(OC)c(OC)c1 1673150 QXFPBDSWSBVBSX-STQMWFEESA-N 361.188 2.245 50 40 FEGB CC1=C(C(=O)OC(C)(C)C)[C@]2(C(=O)Nc3ccc(F)cc32)C(C#N)=C(N)O1 1055097 FAZSBOXLYHLLPX-LJQANCHMSA-N 371.368 2.355 50 40 FEGB CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cc(C)c(CC)s2)C1 28419368 HNZFMMKXPRLOIM-GFCCVEGCSA-N 367.471 2.248 50 40 FEGB C[C@H]1C[C@H]1C(=O)NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 12822461 OUTANPYBFFNBNR-DTWKUNHWSA-N 368.315 2.014 50 40 FEGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1 6404954 SJNATEFINMVBIH-NSHDSACASA-N 366.776 2.473 50 40 FEGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc4c(c3)OCO4)[C@H]2C1 4631535 FGOGTSXHIWQPGK-QFBILLFUSA-N 373.416 2.161 50 40 FEGB O=C(Cc1ccc(Cl)cc1)NNC(=O)Cn1ccc(=O)c2ccccc21 69351475 ZNWMSJNDDBUNSL-UHFFFAOYSA-N 369.808 2.045 50 40 FEGB Cc1cc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc2n1 26975507 NMLGVBZVMJPEDM-SFHVURJKSA-N 363.373 2.144 50 40 FEGB O=C(NNS(=O)(=O)c1ccc(F)c(F)c1)c1cc2c(s1)CCC2 7379610 MXAZMZYGNOHQJQ-UHFFFAOYSA-N 358.391 2.138 50 40 FEGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(C#N)cc2)cc1 7842080 CGPIJJZDKSJSDV-ZDUSSCGKSA-N 353.378 2.185 50 40 FEGB CNC(=O)NNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C 84081326 RJLXXLRBCPEIKR-NTEUORMPSA-N 355.373 2.100 50 40 FEGB O=C(N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O)c1cccnc1 38161352 AGYDSVUVXIUKNQ-APSNUPSMSA-N 365.143 2.222 50 40 FEGB Cc1cccc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)c1 90454718 SEMUVSDFMYHXIE-OAHLLOKOSA-N 357.797 2.215 50 40 FEGB CCCc1[nH]nc2c1[C@]1(C(=O)N(C(C)C)c3ccccc31)C(C#N)=C(N)O2 6498898 XJLVWWFTLVBYAZ-HXUWFJFHSA-N 363.421 2.490 50 40 FEGB CC(=O)Oc1ccccc1/C=N/NC(=O)COc1ccccc1[N+](=O)[O-] 4721054 MKEZNNGBIWVCDU-VCHYOVAHSA-N 357.322 2.049 50 40 FEGB O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1cc(Br)ccc1O 15938965 QSZDYKBHNUGKJF-NSIKDUERSA-N 354.116 2.420 50 40 FEGB COc1ccc(-c2noc(CCC(=O)NNC(=O)c3ccccc3)n2)cc1 8728746 JXRCBCSUCBFVSD-UHFFFAOYSA-N 366.377 2.139 50 40 FEGB O=C(NNC(=O)c1cc2ccccc2oc1=O)c1cc(-c2ccccc2)n[nH]1 6173798 IJDAKFQAKPSNAA-UHFFFAOYSA-N 374.356 2.258 50 40 FEGB O=C(NNC(=O)c1ccc(Cl)cc1)C1=NN(c2ccccc2)C(=O)CC1 5638338 RQZSOVKPOSHTHU-UHFFFAOYSA-N 370.796 2.284 50 40 FEGB COc1cc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)cc(Cl)c1O 31871070 NPRBLARUVZJXFB-CPIUSTHESA-N 362.769 2.344 50 40 FEGB CCOC(=O)COc1ccc(/C=N\NC(=O)c2cccc(OC)c2)cc1 33729535 UNSCUOZFWGMHPT-NDENLUEZSA-N 356.378 2.401 50 40 FEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 58885017 CTISMOHNQRPZKV-XDHOZWIPSA-N 368.349 2.248 50 40 FEGB CN1C(=O)/C(=N/NC(=O)c2ccc(Cl)cc2)c2cc([N+](=O)[O-])ccc21 104813292 HFAKDDOIBCAHSJ-NBVRZTHBSA-N 358.741 2.359 50 40 FEGB COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccs2)cc1 2316438 ZZOTYRPUUKJNGH-CMDGGOBGSA-N 361.448 2.106 50 40 FEGB COc1cc(Cl)ccc1C(=O)NNC(=O)CCNC(=O)OC(C)(C)C 9315178 CHOCPIVETVRFHL-UHFFFAOYSA-N 371.821 2.024 50 40 FEGB O=C(N/N=C\c1ccccc1I)c1cccnc1 33423909 FKZLSOUOJDVLNR-SXGWCWSVSA-N 351.147 2.450 50 40 FEGB C[C@H](c1ccccc1)N1C[C@H](C(=O)NNC(=O)c2ccccc2)CC1=O 120086442 SDGHSHMXKRDFJH-RHSMWYFYSA-N 351.406 2.057 50 40 FEGB Cc1n[nH]c2c1[C@H](c1cc(O)c(Br)c(O)c1)C(C#N)=C(N)O2 708805 CYZPQMSFMBCIOL-LLVKDONJSA-N 363.171 2.110 50 40 FEGB O=C(CCl)NCc1cc(Cl)c(CNC(=O)CCl)c(Cl)c1O 1066324 MGICPDYTCWETKP-UHFFFAOYSA-N 374.051 2.409 50 40 FEGB Cc1cc2c(c(=O)n1CCN(C)C)[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2 2257926 PAZFEDQMWDRDNK-KRWDZBQOSA-N 368.412 2.076 50 40 FEGB CCN(CC)C(=O)CCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1 4681223 RTHDUSWBBMKVQQ-UHFFFAOYSA-N 359.348 2.115 50 40 FEGB COc1ccc2nc(C)cc(SC[C@@H](NC(=O)CCl)C(=O)O)c2c1 6719349 GZZCEXUGDGGIBH-CYBMUJFWSA-N 368.842 2.452 50 40 FEGB Cc1cccc(C)c1OCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 8496996 PWFFCKAHIJPJDQ-UHFFFAOYSA-N 368.349 2.063 50 40 FEGB Cc1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 408614494 CVVWZICBCKWLPL-CQSZACIVSA-N 371.824 2.463 50 40 FEGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1O 5475122 AQVQNXFMICMIHG-RGVLZGJSSA-N 355.394 2.497 50 40 FEGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)ccc1OC 2709994 SRCQGNWNUNHLPB-MRXNPFEDSA-N 353.378 2.309 50 40 FEGB Cc1cc(NNC(=O)c2ccccc2)nc(NNC(=O)c2ccccc2)n1 3082276 BEJPYSLGDVHNFW-UHFFFAOYSA-N 362.393 2.299 50 40 FEGB COc1ccc(CC(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 7765193 LADFPMKQXYDMHQ-OAHLLOKOSA-N 356.422 2.469 50 40 FEGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)cc1 59133344 NHEJUXBVBAFHLB-GXDHUFHOSA-N 351.362 2.105 50 40 FEGB CC(C)NC(=O)CC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 58914803 WYBYGCQJSVZZAS-VCHYOVAHSA-N 358.354 2.220 50 40 FEGB COc1ccc(C(=O)N/N=C/c2cn(CCC(N)=O)c3ccccc23)cc1 409262509 HNWRKXRIYCUDEI-WSDLNYQXSA-N 364.405 2.289 50 40 FEGB CC(C)OC(=O)COc1ccc(/C=N\NC(=O)c2cccc(O)c2)cc1 409190603 SPZHQPOJCICCJG-JAIQZWGSSA-N 356.378 2.487 50 40 FEGB N#C/C(=C\c1cc(Cl)ccc1OCC(N)=O)C(=O)Nc1ccc(O)cc1 409222134 BOFBTJDBOGAUBF-KPKJPENVSA-N 371.780 2.455 50 40 FEGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc2c1OCO2 34044610 QEVYVYPSEWQDPA-KRWDZBQOSA-N 366.329 2.371 50 40 FEGB COC(=O)NNC(=O)COc1ccc2ccccc2c1Br 2132466 FBJIKLLEMOTHEW-UHFFFAOYSA-N 353.172 2.368 50 40 FEGB COc1cccc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c1O 13847758 IBKOJEROHQOXJY-GIJQJNRQSA-N 359.338 2.147 50 40 FEGB C/C(=N\NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1cccs1 409139164 ASNBETQUZHAPDO-LFIBNONCSA-N 351.453 2.298 50 40 FEGB CCS(=O)(=O)[C@@H](I)C(=O)c1ccccc1F 96517964 IWPQWOQXJNBEMY-SNVBAGLBSA-N 356.156 2.204 50 40 FEGB C/C(=N\NC(=O)Cc1cccs1)c1ccc(S(=O)(=O)N(C)C)cc1 12529933 YMUZVKZZOACYRK-SFQUDFHCSA-N 365.480 2.081 50 40 FEGB CCc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3C)CC2=O)cc1 15692224 UEYOOSBYRKJYSO-MRXNPFEDSA-N 365.433 2.372 50 40 FEGB COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cn1 18053382 PISAMUYTMPXOPX-ZDUSSCGKSA-N 365.389 2.472 50 40 FEGB Cn1ncc2c1CCC[C@H]2NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 47002925 UKGATKPEQPQGSH-LUCWBJGKSA-N 371.485 2.344 50 40 FEGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=N\Nc1cccc(Cl)c1C 101139800 LZMGORVMUYBAEF-QNGOZBTKSA-N 360.801 2.008 50 40 FEGB CC(C)n1nc(C(=O)NNC(=O)C2CCCCC2)c2ccccc2c1=O 17196755 DKROTDLGRSOEHQ-UHFFFAOYSA-N 356.426 2.319 50 40 FEGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1OCC 33613689 XDBZYGIFFONWIP-DHDCSXOGSA-N 360.410 2.459 50 40 FEGB COc1ccccc1/C=N/NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 8169072 HCEOAYZPQPFLEF-FVUPAENESA-N 355.369 2.338 50 40 FEGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)Cc1ccc(OC)cc1 6581866 XTKFHVVABBQGJB-DEDYPNTBSA-N 367.361 2.308 50 40 FEGB O=C(NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 6883024 TUEKPAKRHAXHAY-UHFFFAOYSA-N 364.701 2.231 50 40 FEGB CC(=O)O[C@@H]1O[C@@H]([C@H](OC(C)=O)C(Cl)Cl)O[C@@H]1C(Cl)Cl 104210517 LUOZBBXRCMBWDB-QLSQZMLOSA-N 370.012 2.156 50 40 FEGB CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 408814534 ROSHLPRHHDLOEH-GXDHUFHOSA-N 353.353 2.496 50 40 FEGB COc1cccc([C@@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CCC3)c1 5433180 SBLCYVUMIFIKAC-MRXNPFEDSA-N 362.393 2.118 50 40 FEGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3)CC2=O)cc1C 408615427 QHKXYDDDXOQZGN-INIZCTEOSA-N 351.406 2.118 50 40 FEGB CCS(=O)(=O)[C@H](I)C(=O)c1cccc(F)c1 96517965 SIFRQTKCZPJYNQ-JTQLQIEISA-N 356.156 2.204 50 40 FEGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1OC 3059324 FTTVMSLAFYCVJV-VXLYETTFSA-N 361.785 2.446 50 40 FEGB COCCOc1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1OC 8106174 YPWUYJRMKZFWDM-FEMWLQECSA-N 367.405 2.478 50 40 FEGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccnc4)c32)cc1 720790 SVWXYVBFFHODKW-OAHLLOKOSA-N 373.372 2.476 50 40 FEGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1cc(Cl)ccc12 994139 OKUHJQIZVNSRAZ-QGZVFWFLSA-N 359.769 2.091 50 40 FEGB C=CCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C 58911484 CWFMYRJDTNIXCU-WSDLNYQXSA-N 352.438 2.463 50 40 FEGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 28214520 KQJQDKOGZDXIHV-VPNURPJOSA-N 371.462 2.323 50 40 FEGB C/C(=N\NC(=O)Cc1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 409362195 IEGCRNOPZMMGIE-XDHOZWIPSA-N 355.350 2.449 50 40 FEGB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCl)cc2)nc(C)n1 5579190 HKOIQRZZJUDBPY-UHFFFAOYSA-N 354.819 2.072 50 40 FEGB C/C(=N\OCC(=O)N/N=C1/C(=O)Nc2ccccc21)c1ccc(C)cc1 6814217 ZFTZOJGTMGOBAT-YDZHTSKRSA-N 350.378 2.208 50 40 FEGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(OC)c(OC)c(OC)c1 706734 LRHXIJMECIXFOZ-MRXNPFEDSA-N 374.393 2.357 50 40 FEGB COc1ccc(OCC(=O)NNC(=S)NCCCc2ccccc2)cc1 408588796 YZZQRRFXKRSMIO-UHFFFAOYSA-N 373.478 2.202 50 40 FEGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccncc4)c32)ccc1O 8566313 CXMNQNVGINWOJC-OAHLLOKOSA-N 361.361 2.404 50 40 FEGB CN(c1ccc(C(=O)N/N=C/c2cccc(Cl)c2)cc1)S(C)(=O)=O 409149215 ZEKMGZVHLWPEMS-WOJGMQOQSA-N 365.842 2.500 50 40 FEGB CC(C)(C)NC(=S)NNC(=O)COc1ccc(Br)cc1 8301845 KILONPWHBJAHAK-UHFFFAOYSA-N 360.277 2.122 50 40 FEGB C#CCOc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1 8336683 QICDZUCVXIDQIY-YBFXNURJSA-N 354.435 2.348 50 40 FEGB COC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/N(CCCl)CCCl 1724204 LMBVSKNWHPFDMH-VSGCLNPGSA-N 373.280 2.180 50 40 FEGB O=C(NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1cc(Br)c[nH]1 107327272 ALTHPFLFVDFQTP-OYNCUSHFSA-N 357.277 2.075 50 40 FEGB CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1cccs1 2057408 DAAWDBKEPKIMTB-ARFNDINWSA-N 373.434 2.382 50 40 FEGB CCOC(=O)C1=C(CBr)N(C)C(=O)N[C@@H]1c1ccccc1O 2258387 KUBBZVSATIZPAM-CYBMUJFWSA-N 369.215 2.300 50 40 FEGB C[C@H]1CN(c2ncc(/C=N/NC(=O)c3ccccc3O)s2)C[C@H](C)O1 4084967 XFRQGTAEGQNQDK-DYPKDEMNSA-N 360.439 2.226 50 40 FEGB O=C(/C=C/c1cc2ccccc2o1)NNC(=O)[C@@H]1COc2ccccc2O1 9954523 DBVQUTVGLBXCNQ-BBVFFXRHSA-N 364.357 2.433 50 40 FEGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OCC(=O)O)cc1 8496863 CNIAOODHDAEDMY-KEBDBYFISA-N 356.378 2.296 50 40 FEGB COC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)[C@H](C#N)C(=O)N1 859039 SUPKSHCRRGHWOL-IINYFYTJSA-N 361.810 2.335 50 40 FEGB CCCCC(=O)[C@H]1C(=O)[C@@H](Cl)C(C)(C)[C@](Cl)(C(=O)OC)C1=O 102969155 SMNDRXKKDMAWDI-ZVWUFJHRSA-N 351.226 2.298 50 40 FEGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 408742441 WNADJRQOXXRGDG-ZVCOJXFSSA-N 365.349 2.349 50 40 FEGB COc1cc(/C=N/NC(=O)c2cccnc2)cc(Br)c1O 863197 MUIAFWPIQKILRX-REZTVBANSA-N 350.172 2.322 50 40 FEGB N#C/C(C(=O)Nc1cccc(O)c1)=C1/C(=O)Nc2cc3c(cc21)OCCO3 61720016 HPTVFPYDDIOMMK-LGMDPLHJSA-N 363.329 2.031 50 40 FEGB C/C(=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1cccs1 5494549 ITAJCNARUJIYCN-FOWTUZBSSA-N 351.453 2.055 50 40 FEGB COc1ccc(/C(C)=N/NC(=O)CNc2ccc3c(c2)OCO3)c(OC)c1 409182351 KXXWNFDXWMBZHT-CIAFOILYSA-N 371.393 2.385 50 40 FEGB C(=N\CCC[Si]12OCCN(CCO1)CCO2)\c1c[nH]c2ccccc12 231944100 POUDPFVGMSZCHS-RGEXLXHISA-N 359.502 2.295 50 40 FEGB Cc1ccccc1C(=O)N1CCC(C(=O)N/N=C/c2ccccn2)CC1 1095058 DKFWJXZITKIKIO-HYARGMPZSA-N 350.422 2.393 50 40 FEGB COc1ccc(/C=N/NC(=O)Cc2nc(-c3ccccc3)n[nH]2)cc1OC 6230787 OPZFMDWZNSKTHM-UDWIEESQSA-N 365.393 2.182 50 40 FEGB NNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)c(Cl)cc1Cl 876496 VEWJOQBIGLDSHG-UHFFFAOYSA-N 366.270 2.162 50 40 FEGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc[nH]1 57407818 KENGBBOEMXTDJO-XSFVSMFZSA-N 374.466 2.343 50 40 FEGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCC(C)C)c2C)cc1 58903892 LITKORCCJAFJNR-WSDLNYQXSA-N 370.453 2.325 50 40 FEGB COc1ccc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 409258501 VHBDSPLLBGOQFT-OFNOZLENSA-N 367.405 2.207 50 40 FEGB Cc1ccc(C(=O)NNC(=O)c2csc(-c3cnn(C)c3)n2)c(C)c1 40142896 HQMQLNVQSYZGKM-UHFFFAOYSA-N 355.423 2.235 50 40 FEGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c1OC 5548657 PCWFYACPNNSZOQ-RGVLZGJSSA-N 355.394 2.409 50 40 FEGB CCCn1c(CCl)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 3415982 KFGCQYFBMOJOQY-UHFFFAOYSA-N 357.863 2.206 50 40 FEGB O=C(COC(=O)CCSc1ccccc1)NNC(=O)c1ccccc1 3321642 HQQNUEWEZRYKCY-UHFFFAOYSA-N 358.419 2.173 50 40 FEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccccc1C 1444605 YEBPEDSLWIPPDK-VXLYETTFSA-N 373.365 2.450 50 40 FEGB COc1ccc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1OC 727764 HDCUOWXGPGLCCG-UHFFFAOYSA-N 358.394 2.161 50 40 FEGB CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2C(=O)O)cc1 8559013 BIVRVNGHXXKEKM-UHFFFAOYSA-N 369.377 2.054 50 40 FEGB CC(C)n1nc(C(=O)NNC(=O)C[C@H]2C=CCC2)c2ccccc2c1=O 13001656 BNPFRSNZNGABRI-ZDUSSCGKSA-N 354.410 2.095 50 40 FEGB C[C@H]1CCc2sc(C(=O)NNC(=O)CCN3CCSC3=O)cc2C1 40007659 BWGMMLQUEPHMFJ-JTQLQIEISA-N 367.496 2.193 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 5515678 GWFDELYEMPVFCB-DZUMZMOTSA-N 355.394 2.031 50 40 FEGB CCCc1n[nH]c2c1[C@]1(C(=O)Nc3ccc(Cl)cc31)C(C#N)=C(N)O2 5488489 LAIRSANPPJYZRQ-QGZVFWFLSA-N 355.785 2.340 50 40 FEGB CCOC(=O)C1(C(=O)OCC)C[C@H](Br)[C@@H](Br)C1 1709934 DQDVFOYPTKTXHY-YUMQZZPRSA-N 372.053 2.420 50 40 FEGB CCN1CCN(C(=O)[C@]23CC[C@](C)(C(=O)[C@@H]2Br)C3(C)C)CC1 20290491 DHRDDRIHTXQAJH-VUCTXSBTSA-N 371.319 2.309 50 40 FEGB O=C(N/N=C/CCc1ccccc1)C(=O)N/N=C/CCc1ccccc1 17072703 QTODSEHFGCCUFW-YHARCJFQSA-N 350.422 2.456 50 40 FEGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3c(F)cccc3F)CC2=O)cc1 408614248 ADSDUQQWYVIMPU-GFCCVEGCSA-N 373.359 2.087 50 40 FEGB Cc1cc(C(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)[nH]n1 18136853 AKBMMMHKFDEQHA-NKFKGCMQSA-N 359.389 2.399 50 40 FEGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(O)cc1O 1500993 LSXBJEFUHMTELP-QGMBQPNBSA-N 364.199 2.423 50 40 FEGB O=C(N/N=C/c1ccc2c(c1)OCCO2)C(=O)Nc1cccc(Cl)c1 408718077 HOMOHJOAHWNUFZ-VXLYETTFSA-N 359.769 2.200 50 40 FEGB Cc1nnc(SCC(=O)NNC(=O)c2cccs2)n1-c1ccccc1 6045057 FARDBDSLOSBBGW-UHFFFAOYSA-N 373.463 2.191 50 40 FEGB C[C@H](CC(=O)NNC(=O)c1ccncc1)CC(=O)Nc1ccc(F)cc1 199423089 IGANJBODASDWSI-LBPRGKRZSA-N 358.373 2.037 50 40 FEGB CN(C)c1ccc(/C=N\NC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 31628839 MFNUMNHZUBBQSG-IWXNDQKYSA-N 352.442 2.486 50 40 FEGB CNC(=O)c1ccc(/C=C/C(=O)N/N=c2/sc3ccccc3n2C)cc1 102183530 CYGDHRYVKNJGRK-GTQMJYFKSA-N 366.446 2.245 50 40 FEGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(C)ccc2[nH]c1=O 876476 AYPOPHDQNGHDDP-KRWDZBQOSA-N 365.389 2.481 50 40 FEGB COC(=O)CC1=C(C(=O)OC)[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O1 808907 PUMPLGKYPFKWIG-AWEZNQCLSA-N 362.769 2.138 50 40 FEGB Cc1ccc(NCC(=O)NNC(=O)c2cnc3c(cnn3C(C)C)c2)cc1 12526616 JMFZZMYPNLYEPY-UHFFFAOYSA-N 366.425 2.194 50 40 FEGB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)NNC(=O)c2ccoc2C)c1 9643884 MBYSICXJXKVUCK-UHFFFAOYSA-N 371.422 2.279 50 40 FEGB CNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@H]3c1cccc(F)c1 8681072 ORBZWCTVLYWOON-SNVBAGLBSA-N 369.381 2.384 50 40 FEGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)Cc1ccccc1 409232292 PWYZPBAPVTZPDV-RCCKNPSSSA-N 353.422 2.225 50 40 FEGB C[C@@H](C(=O)N/N=C/c1cccs1)N(c1ccccc1)S(C)(=O)=O 408911354 NDZUUJLLKFVNNT-JASJWYONSA-N 351.453 2.053 50 40 FEGB COc1ncccc1CNC(=O)NNC(=O)c1oc2ccccc2c1C 32795230 IORRNLLCJXBHCT-UHFFFAOYSA-N 354.366 2.289 50 40 FEGB O=C(NNc1cc(N2CCCC2)nc(N2CCCC2)n1)c1ccccc1 707443 SBIMKWJCWBQRSQ-UHFFFAOYSA-N 352.442 2.434 50 40 FEGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)Nc2ccc(F)cc21 4198922 DPFLRYWVQDKFIN-LJQANCHMSA-N 353.353 2.383 50 40 FEGB O=C(CCc1c[nH]c2ccccc12)NNC(=O)COc1cccc(F)c1 6946598 RKNKGHAWSOCZMD-UHFFFAOYSA-N 355.369 2.466 50 40 FEGB O=C(NNC(=O)c1ccccc1F)c1ccc(=O)n(Cc2ccccc2)c1 16839229 ZOSNECYRUPVMAK-UHFFFAOYSA-N 365.364 2.111 50 40 FEGB O=C(CBr)Nc1ccc(NC(=O)CBr)cc1 1703361 WRTWJYGSNBGGRA-UHFFFAOYSA-N 350.010 2.353 50 40 FEGB CCOC(=O)Cc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 809329 YZHWWHCZKGKGJX-AWEZNQCLSA-N 358.785 2.387 50 40 FEGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)Cn1nccc1C 2263376 SUCRPWPMWLBUAI-VXLYETTFSA-N 356.817 2.489 50 40 FEGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1OC 13655752 OTDYLDGVJALXAR-INIZCTEOSA-N 353.378 2.309 50 40 FEGB C=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3[nH]nc(C(C)C)c32)c2ccccc21 6733522 HHQDJCBUPPSXSO-FQEVSTJZSA-N 361.405 2.438 50 40 FEGB C/C(CC(=O)Nc1cccc(C#N)c1)=N\NC(=O)c1ccc(O)cc1O 16137106 BHSSVCYTBXPRRO-SRZZPIQSSA-N 352.350 2.104 50 40 FEGB Cc1c(C)[n+]([O-])c2c([n+]1[O-])[C@@H](Br)CC[C@H]2Br 17595989 GTNBKVGTXZRNRF-OCAPTIKFSA-N 352.026 2.236 50 40 FEGB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NNC(=O)c1cc(C)oc1C)(C3)C2 26991057 IMHDXTYTEQEHIP-JNKARSBBSA-N 373.453 2.133 50 40 FEGB O=C(N/N=C/c1ccccc1O)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 18230022 WPQAUCUCIIGYPF-DJKKODMXSA-N 368.418 2.333 50 40 FEGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c1 5512180 WQOXQJHPBTXBOC-RGVLZGJSSA-N 374.393 2.494 50 40 FEGB CCOc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCC(N)=O 2768210 LDYZGAKZFWWDTD-XNTDXEJSSA-N 371.437 2.305 50 40 FEGB CCOC(=O)c1c(C)[nH]c(C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)c1C 33381692 WIBUZAKHAFCONZ-NVMNQCDNSA-N 358.354 2.480 50 40 FEGB O=C(NNC(=S)NC(=O)c1cccc(F)c1)c1ccc(Cl)cc1 6505773 FMMDQZHUHRBNHB-UHFFFAOYSA-N 351.790 2.428 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OC 3158541 SQDRDRUKCQFMSY-RQZCQDPDSA-N 374.309 2.284 50 40 FEGB C[C@H]1C[C@@H](NNC(=O)CCCc2nc(-c3cccs3)no2)CCO1 95468764 GLZWAITUKJJIQL-RYUDHWBXSA-N 350.444 2.309 50 40 FEGB COc1ccc(NC(=O)CCCl)cc1S(=O)(=O)N1CCCCC1 9913805 DWLQMXNIGDOHIN-UHFFFAOYSA-N 360.863 2.437 50 40 FEGB Cc1ccc(OCC(=O)N/N=C\c2cccc([N+](=O)[O-])c2O)c([N+](=O)[O-])c1 30856181 PTQJUPCZJXLJCC-IUXPMGMMSA-N 374.309 2.046 50 40 FEGB CS(=O)(=O)[C@H](I)C(=O)c1cccc(Cl)c1 96517905 RQBUSBGDTFANGS-VIFPVBQESA-N 358.584 2.328 50 40 FEGB N#C/C(=C\c1cn(CC(N)=O)c2ccccc12)C(=O)NCc1cccs1 781445 BADVNRXUWIYADR-MDWZMJQESA-N 364.430 2.411 50 40 FEGB COc1ccccc1/C=N/NC(=O)Cn1nc(C)c(Br)c1C 2426373 ROXBQDYZBRFEOX-CAOOACKPSA-N 365.231 2.421 50 40 FEGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H](C)COC)c1C 32944920 NQHWWSPKRWVCBK-YRUBURHZSA-N 361.442 2.116 50 40 FEGB CC(C)C(O)(C(=O)NN(C(=O)CN1CCCC1)c1ccccc1)C(C)C 2336221 OSMRPPHYKZCKFO-UHFFFAOYSA-N 361.486 2.190 50 40 FEGB COc1cc(/C=N\NC(C)=O)ccc1OCC(=O)Nc1ccc(C)cc1 409015363 RSLAFDZIPTWFSE-JAIQZWGSSA-N 355.394 2.491 50 40 FEGB CCN(CC(=O)NNC(=O)c1ccccc1)Cc1ccc(OC)c(F)c1 7814461 ULFBSWRGJHVXSF-UHFFFAOYSA-N 359.401 2.117 50 40 FEGB COc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)CCc1ccccc1 8111745 VKAXXZDHWXEUQH-UHFFFAOYSA-N 358.354 2.389 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Cl)c1OCC(=O)O 409038780 VUORJTKUKXXMOW-CNHKJKLMSA-N 366.757 2.477 50 40 FEGB COc1ccc(CC(=O)N/N=C\c2ccc(N3CCOCC3)cc2)cc1 409101970 ZMKHAMSVGZKXPB-QNGOZBTKSA-N 353.422 2.225 50 40 FEGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 36032828 ZFIWJXOTNFUNRD-VCHYOVAHSA-N 359.338 2.228 50 40 FEGB Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)NC(=O)CCS3)c(C)o1 26773975 ITUWUGGQJLZVNC-UHFFFAOYSA-N 359.407 2.406 50 40 FEGB COc1cccc(/C=N\NC(=O)c2cccc(O)c2)c1O[C@H](C)C(=O)O 409231467 JFEJVPSRKIXLIM-XEQXHXIFSA-N 358.350 2.017 50 40 FEGB O=C(CCNC(=O)c1ccccc1Br)NN=Cc1ccco1 254874004 MIGCZUACYVYXRW-UHFFFAOYSA-N 364.199 2.312 50 40 FEGB N[C@H](CCC(=O)Nc1ccc(N(CCCl)CCCl)cc1)C(=O)O 5933365 DQWJBOSCWQUFRX-CYBMUJFWSA-N 362.257 2.101 50 40 FEGB Cc1ccc(-n2ncc3c(=O)n(NC(=O)CCCCl)cnc32)cc1C 10251942 CPYFZXBHWSQRDW-UHFFFAOYSA-N 359.817 2.288 50 40 FEGB CNC(=O)/C(C#N)=C\c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 6545731 BBXCZWJAFWNYRM-WCSRMQSCSA-N 367.361 2.144 50 40 FEGB O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1cccc(F)c1 59034368 DFXVLYKEFGBJNN-VCHYOVAHSA-N 356.386 2.044 50 40 FEGB CC1(C)Cc2nc(-c3ccccc3)nc(NNC(=O)/C=C/C(=O)O)c2CO1 2400672 FEVMUGSUAZHLHY-CMDGGOBGSA-N 368.393 2.079 50 40 FEGB O=C(NNC(=O)c1[nH]nc2c1CCCC2)c1csc(-c2ccccc2)n1 8708793 VWKRFCRMIHTZCR-UHFFFAOYSA-N 367.434 2.487 50 40 FEGB C#CCOc1ccc(OC)cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1 408568694 WDGXSWGFWJHVHY-UNOMPAQXSA-N 353.334 2.379 50 40 FEGB O=C(NNS(=O)(=O)c1cc2nc(Cl)ccc2s1)C1CCCC1 585138500 WUODAEPEZWCOLT-UHFFFAOYSA-N 359.860 2.449 50 40 FEGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(F)cc1)S(C)(=O)=O 19954714 SCBZMMKEHNKJTD-YBFXNURJSA-N 363.414 2.050 50 40 FEGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1cc(Cl)ccc12 994140 OKUHJQIZVNSRAZ-KRWDZBQOSA-N 359.769 2.091 50 40 FEGB CC(C)CC(=O)NNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 7273240 LIZBGFDGMQLXMZ-UHFFFAOYSA-N 364.423 2.061 50 40 FEGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2c(C)cccc2C)c1O 855704 AUMOQVMXRISUPO-DJKKODMXSA-N 373.365 2.455 50 40 FEGB COc1cccc(C(=O)N/N=C/c2ccc(N3CCOCC3)c(F)c2)c1 409132061 OJVDXKFWGWSOCE-FYJGNVAPSA-N 357.385 2.435 50 40 FEGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc(C(F)(F)F)cc1 664091 ODBDEUSSRWLMGK-CYBMUJFWSA-N 364.279 2.369 50 40 FEGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(F)cc3)CC2=O)cc1F 41873616 DEFXGYUUIRTKCD-ZDUSSCGKSA-N 373.359 2.087 50 40 FEGB CC(C)NS(=O)(=O)C[C@]1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2Br 103411604 LHRRJWWOLCXNLP-JULQROHOSA-N 352.294 2.083 50 40 FEGB CCN(CC)CN1C(=O)/C(=N\NC(=O)Cc2ccccc2)c2ccccc21 20608619 HWMZABPAGLNQMO-ATJXCDBQSA-N 364.449 2.396 50 40 FEGB COc1ccc(F)c([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 19851956 WAJVMPHKGNJCRO-FUHWJXTLSA-N 363.396 2.189 50 40 FEGB Cc1ccc(NCC(=O)N/N=C/c2ccc(N3CCOCC3)o2)cc1C 409011302 GZGXORUEQPCPNZ-CIAFOILYSA-N 356.426 2.295 50 40 FEGB COc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c(OC)c1 8115039 IHTXKUMRFXHHPZ-VRCTWVPOSA-N 367.405 2.207 50 40 FEGB O=C(NNc1nc(N2CCCC2)nc(N2CCCC2)n1)Nc1ccccc1 109330552 FBGHEMATZYMHLI-UHFFFAOYSA-N 368.445 2.221 50 40 FEGB CCNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@H]3c1cccnc1 2236626 IVPJRMPYUVDAPH-SNVBAGLBSA-N 366.406 2.030 50 40 FEGB O=C(N/N=C/c1ccc(N2CCOCC2)s1)c1ccc2c(c1)OCO2 3475074 ODMVBGDVIZHMOM-VCHYOVAHSA-N 359.407 2.077 50 40 FEGB Cc1ccc(OCC(=O)N/N=C\c2ccccc2OCC(=O)O)c(C)c1 4714509 WGXGQGXJSFKORS-JMIUGGIZSA-N 356.378 2.296 50 40 FEGB O=C(C[S@@](=O)C/C=C/c1ccccc1)NNC(=O)c1ccc(F)cc1 69492943 KCNPWJKEWZNWIV-CIFMFNLYSA-N 360.410 2.049 50 40 FEGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)OCCO2 8429708 WCAVJIRKHSJPDQ-UHFFFAOYSA-N 356.422 2.435 50 40 FEGB CCCCCCCNC(=O)CCC(=O)NNC(=O)c1cccc(F)c1 98045229 JTOHSTKTBAARDT-UHFFFAOYSA-N 351.422 2.454 50 40 FEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccs1)c1cccc(Cl)c1 20209426 OOPIGOPXWBUAHL-CXUHLZMHSA-N 371.871 2.318 50 40 FEGB CCS(=O)(=O)[C@@H](I)[C@@H](O)c1cccc(C)c1 96519291 QSICNQUAPFNUBB-WDEREUQCSA-N 354.209 2.224 50 40 FEGB O=C(N/N=C/c1cccc(O)c1)C(=O)Nc1ccccc1Br 15223118 XYBKEKNWGJTSKY-RQZCQDPDSA-N 362.183 2.244 50 40 FEGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)CNc2ccc(C)cc2C)c1C 12543355 JGIYEYZJOKRLOH-UHFFFAOYSA-N 356.426 2.324 50 40 FEGB CC(C)NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1 408613288 YQZCHHFWHHJSLO-SRZZPIQSSA-N 357.385 2.379 50 40 FEGB C/C(=N\NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc2c3c(cccc13)CC2 96298059 TWVCHWZUKIUYTM-VRCTWVPOSA-N 371.462 2.149 50 40 FEGB O=C(CSc1ncccn1)N/N=C/c1ccc(Br)cc1 2246344 WPBPYCRARAEFAS-CAOOACKPSA-N 351.229 2.482 50 40 FEGB COc1c(O)ccc(/C=N\NC(=O)COc2cc(C)cc(C)c2)c1[N+](=O)[O-] 12859427 JWLVBGRRMOAKHZ-OCKHKDLRSA-N 373.365 2.455 50 40 FEGB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/NC(N)=O)cc1 4511039 NKYVCRKDFRYMQE-GIJQJNRQSA-N 367.814 2.418 50 40 FEGB C[C@@H]1CCC[C@H](N2C[C@H](C(=O)NNC(=O)C3CCCCC3)CC2=O)[C@@H]1C 9314033 LBDSDISCHJNTGW-SRABZTEZSA-N 363.502 2.387 50 40 FEGB C/C(=N\NC(=O)CN1CCN(Cc2ccccc2)CC1)c1cccc(O)c1 22860285 FDNLITOCZJJCTG-OQKWZONESA-N 366.465 2.050 50 40 FEGB C[C@H](C(=O)N/N=C/c1ccc(N(C)C)cc1)n1cnc2ccccc2c1=O 948562 RDINNYAYJURHET-LVCXCXRVSA-N 363.421 2.174 50 40 FEGB COc1cccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1O 8168727 JHGZLXAAIBUSBA-IMRMQAIZSA-N 371.368 2.043 50 40 FEGB Cc1cc(OCC(=O)NNC(=O)COc2cccc(F)c2)ccc1Cl 2662479 QBECPHFQIAUBDU-UHFFFAOYSA-N 366.776 2.393 50 40 FEGB Cc1cccc(OCC(=O)NNC(=O)c2ccc(OC(F)F)cc2)c1 6333125 INZNKHBZFUOADM-UHFFFAOYSA-N 350.321 2.436 50 40 FEGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N(C)C)cc1OC 59334305 PKBSCYMOLZZQRC-SDQBBNPISA-N 366.801 2.286 50 40 FEGB N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)C(=O)N1CCOCC1 4598717 WXCXGKBUPABOKQ-RVDMUPIBSA-N 352.346 2.411 50 40 FEGB COc1ccc(CC(=O)N/N=C\c2ccc(N3CCOCC3)c(F)c2)cc1 409133311 QDHWFAYROSPSNE-HMAPJEAMSA-N 371.412 2.364 50 40 FEGB Cn1cc([N+](=O)[O-])c(C(=O)N/N=C/c2cc3ccccc3nc2Cl)n1 6452667 LEAQKSOTVMATSX-REZTVBANSA-N 358.745 2.294 50 40 FEGB Cn1c(CC(=O)NNC(=O)Cc2c(F)cccc2Cl)nc2ccccc21 5267865 LEBGNAYMUCSJEI-UHFFFAOYSA-N 374.803 2.298 50 40 FEGB Cc1ccc(OCCOCCOc2ccc(/C=N/NC(N)=O)cc2)cc1 4510996 GYNAZEFVYZUGGB-KGENOOAVSA-N 357.410 2.472 50 40 FEGB O=C(CN1CCCCCC1=O)NNC(=O)c1c(Cl)cccc1Cl 84339019 BAONEPBYSOFWAP-UHFFFAOYSA-N 358.225 2.157 50 40 FEGB O=C(CNc1ccc(F)cc1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 409359925 OJBWIGHZPCBCAG-FBCYGCLPSA-N 360.301 2.025 50 40 FEGB CCc1ccccc1N(CC(=O)N/N=C/c1cccc(C)c1)S(C)(=O)=O 408771622 IEJMYXJSEUUERY-DEDYPNTBSA-N 373.478 2.474 50 40 FEGB O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1Cl 13622960 LIOVZNLSBKSPBY-AWEZNQCLSA-N 371.824 2.150 50 40 FEGB O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N/N=C/c1cccc([N+](=O)[O-])c1 101642525 PMUZCUNXOICBQD-CXUHLZMHSA-N 373.281 2.104 50 40 FEGB Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccco1 722443 DPLHPZYOWPBRRF-UHFFFAOYSA-N 353.172 2.191 50 40 FEGB O=C(NNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1O 7415904 PWWRKMFISLXVSU-UHFFFAOYSA-N 361.206 2.322 50 40 FEGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OC(=O)COc1ccccc1 959364 LPPRVUPOGRGLPM-NTEUORMPSA-N 352.346 2.072 50 40 FEGB COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc(OC)c1O 106201823 CEHFTBLDOGBJHW-VXLYETTFSA-N 357.366 2.132 50 40 FEGB O=C(N/N=C/c1c(Cl)nc2sccn12)[C@H]1COc2ccccc2O1 8107226 QRTOTTSMMTZJCS-KOSUEXCASA-N 362.798 2.339 50 40 FEGB CC(=O)NNc1nc(C)c(C(/C=C/c2ccc([N+](=O)[O-])cc2)=N\N)s1 17215491 IQHTWDZGXYNLKW-LKKZCKFMSA-N 360.399 2.199 50 40 FEGB COc1cc(OC)c(/C=N/NC(=O)c2cccc(NC(C)=O)c2)c(OC)c1 6186281 DXBMOHXFGYONGA-RGVLZGJSSA-N 371.393 2.435 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 5532779 GWFDELYEMPVFCB-HMHKGCENSA-N 355.394 2.031 50 40 FEGB Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 52411104 HSIZTFFGIQODRH-AWEZNQCLSA-N 371.824 2.463 50 40 FEGB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NNC(=O)c1ccccc1 48287508 VKKKEWUFVKUWHP-CQSZACIVSA-N 364.409 2.315 50 40 FEGB C=C1c2ccccc2C(=O)N1CCC(=O)NNC(=O)c1ccc(F)cc1 14205669 OTLKMKQQGMXVRI-UHFFFAOYSA-N 353.353 2.104 50 40 FEGB COC(=O)CC1=C(C(=O)OC)[C@H](c2ccccc2Cl)C(C#N)=C(N)O1 4966778 ONLKHIZMXHPVCX-CQSZACIVSA-N 362.769 2.138 50 40 FEGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1cnccn1 8194030 HZTSABQQOWAWHG-UHFFFAOYSA-N 369.208 2.404 50 40 FEGB Cn1nnc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)n1 1775937651 UNRLOLBVVYDTLZ-UHFFFAOYSA-N 352.514 2.287 50 40 FEGB O=C(NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1)c1ccc(F)cc1 16839231 XFLNHSNCCNTJSG-UHFFFAOYSA-N 365.364 2.111 50 40 FEGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)COC)cc2)cc1 2644672 RDNOZRIPSPUPRL-UHFFFAOYSA-N 358.394 2.072 50 40 FEGB COc1ccc(CCC(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1 3556727 LHDOZUPHSUSVPO-UHFFFAOYSA-N 358.394 2.106 50 40 FEGB O=C(N/N=C/c1ccc(I)o1)[C@H](O)c1ccccc1 1254505 BGXMWQLGJFRONI-AZZDOICSSA-N 370.146 2.068 50 40 FEGB Cc1cc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)on1 14165802 SMWUTBFWVCTWPK-UHFFFAOYSA-N 351.362 2.490 50 40 FEGB COc1ccc(OCC(=O)N/N=C\c2ccc(O[C@H](C)C(=O)O)cc2)cc1 408850636 PXZVTVLKKXYYGR-RBFBNPFJSA-N 372.377 2.076 50 40 FEGB Cc1ccc([C@@H](NC(=O)NN2CCN(C)CC2)C(Cl)Cl)cc1F 3170680 SVPMPOJNHBWQNK-CYBMUJFWSA-N 363.264 2.441 50 40 FEGB O=C(NNC(=S)NC[C@H]1CCCO1)Nc1ccc(Br)cc1 9189551 MDLGTRPJHJBRBH-LLVKDONJSA-N 373.276 2.129 50 40 FEGB CCOC(=O)[C@](O)(c1ccc(NC(=O)CCl)c(C)c1)C(F)(F)F 2286381 WPIOUYWSJMPSME-CYBMUJFWSA-N 353.724 2.485 50 40 FEGB CCOC(=O)c1cccc(OCC(=O)NNC(=O)Nc2ccccc2)c1 2562140 LCGIMGVAFGPPQZ-UHFFFAOYSA-N 357.366 2.095 50 40 FEGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 28214060 UYTBSQYCSXGCTI-AYPRBGQRSA-N 357.435 2.182 50 40 FEGB COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)N1CCOCC1 409120464 VWOSRGQZQMXXHH-WJDWOHSUSA-N 371.437 2.070 50 40 FEGB CCOc1ccccc1NC(=O)[C@@H](Cl)[C@](O)(C(=O)OC)C(F)(F)F 2769538 QWWNXYFXKXOVTR-MFKMUULPSA-N 369.723 2.098 50 40 FEGB CCOc1ccccc1OCC(=O)N/N=C/c1ccccc1OCC(=O)O 5467401 YVBAUCUXRZAOHZ-RGVLZGJSSA-N 372.377 2.078 50 40 FEGB CS(=O)(=O)[C@@H](I)[C@H](O)c1cccc(Cl)c1 96519157 SXFHGTUMENIBMX-RKDXNWHRSA-N 360.600 2.179 50 40 FEGB CC(C)(C)OC(=O)N1C[C@H]2C[C@H](CI)O[C@H]2C1 95829424 SVZZQMWNBGDULD-BBBLOLIVSA-N 353.200 2.446 50 40 FEGB C/C(=N\NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccccc1 19954734 QQOMLXFYLOZLMQ-XDJHFCHBSA-N 359.451 2.301 50 40 FEGB Cc1ccc(C(=O)NCC(=O)N/N=C/c2sccc2C)cc1[N+](=O)[O-] 4086400 SWLFOCCAAWJHDG-QGMBQPNBSA-N 360.395 2.153 50 40 FEGB C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc3ccccc3c2)C[C@@H](C)O1 24258609 WTIFYZYVOPZDFC-HUUCEWRRSA-N 355.438 2.100 50 40 FEGB O=C(COC(=O)c1occc1-c1cccs1)NNC(=O)c1ccco1 9575762 CEHSESOXHGHMAI-UHFFFAOYSA-N 360.347 2.219 50 40 FEGB COc1ccc([C@@H]2c3cc4c(cc3O[C@H](NNC(N)=O)[C@@H]2C)OCO4)cc1 5956701 GLLWVTQEQLAITJ-YZOQQBSESA-N 371.393 2.083 50 40 FEGB O=C(O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1 100149783 OOBGVVFRNDCBEK-LVTVNPDKSA-N 354.189 2.355 50 40 FEGB CCNC(=O)/C(C#N)=C/c1c(N2CCCCCC2)nc2ccccn2c1=O 2200328 CEYXJHUCNJXXCK-FYWRMAATSA-N 365.437 2.118 50 40 FEGB O=C(CSc1ncccn1)N/N=C/c1ccc(OC2CSC2)cc1 4320944 SHSIXJASZGTEMY-UFWORHAWSA-N 360.464 2.213 50 40 FEGB Cc1cc(C)cc(C[S@@](=O)CC(=O)NNC(=O)c2ccc(F)cc2)c1 69596233 ZKVILSJJVATSAU-VWLOTQADSA-N 362.426 2.152 50 40 FEGB C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)[C@H]1COc2ccccc2O1 4860552 OWTAEOJBWRXLRX-SLCIEKFFSA-N 354.362 2.159 50 40 FEGB COc1cccc(NC(=S)NNC(=O)c2c(C)nc3ccccn23)c1 7502160 PQALGGIATHRFNL-UHFFFAOYSA-N 355.423 2.283 50 40 FEGB Cc1ccc(C(=O)NNC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1 30017876 BPONZOKMZKSIFD-HUUCEWRRSA-N 368.437 2.078 50 40 FEGB O=C(NNC(=O)c1ccccc1O)/C(O)=C/C(=O)c1ccc(Cl)cc1 100932860 DMCZAZODFSSSJI-DHDCSXOGSA-N 360.753 2.131 50 40 FEGB COC[C@H](C)n1c(SCC(=O)/C(C#N)=C(/C)N)nc2ccccc2c1=O 104806937 XIRZTXRXAWABOD-CDZMIXDFSA-N 372.450 2.021 50 40 FEGB CC(C)=NNC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 408906560 HIBGXTYGGXYKCU-UHFFFAOYSA-N 352.243 2.271 50 40 FEGB Cc1ccsc1/C=N\NC(=O)CSc1nnnn1-c1ccccc1 408977628 XMTGIHWFIKQHEA-SXGWCWSVSA-N 358.452 2.275 50 40 FEGB CCC(=O)Nc1ccc(C(=O)NNC(=O)COc2cccc(C)c2)cc1 671128 UNQOOOWYRWKNPF-UHFFFAOYSA-N 355.394 2.184 50 40 FEGB CCCOC[C@@H](O)C[C@@H](CC)C(=O)NNC(=S)Nc1ccccc1 13496493 LTTUBZGAAXCKRI-HIFRSBDPSA-N 353.488 2.208 50 40 FEGB COC(=O)N1CC=C2[C@@H](C1)[C@H](c1cccc(C)c1)C(C#N)=C(N)C2(C#N)C#N 4473588 ZQSHQNSCVIUNIC-SJLPKXTDSA-N 373.416 2.487 50 40 FEGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1O)c1cncc(Br)c1 13617724 MECAUOJAQNTLGD-SOFYXZRVSA-N 365.143 2.222 50 40 FEGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc([N+](=O)[O-])s3)[C@H]2C1 16034411 HUFASBBJGJDBAN-WFASDCNBSA-N 366.406 2.011 50 40 FEGB Cc1cc(C)n2nc(SCC(=O)N/N=C/c3ccccc3F)nc2n1 680258 MJCRUGNTUHDFME-QGMBQPNBSA-N 358.402 2.123 50 40 FEGB O=C(COc1ccc(/C=N\NC(=O)c2ccco2)cc1)NCc1ccco1 58883176 WQUKIUPUPBEEND-NHDPSOOVSA-N 367.361 2.332 50 40 FEGB COCCn1c(C)cc2c(c1=O)[C@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 2214503 XJOMAANNUCWMLE-QGZVFWFLSA-N 367.405 2.030 50 40 FEGB Cn1cc(C(=O)NN[C@@H](C(=O)NC2CC2)c2ccccc2)c2ccccc21 8777353 FKKUCUFHPVGUQA-LJQANCHMSA-N 362.433 2.433 50 40 FEGB CC1(C)C(=O)[C@]2(Br)CC[C@]1(CC(N)=O)[C@H]2Br 109275409 JGRNXLIZHLAUNY-GGVZMXCHSA-N 353.054 2.148 50 40 FEGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 1479725 YKXVEIQCHXZARI-UHFFFAOYSA-N 363.757 2.397 50 40 FEGB CCCC(=O)NNC(=O)c1cc(Br)c(OCC)c(OC)c1 14190420 BUXSYJNNHIRREJ-UHFFFAOYSA-N 359.220 2.418 50 40 FEGB O=C(NNC(=O)c1cc(Br)c[nH]1)c1ccc2ccccc2n1 8122785 OLZAZWXWZMLPCI-UHFFFAOYSA-N 359.183 2.400 50 40 FEGB CCCCC(=O)NN/C(CC)=C1\C(=O)N=C(O)N(c2ccc(C)cc2)C1=O 16972336 KWWWVOQEHNZFIM-JQIJEIRASA-N 372.425 2.257 50 40 FEGB N#Cc1ccc(OCC(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)cc1 408563064 IDEARUAKZIFRNM-UHFFFAOYSA-N 353.300 2.127 50 40 FEGB O=C(NNC(=O)c1cc2ccccc2c(=O)s1)c1ccc([N+](=O)[O-])cc1 12030570 GKSQLWBBOOUYHN-UHFFFAOYSA-N 369.358 2.245 50 40 FEGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccccc1[N+](=O)[O-] 3117377 IEWODFHLPOKBOP-RQZCQDPDSA-N 374.309 2.041 50 40 FEGB C/C(=N\NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1cccs1 408906846 JBKHKZXPEDSQLY-VLURKWGBSA-N 365.480 2.443 50 40 FEGB C=CCOc1ccccc1CN1C(=O)/C(=N\NC(N)=O)c2ccccc21 46084955 FBOPENVLLIUYLN-FXBPSFAMSA-N 350.378 2.171 50 40 FEGB CCN1C(=O)/C(=N/NC(=O)c2ccccn2)c2cc(Br)ccc21 5903765 TZEJVSQVTJJAGG-XMHGGMMESA-N 373.210 2.345 50 40 FEGB CCOC(=O)/C(CC(=O)C(C)(C)C)=N/NC(=O)c1cccc([N+](=O)[O-])c1 4380604 OZLATQMMLMNFMU-QGOAFFKASA-N 363.370 2.249 50 40 FEGB CC(=O)Nc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1ccccn1 100523037 GWHAXXWVECEFSX-WSDLNYQXSA-N 353.382 2.175 50 40 FEGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N[C@H](C)COC)c1C 32944922 NQHWWSPKRWVCBK-LFMVTYOGSA-N 361.442 2.116 50 40 FEGB Cc1ccc(C(=O)NNC[C@@H](CO)C(=O)Nc2ccc(Cl)cc2)cc1 24841821 FHCWFHQEHKZWHU-AWEZNQCLSA-N 361.829 2.130 50 40 FEGB COc1cc(/C=N/NC(=O)CC#N)ccc1OCc1cccc(C(=O)O)c1 59248117 SVXPIASTHSDBBT-SRZZPIQSSA-N 367.361 2.336 50 40 FEGB CCOc1c(Br)cc(C(=O)NNC(=O)[C@H]2C[C@H]2C)cc1OC 14190428 GYLKIFKXOYWTGB-SCZZXKLOSA-N 371.231 2.273 50 40 FEGB CCc1cccc2c1NC(=O)/C2=N\NC(=O)COc1ccc(OC)cc1 5432094 CVTGFAYHBKNRQV-UHFFFAOYSA-N 353.378 2.109 50 40 FEGB C/C(=N\NC(=O)CN1CCN(Cc2ccc(C)cc2)CC1)c1cccnc1 19682659 BNNKOOJSTMOHLN-PTGBLXJZSA-N 365.481 2.048 50 40 FEGB COc1ccccc1C(=O)NNc1nc(NC(C)C)nc(NC(C)C)n1 27300377 PZYHKKHZFPKWRS-UHFFFAOYSA-N 359.434 2.278 50 40 FEGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c1 3092249 REIBAJLXRQKYMS-HMHKGCENSA-N 355.394 2.031 50 40 FEGB CCOC(=O)NNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 58342823 OVYZILHWPZYLTN-QWRGUYRKSA-N 354.382 2.222 50 40 FEGB Cc1ccc(SCC(=O)NNS(=O)(=O)c2cc(F)ccc2F)cc1 8108410 CMCFGJISXZPDKO-UHFFFAOYSA-N 372.418 2.375 50 40 FEGB Cc1nn([C@H](C)C(=O)N/N=C/c2ccc(N(C)C)cc2)c(C)c1[N+](=O)[O-] 5177584 SDQWAYRKXBSRFT-HVOBPNNYSA-N 358.402 2.185 50 40 FEGB Cc1ccc(C(=O)NNC(=O)N2CCN(Cc3ccsc3)CC2)cc1 21782263 QXMNYTUBVPCZPK-UHFFFAOYSA-N 358.467 2.229 50 40 FEGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2ccccc2O)cc1 100522593 UCPMOPLQKPRIEK-FYJGNVAPSA-N 355.394 2.213 50 40 FEGB C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1 12857210 MLRFHLXUWNTZQF-KRWDZBQOSA-N 368.389 2.431 50 40 FEGB O=C(N/N=C/c1cccc(Cl)c1)[C@@H](c1ccncc1)N1CCOCC1 20029176 PKVOURYNIIDCGC-VYVDHXHBSA-N 358.829 2.259 50 40 FEGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)c(Cl)c2)c1 59516249 POTIMZHKGYPFQT-VXLYETTFSA-N 361.785 2.446 50 40 FEGB CC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCCN(C)C)=C(C)N1 68605192 PDDPIGLWKHKQIB-GOSISDBHSA-N 370.409 2.458 50 40 FEGB biogenic C/C(CC(=O)NC[C@@H]1CCCO1)=N\NC(=O)Cc1ccc(Cl)cc1 101537772 GKYSILXFCJEMGC-SLDJAQPHSA-N 351.834 2.060 50 40 FEGB COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1cccnc1 409100814 WYIUJZYZICKCLX-FYJGNVAPSA-N 354.410 2.463 50 40 FEGB COC1=NN(CI)[C@@H](c2ccc([N+](=O)[O-])cc2)N=C1 978092 BRXWSICQFSJPEL-NSHDSACASA-N 374.138 2.332 50 40 FEGB CCCc1n[nH]c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 8568309 RFDHZFLVXWTVCC-CQSZACIVSA-N 356.382 2.303 50 40 FEGB NNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br 4837213 XAVJAYZSTTVETK-GXDHUFHOSA-N 360.211 2.210 50 40 FEGB O=C(NCCc1ccccc1)C(=O)N/N=C\c1cc([N+](=O)[O-])ccc1Cl 223163447 ZGQVRDWIKGYWIJ-JAIQZWGSSA-N 374.784 2.057 50 40 FEGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cccc(C)c2[nH]c1=O 876441 BRZXCAJCLUGOIK-HNNXBMFYSA-N 351.362 2.091 50 40 FEGB COc1ccc(-c2nn(CCC#N)cc2/C=C(/C#N)C(=O)O)cc1OC 12504721 IHKPAXMAZOOXQS-JYRVWZFOSA-N 352.350 2.473 50 40 FEGB CCOc1ccc(C(=O)NNC(=O)Cc2cccc(OC)c2)cc1OC 12692841 WLYOJDVGZGCPBG-UHFFFAOYSA-N 358.394 2.106 50 40 FEGB Cc1cc(C)c2c(c1)/C(=N\NC(=O)c1ccc(-n3cnnn3)cc1)C(O)=N2 36312678 VQOQSLQERLIGAD-UHFFFAOYSA-N 361.365 2.015 50 40 FEGB CCCc1n[nH]c2c1[C@@]1(C(=O)Nc3ccc(Cl)cc31)C(C#N)=C(N)O2 5488483 LAIRSANPPJYZRQ-KRWDZBQOSA-N 355.785 2.340 50 40 FEGB COc1ccccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 138744910 VCFRAGAAYUDPOG-SJSAEFMNSA-N 366.211 2.205 50 40 FEGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cc(C)cc(C)c2)ccc1O 13923758 YWBQVBZHHHDQRQ-RGVLZGJSSA-N 355.394 2.497 50 40 FEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1OC 7869802 BWMKIDPXVUBMJQ-CIAFOILYSA-N 371.368 2.488 50 40 FEGB Cc1cc(C)cc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 101309464 PLGZHUYDZGYSFG-YXEAAEFPSA-N 372.899 2.144 50 40 FEGB Cc1cc(OCC(=O)NNC(=O)CCc2c(C)noc2C)ccc1Cl 13011767 MDDYIQFFVHHROY-UHFFFAOYSA-N 365.817 2.412 50 40 FEGB O=C(CCC(=O)NC1CCCCC1)NNC(=O)Cn1ccc2ccccc21 4676587 BWDJGJLWVRSBLI-UHFFFAOYSA-N 370.453 2.018 50 40 FEGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N3CCCC3)c2C)cc1 408987442 XTHZQWULQAENDS-FYJGNVAPSA-N 352.438 2.475 50 40 FEGB CCOc1ccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(C)(=O)=O)cc1 19955034 FVKFMBXVOOAGAW-QGOAFFKASA-N 369.487 2.390 50 40 FEGB C[C@H](Oc1ccccc1)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl 840361 REJZLXJLHRNXMA-JTQLQIEISA-N 363.757 2.477 50 40 FEGB O=C(C[C@H]1CSc2ccccc2NC1=O)NNC(=O)c1cccs1 984128 PPKNNXUONDANJR-JTQLQIEISA-N 361.448 2.260 50 40 FEGB COc1cc(/C=N/NC(=O)CNc2ccccc2C)ccc1OC(C)=O 1054317 HYDVOPMFYHNGFQ-SRZZPIQSSA-N 355.394 2.491 50 40 FEGB CC1(C)C(=O)[C@]2(Br)CC[C@]1(CC(N)=O)[C@@H]2Br 103708652 JGRNXLIZHLAUNY-SWPVVBRQSA-N 353.054 2.148 50 40 FEGB COC(=O)COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC 409232502 ITOYWEPVBKVFSI-NHDPSOOVSA-N 374.368 2.079 50 40 FEGB COc1ccc(OCC(=O)N/N=C/c2ccccn2)c(Br)c1 779745 HEDQLUUNAWOTDW-GIJQJNRQSA-N 364.199 2.382 50 40 FEGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(N)=O)cc2)c1 408760232 UWTCTYNQPIHCKU-XNTDXEJSSA-N 365.389 2.495 50 40 FEGB O=C(COc1cccc2ccccc12)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 17075855 YSQDSKJOTQOSOT-HOTGVXAUSA-N 370.405 2.257 50 40 FEGB COC(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 409015990 TXOFLOUJGVNPJD-LICLKQGHSA-N 352.343 2.283 50 40 FEGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OCC(=O)OC)cc2)cc1 408712036 WVEWLMPPUSJUFI-BKUYFWCQSA-N 370.405 2.330 50 40 FEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1ccccc1[N+](=O)[O-] 408598587 FBEOJVSOIPRPQF-RQZCQDPDSA-N 374.309 2.284 50 40 FEGB CC(=O)Nc1ccc(SCC(=O)NNC(=O)c2cc(C)oc2C)cc1 15834659 CNNJQNXPEJHSHS-UHFFFAOYSA-N 361.423 2.408 50 40 FEGB CCc1ccc2c(CC(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)coc2c1 25042807 GTUBNOBXSSJVBU-OAHLLOKOSA-N 364.467 2.030 50 40 FEGB Cc1noc2nc(C3CC3)cc(C(=O)NNC(=O)c3cccc(O)c3)c12 12623374 BZKZMPMOZRFJDR-UHFFFAOYSA-N 352.350 2.189 50 40 FEGB Cc1cc(C)nc(NNC(=O)COc2ccc(Br)cc2)n1 11333998 ZWHCFKMAQLALFG-UHFFFAOYSA-N 351.204 2.378 50 40 FEGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1)C(N)=O 9235567 RBUVHZONFWZUHN-KPKJPENVSA-N 357.316 2.375 50 40 FEGB CCOC(=O)COc1ccccc1/C=N/NC(=O)COc1ccccc1C 822502 TVXVLTHVLJAELJ-CIAFOILYSA-N 370.405 2.466 50 40 FEGB CCCCc1[nH]nc2c1[C@@]1(C(=O)N(CC)c3ccccc31)C(C#N)=C(N)O2 5075234 FICOBMFPLIKODX-FQEVSTJZSA-N 363.421 2.491 50 40 FEGB O=C(O)c1ccccc1N[C@@H]1SC(=O)N(CCBr)C1=O 12113061 XOAUKKXUBXKOKN-SECBINFHSA-N 359.201 2.213 50 40 FEGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccccn2)S(C)(=O)=O)cc1 6346543 REFNCPJPBFNSND-UDWIEESQSA-N 374.466 2.121 50 40 FEGB COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1OC 12292753 OXTZIGYHOXVWQP-CYBMUJFWSA-N 358.394 2.241 50 40 FEGB CN(CC(=O)N/N=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 6544430 SSMXETCBALNLMY-WOJGMQOQSA-N 365.842 2.111 50 40 FEGB COc1c(O)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1[N+](=O)[O-] 8783201 NEBSORNIRIXCGU-AWEZNQCLSA-N 357.322 2.124 50 40 FEGB N#CC1=C(N)Oc2nc(O)[nH]c(=O)c2[C@@H]1c1cccc(Oc2ccccc2)c1 1256264 AWRAGXJXAKKRKL-OAHLLOKOSA-N 374.356 2.486 50 40 FEGB N#C/C(=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(=O)NCc1ccccc1 408747317 MBCVXDPTUBDYKZ-MLPAPPSSSA-N 368.305 2.432 50 40 FEGB CCOc1ccc(/C=N/NC(=O)C(=O)N2CCc3ccccc3C2)cc1 408720263 KNEMMEHASXWIHA-FYJGNVAPSA-N 351.406 2.120 50 40 FEGB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 408995407 CJMQGGSFQPHBEE-LICLKQGHSA-N 357.326 2.333 50 40 FEGB CCOc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1ccc(C)cc1 13747226 FHWHAWIQNIVJSL-SRZZPIQSSA-N 370.409 2.413 50 40 FEGB CC(C)N1C(=O)/C(=N\NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 100085883 LFWSKCUVXANQCT-FQMKLWGBSA-N 365.389 2.102 50 40 FEGB Cc1cc(C)n2nc(SCC(=O)N/N=C/c3ccc(F)cc3)nc2n1 680254 FFAAOKDPCKWKMU-QGMBQPNBSA-N 358.402 2.123 50 40 FEGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2C)c1 59516013 OEVFWTQJPFNICV-RGVLZGJSSA-N 355.394 2.409 50 40 FEGB O=C(N/N=C/c1coc2c(Cl)cc(Cl)cc2c1=O)[C@H]1CCCN1 1871217 XOKJENVDTYYODU-PGMACEPVSA-N 354.193 2.302 50 40 FEGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(N(C)C)cc1 59433988 OWORLNBUONACOV-UDWIEESQSA-N 354.410 2.158 50 40 FEGB CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1 408994468 HTQURLLSODTSKQ-CIAFOILYSA-N 369.421 2.450 50 40 FEGB Cc1ccc(N(CC(=O)NN=C2CCCC2)S(C)(=O)=O)cc1Cl 408786957 YPBZGEVPFUKWJW-UHFFFAOYSA-N 357.863 2.461 50 40 FEGB CSC1=N[C@@](NC(=O)c2ccc(Cl)cc2)(C(Cl)Cl)C(=O)N1 101426475 MOHCXRMATJRBFX-LBPRGKRZSA-N 366.657 2.419 50 40 FEGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@@H]1OC(=O)c2ccccc21 32999501 MCHMPGSAOZPUGB-BZNIZROVSA-N 372.352 2.042 50 40 FEGB O=C(NNS(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1 2767563 YKLCQCMKCMHXMG-UHFFFAOYSA-N 370.228 2.464 50 40 FEGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCC(=O)O 59334654 NDGMCOPDXBPBNK-WZUFQYTHSA-N 352.774 2.197 50 40 FEGB O=C(Cc1ccc(F)cc1)NNS(=O)(=O)c1ccc(F)c(Cl)c1 7388047 OHEXCBOTQRRKDN-UHFFFAOYSA-N 360.769 2.170 50 40 FEGB COc1ccc(CC(=O)NNC(=O)c2ccc(OC(C)C)cc2)c(OC)c1 17293830 QVCUMROIWSZHFQ-UHFFFAOYSA-N 372.421 2.495 50 40 FEGB Cc1ccc(C)n1NC(=O)/C(C#N)=C/c1cc2c(cc1[N+](=O)[O-])OCO2 409385016 GLERMPFRNXEVCF-WLRTZDKTSA-N 354.322 2.419 50 40 FEGB COc1ccc(/C=N/NC(=O)COc2cccc([N+](=O)[O-])c2)cc1OC 889157 ZQLKDQILRQXSMY-VCHYOVAHSA-N 359.338 2.141 50 40 FEGB O=C(NNC(=O)c1cc(O)nc2ccccc12)c1cc(-c2ccccc2)n[nH]1 15841895 WBLXTHVIVXJVHW-UHFFFAOYSA-N 373.372 2.405 50 40 FEGB CN1C(=O)/C(=N/NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2ccccc21 6452647 BDMVCDQLLQLGGG-QZPKHCKVSA-N 350.334 2.105 50 40 FEGB CCNC(=O)NNC(=O)c1cc2cc(Br)cc(OC)c2o1 408566069 DERONUHFJCUBJD-UHFFFAOYSA-N 356.176 2.168 50 40 FEGB CCCCC(=O)NN/C=C1\C(=O)N(c2ccc(OCC)cc2)C(=O)N=C1O 38177960 DHPAOFIMSCAOCS-KAMYIIQDSA-N 374.397 2.203 50 40 FEGB N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@@H]1c1ccccc1C(=O)O 1070337 LFFYQRWJUBIHQS-CQSZACIVSA-N 359.345 2.388 50 40 FEGB CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(O)c([N+](=O)[O-])c1 408786908 XGZRITLAZHXBMZ-OQFOIZHKSA-N 354.160 2.494 50 40 FEGB COC(=O)c1c(NC(=O)C(=O)NNc2ccccc2)sc2c1CCC2 6764403 XHWRCFGKVWXVSB-UHFFFAOYSA-N 359.407 2.105 50 40 FEGB O=C(N/N=C/c1c(Cl)nc2sccn12)[C@@H]1COc2ccccc2O1 8107227 QRTOTTSMMTZJCS-SMWBLXLWSA-N 362.798 2.339 50 40 FEGB N#C/C(=C/c1ccc([N+](=O)[O-])o1)C(=O)N1CCN(c2ccccc2)CC1 408779424 WSCOSBXVMMVKHC-OWBHPGMISA-N 352.350 2.444 50 40 FEGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCn1cccn1 45191738 QOEXPEUZQYGONS-UHFFFAOYSA-N 355.423 2.166 50 40 FEGB CS(=O)(=O)[C@@H](I)[C@@H](O)c1ccc(Cl)cc1 96519175 PXAXTLZYDOFACQ-DTWKUNHWSA-N 360.600 2.179 50 40 FEGB C[C@H](Oc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)O 12406537 ALJUMNKGLDOMDC-HPAYWCODSA-N 357.322 2.211 50 40 FEGB CC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc(C(=O)OC)cc1 8733210 UONOZRUUOUTQLP-GFCCVEGCSA-N 371.231 2.092 50 40 FEGB COC(=O)COc1cccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)c1 8811114 GIXJTIZOVXGPFP-RGVLZGJSSA-N 372.377 2.020 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC 3027443 YTQFLUZJBJTZMG-RGVLZGJSSA-N 372.377 2.248 50 40 FEGB COc1ccc(CCC(=O)NNC(=O)Nc2ccc(OC)c(OC)c2)cc1 15934319 LIKICSAMLZKAFA-UHFFFAOYSA-N 373.409 2.498 50 40 FEGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)C(C)(C)C)S(C)(=O)=O 408787250 VUKHVEUCBUGFSX-QGOAFFKASA-N 369.487 2.308 50 40 FEGB N#CCC(=O)N/N=C(\N)CSc1ncc(C(F)(F)F)cc1Cl 3128453 JULXKUYYOAUVON-UHFFFAOYSA-N 351.741 2.148 50 40 FEGB COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@@H](C#N)C(=O)N1 859034 SUPKSHCRRGHWOL-YGRLFVJLSA-N 361.810 2.335 50 40 FEGB CC1(C)OC(=O)C(=C2[C@@H]3[C@@H]4[C@H]5C[C@@H]3[C@H]3[C@H]2[C@@H]([C@@H]53)[C@@H]4Br)C(=O)O1 100012042 RJGIOBOOMIYNRD-BYNLTEPXSA-N 365.223 2.270 50 40 FEGB O=C(N/N=C/C=C/c1ccc2c(c1)OCO2)[C@H]1COc2ccccc2O1 2328902 HFDXFUZRSIKREF-BOFOJKQUSA-N 352.346 2.371 50 40 FEGB CCOC(=O)c1c(C)[nH]c(/C(C)=N/NC(=O)Cn2nc(C)cc2C)c1C 6687000 GGMNVOWAKUXTIM-XSFVSMFZSA-N 359.430 2.162 50 40 FEGB O=C(COC(=O)c1cc(F)c(F)cc1Cl)NNC(=O)c1cccs1 7778550 QQHCECSRVKHWJR-UHFFFAOYSA-N 374.752 2.298 50 40 FEGB O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1ccccc1F 408729214 AMHUFXFHGYGLSA-DJKKODMXSA-N 358.764 2.283 50 40 FEGB COc1ccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)cc1Cl 40177548 RHDHTPSSCSNEOS-SNVBAGLBSA-N 352.239 2.108 50 40 FEGB NS(=O)(=O)c1ccc(NC(=O)NNc2nc3ccccc3s2)cc1 16500237 DHUJJLWXLGIUDW-UHFFFAOYSA-N 363.424 2.092 50 40 FEGB COc1ccc(/C(C#N)=C2\Oc3cc(C#N)c(C#N)cc3N(O)C2=O)cc1 36559096 ZCCXHSBCXDXSGU-SDXDJHTJSA-N 358.313 2.488 50 40 FEGB CN1CCC(=NNC(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 107735754 USGRNXURIGYUNM-UHFFFAOYSA-N 356.348 2.232 50 40 FEGB Cc1cc(C)n2nc(C(=O)N/N=C/c3c(O)ccc4ccccc34)nc2n1 1005552 UNSPHXVIMGXNKT-KEBDBYFISA-N 360.377 2.364 50 40 FEGB CSc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@@H]3c1cccnc1 15085505 DRDCYBJWSUEGFI-VIFPVBQESA-N 369.431 2.320 50 40 FEGB CCOC(=O)Cc1[nH]nc2c1[C@H](c1ccc(F)cc1F)C(C#N)=C(N)O2 662516 RNRCQPGDTRMCKF-CQSZACIVSA-N 360.320 2.012 50 40 FEGB C=CCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(C)ccc2C)c1C 58911487 VSFKIJVBZKMWTO-WSDLNYQXSA-N 352.438 2.463 50 40 FEGB CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 57509004 JPXAXXFCUGNEEY-AWEZNQCLSA-N 354.790 2.114 50 40 FEGB O=C(CNC(=O)c1cc2ccccc2[nH]1)NNC(=O)c1cccc(Cl)c1 72302683 GIDUVQPAZINHPV-UHFFFAOYSA-N 370.796 2.012 50 40 FEGB C#CCN1C(=O)/C(=N\NC(=O)c2cc(Cl)ccc2O)c2ccccc21 6021229 OEZNCIQRCVUIPE-SILNSSARSA-N 353.765 2.160 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OC)c1OC 408966050 JQKBTDCPVYVJGD-UFFVCSGVSA-N 357.341 2.487 50 40 FEGB CCOC(=O)/C(C#N)=C/NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 84791149 ULVCPGZYXWZQOR-UDKOXHGFSA-N 361.417 2.499 50 40 FEGB COc1ccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 40177466 YUKMNJZKKKJOOG-SECBINFHSA-N 352.239 2.108 50 40 FEGB CN(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1ccc(Cl)cc1 8042705 CZRFTPIOQMBTPD-CXUHLZMHSA-N 371.871 2.172 50 40 FEGB COc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])cs2)cc(OC)c1OC 1023495 AUMUMEXFBSRCIK-FRKPEAEDSA-N 365.367 2.446 50 40 FEGB CN(C)c1ccc(/C=N\NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 36077415 KIUYDUNGNKXBGX-NHDPSOOVSA-N 358.829 2.286 50 40 FEGB Cc1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 408614911 JQQXAJTZZSNXGR-QGZVFWFLSA-N 365.433 2.426 50 40 FEGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 4525737 WZAFINVYWZKNRZ-WOJGMQOQSA-N 356.338 2.082 50 40 FEGB CCS(=O)(=O)[C@@H](I)C(=O)c1ccccc1C 96517968 FPVPFJWLIGGWHD-LLVKDONJSA-N 352.193 2.374 50 40 FEGB Cc1ccc(-c2n[nH]c(SCC(=O)NNC(=O)c3ccccc3)n2)cc1 5866129 VPJCLRNJXFDEEZ-UHFFFAOYSA-N 367.434 2.333 50 40 FEGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 5569658 OWBDHMAZWJGSAF-VXLYETTFSA-N 360.757 2.015 50 40 FEGB Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccc(C(=O)O)cc1 20086087 FUVAVTXAFJBXRN-MRXNPFEDSA-N 373.368 2.455 50 40 FEGB Cn1c(=O)n(C)c2cc(/C=N/NC(=O)COc3ccc(Cl)cc3)ccc21 657601 MWVDWQWOADSIBT-KEBDBYFISA-N 372.812 2.060 50 40 FEGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C2=C1CC(C)(C)CC2=O 4517096 AXSTZJOYIUKAFF-QFIPXVFZSA-N 373.412 2.129 50 40 FEGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccccc1NC(=O)c1ccco1 104681444 FXQBZTQRRPDJHU-QBFSEMIESA-N 353.334 2.014 50 40 FEGB C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)c1ccccc1N 100923082 VDROLMJLXHVCQH-RGVLZGJSSA-N 355.354 2.312 50 40 FEGB COc1cc(/C=N/NC(=O)COc2cccc(C)c2)c(O)c([N+](=O)[O-])c1 36026117 GQZLVFJFIIOYBL-GIJQJNRQSA-N 359.338 2.147 50 40 FEGB O=C(NNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1F 8746136 GVXZEUGUFJCPDX-UHFFFAOYSA-N 373.203 2.212 50 40 FEGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCC(=O)O 409239633 ZTSAUFIZXRKVKN-NHDPSOOVSA-N 374.368 2.381 50 40 FEGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1C 38186540 QMTZRDURWZFJQY-GIJQJNRQSA-N 356.338 2.006 50 40 FEGB O=C/C(=C/Nc1ccc(S(=O)(=O)CCO)cc1)c1nc2ccccc2o1 5338673 CWKASLSOJPSYBR-QBFSEMIESA-N 372.402 2.246 50 40 FEGB Cc1cc(N(CCCl)CCCl)ccc1C=C1C(=O)NC(=O)NC1=O 1687811 MNBDVXQOFMRFFV-UHFFFAOYSA-N 370.236 2.028 50 40 FEGB O=C(NNC(=O)N1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1 53954790 OECMVMHXJUIFFJ-UHFFFAOYSA-N 370.428 2.040 50 40 FEGB O=C(Cc1ccc(Cl)cc1)NNC(=S)NC(=O)c1cccs1 2316304 INFRPCWWCZSIMD-UHFFFAOYSA-N 353.856 2.280 50 40 FEGB COc1cccc(CC(=O)NNC(=S)NCCCc2ccccc2)c1 408586784 QTRADCOZCHLQPO-UHFFFAOYSA-N 357.479 2.366 50 40 FEGB COc1cccc(C(=O)N/N=C/c2cccc(OC)c2O[C@@H](C)C(=O)O)c1 409244662 GZIOHNKCNBCBFZ-DQAKUKQTSA-N 372.377 2.320 50 40 FEGB O=C(NNc1c(F)c(F)c(F)c(F)c1F)c1n[nH]c(=O)c2ccccc12 14077068 HRMLOSIHEQZMCC-UHFFFAOYSA-N 370.237 2.376 50 40 FEGB O=C(NCc1ccncc1)C(=O)N/N=C/c1c(Cl)cccc1Cl 409185144 JUXHHIXXUMCHAB-AWQFTUOYSA-N 351.193 2.155 50 40 FEGB Cc1ccc2c(CC(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)coc2c1C 24973998 UHTBVQBQCYQCFR-HNNXBMFYSA-N 364.467 2.084 50 40 FEGB COc1ccc(C(=O)NNC(=O)c2ccc(C)cc2C)c(OC)c1OC 14197066 XEXBTLHKARSMMO-UHFFFAOYSA-N 358.394 2.404 50 40 FEGB CCOc1ccc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 6788821 DFKLWMCXADIPSE-UHFFFAOYSA-N 373.434 2.200 50 40 FEGB Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2cccs2)c(C)c1 32119006 UEPPFRFBNKJELC-UHFFFAOYSA-N 363.464 2.079 50 40 FEGB Cc1n[nH]c(C)c1/C=C(\C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 40114087 GMNJJWMYPPWAKX-VZUCSPMQSA-N 369.337 2.252 50 40 FEGB CC1(C)OC(=O)C(=C2[C@H]3[C@H]4[C@H](Br)[C@H]5[C@H]2[C@H]2C[C@@H]5[C@@H]4[C@@H]23)C(=O)O1 169797355 RJGIOBOOMIYNRD-VJWIJBJQSA-N 365.223 2.270 50 40 FEGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 5512860 BHVCVSJKKFPWAM-LPYMAVHISA-N 367.405 2.027 50 40 FEGB C=CCOc1c(Br)cc(/C=N/NC(=O)CC#N)cc1OC 2773829 SKCHRAHIWOYBOV-RQZCQDPDSA-N 352.188 2.386 50 40 FEGB O=C(CCC(=O)c1cccs1)NNC(=O)COc1ccc(F)cc1 6208427 LBVKQTBQPWTMEC-UHFFFAOYSA-N 350.371 2.077 50 40 FEGB CCCOc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1OCC 3067346 FLNKXFCUESXPLZ-XSFVSMFZSA-N 361.442 2.337 50 40 FEGB CCc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(C)cc3)CC2=O)cc1 8353865 LTFYJQPZTWKHCR-QGZVFWFLSA-N 365.433 2.372 50 40 FEGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)OC)NC(=O)[C@@H]1C#N 1245101 XVCBYHOUYXCIKS-MLGOLLRUSA-N 371.418 2.080 50 40 FEGB CCc1ccc(CC(=O)N/N=C\c2ccc(OCC(=O)OC)cc2)cc1 409361203 ATLBRRYEYPPCLV-BKUYFWCQSA-N 354.406 2.494 50 40 FEGB Cc1cc(C(=O)NNC(=O)C[C@H]2Sc3ccccc3NC2=O)c(C)o1 6558053 WWCNOTHCYIMBOT-CQSZACIVSA-N 359.407 2.161 50 40 FEGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccccc2Cl)cc1 223157053 SJXXHUGFRXHNIR-GRSHGNNSSA-N 359.769 2.215 50 40 FEGB CCO[Si](CCCCCCS(=O)(=O)N[N+]#N)(OCC)OCC 255187636 FTOWUTMTUMAAKE-UHFFFAOYSA-N 354.525 2.283 50 40 FEGB CC[N+](CC)=C1S[C@H]2CS(=O)(=O)[C@H](Br)[C@]2(C)S1 4954843 FRMKYBPDTMRMMI-OYNCUSHFSA-N 359.356 2.151 50 40 FEGB O=C(CCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)NCc1ccccc1 3167876 DSRJHQVXFOGGOV-DEDYPNTBSA-N 354.366 2.142 50 40 FEGB O=C(NNC(=O)c1cc2c(s1)CCC2)c1csc(-c2ncccn2)n1 47303929 YPZLDHMOVPDGBS-UHFFFAOYSA-N 371.447 2.225 50 40 FEGB CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2c[nH]c3ccccc23)s1 1958322 VWSOMRPHUWPMNA-VXLYETTFSA-N 370.438 2.451 50 40 FEGB C/C(=N/NC(=O)CCn1nnc2ccccc21)c1cccc([N+](=O)[O-])c1 1469436 NTYZHLUWJVODLV-PDGQHHTCSA-N 352.354 2.270 50 40 FEGB NC(=O)N/N=C/c1c[nH]c2ccc3c(c12)S(=O)(=O)c1ccccc1O3 4785858 ZQUGCSMXUVWFKU-UFWORHAWSA-N 356.363 2.109 50 40 FEGB CCCn1c(O)c(C(=O)N/N=C/c2cccnc2)c(=O)c2ccccc21 5894453 QYLDCUBDGMTONF-CIAFOILYSA-N 350.378 2.276 50 40 FEGB Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3cn(C)nc3C)c2)n1 6189281 JGURKCPPQQLXJK-KEBDBYFISA-N 350.426 2.354 50 40 FEGB Cc1cc(C(=O)NNC(=O)Cn2ccc3ccccc32)ccc1[N+](=O)[O-] 8986374 WBPRVUDUEYXUEA-UHFFFAOYSA-N 352.350 2.319 50 40 FEGB CCOc1ccc(CC(=O)N/N=C/c2cccc(OCC(=O)OC)c2)cc1 10475958 SMWZCUBKWFFPDX-FYJGNVAPSA-N 370.405 2.330 50 40 FEGB CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1O 169879844 DQESYBCFFPSWRY-RQZCQDPDSA-N 374.309 2.371 50 40 FEGB C/C(=N\NC(=O)CNC(=O)c1ccc(Br)cc1)c1ccco1 4807154 LRMMXZNMVFDCEV-VCHYOVAHSA-N 364.199 2.312 50 40 FEGB COc1cccc(N(CC(=O)NN=C2CCCCCC2)S(C)(=O)=O)c1 20210018 LIBZQPQZKNVMBY-UHFFFAOYSA-N 367.471 2.288 50 40 FEGB C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1cccs1 20211844 QRBULSXUYXBBDW-GZTJUZNOSA-N 369.443 2.194 50 40 FEGB COC(=O)[C@H](Br)[C@H](OC(C)=O)c1ccc(OC)c(OC)c1 1673153 QXFPBDSWSBVBSX-CHWSQXEVSA-N 361.188 2.245 50 40 FEGB O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1cc(-c2ccccc2)n[nH]1 36092616 OFGPRDJKFTWVPM-VCHYOVAHSA-N 351.322 2.454 50 40 FEGB COc1ccc2nc(C)cc(SC[C@H](NC(=O)CCl)C(=O)O)c2c1 6719348 GZZCEXUGDGGIBH-ZDUSSCGKSA-N 368.842 2.452 50 40 FEGB Cc1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 408614493 CVVWZICBCKWLPL-AWEZNQCLSA-N 371.824 2.463 50 40 FEGB Cc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1 20060325 IGFDFGDQBUTVGI-XDHOZWIPSA-N 359.451 2.220 50 40 FEGB Cc1nn(C)c(NC(=O)CBr)c1C(=O)c1ccccc1F 77284898 NVKLBXLZFOXMBH-UHFFFAOYSA-N 354.179 2.432 50 40 FEGB in-vitro O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(Cl)cc1 7881832 LOTIWZUDRBHAPM-ZDUSSCGKSA-N 357.797 2.154 50 40 FEGB CC(C)C(=O)NNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8718112 PSQKARGMZOERAM-UHFFFAOYSA-N 362.308 2.219 50 40 FEGB N#C/C(=C\c1cccc(OCC(=O)O)c1)C(=O)Nc1ccccc1C(=O)O 408922807 GQOIECXRGLKRAC-MDWZMJQESA-N 366.329 2.394 50 40 FEGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc([N+](=O)[O-])s3)[C@H]2C1 33887631 HUFASBBJGJDBAN-SWLSCSKDSA-N 366.406 2.011 50 40 FEGB COc1ccc(/C=N\NC(=O)[C@H](C)n2cnc3ccccc3c2=O)cc1 31854610 UYDJUPWHHSMNJR-GMDDEGIZSA-N 350.378 2.116 50 40 FEGB COc1c([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc2c(c1OC)OCO2 85409581 ANTSPZFZUDUKLD-HNNXBMFYSA-N 368.345 2.356 50 40 FEGB O=C(N/N=C/c1ccc(Br)o1)c1cccc([N+](=O)[O-])c1O 58900401 OPPDYBCCVONHQL-MKMNVTDBSA-N 354.116 2.420 50 40 FEGB Cc1ccc(N2C(=O)C[C@H](NNC(=O)c3cccc(Cl)c3)C2=O)cc1 2430393 CAPIUBCPHIZUBJ-HNNXBMFYSA-N 357.797 2.215 50 40 FEGB COC(=O)c1c(NC(=O)C(=O)NNc2ccccc2)sc2c1CCCC2 6759515 ZLRKTTXRIGFVRA-UHFFFAOYSA-N 373.434 2.495 50 40 FEGB Cc1cccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(C)C)c1 4179770 BQCGBAIZZSYSFI-YBFXNURJSA-N 356.382 2.498 50 40 FEGB COc1ccc(C(=O)N/N=c2/sc3ccccc3n2C)cc1[N+](=O)[O-] 102805606 TUIAAPHWLIVTGJ-FBMGVBCBSA-N 358.379 2.402 50 40 FEGB CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 58885008 JJANIAYXUZQNMR-WOJGMQOQSA-N 356.338 2.082 50 40 FEGB CCCCCn1nc(C(=O)NNC(=O)c2ccco2)c2ccccc2c1=O 12601689 PVWCUEUXGHRWEW-UHFFFAOYSA-N 368.393 2.255 50 40 FEGB CC(C)n1nc(C(=O)NNC(=O)c2ccsc2)c2ccccc2c1=O 12804338 GBXFAROTFKQSPY-UHFFFAOYSA-N 356.407 2.114 50 40 FEGB Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(N)=O)c1 4205613 IWEJIIWJMRVMDH-GXDHUFHOSA-N 360.373 2.496 50 40 FEGB C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)c1ccc(NC(=O)CC#N)cc1 8490117 PTYKCMMSULPQRQ-SWLSCSKDSA-N 373.482 2.226 50 40 FEGB O=C(NN[C@@H]1c2ccccc2C(=O)N1C[C@H]1CCCO1)c1ccccc1 199418226 POYLWCZYLFNVHD-QAPCUYQASA-N 351.406 2.255 50 40 FEGB CN(C)c1ccc(C(=O)C(=O)N2CCN(CCCl)CC2)c2ccccc12 19909206 BLWROQFQQQCYBU-UHFFFAOYSA-N 373.884 2.472 50 40 FEGB CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1[C@@H]1CC=CCC1 21601438 PVEFARARDFFACW-WBMJQRKESA-N 361.467 2.353 50 40 FEGB O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N/N=C/c1ccccc1[N+](=O)[O-] 101642516 CFNUHSAETMAFKR-CXUHLZMHSA-N 373.281 2.104 50 40 FEGB COc1cc(CCC(=O)NNC(=O)CNc2ccc(C)cc2)cc(OC)c1 12641410 KLDATRFAIHKQEN-UHFFFAOYSA-N 371.437 2.204 50 40 FEGB CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)CCl)C2=O)cc1 60276699 RCHKUFUWOYBEKM-UKTHLTGXSA-N 368.842 2.477 50 40 FEGB COc1ccc(N2N=C(C)/C(=C(\C)NNC(=O)c3cccnc3)C2=O)cc1 13681463 IUSWVGVWZFVIFY-ATVHPVEESA-N 365.393 2.021 50 40 FEGB O=C(N/N=C/c1ccccc1O)C(=O)Nc1ccccc1Br 5771285 UWGGKDVKCQXTKL-RQZCQDPDSA-N 362.183 2.244 50 40 FEGB CCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2)cc1 672423 BJQHADQQSFUGSS-UHFFFAOYSA-N 355.394 2.184 50 40 FEGB O=C(N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1 28617743 JNWSMYGFDIVJEQ-UYRXBGFRSA-N 354.366 2.195 50 40 FEGB CCN(CC)C(=O)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4658872 RMGUHCXFFCTZBK-WQRHYEAKSA-N 358.354 2.173 50 40 FEGB COc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCC(=O)OC(C)C 408605869 ZAKFLPQSBHIINQ-NHDPSOOVSA-N 371.393 2.185 50 40 FEGB CCc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccc(F)c3)CC2=O)cc1 408616653 ZRMHECCJHKPPCU-OAHLLOKOSA-N 369.396 2.202 50 40 FEGB CCCC(=O)Nc1ccc(C(=O)NNC(=O)Cc2ccc(OC)cc2)cc1 672500 DCKAUEQHEFEIAG-UHFFFAOYSA-N 369.421 2.438 50 40 FEGB COc1cccc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1O 409155510 QEWBGZBIMZDHHE-SYZMQFJCSA-N 367.405 2.212 50 40 FEGB O=C(CSCC(=O)N/N=C/c1ccccc1)N/N=C/c1ccccc1 1747692 KXBZBEIHDZTADD-AYKLPDECSA-N 354.435 2.020 50 40 FEGB COc1ccc(C2(C(=O)NNC(=O)c3ccccc3F)CCOCC2)cc1 71825455 RLJWZSWTZBBJRY-UHFFFAOYSA-N 372.396 2.344 50 40 FEGB C=CCOc1c(I)cc(/C=N\NC(C)=O)cc1OC 409017293 YHVDZRCZDZLXEX-NVNXTCNLSA-N 374.178 2.335 50 40 FEGB COc1ccc(OC)c(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c1 3089830 DHFWYVZSZXUJOA-VCHYOVAHSA-N 359.338 2.141 50 40 FEGB CCOc1c(Br)cc(C(=O)NNC(=O)[C@@H]2C[C@H]2C)cc1OC 14190426 GYLKIFKXOYWTGB-PSASIEDQSA-N 371.231 2.273 50 40 FEGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)NC(C)C)cc2)cc1 58883125 UHALYAFZSVPHEK-MTJSOVHGSA-N 369.421 2.363 50 40 FEGB O=C(CCc1ncc(-c2c(F)cccc2F)o1)NNC(=O)c1ccccn1 14203873 FVODNACYYDOKQO-UHFFFAOYSA-N 372.331 2.409 50 40 FEGB C[C@H](C(=O)N/N=C/c1ccc(F)cc1)N(c1ccccc1)S(C)(=O)=O 408906472 BTLCKHKMAAQIJC-KZKLBEMASA-N 363.414 2.131 50 40 FEGB CO[C@@H](C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N(C)C)c1ccccc1 409002449 UVTWJSRUPWGVOS-MIQLPHMESA-N 356.382 2.499 50 40 FEGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCC1)c1cccc(F)c1 409116420 NTCCNKPABKLPIL-UHFFFAOYSA-N 355.435 2.418 50 40 FEGB C/C(=N/NC(=O)CNc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 408590646 QCIGYEFGOPUHTJ-MTJSOVHGSA-N 369.377 2.139 50 40 FEGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)CNc2ccc(C)cc2)c1O 36145062 CGRSDTNGKGWMIV-DJKKODMXSA-N 358.354 2.180 50 40 FEGB Cc1ccccc1C(=O)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1 16839257 UGUVAAJPSNIEDL-UHFFFAOYSA-N 361.401 2.280 50 40 FEGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1c(OC)cccc1OC 6836598 WSWUEKSQQAYJAM-RGVLZGJSSA-N 371.393 2.110 50 40 FEGB Cc1ccccc1C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 52411100 XTQHWHDMELWAHM-ZDUSSCGKSA-N 371.824 2.463 50 40 FEGB COc1ccc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)cc1OC 5720759 SKGDUGGUKDDPKJ-UDWIEESQSA-N 358.394 2.414 50 40 FEGB O=C1[C@@H](Cl)[C@H](c2cccc([N+](=O)[O-])c2)N1n1cnc2ccccc2c1=O 5838565 GLIPMQANQSVZFV-GJZGRUSLSA-N 370.752 2.132 50 40 FEGB C=CCSC1=C(C#N)[C@H](c2ccccc2[N+](=O)[O-])[C@H](C(=O)OC)C(=O)N1 9110853 OBIQFQOKWJKEIW-KBPBESRZSA-N 373.390 2.252 50 40 FEGB COc1ccc(CC(=O)NNC(=S)NC2CCCCC2)cc1OC 2582178 HALJBKCOJCRZJB-UHFFFAOYSA-N 351.472 2.074 50 40 FEGB C[C@@]1(C(=O)N/N=C/c2ccncc2)CC1(Br)Br 2752986 CVRIDSAAOAVECV-JFEKIERCSA-N 361.037 2.428 50 40 FEGB CNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@@H]3c1ccccc1 8682473 WAMYOVYCWRWCNU-JTQLQIEISA-N 351.391 2.244 50 40 FEGB O=C(C[C@](O)(c1ccccc1)C(F)(F)F)NNC(=O)c1ccccc1 14241794 QONFRXHBRIBQFQ-INIZCTEOSA-N 352.312 2.288 50 40 FEGB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)NNC(=O)c1ccccc1 45127699 WBDAHQWLIJEJBM-UHFFFAOYSA-N 363.421 2.418 50 40 FEGB N#C/C(=C/c1ccc(N2CCOCC2)o1)C(=O)Nc1cccc(C(=O)O)c1 107795661 MHMWRPNMDIZCIZ-KAMYIIQDSA-N 367.361 2.360 50 40 FEGB Cc1cc(C)nc(NNC(=O)c2ccc(CNC(=O)NC(C)C)cc2)n1 22235088 XGVLTTVZMWKFHQ-UHFFFAOYSA-N 356.430 2.058 50 40 FEGB CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccncc2)cc1 6596378 CDUOSPUYSCKTDQ-GFCCVEGCSA-N 372.450 2.208 50 40 FEGB Cn1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c(-c2ccncc2)n1 48355544 UOYUDDHMTKLKTF-UHFFFAOYSA-N 374.404 2.049 50 40 FEGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 1507053 PFBCULUOPSFUSN-VCHYOVAHSA-N 359.338 2.385 50 40 FEGB COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1 4838878 WSIIRBQCPVISIB-UHFFFAOYSA-N 361.785 2.057 50 40 FEGB CC1=C(C(=O)OC(C)C)[C@]2(C(=O)Nc3ccc(Cl)cc32)C(C#N)=C(N)O1 850928 CIDMINHNQMIHTI-GOSISDBHSA-N 373.796 2.480 50 40 FEGB Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2nonc2N)o1 3030490 JAVCTDZUTOKGRG-CNHKJKLMSA-N 370.325 2.201 50 40 FEGB COc1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 5527603 YGYRHOCZWUWJML-RGVLZGJSSA-N 374.393 2.250 50 40 FEGB C[C@H](Oc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)O 59249707 ZDZBKOJSIJKKSV-HPAYWCODSA-N 357.322 2.211 50 40 FEGB N#CC(C(=O)COC(=O)c1ccc2c(c1)OCO2)=C1Nc2ccccc2N1 2658704 DECXKCTWKGKICI-UHFFFAOYSA-N 363.329 2.414 50 40 FEGB CCCOc1ccc(C(=O)NNC(=O)c2n[nH]c3ccccc23)cc1OC 8294770 TVWRKCOXDKVPLT-UHFFFAOYSA-N 368.393 2.435 50 40 FEGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 409225051 LUXOADHYEJZXAT-IUXPMGMMSA-N 362.273 2.041 50 40 FEGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CC#N)cc1 408779384 DLXTUYJNIVJFSU-CIAFOILYSA-N 366.377 2.076 50 40 FEGB N#C/C(=C\N1CCN(Cc2ccccc2)CC1)C(=O)NCc1ccco1 20572177 NAHIARLDGMSCKM-FBMGVBCBSA-N 350.422 2.121 50 40 FEGB C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)C[C@H](OC(=O)CC(C)C)[C@@H]12 100069851 XZPCFZLGAZNCOI-ROZCQIGTSA-N 362.422 2.270 50 40 FEGB biogenic,in-vitro CCOC(=O)/C(C#N)=C/c1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1 13135305 RYGVNEZHUJOGHF-QQFZQELXSA-N 360.410 2.411 50 40 FEGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1 4499517 OCAFMOLLNFRNBC-VXLYETTFSA-N 361.785 2.446 50 40 FEGB O=C(NNC(=S)NCCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 408585617 HBMCAVWLIZBCDO-UHFFFAOYSA-N 358.423 2.337 50 40 FEGB COc1cc(/C=N/NC(=O)c2nc[nH]n2)ccc1OCc1ccccc1 6170154 ZJBMCXXRHYZYTE-KEBDBYFISA-N 351.366 2.156 50 40 FEGB CN1C(=O)CC[C@H](C(=O)NNC(=O)c2ccccc2)[C@H]1c1ccccc1 72280983 QAYGBLBEBXHNFT-FUHWJXTLSA-N 351.406 2.057 50 40 FEGB Cc1csc([C@](O)(CC(=O)NNC(=O)c2ccccc2)C(F)(F)F)n1 58413339 WZNUSBLSDIGWIY-CQSZACIVSA-N 373.356 2.053 50 40 FEGB CCn1c(C)cc2c(c1=O)[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 2325907 LWTXEHPKYRGLFQ-INIZCTEOSA-N 351.362 2.124 50 40 FEGB O=C1COc2ccc(C(=O)NNc3c(F)c(F)c(F)c(F)c3F)cc2N1 14180537 URECFIBCAUSDGA-UHFFFAOYSA-N 373.237 2.470 50 40 FEGB COc1ccc(/C=N/NC(=O)c2cc[nH]n2)cc1COc1ccccn1 4785409 LWODDGDDHNDUKA-SRZZPIQSSA-N 351.366 2.156 50 40 FEGB Cn1c(SCC(=O)N/N=C/c2ccc(O)c(O)c2)nc2ccccc21 1474995 YTUONBJKSAPACR-GIJQJNRQSA-N 356.407 2.227 50 40 FEGB CCCCOc1ccc(/C=C(\C#N)C(=O)NCCN2CCOCC2)cc1 24303113 IISRTPNCKBNCSM-OBGWFSINSA-N 357.454 2.221 50 40 FEGB COc1ccc(C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1OC 11582339 UGZUJNKEFMXSRO-UHFFFAOYSA-N 359.338 2.141 50 40 FEGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)CC)cc1OC 408819521 XOOKECQJLNDUOB-NCPSJORJSA-N 360.410 2.459 50 40 FEGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccccc1OCC#N 409254382 DNOPDBUDKLQNAR-YBFXNURJSA-N 354.322 2.270 50 40 FEGB CCc1cccc(N2C[C@H](C(=O)NNC(=O)c3ccc(C)cc3)CC2=O)c1 12923340 OOSQICFSFWBBRJ-QGZVFWFLSA-N 365.433 2.372 50 40 FEGB O=C1[C@H](Cl)[C@@H](c2cccc([N+](=O)[O-])c2)N1n1cnc2ccccc2c1=O 1632093 GLIPMQANQSVZFV-HUUCEWRRSA-N 370.752 2.132 50 40 FEGB CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccncc2)cc1 6563489 WQXNZOBPAILQNY-UHFFFAOYSA-N 356.451 2.328 50 40 FEGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)OC(C)(C)C)c1[N+](=O)[O-] 23410890 QJBXKSMODBZECR-LZYBPNLTSA-N 353.331 2.387 50 40 FEGB CC[C@@H](C)NC(=O)C(=O)N/N=C(\C)CC(=O)NC1CCCCCCC1 4898788 YWVATSMSLLXFMZ-SBGWBMIRSA-N 352.479 2.012 50 40 FEGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(N)=O 409219836 VJVMBHDJSAHEBP-OQLLNIDSSA-N 365.389 2.413 50 40 FEGB O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1F 409012923 LPRHQNOLUGDGQD-UDWIEESQSA-N 372.356 2.334 50 40 FEGB Cc1ccc(OCC(=O)N/N=C/c2ccccc2OCC(=O)O)cc1C 1103485 KMCJSYAFMHMUSV-KEBDBYFISA-N 356.378 2.296 50 40 FEGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)ccc1O 17015556 WRGKREBLBFNTGT-INIZCTEOSA-N 361.357 2.460 50 40 FEGB O=C(NCc1ccccn1)C(=O)N/N=C/c1ccc(Cl)cc1Cl 33957609 ZMQQWSNGDVRRMZ-DNTJNYDQSA-N 351.193 2.155 50 40 FEGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1 15146599 DFMIJTWXKWMSTM-CIAFOILYSA-N 371.462 2.492 50 40 FEGB CC1=C(C#N)C(=O)NC(=O)/C1=C\NC(=O)Nc1ccc(SC#N)cc1C 16282548 ATEGUCDDJFTASX-QPEQYQDCSA-N 367.390 2.070 50 40 FEGB C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)C(=O)NC1CCCCC1 5363163 CMEDIUZJSUXVNI-HYARGMPZSA-N 358.442 2.265 50 40 FEGB O=C(NNC(=O)c1ccccc1C(=O)O)c1cc2ccccc2cc1O 588133 BKKNRNLYIGKPAY-UHFFFAOYSA-N 350.330 2.318 50 40 FEGB O=C(CSc1nc2ccccc2[nH]1)N/N=C1\C(=O)Nc2ccccc21 1088284 PRVAOIJJGFAGAA-UHFFFAOYSA-N 351.391 2.128 50 40 FEGB COc1cc(OC)cc(C(=O)NNC(=O)c2c[nH]nc2-c2ccccc2)c1 12506938 SEPBVOUHFLGZRI-UHFFFAOYSA-N 366.377 2.169 50 40 FEGB COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2)cc1 2133054 RMQVNBGPACWTMA-UHFFFAOYSA-N 363.826 2.298 50 40 FEGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccccc2F)cc1 59434125 CQKBNOJAPPKVFJ-RGVLZGJSSA-N 357.341 2.091 50 40 FEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1cccs1 52411119 HBEBMRIIAYORIM-JTQLQIEISA-N 363.826 2.216 50 40 FEGB COC(=O)c1ccc(OCC(=O)NNC(=S)Nc2ccc(C)cc2)cc1 2582314 DGDDIBSAOXAFDJ-UHFFFAOYSA-N 373.434 2.178 50 40 FEGB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1ccc2nccnc2c1 5071931 YHMBRYXEPXLPBK-BFTVFPACSA-N 369.425 2.479 50 40 FEGB CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 4651725 GAYMGQARULLISQ-CLWVCHIJSA-N 358.438 2.492 50 40 FEGB CC(C)CNC(=O)CC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 58914814 UIKHEJSRBCLJMI-RGVLZGJSSA-N 372.381 2.467 50 40 FEGB O=C(N/N=C/c1ccco1)c1ccc(I)c(O)c1 4743368 BWGWSLIEYCYXOX-VGOFMYFVSA-N 356.119 2.354 50 40 FEGB COc1cccc(CC(=O)N/N=C\c2ccc(O[C@H](C)C(=O)O)cc2)c1 408859784 ZOFSGTBBGSRWJB-UAAGNOOKSA-N 356.378 2.240 50 40 FEGB CCS(=O)(=O)[C@@H](I)[C@H](O)c1ccc(C)cc1 96519265 UPWVKLMVQBXKPJ-GHMZBOCLSA-N 354.209 2.224 50 40 FEGB CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)[C@H]1C[C@@H]1c1ccccc1 5005240 ZCKAJUVJSSKYJL-NNKNOWGASA-N 363.417 2.115 50 40 FEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccco1)c1cccc2ccccc12 19955241 CXHXJGSWNCDMLH-XDHOZWIPSA-N 371.418 2.349 50 40 FEGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1C 24295724 ZZABZJZMLDENAO-GFCCVEGCSA-N 361.373 2.202 50 40 FEGB CC(=O)O[C@H](C(Cl)Cl)[C@H]1O[C@H](C(Cl)Cl)[C@@H](OC(C)=O)O1 104210511 LUOZBBXRCMBWDB-ZHYWTAKUSA-N 370.012 2.156 50 40 FEGB CCCCC(=O)NNc1nc2sc3c(c2c(=O)n1C)CC(C)(C)OC3 2295451 IRWZPNMJGBOUDV-UHFFFAOYSA-N 364.471 2.480 50 40 FEGB C=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3[nH]nc(CCC)c32)c2ccccc21 6498924 PXLFGZQCCCOXLP-HXUWFJFHSA-N 361.405 2.267 50 40 FEGB CCOC(=O)c1ccc(NC(=S)NNC(=O)c2ccccc2O)cc1 6517868 XFVWCTYFKVAVOR-UHFFFAOYSA-N 359.407 2.200 50 40 FEGB N#C/C(=C/c1cc(Br)c(I)o1)C(N)=O 408863423 OEMTVHNDVSCEPY-RJRFIUFISA-N 366.940 2.039 50 40 FEGB CC1=C(C#N)C(=O)NC(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 101566503 LWOZBLMRZAMJES-KPKJPENVSA-N 365.301 2.440 50 40 FEGB O=C(COC(=O)c1nc(Cl)ccc1Cl)NNC(=O)c1cccs1 7990256 XZFLQWNLZHYLJS-UHFFFAOYSA-N 374.205 2.068 50 40 FEGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100093020 NMCZUKFCIXVHSZ-OVCLIPMQSA-N 359.254 2.175 50 40 FEGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccoc3)[C@H]2C1 4453500 GENDJRCKLXMDKL-HOTGVXAUSA-N 363.377 2.161 50 40 FEGB CCOc1cc(C(=O)NNC(=O)c2cccnc2)cc(OCC)c1OCC 12785233 PPWYLOPFVXEZPJ-UHFFFAOYSA-N 373.409 2.353 50 40 FEGB COc1cc(SC)ccc1C(=O)NNC(=O)COc1cccc(F)c1 3364827 TUGCRUBXLTWLFC-UHFFFAOYSA-N 364.398 2.396 50 40 FEGB COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)CSc1nncn1C 5100430 ZGTPLKAZFBYDMY-FZSIALSZSA-N 374.253 2.373 50 40 FEGB CCOc1ccc(/C=C(\C#N)C(=O)NC)cc1I 4673303 OYGONUNXCAGEOS-UXBLZVDNSA-N 356.163 2.343 50 40 FEGB C[C@@H](Oc1ccccc1F)C(=O)N/N=C/c1cnn(-c2ccccc2)n1 7785931 GANUJIRUXBRVGP-AYPRBGQRSA-N 353.357 2.324 50 40 FEGB COc1ccc([C@@H]2C(C#N)=C(S)N[C@@](C)(O)[C@@H]2[n+]2ccccc2)cc1 35898218 KXEKURHMFVUHNN-LMMKCTJWSA-O 354.455 2.284 50 40 FEGB O=C(CCl)N(c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 40177636 LZJIMVICRANCRB-LLVKDONJSA-N 366.664 2.208 50 40 FEGB COc1cccc(/C=N/NC(=O)COc2cccc3cccnc23)c1O 3200649 RELQHVHMZJVWMT-SRZZPIQSSA-N 351.362 2.478 50 40 FEGB COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1ccccc1Cl 5375440 CUDFPHKTTWGOJQ-INIZCTEOSA-N 362.769 2.461 50 40 FEGB Cc1ccc(OCC(=O)NNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 10401541 YJLZTUXHUQIBQF-JXMROGBWSA-N 355.350 2.143 50 40 FEGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1O 2730213 PTERCZMZSGJYAY-UBKPWBPPSA-N 363.713 2.446 50 40 FEGB CCOC(=O)C[C@H](Br)[C@H](Br)CC(=O)OCC 1654090 CLNFOLRUQAFJLZ-OCAPTIKFSA-N 360.042 2.420 50 40 FEGB COc1cc(/C=N/NC(=O)c2nc3ccccn3c2C)cc(OC)c1O 37868655 HSXCCQYISXSYQB-VXLYETTFSA-N 354.366 2.129 50 40 FEGB O=C(NN(SN1CCOCC1)C(=O)c1ccccc1)c1ccccc1 28294778 FPICLSFVUHXWQH-UHFFFAOYSA-N 357.435 2.369 50 40 FEGB COc1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)[nH]n2)cc1OC 9123529 HPTDXPRCUJAXNY-RGVLZGJSSA-N 351.366 2.253 50 40 FEGB CN1C(=O)[C@]2(c3ccccc31)[C@@H]1CCCC=C1C(C#N)=C(N)C2(C#N)C#N 19816686 ZZDLIHXGIYUXEB-QVKFZJNVSA-N 355.401 2.411 50 40 FEGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccco1)S(C)(=O)=O 408781020 PZIPCXOXWHQSCO-RQZCQDPDSA-N 369.830 2.158 50 40 FEGB CN(C)C(=O)[C@H](NNC(=O)c1cn(C)c2ccccc12)c1ccccc1 9112620 ZXSNZWXULADVAE-GOSISDBHSA-N 350.422 2.242 50 40 FEGB COc1c(Br)cc(/C=N/NC(N)=O)cc1Br 71256477 DVEYJWFYLSMZNO-YIXHJXPBSA-N 350.998 2.222 50 40 FEGB COC(=O)/C(C#N)=C/c1c(N2CCCCCC2)nc2c(C)cccn2c1=O 2217575 ALWLRSIGXVGTJV-NTCAYCPXSA-N 366.421 2.463 50 40 FEGB CC(=O)Nc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1cccnc1 100523039 LMFXPNIBHBREKA-WSDLNYQXSA-N 353.382 2.175 50 40 FEGB COc1ccc(OCC(=O)NNC(=O)COc2c(C)cc(C)cc2C)cc1 3361560 NWLVNYXORYWVMH-UHFFFAOYSA-N 372.421 2.226 50 40 FEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc1 7869663 IFAVBVJJVDIZRK-DEDYPNTBSA-N 353.378 2.349 50 40 FEGB C[C@@H](Oc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)O 59249708 ZDZBKOJSIJKKSV-VDCVXVNISA-N 357.322 2.211 50 40 FEGB Cc1ccc(C)c(OCC(=O)N/N=C\c2cc3c(cc2[N+](=O)[O-])OCO3)c1 4547361 CECIZHHUIGIERD-UWVJOHFNSA-N 371.349 2.469 50 40 FEGB O=C(NN/C=C1\C(=O)N(c2ccccc2F)C(=O)N=C1O)c1ccccc1 38186965 MKPGGRMKBWUCMA-BENRWUELSA-N 368.324 2.067 50 40 FEGB CCN1CCN(C(=O)[C@@]23CC[C@](C)(C(=O)[C@H]2Br)C3(C)C)CC1 217941153 DHRDDRIHTXQAJH-CSMYWGQOSA-N 371.319 2.309 50 40 FEGB COc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1OC 5047391 LBYFZHJHFLNHND-VRCTWVPOSA-N 367.405 2.207 50 40 FEGB Cc1cccc(/C=N\NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1 35085831 BQWOQNGLNBUXJB-PDGQHHTCSA-N 351.472 2.039 50 40 FEGB CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@H]2c2ccccc2O)cc1 1633100 KOORPEXWDFHDOD-HZPDHXFCSA-N 373.796 2.186 50 40 FEGB CC[C@H](NNC(=O)Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 8938352 NXEQUTUXNQVVES-SFHVURJKSA-N 364.449 2.426 50 40 FEGB C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1c(O)cc(C)oc1=O 4156353 XPWPKVBCPBQELZ-VCHYOVAHSA-N 350.758 2.226 50 40 FEGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc2c(c1)OCO2 409355449 CBJUJSZGOGDCHD-VXLYETTFSA-N 367.317 2.099 50 40 FEGB COc1ccccc1N(CC(=O)NN=C1CCCCCC1)S(C)(=O)=O 408927025 XLMUZMHRRFLGNE-UHFFFAOYSA-N 367.471 2.288 50 40 FEGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cccs1 408586007 AGKCATDSVNKYPD-GZTJUZNOSA-N 360.395 2.257 50 40 FEGB Cc1cc(O)cc(O)c1/C=N/NC(=O)c1cncc(Br)c1 3153363 RNXLBXOSOXTCBN-REZTVBANSA-N 350.172 2.328 50 40 FEGB Cc1ccc(O[C@@H](C)C(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 100283736 PNLHMILUPPZTAZ-NSHDSACASA-N 368.349 2.143 50 40 FEGB Cc1nn(C)cc1/C=N/NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1 654949 NVUFNIRYUNOCPB-FBCYGCLPSA-N 356.817 2.391 50 40 FEGB CC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc(N(C)C)cc1 8733443 XGKJWABSZQVFOF-CYBMUJFWSA-N 356.264 2.371 50 40 FEGB COc1cc(Cl)ccc1C(=O)NNC(=O)c1cnn(-c2ccccc2)n1 9500253 XLYHZWGPDPFVOY-UHFFFAOYSA-N 371.784 2.004 50 40 FEGB COc1cccc(CC(=O)N/N=C\c2ccc(O[C@@H](C)C(=O)O)cc2)c1 408859779 ZOFSGTBBGSRWJB-RQZLXBNYSA-N 356.378 2.240 50 40 FEGB CC1=NN(c2ccccc2)C(=O)/C1=C\NNC(=O)c1ccc([N+](=O)[O-])cc1 16160688 FFFNSRXIPOVVBG-WJDWOHSUSA-N 365.349 2.136 50 40 FEGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 1868122 NMFMGPZVHQFOCH-GFCCVEGCSA-N 361.379 2.230 50 40 FEGB C/C(=N\NC(=O)[C@@H]1C(=O)NC[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])cs1 4696834 PKYYRKFTMSHZGK-FLIULEQJSA-N 372.406 2.026 50 40 FEGB O=C(COc1ccc2ccccc2c1)NCC(=O)N/N=C/c1ccco1 2121853 IYTJSKBGOMNDOK-SRZZPIQSSA-N 351.362 2.078 50 40 FEGB CC(=O)NCc1ccc(C(=O)NNC(=O)c2oc3ccccc3c2C)cc1 9365558 SFCSZCVNWAJXTR-UHFFFAOYSA-N 365.389 2.452 50 40 FEGB CN(/N=C/c1ccc2c(c1)n(C)c(=O)n2C)C(=O)OCc1ccccc1 409190821 WOFVLAVLZXCQRU-UDWIEESQSA-N 352.394 2.480 50 40 FEGB C#CCOc1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OC 6169957 OYPJDFKHRUMZKF-FYJGNVAPSA-N 368.389 2.488 50 40 FEGB Cc1occc1C(=O)N/N=C1/C(=O)N(C)c2ccc(Br)cc21 2737682 ZJCMLTOAILPABQ-GHRIWEEISA-N 362.183 2.461 50 40 FEGB COC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)[C@@H](C#N)C(=O)N1 859037 SUPKSHCRRGHWOL-QMTHXVAHSA-N 361.810 2.335 50 40 FEGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccoc3)[C@H]2C1 808885 GENDJRCKLXMDKL-JKSUJKDBSA-N 363.377 2.161 50 40 FEGB CCCN1C(=O)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 103688595 FDJGOMSGVVWGIJ-KNTRCKAVSA-N 352.350 2.486 50 40 FEGB Cc1cc(C)cc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)c1 101309463 PLGZHUYDZGYSFG-BLCHQYFCSA-N 372.899 2.144 50 40 FEGB COc1cc(C(=O)NNC(=O)c2cc(C)ccc2C)cc(OC)c1OC 3418021 UJRBBPNXEWPHAR-UHFFFAOYSA-N 358.394 2.404 50 40 FEGB O=C(CCC(=O)N/N=C/c1ccc(F)cc1)N/N=C/c1ccc(F)cc1 2673362 CVHIHSLULJDBAM-XHQRYOPUSA-N 358.348 2.345 50 40 FEGB O=C(NN/C=C1/C(=O)N(C2CCCCC2)C(=S)N=C1O)c1ccccc1 5870997 NSWHSMWSOLLMDJ-SDNWHVSQSA-N 372.450 2.221 50 40 FEGB CCS(=O)(=O)[C@H](I)C(=O)c1ccc(OC)cc1 96517977 VWWCBMHRSLCWTL-NSHDSACASA-N 368.192 2.074 50 40 FEGB COc1cc(/C=C/C(=O)NNC(N)=S)ccc1OCc1ccccc1C 62715181 UMWURXBEHJMGNM-CSKARUKUSA-N 371.462 2.460 50 40 FEGB COc1ccc(/C=N/NC(=O)[C@@H](C)n2nnc3ccccc32)cc1OC 687098 VWRKPUAXYXGVHK-ZGXHQARYSA-N 353.382 2.160 50 40 FEGB COc1ccc(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1OC 59461605 PZHLZJNAVORTMU-YBFXNURJSA-N 373.365 2.313 50 40 FEGB COc1cc(OC)c(/C=N\NC(=O)c2ccc3[nH]cnc3c2)c(OC)c1 28351953 WHJCMTWZGQTGCG-NKVSQWTQSA-N 354.366 2.353 50 40 FEGB C/C(=N\NC(=O)CCn1nnc2ccccc21)c1ccc([N+](=O)[O-])cc1 12689892 KOZOYKMOVNMJRP-LDADJPATSA-N 352.354 2.270 50 40 FEGB COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c1 28215684 QJVBZNIKWJIIAO-CIAFOILYSA-N 369.421 2.363 50 40 FEGB N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)NC[C@H]1CCCO1 1462478 RCSYYYXFQRUMBT-IGEMTJHASA-N 351.200 2.357 50 40 FEGB O=c1cc(CCl)[nH]c2c(S(=O)(=O)c3ccc(Cl)cc3)cnn12 102923931 BNNTTZJXGBRVFS-UHFFFAOYSA-N 358.206 2.248 50 40 FEGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 5442474 SOVISBCURZICPR-QWHCGFSZSA-N 368.817 2.066 50 40 FEGB Cc1cc2ccccc2n1CC(=O)NNC(=O)c1ccc(N(C)C)cc1 4711956 AJRGKWAUMIPJEN-UHFFFAOYSA-N 350.422 2.477 50 40 FEGB CC/C(CN1C(=O)c2ccccc2C1=O)=N\NC(=O)c1ccccc1O 36615471 MKAQUESIFHSFDB-UDWIEESQSA-N 351.362 2.184 50 40 FEGB Cc1ccc(N2C[C@H](C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)CC2=O)cc1 826023 ZCMOGMGGCGXSIJ-PZUDMAOCSA-N 366.377 2.406 50 40 FEGB O=C(N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21)c1ccco1 20133699 XCAXHSATPYFRJO-JZJYNLBNSA-N 352.394 2.204 50 40 FEGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OCC)c1OCC(=O)OC 59334900 RFZYFHDORMBLAP-YBEGLDIGSA-N 372.421 2.361 50 40 FEGB O=C(NNC(=S)NC(=O)c1ccc(Cl)c(Cl)c1)c1ccncc1 32119112 YFKGNGCZHIFCBK-UHFFFAOYSA-N 369.233 2.338 50 40 FEGB C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)cc2C1 102633201 MVPXBNGAEOTHBS-OWWRBYITSA-N 374.462 2.157 50 40 FEGB Cc1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3)CC2=O)c1C 17170491 DIGZQUASLJYWDI-INIZCTEOSA-N 351.406 2.118 50 40 FEGB CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](Cc3ccccc3)[C@@H]2C1 804172 OOFGMJGFKOCVRC-RTBURBONSA-N 357.417 2.034 50 40 FEGB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1ccc(C)c(Cl)c1 28994274 SRZVASKUADEKST-CQSZACIVSA-N 359.879 2.296 50 40 FEGB COc1ccc(/C=N\NC(N)=O)cc1COc1ccc([N+](=O)[O-])c(C)c1 32465120 WYRBZPZMRZETCR-OCKHKDLRSA-N 358.354 2.493 50 40 FEGB CCOc1ccc(C(=O)NNC(=O)c2cccc(C3OCCO3)c2)cc1 89991090 OLNUOYBBKVHMPH-UHFFFAOYSA-N 356.378 2.206 50 40 FEGB CC(C)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 16138672 PKAAPLFGEIVFAG-UHFFFAOYSA-N 359.451 2.390 50 40 FEGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc2c(c([N+](=O)[O-])c1)OCCO2 85408734 GHLMFHBVNZKXNY-MRXNPFEDSA-N 367.317 2.290 50 40 FEGB CCn1c(C)cc2c(c1=O)[C@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 2359833 JLORLWRYTLQRJF-OAHLLOKOSA-N 352.350 2.303 50 40 FEGB COc1cc(/C=N\NC(=O)COc2cc(C)cc(C)c2)cc([N+](=O)[O-])c1O 30895848 GMOKUECLYQEZRR-OCKHKDLRSA-N 373.365 2.455 50 40 FEGB Cc1cccc(-n2nc(C(=O)N/N=C\c3ccccc3)c(C)c(C#N)c2=O)c1 409058959 PVMMEKMGVQWRPP-QRVIBDJDSA-N 371.400 2.485 50 40 FEGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c(C)c1 38186202 HFNDDMBUPIHWOD-GIJQJNRQSA-N 356.338 2.006 50 40 FEGB NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)c1 225500778 IPVVZGQYKGUMBA-UHFFFAOYSA-N 360.222 2.398 50 40 FEGB COc1ccc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)cc1 3657093 CTGGBVWKAHLQRO-KKJJZKEWSA-N 351.406 2.161 50 40 FEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccn2)cc1OCC 3067326 QWQRIDGVKNHJNM-FYJGNVAPSA-N 368.393 2.134 50 40 FEGB CC1=CC(=C(C#N)C#N)C=C(C)N1CCc1ccc(S(N)(=O)=O)cc1 3218992 DTFRJEAPDSLAHE-UHFFFAOYSA-N 354.435 2.343 50 40 FEGB CC1(C)CC(=O)C2=C(C1)N(c1nc[nH]n1)C(N)=C(C#N)[C@@H]2c1cccnc1 5408223 GWXNPZWMWSIWSL-HNNXBMFYSA-N 361.409 2.141 50 40 FEGB COc1ccc(/C=C/C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 8122796 YIHHFOJFYAGLTM-QPJJXVBHSA-N 364.199 2.260 50 40 FEGB Cc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c([N+](=O)[O-])c1 9972323 KXTKVPFGDMQBMY-CAOOACKPSA-N 374.309 2.046 50 40 FEGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(C)=O)cc1OC 409015662 PFAIXRQXBQFSOD-RGVLZGJSSA-N 371.393 2.191 50 40 FEGB COc1ccc(OCC(=O)N/N=C\c2ccc(OCC#N)c(OC)c2)cc1 33416028 PYFFNTVBHFADBX-MTJSOVHGSA-N 369.377 2.135 50 40 FEGB CCS(=O)(=O)[C@@H](I)[C@@H](O)c1ccccc1F 96519275 GCYQTOAWXMUJSS-VHSXEESVSA-N 358.172 2.055 50 40 FEGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCCC2=C(C#N)C#N)c1 2661430 YPBUJCLOCSCSJQ-UHFFFAOYSA-N 372.450 2.254 50 40 FEGB COc1ccnc(NNC(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)n1 40153981 UAVSDIZENMXWIY-JTQLQIEISA-N 361.427 2.068 50 40 FEGB COc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 6628022 AZHIBFIBTQWBRO-RKCSUWQLSA-N 352.394 2.287 50 40 FEGB C/C(=N\NC(=O)CN1CCN(Cc2ccccc2)CC1)c1cccs1 20191292 MSUPVQCVVROXQE-CAPFRKAQSA-N 356.495 2.406 50 40 FEGB CN(Cc1ccccc1N1CCOCC1)C(=O)NNC(=O)c1ccccc1 40068950 UDXYSZZOAOMCPR-UHFFFAOYSA-N 368.437 2.010 50 40 FEGB O=C(NNc1ccccc1)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 408921662 BYEZOLSOIZLBNU-UHFFFAOYSA-N 359.345 2.034 50 40 FEGB CCCOc1ccccc1C(=O)NNC(=S)NC(=O)Cc1ccccc1 12137347 LLJJZORQFOVLIW-UHFFFAOYSA-N 371.462 2.354 50 40 FEGB N#C/C(=C/c1ccccc1OCCOc1ccc([N+](=O)[O-])cc1)C(N)=O 2966862 XQWAVWVBWXRSDK-KAMYIIQDSA-N 353.334 2.445 50 40 FEGB NNC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 3259180 LZKXQYNXYANDOA-UHFFFAOYSA-N 364.199 2.070 50 40 FEGB COc1ccc(CCNC(=O)CC(=O)NN=C2CCCCC2)cc1OC 107658747 YCAYSCRGMKDWSH-UHFFFAOYSA-N 361.442 2.189 50 40 FEGB COc1cc(C(=O)NNC(=O)/C=C/c2cccc(F)c2)cc(OC)c1OC 3327869 RTQXIINUPRLALH-BQYQJAHWSA-N 374.368 2.326 50 40 FEGB Cc1ccc(C(=O)NNC(=O)CSc2nncn2-c2ccccc2)cc1 9220934 OEINNWSCZUNYSV-UHFFFAOYSA-N 367.434 2.129 50 40 FEGB O=C(CCCC(=O)NC1CCCCC1)N/N=C/c1ccc2c(c1)OCO2 4699571 IXRKUPUSDYBDDJ-UDWIEESQSA-N 359.426 2.485 50 40 FEGB C[C@H](NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)c1ccccc1 408682708 GQIQWQFXPPMKOO-WAQGYFPPSA-N 364.239 2.435 50 40 FEGB CCS(=O)(=O)[C@@H](I)[C@H](O)c1ccc(F)cc1 96519269 JFBIXKUAHKJQOA-NXEZZACHSA-N 358.172 2.055 50 40 FEGB CCc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3)CC2=O)cc1 8290140 OSQZOIONQMWLIS-MRXNPFEDSA-N 351.406 2.063 50 40 FEGB COc1ccc(OC)c(NC(=O)C/C(C)=N/NC(=O)c2ccccc2N)c1 100927708 AUPBRATZZMCOPM-WSDLNYQXSA-N 370.409 2.421 50 40 FEGB C/C(CC(=O)Nc1ccccc1C#N)=N\NC(=O)C(=O)Nc1ccccc1 100089770 BSCBNLPDIXCUTD-YDZHTSKRSA-N 363.377 2.018 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c(OC)c1 59515414 ZTPPNCJVCDQUPI-VXLYETTFSA-N 361.785 2.446 50 40 FEGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)COc1ccc([N+](=O)[O-])cc1 216935089 OFLZTVKJSGVYDK-UHFFFAOYSA-N 368.349 2.181 50 40 FEGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 6312901 CKGMJFISFICMBN-WSDLNYQXSA-N 355.369 2.157 50 40 FEGB COc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)C2CC2)cc1 60783613 HRCHYSPOLYEXCV-UHFFFAOYSA-N 353.378 2.119 50 40 FEGB O=C(NNS(=O)(=O)c1ccc(Br)s1)C1CCCCC1 7380813 FTLODWXLDVGKCU-UHFFFAOYSA-N 367.290 2.400 50 40 FEGB O=C(CN1CCN(C(=O)CCl)CC1)Nc1ccccc1C(F)(F)F 34781278 ICKPGPSMWCYUFO-UHFFFAOYSA-N 363.767 2.027 50 40 FEGB CCS(=O)(=O)[C@H](I)[C@@H](O)c1cccc(C)c1 96519290 QSICNQUAPFNUBB-QWRGUYRKSA-N 354.209 2.224 50 40 FEGB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1 3112297 GWUWFFJZHFTRSJ-LDADJPATSA-N 365.842 2.159 50 40 FEGB CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccncc2)c1 6596391 JHGAGWYDYUZKPQ-GFCCVEGCSA-N 372.450 2.208 50 40 FEGB CCOC(=O)[C@H](/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1)C(C)=O 3055351 FVTNOLXQMJVENQ-MAUPQMMJSA-N 355.799 2.289 50 40 FEGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 59433982 XKMWSVRULSTVCW-VCHYOVAHSA-N 356.338 2.001 50 40 FEGB O=C(NC(=S)NNC(=O)c1ccc(Cl)cc1Cl)c1ccncc1 2090765 NFHADFWZXJBLFK-UHFFFAOYSA-N 369.233 2.338 50 40 FEGB O=C(NNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccncc1 15272903 GUUKVXHEDNVSGX-UHFFFAOYSA-N 352.306 2.325 50 40 FEGB COc1cc(C(=O)NNC(=O)c2ccco2)cc(OC)c1Br 7959952 MRGLCRYWFZZWKW-UHFFFAOYSA-N 369.171 2.134 50 40 FEGB O=C(NN1C(=O)[C@@H](Cl)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1O 1633508 MYLSRKKIVQKDRD-KBPBESRZSA-N 361.741 2.136 50 40 FEGB Cc1ccc(-c2nnc(CCC(=O)NNC(=O)c3ccccc3O)o2)cc1 12778241 QGMRJRGBTGHCNX-UHFFFAOYSA-N 366.377 2.144 50 40 FEGB O=C(/C=C/c1ccccc1Cl)NC(=S)NNC(=O)c1ccncc1 2552069 XQGORCOOLRJCDT-AATRIKPKSA-N 360.826 2.084 50 40 FEGB Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccc(Br)o2)c1 4544261 VEUXMPXLNPDCPQ-QGMBQPNBSA-N 364.199 2.231 50 40 FEGB Cc1cccc(OCC(=O)N/N=C\c2cc3c(cc2[N+](=O)[O-])OCO3)c1C 4592685 KCSXYQOJVRSYBA-UWVJOHFNSA-N 371.349 2.469 50 40 FEGB COc1ccccc1C(=O)NN/C=C1\C(=O)N(c2ccccc2)N=C1C 4898353 JYIDGKANTZEBHJ-VBKFSLOCSA-N 350.378 2.236 50 40 FEGB Cc1ccc(O)c(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1 408679872 FLBGXDSBWKUBFM-SJSAEFMNSA-N 366.211 2.210 50 40 FEGB CCN1CCN(C(=O)[C@]23CC[C@](C)(C(=O)[C@H]2Br)C3(C)C)CC1 217941235 DHRDDRIHTXQAJH-JLZZUVOBSA-N 371.319 2.309 50 40 FEGB CCCOc1ccc(C(NC(=O)CCl)NC(=O)CCl)cc1OC 2696685 CXBJCNCTFQNVSA-UHFFFAOYSA-N 363.241 2.193 50 40 FEGB Cc1ccc(N(CC(=O)N/N=C/c2cccs2)S(C)(=O)=O)cc1C 20208647 UCERTDGBTXJWEI-LICLKQGHSA-N 365.480 2.281 50 40 FEGB COc1cc(NC(=O)CN(CCCl)CCCl)cc(OC)c1OC 1657374 QDOLXVZNEQAWIU-UHFFFAOYSA-N 365.257 2.431 50 40 FEGB COc1cc(C)c(S(=O)(=O)NNC(=O)c2cc(C)oc2C)cc1C 55559251 UXBVCFPZTDXGKT-UHFFFAOYSA-N 352.412 2.145 50 40 FEGB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NNC(=O)c1cccnc1 103916802 NQWKHOWUYBSILL-WJDWOHSUSA-N 353.357 2.152 50 40 FEGB CC[C@H](C)NC(=O)C(=O)N/N=C(\C)CC(=O)NC1CCCCCCC1 4898789 YWVATSMSLLXFMZ-NONDHBLVSA-N 352.479 2.012 50 40 FEGB CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)cc([N+](=O)[O-])c1O 409378011 MNAZWRNEQLDINQ-VXLYETTFSA-N 364.402 2.072 50 40 FEGB CC(=O)c1cccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1 9996259 HPHHPJGREKUCLG-ZDUSSCGKSA-N 374.368 2.022 50 40 FEGB COc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3ccccc3c2=O)cc1 948564 UYDJUPWHHSMNJR-PUFAJPFRSA-N 350.378 2.116 50 40 FEGB Cc1ccccc1N(CC(=O)N/N=C/c1ccccc1F)S(C)(=O)=O 19954710 HEZIHPVYZDJVDO-YBFXNURJSA-N 363.414 2.050 50 40 FEGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2ccccc2)C1 3084752 ARRMPIMJHKTOLV-YRIIZNAFSA-N 352.350 2.098 50 40 FEGB CCN(CC)c1ccc(/C=N/NC(=O)CNC(=O)c2cccs2)c(O)c1 4045767 RAZWXYCGATYTSB-RGVLZGJSSA-N 374.466 2.180 50 40 FEGB Cn1cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)c2ccccc21 4710282 WAEDZPPPYBMMNB-AOMXKUIXSA-N 360.417 2.158 50 40 FEGB COc1cccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 8166669 JUCUXIPWBAEEGG-VPNURPJOSA-N 355.369 2.338 50 40 FEGB N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1ccc(C(=O)O)cc1 13344937 ZIIMUMWPIIPOCI-NTEUORMPSA-N 366.329 2.394 50 40 FEGB COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c(O)c([N+](=O)[O-])c1 59720949 JJUZTVKPEWVDGG-UFWORHAWSA-N 362.317 2.010 50 40 FEGB CCS(=O)(=O)[C@@H](I)C(=O)c1cccc(C)c1 96517972 NZTLCYCQNCEJBN-LLVKDONJSA-N 352.193 2.374 50 40 FEGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)N1CCCC1 59515670 SUEIISHOKUUHQX-KGENOOAVSA-N 351.406 2.338 50 40 FEGB CSc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 58885144 NMMVYBIZFGZFPU-LICLKQGHSA-N 358.379 2.406 50 40 FEGB CC1(C)OC(=O)C(=C2[C@H]3[C@@H]4[C@@H]5C[C@@H]6[C@@H]([C@H]25)[C@@H](Br)[C@@H]3[C@@H]64)C(=O)O1 100012047 RJGIOBOOMIYNRD-NVWPMQSWSA-N 365.223 2.270 50 40 FEGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CC#N)cc2)cc1 28214273 GEGJCYDZXOMEFO-CIAFOILYSA-N 366.377 2.076 50 40 FEGB CN1C(=O)[C@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CCCC[C@H]32)c2ccccc21 4102758 PEZJSTDHNRFYFO-SZNDQCEHSA-N 355.401 2.411 50 40 FEGB O=C(COc1cccc2ccccc12)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 4657098 YSQDSKJOTQOSOT-CVEARBPZSA-N 370.405 2.257 50 40 FEGB CCOc1ccc(C(=O)NNC(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1 8373973 PRPPMPLREUKDCW-GOSISDBHSA-N 369.421 2.114 50 40 FEGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 409171932 DZRGHURSXKKZDQ-WOJGMQOQSA-N 368.305 2.279 50 40 FEGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC)cc3)[C@@H]2C1 2274909 JPLYJWOJPPJXTE-RTBURBONSA-N 359.433 2.440 50 40 FEGB COc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 2371906 DXHKTCXVGQLLAW-FVUPAENESA-N 355.369 2.338 50 40 FEGB O=C(N/N=C/c1cc(Br)ccc1O)C(=O)NC1CCCCC1 3666319 HKPSIBXFIIBPOG-RQZCQDPDSA-N 368.231 2.054 50 40 FEGB COc1ccc(/C(C)=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1OC 5222244 GQGBEZQDTHDFJC-TYJAPOHBSA-N 356.378 2.384 50 40 FEGB CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccncc2)cc1 6592584 UNCBTKKOJKFCRL-UHFFFAOYSA-N 372.450 2.210 50 40 FEGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1O 36030388 CVECAPFVUIHZLN-RQZCQDPDSA-N 374.309 2.371 50 40 FEGB CCN(CC)S(=O)(=O)C[C@]1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2Br 103242703 GABZYPCVFFKYPB-UZGDPCLZSA-N 366.321 2.427 50 40 FEGB CCN(CC)S(=O)(=O)C[C@@]1(C)[C@H]2CC[C@@]1(C)C(=O)[C@H]2Br 261361208 GABZYPCVFFKYPB-IMIFBBOLSA-N 366.321 2.427 50 40 FEGB Cc1ccsc1/C=N/NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 409135682 ZPLSXHOPXJTMRA-MHWRWJLKSA-N 351.453 2.216 50 40 FEGB CCCCC(=O)NN/C=C1/C(=O)N=C(O)N(c2ccc(C(C)C)cc2)C1=O 2287785 RZMKWTVBPWOSLT-PTNGSMBKSA-N 372.425 2.292 50 40 FEGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(OC)cc2O)cc1 409393209 VPWNXKOBFGALPA-RGVLZGJSSA-N 372.377 2.107 50 40 FEGB COc1cccc(/C=N/NC(=O)CN2Cc3cc(C)c(C)cc3C2)c1O 409207330 VLBVQXWBPUOQOZ-ZVBGSRNCSA-N 353.422 2.484 50 40 FEGB CCCCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccncc1 32975384 FDSWIHGZUIZTCO-UHFFFAOYSA-N 351.410 2.235 50 40 FEGB N#Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2ccc(Cl)cc2)n1 408720769 CXPNXECRZAFYKY-KEBDBYFISA-N 365.784 2.015 50 40 FEGB C/C(=N\NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc2c(c1)OCO2 5560661 QWIPPFGTINYYFG-DJKKODMXSA-N 354.288 2.171 50 40 FEGB Cc1ccc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)cc1C 7907352 CANBRXHEEPQKQA-UHFFFAOYSA-N 357.435 2.418 50 40 FEGB C/C(=N/NC(=O)c1cc(O)c(O)c(O)c1)c1ccc(NC(=O)C2CC2)cc1 13322100 AWYUTIIJPIEVTC-FBHDLOMBSA-N 369.377 2.306 50 40 FEGB O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1 5390930 JNWSMYGFDIVJEQ-CPNJWEJPSA-N 354.366 2.195 50 40 FEGB O=C(C/N=C/c1cccnc1)c1ccc(C(=O)N/N=C/c2cccnc2)o1 2779726 CDWOQPCCACHKAL-LCHFAGMQSA-N 361.361 2.135 50 40 FEGB NC(=O)N/N=C(/C[C@H]1OC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 6576178 DAEVJUKONCBJKM-ATPAHOSSSA-N 354.322 2.269 50 40 FEGB Cc1ccc(C)c(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 101313075 AVLSKUNSNOKZRA-BREGNPSQSA-N 372.899 2.144 50 40 FEGB Cc1[nH]c2ccccc2c1/C=N\NC(=O)Cn1nnc(-c2ccccc2)n1 13602537 JUBPMWRYJPVPBN-JAIQZWGSSA-N 359.393 2.280 50 40 FEGB CC1=C(C#N)[C@@](NC(=O)c2ccc(OC(C)C)cc2)(C(F)(F)F)C(=O)N1 5219415 ODGQTFWSAHQLPX-INIZCTEOSA-N 367.327 2.432 50 40 FEGB Cn1cc(C(=O)NNS(=O)(=O)c2cc(F)ccc2F)c2ccccc21 7907488 QMRWFWCXKOVADF-UHFFFAOYSA-N 365.361 2.080 50 40 FEGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(SC#N)c([N+](=O)[O-])c1 16693888 MBVBKPMIHIRJFC-GHXNOFRVSA-N 369.362 2.302 50 40 FEGB CC1(C)N=C(N)N=C(N)N1c1ccc(CN(CCCl)CCCl)cc1 1696746 IDRIJVSVMIKCPE-UHFFFAOYSA-N 371.316 2.152 50 40 FEGB Cc1cc(/C=N/NC(=O)CN2CCOCC2)c(C)n1-c1ccccc1F 28216616 TUDUJGCNCVARKU-CIAFOILYSA-N 358.417 2.016 50 40 FEGB CC[C@@H](NNC(=O)c1cc(C)nc2ccccc12)C(=O)Nc1cc(C)on1 14199051 XHNQUNVYLUHEPH-OAHLLOKOSA-N 367.409 2.491 50 40 FEGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 408568661 VWJWHMPGDYTYJO-WQRHYEAKSA-N 368.305 2.279 50 40 FEGB Cc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(C)(=O)=O)cc1 20208028 MOIHWGGANMUZOJ-LICLKQGHSA-N 365.480 2.281 50 40 FEGB O=C(N/N=C1\C(=O)N(C2CSC2)c2ccc(C(F)(F)F)cc21)C1CC1 223745456 SNNWNXKSHGNCNT-MOSHPQCFSA-N 369.368 2.398 50 40 FEGB CCOc1ccc(C(=O)NNC(=O)c2cc(Br)cn2C)cc1 16269750 JQXNIWHONCRQQJ-UHFFFAOYSA-N 366.215 2.261 50 40 FEGB Cc1ccsc1/C=N/NC(=O)CN(c1ccccc1F)S(C)(=O)=O 6504891 ZCSOOGKPNVZHQP-RQZCQDPDSA-N 369.443 2.112 50 40 FEGB Cc1cc2c(c(=O)n1Cc1ccccn1)[C@H](c1cccnc1)C(C#N)=C(N)O2 2253422 FSOXJGFDUNIVOR-GOSISDBHSA-N 371.400 2.213 50 40 FEGB Cc1cccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 408908759 YOEOATJVKRXUJV-DQPIFXJKSA-N 359.451 2.300 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1[N+](=O)[O-] 408970937 FBUKXFOLFPBGTN-VXLYETTFSA-N 370.365 2.309 50 40 FEGB CN(C)c1ccc(/C=N\NC(=O)N/N=C\c2ccc(N(C)C)cc2)cc1 31628836 MFNUMNHZUBBQSG-NMGXZBPKSA-N 352.442 2.486 50 40 FEGB O=C1NC(=O)c2ccccc2/C1=C\NNC(=O)C12CC3CC(CC(C3)C1)C2 16719828 CNNNQZLMMLKJLB-GZTJUZNOSA-N 365.433 2.135 50 40 FEGB COc1ccc(S(=O)(=O)NNC(=O)Nc2cccc(C)c2)c(OC)c1 20408285 IEYVZCAYQVKEGW-UHFFFAOYSA-N 365.411 2.027 50 40 FEGB O=C(CN1CCCc2ccccc21)NNC(=O)c1nccc2ccccc12 69515961 NVQFWHWJNFDMDX-UHFFFAOYSA-N 360.417 2.449 50 40 FEGB Cc1c(C(=O)OCC(=O)NNC(=O)c2ccc(F)cc2)oc2ccccc12 3393048 VDBOVMLTSRJKSI-UHFFFAOYSA-N 370.336 2.498 50 40 FEGB O=C(NNC(=O)c1cccc(Cl)c1)C1=NN(c2ccccc2)C(=O)CC1 5579064 IFFLDJIXTQLZGN-UHFFFAOYSA-N 370.796 2.284 50 40 FEGB Cc1ccc(C(=O)NN[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 857235 CUICXMWCGWEPOI-HNNXBMFYSA-N 357.797 2.215 50 40 FEGB COCCn1c(C)cc2c(c1=O)[C@H](c1cccc(OC)c1)C(C#N)=C(N)O2 2441026 LGDGPHOVWPJIFE-QGZVFWFLSA-N 367.405 2.030 50 40 FEGB Cc1oc(-c2ccccc2)nc1C(=O)NNC(=O)c1ccc2c(c1)OCO2 8937776 ZMMQAMHTDPZNOL-UHFFFAOYSA-N 365.345 2.454 50 40 FEGB O=C(CCl)N(CCCNC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 4981065 RPFLJHUKWQKWPO-UHFFFAOYSA-N 367.711 2.235 50 40 FEGB Nc1ccccc1C(=O)N/N=C\c1cc(Br)c(O)cc1O 35188405 HQRCCFMUADYGBH-IDUWFGFVSA-N 350.172 2.206 50 40 FEGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1O 5711748 GVVIWICKDCKJJA-VCHYOVAHSA-N 359.338 2.472 50 40 FEGB Cc1ccc(S(=O)(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)s1 39969530 VIWUKPNYWSKDMK-UHFFFAOYSA-N 362.436 2.070 50 40 FEGB Cc1n[nH]c2c1[C@]1(C(=O)N(CCC(C)C)c3ccccc31)C(C#N)=C(N)O2 6772919 PADLGOYSFGFVFX-HXUWFJFHSA-N 363.421 2.483 50 40 FEGB COc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1O 5879778 CPYLEMWUESVBCX-MKMNVTDBSA-N 352.346 2.353 50 40 FEGB CC1=C(C(=O)OC(C)C)[C@]23C(=O)c4ccccc4[C@]2(O1)OC(N)=C3C#N 100581376 IARGRXDKCRNPFY-MOPGFXCFSA-N 352.346 2.002 50 40 FEGB N#Cc1ccccc1OCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 5860743 AZHXNHPJLZSJGW-UHFFFAOYSA-N 353.422 2.301 50 40 FEGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)CC1(C)OCCO1 409059164 UQPYJTVOJHJYLX-KGENOOAVSA-N 352.390 2.455 50 40 FEGB Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3c(C)nn(C)c3F)cc2)n1 252492092 MCFBRNYVBRYXAY-UFFVCSGVSA-N 368.416 2.493 50 40 FEGB C[C@]1(O)NC([C-](C#N)C#N)=C(C#N)[C@H](c2ccc(F)cc2)[C@H]1[n+]1ccccc1 100041411 YOJAKELRJSHEPN-CEWLAPEOSA-N 373.391 2.149 50 40 FEGB CCOc1ncccc1C(=O)NNC(=O)c1ccccc1-n1cccc1 12521894 GQYYUUIZLYPXRV-UHFFFAOYSA-N 350.378 2.346 50 40 FEGB C/C(Cc1ccccc1)=N\NC(=O)Cn1nnc(-c2ccc(F)cc2)n1 408977214 VYNOCLYHWZUOSA-DEDYPNTBSA-N 352.373 2.214 50 40 FEGB COc1ccc(CC(=O)N/N=C\c2ccc(OCC#N)c(OC)c2)cc1 33726050 YOKZPVWSIOAKIK-BKUYFWCQSA-N 353.378 2.299 50 40 FEGB CC1=C(C(=O)OC(C)(C)C)[C@@]2(C(=O)N1C)C(C#N)=C(N)Oc1ccccc12 4517036 BSAFIUGZSPIUNU-FQEVSTJZSA-N 367.405 2.098 50 40 FEGB O=C(N/N=C/c1cc(I)ccc1O)c1ccncc1 2338680 QBXPCHYAYIRPSW-LZYBPNLTSA-N 367.146 2.156 50 40 FEGB COc1cc(/C=N\NC(=O)c2cccc(O)c2)ccc1O[C@@H](C)C(=O)O 409012305 QGDSMRUYUJFWDV-ORPVNXHJSA-N 358.350 2.017 50 40 FEGB O=C(CNc1nc2ccccc2s1)NNC(=O)c1ccc2[nH]cnc2c1 15520143 JPRUNGRHEROOPC-UHFFFAOYSA-N 366.406 2.046 50 40 FEGB Cc1cc(OCC(=O)NNS(=O)(=O)c2cccs2)ccc1Cl 7517380 FSSGVFGZLJPBIQ-UHFFFAOYSA-N 360.844 2.098 50 40 FEGB COc1cc(/C(C)=N/NC(=O)c2ccccc2F)ccc1OCC(=O)O 8105409 AFVCQSZJYJVRKG-RGVLZGJSSA-N 360.341 2.452 50 40 FEGB COc1cccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c1OC 2055537 ZAZJBIZJHFKGBC-DZUMZMOTSA-N 355.394 2.031 50 40 FEGB C/C(=N\NC(=O)CNC(=O)c1ccccc1Cl)c1ccc(O)cc1O 100065708 UIDAXGTWIDHLKC-KEBDBYFISA-N 361.785 2.021 50 40 FEGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccccc1C(=O)O 59444393 ZUVDKBVDCTWFFN-DJKKODMXSA-N 359.769 2.435 50 40 FEGB O=C(Cc1ccc([N+](=O)[O-])cc1)NNC1=C(C(=O)C(F)(F)F)CCC1 4828515 WPRMFGWICLUYJL-UHFFFAOYSA-N 357.288 2.328 50 40 FEGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(C)cc1)S(C)(=O)=O 408783880 OEEWFYHIZPXCGI-DEDYPNTBSA-N 373.478 2.474 50 40 FEGB COc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3ccccc3c2=O)cc1 948566 UYDJUPWHHSMNJR-SRRANQMSSA-N 350.378 2.116 50 40 FEGB N#C/C(=C/N1CCN(c2ccc(F)cc2)CC1)C(=O)NCc1ccco1 5451253 CPDLNDSAFWAYEE-PFONDFGASA-N 354.385 2.265 50 40 FEGB O=C(N/N=C/c1ccc(O)cc1)C(=O)Nc1ccccc1Br 58884626 FCXCCNDXBJSBCC-RQZCQDPDSA-N 362.183 2.244 50 40 FEGB CC1=C(C#N)C(C(F)(F)F)(C(F)(F)F)N=C(CN2CCCC2=O)N1 40268828 LLDDWYBCRPIOPX-UHFFFAOYSA-N 354.254 2.271 50 40 FEGB O=C(N/N=C/c1ccccc1O)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 1089100 YLJMTCXZJYWOJB-YBFXNURJSA-N 365.349 2.309 50 40 FEGB CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)[C@H]1C[C@H]1c1ccccc1 5005244 ZCKAJUVJSSKYJL-JFLGTBITSA-N 363.417 2.115 50 40 FEGB COc1cccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1OC 8168765 IBQPBLWOAXJGOA-NGZBARDMSA-N 367.405 2.207 50 40 FEGB O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\C=C/c1ccco1 22916590 GJORQZSZENSKHG-WKRSCZHDSA-N 352.438 2.213 50 40 FEGB CCOc1ccccc1/C=N/NC(=O)CC(=O)NCCc1ccccc1 59435568 QPHKAZLGWOYJOV-PXLXIMEGSA-N 353.422 2.284 50 40 FEGB O=S(=O)(c1ccc(CCCl)cc1)N1CCN(c2nccs2)CC1 32935908 ODSQIDKJLZDUSX-UHFFFAOYSA-N 371.915 2.435 50 40 FEGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cccc(C(F)(F)F)c1 6310423 LOFWLCPRHWZOKO-CQSZACIVSA-N 366.295 2.306 50 40 FEGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1cccs1 4664367 FUPYJJVWQURTIC-GHRIWEEISA-N 365.480 2.363 50 40 FEGB O=C(CBr)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 35604947 USAOXAKEOXCGSK-UHFFFAOYSA-N 361.261 2.195 50 40 FEGB CCOc1cc(/C=C(\C#N)C(=O)OC(C)C)ccc1OCC(=O)N(C)C 6932763 HVEUVVWUYIQUIH-OQLLNIDSSA-N 360.410 2.411 50 40 FEGB COc1ccc(OC)c(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)c1 36144881 QHYMSZXMWJZWHT-NDENLUEZSA-N 358.394 2.414 50 40 FEGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 38179805 ZSJKCBITIFCTEE-GIJQJNRQSA-N 356.338 2.006 50 40 FEGB CCS(=O)(=O)[C@@H](I)C(=O)c1cccc(F)c1 96517966 SIFRQTKCZPJYNQ-SNVBAGLBSA-N 356.156 2.204 50 40 FEGB O=C(COC(=O)Cc1c(F)cccc1Cl)NNC(=O)c1ccccc1 3314225 CUCFQICEHUBXGF-UHFFFAOYSA-N 364.760 2.026 50 40 FEGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc2c(cc1Cl)OCO2 409048932 VBVYBGRFLSUZOG-FBCYGCLPSA-N 360.753 2.490 50 40 FEGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)o2)cc1 408816847 UUGUCZABTXNBKR-VBKFSLOCSA-N 367.405 2.348 50 40 FEGB COCCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc(C(C)=O)cc2)C1=O 5021820 URMADGLODTUULL-PDGQHHTCSA-N 367.405 2.430 50 40 FEGB O=C(NN[C@@H]1c2ccccc2C(=O)N1C[C@@H]1CCCO1)c1ccccc1 199418200 POYLWCZYLFNVHD-YJBOKZPZSA-N 351.406 2.255 50 40 FEGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1ccc(C#N)cc1F 102497800 SETMOVWVQOKREO-RSFOSLOZSA-N 363.352 2.452 50 40 FEGB Cc1ccccc1C(=O)NN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 857231 AZQCSTSZZKRLNE-OAHLLOKOSA-N 357.797 2.215 50 40 FEGB COC(=O)COc1cccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)c1 59472869 INJYVGUFXAXODO-BAOGCXAUSA-N 356.378 2.076 50 40 FEGB CCCC(CCC)=NNC(=O)C(=O)NCCc1ccc(OC)c(OC)c1 4499516 HQVBXORFANZSCF-UHFFFAOYSA-N 363.458 2.435 50 40 FEGB CCCc1ccc(S(=O)(=O)NNC(=O)c2c(C)nc3ccccn23)cc1 8725448 BULNZLQCTHAHTG-UHFFFAOYSA-N 372.450 2.219 50 40 FEGB CCS(=O)(=O)[C@H](I)C(=O)c1ccccc1F 96517963 IWPQWOQXJNBEMY-JTQLQIEISA-N 356.156 2.204 50 40 FEGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)N1CCOCC1 408995366 BUAPDKXTUBPNQR-RVDMUPIBSA-N 358.398 2.207 50 40 FEGB O=C(Cc1ccccc1)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 15225686 XDRSFPGVPRNQQZ-XSFVSMFZSA-N 368.393 2.124 50 40 FEGB O=C(COc1ccc(Cl)cc1)N/N=C1\C(=O)Cc2ccc([N+](=O)[O-])cc21 9871811 SNVGHPQTVHKIAS-JZJYNLBNSA-N 373.752 2.273 50 40 FEGB Cc1c(Cl)cccc1N1C(=O)C[C@H](NNC(=O)c2cccs2)C1=O 2656220 SCEQOGHDVMFYRW-NSHDSACASA-N 363.826 2.276 50 40 FEGB COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(F)c(C(F)(F)F)c1 95467086 DKUUDMOBNHEQRX-QMMMGPOBSA-N 367.299 2.049 50 40 FEGB NNC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 3885833 SKCMQMFLHAPYTL-UHFFFAOYSA-N 360.222 2.398 50 40 FEGB Cc1ccccc1C(=O)NNC(=O)CCCn1c(=O)oc2ccccc21 15692350 SMDUXKBLQJUBBE-UHFFFAOYSA-N 353.378 2.144 50 40 FEGB Cc1nn(CC(=O)N/N=C/c2ccn(CC(F)(F)F)n2)c(C)c1Cl 252505502 VSABAGUBUXHDAK-BLLMUTORSA-N 362.743 2.062 50 40 FEGB CCN(CC)C(=O)c1ccc(N/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)cc1 6274493 YGHRKZSJGRAMMK-ATVHPVEESA-N 366.421 2.303 50 40 FEGB Cc1cc(C(=O)NNC(=O)c2ccccc2OC(F)(F)F)nc(Cl)n1 2559293 DAFHUSJCZIYUQN-UHFFFAOYSA-N 374.706 2.412 50 40 FEGB Cn1cccc1CC(=O)N/N=C\c1ccc(Br)c([N+](=O)[O-])c1 30738208 COKYSOGTRZVFRF-SXGWCWSVSA-N 365.187 2.389 50 40 FEGB O=C(NNC(=O)[C@@H]1CCCO1)c1ccc2noc(-c3ccccc3)c2c1 32258783 DXOISAPMBGPUJY-INIZCTEOSA-N 351.362 2.435 50 40 FEGB CC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2ccc3c(c2)C(=O)OC3)o1 12630565 IWHPPQYMFCEFIH-AUWJEWJLSA-N 360.325 2.497 50 40 FEGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2)c(OC)c1 59515992 QOBIKIVOYAIEGE-VXLYETTFSA-N 361.785 2.446 50 40 FEGB Cc1cccc(N(CC(=O)N/N=C/c2ccccc2F)S(C)(=O)=O)c1 20060274 UKJKBOATEJWDJD-YBFXNURJSA-N 363.414 2.050 50 40 FEGB CCN(CC)c1ccc(CN(C)C(=O)NNC(=O)c2ccccn2)cc1 9154793 RLIJRMOZRPJPSU-UHFFFAOYSA-N 355.442 2.414 50 40 FEGB COc1ccc(/C(C)=N/NC(=O)c2c(Br)cnn2C)cc1 5381656 YUTRCGAWUPUGCB-RQZCQDPDSA-N 351.204 2.345 50 40 FEGB COc1ccc(/C(C)=N/NC(=O)CNC(=O)c2cccs2)c(OC)c1 4825691 IBOMLRNRPXWLGR-YBFXNURJSA-N 361.423 2.036 50 40 FEGB NNC(=O)COc1c(Br)cc(Cl)cc1Br 226241119 ISRRUNRYXCGBDF-UHFFFAOYSA-N 358.417 2.234 50 40 FEGB COc1ccc(CC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 5526923 NYQCDBOQSNRLOO-GIJQJNRQSA-N 357.322 2.025 50 40 FEGB CC(=O)Oc1ccccc1/C=N\NC(=O)COc1ccc(C)cc1[N+](=O)[O-] 9355329 OPWDGNHMKFXWRJ-GRSHGNNSSA-N 371.349 2.358 50 40 FEGB COc1cccc2cc(C(=O)N/N=C/c3ccc(OCC(N)=O)cc3)oc12 408965621 WKZLWFIOQAYOMY-UFFVCSGVSA-N 367.361 2.069 50 40 FEGB COc1cccc(C(=O)N/N=C/[C@@H]2C(=O)N(c3ccccc3)N=C2C)c1 408739974 HFXMFWJIQFXILI-RONKMWSCSA-N 350.378 2.450 50 40 FEGB COc1ccc(N2C(=O)CS/C2=C(/C#N)C(=O)NCc2ccco2)cc1 3222656 MJWCNSWCPFTETO-SDXDJHTJSA-N 369.402 2.420 50 40 FEGB COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)Nc2ccccn2)c1 100549006 HLQRERPUHFKYSX-CIAFOILYSA-N 356.382 2.233 50 40 FEGB CCCCNC(=O)/C(C#N)=C\Nc1cc(OC)c(OC)cc1C(=O)OC 101192733 FWKSYDVBLHHTTF-QXMHVHEDSA-N 361.398 2.226 50 40 FEGB COc1cc(/C=N/NC(=O)c2cccc(N3CCCC3=O)c2)ccc1O 822279 AHFXHGCNLMFGPU-UDWIEESQSA-N 353.378 2.292 50 40 FEGB O=C(COc1ccc2ccccc2c1)NNC(=O)C(=O)Nc1ccccc1 4713815 RTSWVEODSPMYNG-UHFFFAOYSA-N 363.373 2.005 50 40 FEGB Cc1cccc(/C=N/NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)c1 107728962 KOQQJISEQPUGMG-RGVLZGJSSA-N 373.478 2.349 50 40 FEGB CCOC(=O)NNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 58342822 OVYZILHWPZYLTN-GHMZBOCLSA-N 354.382 2.222 50 40 FEGB CCCn1nc(C(=O)NNC(=O)c2ccc(C)cc2)c2ccccc2c1=O 3451750 FJYMIFJQWTUWCR-UHFFFAOYSA-N 364.405 2.190 50 40 FEGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccncc2)[C@H]2CC3(CC=C12)OCCO3 19852943 ONZBGUBSZFVIET-DOTOQJQBSA-N 359.389 2.028 50 40 FEGB CCOc1ccccc1/C=N/NC(=O)c1c(Br)cnn1C 2742924 FTZZJHFKPABODB-LZYBPNLTSA-N 351.204 2.345 50 40 FEGB COc1ccc(/C=N\NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1OC 32119746 SWNUVHHALWQLCB-RQZLXBNYSA-N 355.394 2.031 50 40 FEGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCC(=O)O 4902840 RCUXGVRHQMFCOY-RIYZIHGNSA-N 370.361 2.365 50 40 FEGB Nc1nc(N)c(/N=C\c2ccc(N(CCCl)CCCl)cc2)c(N)n1 104078343 JXDDRZNRWSKWTN-NKVSQWTQSA-N 368.272 2.258 50 40 FEGB C/C(=N\NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc2c3c(cccc13)CC2 96298060 TWVCHWZUKIUYTM-NGZBARDMSA-N 371.462 2.149 50 40 FEGB C#CCOc1cccc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)c1 409366549 VYXWUJSBGYXQNL-STZFKDTASA-N 352.390 2.409 50 40 FEGB C[C@@H]1C[C@@H](NNC(=O)CCCc2nc(-c3cccs3)no2)CCO1 95468763 GLZWAITUKJJIQL-NEPJUHHUSA-N 350.444 2.309 50 40 FEGB Cc1ccccc1S(=O)(=O)NNC(=O)CSCc1ccccc1 12346239 VUFWQWQVMXJQHT-UHFFFAOYSA-N 350.465 2.238 50 40 FEGB CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)c2ccccc21 4626022 FAFCVSGYLBGBAH-OAQYLSRUSA-N 369.384 2.425 50 40 FEGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1 1410906 YLBBNQLEDODMDT-GXDHUFHOSA-N 352.346 2.490 50 40 FEGB C/C(=N\NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-n2cccc2)cc1 5249963 WQCGCOQQEGJZNL-CPNJWEJPSA-N 352.354 2.122 50 40 FEGB C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)OCCO2 5222331 VWKRJAIJGPTNPV-BAOGCXAUSA-N 354.362 2.138 50 40 FEGB O=C(NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1F 3669029 WZMGWKHXLHIUJU-KGLIPLIRSA-N 357.410 2.265 50 40 FEGB Cc1ccc(OCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 36231003 HGMFZTJLCFNESY-CAOOACKPSA-N 374.309 2.046 50 40 FEGB Cc1occc1C(=O)NNC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 53957428 DYWBKEXZHYVBHX-LBPRGKRZSA-N 368.397 2.216 50 40 FEGB O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccccn1 2342805 BPEJJJHCVOSMEJ-FRKPEAEDSA-N 365.143 2.222 50 40 FEGB O=C(CN1CCCc2ccccc21)NNC(=O)C1=Cc2ccccc2OC1 15708562 WLPNEYGHKSDVKS-UHFFFAOYSA-N 363.417 2.063 50 40 FEGB COc1cc(C(=O)NNC(=O)CNc2ccccc2)ccc1OC(C)C 32879971 GPRGAWXBEPALEA-UHFFFAOYSA-N 357.410 2.356 50 40 FEGB CC(C)N1C(=O)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 100085839 DIINGERVOVUZTM-KNTRCKAVSA-N 352.350 2.484 50 40 FEGB Cn1ncc2c(NNC(=O)CSc3nc4ccccc4s3)ncnc21 1805280 SPOYZTBKFNDZQY-UHFFFAOYSA-N 371.451 2.208 50 40 FEGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)Cc2ccccc2)cc1C 2134666 UBSAKVWSHQMWTJ-UHFFFAOYSA-N 353.422 2.412 50 40 FEGB CN(C)S(=O)(=O)c1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c1 6581134 CJUMTHLKCSIOOI-UHFFFAOYSA-N 350.352 2.064 50 40 FEGB CC(C)N1C(=O)/C(=N\NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 18105706 AJAKLVWRGDHZGI-MNDPQUGUSA-N 352.350 2.484 50 40 FEGB COc1ccc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c(OC)c1 33688224 WAXUCNACDBHWMM-QGMBQPNBSA-N 373.321 2.105 50 40 FEGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(N(C)C)cc1 408604507 JYCJDJSUFNGZJO-HNNXBMFYSA-N 369.450 2.310 50 40 FEGB NNC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2O1 225330413 AGABFOUSJAQJMS-AWEZNQCLSA-N 366.204 2.391 50 40 FEGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1OC 849760 WHGJTTKROIGINR-HNNXBMFYSA-N 374.393 2.357 50 40 FEGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(C)ccc2[nH]c1=O 876473 CFIUIKAHNUBOCB-MRXNPFEDSA-N 351.362 2.091 50 40 FEGB O=C(Nn1cnnc1)[C@@H](Br)[C@@H](Br)c1ccccc1 3160327 UXIJLFOWVPTCMV-UWVGGRQHSA-N 374.036 2.248 50 40 FEGB O=C(NNC(=O)c1ccccc1Cl)c1ccc(N2CCOC2=O)cc1 42793533 JWUFSAUSKDVROV-UHFFFAOYSA-N 359.769 2.371 50 40 FEGB N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)N[C@H]1CCS(=O)(=O)C1 16791010 PGDXPRGEZDDUAZ-CTXBLAANSA-N 374.393 2.296 50 40 FEGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCC3)=C2C#N)cc1 409337095 WRDOXOHKQPAUTC-HNNXBMFYSA-N 371.462 2.389 50 40 FEGB Cc1ccccc1N1C[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O 408643006 QLTLISPAQABWBD-CQSZACIVSA-N 371.824 2.463 50 40 FEGB COc1ccc(CCC(=O)NNC(=O)CCc2ccc(OC)cc2)cc1 5880018 ZABFLXKBPVEVDH-UHFFFAOYSA-N 356.422 2.417 50 40 FEGB C#CCN1C(=O)/C(=N\NC(=O)Cc2ccc(Cl)cc2)c2ccccc21 5368440 XCLPXUPILYKKDL-PYCFMQQDSA-N 351.793 2.383 50 40 FEGB COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc([N+](=O)[O-])c1O 35784251 RWRXOCMTSDOKBX-DJKKODMXSA-N 358.354 2.180 50 40 FEGB O=C(N/N=C1\C(=O)N(CN2CCCC2)c2ccccc21)c1cccs1 36123736 GEYOPXIIUBJFFB-MNDPQUGUSA-N 354.435 2.282 50 40 FEGB CCOC(=O)NNC(=O)c1[nH]nc(-c2ccccc2)c1Br 65094805 UXACWCCDIAOHHH-UHFFFAOYSA-N 353.176 2.230 50 40 FEGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(Br)o2)c1 1097547 BFSMYASJUVEHQA-UHFFFAOYSA-N 367.199 2.499 50 40 FEGB O=C1[C@@H](Br)C[C@@H]2[C@H]1[C@H]1CC[C@@]2(Br)C12OCCO2 103926722 JBOPXKCTVFPBRR-DZEUPHNYSA-N 366.049 2.256 50 40 FEGB COCC1=C(C(=O)OC)[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O1 4189078 ATGRANRHFWYYCG-GFCCVEGCSA-N 352.749 2.360 50 40 FEGB Cn1cc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 6788820 ZPCKSKJUPMXUIB-UHFFFAOYSA-N 363.826 2.455 50 40 FEGB CCN1C(=O)/C(=N/NC(=O)c2cccnc2)c2cc(Br)ccc21 18155154 DTVMVACZYCZVDY-XMHGGMMESA-N 373.210 2.345 50 40 FEGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)[C@H]2COc3ccccc3O2)cc1 408880137 DNTUKEXQFZZDNG-AGKWGAAGSA-N 353.378 2.325 50 40 FEGB COc1ccc(OCC(=O)NNC(=O)c2cc(C)nc3ccccc23)cc1 15885210 UJJNFKPBYIKHTF-UHFFFAOYSA-N 365.389 2.392 50 40 FEGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)c1ccccc1F 2283183 DEPPMRNWOVNEOM-LSHDLFTRSA-N 352.369 2.496 50 40 FEGB Cc1nc(C2CC2)nc2sc(C(=O)NNC(=O)[C@H]3CCCO3)c(C)c12 32260974 FUSCVNFCWBUMJG-LLVKDONJSA-N 360.439 2.126 50 40 FEGB CC1=C(C(=O)OC(C)C)[C@]2(C(=O)Nc3ccc(C)cc32)C(C#N)=C(N)O1 850919 DQEWAMMQHINHNX-LJQANCHMSA-N 353.378 2.135 50 40 FEGB O=C(NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)c1cc(Br)c[nH]1 107327275 ALTHPFLFVDFQTP-NRPADANISA-N 357.277 2.075 50 40 FEGB C[C@@H]1C[C@H](NNC(=O)CCCc2nc(-c3cccs3)no2)CCO1 95468761 GLZWAITUKJJIQL-VXGBXAGGSA-N 350.444 2.309 50 40 FEGB O=C(COc1cccc2cccnc12)N/N=C\c1cccc([N+](=O)[O-])c1O 409023437 MPNHTOSJIQTHFH-JMIUGGIZSA-N 366.333 2.378 50 40 FEGB CCCCOc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 102198910 PYGNXAANFMXGPR-OTRWWLKZSA-N 372.421 2.149 50 40 FEGB CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc([N+](=O)[O-])c1O 37061997 ITWZBRUKCAMHAU-YBFXNURJSA-N 373.365 2.401 50 40 FEGB Cc1[nH]c2ccccc2c1/C=N\NC(=O)CNC(=O)c1ccc(F)cc1 36077405 MNEORMFFWSNAMB-YVNNLAQVSA-N 352.369 2.496 50 40 FEGB COCCNC(=O)/C(C#N)=C/c1ccc(N(C)C)c(Br)c1 408799166 JWWREUZDRRRNPR-XYOKQWHBSA-N 352.232 2.185 50 40 FEGB O=C(CN1C(=O)c2ccccc2C1=O)N[C@H](Cl)C(Cl)(Cl)Cl 96517692 QRGOAIUAXGUGSZ-NSHDSACASA-N 370.019 2.334 50 40 FEGB CCCc1cc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)cs1 102220772 FJCJOGAMRAYXOZ-GVARAGBVSA-N 362.451 2.375 50 40 FEGB CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)CCl 1702273 BDCWQOMLWHXEAK-HZPDHXFCSA-N 352.862 2.073 50 40 FEGB O=C(NNC(=O)c1cc(-c2ccccc2)on1)c1ccc2c(c1)OCCO2 12793237 WXCUQJYMNBCUQO-UHFFFAOYSA-N 365.345 2.188 50 40 FEGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CC1(C)OCCO1 408999810 XSZXDEAMRUMJQU-LDADJPATSA-N 364.402 2.044 50 40 FEGB O=C(O)/C=C\C(=O)N/N=c1\scc(-c2ccccc2)n1Cc1ccco1 100840829 KHBLQSLGRIOPAR-AOUOVFQDSA-N 369.402 2.431 50 40 FEGB CC1=C(C(=O)OCC(C)C)[C@]23C(=O)c4ccccc4[C@]2(O1)OC(N)=C3C#N 100590335 BYHDZUGZPZTKLS-UXHICEINSA-N 366.373 2.250 50 40 FEGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccc(C)c3)CC2=O)cc1 68933397 MZOBJXAIOYPRQP-INIZCTEOSA-N 351.406 2.118 50 40 FEGB C=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3[nH]nc(CCC)c32)c2ccccc21 6498923 PXLFGZQCCCOXLP-FQEVSTJZSA-N 361.405 2.267 50 40 FEGB Cc1ccc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/C(=O)O)cc2)cc1 1085633 VZLMLHOJYZYEGD-GZKUGWNMSA-N 351.362 2.338 50 40 FEGB CCOC(CC(=O)NNC(=O)Nc1cc(Cl)nc(Cl)c1)OCC 2154473 SBUPVQAYRZOYPU-UHFFFAOYSA-N 365.217 2.330 50 40 FEGB Cc1cc2c(c(=O)n1CCO)[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 4851058 IZBCRWAWLCTJJC-HNNXBMFYSA-N 357.797 2.021 50 40 FEGB COc1ccc(CC(=O)NNC(=O)CCCOc2ccccc2)cc1OC 6582795 HAQYLTGOSIPCFV-UHFFFAOYSA-N 372.421 2.253 50 40 FEGB COCCn1c(C)cc2c(c1=O)[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2 2340544 UVLNGFARWVSIFX-INIZCTEOSA-N 355.369 2.160 50 40 FEGB CN(C)c1cccc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c1 409105335 MURINILNZIRSCG-RCCKNPSSSA-N 352.438 2.353 50 40 FEGB COc1ccc(F)c([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 4599858 WAJVMPHKGNJCRO-AEFFLSMTSA-N 363.396 2.189 50 40 FEGB Cc1ccc(C(=O)NNC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)cc1 47931881 NIHYKPWONSVJEH-UHFFFAOYSA-N 354.391 2.381 50 40 FEGB Cc1ccc(O[C@H](C)C(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 100283738 PNLHMILUPPZTAZ-LLVKDONJSA-N 368.349 2.143 50 40 FEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc1 4698917 CGKBATCTUVVSCC-DEDYPNTBSA-N 353.378 2.349 50 40 FEGB O=C(NNC(=O)c1csc(COc2ccc(F)cc2)n1)c1ccccn1 24839946 PFWBZIZJDFNWAT-UHFFFAOYSA-N 372.381 2.331 50 40 FEGB Cc1cccc(C)c1OCC(=O)NNC(=O)COc1ccc2c(c1)CCC2 6561414 WULNZQHDNKKUCU-UHFFFAOYSA-N 368.433 2.397 50 40 FEGB COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(OC)c1OC 409130949 XKVJPFJDDRIOKI-QGZVFWFLSA-N 369.421 2.442 50 40 FEGB COc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)ccc1O 408974214 XFEFWXNJUSDUAL-CGOBSMCZSA-N 357.395 2.060 50 40 FEGB O=C(N/N=C\C=C\c1ccc2c(c1)OCO2)[C@H]1COc2ccccc2O1 13563543 HFDXFUZRSIKREF-MGUCFOQVSA-N 352.346 2.371 50 40 FEGB C/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])C1C(=O)c2ccccc2C1=O 100004390 OZUDHOPZHXVBIA-GRSHGNNSSA-N 351.318 2.396 50 40 FEGB CCSc1nnc(SCC(=O)NNC(=O)c2ccccc2)s1 3546059 GGGXWAILFXHZAB-UHFFFAOYSA-N 354.482 2.203 50 40 FEGB O=C(N/N=C/c1ccc(Br)o1)[C@H]1COc2ccccc2O1 3155038 JDXIZYHPMLDQPR-DYPRAHPUSA-N 351.156 2.332 50 40 FEGB O=C(NCc1cccnc1)C(=O)N/N=C/c1c(Cl)cccc1Cl 4688494 YDJSEKPQMBLEPU-AWQFTUOYSA-N 351.193 2.155 50 40 FEGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCC1)c1ccc(F)cc1 20211841 ZEQZEXMIFWRZIE-UHFFFAOYSA-N 355.435 2.418 50 40 FEGB CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)CCl 1702272 BDCWQOMLWHXEAK-CVEARBPZSA-N 352.862 2.073 50 40 FEGB COc1cc(/C=N/NC(=O)c2cncc(Br)c2)ccc1O 918985 OUBNGESRGULLSJ-UBKPWBPPSA-N 350.172 2.322 50 40 FEGB CC(C)c1ccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3)C2=O)cc1 2419184 KLCSNAQXLYHZBS-KRWDZBQOSA-N 351.406 2.377 50 40 FEGB CCOC(=O)COc1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)cc1 408535120 XPZQEEQNYDFYPI-WSDLNYQXSA-N 369.421 2.499 50 40 FEGB O=C(Cc1cc(O)n[nH]1)N/N=C/c1cccc(OCc2ccccc2)c1 1477004 XXVDLFQJRUZCHM-UDWIEESQSA-N 350.378 2.387 50 40 FEGB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1ccc(Cl)cc1 408734813 FEHCNGQTLOKWCZ-DJKKODMXSA-N 358.764 2.283 50 40 FEGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCC(=O)c1cccs1 6404848 KVZHHWOWSKDSTP-NSHDSACASA-N 364.398 2.465 50 40 FEGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCC(N)=O 83317156 RCCCENUZVSMOQD-FBHDLOMBSA-N 367.361 2.069 50 40 FEGB C[C@@]1(Br)[C@@H](Br)CS(=O)(=O)[C@@H]1Br 100838150 PRHKXBMDBZJYQR-VAYJURFESA-N 370.888 2.053 50 40 FEGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(C(=O)OC)cc1 5467323 PEFQGVJZDLWCKY-UDWIEESQSA-N 356.378 2.401 50 40 FEGB CCCCOc1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 5597160 DCUMJOXKHZTQGV-WTTBNOFXSA-N 374.437 2.373 50 40 FEGB COC(=O)C1=CO[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2[C@@H]1C[C@@H]1O[C@@]12CO 169747718 AZDURJIUWHQHDD-JMQDMHAUSA-N 356.491 2.187 50 40 FEGB COc1cc(/C=N/NC(=O)CNc2cccc(C)c2)cc([N+](=O)[O-])c1O 36011513 WGQCCWQYMGILRG-DJKKODMXSA-N 358.354 2.180 50 40 FEGB COc1ccc(OCC(=O)NNC(=O)c2cc(F)c(F)cc2Cl)cc1 2651406 LWBIOYYPBZBWGT-UHFFFAOYSA-N 370.739 2.467 50 40 FEGB CNC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1 409002385 NMTQCHXOKGIQRK-ZVBGSRNCSA-N 363.776 2.254 50 40 FEGB O=C(CCl)N(c1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 40177564 QHXHEARNSBWKSK-LLVKDONJSA-N 355.765 2.464 50 40 FEGB COc1ccc(-c2nn(CCC(=O)O)cc2C=C(C#N)C#N)cc1OC 3273741 NJLBKMHMANZLPH-UHFFFAOYSA-N 352.350 2.473 50 40 FEGB N#CCC(=O)N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1 3227928 JYLDFYIZKVHAOP-XDHOZWIPSA-N 355.423 2.010 50 40 FEGB COc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1I 59333591 MSVDRANCBHYXKX-POHAHGRESA-N 356.163 2.295 50 40 FEGB N#C/C(=C/c1ccco1)C(=O)NS(=O)(=O)c1cccc2cnccc12 69594667 USLVEWXOWJWDAC-LCYFTJDESA-N 353.359 2.240 50 40 FEGB O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc[nH]c1=O 12935677 QYABEBYVPLIBCW-UHFFFAOYSA-N 374.356 2.258 50 40 FEGB COc1ccc(N([C@@H](C)C(=O)N/N=C(\C)C(C)(C)C)S(C)(=O)=O)cc1 5205695 PCDHFQXTBRQNPE-DHPZXVACSA-N 369.487 2.388 50 40 FEGB NC(=O)N1CCC(C(=O)NN=C(c2ccccc2)c2ccccc2)CC1 66278271 FMXLFXYDPYDZHA-UHFFFAOYSA-N 350.422 2.346 50 40 FEGB COc1cc(OC)cc(C(=O)NNC(=O)c2ccc3ccccc3n2)c1 6948709 PAOISQRROCZQKV-UHFFFAOYSA-N 351.362 2.327 50 40 FEGB O=C(CN1CCOCC1)N/N=C/c1ccc(OCc2ccccc2)cc1 19851555 FHUASGKSORXGOZ-KGENOOAVSA-N 353.422 2.048 50 40 FEGB COc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc(OC)c1OC 409205342 HKLSOBRCKRVURF-NGZBARDMSA-N 353.378 2.470 50 40 FEGB CCc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3Cl)C2=O)cc1 18222800 NHQYLOUQJNOYSW-MRXNPFEDSA-N 371.824 2.469 50 40 FEGB COc1cc(C(=O)N/N=C2/CC(=O)c3ccccc32)cc(OC)c1OC 100946735 JSUWFNKRJPQBJI-ZHZULCJRSA-N 354.362 2.433 50 40 FEGB CC(=O)O[C@H]1C[C@@H](Br)[C@H](Br)C[C@@H]1OC(C)=O 4127980 XXYPEZQMKPVAQY-IMSYWVGJSA-N 358.026 2.171 50 40 FEGB CC1(C)O[C@@H]2C[C@@]3(OC3(C)C)[C@@H](CI)O[C@@H]2O1 4280689 BNDNCGMZYXPWLT-MFYTUXHUSA-N 354.184 2.236 50 40 FEGB COCCn1nc(C(=O)NN(c2ccccc2)c2ccccc2)ccc1=O 12976001 NWPKYWBPXHHXRG-UHFFFAOYSA-N 364.405 2.373 50 40 FEGB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1ccccc1Cl 408735686 VGEXDWOCGBTLBJ-DJKKODMXSA-N 358.764 2.283 50 40 FEGB CCOC(=O)N/N=C(\C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 36308761 ZJHUPMDYIIDOQQ-LDADJPATSA-N 365.411 2.228 50 40 FEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccccc1 7928295 LDVLAULLVNSBRC-CYBMUJFWSA-N 357.797 2.154 50 40 FEGB CCOc1ccccc1NC(=O)[C@H](Cl)[C@@](O)(C(=O)OC)C(F)(F)F 2769535 QWWNXYFXKXOVTR-GXFFZTMASA-N 369.723 2.098 50 40 FEGB COCCOC(=O)/C(C#N)=C/c1ccc(O)c(I)c1 4544582 NQBSXBTXCXOSON-UXBLZVDNSA-N 373.146 2.093 50 40 FEGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc([N+](=O)[O-])s3)[C@@H]2C1 4730728 HUFASBBJGJDBAN-IUODEOHRSA-N 366.406 2.011 50 40 FEGB COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(OC)c1OC 33658288 WNGJFQNSSHVSAA-ODLFYWEKSA-N 373.365 2.313 50 40 FEGB O=C(/C=C/c1ccco1)NNC(=O)COc1ccc(Br)cc1 6242812 CGPFUYWUGYOJEM-BQYQJAHWSA-N 365.183 2.282 50 40 FEGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccncc4)c32)ccc1O 8566307 CXMNQNVGINWOJC-HNNXBMFYSA-N 361.361 2.404 50 40 FEGB Cc1ccc(C(=O)NNC(=O)NCc2ccnc(N3CCCC3)c2)cc1 29327294 XBZSMGVBSVIQCR-UHFFFAOYSA-N 353.426 2.134 50 40 FEGB O=C(COc1cccc2cccnc12)N/N=C/c1cc([N+](=O)[O-])ccc1O 409104157 FULFPCNVCRSVIK-KEBDBYFISA-N 366.333 2.378 50 40 FEGB COc1cc(C(=O)NNC(=O)c2ccc3[nH]cnc3c2)ccc1OC(C)C 15527256 KXEYIOYEZRMSGO-UHFFFAOYSA-N 368.393 2.434 50 40 FEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)CNc1ccccc1 409389017 YTKXEHANLKNASY-VXLYETTFSA-N 358.354 2.174 50 40 FEGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 5481008 JLACXYUBAXWDQC-QGMBQPNBSA-N 370.321 2.046 50 40 FEGB COc1cc(CCC(=O)NNC(=O)c2ccccc2)cc(OC)c1OC 2625353 GGAIHBHAWFCROV-UHFFFAOYSA-N 358.394 2.106 50 40 FEGB CCCN1C(=O)/C(=N/NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 100903392 CZEJJDJIJILETP-STIUTOJCSA-N 365.389 2.104 50 40 FEGB O=C(NNS(=O)(=O)c1c(F)cccc1F)C12CC3CC(CC(C3)C1)C2 21316962 BEELVSWMTBMPSM-UHFFFAOYSA-N 370.421 2.491 50 40 FEGB CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1Nc1ccccc1C 9235453 YGWPEIMCNYBWNG-CIAFOILYSA-N 354.410 2.333 50 40 FEGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c([N+](=O)[O-])cc1OC 4615335 QRMPUCDVTNXXHT-WUXMJOGZSA-N 357.322 2.428 50 40 FEGB CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1O 409271241 SSMGFLCTHHZWPW-VCHYOVAHSA-N 359.338 2.472 50 40 FEGB CCOc1ccc2[nH]c(=O)c([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2c1 17918589 OSWAEIPHLAWWMZ-MRXNPFEDSA-N 363.377 2.177 50 40 FEGB CCc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 6542847 BIQVRVZQXGDFLU-DEDYPNTBSA-N 373.478 2.161 50 40 FEGB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNC(=O)c1ccccc1F 24765144 NNCLBYOZFYDLSK-GFCCVEGCSA-N 353.353 2.102 50 40 FEGB CC(C)=NO[C@@]1(c2cccc([N+](=O)[O-])c2)OC(N)=C(C#N)C1=C(C#N)C#N 100243358 HONSUBJLQJAMQJ-QGZVFWFLSA-N 364.321 2.228 50 40 FEGB O=C(CN1CCOCC1)N/N=C\c1cc(Cl)cc(Cl)c1Cl 409000879 NNPVQVZUIJQDHM-IDUWFGFVSA-N 350.633 2.429 50 40 FEGB O=P(c1ccccc1)(c1ccccc1)c1cc(S(=O)(=O)O)ccc1O 38143410 VMVABUNMPMHWGW-UHFFFAOYSA-N 374.354 2.278 50 40 FEGB biogenic COc1ccc([C@H]2c3cc4c(cc3O[C@H](NNC(N)=O)[C@H]2C)OCO4)cc1 5956709 GLLWVTQEQLAITJ-OXNYHJJDSA-N 371.393 2.083 50 40 FEGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@H]1OC(=O)c2ccccc21 32999504 MCHMPGSAOZPUGB-MEDUHNTESA-N 372.352 2.042 50 40 FEGB O=C(COc1ccc2ccccc2c1)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 17075857 XBPQLOBVVDTMNS-IRXDYDNUSA-N 370.405 2.257 50 40 FEGB N#C/C(=C/c1ccc(-c2ccccc2C(=O)O)o1)C(=O)N1CCOCC1 12628708 BDFKJXHBUYCZHA-QBFSEMIESA-N 352.346 2.411 50 40 FEGB COc1ccc(C(=O)Cn2cc(CBr)c(=N)nc2C)cc1 6320366 MQOOPHVMWPGFQN-UHFFFAOYSA-N 350.216 2.457 50 40 FEGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3)CC2=O)c(C)c1 7928092 RJKPSQQLFVKYRM-INIZCTEOSA-N 351.406 2.118 50 40 FEGB Cc1occc1C(=O)NNC(=O)Cn1c(-c2cccs2)n[nH]c1=S 9647762 QJEMABXUZGYPRZ-UHFFFAOYSA-N 363.424 2.032 50 40 FEGB C/C(=N\NC(=O)Cc1nc2sc(C)c(C)c2c(=O)[nH]1)c1ccncc1 5696262 NJPHZPFJEKDGTD-UFFVCSGVSA-N 355.423 2.079 50 40 FEGB O=C(NNC(=S)NC(=O)c1cccc2ccccc12)c1ccncc1 32118874 DUVUPRAQZBUUED-UHFFFAOYSA-N 350.403 2.184 50 40 FEGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(Cl)nc3)ccc21 3369286 GJSXMCADGFOJBP-UHFFFAOYSA-N 357.801 2.488 50 40 FEGB Cc1cccc(C(=O)N[C@H](C(=O)NNC(=O)c2ccccc2)C(C)C)c1 2661022 GXQNIZVFEASRPD-KRWDZBQOSA-N 353.422 2.211 50 40 FEGB Cc1cccc(C)c1OCC(=O)NNC(=O)CN1CCCc2ccccc21 8029209 JZVCFPVOLLAPJV-UHFFFAOYSA-N 367.449 2.282 50 40 FEGB COC(=O)COc1ccc(/C=C(\C#N)C(N)=S)cc1Br 33746621 HFFGSCTYHUROLB-RUDMXATFSA-N 355.213 2.194 50 40 FEGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 6269141 HJRWDFZGDCBTER-CPNJWEJPSA-N 354.366 2.195 50 40 FEGB O=C(NNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C1CCCC1 47459329 SXJUBFJADCOFBH-UHFFFAOYSA-N 358.442 2.268 50 40 FEGB O=C(NNC(=O)c1ccccc1O)NC1CCN(c2ccc(F)cc2)CC1 54652730 FIVOLBSUXSASOU-UHFFFAOYSA-N 372.400 2.144 50 40 FEGB Cn1cc(Br)cc1C(=O)NNC(=O)C1(c2ccccc2)CC1 26604961 BIIGQTJQQSTKFP-UHFFFAOYSA-N 362.227 2.280 50 40 FEGB COc1cc(SC)ccc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 669895 GEFFHOIDNYAXOI-UHFFFAOYSA-N 361.379 2.400 50 40 FEGB CC[C@@H](NNC(=O)Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 8938359 NXEQUTUXNQVVES-GOSISDBHSA-N 364.449 2.426 50 40 FEGB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)c1C 1586117 XRZZDZHTUSLVPN-UHFFFAOYSA-N 372.834 2.453 50 40 FEGB O=C(N/N=C/c1cccc(O)c1)c1c(O)c2cccc3c2n(c1=O)CCC3 100912485 LLALHZWGNMTQDU-SRZZPIQSSA-N 363.373 2.123 50 40 FEGB CC[C@](C)(CC(=O)O)CC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 9317367 KZHWXFMEAZDFOP-SFHVURJKSA-N 358.398 2.119 50 40 FEGB Cc1c(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)sc2cccc(F)c12 8767820 NBFPFIGBUIJKEK-NSHDSACASA-N 370.471 2.455 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCC(=O)O 408750006 WCYBHMGBHHYNTB-KEBDBYFISA-N 372.377 2.240 50 40 FEGB Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 5581053 DDCJOPUYZCIDQZ-KBPBESRZSA-N 360.757 2.013 50 40 FEGB O=C(NNc1ccc(F)cc1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 40069335 AFLMUMSZKYKNDK-MRXNPFEDSA-N 363.414 2.122 50 40 FEGB CCCc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccco3)CC2=O)cc1 12985482 IDHIXDBOJLKZBT-AWEZNQCLSA-N 355.394 2.046 50 40 FEGB O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1ccncc1 19861388 QVILEVSFHKRABE-LPYMAVHISA-N 371.872 2.003 50 40 FEGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)N1CCOCC1 408764850 TWUKFOZMQYKSGE-XYOKQWHBSA-N 351.200 2.223 50 40 FEGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)NN=C1CCCC1 18191688 COLXIJHMVDIVCD-UHFFFAOYSA-N 372.450 2.323 50 40 FEGB CCOc1cc(/C=N/NC(=O)CCC(=O)NC2CCCCC2)ccc1O 5463815 FCVGGGFIOAUNJE-DEDYPNTBSA-N 361.442 2.470 50 40 FEGB C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)c1ccc(NC(=O)CC#N)cc1 8490115 PTYKCMMSULPQRQ-WFASDCNBSA-N 373.482 2.226 50 40 FEGB COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1OC 4775395 OAFYUAMBGUMJDK-VXLYETTFSA-N 373.365 2.450 50 40 FEGB C[C@@H](C(=O)NNC(=O)c1cccc(Cl)c1)n1nnc(-c2ccccc2)n1 72301291 AJWHETHSJMKQMU-NSHDSACASA-N 370.800 2.016 50 40 FEGB COc1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1 111992670 OSEAXCUOZSYCBU-HUXGKSLCSA-N 366.211 2.205 50 40 FEGB CCn1c(C)nc2cc(C(=O)N/N=C3/C(=O)N(C)c4ccccc43)ccc21 6179818 SELCUGDTDSLTHG-RELWKKBWSA-N 361.405 2.475 50 40 FEGB COc1cc(/C=N\NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1O 83312107 KQLWGVCPQMRYDU-GRSHGNNSSA-N 360.366 2.191 50 40 FEGB O=C(CN1CC[C@@H](CSc2ccccc2)C1)NNC(=O)c1ccco1 72305234 XLQDFZOFKYSLTH-CQSZACIVSA-N 359.451 2.155 50 40 FEGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(N2CCOCC2)cc1 1040512 SJGQKMUIJVQXHO-SFHVURJKSA-N 369.421 2.168 50 40 FEGB CCN(CC)c1ccc(/C=N/NC(=O)Cn2nnc3ccccc32)cc1 704754 NELGBXCTDOAUTP-DEDYPNTBSA-N 350.426 2.428 50 40 FEGB O=C(CSc1nc2ccccc2[nH]1)NNC(=O)c1ccc([N+](=O)[O-])cc1 7738199 ATMIUOCRMHFIME-UHFFFAOYSA-N 371.378 2.024 50 40 FEGB O=C(CSCCc1ccccc1)NNC(=O)c1ccc2c(c1)OCO2 12729264 KMUBLOZYONGVCI-UHFFFAOYSA-N 358.419 2.152 50 40 FEGB Cc1cc(C(=O)CCl)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 3394194 HJQSWTWQMZMPNO-UHFFFAOYSA-N 372.812 2.157 50 40 FEGB O=C(N/N=C/c1ccc(OC2CSC2)cc1)[C@H]1COc2ccccc2O1 59472941 XPPXKEJKSPKFSG-DZZWEGAPSA-N 370.430 2.471 50 40 FEGB COc1cc(SC)ccc1C(=O)NNC(=O)COc1ccccc1F 3613954 ZTOXPVDRJLENHJ-UHFFFAOYSA-N 364.398 2.396 50 40 FEGB N#Cc1ccc(N2CCC(C(=O)NNc3ccccc3[N+](=O)[O-])CC2)nc1 14217513 MGQUUDDKJQAOLP-UHFFFAOYSA-N 366.381 2.221 50 40 FEGB O=C(NNC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1 40023752 JAIDPIGJYGREFF-MRXNPFEDSA-N 366.421 2.392 50 40 FEGB CN1C(=O)/C(=N/NC(=O)c2cc(O)ccc2Br)c2ccccc21 9871642 QBEIGGMUBODXFN-NBVRZTHBSA-N 374.194 2.265 50 40 FEGB CC[C@H](O)CC(C(=O)NNc1ccccc1)C(=O)NNc1ccccc1 2187217 GGTVZZHSMUZWQY-INIZCTEOSA-N 356.426 2.050 50 40 FEGB C/C(=N\NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccccc1 20060286 ZFSIWRMPSPQPPT-XDJHFCHBSA-N 359.451 2.301 50 40 FEGB CCCc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccco3)CC2=O)cc1 12985483 IDHIXDBOJLKZBT-CQSZACIVSA-N 355.394 2.046 50 40 FEGB CN(C)c1ccc([C@@H]2C(C#N)=C(N)O[C@H]3NN=C(C(F)(F)F)[C@@H]32)cc1 227225586 HRYCYMTWOQECOC-TYNCELHUSA-N 351.332 2.024 50 40 FEGB Cc1nc2ccc(NC(=O)N[C@H]3CS(=O)(=O)C[C@@H]3Cl)cc2s1 575425487 ZJOKFYJPBCTIFK-ONGXEEELSA-N 359.860 2.131 50 40 FEGB CSc1ncc(C(=O)NNC(=O)c2ccco2)n1-c1ccc(F)cc1 12549587 SGWYSNLCTXRZTA-UHFFFAOYSA-N 360.370 2.401 50 40 FEGB O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)N1CCCCC1 58914487 DQDLCXMPBWDZAN-UNOMPAQXSA-N 370.365 2.317 50 40 FEGB COc1ccc(-c2nnc(SCC(=O)/C(C#N)=C(/C)N)o2)cc1OC 104708343 TXVDUYMZKXYMEM-LUAWRHEFSA-N 360.395 2.171 50 40 FEGB C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)C[C@@H](OC(=O)CC(C)C)[C@@H]12 100069850 XZPCFZLGAZNCOI-DWLBETDHSA-N 362.422 2.270 50 40 FEGB biogenic,in-vitro CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(N)=O)cc1 4205416 KBWBYBMILUXVKP-SDNWHVSQSA-N 360.373 2.441 50 40 FEGB CCOc1ccccc1OCC(=O)N/N=C/c1cc(OC)c(O)c(OC)c1 5467279 DPQNHNWTTKPINU-RGVLZGJSSA-N 374.393 2.337 50 40 FEGB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)c1ccc(F)cc1 8735456 OIEQBYAGRQJFLW-MRXNPFEDSA-N 363.433 2.308 50 40 FEGB CCOC(=O)/C(=C/NNC(=O)c1ccc(OC)cc1)C(=O)c1ccccc1 408891712 BWAOPFIJXFANGC-GHRIWEEISA-N 368.389 2.260 50 40 FEGB O=C(O)[C@H](Br)[C@@H](Br)C(=O)Nc1ccccc1 1688862 LDRRHBOONXUHLL-HTQZYQBOSA-N 350.994 2.237 50 40 FEGB CNC(=O)/C(C#N)=C/c1c(Oc2ccccc2F)nc2ccccn2c1=O 2418829 DXVSYKYPRJFZGM-ZRDIBKRKSA-N 364.336 2.279 50 40 FEGB CCOC(=O)C(CC(=O)C(C)(C)C)=NNC(=O)c1ccc(N(C)C)cc1 408949135 DUIXXSISNOCUDY-UHFFFAOYSA-N 361.442 2.407 50 40 FEGB COc1ccccc1C(=O)N/N=C/c1ccc(N2CCOCC2)c(F)c1 409148139 ORNBENURUYSMRO-FYJGNVAPSA-N 357.385 2.435 50 40 FEGB CCOC(=O)COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC 6954872 XQFYBICPVRKILP-RGVLZGJSSA-N 372.377 2.107 50 40 FEGB O=C(NN=C1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccs1 1403815 FWJSLDOMLFVPPI-UHFFFAOYSA-N 363.464 2.319 50 40 FEGB COc1ccc([C@@H]2C(C#N)=C(S)N[C@](C)(O)[C@@H]2[n+]2ccccc2)cc1 27112921 KXEKURHMFVUHNN-ZHALLVOQSA-O 354.455 2.284 50 40 FEGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cccc(F)c1 409228802 FLHZMRAFEDKHOF-FYJGNVAPSA-N 357.385 2.435 50 40 FEGB COc1cc(C(=O)NNC(=S)NC2CCCCC2)cc(OC)c1OC 2582203 UHXBARJHMJPFMB-UHFFFAOYSA-N 367.471 2.154 50 40 FEGB COc1ccc(CCC(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1 6033349 IBINFGAQZJVGPC-UHFFFAOYSA-N 356.422 2.471 50 40 FEGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)OC)cc2)cc1 20763810 RQTILFGBMWFZSJ-UDWIEESQSA-N 356.378 2.401 50 40 FEGB Cc1nc2ccccn2c1C(=O)NNC(=O)Cc1cccc2cccnc12 40051592 YYFNBGYTHNGPLH-UHFFFAOYSA-N 359.389 2.195 50 40 FEGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cccc(F)c2)cc1 223156401 UXRCQMVRQLJZNX-JAIQZWGSSA-N 357.341 2.091 50 40 FEGB CCS(=O)(=O)[C@H](I)[C@@H](O)c1ccc(F)cc1 96519270 JFBIXKUAHKJQOA-UWVGGRQHSA-N 358.172 2.055 50 40 FEGB Cc1nn(C[C@H](C)C(=O)N/N=C/c2ccc(F)s2)c(C)c1[N+](=O)[O-] 252504803 VLVOZUFIDJTJPP-IYRRMDOYSA-N 353.379 2.395 50 40 FEGB CC1=NN(c2ccc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 40128073 MHVRBVSKLIXILF-UHFFFAOYSA-N 367.365 2.256 50 40 FEGB CCOc1ccc([C@@H]2CC(=O)N3CN(CCO)CSC3=C2C#N)cc1 20347978 VYNDJEOJXCAFCG-HNNXBMFYSA-N 359.451 2.092 50 40 FEGB O=C(NNC(=S)NC[C@@H]1CCCO1)Nc1ccc(Br)cc1 9189550 MDLGTRPJHJBRBH-NSHDSACASA-N 373.276 2.129 50 40 FEGB Cc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 100118442 VVBLZLULZAXURE-OAHLLOKOSA-N 357.797 2.215 50 40 FEGB CN(C)S(=O)(=O)c1cccc(C(=O)N/N=C2/CCCc3ccccc32)c1 38635863 NNQIJGYIPFGWJB-ZZEZOPTASA-N 371.462 2.407 50 40 FEGB C[C@H]1CCc2sc(C(=O)NNC(=S)NC[C@H]3CCCO3)cc2C1 6337008 QENOPVAFJXPJCY-CMPLNLGQSA-N 353.513 2.161 50 40 FEGB CC(=O)N1CCC(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)CC1 14202003 SODUTYZUERAMOJ-UHFFFAOYSA-N 363.483 2.037 50 40 FEGB C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)c1ccc(NC(=O)CC#N)cc1 8489126 PTYKCMMSULPQRQ-IUODEOHRSA-N 373.482 2.226 50 40 FEGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)O 408788294 CCCLMAWNMQSMHS-MDWZMJQESA-N 368.345 2.410 50 40 FEGB COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc(OC)c1OC 5176391 YCVJEOCCYPWTQT-RGVLZGJSSA-N 371.393 2.435 50 40 FEGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccoc3)[C@@H]2C1 808886 GENDJRCKLXMDKL-CVEARBPZSA-N 363.377 2.161 50 40 FEGB CC[C@@H](Br)C(=O)NNC(=O)c1ccc(Br)cc1 3160161 HRZYGFFGQLZLEH-SECBINFHSA-N 364.037 2.384 50 40 FEGB NC(=O)NC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102139284 VUDLFZFYBBITEI-UHFFFAOYSA-O 363.377 2.175 50 40 FEGB Cc1cc(C)nc(NNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)n1 12553843 VQQFELLEWWGAJN-GFCCVEGCSA-N 359.817 2.243 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)cc(OC)c1OC 13635481 WWZSKEQJIXBRIH-ZVBGSRNCSA-N 354.366 2.353 50 40 FEGB CN1C(=O)[C@]2(C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)c2ccccc21 4626021 FAFCVSGYLBGBAH-NRFANRHFSA-N 369.384 2.425 50 40 FEGB CCOc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)cc(Br)c1O 6691039 JIQFCICJTKQXHK-FRKPEAEDSA-N 367.203 2.349 50 40 FEGB N#C/C(=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)C(=O)NC(N)=O 409221599 SQWIAGPRPKWFKN-ZSOIEALJSA-N 366.333 2.276 50 40 FEGB CCn1ncc(/C=N/NC(=O)c2cc(-c3ccc(OC)cc3)on2)c1F 252495554 OTHYJOOAFMQWKD-DJKKODMXSA-N 357.345 2.470 50 40 FEGB C/C(=N\NC(=O)CNC(=O)c1ccco1)c1ccc(Br)cc1 14920201 VEZDNYWGYSGSTE-VCHYOVAHSA-N 364.199 2.312 50 40 FEGB COC(=O)Cn1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c2ccccc21 9704015 MNIGMBDNGHTLRY-QGZVFWFLSA-N 363.377 2.064 50 40 FEGB COc1cc2c(cc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-])OCO2 108270198 PKPKEKRBSAYRLN-NVMNQCDNSA-N 357.322 2.025 50 40 FEGB COc1ccc(Cl)cc1N(C(=O)CCl)[C@H]1CCS(=O)(=O)C1 40177621 QDABGCPLMGRTDU-JTQLQIEISA-N 352.239 2.108 50 40 FEGB Cn1nc(C(=O)NNC(=O)c2cccc3ccccc23)c2ccccc2c1=O 12875834 VHZRDKAJNOXVEH-UHFFFAOYSA-N 372.384 2.162 50 40 FEGB Cn1c(CC(=O)NNC(=O)CCCOc2ccccc2)nc2ccccc21 6382784 MSQFHRUKNIMMFY-UHFFFAOYSA-N 366.421 2.122 50 40 FEGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(S(=O)(=O)O)o1 23410948 XWDYRFPJKURSGS-VXLYETTFSA-N 373.390 2.242 50 40 FEGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)CC(=O)N1 6326377 KXOIRORHYGGCIK-CYBMUJFWSA-N 374.418 2.108 50 40 FEGB C=CCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(OCC)cc2)c1C 58911436 SOOPUPGZJVRGTJ-LPYMAVHISA-N 368.437 2.245 50 40 FEGB CC(C)CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1 20244092 YRJMVTQOEIDUGH-SRZZPIQSSA-N 357.410 2.471 50 40 FEGB CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1O[C@H](C)C(=O)O 4681538 KFESGQWFYSDPCJ-ZICWZVMQSA-N 372.377 2.407 50 40 FEGB NC(=O)N/N=C1\C(=O)N(CCOc2ccccc2Cl)c2ccccc21 46084834 JTBYNMNHFQJDGA-HKWRFOASSA-N 358.785 2.138 50 40 FEGB CCCCCCCNC(=O)CCC(=O)NNC(=O)c1ccc(OC)cc1 98045222 KJHTWRNHAZAHLQ-UHFFFAOYSA-N 363.458 2.323 50 40 FEGB COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc(Cl)c1O 2342250 NPRBLARUVZJXFB-UZSVJVCZSA-N 362.769 2.344 50 40 FEGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC)cc3)[C@H]2C1 4786314 JPLYJWOJPPJXTE-OALUTQOASA-N 359.433 2.440 50 40 FEGB Cc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)c(C)c1 7379669 VXJHQETVMJPLMI-UHFFFAOYSA-N 350.465 2.477 50 40 FEGB Cc1cccc(NC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1C 15933852 YEPRFCYZAGDDIX-UHFFFAOYSA-N 358.354 2.443 50 40 FEGB COc1cccc(/C=N/NC(=O)Cc2ccccc2)c1O[C@H](C)C(=O)O 409240487 PZVZJEXXVAWZRW-HMHKGCENSA-N 356.378 2.240 50 40 FEGB O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])s1 3136695 LLGOTKJJQUFOTJ-REZTVBANSA-N 366.786 2.190 50 40 FEGB NC(=O)N/N=C1/C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21 100756207 GUSMGPOMUCXGNM-HMMYKYKNSA-N 358.785 2.138 50 40 FEGB Cc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1ccoc1C 7420158 SAYBRSKEFUMANB-UHFFFAOYSA-N 373.228 2.282 50 40 FEGB Cc1ccccc1N1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O 408643005 QLTLISPAQABWBD-AWEZNQCLSA-N 371.824 2.463 50 40 FEGB CCOC(=O)/C=C1\CCCCCN1C(=O)CI 96528480 ACUPNUBMTIKHSX-CSKARUKUSA-N 351.184 2.271 50 40 FEGB O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1ccccc1 12846533 FPBQIDJQYCAICJ-CQSZACIVSA-N 357.435 2.062 50 40 FEGB O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccncc2)cc1)c1ccncc1 826701 JNYQEQUWGHEYNJ-RNIAWFEPSA-N 372.388 2.004 50 40 FEGB N[C@@H](CCC(=O)Nc1ccc(N(CCCl)CCCl)cc1)C(=O)O 1763344 DQWJBOSCWQUFRX-ZDUSSCGKSA-N 362.257 2.101 50 40 FEGB COc1ccc(-c2cc(C(=O)NN)nn2-c2ccccc2C)c(OC)c1 59472517 NDNCZPYXKYDGPS-UHFFFAOYSA-N 352.394 2.468 50 40 FEGB N#C/C(=C/c1cn(CC(N)=O)c2ccccc12)C(=O)NC1CCCCC1 59535123 TXDIBFLXMJRTLQ-UVTDQMKNSA-N 350.422 2.482 50 40 FEGB CN(c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1)S(C)(=O)=O 409144562 OMECMABHTWHTTA-WOJGMQOQSA-N 365.842 2.500 50 40 FEGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 5712838 VUWVITPMDCSIKJ-SDNWHVSQSA-N 371.418 2.278 50 40 FEGB Cc1cccc(N(CC(=O)N/N=C/c2sccc2C)S(C)(=O)=O)c1 20207835 BTMCDGNVFHDXIL-LICLKQGHSA-N 365.480 2.281 50 40 FEGB CCOc1ccc(C(=O)N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1 37154162 LKMINTJOQZJINZ-VCHYOVAHSA-N 359.338 2.472 50 40 FEGB O=C(O)c1ccc(N[C@H]2SC(=O)N(CCBr)C2=O)cc1 12113054 JODIQDWZYIFBFW-VIFPVBQESA-N 359.201 2.213 50 40 FEGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2cccnc2)c(OC)c1 100522946 SRGUHUASYSMVNS-CIAFOILYSA-N 356.382 2.233 50 40 FEGB O=C(NNC(=O)c1ccccn1)c1ccc(NC(=O)c2cccs2)cc1 14166375 IOJVISOKCFYEPA-UHFFFAOYSA-N 366.402 2.470 50 40 FEGB C/C(=N/NC(=O)CC#N)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 18255017 QZWJELMLSRFEPV-ZHZXDZLESA-N 352.394 2.120 50 40 FEGB COc1ccc(N(CC(=O)NN=C2CCCCCC2)S(C)(=O)=O)cc1 408868761 BEFQCOOSRRSILM-UHFFFAOYSA-N 367.471 2.288 50 40 FEGB CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 5521553 IWUZBHKQTZJZBT-CLWVCHIJSA-N 356.422 2.268 50 40 FEGB CCOC(=O)/C(CC(=O)c1ccc(C)cc1)=N\NC(=O)c1ccc(N)cc1 5322331 QRLNYKLTFFITMD-XLNRJJMWSA-N 367.405 2.499 50 40 FEGB C/C(CC(=O)Nc1cccnc1)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1 12362372 LFGPZAMRUWHMLJ-UDWIEESQSA-N 355.354 2.053 50 40 FEGB CC(C)=C(NC(=O)c1ccccc1)C(=O)N/N=C/c1ccc(O)cc1O 4855226 LWCLKMNGYFVXSB-RGVLZGJSSA-N 353.378 2.272 50 40 FEGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(C)c2)cc1 7994813 GMDFXAMMODIGCE-XDHOZWIPSA-N 359.451 2.074 50 40 FEGB N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)NC[C@@H]1CCCO1 1462480 RCSYYYXFQRUMBT-BCMYLCSRSA-N 351.200 2.357 50 40 FEGB Cc1cc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c2ccccc2n1 26975514 NMLGVBZVMJPEDM-GOSISDBHSA-N 363.373 2.144 50 40 FEGB CC(C)(C)NC(=S)NNC(=O)COc1cccc2c1OC(C)(C)C2 4666877 XPRVASARNUDCFY-UHFFFAOYSA-N 351.472 2.073 50 40 FEGB CC1(CC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)SCCS1 409259107 WOHOZCGMYRFYJQ-CXUHLZMHSA-N 354.453 2.186 50 40 FEGB CCN(CC)c1ccc(/C=N\NC(=O)Cn2nnc3ccccc32)c(O)c1 5128434 QPKTYNQGTIYCMF-NDENLUEZSA-N 366.425 2.133 50 40 FEGB O=[P@](OC[C@@H](O)CO)(Oc1ccccc1)N(CCCl)CCCl 1717216 HBYCFRYSXHQVKA-AMXDTQDGSA-N 372.185 2.323 50 40 FEGB Cc1ccc(C(=O)NNC(=O)[C@H]2CCCN2C(=O)c2cccs2)c(C)c1 14251220 XNUBQVVBENXXPL-OAHLLOKOSA-N 371.462 2.431 50 40 FEGB O=C(NNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 5569511 ZEUSDGKFXPQLOK-UHFFFAOYSA-N 364.701 2.231 50 40 FEGB Cc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1C 7383655 PCEXGIAUSNAALH-CYBMUJFWSA-N 366.414 2.220 50 40 FEGB COc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408685632 POTCKRLTYBVZBJ-TVQXOTEMSA-N 366.211 2.205 50 40 FEGB O=C(N/N=C/c1cccc(OC2CSC2)c1)[C@@H]1COc2ccccc2O1 4677197 PXCHPPYZMHFLOT-VTTDFXIBSA-N 370.430 2.471 50 40 FEGB O=[P@](OC[C@H](O)CO)(Oc1ccccc1)N(CCCl)CCCl 1717214 HBYCFRYSXHQVKA-VERVWZFWSA-N 372.185 2.323 50 40 FEGB CCCOc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 3294084 NFLPKHHGXVMAOS-KRWDZBQOSA-N 356.378 2.076 50 40 FEGB O=C(CNC(=O)c1ccccc1Br)N/N=C\c1ccccc1 32923250 XZOUOJWXBFTZBR-GRSHGNNSSA-N 360.211 2.329 50 40 FEGB O=C(CCc1ccccc1)NN[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 101687226 HSNKRHQQWYNDFG-INIZCTEOSA-N 371.824 2.226 50 40 FEGB Cc1ccccc1N1C[C@@H](C(=O)NNC(=O)c2ccccc2Cl)CC1=O 408642959 QAINNGXGUROEPL-ZDUSSCGKSA-N 371.824 2.463 50 40 FEGB C/C(=N\NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccccc1 408770812 AWOOKJAZJXIFCC-CPNJWEJPSA-N 363.414 2.132 50 40 FEGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1ccccc1 19954498 KLOBNTLCTOQWPU-XDJHFCHBSA-N 359.451 2.301 50 40 FEGB O=C(NNS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1F 7428860 RCIVRYLPIIXIEX-UHFFFAOYSA-N 362.304 2.468 50 40 FEGB COc1ccc(OC)c(-c2cc(C(=O)NN)nn2-c2ccc(C)cc2)c1 59472520 VDUYJPADOJPGKM-UHFFFAOYSA-N 352.394 2.468 50 40 FEGB O=C(Cc1ccc(Cl)cc1)NNC(=O)c1nn(-c2ccccc2)cc1O 10159056 XZBGZJKXCFVEHF-UHFFFAOYSA-N 370.796 2.235 50 40 FEGB COc1ccc(C=NNC(=O)[C@@H](C)n2cnc3ccccc3c2=O)cc1 12082254 UYDJUPWHHSMNJR-CYBMUJFWSA-N 350.378 2.116 50 40 FEGB COc1ccc(CC(=O)N/N=C(\C)CC(=O)NCc2ccco2)cc1OC 18093660 PCMKNTLWJTZZJV-FYJGNVAPSA-N 373.409 2.038 50 40 FEGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1ccc([N+](=O)[O-])cc1 408972865 GWNILLCWSBGSHB-MBTVCVBTSA-N 366.377 2.061 50 40 FEGB N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)NC(N)=O 409236256 FUZDADWNPOVLQW-DHDCSXOGSA-N 365.345 2.066 50 40 FEGB O=C(NNC(=O)c1cccnc1)c1ccc(COCC(F)(F)F)cc1 14221517 KEVPECOUQPVSTA-UHFFFAOYSA-N 353.300 2.235 50 40 FEGB CC(C)NC(=O)/C(C#N)=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 408846293 JGVXUGZVARBPKR-UVTDQMKNSA-N 373.434 2.190 50 40 FEGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccccc3O)CC2=O)cc1 6962997 NRWOBJXLSYHDDI-NGZBARDMSA-N 367.405 2.294 50 40 FEGB O=C(CSc1nnc(-c2ccc(F)cc2)o1)NNC(=O)c1ccccc1 8290150 BCBDYVKXAWEASA-UHFFFAOYSA-N 372.381 2.429 50 40 FEGB COCC1=C(C(=O)OC)[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O1 4189076 ATGRANRHFWYYCG-LBPRGKRZSA-N 352.749 2.360 50 40 FEGB O=C(COC(=O)c1cc2c(F)cccc2s1)NNC(=O)c1ccco1 7250720 NFYXEFDEIXJHLK-UHFFFAOYSA-N 362.338 2.251 50 40 FEGB CC1(CC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)OCCO1 408728707 RRJKRIMUHOGPKR-YBFXNURJSA-N 358.350 2.248 50 40 FEGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1c(Cl)c(C(F)(F)F)nn1C 252502983 UWJAJEBRMBZMAX-JJPRUIFNSA-N 366.706 2.037 50 40 FEGB O=C(CCc1c[nH]c2ccccc12)NNC(=O)COc1ccccc1F 5273049 UDUQLSTZGMNEFZ-UHFFFAOYSA-N 355.369 2.466 50 40 FEGB Cc1ccc(C(=O)NNC(=O)Cc2csc(NC(=O)C(C)C)n2)c(C)c1 40140328 LZNJYZDXKWLEOM-UHFFFAOYSA-N 374.466 2.358 50 40 FEGB COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2cccs2)cc1 2316388 WIZLNTLMXHHOKH-RMKNXTFCSA-N 361.448 2.106 50 40 FEGB Cc1cc(/C=N/NC(=O)C(N)=O)c(C)n1-c1ccc(Cl)cc1Cl 408936920 IUPGVOJVBLCECV-FBCYGCLPSA-N 353.209 2.336 50 40 FEGB CCS(=O)(=O)[C@H](I)C(=O)c1ccc(F)cc1 96517961 UHRUKTWDDMDTBU-JTQLQIEISA-N 356.156 2.204 50 40 FEGB CCOC(=O)Cc1[nH]nc2c1[C@H](c1cccc(F)c1F)C(C#N)=C(N)O2 803859 RVYPMHGXUXWTMQ-CYBMUJFWSA-N 360.320 2.012 50 40 FEGB CC(C)Oc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1 7784417 SZIJTXIPYRVXHM-HYARGMPZSA-N 353.422 2.283 50 40 FEGB CCc1ccc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 6788825 URMREVDVAMZLFI-UHFFFAOYSA-N 357.435 2.364 50 40 FEGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1 408995685 DGBDAVYLNRYUDX-CPNJWEJPSA-N 354.366 2.195 50 40 FEGB O=C(NNc1nc(-c2ccccc2)no1)[C@@H]1Cc2cc(F)ccc2NC1=O 1543782739 SPJNKZHMVGQGPJ-CYBMUJFWSA-N 367.340 2.130 50 40 FEGB CC(C)N1C(=O)/C(=N/NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 100085892 LFWSKCUVXANQCT-STIUTOJCSA-N 365.389 2.102 50 40 FEGB CC(C)Nc1nc(Cl)nc(NNC(=O)[C@H](C)Oc2ccccc2)n1 857317 AAWWPMWEAAMDLI-JTQLQIEISA-N 350.810 2.256 50 40 FEGB COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(Cl)c1O 1098742 HUFUPNFWYPVXQO-UFWORHAWSA-N 362.769 2.476 50 40 FEGB COc1ccc(CC(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)cc1OC 4671939 NTHZPCOSTJLXCC-UHFFFAOYSA-N 372.343 2.437 50 40 FEGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccccc1OC 409256419 OLJNPNWHYOSZGY-XDHOZWIPSA-N 353.334 2.379 50 40 FEGB C/C(=N\OCC(=O)NNC(=O)C1CCC1)c1ccc(Br)s1 585079474 JRYPOUYXHYVYJK-CAOOACKPSA-N 374.260 2.199 50 40 FEGB Cc1ccccc1OCC(=O)NCC(=O)N/N=C/C=C/c1ccccc1 2121869 OYGBVUCYCIZDKL-AIDHTSIMSA-N 351.406 2.305 50 40 FEGB COC(=O)COc1ccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc1 831107 ORKKOVMCFCXSAV-BAOGCXAUSA-N 356.378 2.076 50 40 FEGB CCCN1C(=O)/C(=N\NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 18227731 FDJGOMSGVVWGIJ-MNDPQUGUSA-N 352.350 2.486 50 40 FEGB O=C(CCNC(=O)c1ccccc1Br)N/N=C/c1ccco1 2675862 MIGCZUACYVYXRW-VCHYOVAHSA-N 364.199 2.312 50 40 FEGB C/C(=N\NC(=O)CNC(=O)c1ccccc1Br)c1ccco1 5032916 RWUPQLMNNIBCNG-VCHYOVAHSA-N 364.199 2.312 50 40 FEGB O=C(O)CCCC(=O)NNC(=O)COc1ccccc1-c1ccccc1 12137213 FEBMYLNTAVWDMO-UHFFFAOYSA-N 356.378 2.135 50 40 FEGB CCc1cc2c(=O)n(CC(=O)N/N=C\c3cccc(OC)c3)cnc2s1 31783518 KVFAUEKVGZCBKN-UKWGHVSLSA-N 370.434 2.179 50 40 FEGB Cc1ccccc1OCCCN1C(=O)/C(=N\NC(N)=O)c2ccccc21 46085176 CNWTYDZKOGGYDE-FXBPSFAMSA-N 352.394 2.183 50 40 FEGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccc(OC)cc1OC 107712463 UPUHWUGZPPOMMA-FYJGNVAPSA-N 368.389 2.488 50 40 FEGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2C)[C@H](C#N)C(=O)N1 2293709 IBBIGCIHYJLWSJ-BBRMVZONSA-N 355.419 2.380 50 40 FEGB O=C(Cc1nnc(NC(=O)CCl)s1)N/N=C/c1ccccc1Cl 6473565 BGYGYBLRPKIYHR-FRKPEAEDSA-N 372.237 2.062 50 40 FEGB O=C(CCNC(=O)c1ccccc1Cl)NNC(=O)c1ccccc1F 3373241 GNHJLCVHVIITGH-UHFFFAOYSA-N 363.776 2.060 50 40 FEGB N#CC(=C/c1ccco1)/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCO2 48461643 LROTVTARQBCLHB-FLIBITNWSA-N 360.347 2.303 50 40 FEGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(N)=O)cc2)cc1 408761837 HYAUILOOHSSPJR-GXDHUFHOSA-N 351.362 2.105 50 40 FEGB C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 4860549 OWTAEOJBWRXLRX-XENGFHBVSA-N 354.362 2.159 50 40 FEGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccoc2)sc(C(N)=O)c1C 6825038 KZFNMNISOILHLK-BJMVGYQFSA-N 359.363 2.081 50 40 FEGB C[C@@H](c1ccccc1)N1C[C@H](C(=O)NNC(=O)c2ccccc2)CC1=O 120086316 SDGHSHMXKRDFJH-WMLDXEAASA-N 351.406 2.057 50 40 FEGB COc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1Br 5880238 WHLRJRJWAPTESW-UHFFFAOYSA-N 363.211 2.461 50 40 FEGB CCCNC(=S)NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C 17076340 UERMRLBFHMCHFE-UHFFFAOYSA-N 372.498 2.242 50 40 FEGB C=CCOc1cccc(/C=N/NC(=O)CC(=O)NCCc2ccccc2)c1 5377449 YHIWOCQFGHJZIC-XQNSMLJCSA-N 365.433 2.451 50 40 FEGB O=C(NNC(=S)Nc1ccc(Br)cc1)c1cccnc1 862671 XDWYJLMPXIGSED-UHFFFAOYSA-N 351.229 2.476 50 40 FEGB COc1ccc(CCNC(=O)NNC(=O)Nc2ccccc2)cc1OC 12988681 BRXOGMMRRQTHQZ-UHFFFAOYSA-N 358.398 2.282 50 40 FEGB O=C(NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(F)cc1 5031982 IXRUHKBVDMDINP-CABCVRRESA-N 357.410 2.265 50 40 FEGB COc1cc(OC)c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(OC)c1 33499817 CFQJCSFHIPELIE-ODLFYWEKSA-N 373.365 2.313 50 40 FEGB CCOc1c(I)cc(/C=C(\C#N)C(N)=O)cc1OC 3242711 ZOABTDYVSADZGK-RUDMXATFSA-N 372.162 2.091 50 40 FEGB Cc1csc([C@H]2C(=O)NC(SCC(N)=O)=C(C#N)C23CCCC3)n1 9498614 KQPDZEGKTURVJD-GFCCVEGCSA-N 362.480 2.179 50 40 FEGB CCn1c(NNC(=O)[C@]2(C)CC2(Cl)Cl)nc2ccccc2c1=O 32904529 OCWCXGYECXPOAW-AWEZNQCLSA-N 355.225 2.443 50 40 FEGB Cc1csc([C@@](O)(CC(=O)NNC(=O)c2ccccc2)C(F)(F)F)n1 58413336 WZNUSBLSDIGWIY-AWEZNQCLSA-N 373.356 2.053 50 40 FEGB CC(=O)NNC(=O)CSc1nnc2c(C)cc3cc(C)c(C)cc3n12 1223252 JHYHCFALLFVVFA-UHFFFAOYSA-N 357.439 2.067 50 40 FEGB Cc1cccc(C(=O)NC(=S)NNC(=O)COc2c(C)cccc2C)c1 2136043 ZVLNRKYQNKQIIH-UHFFFAOYSA-N 371.462 2.326 50 40 FEGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NC(C)C)cc1OC 408779468 FGHKZUADZVFSCT-XGICHPGQSA-N 366.801 2.332 50 40 FEGB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 408999248 UEVPODNUUMUDPJ-LICLKQGHSA-N 357.326 2.333 50 40 FEGB COc1ccc(Br)cc1/C=N/NC(=O)Cn1nc(C)cc1C 3314169 OWEUIXJAEMCRLZ-CAOOACKPSA-N 365.231 2.421 50 40 FEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 169879819 AWUCMNWTOZZHTL-RQZCQDPDSA-N 374.309 2.284 50 40 FEGB O=C(N/N=C\c1ccc(I)o1)c1ccccc1O 4579512 QCZOCHLILJABER-AUWJEWJLSA-N 356.119 2.354 50 40 FEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccs1)c1ccccc1Cl 20209264 WJQGAULWQQWRBZ-CXUHLZMHSA-N 371.871 2.318 50 40 FEGB O=C(NNC(=O)C1CCCC1)c1cccc(I)c1 2755499 PBZVPGGHZGBCCV-UHFFFAOYSA-N 358.179 2.242 50 40 FEGB CCCCc1[nH]nc2c1[C@]1(C(=O)N(CC)c3ccccc31)C(C#N)=C(N)O2 5075235 FICOBMFPLIKODX-HXUWFJFHSA-N 363.421 2.491 50 40 FEGB Cn1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c2ccccc21 4675218 VFBQJZHWOWBGJU-ZVBGSRNCSA-N 350.378 2.469 50 40 FEGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2OCC(=O)O)cc1 408814640 GEEQSAYTGFEVSZ-YBEGLDIGSA-N 366.373 2.382 50 40 FEGB Cn1c(SCC(=O)N/N=C/c2ccc(O)cc2)nnc1-c1ccccc1 2313613 OQFVULXVSDTXJU-YBFXNURJSA-N 367.434 2.430 50 40 FEGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N\NC(=O)c1ccc(C#N)cc1F 15013609 SETMOVWVQOKREO-OLIBUNOHSA-N 363.352 2.452 50 40 FEGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1 28213581 QLZPOJPXJXOSMR-UFFVCSGVSA-N 371.462 2.243 50 40 FEGB CC(C)NC(=O)/C(C#N)=C/c1ccc(O)c(I)c1 4506801 SUVPASNJHQSBKC-BJMVGYQFSA-N 356.163 2.428 50 40 FEGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1 408607171 CEDMUXZXRFNMSS-WSDLNYQXSA-N 357.385 2.381 50 40 FEGB COc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 18191723 QYFRMENRUPNLRS-KGENOOAVSA-N 353.422 2.291 50 40 FEGB CCOc1cc2c(cc1/C=N/NC(=O)COc1ccc(OC)cc1)OCO2 409105826 KYHXTXDFXFBQBR-KEBDBYFISA-N 372.377 2.352 50 40 FEGB O=C(Nc1ccc(F)cc1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408679099 CEVJTXPESYSOKK-DZDPUUJWSA-N 354.175 2.335 50 40 FEGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)CN2CCCc3ccccc32)c1C 21778265 JHGIKAVAMUEILW-UHFFFAOYSA-N 368.437 2.048 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1OC 3092257 SWNUVHHALWQLCB-HMHKGCENSA-N 355.394 2.031 50 40 FEGB CC(C)=NNC(=O)c1sc(NS(=O)(=O)c2ccccc2)nc1C 16887137 HUSAWSCURNFTHM-UHFFFAOYSA-N 352.441 2.378 50 40 FEGB CCn1c(O)c(C(=O)NNC(=O)c2ccc(C)cc2)c(=O)c2ccccc21 5432352 YPILCNVXMTYSIS-UHFFFAOYSA-N 365.389 2.110 50 40 FEGB CC(=O)N/N=C/c1cc(Br)c(I)o1 59105231 XXZWOJAVAXYLIQ-XCVCLJGOSA-N 356.945 2.117 50 40 FEGB Cc1cc(C(=O)NNC(=O)COc2ccc(Br)cc2)c(C)o1 3411255 NDONJODDSHVRBT-UHFFFAOYSA-N 367.199 2.499 50 40 FEGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NC(N)=O 409247073 BPNQZKNAAWQFEO-ZROIWOOFSA-N 366.333 2.276 50 40 FEGB O=C(N[C@@H]1CCS(=O)(=O)C1)NN(Cc1ccccc1)c1ccccc1 42869558 YXNPOKTYKMIPIN-MRXNPFEDSA-N 359.451 2.095 50 40 FEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1 59459662 PUVRQKWRTQLXBT-RGVLZGJSSA-N 367.361 2.069 50 40 FEGB COCCn1c(C)cc2c(c1=O)[C@@H](c1cccc(OC)c1)C(C#N)=C(N)O2 2441025 LGDGPHOVWPJIFE-KRWDZBQOSA-N 367.405 2.030 50 40 FEGB O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccc([N+](=O)[O-])c1 4588511 GNJNCKHIMUOSHZ-UHFFFAOYSA-N 364.701 2.231 50 40 FEGB C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4ccco4)c(=O)c23)C1 948543 KRARQLDTQDJRIA-FEQLDZPWSA-N 370.434 2.326 50 40 FEGB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(C)(C)CCl 5339404 FPTRZDXMDYCARG-UHFFFAOYSA-N 360.863 2.439 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c(OC)c1 2055543 YRPDTKXNPDJRAL-HMHKGCENSA-N 355.394 2.031 50 40 FEGB CCOc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1ccccc1C 13747216 KOERQMDPDGYSSE-SRZZPIQSSA-N 370.409 2.413 50 40 FEGB COc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 1435602 ZAYLTSOSIHZRIT-VCHYOVAHSA-N 357.322 2.139 50 40 FEGB Cc1nc2n(C)c3ccccc3n2c1C(=O)N/N=C1/C(=O)Nc2ccccc21 6309100 CPUFZXSHTJIIQG-UHFFFAOYSA-N 372.388 2.221 50 40 FEGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(Br)o1 408728453 MPNZPDBOFXBAGX-FRKPEAEDSA-N 351.156 2.464 50 40 FEGB O=C(NC[C@H]1CCCO1)N/N=C1/C(=O)Nc2ccc(-c3ccccc3)cc21 84562752 UDVMFAMITWEQEZ-OAHLLOKOSA-N 364.405 2.488 50 40 FEGB C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])C1C(=O)c2ccccc2C1=O 100505459 OZUDHOPZHXVBIA-VXLYETTFSA-N 351.318 2.396 50 40 FEGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc2c1OCCO2 58427191 ZJQBZKFYNWHBQL-UHFFFAOYSA-N 362.769 2.195 50 40 FEGB O=C(NNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 226862484 WNOUBVDBPBHCOS-UHFFFAOYSA-N 373.749 2.011 50 40 FEGB C[C@H](Sc1nnc(-c2ccncc2)o1)C(=O)N/N=C/c1ccccc1O 16322185 NYPDOVDXHZLJMU-VSMYLPJWSA-N 369.406 2.468 50 40 FEGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCc1ccccc1 5380888 BKIUBTMPPUOSNN-CIAFOILYSA-N 369.421 2.249 50 40 FEGB COc1ccc(CC(=O)NNC(=O)c2cc3cc(C)ccc3n2C)cc1 9668430 DJIXQNVHNMKDAH-UHFFFAOYSA-N 351.406 2.499 50 40 FEGB O=C(Oc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 7929162 AWIKPMBGRFPQTG-NSHDSACASA-N 371.305 2.462 50 40 FEGB COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)COc2ccc(C)cc2C)c1O 13955359 AGBSBTKYBSXPIY-OCKHKDLRSA-N 373.365 2.455 50 40 FEGB C[C@@H]1CCC[C@H](N2C[C@H](C(=O)NNC(=O)c3cccs3)CC2=O)[C@@H]1C 9449305 XNJHIJIQMFUKIO-SYQHCUMBSA-N 363.483 2.182 50 40 FEGB CCOc1c(Br)cc(C(=O)NNC(=O)[C@H]2C[C@@H]2C)cc1OC 14190424 GYLKIFKXOYWTGB-WPRPVWTQSA-N 371.231 2.273 50 40 FEGB O=C(CNc1ccc(I)cc1)N/N=C/c1ccc[nH]1 409179323 ORKVJZTWLIJJFG-CAOOACKPSA-N 368.178 2.182 50 40 FEGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12 5774767 SLPPRJFYTIWDFT-DEDYPNTBSA-N 367.430 2.268 50 40 FEGB CC(=O)NNc1nc(C)c(C(/C=C\c2ccc([N+](=O)[O-])cc2)=N\N)s1 5832202 IQHTWDZGXYNLKW-OVOKOABASA-N 360.399 2.199 50 40 FEGB CCOC(=O)/C(C#N)=C(\NNc1ccccc1)c1ccncc1C(=O)O 1650252 KCHUIWDHSQEOFG-PEZBUJJGSA-N 352.350 2.194 50 40 FEGB Cc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1 3102527 IHOSOQZRWKBMAI-QGMBQPNBSA-N 373.325 2.079 50 40 FEGB CC(C)c1ccc(N(CC(=O)N/N=C/c2cccnc2)S(C)(=O)=O)cc1 20209060 FZLZPCGBKIFSPC-UDWIEESQSA-N 374.466 2.121 50 40 FEGB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCl 8390400 HRSVOAQOULJDJE-UHFFFAOYSA-N 360.863 2.437 50 40 FEGB CCN(CC)c1ccc(C(=O)NNC(=O)COc2ccccc2C#N)cc1 3304468 XFONHLSBMLAFCC-UHFFFAOYSA-N 366.421 2.244 50 40 FEGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)N(C)C)cc1OC 59334342 DERSPACGBGWBTA-GHXNOFRVSA-N 363.211 2.465 50 40 FEGB Cc1c(/C=C(/C#N)C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)cc(C#N)n1C 98054162 ODOITPAPPDXQBM-IPVNPLALSA-N 368.437 2.350 50 40 FEGB Cn1cccc1/C=N/NC(=O)c1cccc(I)c1 409088906 MFPRXJMQQZDNIY-OQLLNIDSSA-N 353.163 2.394 50 40 FEGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC)c(OC)c1 3067988 FNVMCLRJTVXSER-UDWIEESQSA-N 355.394 2.355 50 40 FEGB COc1ccccc1/C=N/NC(=O)c1ccc(CN2CCOCC2)cc1 23358553 YLMQNOZMBUVRLF-KGENOOAVSA-N 353.422 2.291 50 40 FEGB C=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3[nH]nc(C(C)C)c32)c2ccccc21 6733523 HHQDJCBUPPSXSO-HXUWFJFHSA-N 361.405 2.438 50 40 FEGB COc1cc2c(cc1/C=N/NC(=O)COc1cccc(N(C)C)c1)OCO2 409068793 VWZASABZRFJZPI-KEBDBYFISA-N 371.393 2.019 50 40 FEGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1 3167691 CNRCKVVDNGZCBD-VXLYETTFSA-N 361.785 2.446 50 40 FEGB C/C(Cn1nnc2ccccc21)=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1 1437074 FGXNPLKJLQQUMB-PDGQHHTCSA-N 352.354 2.074 50 40 FEGB C/C(=N\NC(=O)C(=O)Nc1ccc(C)cc1)[C@@H]1Cc2ccccc2C(=O)O1 54292508 DPRXVGYJHUYKPS-KOWBDXASSA-N 365.389 2.207 50 40 FEGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1cc(OC)cc(OC)c1 8810989 WFCBEXCTDZFNFJ-FYJGNVAPSA-N 368.389 2.488 50 40 FEGB COc1ccc(-n2c(SCC(=O)NN)nnc2-c2ccc(C)cc2)cc1 36724712 BWOOILBCDRGOGG-UHFFFAOYSA-N 369.450 2.333 50 40 FEGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)c2ccccc2)c1[N+](=O)[O-] 4814057 DOGZTBZRUDLRJV-VCHYOVAHSA-N 357.322 2.293 50 40 FEGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cccc(C)c2[nH]c1=O 876442 BRZXCAJCLUGOIK-OAHLLOKOSA-N 351.362 2.091 50 40 FEGB C=CCN1C(=O)[C@]2(C(C#N)=C(N)OC(C)=C2C(=O)OCC)c2ccccc21 989376 NTSKFSUYRBOBBZ-FQEVSTJZSA-N 365.389 2.018 50 40 FEGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)CC(=O)N1 2312003 HYKCKLPIKAOILX-LLVKDONJSA-N 360.391 2.050 50 40 FEGB COc1ccccc1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4695812 OSYGWKAILISJLW-LICLKQGHSA-N 358.310 2.204 50 40 FEGB Cn1cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c2ccccc21 4710292 WAEDZPPPYBMMNB-MQAPZGASSA-N 360.417 2.158 50 40 FEGB CCOC(=O)[C@](NC(=O)CCl)(Nc1cccc(F)c1)C(F)(F)F 2352555 ALHJWURFIZNLFO-GFCCVEGCSA-N 356.703 2.414 50 40 FEGB CCOc1ccc(NC(=O)N/N=C\c2ccc(OCC(N)=O)cc2)cc1 408905173 UQBRRFLPSWUPNH-JAIQZWGSSA-N 356.382 2.105 50 40 FEGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(O)cc1O)c1ccccc1 408978331 IHBOWETXJOXOQQ-DDLUMYACSA-N 371.393 2.425 50 40 FEGB COc1cc(OC)cc(C(=O)NNC(=O)CCCOc2ccccc2)c1 2626768 FMZCFCFFPRRLLG-UHFFFAOYSA-N 358.394 2.324 50 40 FEGB CCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)cc2)CC(=O)N1 6324086 BRCZPXYAJBCVTJ-CQSZACIVSA-N 359.451 2.293 50 40 FEGB O=C(N/N=C/c1ccc(OC2CSC2)cc1)[C@@H]1COc2ccccc2O1 59472942 XPPXKEJKSPKFSG-VTTDFXIBSA-N 370.430 2.471 50 40 FEGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1ccccc1 806035 DLCWBJCBZPLFBM-XDHOZWIPSA-N 365.418 2.483 50 40 FEGB O=C(NNC(=S)NC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 5944668 IEKXLHUHSHEGPL-UHFFFAOYSA-N 351.790 2.428 50 40 FEGB Cc1ccc(Cl)cc1N(CC(=O)NN=C1CCCC1)S(C)(=O)=O 408772150 BOSMVEILMNKAPN-UHFFFAOYSA-N 357.863 2.461 50 40 FEGB CN(C)c1ccc([C@@H]2C(C#N)=C(N)O[C@@H]3NN=C(C(F)(F)F)[C@H]32)cc1 5334446 HRYCYMTWOQECOC-JMSVASOKSA-N 351.332 2.024 50 40 FEGB O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)c2ccco2)C1 32901299 GMMHTJYSQOJSFS-LBPRGKRZSA-N 358.354 2.183 50 40 FEGB COc1ccc(-c2c(C)oc3cc(OCC(=O)NN)ccc3c2=O)cc1 2427580 GCIHISWUSKHZOG-UHFFFAOYSA-N 354.362 2.146 50 40 FEGB biogenic CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\Nc1ccc(O)cc1C 9344512 LWJLAUXOSSGRJP-DISPHTKASA-N 367.405 2.384 50 40 FEGB C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CCC(=O)c1cccs1 9951304 OJLVZHDOXXRVEB-LBPRGKRZSA-N 371.418 2.198 50 40 FEGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(N)=S)cc1OC 408544210 UDUPRLLCMMKLLU-WMZJFQQLSA-N 354.815 2.484 50 40 FEGB COCCNC(=O)/C(C#N)=C/c1ccc(OCC#N)c(Br)c1 408809361 NXYLZBXNFTYFPL-XYOKQWHBSA-N 364.199 2.021 50 40 FEGB CCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc(C(=O)OC)cc2)C1=O 9302613 XGVZLZLDYLVFFN-WJDWOHSUSA-N 353.378 2.388 50 40 FEGB COc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 408724654 AUWJJMBRNXSAFE-LICLKQGHSA-N 358.310 2.204 50 40 FEGB CCOc1ccc(C(=O)N/N=c2\oc3ccccc3cc2C(N)=O)cc1 72332480 UDFPNLULORRLRG-QOCHGBHMSA-N 351.362 2.176 50 40 FEGB O=C(O)/C(Br)=C(Br)/C=N\NC(=O)c1ccco1 24543616 BKLDCFRXBXVYTO-CGJKUHMWSA-N 365.965 2.081 50 40 FEGB COc1ccccc1NCC(=O)N/N=C/c1ccc(N2CCOCC2)s1 7010048 CEKDWSPFNYYIDH-UDWIEESQSA-N 374.466 2.156 50 40 FEGB CN(C)NC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 9155745 ZXQJDFTTZNRLFR-UHFFFAOYSA-N 359.451 2.035 50 40 FEGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNc1ccc(F)cc1 409360212 ZCOPJASISUKHHT-SRZZPIQSSA-N 370.340 2.308 50 40 FEGB NC(=O)CCn1cc(/C=N/NC(=O)CNc2ccccc2)c2ccccc21 409376941 CJRUFZWZQPPXSC-FSJBWODESA-N 363.421 2.079 50 40 FEGB O=C(O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1 97941881 OOBGVVFRNDCBEK-XALSLBCYSA-N 354.189 2.355 50 40 FEGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc2c(c1)OCO2 3060079 YOPZNSOWEHPZSG-UFWORHAWSA-N 359.769 2.466 50 40 FEGB Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)[C@@H](C)n1ccnc1 40144625 YVHIWCPQLFXQFI-CYBMUJFWSA-N 364.833 2.413 50 40 FEGB COc1ccnc(NNC(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)n1 40153982 UAVSDIZENMXWIY-SNVBAGLBSA-N 361.427 2.068 50 40 FEGB CC(C)NC(=O)COc1ccc(/C=N\NC(=O)COc2ccccc2)cc1 58883269 OYTCCUQUKDVHAZ-MTJSOVHGSA-N 369.421 2.119 50 40 FEGB CCCCC(=O)[C@@H]1C(=O)[C@H](Cl)C(C)(C)[C@](Cl)(C(=O)OC)C1=O 102969147 SMNDRXKKDMAWDI-BPYAMOTFSA-N 351.226 2.298 50 40 FEGB CCSc1nnc(SCC(=O)NNC(=O)c2cccs2)s1 8157274 UXIFCWKYQJECAO-UHFFFAOYSA-N 360.511 2.265 50 40 FEGB O=C(CSCC(=O)N/N=C\c1ccccc1)N/N=C\c1ccccc1 31614657 KXBZBEIHDZTADD-YZLQMOBTSA-N 354.435 2.020 50 40 FEGB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1ccc(O)cc1O 3106919 FHSBBVZAHWDECH-REZTVBANSA-N 365.729 2.189 50 40 FEGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccc(Cn2cccn2)c1 6220469 XFYAQVOHTZSPLY-YBFXNURJSA-N 365.349 2.309 50 40 FEGB O=C(NN/C=C1/C(=O)N(C2CCCCCC2)C(=O)N=C1O)c1ccccc1 5112275 IFQOALVQYWPPLG-NTCAYCPXSA-N 370.409 2.446 50 40 FEGB CCOC(=O)Cc1n[nH]c2c1[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 803703 PPDZYWFOFFPLCI-CQSZACIVSA-N 358.785 2.387 50 40 FEGB CCCc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)o1 7604824 BJPXDZASWIHXEK-UHFFFAOYSA-N 354.819 2.229 50 40 FEGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)COc1ccccc1 2283652 KDQGAPGXCHOZNE-SSDVNMTOSA-N 364.405 2.122 50 40 FEGB CCC(=O)NNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 408996529 IONWJQAMXZBALT-UHFFFAOYSA-N 356.338 2.018 50 40 FEGB CCCOc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1OCC 5431800 DPYAXPYNNWPGNC-DEDYPNTBSA-N 361.442 2.383 50 40 FEGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccc(F)cc2)cc1 59246414 ANZGGFSCSHYURD-XKZIYDEJSA-N 371.412 2.187 50 40 FEGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1c(F)cccc1Cl 29604825 OJTXSEWNJSHLPG-CYBMUJFWSA-N 350.733 2.080 50 40 FEGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(=O)NC1CCCC1 409191470 IFYLLOKDGJYTMX-RVDMUPIBSA-N 370.409 2.397 50 40 FEGB CCOc1ccc(N(CC(=O)NN=C2CCCCC2)S(C)(=O)=O)cc1 5205706 SEJSEUZRNZBFNP-UHFFFAOYSA-N 367.471 2.288 50 40 FEGB COc1ccc(N2C[C@H](NC(=O)C(C)(C)CCl)CC2=O)cc1OC 5221527 UEMVVDSJUUWRFJ-LLVKDONJSA-N 354.834 2.190 50 40 FEGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccccn2)c([N+](=O)[O-])c1 100927697 SYDODOMKJKFXLY-RGVLZGJSSA-N 371.353 2.133 50 40 FEGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc2ccccc2)cc1 21333777 NUALWJYJRGGEBO-GJZGRUSLSA-N 372.421 2.468 50 40 FEGB CCCCCCCC(=O)NNC(=O)NS(=O)(=O)c1ccc(C)cc1 100950295 QYPOAVVLTUZOOE-UHFFFAOYSA-N 355.460 2.375 50 40 FEGB C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1ccc2c(c1)OCCO2 5205534 YSWYHCDZIADJJV-FYJGNVAPSA-N 372.450 2.497 50 40 FEGB O=C(CSc1nc(-c2ccccc2)n[nH]1)NNC(=O)c1ccccc1 5209516 IIWBTTBJNSUBBW-UHFFFAOYSA-N 353.407 2.025 50 40 FEGB O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H](Cl)C(Cl)(Cl)Cl 96517693 QRGOAIUAXGUGSZ-LLVKDONJSA-N 370.019 2.334 50 40 FEGB COc1ccc(OCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1 5527034 ZUFWZOUSWZDCDE-RGVLZGJSSA-N 374.393 2.250 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)c(OC)c1 5546980 QRFPEAHQZIKMCP-RGVLZGJSSA-N 355.394 2.409 50 40 FEGB Cc1nc2ccccc2nc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(C)c(=O)c21 20086775 KBLZOBHGGRGUMD-MRXNPFEDSA-N 359.389 2.164 50 40 FEGB COCCNC(=O)CC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 58914837 UELCTVWTQVDHGN-RGVLZGJSSA-N 363.801 2.203 50 40 FEGB Cc1cccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)c1C 101310787 POSXTOUPICSARA-BREGNPSQSA-N 372.899 2.144 50 40 FEGB Cc1cc(C)nc(NNC(=O)[C@@H](c2ccccc2)N2CCSCC2)n1 58244231 UBGMGZJATRXNLX-MRXNPFEDSA-N 357.483 2.327 50 40 FEGB O=C(NCCCCl)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 13944883 NRWAXVZYWRGBST-CYBMUJFWSA-N 365.836 2.443 50 40 FEGB CC(C)OC(=O)[C@@H]1/C(=N/NC(=O)CC#N)C[C@@](C)(O)C[C@H]1c1ccccc1 254400617 NDLPWJOXTYXKLK-IPWAZYBUSA-N 371.437 2.269 50 40 FEGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2c(C)ccc(C)c2[nH]c1=O 876522 SACGCDSGJNMDJR-MRXNPFEDSA-N 365.389 2.400 50 40 FEGB COc1cc(OC)cc(C(=O)NNC(=O)CCOc2ccc(C)cc2)c1 5066090 PIOQEOHWAXCJJV-UHFFFAOYSA-N 358.394 2.242 50 40 FEGB CC(=O)C1=C(O)C(=O)N(CCBr)[C@@H]1c1cccc([N+](=O)[O-])c1 5155647 CERRGBJQNKQCSJ-GFCCVEGCSA-N 369.171 2.274 50 40 FEGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCC1)c1ccccc1F 20211665 IHFYFJCHNYIMRJ-UHFFFAOYSA-N 355.435 2.418 50 40 FEGB Cc1cc(C(=O)NNc2ncccn2)c(C)n1-c1ccc2c(c1)OCCO2 44717467 OTDPBIYEYAZVBY-UHFFFAOYSA-N 365.393 2.412 50 40 FEGB CCCCn1c(N)c(N(CCC(C)C)C(=O)CCCCl)c(=O)[nH]c1=O 3345041 VMEWGVMXSRPJKC-UHFFFAOYSA-N 372.897 2.317 50 40 FEGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(OC)c1OC 107858088 LEXITAUOYLPEQP-ODLFYWEKSA-N 373.365 2.313 50 40 FEGB COc1ccc(OCC(=O)N/N=C(\C)CC(=O)NCc2ccccc2)cc1 14922496 BENLDDFAXPPYDX-PXLXIMEGSA-N 369.421 2.273 50 40 FEGB N#Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2ccccc2Cl)n1 408721580 UZNXNSPHXFXBIL-KEBDBYFISA-N 365.784 2.015 50 40 FEGB CS(=O)(=O)[C@@H](I)C(=O)c1cccc(Cl)c1 96517906 RQBUSBGDTFANGS-SECBINFHSA-N 358.584 2.328 50 40 FEGB Cc1cc(N(CCCl)CCCl)ccc1/C=N/Nc1nncn1N 5930732 MHPJBQVYWZUCJE-GIJQJNRQSA-N 356.261 2.030 50 40 FEGB O=C(NNC(=O)C1CCCCC1)c1ccc(=O)n(Cc2ccccc2)c1 16839253 LSFDTEQBAXTLNB-UHFFFAOYSA-N 353.422 2.238 50 40 FEGB COc1cc(NC(=O)C/C(C)=N/NC(=O)c2cccnc2)cc(OC)c1 101904105 DWSYUTFXRGNGJA-CIAFOILYSA-N 356.382 2.233 50 40 FEGB CC1(C)N=C(N)N=C(N)N1c1ccc(N(CCCl)CCCl)cc1 1669631 BXCJCYCMGXNFAV-UHFFFAOYSA-N 357.289 2.156 50 40 FEGB Cc1cc2c(c(=O)n1CCO)[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 4851021 YPYRGQDSEWPKQX-HNNXBMFYSA-N 357.797 2.021 50 40 FEGB N#Cc1ccc(OCC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)cc1 8350272 HDNNLQNLMFFZDL-UHFFFAOYSA-N 363.295 2.417 50 40 FEGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)COc2ccc(C)c(C)c2)c1C 9613920 QKDCEBSYRUWILC-UHFFFAOYSA-N 357.410 2.291 50 40 FEGB COc1ccc(/C=N/NC(=O)[C@H](C)n2nnc3ccccc32)cc1OC 687096 VWRKPUAXYXGVHK-MKFNJMOCSA-N 353.382 2.160 50 40 FEGB O=C1[C@H](Cl)[C@H](c2cccc([N+](=O)[O-])c2)N1n1cnc2ccccc2c1=O 1632092 GLIPMQANQSVZFV-CABCVRRESA-N 370.752 2.132 50 40 FEGB O=C(N/N=C/c1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 6889633 FUBGXYSHSVTZSA-HMMYKYKNSA-N 371.462 2.238 50 40 FEGB CCS(=O)(=O)[C@H](I)[C@H](O)c1ccc(F)cc1 96519268 JFBIXKUAHKJQOA-ZJUUUORDSA-N 358.172 2.055 50 40 FEGB Cc1ccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1C 101318290 QXIDKADQUOTZBV-YXEAAEFPSA-N 372.899 2.144 50 40 FEGB O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1c[nH]nc1-c1ccccc1 4427728 DBIPEDJJAYYSGB-LSHDLFTRSA-N 365.368 2.096 50 40 FEGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccncc3)CC2)cc1 409006628 QHBFJXOLNKEXLL-HYARGMPZSA-N 366.421 2.093 50 40 FEGB CC1(C)C(=O)[C@]2(Br)CC[C@@]1(CC(N)=O)[C@@H]2Br 85398917 JGRNXLIZHLAUNY-XROYCOCOSA-N 353.054 2.148 50 40 FEGB O=C(N/N=C/c1ccncc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 1095092 BCVOLFIXWWZNCA-LPYMAVHISA-N 354.385 2.223 50 40 FEGB CCOC(=O)C1=C(CCl)N(C)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 35326443 RJZJTLJKAMNHIC-CYBMUJFWSA-N 353.762 2.347 50 40 FEGB CC(=O)C1=C(OC(C)(C)C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccccc12 49947125 XUPPWXHXFUPJJK-IBGZPJMESA-N 353.378 2.216 50 40 FEGB CN1c2ccccc2C2=C([C@@H](c3cccnc3)C(C#N)=C(N)O2)S1(=O)=O 20558323 VGHWGXBAFCACFY-HNNXBMFYSA-N 366.402 2.038 50 40 FEGB Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 869545 OSFANMNHTWYTMG-UHFFFAOYSA-N 369.786 2.180 50 40 FEGB COc1cc(Cl)cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c1O 1273339 QLTKLHSBPABTTC-ODGHKMFZSA-N 362.769 2.344 50 40 FEGB O=C(NNC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccccc1O 13006495 PEWIIIXZPLTQFL-UHFFFAOYSA-N 362.389 2.141 50 40 FEGB Cc1ccc(C)c(OCC(=O)NNC(=O)COc2ccc3c(c2)CCC3)c1 7814096 CYIUDBQIYXGDJO-UHFFFAOYSA-N 368.433 2.397 50 40 FEGB COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1ccc(Cl)cc1 5375449 MHBZMPICQOHANF-INIZCTEOSA-N 362.769 2.461 50 40 FEGB Cc1ccc(C(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)cn1 30888691 PRXLICGAASRJTD-UHFFFAOYSA-N 353.300 2.249 50 40 FEGB COC(=O)/C(C#N)=C/c1c(N2CCC[C@H](C)C2)nc2c(C)cccn2c1=O 5573347 ZTMKFEWRNWLWHL-LERPTODRSA-N 366.421 2.319 50 40 FEGB CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c1O 408967851 SKLCAOMNUMSQAF-AWQFTUOYSA-N 372.312 2.474 50 40 FEGB COc1ccc(-n2c(SCC(=O)NN)nnc2-c2ccccc2)cc1 36724756 YRFMMXUXBHMIMB-UHFFFAOYSA-N 355.423 2.025 50 40 FEGB Cc1ccccc1C(=O)N1CCC(C(=O)N/N=C/c2cccnc2)CC1 1095060 GAQRUUWNNFSQHH-HYARGMPZSA-N 350.422 2.393 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc1OC 3178199 HZPYIHMZSVVXPV-RGVLZGJSSA-N 355.394 2.409 50 40 FEGB Cn1cc(C(=O)NNS(=O)(=O)c2cc(F)cc(F)c2)c2ccccc21 9616548 IKZNXPRMISSBHL-UHFFFAOYSA-N 365.361 2.080 50 40 FEGB CCS(=O)(=O)[C@@H](I)C(=O)c1ccc(C)cc1 96517960 VMUJXRJPTXTTIB-LLVKDONJSA-N 352.193 2.374 50 40 FEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1OCC 4402119 ALEPMTOSMHQFBL-DEDYPNTBSA-N 359.426 2.159 50 40 FEGB Cc1ccc(Cc2nnc(NNC(=O)c3ccccc3Cl)[nH]c2=O)cc1 7424201 DWLXQDGDFZPGDH-UHFFFAOYSA-N 369.812 2.474 50 40 FEGB CCCCCC(=O)NNC(=O)Cc1nnc(NC(=O)CCCCC)s1 6050840 IXHIPZDZOWFCFO-UHFFFAOYSA-N 369.491 2.327 50 40 FEGB COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)c(O)c([N+](=O)[O-])c1 59720821 ONCVSHCLUYWDPL-DJKKODMXSA-N 358.354 2.180 50 40 FEGB Cc1c(C(=O)NNS(=O)(=O)c2ccc3c(c2)CCO3)oc2ccccc12 48252797 OHGHEMOBZHYYTA-UHFFFAOYSA-N 372.402 2.299 50 40 FEGB CC1(C)Cc2cccc(OCC(=O)NNC(=O)c3ccccc3F)c2O1 2626911 SROBXHYZESXCPC-UHFFFAOYSA-N 358.369 2.379 50 40 FEGB O=C(CNc1cccc(Cl)c1)NNC(=S)NCCc1ccccc1 5022046 FBNHCQGFAAHHKE-UHFFFAOYSA-N 362.886 2.490 50 40 FEGB Cc1ccc(S(=O)(=O)/C(C#N)=C\N[S@](=S)c2ccncc2)cc1 17223445 VNMNSCWHDFSDNN-SISXUJTISA-N 363.489 2.173 50 40 FEGB COc1ccc2nc(SCC(=O)NNC(=O)c3ccccc3)[nH]c2c1 4252235 AMJWGNCBNBXCEG-UHFFFAOYSA-N 356.407 2.125 50 40 FEGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2c(OC)cccc2OC)cc1 6538577 CDENEIDMDWYTMB-UDWIEESQSA-N 371.393 2.191 50 40 FEGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(F)cc2)cc1 59434126 DNYKWZSTBGATIA-RGVLZGJSSA-N 357.341 2.091 50 40 FEGB Cc1ccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)cc1C 101318287 QXIDKADQUOTZBV-BLCHQYFCSA-N 372.899 2.144 50 40 FEGB C/C(=N\NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1cccs1 59503570 NTEKHNUDSZGGLB-GHRIWEEISA-N 365.480 2.363 50 40 FEGB N#Cc1ccc(OCC(=O)N/N=C(\CCC(=O)O)c2cccs2)cc1 6052948 SMHCCDAVMRMMTF-XMHGGMMESA-N 357.391 2.384 50 40 FEGB Cn1nc(C(=O)N/N=C/c2ccc(OC(F)F)cc2)c2ccccc2c1=O 6627967 KFQWSKHZIUHEJN-UFFVCSGVSA-N 372.331 2.299 50 40 FEGB N#Cc1ccccc1OCC(=O)NNC(=O)Cc1cccc2ccccc12 6654514 XNNYDXDQESFBAS-UHFFFAOYSA-N 359.385 2.480 50 40 FEGB Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2ccccc2Cl)n1 408984183 MBDHOPWKHDHOBT-VXLYETTFSA-N 354.801 2.452 50 40 FEGB CCc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(OC)cc2)cc1 11612066 NYSQKESOPKEPIM-AWEZNQCLSA-N 372.421 2.251 50 40 FEGB Cc1cccc(C(=O)NNC(=O)c2ccc(=O)n(Cc3ccccc3)c2)c1 16839259 UMVFDSAZKNGYCO-UHFFFAOYSA-N 361.401 2.280 50 40 FEGB O=S(=O)(c1ccccc1)N1CCC2(CC1)C[C@@H](Br)CO2 11113976 OVARABZNHWXTRC-GFCCVEGCSA-N 360.273 2.394 50 40 FEGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(O)c1 408906810 KREBLPIDLLPIGJ-UOBPLZBXSA-N 355.394 2.200 50 40 FEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1 408567732 PLTCNNBVXPXQBD-MFOYZWKCSA-N 374.309 2.284 50 40 FEGB O=C(CN1CCCc2ccccc21)NNC(=O)c1ccc(O)c(Cl)c1 60792219 ARLLOPISNQIPIQ-UHFFFAOYSA-N 359.813 2.259 50 40 FEGB C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)C(=O)NCc1ccccc1 5363166 CJAOLUXEFGZJKX-HZHRSRAPSA-N 366.421 2.132 50 40 FEGB Cc1onc(-c2ccccc2)c1C(=O)NNC(=S)NC(=O)c1ccco1 2247901 VDHMLUOIBGCXRQ-UHFFFAOYSA-N 370.390 2.192 50 40 FEGB O=C(NNC(=O)c1ccco1)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 23109481 PYEMHTIKJDYQGL-UHFFFAOYSA-N 371.780 2.218 50 40 FEGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1 4544639 NAHIHALSKWQHNL-UFFVCSGVSA-N 355.325 2.013 50 40 FEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccccc1 408526377 BUJUCMKYCBRMIV-VCHYOVAHSA-N 359.338 2.141 50 40 FEGB CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1[C@H]1CC=CCC1 21601437 PVEFARARDFFACW-BLLLJJGKSA-N 361.467 2.353 50 40 FEGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccc(F)c3)CC2=O)cc1C 408615406 PXTAWVQIRXCPDL-HNNXBMFYSA-N 369.396 2.257 50 40 FEGB COCCOc1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1OC 8106165 YPWUYJRMKZFWDM-NIZGNDASSA-N 367.405 2.478 50 40 FEGB CC[C@@H](Br)C(=O)NCCC(=O)Nc1cccc(C(=O)OC)c1 8733065 KYOVBNJPZCFAMB-GFCCVEGCSA-N 371.231 2.092 50 40 FEGB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CCC(O)(C#N)CC3)C2)c1 101457445 QVGARWNBMPBWSK-KRWDZBQOSA-N 369.465 2.033 50 40 FEGB O=C(Cn1ccc(C(F)(F)F)n1)N/N=c1/c(=O)c2cccc3cccc1c32 6598703 VYYVMPPWQRVLAE-XQNSMLJCSA-N 372.306 2.076 50 40 FEGB CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCC(N)=O 83292771 NPEUEAGJLHTZTI-NHDPSOOVSA-N 355.394 2.022 50 40 FEGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3ccncc3)CC2)c1 1103068 WAWBIEHNNXVRIR-HYARGMPZSA-N 366.421 2.093 50 40 FEGB N#Cc1ccccc1OCC(=O)NNC(=O)/C=C/c1c(F)cccc1F 46573536 YVLCOSOVNILXNS-CMDGGOBGSA-N 357.316 2.076 50 40 FEGB COc1ccc(/C(C)=N/NC(=O)CNC(=O)c2ccc(F)cc2)cc1OC 5024475 WKMXDOWXPQORPG-WSDLNYQXSA-N 373.384 2.113 50 40 FEGB CCSc1nnc(SCC(=O)NNC(=O)c2ccccc2F)s1 5450382 PPCQUQSTZDDLDN-UHFFFAOYSA-N 372.472 2.343 50 40 FEGB CCc1ccc(OCC(=O)NNC(=O)c2ccc(OC)cc2OC)cc1 12778195 OTQXCBXBFQVDDP-UHFFFAOYSA-N 358.394 2.106 50 40 FEGB COc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccccc3OC)CC2=O)cc1 5513780 BTRUCEUHMCHNLJ-RANIVTSPSA-N 367.405 2.207 50 40 FEGB CC[C@H](NNC(=O)c1ccccc1-n1cccc1)C(=O)Nc1cc(C)on1 12543810 XOXWFFIONRBMGX-HNNXBMFYSA-N 367.409 2.425 50 40 FEGB COc1cc(/C=N/NC(=O)CC#N)ccc1Oc1nc(Cl)ncc1F 4950877 IDNKNAPOEBBXGN-IFRROFPPSA-N 363.736 2.434 50 40 FEGB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1cccc(O)c1 9155102 FJIJAUOGUQYXRM-JTQLQIEISA-N 361.379 2.242 50 40 FEGB COc1ccc(/C=N/NC(=O)c2c(C)nc3sccn23)cc1[N+](=O)[O-] 58883818 YKTXFBAHVKQFBL-LZYBPNLTSA-N 359.367 2.385 50 40 FEGB COc1ccc(/C(C)=N\NC(=O)CNc2ccc3c(c2)OCO3)cc1OC 408592587 ZNMGWRKRAGFGTO-MTJSOVHGSA-N 371.393 2.385 50 40 FEGB Cc1c(C(=O)N/N=C/c2ccc(N(C)C)cc2)sc2ncnc(N)c12 408972980 JFSQKQMZLNMMPN-ODCIPOBUSA-N 354.439 2.412 50 40 FEGB COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)N3CCOCC3)o2)cc1 409007256 NGZMKNKGJBMQSP-FOWTUZBSSA-N 366.373 2.499 50 40 FEGB O=C(Cc1ccccc1)NNC(=O)Cc1csc(Cc2ccccn2)n1 32921959 SAJXUUWREAATIG-UHFFFAOYSA-N 366.446 2.062 50 40 FEGB O=C(CSc1nccn1-c1ccccc1)NNC(=O)c1ccccc1 27486393 SVUJMAPORGFZIO-UHFFFAOYSA-N 352.419 2.426 50 40 FEGB CCn1c(C)cc2c(c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 2351210 OBKQMFXNSBEJSQ-HNNXBMFYSA-N 352.350 2.303 50 40 FEGB COC(=O)c1ccc(COc2ccc(/C=N/NC(N)=O)cc2OC)cc1 2330219 WKJBWFPOGNKLOP-KEBDBYFISA-N 357.366 2.063 50 40 FEGB O=C(CCC1CCCCC1)NNC(=O)c1csc(N2CCOCC2)n1 12803764 DASNTBUAJLJKDY-UHFFFAOYSA-N 366.487 2.101 50 40 FEGB O=C(NNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1cccc2ccccc12 409382063 XPYWPLGMZMZQCL-WRFANHODSA-N 350.374 2.124 50 40 FEGB C[C@@H](NC(=O)COc1ccc2c(c1)CCCC2)C(=O)N/N=C/c1ccco1 4679964 IDLKSUMYIFTRPE-STCDJXRXSA-N 369.421 2.192 50 40 FEGB O=C(CNC(=O)c1ccccc1)NNC(=O)CC12CC3CC(CC(C3)C1)C2 5788781 HSHNNQUQLZXYPM-UHFFFAOYSA-N 369.465 2.170 50 40 FEGB C[C@@H]1C[C@@H](C)CN(C(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)C1 9791900 ISCFARSVOYHEQS-CHWSQXEVSA-N 359.405 2.344 50 40 FEGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2C[C@@H]2c2cccnc2)c1C 84219128 YQYGFLQMGAYMHM-DJIMGWMZSA-N 353.422 2.417 50 40 FEGB O=C(CN1CCCCC1)N/N=C/c1cc2c(cc1Br)OCO2 408719699 KFMQRGFSUOSCLG-CAOOACKPSA-N 368.231 2.114 50 40 FEGB Cc1ccc(NCC(=O)N/N=C\c2ccc3c(c2)n(C)c(=O)n3C)cc1C 409085065 RFZHTHWIYRQYFR-JJFYIABZSA-N 365.437 2.056 50 40 FEGB O=C(N/N=C/c1ccc(SCCO)c([N+](=O)[O-])c1)c1ccccc1O 32124867 WBCNHUXYEGFUHM-LICLKQGHSA-N 361.379 2.149 50 40 FEGB CCS(=O)(=O)[C@@H](I)C(=O)c1ccc(OC)cc1 96517978 VWWCBMHRSLCWTL-LLVKDONJSA-N 368.192 2.074 50 40 FEGB N#CC(C(=O)COC(=O)c1ccc(O)cc1O)=C1Nc2ccccc2N1 21152175 LPFDNBZOIAHDFE-UHFFFAOYSA-N 351.318 2.096 50 40 FEGB COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2ccccn2)cc1OC 101503838 BRPXDRWRCNQWLA-LPYMAVHISA-N 370.409 2.162 50 40 FEGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OC)cc1Cl 59433916 SEBMZAYASQZZJT-VXLYETTFSA-N 361.785 2.446 50 40 FEGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 2628441 FYKYYVXSEMATEX-UHFFFAOYSA-N 362.769 2.195 50 40 FEGB COc1cccc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2OC)c1 409224423 HPAWJXOYXLPNCY-KGENOOAVSA-N 369.421 2.304 50 40 FEGB O=C(N/N=C\c1ccc(/C=N\NC(=O)c2cccnc2)cc1)c1cccnc1 31769006 QPPCHCQMEGGACV-CBSQCECLSA-N 372.388 2.004 50 40 FEGB C[C@H]1CC(=O)N(C)c2ccc([N+](=O)[O-])cc2N1C(=O)CCBr 5533220 YKDPTDGZMREDJD-VIFPVBQESA-N 370.203 2.468 50 40 FEGB CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)C[C@H]1O 195804625 HGLRBQHXIBHZTD-WOPDTQHZSA-N 365.510 2.079 50 40 FEGB CC(C)(C)NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 12798640 HAXSDGFQCBKOHO-UHFFFAOYSA-N 364.471 2.201 50 40 FEGB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)CN1C(=O)[C@H]3CC=CC[C@H]3C1=O)C2 58377742 AYMRRJAUYALEBB-PUFPNVJYSA-N 357.454 2.256 50 40 FEGB COC(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C\N(CCCl)CCCl 5605817 LMBVSKNWHPFDMH-YYRKOSNBSA-N 373.280 2.180 50 40 FEGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2C)ccc1O 3060054 DGXXQLQDQBPLJJ-DJKKODMXSA-N 361.785 2.451 50 40 FEGB O=C(N/N=C\C=C\c1ccc2c(c1)OCO2)[C@@H]1COc2ccccc2O1 13563540 HFDXFUZRSIKREF-DIXZNLRYSA-N 352.346 2.371 50 40 FEGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(CN2CCOCC2)cc1 24539327 QGOYOVXTRYVXFO-DEDYPNTBSA-N 368.393 2.191 50 40 FEGB CC1=C(C)C[C@@H](C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2)[C@@H](C(=O)O)C1 6860534 NJMDASRBGQLYGD-OIISXLGYSA-N 374.437 2.357 50 40 FEGB C[C@]1(C(=O)N/N=C/c2ccncc2)CC1(Br)Br 2752988 CVRIDSAAOAVECV-UWJMNNEMSA-N 361.037 2.428 50 40 FEGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@@H]1CCc2cn[nH]c2C1 72302675 GFELBTHYAQLBDJ-NSOUWEPUSA-N 356.470 2.269 50 40 FEGB COc1ccc(OCC(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)cc1 409350960 VBZYKXNXTSPELR-UHFFFAOYSA-N 358.316 2.264 50 40 FEGB CCOc1ccc(CC(=O)N/N=C\c2cc(OC)cc([N+](=O)[O-])c2O)cc1 408711780 KBCBZOGYRLXFBJ-ODLFYWEKSA-N 373.365 2.401 50 40 FEGB O=C1C=C(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccco2)C1 408751380 JVMIQOUVWHZKGE-ZDUSSCGKSA-N 355.350 2.382 50 40 FEGB CN(C)c1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1 3082279 TVXJAMWXQJGYOX-RQZCQDPDSA-N 373.325 2.039 50 40 FEGB CCN(CC)c1ccc(/C=N/NC(=O)Cn2nc3ccccc3n2)cc1 994098 NWJBAHPNDSEAGH-DEDYPNTBSA-N 350.426 2.428 50 40 FEGB COc1cc(C)c(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])cc1OC 108953345 BSSKKYSYQKAMQP-GRSHGNNSSA-N 373.365 2.450 50 40 FEGB COc1cc(OC)cc(C(=O)NNC(=O)c2cc(Cl)ccc2OC)c1 2629223 AKKVVESGZNWWKK-UHFFFAOYSA-N 364.785 2.441 50 40 FEGB O=C(N/N=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)c1ccco1 408771491 HJPFWUVKHAVTGK-WOJGMQOQSA-N 373.390 2.115 50 40 FEGB CCN(CC)c1ccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)cc1 217377624 WVSCHRHVXZPXSH-HNNXBMFYSA-N 358.891 2.292 50 40 FEGB O=C(NNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1ccccc1 12846542 FPBQIDJQYCAICJ-AWEZNQCLSA-N 357.435 2.062 50 40 FEGB CCOC(=O)[C@](NC(=O)CCl)(Nc1ccc(F)cc1)C(F)(F)F 2218178 TZOMGVOHUCIJOD-GFCCVEGCSA-N 356.703 2.414 50 40 FEGB C/C(N)=C(\C#N)C(=O)COC(=O)c1c(C)nn(Cc2ccccc2)c1C 104853767 RKRCRUSQVXMJPL-VBKFSLOCSA-N 352.394 2.030 50 40 FEGB O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(-c2nc3ccccc3s2)o1 42960158 UTNKMOGBDZBPDB-NSHDSACASA-N 357.391 2.496 50 40 FEGB CCN(CC)S(=O)(=O)C[C@@]1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2Br 103242699 GABZYPCVFFKYPB-XCCSTKFXSA-N 366.321 2.427 50 40 FEGB O=C(CC(=O)N/N=C/c1ccccc1C(F)(F)F)NCc1cccnc1 59434411 BKJCYIMYCGMNFR-FOKLQQMPSA-N 364.327 2.257 50 40 FEGB CCS(=O)(=O)[C@@H](I)[C@@H](O)c1ccc(C)cc1 96519267 UPWVKLMVQBXKPJ-WDEREUQCSA-N 354.209 2.224 50 40 FEGB O=C1C[C@H](C2([C@H]3CC(=O)OC3=O)c3ccccc3-c3ccccc32)C(=O)O1 627281278 KWAZRHYTFWYYEZ-HOTGVXAUSA-N 362.337 2.133 50 40 FEGB COc1cccc(NCC(=O)NNC(=O)c2cc(Cl)ccc2F)c1 12534172 QLXDJHXUZFDTAM-UHFFFAOYSA-N 351.765 2.361 50 40 FEGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)CN3CCOCC3)c2C)cc1 59246454 CSYCNYZRRRXHJP-HYARGMPZSA-N 368.481 2.439 50 40 FEGB Cc1cc(C(=O)NNC(=O)C[C@@H]2Sc3ccccc3NC2=O)c(C)o1 6558056 WWCNOTHCYIMBOT-AWEZNQCLSA-N 359.407 2.161 50 40 FEGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 408607855 FHMDQOZDXVGWCX-WSDLNYQXSA-N 357.385 2.381 50 40 FEGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc2c(c1)OCCCO2 32520762 DLPJBYJHOFVCCG-UHFFFAOYSA-N 365.389 2.333 50 40 FEGB O=C(CCNNC(=O)c1ccccc1O)SC(=S)N1CCCCC1 35323541 NTTLWQUNBIZUKP-UHFFFAOYSA-N 367.496 2.047 50 40 FEGB CCS(=O)(=O)[C@H](I)[C@@H](O)c1cccc(F)c1 96519278 PDZQUIXIBFHRBB-UWVGGRQHSA-N 358.172 2.055 50 40 FEGB C/C(CC(=O)NCc1ccc(F)cc1)=N\NC(=O)c1ccc(O)cc1O 13381853 IFOBOZOZSRIOIN-SRZZPIQSSA-N 359.357 2.049 50 40 FEGB CCOC(=O)CSC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 9110478 NEBXCODPOVARQO-GFCCVEGCSA-N 361.379 2.230 50 40 FEGB CCOC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O 1693999 GSWFWZCSRPDVII-HNNXBMFYSA-N 361.269 2.191 50 40 FEGB COC(=O)c1ccc(OCC(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1 2227371 QJKSNFTUOMZPJX-RGVLZGJSSA-N 372.377 2.020 50 40 FEGB COCCn1c(C)cc2c(c1=O)[C@@H](c1ccccc1OC)C(C#N)=C(N)O2 2347612 ZDJPISATTCISJJ-KRWDZBQOSA-N 367.405 2.030 50 40 FEGB CC[C@@H](C)C(=O)NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 23450291 MUIZXJVOMFJBSX-SECBINFHSA-N 370.331 2.404 50 40 FEGB CCN(CC)c1ccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)cc1 217377546 WVSCHRHVXZPXSH-OAHLLOKOSA-N 358.891 2.292 50 40 FEGB CCCOc1ccc(C(=O)NNC(=O)Cc2cccc(OC)c2)cc1OC 12765049 GUIIGBCIINFONK-UHFFFAOYSA-N 372.421 2.496 50 40 FEGB Cc1ccccc1N1C(=O)C[C@@H](NNC(=O)c2cc3c(s2)CCC3)C1=O 3375041 ZSCGHCYFLYKPLM-CYBMUJFWSA-N 369.446 2.112 50 40 FEGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)[C@H]2COc3ccccc3O2)c1 4520258 UZCYZJYFNCTQMA-AGKWGAAGSA-N 353.378 2.325 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1O[C@@H](C)C(=O)O 409018343 WNIGSYXRWZWYGD-KKBVUKDESA-N 360.341 2.450 50 40 FEGB O=C(N/N=C\c1cc(Br)c(O)cc1O)c1ccccc1O 96838719 BOTXJTGWKKHTHU-APSNUPSMSA-N 351.156 2.330 50 40 FEGB CC1=NN(C(=O)c2ccccc2)[C@](C)(NNC(=O)c2ccccc2O)C1 5296656 KRZUHJMCTAAMCD-IBGZPJMESA-N 352.394 2.265 50 40 FEGB CCOc1ncccc1C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 6489246 FMAUKJZQDUKYMP-UHFFFAOYSA-N 364.361 2.479 50 40 FEGB O=C(CCC(=O)N/N=C/c1ccccc1F)N/N=C/c1ccccc1F 3090604 HAASVHFDOPRROT-XHQRYOPUSA-N 358.348 2.345 50 40 FEGB Cc1occc1C(=O)NNC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 53957431 DYWBKEXZHYVBHX-GFCCVEGCSA-N 368.397 2.216 50 40 FEGB COc1ccc(CC(=O)NNC(=O)COc2c(C)cccc2C)cc1OC 6985388 RFHSNNZYTLFBBR-UHFFFAOYSA-N 372.421 2.090 50 40 FEGB CC(C)COc1ccc(C(=O)NNC(=S)NC(=O)c2ccco2)cc1 12137753 KMARYEGSAAUTHS-UHFFFAOYSA-N 361.423 2.264 50 40 FEGB C/C(CC(=O)Nc1ccc2c(c1)OCO2)=N\NC(=O)c1ccc(N)cc1 100543153 AUGHAQKWDIHKOL-SRZZPIQSSA-N 354.366 2.132 50 40 FEGB O=C1NC(=O)[C@@]2(CCCc3ccc(N(CCCl)CCCl)cc32)N1 2043997 KSQRKBHYZMVDGF-INIZCTEOSA-N 356.253 2.342 50 40 FEGB COc1ccccc1NC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 5825572 MZGNZFXXGJBVSJ-UHFFFAOYSA-N 356.382 2.103 50 40 FEGB CCN1C(=O)/C(=N\NC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 17877639 MMLKAPFCVCRUHJ-JZJYNLBNSA-N 353.378 2.204 50 40 FEGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C 252486501 HMINKQXVCDBFRP-DNTJNYDQSA-N 369.404 2.099 50 40 FEGB O=C(N/N=C/c1ccc(I)cc1)c1ccncc1 1507096 WWNORRWSKRJLKU-CXUHLZMHSA-N 351.147 2.450 50 40 FEGB Cc1cc(C(=O)NNC(=O)c2ccccc2O)c2cnn(C(C)C)c2n1 12599699 KHWCMWMXIJJNPI-UHFFFAOYSA-N 353.382 2.101 50 40 FEGB COc1cc([C@@H](C#N)NNC(=O)Cc2ccccc2)cc(OC)c1OC 6403586 YPMNMTOQBDIYOZ-OAHLLOKOSA-N 355.394 2.141 50 40 FEGB O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1cccnc1 2307987 AGYDSVUVXIUKNQ-FRKPEAEDSA-N 365.143 2.222 50 40 FEGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2OC)ccc1O 59433976 MPSYJDIGNCVAPW-RGVLZGJSSA-N 371.393 2.197 50 40 FEGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1cccc([N+](=O)[O-])c1 408973970 SCLNXXYGXXEQTL-YODDIOPGSA-N 366.377 2.061 50 40 FEGB CCOC(=O)CCC(=O)NNC(=O)C(c1ccccc1)c1ccccc1 5868991 LGSINUHPURBHMJ-UHFFFAOYSA-N 354.406 2.309 50 40 FEGB CCOC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O 2043667 GSWFWZCSRPDVII-OAHLLOKOSA-N 361.269 2.191 50 40 FEGB C[C@H](Sc1nncs1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 42765567 ITXYXLKKWXWBGC-HMHCLHNZSA-N 366.512 2.383 50 40 FEGB Cn1cc(C(=O)NNC(=O)NCCOc2ccc(F)cc2)c2ccccc21 28996040 VXXVKKRMSPQJLE-UHFFFAOYSA-N 370.384 2.340 50 40 FEGB C=CCOc1ccc(/C=N/NC(=O)CC(=O)NCC(C)C)cc1OCC 408718272 HDIDLJVEFLRAJJ-FYJGNVAPSA-N 361.442 2.263 50 40 FEGB O=C(N/N=C/c1cccc(Cl)c1)[C@H](c1ccncc1)N1CCOCC1 20029175 PKVOURYNIIDCGC-RSZPVBOMSA-N 358.829 2.259 50 40 FEGB C/C(=N/NC(=O)c1ccncc1)c1ccc(NC(=O)CCCC(=O)O)cc1 5620753 FPFBARDRAIDUEF-XKZIYDEJSA-N 368.393 2.429 50 40 FEGB COc1ccc(CC(=O)NNC(=O)c2cc3cc(OC)ccc3[nH]2)cc1 9581816 SAOAVYSCTSJMGM-UHFFFAOYSA-N 353.378 2.189 50 40 FEGB Cn1nc(C(=O)N/N=C/c2ccccc2OC(F)F)c2ccccc2c1=O 8341662 VEYNHLZZXBPMKD-UFFVCSGVSA-N 372.331 2.299 50 40 FEGB COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)CC#N)c3ccccc32)o1 409391129 HMPQDSRLTNNHPF-UFFVCSGVSA-N 364.361 2.433 50 40 FEGB O=C1C=C(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccco2)C1 408751379 JVMIQOUVWHZKGE-CYBMUJFWSA-N 355.350 2.382 50 40 FEGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1)N/N=C/c1cccc([N+](=O)[O-])c1 31628920 DKFSPJZPMJPBKN-ZAGBYUSBSA-N 356.298 2.170 50 40 FEGB CC1(C)C(=O)[C@@]2(Br)CC[C@]1(CC(N)=O)[C@@H]2Br 85398915 JGRNXLIZHLAUNY-BKDNQFJXSA-N 353.054 2.148 50 40 FEGB COc1ccccc1NCC(=O)N/N=C/c1ccc(N2CCOCC2)cc1 3577267 FNQUHPLXTKWXFC-HYARGMPZSA-N 368.437 2.094 50 40 FEGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CC#N)cc1)c1ccccc1 28214251 JLMNKZXDJWGNLL-IKMPRTQCSA-N 364.405 2.307 50 40 FEGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(O)c(OC)c2)CC(=O)N1 4147590 XEWGDMLNFFBAIN-LLVKDONJSA-N 362.407 2.036 50 40 FEGB CN(C)c1nc(N)nc(/C(C#N)=C\c2ccc(OC[C@@H]3CCCO3)cc2)n1 96939683 BNLUQMUZQAGMRH-DNXIFWLFSA-N 366.425 2.142 50 40 FEGB O=C(CCl)N(c1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 217382593 AOYAMIHGRINODT-SECBINFHSA-N 355.765 2.464 50 40 FEGB Cc1sc2nc(SCC(=O)NN)n(-c3ccccc3)c(=O)c2c1C 5537707 QMKWEYDUBLNLTD-UHFFFAOYSA-N 360.464 2.146 50 40 FEGB O=C(NNC(=O)c1ccccc1Br)c1ccc2[nH]cnc2c1 15952929 NCFTVUOKUOWRPS-UHFFFAOYSA-N 359.183 2.400 50 40 FEGB CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NN(C)C)c2)cc1 8032914 YULBXOLKRLJDIB-UHFFFAOYSA-N 363.439 2.093 50 40 FEGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(N)=O 8112944 LCCGRKUCTVSLTC-NTEUORMPSA-N 351.362 2.105 50 40 FEGB O=C(NNS(=O)(=O)c1ccc(Cl)nc1)C12CC3CC(CC(C3)C1)C2 5127171 KGXOUWWQUABTCF-UHFFFAOYSA-N 369.874 2.261 50 40 FEGB C/C(=N\NC(=O)CNc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 409176675 URKRGMLPMOYCID-YBFXNURJSA-N 356.338 2.276 50 40 FEGB Cc1nc2ccc(NC(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3Cl)cc2s1 575425481 ZJOKFYJPBCTIFK-GXSJLCMTSA-N 359.860 2.131 50 40 FEGB Cc1cc(=O)[nH]c(NN2[C@@H](Cl)C(=O)[C@@H]2c2c(O)ccc3ccccc23)n1 17219014 LUMJNYMUQYSHKS-DOTOQJQBSA-N 370.796 2.455 50 40 FEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)cc1 5513723 VXAIKNRRGPIVQA-HYARGMPZSA-N 367.405 2.027 50 40 FEGB CC(=O)O[C@@H]1C[C@H](Br)[C@@H](Br)C[C@H]1OC(C)=O 103109523 XXYPEZQMKPVAQY-AXTSPUMRSA-N 358.026 2.171 50 40 FEGB COC(=O)CCC(=O)NNC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 3183447 MYDUZSPIEBQGSE-QGZVFWFLSA-N 366.417 2.093 50 40 FEGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)O 23162822 LITGQGYEIJQBSV-CXUHLZMHSA-N 366.373 2.382 50 40 FEGB COc1ccc(/C(C)=N/NC(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 409142686 CSTYYJYXVDFFAS-VCHYOVAHSA-N 357.322 2.486 50 40 FEGB CN(CC(=O)N/N=C\c1ccco1)S(=O)(=O)c1ccc2ccccc2c1 16187533 OQCKMJOXZWZERL-UNOMPAQXSA-N 371.418 2.204 50 40 FEGB CN1C(=O)/C(=N\NC(=O)c2ccccc2Cl)c2cc([N+](=O)[O-])ccc21 101018865 TZCOQLGZHGEDHA-JXAWBTAJSA-N 358.741 2.359 50 40 FEGB O=C(N/N=C/c1ccc(O)cc1)C(=O)Nc1cccc(Br)c1 58884630 UTEUZCPVUYSDIN-RQZCQDPDSA-N 362.183 2.244 50 40 FEGB CCOc1ccc(C(=O)NNC(=O)c2ccc(NC(C)=O)cc2)cc1OC 12816568 LGQYHXUNBPITSO-UHFFFAOYSA-N 371.393 2.127 50 40 FEGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CCC(=O)c1cccs1 9951307 OJLVZHDOXXRVEB-GFCCVEGCSA-N 371.418 2.198 50 40 FEGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(N)=O 409226766 WRVSVLTXJNTVSP-OQLLNIDSSA-N 365.389 2.413 50 40 FEGB CCS(=O)(=O)[C@@H](I)[C@@H](O)c1ccccc1C 96519283 SFLGRVYPCIYBRP-WDEREUQCSA-N 354.209 2.224 50 40 FEGB CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 672498 TXSBWPCMANWVTL-UHFFFAOYSA-N 370.365 2.408 50 40 FEGB COc1cc(NC(=S)NNC(=O)c2cccnc2)c(OC)cc1Cl 986437 AMPBZYIZWKAKRC-UHFFFAOYSA-N 366.830 2.384 50 40 FEGB CCCCCn1c(=O)c2c(nc3n(CCCl)c(C)c(C)n23)n(C)c1=O 10104426 NZPIHAPSGKBYJF-UHFFFAOYSA-N 365.865 2.195 50 40 FEGB C=CCOc1cccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1 59501690 RWSUPEOTMFGRFP-PXLXIMEGSA-N 351.406 2.060 50 40 FEGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2)c1 59515993 LMKQCRAEELSEEA-VXLYETTFSA-N 361.785 2.446 50 40 FEGB COc1cc(CCC(=O)NNC(=O)c2ccc(C)cc2)cc(OC)c1OC 3555177 LRYZBRYQCCCNBF-UHFFFAOYSA-N 372.421 2.415 50 40 FEGB COc1cc(/C=N\NC(=O)c2ccncc2)cc(Br)c1O 32113225 JEWQUKKWIYZFPE-IUXPMGMMSA-N 350.172 2.322 50 40 FEGB COc1cc(/C=N/NC(=O)CN2Cc3cc(C)c(C)cc3C2)ccc1O 8336788 LTOLNUSGOCKYHN-ZVBGSRNCSA-N 353.422 2.484 50 40 FEGB C#CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OCC 113869440 OWKHECLKFGSEMA-QGZVFWFLSA-N 350.378 2.347 50 40 FEGB Cc1ccc(OCC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c(C)c1 4590797 DKCLQLFZKQFJSZ-UFWORHAWSA-N 371.349 2.469 50 40 FEGB O=C(NNC(=O)c1ccc(Br)cc1Cl)c1cnns1 95947720 WWDZONLPDVQGND-UHFFFAOYSA-N 361.608 2.029 50 40 FEGB COc1cc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Cl)c1O 408919291 VZPHXFSISQOWCN-IDUWFGFVSA-N 365.729 2.432 50 40 FEGB C/C(=N\NC(=O)C(=O)Nc1ccc(C)cc1)[C@H]1Cc2ccccc2C(=O)O1 54292511 DPRXVGYJHUYKPS-NEIHUHTASA-N 365.389 2.207 50 40 FEGB COc1ccc(N2C[C@H](C(=O)N/N=C\c3ccccc3OC)CC2=O)cc1 5513778 BTRUCEUHMCHNLJ-OFNOZLENSA-N 367.405 2.207 50 40 FEGB COc1cccc(NCC(=O)NNC(=O)c2ccc3ccccc3n2)c1 24014550 AROJHBAHHCZHBB-UHFFFAOYSA-N 350.378 2.117 50 40 FEGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CC#N)cc2)cc1 28214256 XEHPCIFBLUDISS-CIAFOILYSA-N 350.378 2.376 50 40 FEGB Cc1ccc(OCC(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1C 6301331 HIYQZYRCHQMBFD-UHFFFAOYSA-N 368.349 2.063 50 40 FEGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cccc(OCC(=O)O)c1 408907305 AWBBWLMWVDVSCL-KEBDBYFISA-N 356.378 2.296 50 40 FEGB COc1cccc(/C=N/NC(=O)c2cccc(F)c2)c1O[C@H](C)C(=O)O 409250768 NWJOJNSXBCUIMJ-JZOCJUILSA-N 360.341 2.450 50 40 FEGB C=C(C)C(=O)O[Si](OC(=O)C(=C)C)(c1ccccc1)c1ccccc1 196715577 VJTNMFMLMIJOFD-UHFFFAOYSA-N 352.462 2.482 50 40 FEGB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NNC(=O)CNc1ccccc1 8729388 KUKHRJUMZALQLS-UHFFFAOYSA-N 363.377 2.124 50 40 FEGB COc1ccc(/C(C)=N\NC(=O)CCn2nnc3ccccc32)cc1OC 4133058 YTHPRLAVPUWLFQ-MOSHPQCFSA-N 367.409 2.379 50 40 FEGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 17075670 SOVISBCURZICPR-STQMWFEESA-N 368.817 2.066 50 40 FEGB COC(=O)[C@H](CCCI)NC(=O)OC(C)(C)C 39160585 UIRGEQFGUBOMIT-QMMMGPOBSA-N 357.188 2.268 50 40 FEGB COc1ccc(O)c(/C=N/NC(=O)c2cccc(Cn3cccn3)c2)c1 1081769 VHOYVCNBCGUHNK-UDWIEESQSA-N 350.378 2.410 50 40 FEGB C/C(=N\NC(=O)CN1CCCC1=O)c1ccc(NC2=NCCCS2)cc1 7814106 YZPWARRHXSFITR-FYJGNVAPSA-N 373.482 2.054 50 40 FEGB COc1ccc(N([C@H](C)C(=O)NN=C2CCCCC2)S(C)(=O)=O)cc1 19953686 SUCMBNCBCXYMKK-CYBMUJFWSA-N 367.471 2.286 50 40 FEGB COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2ccc(N)cc2)cc1OC 32565557 PUQOAQGRHZWVPJ-JJFYIABZSA-N 365.393 2.440 50 40 FEGB COc1ccccc1C(=O)N/N=C/c1cccc(OC)c1O[C@H](C)C(=O)O 6931857 RQAFSJULYNIBLT-ZICWZVMQSA-N 372.377 2.320 50 40 FEGB O=C(N/N=C/c1ccc(O)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 7812976 SJMKMRUBFISVMV-AWQFTUOYSA-N 351.284 2.500 50 40 FEGB Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C)cc1 2064458 YVDLMQCWRXYCBG-UHFFFAOYSA-N 357.435 2.018 50 40 FEGB O=C(NNC1=NS(=O)(=O)c2ccccc21)c1cccc2ccccc12 5604991 VJEVXLMMVAPXLA-UHFFFAOYSA-N 351.387 2.223 50 40 FEGB COc1ccccc1S(=O)(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 47367713 DYCZVFSUAQRGSL-UHFFFAOYSA-N 364.467 2.221 50 40 FEGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 5539076 QDXYJCOHDCVNKX-RGVLZGJSSA-N 353.378 2.179 50 40 FEGB C/C(CC(=O)NCC(C)C)=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1 4420414 SDPRXKZUTZWYEB-CIAFOILYSA-N 366.849 2.241 50 40 FEGB C#CCOc1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1OC 33651180 YXMASIWXOWEPLA-FYJGNVAPSA-N 365.389 2.430 50 40 FEGB NC(=O)COc1ccc(/C=N\NC(=O)c2cccc(-n3cccc3)c2)cc1 408961663 DCTUOTSOUQOMDD-XKZIYDEJSA-N 362.389 2.105 50 40 FEGB CCOC(=O)C1=C(CBr)N(C)C(=O)N[C@H]1c1ccccc1O 2258386 KUBBZVSATIZPAM-ZDUSSCGKSA-N 369.215 2.300 50 40 FEGB CCS(=O)(=O)[C@@H](I)C(=O)c1ccc(F)cc1 96517962 UHRUKTWDDMDTBU-SNVBAGLBSA-N 356.156 2.204 50 40 FEGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccco2)ccc1OCC(N)=O 5652018 SFCHNYXJCKOINK-MDWZMJQESA-N 355.350 2.088 50 40 FEGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1ccco1 59386692 FPKCUJAVLHTETP-MKMNVTDBSA-N 354.116 2.420 50 40 FEGB CCn1c(C)cc2c(c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 2360513 NTAPPLUWQRCKAW-OAHLLOKOSA-N 352.350 2.303 50 40 FEGB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)C1CC1 103918411 WXQFNLLKLPIBPW-WJDWOHSUSA-N 371.397 2.402 50 40 FEGB CC(C)n1nc(C(=O)NNC(=O)C[C@@H]2C=CCC2)c2ccccc2c1=O 13001657 BNPFRSNZNGABRI-CYBMUJFWSA-N 354.410 2.095 50 40 FEGB COc1ccc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)c(OC)c1 409363432 LUWAUPWEDKTHLN-NDENLUEZSA-N 356.378 2.168 50 40 FEGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2sccc2C)cc1 16309165 VNRYPCIMZVHDFZ-YVLHZVERSA-N 365.480 2.136 50 40 FEGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1C 24295730 ZZABZJZMLDENAO-LBPRGKRZSA-N 361.373 2.202 50 40 FEGB Cc1ccc(C)c(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 101313072 AVLSKUNSNOKZRA-YXEAAEFPSA-N 372.899 2.144 50 40 FEGB COc1cc(OC)cc(C(=O)NNC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 3426219 MHASEKYACOHCED-BQYQJAHWSA-N 371.349 2.086 50 40 FEGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(C)o2)c1 3573992 NSGAIDHQZIOQRU-LDADJPATSA-N 363.439 2.382 50 40 FEGB COc1ccccc1CC(=O)NNC(=O)CNc1nc2ccccc2s1 12972842 VNSLCDNSENQVGK-UHFFFAOYSA-N 370.434 2.107 50 40 FEGB COC(=O)COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 408871156 XYPPVWCAXFVYDI-VXLYETTFSA-N 371.349 2.219 50 40 FEGB Cc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)o1 3574085 PLSMUTVZFWKSCP-LDADJPATSA-N 361.423 2.136 50 40 FEGB CCc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3Cl)C2=O)cc1 100129880 NHQYLOUQJNOYSW-INIZCTEOSA-N 371.824 2.469 50 40 FEGB Cc1[nH]c2ccccc2c1C(=O)C(=O)NNC(=O)c1cccc(N(C)C)c1 36834094 YJRPBRSPXUDFSR-UHFFFAOYSA-N 364.405 2.186 50 40 FEGB Cc1[nH]nc(-c2ccc(OCC(=O)NN)cc2O)c1Oc1ccccc1 4786299 JKFZAYBOZGKUDR-UHFFFAOYSA-N 354.366 2.252 50 40 FEGB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NNC(=O)c2ccco2)CC1 7182003 SKFHKBMQZLKSHD-UHFFFAOYSA-N 372.381 2.499 50 40 FEGB Cc1ccccc1N(CC(=O)N/N=C/c1sccc1C)S(C)(=O)=O 20207626 HMQFZSUYZAPETL-LICLKQGHSA-N 365.480 2.281 50 40 FEGB O=C(NNC(=S)NC(=O)c1cc(Cl)ccc1Cl)c1ccncc1 32119153 RCCCRYYBTRUDLY-UHFFFAOYSA-N 369.233 2.338 50 40 FEGB CCn1cc(Br)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)n1 253400758 LSINMLMGQFTONB-GFCCVEGCSA-N 363.215 2.480 50 40 FEGB Cn1cc(C(=O)NNC(=O)c2cccc(C[S@](C)=O)c2)c2ccccc21 25963003 MSEIENZDWONIDL-AREMUKBSSA-N 369.446 2.132 50 40 FEGB Cc1cccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3)CC2=O)c1C 17170492 DIGZQUASLJYWDI-MRXNPFEDSA-N 351.406 2.118 50 40 FEGB Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 3060586 LBZNLVBJDKUXEH-VCHYOVAHSA-N 365.842 2.077 50 40 FEGB CC(C)NS(=O)(=O)C[C@@]1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2Br 15906337 LHRRJWWOLCXNLP-AAXDQBDMSA-N 352.294 2.083 50 40 FEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1)c1ccccc1 19953950 ZVLRYRZRYITSHM-WOJGMQOQSA-N 365.842 2.256 50 40 FEGB Cc1cc(C)cc(OCC(=O)NC(=S)NNC(=O)c2cccs2)c1 32119155 JAXGUONDIHYSRO-UHFFFAOYSA-N 363.464 2.079 50 40 FEGB O=C(NNS(=O)(=O)c1ccc2c3c(cccc13)CC2)c1ccc(O)cc1 226861164 OWUKNHBVWBHWPH-UHFFFAOYSA-N 368.414 2.267 50 40 FEGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1OC 849759 WHGJTTKROIGINR-OAHLLOKOSA-N 374.393 2.357 50 40 FEGB Cc1ccc(C)c(OCC(=O)N/N=C\c2ccccc2OCC(=O)O)c1 4714512 MEJQPTYBAPNFPJ-JMIUGGIZSA-N 356.378 2.296 50 40 FEGB CC1=C(C(=O)OC(C)(C)C)[C@]2(C(=O)N(C)c3ccccc32)C(C#N)=C(N)O1 1243256 OUCLONUIXIGXIR-HXUWFJFHSA-N 367.405 2.241 50 40 FEGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2C)[C@@H](C#N)C(=O)N1 2293710 IBBIGCIHYJLWSJ-CZUORRHYSA-N 355.419 2.380 50 40 FEGB C[C@H]1CN(c2ncc(/C=N/NC(=O)c3ccccc3O)s2)C[C@@H](C)O1 13132659 XFRQGTAEGQNQDK-FLHXSLHVSA-N 360.439 2.226 50 40 FEGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(COC)c32)ccc1OC 1065590 BLYHPDHZNDSAJZ-OAHLLOKOSA-N 356.382 2.182 50 40 FEGB CCCCOc1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 102198904 PYGNXAANFMXGPR-DIECFANBSA-N 372.421 2.149 50 40 FEGB COC(=O)N1CC=C2[C@H](C1)[C@H](c1cccc(C)c1)C(C#N)=C(N)C2(C#N)C#N 4473590 ZQSHQNSCVIUNIC-FUHWJXTLSA-N 373.416 2.487 50 40 FEGB CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccccc1 6828364 YHVFPSKSZWULNS-NIQDBXHUSA-N 367.405 2.320 50 40 FEGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)Cc2ccccc2OC)cc1 18070651 BGGGYQOJGFTEKR-AWEZNQCLSA-N 372.421 2.251 50 40 FEGB CC(C)c1noc2ncc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cc12 8747683 UYYZCGJPKNLFJI-UHFFFAOYSA-N 369.337 2.329 50 40 FEGB NC(=O)N/N=C(\C[C@H]1OC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 5824044 DAEVJUKONCBJKM-WBFOAEISSA-N 354.322 2.269 50 40 FEGB O=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1ccc2c(c1)OCO2 1949167 VLPICJBOHQAQPS-KEBDBYFISA-N 357.341 2.423 50 40 FEGB O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)[C@@H]1CCCc2ccccc21 32759218 WWIIPHLBEISGCR-OAHLLOKOSA-N 369.377 2.241 50 40 FEGB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)no1 1586114 UTWDAVOXFZOSIR-UHFFFAOYSA-N 358.807 2.144 50 40 FEGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)NC1CCC(O)CC1 42962206 VQLGPZXHGRIREE-IGEOTXOUSA-N 371.437 2.241 50 40 FEGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccccc1[N+](=O)[O-] 408599389 UAHYYZWIAWEXRW-WOJGMQOQSA-N 368.305 2.279 50 40 FEGB O=C(CNc1cccc(Br)c1)N/N=C/c1ccc(O)cc1O 849652 WJVCUNLOAYMRHP-QGMBQPNBSA-N 364.199 2.423 50 40 FEGB CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2O)s1 408730869 JRQNLLXCZXZIRW-LICLKQGHSA-N 361.427 2.065 50 40 FEGB CCS(=O)(=O)[C@@H](I)[C@H](O)c1ccccc1F 96519273 GCYQTOAWXMUJSS-NXEZZACHSA-N 358.172 2.055 50 40 FEGB COc1cc(C(=O)NNC(=O)/C=C/c2ccccc2)cc(OC)c1OC 3293782 WQRZPVNTEUAGBP-MDZDMXLPSA-N 356.378 2.187 50 40 FEGB Cc1ccc(/C=N/NC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1 680260 NKWVRMJKYGSHGZ-GIJQJNRQSA-N 354.439 2.292 50 40 FEGB CCC(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 2064448 QIIKDCOMYRWXTF-UHFFFAOYSA-N 357.435 2.311 50 40 FEGB CN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c2ccccc21 2337524 ZQOGBFORHPKJEH-NRFANRHFSA-N 371.352 2.142 50 40 FEGB Cc1cc(C)c[n+](-c2[nH]c(=O)sc2/C=N/NC(=O)c2ccccc2)c1 13739427 SCMOFRBVWJZFEQ-UHFFFAOYSA-O 353.427 2.094 50 40 FEGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1O 408905505 AZBIBWNFZJAKKO-UOEVCUDDSA-N 355.394 2.200 50 40 FEGB Cc1cc(N(CCCl)CCCl)ccc1/C=N\Nc1nncn1N 1569755 MHPJBQVYWZUCJE-NVMNQCDNSA-N 356.261 2.030 50 40 FEGB COc1ccc(/C=N/NC(=O)COc2c(OC)cccc2OC)cc1OC 1809770 POMQBOLACLXUBM-RGVLZGJSSA-N 374.393 2.250 50 40 FEGB COc1ccc(C(=O)N/N=C(\C)c2ccc(OC)c([N+](=O)[O-])c2)c(O)c1 409392935 UGCPHKUZTWGILQ-VCHYOVAHSA-N 359.338 2.472 50 40 FEGB COc1ccccc1OCC(=O)N/N=C\c1ccc(O[C@H](C)C(=O)O)cc1 208351211 QMGGGVQQEWOFOC-RBFBNPFJSA-N 372.377 2.076 50 40 FEGB CC1=C(C(=O)OCC(C)C)[C@@]23C(=O)c4ccccc4[C@@]2(O1)OC(N)=C3C#N 100590337 BYHDZUGZPZTKLS-VQTJNVASSA-N 366.373 2.250 50 40 FEGB COc1ccc(N([C@H](C)C(=O)N/N=C(\C)C(C)(C)C)S(C)(=O)=O)cc1 5205698 PCDHFQXTBRQNPE-SLDGYZHNSA-N 369.487 2.388 50 40 FEGB COc1ccccc1-c1c(-c2ccc(OCC(=O)NN)cc2O)n[nH]c1C 8772066 LDTNVNGUNKZNGW-UHFFFAOYSA-N 368.393 2.135 50 40 FEGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccco2)c([N+](=O)[O-])c1 100510103 KSCZPBXYNMTGRS-VCHYOVAHSA-N 360.326 2.331 50 40 FEGB O=C(Cl)Cc1ccccc1-c1nn2c(CC(=O)Cl)nnc2s1 100677365 ALEQXOKFFLCTLW-UHFFFAOYSA-N 355.206 2.469 50 40 FEGB O=C(NNc1ncccn1)[C@@H]1CCN(C[C@@H]2CCCc3ccccc32)C1 108392266 UWXZNHSPEFPDJA-DLBZAZTESA-N 351.454 2.362 50 40 FEGB Cc1ccc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)c(C)c1 7907367 HLEVSXIEPQHQHC-UHFFFAOYSA-N 357.435 2.418 50 40 FEGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3C)CC2=O)cc1C 408614935 JZRJCBZNYWIUSF-INIZCTEOSA-N 365.433 2.426 50 40 FEGB CC1=C(C(=O)OC(C)C)[C@@]2(C(=O)Nc3ccc(Cl)cc32)C(C#N)=C(N)O1 850927 CIDMINHNQMIHTI-SFHVURJKSA-N 373.796 2.480 50 40 FEGB Cc1cc2c(c(=O)n1CCO)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 4851057 IZBCRWAWLCTJJC-OAHLLOKOSA-N 357.797 2.021 50 40 FEGB COc1ccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)cc1Cl 40177549 RHDHTPSSCSNEOS-JTQLQIEISA-N 352.239 2.108 50 40 FEGB COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cn1 18053380 PISAMUYTMPXOPX-CYBMUJFWSA-N 365.389 2.472 50 40 FEGB CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1 102198863 GAYMGQARULLISQ-SDADXPQNSA-N 358.438 2.492 50 40 FEGB CCc1ccc2[nH]c(=O)c([C@@H]3C(C#N)=C(N)OC(C)=C3C(=O)OC)cc2c1 876485 DEUOZJYGLLYSTE-QGZVFWFLSA-N 365.389 2.345 50 40 FEGB Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@H](c1ccco1)C(C#N)=C(N)O2 4283155 CUHQJIDVLOUJRZ-LRDDRELGSA-N 353.378 2.147 50 40 FEGB CC(=O)c1c(NNC(=O)COc2ccc(Cl)cc2)oc(C)cc1=O 4614774 ZKQMJXMQZJJOFS-UHFFFAOYSA-N 350.758 2.326 50 40 FEGB CN(C1=NS(=O)(=O)c2ccccc21)c1ccc(OC(=O)CCl)cc1 59417244 MONBYUMKLSWUOS-UHFFFAOYSA-N 364.810 2.416 50 40 FEGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3F)CC2=O)cc1C 408616031 UZQACNXHMLOSIU-CQSZACIVSA-N 369.396 2.257 50 40 FEGB CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(OC)cc1OC 59435530 ZGZNUHVTQSDFCI-UDWIEESQSA-N 371.393 2.191 50 40 FEGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1c(O)ccc2ccccc12 4703051 OTCGHDSIFFLOBC-OEAKJJBVSA-N 361.401 2.354 50 40 FEGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccccc1F 409240238 GALJBNYBAHUEIU-FYJGNVAPSA-N 357.385 2.435 50 40 FEGB CCCN1C(=O)/C(=N/NC(=O)c2ccc3c(c2)OCO3)c2ccccc21 18285982 BZXBSQUAGHODLO-LVZFUZTISA-N 351.362 2.306 50 40 FEGB N#Cc1ccc(C(=O)N/N=C\c2cc3c(cc2[N+](=O)[O-])OCO3)c(F)c1 408966636 MOWFPWMBQHBIAX-GXHLCREISA-N 356.269 2.098 50 40 FEGB O=C(CN1CCOCC1)N/N=C\c1ccccc1OCc1ccc(F)cc1 36104470 RWBZSULNVIXJGM-XKZIYDEJSA-N 371.412 2.187 50 40 FEGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(F)cc3)CC2=O)cc1F 41873615 DEFXGYUUIRTKCD-CYBMUJFWSA-N 373.359 2.087 50 40 FEGB Cn1/c(=N\NC(=O)Cn2ccc(=O)c3ccccc32)sc2ccccc21 103912606 DYRFRGFCIFAEPV-XUTLUUPISA-N 364.430 2.187 50 40 FEGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cccc(OC)c1 14134351 WNXYIJQXUWQLJY-XDHOZWIPSA-N 353.334 2.379 50 40 FEGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 15348102 XYKXKBWGESCVSM-UHFFFAOYSA-N 367.365 2.348 50 40 FEGB CC[C@H](C)C(=O)NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 23450294 MUIZXJVOMFJBSX-VIFPVBQESA-N 370.331 2.404 50 40 FEGB C/C(=N\NC(=O)Cc1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2 409365804 SEHLNXFHGBEUKA-FYJGNVAPSA-N 368.389 2.312 50 40 FEGB CCC1=C(C(=O)OC)[C@H](c2ccc(OC)c(OC)c2OC)C(C#N)=C(N)O1 706898 BOIKRELVIQJSKL-CQSZACIVSA-N 374.393 2.357 50 40 FEGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)Cc2ccccc2)c1[N+](=O)[O-] 3212240 HIDJNADEJFXUHH-YBFXNURJSA-N 371.349 2.222 50 40 FEGB O=C(NNC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)C1CC1 26969901 HPDRGODOXPIUNK-INIZCTEOSA-N 365.433 2.249 50 40 FEGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1OC 2325581 MUCSWNVRALKJAQ-KRWDZBQOSA-N 367.405 2.319 50 40 FEGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1cccc(C(=O)O)c1 408833771 YDTMXANLQFOJAG-VIZOYTHASA-N 352.346 2.365 50 40 FEGB COc1ccc(CC(=O)N/N=C/c2cc([N+](=O)[O-])c(OC)cc2OC)cc1 408726994 WSVPMTKJJAJTGD-YBFXNURJSA-N 373.365 2.313 50 40 FEGB CCCCOc1ccc(/C=N\NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc1 408600356 BSNFSOYGWNJPSM-GRSHGNNSSA-N 359.386 2.429 50 40 FEGB CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(OC)ccc2OC)cc1 13923291 SJVAOFAKXCJPBA-UDWIEESQSA-N 371.393 2.191 50 40 FEGB Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3cn(C)nc3C)cc2)n1 6189230 NDHIZUCOUUPFET-KEBDBYFISA-N 350.426 2.354 50 40 FEGB O=C(N/N=C/c1cc(I)ccc1O)c1cccnc1 3157448 RHYPTDNBSDGKMO-LZYBPNLTSA-N 367.146 2.156 50 40 FEGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c1OC 59515413 NCUWRRSHVUICHX-VXLYETTFSA-N 361.785 2.446 50 40 FEGB Cn1c(CC(=O)NNC(=O)c2ccc3ccccc3n2)nc2ccccc21 5268690 CMKQQROZNLHATO-UHFFFAOYSA-N 359.389 2.125 50 40 FEGB C/C(=N\NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccccc1 408922516 OTYSIKVOXFCFTF-WBFOAEISSA-N 359.451 2.382 50 40 FEGB CC1CCC(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)CC1 408676116 ABICNYHVWVXPPS-SUVVRIMASA-N 356.260 2.252 50 40 FEGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3)CC2=O)cc1Cl 7881788 VVEVCRFMKKJLNO-AWEZNQCLSA-N 371.824 2.463 50 40 FEGB COc1cc(C(=O)NNC(=O)c2cccc(C)c2C)cc(OC)c1OC 2634109 QIZFZMVYEKTOHK-UHFFFAOYSA-N 358.394 2.404 50 40 FEGB CCOc1ccc(/C=N/NC(=O)c2nn(-c3ccccc3)cc2O)c(O)c1 21322500 WEYHQRLNZKTPTE-RGVLZGJSSA-N 366.377 2.446 50 40 FEGB O=C(NNC(=O)c1ccc(Br)s1)c1ccc2c(c1)OCO2 7652818 MBOSJKFZEWPYFC-UHFFFAOYSA-N 369.196 2.314 50 40 FEGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc3c(c2)OCCO3)n1 8336700 WMDCQNBZFJZBEM-GIJQJNRQSA-N 358.423 2.107 50 40 FEGB C[C@@H](C(=O)NN=Cc1ccc(N(C)C)cc1)n1cnc2ccccc2c1=O 8700880 RDINNYAYJURHET-AWEZNQCLSA-N 363.421 2.174 50 40 FEGB CC(C)Oc1ccc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c(O)c1 38534931 GIZLDAHJLDDAMJ-ZVBGSRNCSA-N 371.393 2.470 50 40 FEGB Cc1occc1C(=O)NNC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 40023837 HBCAQAFUECDKLJ-AWEZNQCLSA-N 370.409 2.293 50 40 FEGB CC1=C(C#N)C(=O)NC(=O)/C1=C\c1c(C)nn(-c2ccc(Cl)cc2)c1O 5536107 MRNLJXFFDTZATL-QPEQYQDCSA-N 368.780 2.420 50 40 FEGB CCCc1cc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cs1 102207941 OELIUHSQZBEFSD-ZNIXKSQXSA-N 350.440 2.209 50 40 FEGB CC[C@H](NNC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1cc(C)on1 32853655 APQMOLKKTXDFGE-ZDUSSCGKSA-N 350.806 2.217 50 40 FEGB Cc1cc2c(c(=O)n1CCN(C)C)[C@H](c1ccccc1F)C(C#N)=C(N)O2 2710000 VAGWSKFLSVQOSQ-QGZVFWFLSA-N 368.412 2.076 50 40 FEGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1 8114305 UVJFQLDCQLJZMW-DEDYPNTBSA-N 367.361 2.308 50 40 FEGB Cc1c(C)[n+]([O-])c2c([n+]1[O-])[C@@H](Br)CC[C@@H]2Br 2282336 GTNBKVGTXZRNRF-YUMQZZPRSA-N 352.026 2.236 50 40 FEGB Cc1cc(C)cc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 101309467 PLGZHUYDZGYSFG-LTUGMUNRSA-N 372.899 2.144 50 40 FEGB O=C(COC(=O)C1(c2ccc(F)cc2)CCC1)NNC(=O)c1ccccc1 45860256 UIUDSDPQKCSNQD-UHFFFAOYSA-N 370.380 2.252 50 40 FEGB O=C(NNC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 14049479 BGLBBPDACXNECW-UHFFFAOYSA-N 369.312 2.199 50 40 FEGB O=C(N/N=C/c1ccc(N2CCOCC2)s1)c1ccc([N+](=O)[O-])cc1 3230152 DPGKSGJGLJIISC-GZTJUZNOSA-N 360.395 2.257 50 40 FEGB CC(C)C(=O)NNC(=O)Cn1c(COc2ccccc2)nc2ccccc21 25955259 AABLVTBZWRBJID-UHFFFAOYSA-N 366.421 2.419 50 40 FEGB CCN1CCN(C(=O)[C@@]23CC[C@](C)(C(=O)[C@@H]2Br)C3(C)C)CC1 100868361 DHRDDRIHTXQAJH-JCURWCKSSA-N 371.319 2.309 50 40 FEGB Cc1cc(/C=C(\C#N)C(=O)NC2=NCCS2)c(C)n1C[C@@H]1CCCO1 96297600 UKVBNMHTBGITRC-LRQZKABGSA-N 358.467 2.410 50 40 FEGB O=C(NNC(=O)c1ccccc1-n1cccn1)c1cc(Br)c[nH]1 40144388 VBKNOMSZAYRGHW-UHFFFAOYSA-N 374.198 2.038 50 40 FEGB C[C@@H]1CC(=O)N(C)c2ccc([N+](=O)[O-])cc2N1C(=O)CCBr 5515757 YKDPTDGZMREDJD-SECBINFHSA-N 370.203 2.468 50 40 FEGB CCCc1cc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)cs1 102220769 FJCJOGAMRAYXOZ-AZHAFVHUSA-N 362.451 2.375 50 40 FEGB Cn1cc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)c2ccccc21 3080157 SSCHPVQAJCSDCM-LSHDLFTRSA-N 352.369 2.198 50 40 FEGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)/C(C#N)=C(/C)N)c1C 104777544 OAXSAFSWLPIKQL-MKTILFRLSA-N 354.410 2.291 50 40 FEGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccccc1OCC(=O)O 1268846 MLZHRFFBMDQZNY-KEBDBYFISA-N 356.378 2.296 50 40 FEGB CC(C)N1C(=O)/C(=N\NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 100085889 LFWSKCUVXANQCT-VVDBFAKWSA-N 365.389 2.102 50 40 FEGB Cc1ccc(S(=O)(=O)NC[C@@H](Br)CBr)cc1 1678309 QUIODLQKTBIIKM-VIFPVBQESA-N 371.094 2.432 50 40 FEGB CCCCCCCC(=O)NNC(=O)c1c(O)n(C)c2ccccc2c1=O 2059151 XHTRYGHNLUSGPD-UHFFFAOYSA-N 359.426 2.366 50 40 FEGB COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1 4838879 VZZGLGIEVSJJQX-UHFFFAOYSA-N 361.785 2.057 50 40 FEGB COc1ccc(OC)c(-c2cc(C(=O)NN)nn2-c2cccc(C)c2)c1 59472521 HQDQCDNMFOLDNB-UHFFFAOYSA-N 352.394 2.468 50 40 FEGB N#C/C(=C\c1cc(Br)ccc1O)C(=O)NC[C@@H]1CCCO1 3414236 ALRFVOZIDNIWFB-VKUYVZBCSA-N 351.200 2.357 50 40 FEGB NC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 409379718 ZQEYCQHGXMUAFP-DNTJNYDQSA-N 364.764 2.499 50 40 FEGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1cccc(Br)c1 1095436 QBQGERVRPMBNDQ-OMCISZLKSA-N 366.175 2.013 50 40 FEGB CCn1c(SCC(=O)NNC(=O)c2ccccc2)nnc1-c1ccco1 1368476 KZRFYDDZBJWANZ-UHFFFAOYSA-N 371.422 2.111 50 40 FEGB C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)c1ccc(O)cc1O 100923107 YCQPFFSGEPDNNI-VXLYETTFSA-N 372.337 2.141 50 40 FEGB C=CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1 20029537 CJDMOIJFLXDRSX-KRWDZBQOSA-N 369.446 2.330 50 40 FEGB CCOC(=O)[C@@](O)(c1ccc(NC(=O)CCl)c(C)c1)C(F)(F)F 2286380 WPIOUYWSJMPSME-ZDUSSCGKSA-N 353.724 2.485 50 40 FEGB N#C/C(=C\c1c(Oc2ccccc2F)nc2ccccn2c1=O)C(N)=O 4205450 HTOBUMGDQGWQRY-PKNBQFBNSA-N 350.309 2.018 50 40 FEGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OCC(=O)O)cc2)cc1 408711989 UHPOJLPARJZFNI-NDENLUEZSA-N 356.378 2.242 50 40 FEGB C=CCNC(=S)NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C 17075952 ZBAXPADWEQREGK-UHFFFAOYSA-N 370.482 2.018 50 40 FEGB CC(=O)O[C@H](C(Cl)Cl)[C@@H]1O[C@H](OC(C)=O)[C@H](C(Cl)Cl)O1 104210501 LUOZBBXRCMBWDB-HAYUDISJSA-N 370.012 2.156 50 40 FEGB CN1C(=O)[C@@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CCCC[C@H]32)c2ccccc21 4102759 PEZJSTDHNRFYFO-SPLOXXLWSA-N 355.401 2.411 50 40 FEGB C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccccn1 6507854 ONFHZHKPXDHPAR-JTQLQIEISA-N 364.199 2.073 50 40 FEGB C#CCOc1cccc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)c1 409362678 JTDAQESNJRBJIT-STZFKDTASA-N 350.374 2.163 50 40 FEGB CC1CCC(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)CC1 408676112 ABICNYHVWVXPPS-NWXRTLDRSA-N 356.260 2.252 50 40 FEGB O=C(N/N=C/c1ccc(I)o1)c1ccccc1O 3141270 QCZOCHLILJABER-VGOFMYFVSA-N 356.119 2.354 50 40 FEGB CC(=O)O[C@@H]1C[C@H](Br)[C@H](Br)C[C@H]1OC(C)=O 712547 XXYPEZQMKPVAQY-UTINFBMNSA-N 358.026 2.171 50 40 FEGB COc1ccc(C(=O)NNC(=O)c2ccoc2C)cc1Br 955288 MUHHMPQABSABBG-UHFFFAOYSA-N 353.172 2.434 50 40 FEGB COc1cc(OC)c(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)c(OC)c1 6562967 USTRZIXXRICEEZ-RGVLZGJSSA-N 371.393 2.435 50 40 FEGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc2c(c1)n(C)c(=O)n2C 4691455 RKWVTQCBMCAHLQ-GXDHUFHOSA-N 362.389 2.431 50 40 FEGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=S)NC[C@H]1CCCO1 6645040 IHXWCWCITAMWMA-GNFNDJEDSA-N 351.516 2.267 50 40 FEGB COc1ccc(COC(=O)C2=C(CCl)CS[C@@H]3C(N)=C([O])N23)cc1 1560410027 OLTXCTZUKPFZMD-OAHLLOKOSA-N 367.834 2.178 50 40 FEGB Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 5580753 GQALNQDYFMCIPQ-KGLIPLIRSA-N 360.757 2.013 50 40 FEGB NNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 5604140 YPKJWDIMRCNKDO-UHFFFAOYSA-N 374.249 2.179 50 40 FEGB CCOc1ncccc1C(=O)NNC(=O)COc1ccc(Cl)cc1C 14139162 KTUAQPUSUSPDMP-UHFFFAOYSA-N 363.801 2.282 50 40 FEGB CCC(=O)NNC(=O)CSc1nc2cc3c(cc2cc1CC)OCO3 4849565 INYMXCSWLTWTRS-UHFFFAOYSA-N 361.423 2.175 50 40 FEGB COc1ccc(OC)c(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)c1 409366625 XFXGQZCYPHAJGQ-NDENLUEZSA-N 356.378 2.168 50 40 FEGB CC1=C(C(=O)OC(C)C)[C@@]2(C(=O)Nc3cccc(C)c32)C(C#N)=C(N)O1 8748380 JJFXOMLHNYLUIJ-LJQANCHMSA-N 353.378 2.135 50 40 FEGB Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccccc3O)ccc12 1254946 UOCMOACDAUPYOD-KEBDBYFISA-N 352.346 2.336 50 40 FEGB COc1cc(OC)cc(C(=O)NNC(=O)COc2cccc(C)c2C)c1 2660683 MKAOYJWPABGDCJ-UHFFFAOYSA-N 358.394 2.161 50 40 FEGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C3(CCN(CC)CC3)[C@H]2C1 20046089 UARQCNKEXLABBE-SFHVURJKSA-N 364.497 2.140 50 40 FEGB O=C(NNC(=O)c1cccc(O)c1)c1ccc(N2CCCCCC2)nc1 29763147 KFVSXJZAARMCLN-UHFFFAOYSA-N 354.410 2.242 50 40 FEGB O=C(CSc1ncccn1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 408839688 CATUVOHVTUABKI-REZTVBANSA-N 351.775 2.281 50 40 FEGB CS(=O)(=O)[C@@H](Br)[C@@H](O)c1ccc(Br)cc1 96518995 IEFNYPMLESCPFB-DTWKUNHWSA-N 358.051 2.248 50 40 FEGB COCc1nc2c([nH]1)N(c1ccccc1)C(N)=C(C#N)C21CCOCC1 5489737 HBDIRVMMVOZMAQ-UHFFFAOYSA-N 351.410 2.450 50 40 FEGB COCCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)CC(=O)N1 6477684 CDEINWIWTFPSCH-OAHLLOKOSA-N 373.478 2.220 50 40 FEGB O=C(N/N=C/c1cccc(O)c1)C1CCN(C(=O)c2ccccc2)CC1 409005671 JIDPBLAGQWZHHQ-KGENOOAVSA-N 351.406 2.395 50 40 FEGB O=C(NNC(=S)Nc1cccc2ncccc12)c1cc(O)ccc1O 1616040327 GOJMTCOPKYFIGV-UHFFFAOYSA-N 354.391 2.277 50 40 FEGB Cc1cccc(OCC(=O)N/N=C/c2ccccc2OCC(=O)O)c1C 830858 HERHNPPMZDNNMR-KEBDBYFISA-N 356.378 2.296 50 40 FEGB CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccccc1 5005242 ZCKAJUVJSSKYJL-BSTRVPIWSA-N 363.417 2.115 50 40 FEGB CCOc1ccccc1OCC(=O)N/N=C/c1cc(O)ccc1[N+](=O)[O-] 20100825 IJKWXCZPYUKTIM-VCHYOVAHSA-N 359.338 2.228 50 40 FEGB CCCCOc1ccc(C(=O)NNC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 2110216 PYGNXAANFMXGPR-OHFALNGGSA-N 372.421 2.149 50 40 FEGB Cc1cc(C(=O)NNC(=O)CCNC(=O)C2CCCC2)c2ccccc2n1 58867522 QWAYTHBIFGSDSV-UHFFFAOYSA-N 368.437 2.001 50 40 FEGB Cc1nnc(SCC(=O)NNC(=O)c2ccccc2)n1-c1ccccc1 3409683 VIGGHEDZAMGZAA-UHFFFAOYSA-N 367.434 2.129 50 40 FEGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@]12C(=O)Nc1ccccc12 5052133 FCBAZMGDHRJAGU-FQEVSTJZSA-N 355.357 2.401 50 40 FEGB Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2Br)o1 4361239 APJBTXZTHLEWTN-QGMBQPNBSA-N 364.199 2.231 50 40 FEGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)[C@@H]2COc3ccccc3O2)c1 4520246 UZCYZJYFNCTQMA-IUOVYFEOSA-N 353.378 2.325 50 40 FEGB Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N(C)CC(N)=O)c1C 95350358 XLMKAPXRCZGJNI-LICLKQGHSA-N 350.422 2.253 50 40 FEGB Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 408616072 VKKCBAHECNGBGJ-QGZVFWFLSA-N 365.433 2.426 50 40 FEGB CCOc1ccc(/C=C(/C#N)C(=O)NC)cc1I 33643398 OYGONUNXCAGEOS-POHAHGRESA-N 356.163 2.343 50 40 FEGB COc1cc(CC(=O)N/N=C/c2ccc(O)cc2)c([N+](=O)[O-])cc1OC 1498247 MLNGRLGXDZIKTR-VCHYOVAHSA-N 359.338 2.010 50 40 FEGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(COC)c32)ccc1OC 1065593 BLYHPDHZNDSAJZ-HNNXBMFYSA-N 356.382 2.182 50 40 FEGB Cc1cccc(CNC(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)c1 32795050 AZDKWJBZIJHQLG-UHFFFAOYSA-N 367.384 2.464 50 40 FEGB Cc1ccc(C(=O)CCC(=O)NNC(=O)COc2ccccc2C#N)cc1 7652728 HLCRNQJODJXAJY-UHFFFAOYSA-N 365.389 2.056 50 40 FEGB CCC[C@@H](CCC(=O)NNC(=O)c1ccccc1Br)C(=O)O 2356286 DKQYHFJKPVIUBC-JTQLQIEISA-N 371.231 2.491 50 40 FEGB Cc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1 105393959 KEYLOFGZRJMVRC-PDGQHHTCSA-N 351.472 2.039 50 40 FEGB CCCn1nc(C(=O)NNC(=O)C2CCCCC2)c2ccccc2c1=O 7723963 PZGQXQKAGDHAIE-UHFFFAOYSA-N 356.426 2.148 50 40 FEGB C/C(=N\NC(=O)NC[C@H]1CCCO1)c1ccc(NC(=O)NC(C)C)cc1 84620572 SLQZJSBDXUWUJG-QLPFJNHISA-N 361.446 2.419 50 40 FEGB O=C(CCC1CCCC1)NNC(=O)CCN1CCN(c2ccccc2)CC1 8747676 IEVQGRRKPKCWPM-UHFFFAOYSA-N 372.513 2.317 50 40 FEGB Cc1c(C(=O)N/N=C/c2ccc3c(c2)OCO3)sc2ncnc(N)c12 408973208 KGRZWOHLLYZYJS-DENHBWNVSA-N 355.379 2.075 50 40 FEGB Cc1cccc(NCC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1 3060383 JNQHYZGSQXABNN-UFWORHAWSA-N 356.338 2.194 50 40 FEGB CCOC(=O)Cn1cc(/C=N/NC(=O)c2ccncc2)c2ccccc21 6318981 WPOGNDGAQFFSSO-SRZZPIQSSA-N 350.378 2.363 50 40 FEGB CC(C)OC(=O)[C@@H]1/C(=N/NC(=O)CC#N)C[C@](C)(O)C[C@@H]1c1ccccc1 100249734 NDLPWJOXTYXKLK-WHAAVDRLSA-N 371.437 2.269 50 40 FEGB Cn1ncc(Br)c1C(=O)N/N=C/c1cc(Cl)ccc1O 676164 JKPCPCVZMHCWGV-PJQLUOCWSA-N 357.595 2.306 50 40 FEGB Cc1cc2c(cc1Cl)SC(NNC(=O)c1ccco1)=NS2(=O)=O 1638039 CNINHRAQRJLVOU-UHFFFAOYSA-N 371.827 2.326 50 40 FEGB Cc1cccc(C(=O)NCCC(=O)NNC(=O)c2ccc3c(c2)CCC3)c1 9483658 MDRRIZXFNSJNIO-UHFFFAOYSA-N 365.433 2.065 50 40 FEGB C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)c1ccc(NC(=O)CC#N)cc1 8489124 PTYKCMMSULPQRQ-DOMZBBRYSA-N 373.482 2.226 50 40 FEGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@H]1CCc2cn[nH]c2C1 72302676 GFELBTHYAQLBDJ-XACAWQSSSA-N 356.470 2.269 50 40 FEGB CCc1ccccc1N(CC(=O)N/N=C/c1cccs1)S(C)(=O)=O 409183636 FDOVERAUHFBLHA-GZTJUZNOSA-N 365.480 2.227 50 40 FEGB C/C(=N\NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1cccs1 408906845 JBKHKZXPEDSQLY-LVLBFHFTSA-N 365.480 2.443 50 40 FEGB COc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)c(OC)c1 408566909 JCMZBJMYWSTLEY-VCHYOVAHSA-N 359.338 2.385 50 40 FEGB Cc1ccc(S(=O)(=O)NC[C@H](Br)CBr)cc1 6487497 QUIODLQKTBIIKM-SECBINFHSA-N 371.094 2.432 50 40 FEGB COC(=O)Cn1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c2ccccc21 9704014 MNIGMBDNGHTLRY-KRWDZBQOSA-N 363.377 2.064 50 40 FEGB Cc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)/C=C/c1ccccc1 2187998 IMRVTMPSFQNIDT-ZHACJKMWSA-N 357.797 2.448 50 40 FEGB COc1ccc(/C(C)=N\NC(=O)[C@H](c2ccncc2)N2CCOCC2)cc1 20029313 CLWSQWHDYDXBLE-UQRWVXEISA-N 368.437 2.004 50 40 FEGB O=C(NCCc1c[nH]c2ccccc12)NNC(=O)c1ccc2c(c1)OCO2 24923490 JADXDVIHWMQGBR-UHFFFAOYSA-N 366.377 2.083 50 40 FEGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 59515457 VCDZXTXFMFTIOQ-VXLYETTFSA-N 360.757 2.015 50 40 FEGB Nc1ccccc1C(=O)N/N=C/c1cc(Br)c(O)cc1O 6080008 HQRCCFMUADYGBH-REZTVBANSA-N 350.172 2.206 50 40 FEGB C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccccn1 6507855 ONFHZHKPXDHPAR-SNVBAGLBSA-N 364.199 2.073 50 40 FEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc2c(c1)OCO2 5675300 HXOZFRYCFZATLE-QGMBQPNBSA-N 373.321 2.105 50 40 FEGB Cc1cc(C(=O)NNC(=O)[C@H](NC(=O)C2CCCCC2)C(C)C)c(C)o1 8728780 TYLYIVCEXYWKBV-MRXNPFEDSA-N 363.458 2.379 50 40 FEGB CC(=O)NNc1nc(-c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)cs1 9751173 RGPRWDWOBQXCNV-LBPRGKRZSA-N 368.484 2.051 50 40 FEGB Cc1ccc(NCC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 889191 ZHAAJZAKGUTABG-UFWORHAWSA-N 356.338 2.194 50 40 FEGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)cc1OC 59459664 ARBXNDGNCZBCOR-VXLYETTFSA-N 361.785 2.446 50 40 FEGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)NCc1ccccc1 6451827 UEYCVKYMNRWPQS-PXNMLYILSA-N 364.357 2.182 50 40 FEGB O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NC1CCCC1 4525744 IWFQOIPNFUISTI-ODLFYWEKSA-N 370.365 2.364 50 40 FEGB Cc1cc(CC(=O)NNC(=O)c2cc3c(s2)-c2ccccc2OC3)[nH]n1 8725651 NBYQZMFPZJAQEZ-UHFFFAOYSA-N 368.418 2.343 50 40 FEGB Cn1c(SCC(=O)N/N=C/c2cccc(O)c2)nnc1-c1ccccc1 2314072 QANCINOHHMZLES-YBFXNURJSA-N 367.434 2.430 50 40 FEGB CN(C)c1ccc([C@H]2C(C#N)=C(N)O[C@@H]3NN=C(C(F)(F)F)[C@@H]32)cc1 5334412 HRYCYMTWOQECOC-HUBLWGQQSA-N 351.332 2.024 50 40 FEGB CNS(=O)(=O)c1ccc(N/C=C(/C=O)c2nc3ccccc3o2)cc1 5738095 YXYMCNFBIZZTHK-BENRWUELSA-N 357.391 2.388 50 40 FEGB COC(=O)COc1ccc(/C=N/NC(=O)CC2(C)SCCS2)cc1 409270320 PGQDTHWJIMUKJC-LICLKQGHSA-N 368.480 2.275 50 40 FEGB CCOC(=O)Cn1c(C)c(/C=C(\C#N)C(=O)NCCOC)c2ccccc21 408861817 DKEKGLSUPZZOGC-RVDMUPIBSA-N 369.421 2.182 50 40 FEGB Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1C[C@H]1CCCO1 41778710 GRIRHAVTEFCIGT-QKECMBSUSA-N 357.454 2.486 50 40 FEGB CC(C)(CC(=O)O)CC(=O)NNC(=O)CSc1ccc(Cl)cc1 32873874 QXPFLFBUVAYGLK-UHFFFAOYSA-N 358.847 2.471 50 40 FEGB CN(C)N(C(=O)c1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 8848370 ZULJIEPMCRYCSN-LBPRGKRZSA-N 351.255 2.099 50 40 FEGB CCOc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])ccc1O 39976932 IPMUZUIAFNMIPQ-ZDLGFXPLSA-N 359.338 2.228 50 40 FEGB COc1ccc(/C(C)=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)c(OC)c1 409054404 FVEYVZKAFIHZLR-VCHYOVAHSA-N 359.338 2.472 50 40 FEGB CCS(=O)(=O)[C@H](I)C(=O)c1cccc(C)c1 96517971 NZTLCYCQNCEJBN-NSHDSACASA-N 352.193 2.374 50 40 FEGB COc1ccc(/C=N/NC(N)=O)cc1COc1ccc([N+](=O)[O-])c(C)c1 655046 WYRBZPZMRZETCR-DJKKODMXSA-N 358.354 2.493 50 40 FEGB Cc1ccc(C(=O)N[C@@H](C(=O)NNc2nc(C)cc(C)n2)C(C)C)cc1 22234199 RMCTUUILBZWCCS-MRXNPFEDSA-N 355.442 2.300 50 40 FEGB C[C@H](C(=O)NN=Cc1ccc(N(C)C)cc1)n1cnc2ccccc2c1=O 8700881 RDINNYAYJURHET-CQSZACIVSA-N 363.421 2.174 50 40 FEGB Cc1ccc(OCC(=O)NNC(=O)c2ccc(Br)o2)cc1 5683382 FCCQVQKPEBAUSZ-UHFFFAOYSA-N 353.172 2.191 50 40 FEGB COc1ccc(Br)cc1/C=N/NC(=O)CC1(C)OCCO1 408867176 JVMXQYMBLCWEHF-CXUHLZMHSA-N 357.204 2.061 50 40 FEGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccs3)CC2=O)cc1C 408614642 FVJOHKVQBRHYFN-ZDUSSCGKSA-N 357.435 2.179 50 40 FEGB Cc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 19954626 TYLTVHQOKRUUMK-XDHOZWIPSA-N 359.451 2.220 50 40 FEGB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NNC(=O)c1cccs1 6558971 YBBWCJVUHWQUQJ-AWEZNQCLSA-N 363.414 2.103 50 40 FEGB CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](CCc3ccccc3)[C@H]2C1 804177 AUYWZVBGWIZYPZ-VQTJNVASSA-N 371.444 2.424 50 40 FEGB O=C(NCCCl)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 4927729 DLZGVIJFLGOQJA-UHFFFAOYSA-N 357.819 2.118 50 40 FEGB C[C@@H]1CN(c2ncc(/C=N/NC(=O)c3ccccc3O)s2)C[C@@H](C)O1 1406011 XFRQGTAEGQNQDK-CBROBIOFSA-N 360.439 2.226 50 40 FEGB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NNC(=O)c1ccccc1 48287506 VKKKEWUFVKUWHP-AWEZNQCLSA-N 364.409 2.315 50 40 FEGB Cc1nn2c3ccccc3n(C)c2c1C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 5446811 MLFONOSELWJVRU-GIJQJNRQSA-N 366.337 2.400 50 40 FEGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)NC(N)=O 409247504 CZISXGCDJCWOHL-WEVVVXLNSA-N 359.725 2.400 50 40 FEGB O=C(COC(=O)CCc1c[nH]c2ccccc12)NNC(=O)c1ccccc1 2632042 CBCSYVONQUDTAH-UHFFFAOYSA-N 365.389 2.105 50 40 FEGB COc1ccc(C(=O)NNC(=O)c2cc3cnn(C(C)C)c3nc2C)cc1 32847796 CIPJZYMTCHVRNC-UHFFFAOYSA-N 367.409 2.404 50 40 FEGB COc1cc(/C=N\NC(=O)c2c(C)nc3ccccn23)cc(OC)c1OC 59435499 YUJKRRMBAXBTAX-JAIQZWGSSA-N 368.393 2.432 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)cc(C)c2)c(OC)c1 59517067 QNEPDWZMBMTJOY-RGVLZGJSSA-N 355.394 2.409 50 40 FEGB Cc1cc(C)c2c(c1)/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)N2 5361718 FOHBLXVKNJVFIT-UHFFFAOYSA-N 352.350 2.227 50 40 FEGB CCCCC(=O)[C@@H]1C(=O)[C@@H](Cl)C(C)(C)[C@](Cl)(C(=O)OC)C1=O 102969152 SMNDRXKKDMAWDI-XDMRBOTDSA-N 351.226 2.298 50 40 FEGB O=C(CN1CCOCC1)N/N=C/c1cc2cc(Cl)ccc2nc1Cl 408729133 XTHOKRBBGJTDFL-DJKKODMXSA-N 367.236 2.324 50 40 FEGB Cc1cc(/C=N/NC(=O)C(=O)NCC(C)C)c(C)n1-c1ccccc1F 408970593 IYVKKAMUHBGUHS-SSDVNMTOSA-N 358.417 2.456 50 40 FEGB CCOc1ccc(CC(=O)N/N=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1 408711985 UEMXDMCMTYVAPS-ODLFYWEKSA-N 373.365 2.401 50 40 FEGB N#CC1=C(SCC(=O)NC[C@H]2CCCO2)NC(=O)C[C@H]1c1ccccc1 6496090 JCZDMVWTTVDGAE-CABCVRRESA-N 371.462 2.054 50 40 FEGB Cc1nn(C)cc1/C=N\NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1 13108807 NVUFNIRYUNOCPB-GXHLCREISA-N 356.817 2.391 50 40 FEGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1nnc(-c2ccccc2)s1 16693983 RMOSPFZFWFEDQY-LCYFTJDESA-N 351.391 2.340 50 40 FEGB COCCCNC(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2 7165313 QDTDMKHTBSEDNA-VZUCSPMQSA-N 367.199 2.237 50 40 FEGB Cc1cc2c(c(=O)n1CCN(C)C)[C@@H](c1ccccc1F)C(C#N)=C(N)O2 2709998 VAGWSKFLSVQOSQ-KRWDZBQOSA-N 368.412 2.076 50 40 FEGB CCc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccs3)CC2=O)cc1 17258342 XOTXQBZIOKHCKE-CYBMUJFWSA-N 357.435 2.125 50 40 FEGB Cc1cc(C)nc(NNC(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)n1 22233442 DRNKCPWITYVSTG-INIZCTEOSA-N 355.442 2.300 50 40 FEGB O=C1[C@H](Br)C[C@@H]2[C@H]1[C@H]1CC[C@@]2(Br)C12OCCO2 103926728 JBOPXKCTVFPBRR-VCMDJLOCSA-N 366.049 2.256 50 40 FEGB CC(C)COc1ccc(C(=O)NNC(=O)c2ccccc2C(=O)O)cc1 2194534 VBHCTINZQNXNPT-UHFFFAOYSA-N 356.378 2.494 50 40 FEGB O=C(Cc1cccc2ccccc12)NCC(=O)NNC(=O)c1cccs1 6647991 BJSSNMDSXGKGPF-UHFFFAOYSA-N 367.430 2.021 50 40 FEGB Cc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)cc1C 7379658 XVRANULCCJVFBI-UHFFFAOYSA-N 350.465 2.477 50 40 FEGB Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1C[C@@H]1CCCO1 41778707 GRIRHAVTEFCIGT-ILTCNKJVSA-N 357.454 2.486 50 40 FEGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(OCc2c(C)noc2C)cc1 104389644 UDDHMJXSMJAPGY-WJDWOHSUSA-N 369.377 2.353 50 40 FEGB Cc1ccc(S(=O)(=O)NNC(=O)CC2(CC(=O)O)CCCCC2)cc1 29006726 HTWSCURHRFYKMF-UHFFFAOYSA-N 368.455 2.120 50 40 FEGB C#CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OCC 113869439 OWKHECLKFGSEMA-KRWDZBQOSA-N 350.378 2.347 50 40 FEGB C/C(N)=C(\C#N)C(=O)CSc1ncnc2c1cnn2-c1ccccc1 104396143 BNVNOAVFAYWITP-QBFSEMIESA-N 350.407 2.233 50 40 FEGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)COc1ccccc1[N+](=O)[O-] 216934945 QHNDWDLLAUFCED-UHFFFAOYSA-N 368.349 2.181 50 40 FEGB COc1ccccc1OCC(=O)NNC1=C(C(=O)C(F)(F)F)CCC1 32100005 UVOJYIIZXJBAML-UHFFFAOYSA-N 358.316 2.264 50 40 FEGB CCOc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 3109126 RGYUEPFLUPXUFO-CNRHGSOZSA-N 369.421 2.421 50 40 FEGB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)CCCCl)cc1 6238478 IPEGOHZOHZTTIR-UHFFFAOYSA-N 372.903 2.352 50 40 FEGB CC(C)(C)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 6558587 YYSMBEFEPFNCMC-UHFFFAOYSA-N 359.451 2.237 50 40 FEGB COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccccc2Cl)C(C#N)=C(N)O1 4966779 ONLKHIZMXHPVCX-AWEZNQCLSA-N 362.769 2.138 50 40 FEGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC)cc2OC)cc1 409137575 VZBSNEADTRSRRS-UDWIEESQSA-N 355.394 2.355 50 40 FEGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1OCC(=O)OC 408770970 CXOBTUGYIFUCRB-SXGWCWSVSA-N 372.421 2.407 50 40 FEGB O=C(NNC(=O)C1(c2cccc(F)c2)CCC1)[C@H]1COc2ccccc2O1 24766197 LGBWHEPHCWTQJD-QGZVFWFLSA-N 370.380 2.235 50 40 FEGB CCn1c(=O)c(C(=O)NNC(=O)c2ccc(C)cc2)c(O)c2ccccc21 100551311 GXGBONUETOZGBH-UHFFFAOYSA-N 365.389 2.110 50 40 FEGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2ccc(C)cc2[nH]c1=O 876450 LIUZXZGYMKTZIC-KRWDZBQOSA-N 365.389 2.481 50 40 FEGB COc1ccc(Cl)cc1C(=O)NC(=S)NNC(=O)c1cccs1 6646932 BQOYSJCFLUCMEZ-UHFFFAOYSA-N 369.855 2.359 50 40 FEGB Cc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1 6840342 DHMALMLADQMBKE-RGVLZGJSSA-N 373.478 2.349 50 40 FEGB O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccco2)cc1)c1ccco1 1501080 BDBFQDMRBWSBQK-AYKLPDECSA-N 350.334 2.400 50 40 FEGB CC(C)CC(=O)NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 10161079 UCAVDRQNCGQXLY-UHFFFAOYSA-N 370.331 2.404 50 40 FEGB CCN1CCN(C(=O)[C@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)CC1 100868364 DHRDDRIHTXQAJH-ZLIFDBKOSA-N 371.319 2.309 50 40 FEGB CCc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccc(C)cc3)C2=O)cc1 100118460 YXFCBQFYJJUBQQ-QGZVFWFLSA-N 351.406 2.124 50 40 FEGB O=C(NN/C=C1\C(=O)N(c2ccccc2)C(=S)N=C1O)c1ccccc1 2301410 JOKVAGQRYBEMKM-KAMYIIQDSA-N 366.402 2.093 50 40 FEGB COc1ccc(C(=O)NNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 7518292 VAZRTCXFJYJHLX-UHFFFAOYSA-N 374.340 2.337 50 40 FEGB Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)c1 7907494 UPSBQMMGGIXEET-UHFFFAOYSA-N 357.435 2.418 50 40 FEGB COC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(N)=S 408544753 XOCAIYIQLLFDKF-RUDMXATFSA-N 355.213 2.194 50 40 FEGB CC1=NN(c2ccc(C(=O)NNC(=O)c3ccc(C)cc3O)cc2)CC1 95954035 NGNWQLNHXMSWDN-UHFFFAOYSA-N 352.394 2.361 50 40 FEGB CCOc1c(I)cc(/C=N\NC(C)=O)cc1OC 409010511 KTNOEDJOBUWEBW-AUWJEWJLSA-N 362.167 2.169 50 40 FEGB CC(C)NS(=O)(=O)C[C@]1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2Br 15906338 LHRRJWWOLCXNLP-VCDKRKBESA-N 352.294 2.083 50 40 FEGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC)c(OC)c1 3049748 PUWKBRHJTPCZCY-UDWIEESQSA-N 371.393 2.191 50 40 FEGB O=C(Nn1cnnc1)[C@@H](Br)[C@H](Br)c1ccccc1 3160328 UXIJLFOWVPTCMV-ZJUUUORDSA-N 374.036 2.248 50 40 FEGB O=C(NNS(=O)(=O)c1cc(F)ccc1F)c1c[nH]c2ccccc12 12757853 RYZGKKINMHONLO-UHFFFAOYSA-N 351.334 2.069 50 40 FEGB CC1=NNC(=O)[C@@H]1CC(=O)N/N=C\c1ccc(OCc2ccccc2)cc1 100151549 RUUAZZPYAWIVFZ-UZQMFHLOSA-N 364.405 2.228 50 40 FEGB Cc1nc2ccc(C(=O)NNC(=O)c3ccc4c(c3)OCO4)cc2nc1C 12908135 UITYDWVWNPPXMV-UHFFFAOYSA-N 364.361 2.050 50 40 FEGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cccc(C(F)(F)F)c1 6310425 LOFWLCPRHWZOKO-AWEZNQCLSA-N 366.295 2.306 50 40 FEGB O=C(CNc1ccc(Br)cc1)N/N=C1\C(=O)Nc2ccccc21 5814167 IYSNKXRYCAOSIK-UHFFFAOYSA-N 373.210 2.334 50 40 FEGB C[C@H](Cl)C(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21 1067850 ZQQGOXAQEQFLHD-JTQLQIEISA-N 372.830 2.037 50 40 FEGB biogenic C=CCn1c(CC(=O)OCC)cs/c1=N\NC(=O)Nc1ccccc1 27027181 GOIHDPXLCUZQDT-JZJYNLBNSA-N 360.439 2.479 50 40 FEGB COc1ccc(CC(=O)N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1 37061995 ULVFLDAJXXDBOF-VCHYOVAHSA-N 359.338 2.010 50 40 FEGB O=C(COc1ccc2ccccc2c1)NNS(=O)(=O)c1ccccc1 5947548 VLYZSOFLDKGOEA-UHFFFAOYSA-N 356.403 2.228 50 40 FEGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccc(Cl)cc12 706125 MNKKRVUGBDBFAN-QGZVFWFLSA-N 359.769 2.091 50 40 FEGB O=C(N/N=C/c1ccc(Br)s1)c1cc(O)c(O)c(O)c1 998602 IEJFOKQCFZWMPH-LHHJGKSTSA-N 357.185 2.391 50 40 FEGB CCOc1ccc(O)c(/C=N/NC(=O)COc2cccc([N+](=O)[O-])c2)c1 1435071 WXUFBTIPHITWPZ-VCHYOVAHSA-N 359.338 2.228 50 40 FEGB C#CCOc1cccc(/C=N/NC(=O)N/N=C/c2cccc(OCC#C)c2)c1 2126488 UMAKBLQZEBDUGK-QAOSGDJLSA-N 374.400 2.378 50 40 FEGB CC1(CC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)OCCO1 408718815 MEMHJYHWQNAOAS-WOJGMQOQSA-N 359.338 2.458 50 40 FEGB Cc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)o1 408592008 XBMYSBJMODKCNC-WOJGMQOQSA-N 358.354 2.097 50 40 FEGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(SC)cc2)cc1 223160394 WTXPTHGMTJBUJO-ODLFYWEKSA-N 371.418 2.284 50 40 FEGB COc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2C)ccc1O 3168523 ZDLOQQHNHHCGPG-DJKKODMXSA-N 361.785 2.451 50 40 FEGB Cc1nc2ccccc2nc1SCC(=O)Nc1ccc(C(=O)NN)cc1 16265520 RWQJLNNLWFZPML-UHFFFAOYSA-N 367.434 2.273 50 40 FEGB O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 5390818 JUFPSCRQOPMVJI-UDWIEESQSA-N 372.356 2.334 50 40 FEGB O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])/C(O)=C/C(=O)c1ccccc1 100668752 HVYVSECFWPTVPD-DHDCSXOGSA-N 372.293 2.271 50 40 FEGB CCC(=O)NNc1nc2sc3c(c2c(=O)n1C)C[C@](C)(CC)OC3 2208067 XSWOQPBOHOVXJR-INIZCTEOSA-N 350.444 2.090 50 40 FEGB COc1cc(C(=O)NNC(=O)CCl)c(-n2c(C)ccc2C)cc1OC 2383393 LNGVTCYIFPGJQI-UHFFFAOYSA-N 365.817 2.111 50 40 FEGB C/C(=N\NC(=O)c1csc(N2CCOCC2)n1)c1ccc(C#N)cc1 7989737 INJZIAZGUCNCRS-UDWIEESQSA-N 355.423 2.005 50 40 FEGB N#CCOc1ccccc1/C=N\NC(=O)N/N=C/c1ccccc1OC#N 15938694 DHEKWYXPMQPVJW-ZCJKAFFOSA-N 362.349 2.116 50 40 FEGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CC#N)cc1)c1ccccc1 28214254 JLMNKZXDJWGNLL-NSMHLIOHSA-N 364.405 2.307 50 40 FEGB BrC1CCN(c2ncnc3c2cnn3C2CCNCC2)CC1 228919039 CFPJUMCKVIWVRK-UHFFFAOYSA-N 365.279 2.115 50 40 FEGB CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(O)ncnc32)C[C@H]1O 263597023 GHCYFLRPIRMTTP-WOPDTQHZSA-N 366.494 2.202 50 40 FEGB CCN(C(=O)CCl)c1ccc([C@](O)(C(=O)OC)C(F)(F)F)cc1 3149653 GYBRULFBINRWAH-ZDUSSCGKSA-N 353.724 2.201 50 40 FEGB O=C(C[C@@H]1CSc2ccccc2NC1=O)NNC(=O)c1cccs1 984129 PPKNNXUONDANJR-SNVBAGLBSA-N 361.448 2.260 50 40 FEGB CCOC(=O)/C(C#N)=C/c1c(N2CCCCC2)nc2ccccn2c1=O 2204599 VSCFHRKDGGVQEX-WYMLVPIESA-N 352.394 2.155 50 40 FEGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 2315003 LWXLWNZLRUQYQR-NSHDSACASA-N 361.379 2.230 50 40 FEGB CCn1c(NNC(=O)CCOc2ccc(F)cc2)nc2ccccc2c1=O 24907259 OBSVEGYQUQTKOQ-UHFFFAOYSA-N 370.384 2.468 50 40 FEGB O=C(COC(=O)Cc1cccc2ccccc12)NNC(=O)c1ccccc1 3508123 RWHHRFJJYDNDCT-UHFFFAOYSA-N 362.385 2.387 50 40 FEGB Cc1ccc(OCc2nc(C(=O)NNC(=O)c3cccn3C)cs2)cc1 12971361 LEMLNJRRPORNDG-UHFFFAOYSA-N 370.434 2.444 50 40 FEGB CCCn1nc(C(=O)NNC(=O)c2ccc(F)cc2)c2ccccc2c1=O 7723961 WKXPHYFSJILIOJ-UHFFFAOYSA-N 368.368 2.020 50 40 FEGB Cc1cc(C)cc(C[S@](=O)CC(=O)NNC(=O)c2ccc(F)cc2)c1 69596236 ZKVILSJJVATSAU-RUZDIDTESA-N 362.426 2.152 50 40 FEGB Cc1ccc(-n2nc3c4c(c2=O)C(N)=C(C#N)C[C@@]4(C)SC3=O)cc1 20030660 BMRRMVAYIXMWSU-GOSISDBHSA-N 350.403 2.240 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c(OC)c1 409131143 MCFKNZFZNKFZSJ-RGVLZGJSSA-N 355.394 2.409 50 40 FEGB CCn1c(NNC(=O)c2ccc(-n3ccnc3)cc2)nc2ccccc2c1=O 40051192 LPTKLFVIPSJDTK-UHFFFAOYSA-N 374.404 2.359 50 40 FEGB CCS(=O)(=O)[C@H](I)[C@H](O)c1cccc(C)c1 96519288 QSICNQUAPFNUBB-MNOVXSKESA-N 354.209 2.224 50 40 FEGB Cc1nn(C)c(F)c1/C=N/NC(=O)Cn1nc(C(F)F)cc1C1CC1 252484868 GJRXDOMEEWAEBX-KPSZGOFPSA-N 354.336 2.029 50 40 FEGB CCOC(=O)CCCc1nc2cc(N(CCO)CCCl)ccc2n1C 223761579 HYJTZPVNEXQTBH-UHFFFAOYSA-N 367.877 2.497 50 40 FEGB in-vitro COc1ccc(OCC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)cc1 6684585 ZZTIEPXRLCSOJG-DEDYPNTBSA-N 356.378 2.386 50 40 FEGB O=C(CNC(=O)c1ccc2ccccc2c1)NNC(=O)c1cccs1 9256598 WODVOUFFFBXNJF-UHFFFAOYSA-N 353.403 2.092 50 40 FEGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@]12C(=O)Nc1ccccc12 5052134 FCBAZMGDHRJAGU-HXUWFJFHSA-N 355.357 2.401 50 40 FEGB O=C(CSc1ncccn1)N/N=C/c1cccc(OC2CSC2)c1 1101503 LWNDBXQWUNQZME-UFWORHAWSA-N 360.464 2.213 50 40 FEGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(OC)c(OC)cc2OC)c1 6229649 AYBQLIVYNUYLHN-RGVLZGJSSA-N 374.393 2.494 50 40 FEGB COc1cc(C(=O)NNC(=S)Nc2ccccc2)cc(OC)c1OC 1107934 CYOVTNRTUULFOZ-UHFFFAOYSA-N 361.423 2.344 50 40 FEGB N#Cc1ccc(OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 3612106 RMJIXNFRXSAMAO-UHFFFAOYSA-N 374.194 2.161 50 40 FEGB Cc1cc2c(c(=O)n1Cc1ccccn1)[C@@H](c1cccnc1)C(C#N)=C(N)O2 2253421 FSOXJGFDUNIVOR-SFHVURJKSA-N 371.400 2.213 50 40 FEGB Cc1cc(-c2ccc(/C=N/NC(=O)c3nonc3N)o2)c(C)c([N+](=O)[O-])c1 408720536 TYKLLWTYXIZHEF-CNHKJKLMSA-N 370.325 2.201 50 40 FEGB COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1ccncc1 409103077 DCYKMKVYROYMRJ-FYJGNVAPSA-N 354.410 2.463 50 40 FEGB C=CCc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c(OC)c1 1085544 WTSOHNQTWINNBL-VCHYOVAHSA-N 359.338 2.454 50 40 FEGB CCCn1c(=O)c(C(=O)NNC(=O)c2ccccc2)c(O)c2ccccc21 100534781 YNYVSTFFLOZFSR-UHFFFAOYSA-N 365.389 2.192 50 40 FEGB Cc1ccc(C(=O)NNC(=O)C[C@](O)(c2ccco2)C(F)(F)F)c(C)c1 12978372 RMGQPFBASLAYHR-INIZCTEOSA-N 370.327 2.498 50 40 FEGB COC(=O)/C(C#N)=C/c1c(N2CCC[C@@H](C)C2)nc2c(C)cccn2c1=O 5573356 ZTMKFEWRNWLWHL-QQFZQELXSA-N 366.421 2.319 50 40 FEGB COc1ccc(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)cc1 7380302 OHBIKNGHCDLTOX-UHFFFAOYSA-N 360.391 2.373 50 40 FEGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccc(Cl)cc12 706126 MNKKRVUGBDBFAN-KRWDZBQOSA-N 359.769 2.091 50 40 FEGB Cc1c(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)nc2ccccn12 12499356 OYLCSBGJNRKAPC-KGENOOAVSA-N 363.421 2.243 50 40 FEGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1O 6656500 BYQUNJFIOCGQML-RGVLZGJSSA-N 355.394 2.497 50 40 FEGB CCc1cccc(N2C[C@@H](C(=O)NNC(=O)c3cccs3)CC2=O)c1 12942734 NUAJEXJEMOMQFV-ZDUSSCGKSA-N 357.435 2.125 50 40 FEGB Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 408616071 VKKCBAHECNGBGJ-KRWDZBQOSA-N 365.433 2.426 50 40 FEGB O=C(CCC(=O)c1ccc2c(c1)CCCC2)NNC(=O)c1ccncc1 9544429 KWFYGSDIRKMICM-UHFFFAOYSA-N 351.406 2.385 50 40 FEGB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1cccc(O)c1 9155103 FJIJAUOGUQYXRM-SNVBAGLBSA-N 361.379 2.242 50 40 FEGB CCc1cccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3)CC2=O)c1 12915083 KIZQVBNYJDYVKE-MRXNPFEDSA-N 351.406 2.063 50 40 FEGB N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc2nccnc2c1 6476428 FGYHLIHEFHCMPP-HDDDNDSPSA-N 358.405 2.131 50 40 FEGB O=C(CNC(=O)c1ccccc1Cl)NNC(=O)c1cccc(Cl)c1 7778909 CRWQDCQJUOCMOM-UHFFFAOYSA-N 366.204 2.184 50 40 FEGB CC1CCC(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)CC1 139017466 ABICNYHVWVXPPS-KRSHBKATSA-N 356.260 2.252 50 40 FEGB COc1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] 3025045 RLCMIMPIVSALFZ-RQZCQDPDSA-N 374.309 2.041 50 40 FEGB Cc1ccc(S(=O)(=O)/C(C#N)=C\N[S@@](=S)c2ccncc2)cc1 17223442 VNMNSCWHDFSDNN-LHTZNZITSA-N 363.489 2.173 50 40 FEGB CN(C)C(=O)[C@@H](NNC(=O)c1cn(C)c2ccccc12)c1ccccc1 9112619 ZXSNZWXULADVAE-SFHVURJKSA-N 350.422 2.242 50 40 FEGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(N)=O 59535046 IZSZDZNLWIGOEU-MDWZMJQESA-N 369.352 2.244 50 40 FEGB CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](CI)O[C@H]2C1 95829425 SVZZQMWNBGDULD-UTLUCORTSA-N 353.200 2.446 50 40 FEGB COc1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1 250445291 OSEAXCUOZSYCBU-TVQXOTEMSA-N 366.211 2.205 50 40 FEGB CCOC(=O)C1(C(=O)OCC)C[C@H](Br)[C@H](Br)C1 1709932 DQDVFOYPTKTXHY-OCAPTIKFSA-N 372.053 2.420 50 40 FEGB COc1ccnc(NNC(=O)c2cnn(-c3ccc(F)cc3F)c2C)n1 25124234 RKRRLXCGSWTPBC-UHFFFAOYSA-N 360.324 2.014 50 40 FEGB O=C(Cc1cn2ccsc2n1)N/N=c1\c(=O)c2cccc3cccc1c32 103202853 JUHATOYVJUTXNT-XLNRJJMWSA-N 360.398 2.113 50 40 FEGB COc1ccc(C(=O)NCC(=O)N/N=C/c2c(C)[nH]c3ccccc23)cc1 2279805 IYSPKUMMPGYENP-SSDVNMTOSA-N 364.405 2.365 50 40 FEGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2C)[C@H](C#N)C(=O)N1 2293711 IBBIGCIHYJLWSJ-XJKSGUPXSA-N 355.419 2.380 50 40 FEGB COc1ccccc1C(=O)N/N=C/c1cn(CCC(N)=O)c2ccccc12 409369213 HZVZSGLTWLEPIB-WSDLNYQXSA-N 364.405 2.289 50 40 FEGB CCN(NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccc(C)cc1 8051944 CJZMMKNFNVJWKK-UHFFFAOYSA-N 373.478 2.488 50 40 FEGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC3(C)OCCO3)o2)cc1 408718774 HRHPDGCDXQLBOB-UDWIEESQSA-N 372.377 2.336 50 40 FEGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2nnc(NC(C)=O)s2)cc1 408731616 OCXMXPDORQCOCI-WOJGMQOQSA-N 374.470 2.036 50 40 FEGB CS(=O)(=O)N(CC(=O)N/N=C\c1ccccc1Cl)C1CCCCC1 35361981 WMUCXXVEQRFMSP-WQRHYEAKSA-N 371.890 2.384 50 40 FEGB CN(C)c1ccc([C@H]2C(C#N)=C(N)O[C@@H]3NN=C(C(F)(F)F)[C@H]32)cc1 5334416 HRYCYMTWOQECOC-ZOWXZIJZSA-N 351.332 2.024 50 40 FEGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)c(OC)c1 13923308 XDBWNMXUTJRENG-VXLYETTFSA-N 361.785 2.446 50 40 FEGB O=C(NNS(=O)(=O)c1ccc(F)c(F)c1)C12CC3CC(CC(C3)C1)C2 16154309 UETRRTDLWGNLHP-UHFFFAOYSA-N 370.421 2.491 50 40 FEGB COc1ccc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)c(OC)c1 5513250 FOIBOMHBLMYMDL-NDENLUEZSA-N 358.394 2.414 50 40 FEGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cccnc1Nc1ccccc1F 104345552 UYJCIVYLBGELKD-QBFSEMIESA-N 354.341 2.446 50 40 FEGB CCC1=C(C(=O)OC)[C@@H](c2ccc(OC)c(OC)c2OC)C(C#N)=C(N)O1 706897 BOIKRELVIQJSKL-AWEZNQCLSA-N 374.393 2.357 50 40 FEGB CC(C)COc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 3423464 NBAFOUNVOOROSX-SFHVURJKSA-N 370.405 2.322 50 40 FEGB Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(N)=O)c1 4205484 QCOOKANNEZHJNJ-GXDHUFHOSA-N 360.373 2.496 50 40 FEGB COc1cc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 31769004 IRWQJZALPNFBKW-ZDLGFXPLSA-N 359.338 2.385 50 40 FEGB C=CC(=O)OCC(CBr)(CBr)COC(=O)C=C 2571934 RCMZMKAGROFLTJ-UHFFFAOYSA-N 370.037 2.221 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)ccc1OC(C)=O 1437657 SROOYLQIUMDWHW-RGVLZGJSSA-N 370.361 2.156 50 40 FEGB O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)N1CCCC1 59515669 MOEKSBYTNJLBLT-KGENOOAVSA-N 351.406 2.338 50 40 FEGB COc1cc(/C=N\NC(=O)C[C@@H]2Sc3ccccc3NC2=O)ccc1O 36626334 DRNMSWYCPMTTHF-WSLMLHKMSA-N 371.418 2.354 50 40 FEGB Cc1ccccc1OCn1ccc(C(=O)N/N=C/c2c(C)nn(C)c2F)n1 252479696 BKGJGGRLUXXXKD-KEBDBYFISA-N 370.388 2.173 50 40 FEGB CCc1noc(C)c1C(=O)NNC(=O)c1ccc(Br)cc1 13004696 OMLZUATYSWYUMF-UHFFFAOYSA-N 352.188 2.383 50 40 FEGB COc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c(OC)c1 691445 BOPYPARTPPVULD-SFHVURJKSA-N 368.437 2.281 50 40 FEGB COCCNC(=O)C/C(C)=N/NC(=O)C(c1ccccc1)c1ccccc1 101960435 MKFYCSLPCICCFX-XQNSMLJCSA-N 367.449 2.463 50 40 FEGB O=C(N/N=C/c1cccc(O)c1)C(=O)Nc1cccc(C(F)(F)F)c1 5671318 NCHDFPNUPARRLW-AWQFTUOYSA-N 351.284 2.500 50 40 FEGB N#Cc1ccc(OCC(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)cc1 16006626 PKRATSPJRCSKET-BJMVGYQFSA-N 355.781 2.451 50 40 FEGB COc1ccc(C(=O)Oc2c(Cl)cc(C(=O)NN)cc2OC)cc1 226307285 HIQPSHMMPNTWCK-UHFFFAOYSA-N 350.758 2.180 50 40 FEGB C/C(=N\NC(=O)NC[C@@H]1CCCO1)c1ccc(NC(=O)NC(C)C)cc1 64911294 SLQZJSBDXUWUJG-QPNANDPSSA-N 361.446 2.419 50 40 FEGB CNC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2)nc2ccccn2c1=O 4205400 LVSOVVFHAIUYLK-SDNWHVSQSA-N 360.373 2.448 50 40 FEGB C[C@H](C(=O)N/N=C/c1cccs1)N(c1ccccc1)S(C)(=O)=O 408911357 NDZUUJLLKFVNNT-PILJQMSFSA-N 351.453 2.053 50 40 FEGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCC(N)=O 408542712 NNWRHOMALDIYQE-NVNXTCNLSA-N 352.346 2.322 50 40 FEGB CCCCOc1ccc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1 102198899 DCUMJOXKHZTQGV-OTRWWLKZSA-N 374.437 2.373 50 40 FEGB COc1ccc(C(=O)[C@@H](Br)[C@@H](Br)C(=O)O)cc1 1673796 ZLMNCWVKKNTEIG-DTWKUNHWSA-N 366.005 2.490 50 40 FEGB in-vitro CCOc1cc(/C=N/NC(=O)CSc2nnc(C)s2)ccc1O 2338888 PWTWNAFIWBFYTA-VIZOYTHASA-N 352.441 2.193 50 40 FEGB O=C(CCNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(F)cc1 6510417 RKEQFPUHJUOBJT-UHFFFAOYSA-N 363.776 2.060 50 40 FEGB C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Cn1cnc2ccccc21 15497728 MQQMMYGYBUKXQV-GFCCVEGCSA-N 372.812 2.305 50 40 FEGB Cc1ccc(C(=O)NNC[C@H](CO)C(=O)Nc2ccc(Cl)cc2)cc1 24841825 FHCWFHQEHKZWHU-CQSZACIVSA-N 361.829 2.130 50 40 FEGB O=C(N/N=C\c1ccccc1)c1nnn2c1SCC(c1ccccc1)=N2 33338000 UKUCIWQSMDVUFT-ODLFYWEKSA-N 362.418 2.400 50 40 FEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1cccs1 52411117 HBEBMRIIAYORIM-SNVBAGLBSA-N 363.826 2.216 50 40 FEGB COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(F)c(C(F)(F)F)c1 95467087 DKUUDMOBNHEQRX-MRVPVSSYSA-N 367.299 2.049 50 40 FEGB C[C@H](c1ccccc1)N1C[C@@H](C(=O)NNC(=O)c2ccccc2)CC1=O 120086727 SDGHSHMXKRDFJH-PBHICJAKSA-N 351.406 2.057 50 40 FEGB Cc1ccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C 101318297 QXIDKADQUOTZBV-LTUGMUNRSA-N 372.899 2.144 50 40 FEGB COc1cc(OC)c(OC)cc1/C=N\NC(=O)[C@H]1OCCc2ccccc21 26503676 SHHLWNKKPBKUNS-VFAFIFLJSA-N 370.405 2.477 50 40 FEGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(C#N)cc2)cc1 7842081 CGPIJJZDKSJSDV-CYBMUJFWSA-N 353.378 2.185 50 40 FEGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1 408598586 FAYUVRZDTNXBIY-YBFXNURJSA-N 371.349 2.301 50 40 FEGB COc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)c(OC)c1OC 6363402 AYONFHOLCUFKOG-RGVLZGJSSA-N 371.393 2.435 50 40 FEGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc(Cl)c1O 5541512 YAFWKPJQAVNCGQ-DJKKODMXSA-N 361.785 2.451 50 40 FEGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1n[nH]c2c1CCCC2 1241900 DKLAAKPMUMTSGJ-VXLYETTFSA-N 358.398 2.078 50 40 FEGB C#CCOc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC)cc1OCC 2178038 IRBYHAXCJDPFKZ-SFHVURJKSA-N 368.389 2.352 50 40 FEGB Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)c1ccc(O)nc1 12783037 ZIEDQRBXKGRRAJ-UHFFFAOYSA-N 363.801 2.369 50 40 FEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc2c(c1)OCO2 32116958 HXOZFRYCFZATLE-LSCVHKIXSA-N 373.321 2.105 50 40 FEGB Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2cccs2)c(C)c1 6607453 SCIPYPQZUGDETQ-RQZCQDPDSA-N 365.480 2.102 50 40 FEGB C[C@H]1CN(CCC(=O)NNC(=O)c2ccc3ccccc3c2)C[C@@H](C)O1 12747442 WTIFYZYVOPZDFC-GASCZTMLSA-N 355.438 2.100 50 40 FEGB O=C(COc1ccc2ccccc2c1)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 4657081 XBPQLOBVVDTMNS-SJORKVTESA-N 370.405 2.257 50 40 FEGB O=C(NNC(=S)Nc1ccc2c(c1)OCO2)c1cc(Cl)ccc1O 6633501 LLVFZUWDPJEPES-UHFFFAOYSA-N 365.798 2.406 50 40 FEGB Cc1cc(/C=N/NC(=O)C(N)=O)c(C)n1-c1ccccc1C(F)(F)F 408934228 BMJWLOAJOBWBLU-ODCIPOBUSA-N 352.316 2.048 50 40 FEGB CCS(=O)(=O)[C@H](I)[C@@H](O)c1ccccc1F 96519274 GCYQTOAWXMUJSS-UWVGGRQHSA-N 358.172 2.055 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c(OC)c1 3059328 NJJUPLGJBHYBJM-VXLYETTFSA-N 361.785 2.446 50 40 FEGB CCCc1cc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cs1 17072716 OELIUHSQZBEFSD-QOBDMFJFSA-N 350.440 2.209 50 40 FEGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 104818519 KUDHNRJPJLPZFQ-QINSGFPZSA-N 372.381 2.067 50 40 FEGB COc1cc(OC)cc(C(=O)NNC(=O)COc2ccc(Cl)cc2)c1 3609793 FNLHYARFUBRQBV-UHFFFAOYSA-N 364.785 2.197 50 40 FEGB CCN1C(=O)/C(=N\NC(=O)c2cc([N+](=O)[O-])ccc2C)c2ccccc21 102822092 NUQZSIBNHBYCSE-MNDPQUGUSA-N 352.350 2.404 50 40 FEGB O=C(CCCn1c(=O)oc2ccccc21)NNc1cccc(C(=O)O)c1 3407936 BNFJWWJQMJXYCW-UHFFFAOYSA-N 355.350 2.216 50 40 FEGB O=C(NCCCCl)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 13944882 NRWAXVZYWRGBST-ZDUSSCGKSA-N 365.836 2.443 50 40 FEGB CCCCCC(=O)NNC(=O)c1c(O)n(CCC)c2ccccc2c1=O 6471775 APHRJRYSURFOBZ-UHFFFAOYSA-N 359.426 2.458 50 40 FEGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccco3)CC2)cc1 409004823 DXUWHKYRIYQWNH-DEDYPNTBSA-N 355.394 2.291 50 40 FEGB Cc1c(C(=O)n2c(C)c(C(=O)NN)c3ccccc32)cccc1[N+](=O)[O-] 216960474 OVULPRJDBNXJIS-UHFFFAOYSA-N 352.350 2.458 50 40 FEGB CN(C)c1ccc(/C=N/NC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 1040455 MFNUMNHZUBBQSG-KVVJQUGZSA-N 352.442 2.486 50 40 FEGB COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)C(C)(C)C)c(OC)c1 1810810 ZBYFOTTVFXMXEI-GXDHUFHOSA-N 360.410 2.316 50 40 FEGB CCc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3F)CC2=O)cc1 8273727 KQXPFWNUWYNHDB-AWEZNQCLSA-N 369.396 2.202 50 40 FEGB CCOc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)ccc1O 710720 HQLHUSUXJRDMMV-AWQFTUOYSA-N 357.366 2.082 50 40 FEGB O=C(CCC(=O)c1ccc2c(c1)CCCC2)NNC(=O)c1cccnc1 24043038 ZQPDBJAJFWSQDC-UHFFFAOYSA-N 351.406 2.385 50 40 FEGB COc1ccc(CCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1 3218338 FYNIGRKPPCGOAL-UHFFFAOYSA-N 358.394 2.106 50 40 FEGB O=C(Cn1ccccc1=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1 24069308 YOSSSRVBTQIWGF-UHFFFAOYSA-N 371.393 2.177 50 40 FEGB CC[C@@H](NNC(=O)c1ccccc1-n1cccc1)C(=O)Nc1cc(C)on1 12543809 XOXWFFIONRBMGX-OAHLLOKOSA-N 367.409 2.425 50 40 FEGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2sccc2C)cc1 59434185 LLKJWFSWXUQAPL-VCHYOVAHSA-N 359.407 2.322 50 40 FEGB Cc1c(C(=O)NNS(=O)(=O)c2ccc(C#N)cc2)oc2ccccc12 7380428 MSSYSFAFSFLAPW-UHFFFAOYSA-N 355.375 2.236 50 40 FEGB Cc1nn(C)c(F)c1/C=N/NC(=O)Cn1nc(C(F)F)cc1C(F)F 252509256 YIPLSCJFDWZNJE-RMOCHZDMSA-N 364.278 2.090 50 40 FEGB O=C(COc1cccc2ccccc12)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 675147 YSQDSKJOTQOSOT-JKSUJKDBSA-N 370.405 2.257 50 40 FEGB CO[C@@H](C(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1ccccc1 2091910 KCSBBJXHICDJQW-GFHWABCWSA-N 374.309 2.046 50 40 FEGB O=C(Cc1ccccc1)NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 8852537 IYYWLJKTXHQRKJ-UHFFFAOYSA-N 374.340 2.137 50 40 FEGB COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C 408971876 RFVJMAQLYRYDBH-LPYMAVHISA-N 370.453 2.005 50 40 FEGB CCCCC(=O)NN/C=C1\C(=O)NC(=O)N(c2ccc(C(C)C)cc2)C1=O 2287786 RZMKWTVBPWOSLT-RVDMUPIBSA-N 372.425 2.088 50 40 FEGB COc1cc(/C=N/NC(=O)c2cccc(Cn3cccn3)c2)ccc1O 669051 AURQMFMEYVTULV-UDWIEESQSA-N 350.378 2.410 50 40 FEGB O=C1[C@@H](Br)C[C@@H]2[C@H]1[C@H]1CC[C@]2(Br)C12OCCO2 4114152 JBOPXKCTVFPBRR-ZBGLXGBJSA-N 366.049 2.256 50 40 FEGB COc1ccc(CSCC(=O)N/N=C2\C(=O)Nc3ccccc32)cc1 5432928 AXICTMLDFKABKR-UHFFFAOYSA-N 355.419 2.401 50 40 FEGB CC(C)CCOC[C@H](O)CCC(=O)NNC(=S)Nc1ccccc1 8691045 QFLBAAYSTWJOBT-OAHLLOKOSA-N 353.488 2.208 50 40 FEGB O=C(CNc1cccc(F)c1)NNC(=O)c1ccc(Br)cc1 9218114 BYSOLXVNZVZPTM-UHFFFAOYSA-N 366.190 2.461 50 40 FEGB C/C(N)=C(\C#N)C(=O)COC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1C 104876764 HCBWMVUGOKCXJY-WRJNCIKXSA-N 364.405 2.371 50 40 FEGB CN(C)c1cccc(C(=O)N/N=C/c2ccc(N3CCOCC3)c(F)c2)c1 409141727 ISVZBWKFTPUSEE-HYARGMPZSA-N 370.428 2.492 50 40 FEGB CCCCC(=O)NN/C=C1/C(=O)N=C(O)N(c2c(C)cc(C)cc2C)C1=O 2268931 BHYAQTXGTYPJBH-UVTDQMKNSA-N 372.425 2.094 50 40 FEGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C\c1ccccc1 33340158 DLCWBJCBZPLFBM-UNOMPAQXSA-N 365.418 2.483 50 40 FEGB N#Cc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c(F)c1 1053831 QTSPVBOUXBWXJU-LPYMAVHISA-N 352.369 2.298 50 40 FEGB CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@@H]2c2ccccc2O)cc1 1633099 KOORPEXWDFHDOD-CVEARBPZSA-N 373.796 2.186 50 40 FEGB CCOC(=O)[C@@H](N)Cc1ccc(OC)c(N(CCCl)CCCl)c1 1707261 QEMORKWPFLFVQJ-ZDUSSCGKSA-N 363.285 2.412 50 40 FEGB CC(=O)NNC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 7656950 VNNIHGGJGUJJLU-UHFFFAOYSA-N 369.402 2.034 50 40 FEGB CN1C(=O)CC[C@@H](C(=O)NNC(=O)c2ccccc2)[C@H]1c1ccccc1 72280981 QAYGBLBEBXHNFT-SJLPKXTDSA-N 351.406 2.057 50 40 FEGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc3c(cc2C)OCO3)n1 8336785 YOJZKJUNNXHPAR-CNHKJKLMSA-N 358.423 2.373 50 40 FEGB CC(C)c1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)cc1 6377369 ZIOZXZPVWKIORZ-XDHOZWIPSA-N 359.451 2.239 50 40 FEGB Cc1cc2c(c(=O)n1Cc1cccnc1)[C@H](c1ccoc1)C(C#N)=C(N)O2 730214 KVGSIGXYYZGXPE-QGZVFWFLSA-N 360.373 2.411 50 40 FEGB CC(=O)c1ccc(N2CCN(C(=O)NNC(=O)c3cccs3)CC2)cc1 9157788 QDOYSWKGGKTXSJ-UHFFFAOYSA-N 372.450 2.127 50 40 FEGB O=C(COc1ccc2ccccc2c1)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 17075858 XBPQLOBVVDTMNS-IAGOWNOFSA-N 370.405 2.257 50 40 FEGB O=C(Nc1ccc(F)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408679104 CEVJTXPESYSOKK-GRRRKWKPSA-N 354.175 2.335 50 40 FEGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)ccc1O 7813075 JACLIYSJQVDVNT-HMHKGCENSA-N 355.394 2.118 50 40 FEGB Cn1c(SCC(=O)N/N=C/c2cccnc2)nnc1-c1ccccc1 2313082 UKEOUWSYASHDFY-YBFXNURJSA-N 352.423 2.120 50 40 FEGB Cc1cc(N(CCCl)CCCl)ccc1/C=N\Nc1nnc(C)n1N 104067624 NZFBUEHTWXDWIM-GRSHGNNSSA-N 370.288 2.339 50 40 FEGB O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N/N=C/c1ccc([N+](=O)[O-])cc1 101642504 YTGJYJVREUFOBS-CXUHLZMHSA-N 373.281 2.104 50 40 FEGB COc1ccccc1C(=O)NCC(=O)N/N=C/c1cn(C)c2ccccc12 3212328 XJYRBUQHAZSYHY-SSDVNMTOSA-N 364.405 2.067 50 40 FEGB CN(C)NC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 4661755 SRXSQBRFITZUMX-NBVRZTHBSA-N 352.438 2.116 50 40 FEGB COc1ccccc1OCC(=O)N/N=C(\C)c1ccc2c(c1)OCCO2 6512594 JOMNAOJOYXFVHE-DEDYPNTBSA-N 356.378 2.386 50 40 FEGB NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1 15144770 NVAFCDKWPNYUHZ-LPYMAVHISA-N 362.389 2.105 50 40 FEGB Cc1cc(CSc2ncccc2C(=O)NNC(=S)NC(C)C)no1 30059713 BFHNLKYDENIKRR-UHFFFAOYSA-N 365.484 2.188 50 40 FEGB CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1 102198859 GAYMGQARULLISQ-UGQVUOCMSA-N 358.438 2.492 50 40 FEGB COc1cccc(C(=O)N/N=C/[C@H]2C(=O)N(c3ccccc3)N=C2C)c1 408739975 HFXMFWJIQFXILI-XNHPLOEXSA-N 350.378 2.450 50 40 FEGB Nc1ccccc1C(=O)N/N=C/c1ccc(I)o1 1195819 IZJCWCVZWDOYPM-VIZOYTHASA-N 355.135 2.230 50 40 FEGB Cc1nc2ccc(NC(=O)N[C@H]3CS(=O)(=O)C[C@H]3Cl)cc2s1 575425485 ZJOKFYJPBCTIFK-KOLCDFICSA-N 359.860 2.131 50 40 FEGB COc1cc(C(=O)NNC(=O)c2cc(Br)cn2C)ccc1C 16271126 IWMNIOOUEDRKBD-UHFFFAOYSA-N 366.215 2.179 50 40 FEGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)NC(=O)NCCC(C)C)cc1 2636324 XFZQCEKFEGXQMO-XNTDXEJSSA-N 373.409 2.017 50 40 FEGB COC(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc(OC)cc2)cc1 4525986 OITTZOSMVCDSEF-GZTJUZNOSA-N 364.379 2.153 50 40 FEGB Cc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)NC2CC2)cc1 42017794 VNXMGWUAIRXYGJ-UHFFFAOYSA-N 352.394 2.354 50 40 FEGB O=C(OCCCl)c1ccc(N2C(=O)C[C@@H](N3CCCCC3)C2=O)cc1 4745108 ONSOUWRGAOPWNH-OAHLLOKOSA-N 364.829 2.200 50 40 FEGB Cc1cc(C(=O)OCC(=O)NNC(=O)c2ccccc2)c2ccccc2n1 3285175 LBAXGOSSEINMPG-UHFFFAOYSA-N 363.373 2.161 50 40 FEGB C=CC[C@H](C[C@@H](O)COCCC)C(=O)NNC(=S)Nc1ccccc1 13687876 LFJGXNPEGNAGDJ-GDBMZVCRSA-N 365.499 2.374 50 40 FEGB Cc1ccc(S(=O)(=O)NNC(=O)c2sc(=S)n(C)c2C)cc1 4349209 KYFWKGXRQWVKNJ-UHFFFAOYSA-N 357.482 2.056 50 40 FEGB Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2ccco2)s1 17146182 BFNLXLZZCQQJNX-VCHYOVAHSA-N 369.406 2.385 50 40 FEGB COc1ccccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408687777 VCFRAGAAYUDPOG-ZXNRBLBOSA-N 366.211 2.205 50 40 FEGB Cc1cc(O)nc(Sc2ccc(/C=N/NC(=O)c3ccncc3)o2)n1 409105972 LPDZROVTJULXNM-GIJQJNRQSA-N 355.379 2.394 50 40 FEGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC(=O)OC 409373826 ZGELUXPQKCXLBQ-XNTDXEJSSA-N 358.394 2.166 50 40 FEGB COc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-] 33760136 WROOZIFWWRTGMR-YVLHZVERSA-N 358.310 2.204 50 40 FEGB COc1ccccc1OCC(=O)N/N=C\c1ccc(O[C@@H](C)C(=O)O)cc1 208351171 QMGGGVQQEWOFOC-GHOUAXAESA-N 372.377 2.076 50 40 FEGB COc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OC(C)=O 1022691 BOQHTBDKRZRGEB-RGVLZGJSSA-N 356.378 2.458 50 40 FEGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)OC)NC(=O)[C@@H]1C#N 1245100 XVCBYHOUYXCIKS-WBMJQRKESA-N 371.418 2.080 50 40 FEGB O=C(NNS(=O)(=O)c1ccc(Br)cc1)C1CCCCC1 3310692 DSQWUEJMKOOCGA-UHFFFAOYSA-N 361.261 2.339 50 40 FEGB C[C@H](NC(=O)COc1ccc2c(c1)CCCC2)C(=O)N/N=C/c1ccco1 4679963 IDLKSUMYIFTRPE-OMBDHMDGSA-N 369.421 2.192 50 40 FEGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2OC)cc1 409251947 AOFZDZFCVNEIKJ-UDWIEESQSA-N 356.378 2.401 50 40 FEGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c1O 408967773 SAADSYUFZSSSDU-UFWORHAWSA-N 358.285 2.084 50 40 FEGB NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3194130 ZFIJKZWDTWPPOJ-UHFFFAOYSA-N 360.222 2.398 50 40 FEGB O=C(COC(=O)/C=C/c1ccccc1)NNC(=O)c1ccccc1Cl 7939911 NJADEYYKRDERRW-ZHACJKMWSA-N 358.781 2.358 50 40 FEGB Cc1ccc(C(=O)NN[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 2351364 VVBLZLULZAXURE-HNNXBMFYSA-N 357.797 2.215 50 40 FEGB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1ccc2ccccc2n1 4587226 KEWMLGKQYYNYHR-UHFFFAOYSA-N 361.317 2.229 50 40 FEGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccccc1OC 408606814 QJOMEZWMNMTYSQ-AWEZNQCLSA-N 356.407 2.253 50 40 FEGB COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccccn2)cc1OC 18143765 IYEWAPDSZARESQ-CIAFOILYSA-N 356.382 2.233 50 40 FEGB Cc1c(Br)cc(Br)c(OCC(=O)NN)c1C 216907509 LGPCSLHUKVWZSO-UHFFFAOYSA-N 352.026 2.197 50 40 FEGB C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)C(=O)NC(C)C 4405469 AYBCKMMGXUDTTJ-AWQFTUOYSA-N 373.240 2.339 50 40 FEGB O=C(CCc1ccccc1)NN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 100183296 YOIITOJWTDBHDJ-INIZCTEOSA-N 371.824 2.226 50 40 FEGB O=C(NNC(=O)c1cc(F)c(F)cc1Cl)c1ccc2c(c1)OCO2 7777192 YLLSIBNAXQYVBM-UHFFFAOYSA-N 354.696 2.422 50 40 FEGB COc1ccc(C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 33785119 GAESMWLLQKMWCK-VCHYOVAHSA-N 359.338 2.385 50 40 FEGB COC(=O)COc1ccc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc1 831105 ORKKOVMCFCXSAV-TYJAPOHBSA-N 356.378 2.076 50 40 FEGB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)c1ccncc1 14833976 RGSVETJPSZWJJG-ZZXKWVIFSA-N 360.826 2.084 50 40 FEGB O=C(Nn1cnnc1)[C@H](Br)[C@@H](Br)c1ccccc1 3160329 UXIJLFOWVPTCMV-VHSXEESVSA-N 374.036 2.248 50 40 FEGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(O)c1 408906809 KREBLPIDLLPIGJ-NNIWKIFQSA-N 355.394 2.200 50 40 FEGB O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccc(Cl)cc1Cl 409376049 SRVYEBGGYQYKEB-VLIVSTDHSA-N 369.204 2.277 50 40 FEGB COc1ccc(N2C[C@@H](NC(=O)C(C)(C)CCl)CC2=O)cc1OC 5221530 UEMVVDSJUUWRFJ-NSHDSACASA-N 354.834 2.190 50 40 FEGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 5569019 KUXPWDDBRGJHBS-VXLYETTFSA-N 360.757 2.015 50 40 FEGB O=C(NNC(=O)c1cccs1)c1ccc(=O)n(Cc2ccccc2)c1 16839244 NANDXAYARGEKJN-UHFFFAOYSA-N 353.403 2.033 50 40 FEGB CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl 1702270 BDCWQOMLWHXEAK-HOTGVXAUSA-N 352.862 2.073 50 40 FEGB O=C(COC(=O)c1cc2ccccc2cc1O)NNC(=O)c1cccs1 2644282 QAQHFILGYHVLBK-UHFFFAOYSA-N 370.386 2.225 50 40 FEGB COCCn1c(C)cc2c(c1=O)[C@H](c1ccccc1OC)C(C#N)=C(N)O2 2347614 ZDJPISATTCISJJ-QGZVFWFLSA-N 367.405 2.030 50 40 FEGB C[C@@H](C(=O)N/N=C/c1ccccc1F)N(c1ccccc1)S(C)(=O)=O 4363607 DOCPFTVRVFWATE-HCZVKUGISA-N 363.414 2.131 50 40 FEGB Cc1ccccc1C(=O)NN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 90454715 AZQCSTSZZKRLNE-HNNXBMFYSA-N 357.797 2.215 50 40 FEGB O=C(NNc1ccc2nncn2n1)c1ccccc1C(=O)c1ccccc1 16779357 SZKZZXXZGFSJNU-UHFFFAOYSA-N 358.361 2.112 50 40 FEGB COC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 408790976 SGDLGYZWCKAKIS-GXDHUFHOSA-N 352.346 2.490 50 40 FEGB COC(=O)c1c(NC(=O)C(Cl)Cl)sc2c1[C@@H](C(=O)OC)CC2 4038554 ZJMJTLFMPPKEKC-YFKPBYRVSA-N 366.222 2.480 50 40 FEGB COc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 6628007 AZHIBFIBTQWBRO-ZGUWOUCSSA-N 352.394 2.287 50 40 FEGB Cn1c(CC(=O)NNC(=O)c2ccc(-n3cccc3)cc2)nc2ccccc21 16179086 BTZBNELXQCVSIE-UHFFFAOYSA-N 373.416 2.368 50 40 FEGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 408771944 KHHOXIPHAXQRMP-PXLXIMEGSA-N 366.465 2.349 50 40 FEGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc([N+](=O)[O-])s3)[C@@H]2C1 5790140 HUFASBBJGJDBAN-DOMZBBRYSA-N 366.406 2.011 50 40 FEGB COc1cc(NC(=S)NNC(=O)c2ccncc2)c(OC)cc1Cl 986436 ARWZQFGULHCSHK-UHFFFAOYSA-N 366.830 2.384 50 40 FEGB O=C(N/N=C/c1ccc(O)c(I)c1)c1cccnc1 3101606 WRFNHAXWLSWNLR-FRKPEAEDSA-N 367.146 2.156 50 40 FEGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2cccc(O)c2)cc1 100522600 XHBQMQIYHBFTTG-FYJGNVAPSA-N 355.394 2.213 50 40 FEGB CCOC(=O)NNC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 58342821 OVYZILHWPZYLTN-PHIMTYICSA-N 354.382 2.222 50 40 FEGB CN(C)c1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 4688124 RPPVYWUFKJFHOP-WOJGMQOQSA-N 371.353 2.262 50 40 FEGB CCOC(=O)COc1ccc(/C=N/NC(=O)CNc2ccccc2)cc1 409375683 NWYIVLVZTZOUFU-CIAFOILYSA-N 355.394 2.191 50 40 FEGB O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1cccc(F)c1 32576949 QHOIGGLNMLBWMG-HMAPJEAMSA-N 354.429 2.094 50 40 FEGB COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1cccc(Cl)c1 5375447 CEVHYTBGKKWQSP-MRXNPFEDSA-N 362.769 2.461 50 40 FEGB CC(C)[C@H](OC[C@@H]1CCCO1)C(=O)N/N=c1/sc2ccccc2n1C 102112618 BAOVEDRCJKYZOZ-RYCSHZHPSA-N 363.483 2.392 50 40 FEGB CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1[C@H]1CC=CCC1 21601435 PVEFARARDFFACW-LRDDRELGSA-N 361.467 2.353 50 40 FEGB CCn1c(NNC(=O)[C@@]2(C)CC2(Cl)Cl)nc2ccccc2c1=O 32904528 OCWCXGYECXPOAW-CQSZACIVSA-N 355.225 2.443 50 40 FEGB CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](CCc3ccccc3)[C@@H]2C1 804176 AUYWZVBGWIZYPZ-WOJBJXKFSA-N 371.444 2.424 50 40 FEGB COc1cc(Cl)cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c1O 1273341 QLTKLHSBPABTTC-UZSVJVCZSA-N 362.769 2.344 50 40 FEGB COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc2c(c1)CCC(=O)N2 8984890 CBSDNEZRLHZPLR-UHFFFAOYSA-N 373.796 2.308 50 40 FEGB O=C(COC(=O)C1C2CC3CC(C2)CC1C3)NNC(=O)c1cccs1 60695033 VLGOOJMZZCLIOO-UHFFFAOYSA-N 362.451 2.125 50 40 FEGB CC(C)(C)[Si](OCCN1CCNCC1)(c1ccccc1)c1ccccc1 198231847 VHTGWHWKPHHGHK-UHFFFAOYSA-N 368.597 2.468 50 40 FEGB in-vitro COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)cc2c1OCO2 8783262 NTCKKRUZZHJSGL-CYBMUJFWSA-N 354.366 2.489 50 40 FEGB biogenic,in-vitro N#CC1=C(N)SC(N)=C(C#N)C12CCN(C(=O)c1ccccc1)CC2 20528954 YPXMSVKWPMEPEP-UHFFFAOYSA-N 351.435 2.044 50 40 FEGB Cc1c(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)oc2c(F)cccc12 32718835 HGQVAVYEPMPTMF-OAHLLOKOSA-N 370.336 2.481 50 40 FEGB O=C(NNC(=O)c1cc2sc3ccccc3c2s1)C(=O)NC1CC1 10214974 CRZTTXKHUYURMT-UHFFFAOYSA-N 359.432 2.156 50 40 FEGB Cc1cccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccco3)s2)c1 59498634 VWLMVEFLHGLYKL-VCHYOVAHSA-N 369.406 2.385 50 40 FEGB COCCn1c(C)cc2c(c1=O)[C@@H](c1ccccc1F)C(C#N)=C(N)O2 2364272 IIGVZLSLUPATRA-INIZCTEOSA-N 355.369 2.160 50 40 FEGB Cc1cccc(-n2cnc(C(=O)NNC(=S)Nc3ccccc3)c2)n1 13571623 HZIHMEUDXCSJHM-UHFFFAOYSA-N 352.423 2.207 50 40 FEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Cl)c1ccccc1 4502904 DVTDNFJOUQLIAK-WOJGMQOQSA-N 365.842 2.256 50 40 FEGB CS(=O)(=O)[C@H](Br)[C@@H](O)c1ccc(Br)cc1 96518994 IEFNYPMLESCPFB-IUCAKERBSA-N 358.051 2.248 50 40 FEGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2ccccc2)C1 3084754 ARRMPIMJHKTOLV-HIPSJFSSSA-N 352.350 2.098 50 40 FEGB CCOc1cc(/C=C(\C#N)C(=O)NNC(=O)c2ccccc2)ccc1O 2776179 PMASDLFIUAJNNJ-XNTDXEJSSA-N 351.362 2.159 50 40 FEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc2ccccc2[nH]c1=O 16839886 SGEWXENZOCXGAQ-YBFXNURJSA-N 350.334 2.129 50 40 FEGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 7783584 BYHQRYZGGZWMDD-RGVLZGJSSA-N 369.377 2.293 50 40 FEGB COc1ccccc1OCC(=O)NNC(=O)c1cc(Cl)ccc1F 12939177 DENCSQNWJLVVGB-UHFFFAOYSA-N 352.749 2.328 50 40 FEGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(O)cc1O)c1ccccc1 408978332 IHBOWETXJOXOQQ-DORSJAEJSA-N 371.393 2.425 50 40 FEGB CCOc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(OC)cc2)cc1OC 38344229 BSLCEJYQLMTVQK-NDENLUEZSA-N 371.393 2.191 50 40 FEGB CC(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)/C(=N\O)C(=O)Nc1ccccc1 96901494 MMZALVKEXIQGDI-WFSBFUJCSA-N 369.337 2.169 50 40 FEGB O=C(NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O)c1ccccc1 23109313 RHVBQTAGAHSMOV-UHFFFAOYSA-N 365.364 2.111 50 40 FEGB Cc1cccc(C)c1N1C[C@H](C(=O)NNC(=O)c2ccccc2)CC1=O 7928367 VLBUJTDTKPGXEW-MRXNPFEDSA-N 351.406 2.118 50 40 FEGB O=C(CNc1nc2ccccc2s1)NNC(=O)Cc1ccccc1F 12799174 LJPNUPSTCPLJBK-UHFFFAOYSA-N 358.398 2.237 50 40 FEGB Cc1nn(C)c(C)c1CC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2 9882895 SJNQJBCOMQCRBM-JTQLQIEISA-N 360.483 2.227 50 40 FEGB O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1ccc2c(c1)OCCO2 53625713 GTILFIFWHYPSPX-UHFFFAOYSA-N 365.389 2.333 50 40 FEGB COc1ccc(C(=O)N/N=c2/c(=O)c3cccc4cccc2c43)cc1OC 3233705 HLKBUBAPFSSLRO-ZBJSNUHESA-N 360.369 2.492 50 40 FEGB CC[C@@](C)(CC(=O)O)CC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 9317371 KZHWXFMEAZDFOP-GOSISDBHSA-N 358.398 2.119 50 40 FEGB COc1ccc2c(C)c(CCC(=O)NNC(=O)CC(C)C)c(=O)oc2c1 14136736 JCPQSXPHOXQGIY-UHFFFAOYSA-N 360.410 2.236 50 40 FEGB CCOC(=O)COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OC 409367851 IFMQSBQVLGMEJU-XNTDXEJSSA-N 358.394 2.166 50 40 FEGB O=C(NNc1nc(-c2ccccc2)no1)[C@H]1Cc2cc(F)ccc2NC1=O 1543782740 SPJNKZHMVGQGPJ-ZDUSSCGKSA-N 367.340 2.130 50 40 FEGB C[C@@H](Oc1ccc(/C=N\NC(=O)c2cccc(N(C)C)c2)cc1)C(=O)O 30803286 VCDNNNTUAATNKF-UAAGNOOKSA-N 355.394 2.368 50 40 FEGB COc1ccc(C(=O)N/N=C/c2cc(OC)c(O)c(OC)c2)cc1OC 3392675 QOLRYLKVWHEKHL-VXLYETTFSA-N 360.366 2.191 50 40 FEGB O=C(NNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccncc1 5094640 NZSNSYUISZCBSK-UHFFFAOYSA-N 369.381 2.055 50 40 FEGB CC[C@@H](O)CC(C(=O)NNc1ccccc1)C(=O)NNc1ccccc1 2187218 GGTVZZHSMUZWQY-MRXNPFEDSA-N 356.426 2.050 50 40 FEGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(C)cc2)cc1 59433823 MQRLFLQOCSXWEX-UDWIEESQSA-N 353.378 2.261 50 40 FEGB CC(C)(CCl)C(=O)N1CCN(c2ccc(-c3cccnc3)nn2)CC1 12443408 PKTWLGBYHWRWME-UHFFFAOYSA-N 359.861 2.452 50 40 FEGB CCc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccc(C)cc3)C2=O)cc1 2423482 YXFCBQFYJJUBQQ-KRWDZBQOSA-N 351.406 2.124 50 40 FEGB CCOc1ccc([C@H]2CC(=O)N3CN(CCO)CSC3=C2C#N)cc1 20347979 VYNDJEOJXCAFCG-OAHLLOKOSA-N 359.451 2.092 50 40 FEGB Cc1ccc(C(=O)NNC(=O)C[C@@](O)(c2ccco2)C(F)(F)F)c(C)c1 12978370 RMGQPFBASLAYHR-MRXNPFEDSA-N 370.327 2.498 50 40 FEGB N#CCC(=O)N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 4738606 SQRKCCQKYLJEDQ-AWQFTUOYSA-N 350.334 2.345 50 40 FEGB CNC(=O)/C(C#N)=C/c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O 2211131 NRSWHTUNPHGSSX-ZRDIBKRKSA-N 364.336 2.279 50 40 FEGB COc1cccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 8166678 JUCUXIPWBAEEGG-FVUPAENESA-N 355.369 2.338 50 40 FEGB COc1cccc(C(=O)N/N=C/c2cn(CCC(N)=O)c3ccccc23)c1 6954303 XZPVQCYAXKPFDG-WSDLNYQXSA-N 364.405 2.289 50 40 FEGB CCOc1ccc(-n2c(SCC(=O)NN)nnc2-c2ccccc2)cc1 36724718 ATVVJTRFKZIOCM-UHFFFAOYSA-N 369.450 2.415 50 40 FEGB COc1cc(C(=O)NNC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC 2629724 JGFHQKDGUGQHDU-UHFFFAOYSA-N 358.394 2.404 50 40 FEGB C=CCNC(=O)CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 59515333 MXIGWJXMSPVATG-HYARGMPZSA-N 351.406 2.408 50 40 FEGB O=C(NNC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccco1 12941652 HHLYATHCZKRZSE-UHFFFAOYSA-N 354.366 2.098 50 40 FEGB CS(=O)(=O)N(CC(=O)N/N=C\c1cccc(Cl)c1)C1CCCCC1 34700871 ODNMKGMTFZGIJU-WQRHYEAKSA-N 371.890 2.384 50 40 FEGB COc1ccc(Br)cc1/C=N/NC(=O)CC(=O)NCC(C)C 59515320 UXWZNYGTLRDWKZ-GIJQJNRQSA-N 370.247 2.070 50 40 FEGB C[C@@H]1S/C(=C(\C#N)C(=O)NCc2ccco2)N(Cc2ccco2)C1=O 3270632 FDTWHEDENJIGRL-QRAHRUOTSA-N 357.391 2.388 50 40 FEGB CCCn1nc(C(=O)NNC(=O)c2cccc(C)c2)c2ccccc2c1=O 2624606 KNZXSQXMYPCSOI-UHFFFAOYSA-N 364.405 2.190 50 40 FEGB O=C(CCC(=O)NNC(=O)CC1CCCCC1)NCc1ccc(F)cc1 4700642 QBPWDCHVDPVXNF-UHFFFAOYSA-N 363.433 2.340 50 40 FEGB CCc1ccc(OCC(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1 13992851 KFNOAGVIZNPHPI-UHFFFAOYSA-N 356.422 2.471 50 40 FEGB O=C(NNC(=S)NC(=O)c1ccc(Cl)cc1Cl)c1ccncc1 5943855 OPJDBFTWYCJWJW-UHFFFAOYSA-N 369.233 2.338 50 40 FEGB CCOC(=O)[C@H](CCI)NC(=O)OC(C)(C)C 34647762 XWZVZCLLGVPGFH-QMMMGPOBSA-N 357.188 2.268 50 40 FEGB CC1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)/C=C/C=C/C=O)C=C1COC(=O)[C@@]12O 35456765 NTEIYTQTTHYBTI-BEFOBABASA-N 374.433 2.270 50 40 FEGB biogenic COc1cc(OC)cc(C(=O)NNC(=O)c2cc(OC)c(C)c(OC)c2)c1 26900947 SXBUSDPVVKOWFZ-UHFFFAOYSA-N 374.393 2.104 50 40 FEGB C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2F)cc1 8554715 IPCPIIUIVRSZPX-UHFFFAOYSA-N 373.409 2.340 50 40 FEGB O=C(N/N=C/c1ccc2c(c1)CCC2)C(=O)N/N=C/c1ccc2c(c1)CCC2 6528319 OSTIMSSZKRFOAT-RNIAWFEPSA-N 374.444 2.264 50 40 FEGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(OC)c(OC)c(OC)c1 706735 LRHXIJMECIXFOZ-INIZCTEOSA-N 374.393 2.357 50 40 FEGB CCOc1cc(/C=C(/C#N)C(N)=S)cc(Cl)c1OCC(=O)OC 408541573 CBWRXDZONJLDQX-WMZJFQQLSA-N 354.815 2.484 50 40 FEGB O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 584976793 SUPZRLSCHYRGSR-CQSZACIVSA-N 363.144 2.015 50 40 FEGB COC(=O)[C@@H](Br)[C@H](OC(C)=O)c1ccc(OC)c(OC)c1 1673151 QXFPBDSWSBVBSX-QWHCGFSZSA-N 361.188 2.245 50 40 FEGB COC(=O)CC1=C(C(=O)OC)[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O1 808908 PUMPLGKYPFKWIG-CQSZACIVSA-N 362.769 2.138 50 40 FEGB CC1(C)C(=O)[C@@]2(Br)CC[C@@]1(CC(N)=O)[C@@H]2Br 103708661 JGRNXLIZHLAUNY-WHGOUJPWSA-N 353.054 2.148 50 40 FEGB NC(=O)CCn1cc(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc21 8812179 BPFNTOJQEMCQIF-SSDVNMTOSA-N 352.369 2.420 50 40 FEGB CCc1cc2c(=O)n(CC(=O)N/N=C/c3ccc(OC)cc3)cnc2s1 1784380 LFUVASQOVBHUKB-AWQFTUOYSA-N 370.434 2.179 50 40 FEGB CCCOc1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 3294082 NFLPKHHGXVMAOS-QGZVFWFLSA-N 356.378 2.076 50 40 FEGB C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccccc1 408779936 NYXRQNGUEQDIQX-CPNJWEJPSA-N 363.414 2.132 50 40 FEGB O=C(NN=C1CCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 5577665 YESJMZFJHNRNGM-UHFFFAOYSA-N 355.485 2.195 50 40 FEGB CCCOC(=O)[C@H](Br)[C@@H](Br)C(=O)OCCC 1627259 CFUJCIOCXQWFHI-HTQZYQBOSA-N 360.042 2.420 50 40 FEGB O=C(N/N=C/c1ccc(/C=N/NC(=O)c2cccnc2)cc1)c1cccnc1 1573537 QPPCHCQMEGGACV-ASIDMNOUSA-N 372.388 2.004 50 40 FEGB CN(C)N(C(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 12696601 LFFXBDUWQHDACQ-GOSISDBHSA-N 358.463 2.460 50 40 FEGB CCc1ccc[n+](-c2[nH]c(=O)sc2/C=N/NC(=O)c2ccccc2)c1 13739442 XOAPSVPTUSKJDQ-UHFFFAOYSA-O 353.427 2.039 50 40 FEGB COCc1[nH]nc2c1C1(CCN(Cc3ccccc3)CC1)C(C#N)=C(N)O2 5130502 RODLRLJGASHFIJ-UHFFFAOYSA-N 365.437 2.176 50 40 FEGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1ccn(COc2ccc(F)cc2)n1 252488576 IUWVTSOIXSWLAK-AWQFTUOYSA-N 374.351 2.004 50 40 FEGB CCOC(=O)/C(C#N)=C/NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 102140267 ULVCPGZYXWZQOR-YAEPZUJJSA-N 361.417 2.499 50 40 FEGB Cc1cccc(OCC(=O)NNC(=O)c2ccc(-c3cnco3)cc2)c1 54043628 FSEVBWBZRAUQGZ-UHFFFAOYSA-N 351.362 2.490 50 40 FEGB COc1ccc(OCC(=O)N/N=c2/c(=O)c3cccc4cccc2c43)cc1 3229177 SSRPPMYVUQWUNJ-BSYVCWPDSA-N 360.369 2.248 50 40 FEGB COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)cc([N+](=O)[O-])c1O 36145014 WHAGWVFWIPPZQV-DJKKODMXSA-N 373.365 2.455 50 40 FEGB COc1ccc(/C(C)=N/NC(=O)Cn2ccc(C(F)(F)F)n2)c(OC)c1 6512614 MKTFYSHMOWRWHV-KEBDBYFISA-N 370.331 2.460 50 40 FEGB CCCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 4600417 CYWVNTLMYWGYMU-UHFFFAOYSA-N 364.471 2.107 50 40 FEGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 3061748 PBFQZEFNFAWQEU-WOJGMQOQSA-N 356.338 2.082 50 40 FEGB O=C(CCC(=O)c1ccccc1)NNC(=O)c1cncn1-c1ccccc1 7137356 BXYFDNSMSBLBLY-UHFFFAOYSA-N 362.389 2.296 50 40 FEGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1 6646031 CNEFCYUQNONELC-LPYMAVHISA-N 351.406 2.326 50 40 FEGB Cc1nc(C2CC2)nc2sc(C(=O)NNC(=O)[C@@H]3CCCO3)c(C)c12 32260973 FUSCVNFCWBUMJG-NSHDSACASA-N 360.439 2.126 50 40 FEGB Cc1n[nH]c2c1[C@@H](c1cc(O)c(Br)c(O)c1)C(C#N)=C(N)O2 708806 CYZPQMSFMBCIOL-NSHDSACASA-N 363.171 2.110 50 40 FEGB CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 4651727 GAYMGQARULLISQ-VRKREXBASA-N 358.438 2.492 50 40 FEGB CC(=O)NC1=C(N(CCCl)CCCl)C(=O)c2ccccc2C1=O 4778019 VDMCTDSUHVMAQV-UHFFFAOYSA-N 355.221 2.193 50 40 FEGB CC[C@@H](CCC(=O)NNC(=O)c1ccccc1Br)C(=O)O 5024649 BQAJCDCZAPZMOD-VIFPVBQESA-N 357.204 2.101 50 40 FEGB O=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1ccc([N+](=O)[O-])cn1 4739149 GRNNWERJTOTJPI-YBFXNURJSA-N 351.322 2.250 50 40 FEGB Cc1cc(C)cc(OCC(=O)NN[C@H](C(=O)NC2CC2)c2ccccc2)c1 15473514 YMZGKWVREFAJQB-FQEVSTJZSA-N 367.449 2.323 50 40 FEGB O=C(N/N=C/c1ccsc1)c1cccc(S(=O)(=O)N2CCCC2)c1 3525259 QCJCVKROQOPVQY-GZTJUZNOSA-N 363.464 2.297 50 40 FEGB O=C(N/N=C/c1ccccc1O)C1CCN(C(=O)c2ccccc2)CC1 108781333 HIALLGJALQNNAH-KGENOOAVSA-N 351.406 2.395 50 40 FEGB COc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)C(C)C)cc1 408995355 BQKAWSIROLXDFQ-UHFFFAOYSA-N 355.394 2.365 50 40 FEGB CCC(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 2064445 NDTNSZSYVDPULK-UHFFFAOYSA-N 357.435 2.311 50 40 FEGB Cc1cccc(N2C(=O)C[C@@H](NNC(=O)c3cccc(Cl)c3)C2=O)c1 100097038 COHALSLAAOQADP-OAHLLOKOSA-N 357.797 2.215 50 40 FEGB CCC(=O)Nc1nnc(CC(=O)N/N=C/c2c[nH]c3ccccc23)s1 1958392 MCIVZKDVZNJZOI-GIJQJNRQSA-N 356.411 2.061 50 40 FEGB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCC(=O)N/N=C/c1ccccc1O)C2=O 5727911 SZYPWHVIDUGLEX-YPZNKKLGSA-N 371.437 2.044 50 40 FEGB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2I 35682659 OSXULWILVPDVGY-JTQLQIEISA-N 360.195 2.464 50 40 FEGB COC(=O)C1CCN(S(=O)(=O)c2ccc(CCCCl)cc2)CC1 58170918 KNSZCWWRIIEXFE-UHFFFAOYSA-N 359.875 2.432 50 40 FEGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccccc2)c(C)c1 4508640 OQKNCYKMICTNBD-UHFFFAOYSA-N 369.421 2.249 50 40 FEGB CCOC(=O)[C@@H](CC)/C(C)=N/NC(=O)c1cc(OC)c(OC)c(OC)c1 4523973 HHAKEXPPOROJRZ-MDBUFAAASA-N 366.414 2.407 50 40 FEGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccco2)sc(C(N)=O)c1C 6825036 VBIFQKKSIJECMQ-RMKNXTFCSA-N 359.363 2.081 50 40 FEGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(N2CCCC2)o1 408849867 ZZGHIXLTFAKLID-WQRHYEAKSA-N 358.354 2.317 50 40 FEGB COc1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1 250445295 OSEAXCUOZSYCBU-UQPQVDFHSA-N 366.211 2.205 50 40 FEGB Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2C(F)(F)F)o1 4086387 PYOCRIMOIVCXJZ-ODCIPOBUSA-N 353.300 2.487 50 40 FEGB O=C(N/N=C\c1ccccc1I)c1ccncc1 16449115 TZODGEFBHUVYGF-SXGWCWSVSA-N 351.147 2.450 50 40 FEGB N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@H]1c1ccccc1C(=O)O 1070338 LFFYQRWJUBIHQS-AWEZNQCLSA-N 359.345 2.388 50 40 FEGB CC(=O)O[C@H]1C[C@H](Br)[C@@H](Br)C[C@H]1OC(C)=O 2187245 XXYPEZQMKPVAQY-AATLWQCWSA-N 358.026 2.171 50 40 FEGB CCCCc1n[nH]c2c1[C@@]1(C(=O)Nc3ccc(F)cc31)C(C#N)=C(N)O2 8568086 ZIOIFCIAIZEWBS-SFHVURJKSA-N 353.357 2.216 50 40 FEGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3ccccn3)CC2)c1 409005424 INQBCRNFUGJQCJ-HYARGMPZSA-N 366.421 2.093 50 40 FEGB C=CCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C 408964550 UWEHPENJHYEDDL-WSDLNYQXSA-N 352.438 2.463 50 40 FEGB C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)C[C@H](OC(=O)CC(C)C)[C@H]12 958318597 XZPCFZLGAZNCOI-SCTDSRPQSA-N 362.422 2.270 50 40 FEGB biogenic,in-vitro COc1ccc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)c(OC)c1 6266047 GXIPOZVISQIJKO-QPSGOUHRSA-N 371.422 2.363 50 40 FEGB CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2cccs2)c1 6358506 IIWHVIGCWOMTNF-UHFFFAOYSA-N 363.464 2.485 50 40 FEGB C/C(CC(=O)NC[C@H]1CCCO1)=N\NC(=O)c1cc2ccccc2cc1O 101510142 UKTLBCGSYJUEIK-QLPFJNHISA-N 369.421 2.336 50 40 FEGB COc1c(O)ccc(/C=N\NC(=O)COc2cccc(C)c2C)c1[N+](=O)[O-] 13945566 ZBEKJZSKFHLSQP-OCKHKDLRSA-N 373.365 2.455 50 40 FEGB CCOc1ccc(/C=N/NC(=O)c2nn(C)c(=O)c3ccccc23)cc1 6507298 IEQPJOVQRTYRFF-UDWIEESQSA-N 350.378 2.096 50 40 FEGB O=C(Cc1c[nH]c2ccccc12)NNS(=O)(=O)c1ccc(Cl)s1 7384029 QBYWPJUYYJFEKW-UHFFFAOYSA-N 369.855 2.435 50 40 FEGB Cn1cc(C(=O)NNS(=O)(=O)c2ccc(F)cc2F)c2ccccc21 7907324 ROVLIDXCASSOLP-UHFFFAOYSA-N 365.361 2.080 50 40 FEGB O=C(Cc1ccccc1)NNS(=O)(=O)c1ccccc1Br 8771942 RYTSNHQNUDTSLG-UHFFFAOYSA-N 369.240 2.001 50 40 FEGB O=C(Cl)Cc1ccc(-c2nn3c(CC(=O)Cl)nnc3s2)cc1 100677330 MYGIKTZXPLKLLP-UHFFFAOYSA-N 355.206 2.469 50 40 FEGB CN1C(=O)[C@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CCCC[C@@H]32)c2ccccc21 4102760 PEZJSTDHNRFYFO-QKKBWIMNSA-N 355.401 2.411 50 40 FEGB COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)O)c1OC 1513207 LMMSTEBQYVEOSA-GIJQJNRQSA-N 373.321 2.074 50 40 FEGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1 408880140 DNTUKEXQFZZDNG-IUOVYFEOSA-N 353.378 2.325 50 40 FEGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccco2)cc1OC 14134779 MKOQAJIDWOLYMA-QGMBQPNBSA-N 366.757 2.257 50 40 FEGB COc1cc(N2CCOCC2)ccc1/C=N\NC(=O)c1ccccc1O 19720309 LLTUKHLEFMZUAC-MOSHPQCFSA-N 355.394 2.001 50 40 FEGB CC1(C)OC(=O)C(=C2[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3[C@H](Br)[C@H]6[C@H]25)C(=O)O1 169797353 RJGIOBOOMIYNRD-AGYPXYNNSA-N 365.223 2.270 50 40 FEGB C/C(CC(=O)Nc1ccc2c(c1)OCO2)=N\NC(=O)c1ccccc1N 100758283 MGBSYVGOLVTBCY-SRZZPIQSSA-N 354.366 2.132 50 40 FEGB Cc1ccc(OCCCC(=O)NNC(=O)COc2ccccc2C#N)cc1 6981862 LEGANQWORXPEAI-UHFFFAOYSA-N 367.405 2.252 50 40 FEGB CCCn1nc(C(=O)NNC(=O)c2cc(C)oc2C)c2ccccc2c1=O 13006204 JMXVWLVXSYXEBZ-UHFFFAOYSA-N 368.393 2.091 50 40 FEGB Cc1cc(Br)cc(C)c1NC(=O)c1cc(B(O)O)ccc1F 169995105 ASIMBKCICLAHPI-UHFFFAOYSA-N 365.995 2.137 50 40 FEGB in-vitro COc1cc(/C=N/NC(=O)c2cccnc2)c(Br)cc1O 1436853 GOEBCHSBDRMFKW-CAOOACKPSA-N 350.172 2.322 50 40 FEGB C=CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1 20029538 CJDMOIJFLXDRSX-QGZVFWFLSA-N 369.446 2.330 50 40 FEGB CC[C@@H](NNC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1cc(C)on1 32853653 APQMOLKKTXDFGE-CYBMUJFWSA-N 350.806 2.217 50 40 FEGB COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1ccco1 881032 GZIBMAJMVAXDGM-VXLYETTFSA-N 368.349 2.303 50 40 FEGB CCc1ccccc1N(CC(=O)NN=C1CCCCC1)S(C)(=O)=O 408779185 BOPIQOQJZMXWJJ-UHFFFAOYSA-N 351.472 2.451 50 40 FEGB O=C(Cc1ccccc1)N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 33876210 XDRSFPGVPRNQQZ-ZHZULCJRSA-N 368.393 2.124 50 40 FEGB CNc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CNc1ccc(C)cc1C 12533526 BXHFHHGBVOVJMB-UHFFFAOYSA-N 371.397 2.126 50 40 FEGB Cc1ccc(C)c(OCCC(=O)NNC(=O)COc2ccccc2C#N)c1 15978275 NTRNSFDXXTYQJG-UHFFFAOYSA-N 367.405 2.170 50 40 FEGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cnc3ccccc3n2)c1O 4643972 PSCYQCCRJVIUDU-UFWORHAWSA-N 367.321 2.016 50 40 FEGB Cc1ccccc1OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl 940934 ZACOORPGDDFNCQ-UHFFFAOYSA-N 363.757 2.397 50 40 FEGB Cc1ccccc1-c1n[nH]c(SCC(=O)NNC(=O)c2ccccc2)n1 20195658 QFSXMUXCQCBHNZ-UHFFFAOYSA-N 367.434 2.333 50 40 FEGB Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 52411103 HSIZTFFGIQODRH-CQSZACIVSA-N 371.824 2.463 50 40 FEGB N#CC1=C(N)Oc2nc(O)[nH]c(=O)c2[C@H]1c1cccc(Oc2ccccc2)c1 5025421 AWRAGXJXAKKRKL-HNNXBMFYSA-N 374.356 2.486 50 40 FEGB NNC(=O)COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 5321966 YFTGLZFAGONENX-CHHVJCJISA-N 362.744 2.464 50 40 FEGB COc1ccc(CC(=O)NNC(=O)c2cc(=O)c3cc(C)ccc3o2)cc1 14159642 XMKWJMQBDUHTLJ-UHFFFAOYSA-N 366.373 2.114 50 40 FEGB COc1cccc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)c1OC 409365387 QPNUPHCLLYXOMZ-NDENLUEZSA-N 356.378 2.168 50 40 FEGB COc1cc(/C=N\NC(=O)c2cncc(Br)c2)ccc1O 31902262 OUBNGESRGULLSJ-FMQZQXMHSA-N 350.172 2.322 50 40 FEGB O=C(N/N=C/c1ccc(F)s1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 252495943 PDTSOCBCDDEBIV-OMCISZLKSA-N 363.330 2.397 50 40 FEGB CCN(CC)CN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21 19882700 YBYOJICWSZAVSF-UZYVYHOESA-N 350.422 2.467 50 40 FEGB COc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1 2132097 JMIOXMSGNPVKOC-UHFFFAOYSA-N 369.421 2.492 50 40 FEGB COc1ccc(CC(=O)NNC(=O)CSc2ccccc2)cc1OC 3400828 IHASYDJZKWZIFP-UHFFFAOYSA-N 360.435 2.186 50 40 FEGB CC(C)c1ccc(OCC(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 4724014 WXDFVVZDHCGEJM-CVEARBPZSA-N 362.426 2.227 50 40 FEGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccco2)S(C)(=O)=O)cc1 408772957 NSMZTAFBTGGTIQ-WOJGMQOQSA-N 363.439 2.319 50 40 FEGB COc1ccc(OC)c(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)c1 409256284 LGAJJFYCJOIYMW-VCHYOVAHSA-N 359.338 2.385 50 40 FEGB O=C(N/N=C/c1ccc(F)c(Br)c1)c1cc(O)c(O)c(O)c1 5749370 QVGUDTDXCLYLME-UBKPWBPPSA-N 369.146 2.469 50 40 FEGB CN1C(=O)/C(=N\NC(=O)CSc2nc3ccccc3o2)c2ccccc21 102989959 ZKSMVBYLOJORBA-PGMHBOJBSA-N 366.402 2.417 50 40 FEGB N#CC1=C([C@H](C#N)c2nc3ccccc3s2)NC(N)=C(C(N)=S)C1 103556174 ADEXDTRXQGXURP-JTQLQIEISA-N 352.448 2.131 50 40 FEGB Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(C)c1 14241071 VPKOEBAFOYGDGY-QGZVFWFLSA-N 365.433 2.113 50 40 FEGB O=C(Cc1ccccc1)NNC(=O)c1ccc(OCC(F)(F)F)nc1 14231949 ALNHLRGHAAKPTJ-UHFFFAOYSA-N 353.300 2.026 50 40 FEGB CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCl 9596204 OETOYNXZJCUAHE-UHFFFAOYSA-N 359.879 2.105 50 40 FEGB COc1cc([C@H]2c3c(ccc(O)c3OC)C=C(C=O)[C@@H]2CO)ccc1O 14883365 ZLCZJORNMCGOTR-KBXCAEBGSA-N 356.374 2.451 50 40 FEGB biogenic Nc1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 8747677 VZQQFXBKTHOJMB-UHFFFAOYSA-N 358.398 2.154 50 40 FEGB Cc1cc(C(=O)NNC(=O)NCc2ccnc(N3CCCC3)c2)c(C)o1 26303269 NJANRJLWHWZIMA-UHFFFAOYSA-N 357.414 2.036 50 40 FEGB COc1cccc2cc(C(N)=O)/c(=N\NC(=O)c3cccc(Cl)c3)oc12 58196811 LVDGUHDEUIOIGR-RELWKKBWSA-N 371.780 2.439 50 40 FEGB C[C@@H]1N[C@@H]([N+](=O)[O-])[C@@H](Br)N1CC(=O)c1ccc(Cl)cc1 100291951 QKYIEVDEIZBHLQ-MKCWBWRRSA-N 362.611 2.098 50 40 FEGB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCl 4218773 BGQZHQYOHAZNRK-UHFFFAOYSA-N 360.863 2.437 50 40 FEGB C[C@]1(O)NC(C(=C=N)C#N)=C(C#N)[C@H](c2ccc(F)cc2)[C@H]1[n+]1ccccc1 33821092 XYDJRGLUIHJXKY-CEWLAPEOSA-N 374.399 2.226 50 40 FEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1 47080829 VHJSIVWXEUYCPB-CYBMUJFWSA-N 357.797 2.154 50 40 FEGB O=C(O)COc1ccccc1/C=N/NC(=O)CN1CCCc2ccccc21 8124841 GDVNTQIMLHPBBE-CIAFOILYSA-N 367.405 2.053 50 40 FEGB C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1ccccc1O 100505490 AYILCHXFOUWIBL-YBFXNURJSA-N 356.338 2.435 50 40 FEGB Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(N)=O)cc1 4205581 VPOIBMPXYSNBIW-GXDHUFHOSA-N 360.373 2.496 50 40 FEGB COC(=O)/C(C#N)=C/c1c(N2CCCCC2)nc2c(C)cccn2c1=O 2200235 WHMOVMMUZKJYNW-SDNWHVSQSA-N 352.394 2.073 50 40 FEGB COc1ccc(F)c([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 16034499 WAJVMPHKGNJCRO-SJLPKXTDSA-N 363.396 2.189 50 40 FEGB Cc1cc(C)nc(NNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 14511849 SBRWPLXHTNSOJZ-UHFFFAOYSA-N 356.386 2.359 50 40 FEGB COc1ccc(C(=O)NNC(=O)N(C)Cc2ccc(F)cc2)cc1OC 32795426 JDKACDFVROKWTL-UHFFFAOYSA-N 361.373 2.329 50 40 FEGB COc1cccc(NCC(=O)NNC(=O)c2ccc3ncsc3c2)c1 12549835 TWIRNQZKEMFZGK-UHFFFAOYSA-N 356.407 2.178 50 40 FEGB N#CC(C#N)=C(N)[C@]1(C#N)[C@H](c2cccc(Br)c2)C1(C#N)C#N 6668821 RTZQLOXMTJQUPE-CJNGLKHVSA-N 363.178 2.350 50 40 FEGB COc1ccccc1C(=O)NNC(=O)CNc1nc2ccccc2s1 15517540 UGOWJRJPJIBERM-UHFFFAOYSA-N 356.407 2.178 50 40 FEGB O=C(CCC(=O)Nc1ccccc1)NNC(=O)Cn1ccc2ccccc21 199413466 KPHMRKMNXVVLSS-UHFFFAOYSA-N 364.405 2.208 50 40 FEGB Cc1nc2ccccc2n1CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 4619562 LEEWQVXPSLLOHE-GIJQJNRQSA-N 353.338 2.109 50 40 FEGB Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2ccccc2)c(C)c1 6607382 UDVSRTCIRQSVMV-YBFXNURJSA-N 359.451 2.040 50 40 FEGB O=C(N/N=C\c1c(F)cccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 58885150 CNDZBCILGHVIDD-LSCVHKIXSA-N 364.720 2.476 50 40 FEGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccccc1C#N 6790640 HAJIPUPZNPBWBR-UHFFFAOYSA-N 373.796 2.125 50 40 FEGB Cc1ccc(C)c(OCC(=O)NNC(=O)C[C@H]2OC(=O)c3ccccc32)c1 49984206 ZDZZMHKCBAKTHD-QGZVFWFLSA-N 368.389 2.131 50 40 FEGB CCn1nc(C)c2c(C(=O)N/N=C/c3c(C)nn(C)c3F)cc(C)nc21 252489116 JFWWCJJBFVPKTE-UFWORHAWSA-N 357.393 2.013 50 40 FEGB Cc1ccc(C(=O)NNC(=O)N2CCN(Cc3cccs3)CC2)cc1 21782167 FNJHCGRWNAJNMJ-UHFFFAOYSA-N 358.467 2.229 50 40 FEGB Cc1cc(/C=N/NC(=O)C(N)=O)c(C)n1-c1cc(Cl)cc(Cl)c1 7993075 QVKSDTRIAADNIM-FBCYGCLPSA-N 353.209 2.336 50 40 FEGB COc1ccc(CC(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])cc1OC 36239655 MSJQQOVUQGMCON-VCHYOVAHSA-N 359.338 2.010 50 40 FEGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2cccs2)S(C)(=O)=O)c1 20208424 VOMXNDHRVIYTKI-LICLKQGHSA-N 365.480 2.281 50 40 FEGB COc1ccc2nc(N/C=C3\C(=O)N(C)C(=O)C(C#N)=C3C)sc2c1 5576434 DEHALNAZMBCYMU-WQLSENKSSA-N 354.391 2.439 50 40 FEGB CS(=O)(=O)c1cc(C(=O)NNc2ccccc2[N+](=O)[O-])ccc1Cl 15502871 FMMPJVKQYNNDRR-UHFFFAOYSA-N 369.786 2.409 50 40 FEGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCC(=O)OCC 59334875 IKRCQHNFFLBDJX-YBEGLDIGSA-N 372.421 2.361 50 40 FEGB O=C(NNS(=O)(=O)c1ccc(F)cc1)c1cc2c(s1)CCCC2 12755374 NGYFRHSHRHYHFI-UHFFFAOYSA-N 354.428 2.389 50 40 FEGB O=C(NNC(=S)NCc1ccc2c(c1)OCO2)c1c[nH]c2ccccc12 6543170 ATCCTVYRCBCVHX-UHFFFAOYSA-N 368.418 2.206 50 40 FEGB O=C(COC(=O)c1cc2c(s1)CCCC2)NNC(=O)c1cccs1 6883883 QGKYEFQNQYBIJC-UHFFFAOYSA-N 364.448 2.306 50 40 FEGB Cn1c(CC(=O)NNC(=O)c2ccc(F)cc2Cl)nc2ccccc21 7738446 VZRLIAGYJLZODW-UHFFFAOYSA-N 360.776 2.370 50 40 FEGB Cc1ccc(S(=O)(=O)N2C[C@@H](Br)C(=O)C(C)(C)C2)cc1 91301864 OGLJPDCEBNTHAD-GFCCVEGCSA-N 360.273 2.358 50 40 FEGB CCOC(=O)/C(C#N)=C(/NNc1ccccc1)c1ccncc1C(=O)O 16958919 KCHUIWDHSQEOFG-JQIJEIRASA-N 352.350 2.194 50 40 FEGB COc1cc(C(=O)NNC(=O)c2ccccc2)cc(Br)c1O 17170398 QBVUJUYHKDSXRA-UHFFFAOYSA-N 365.183 2.238 50 40 FEGB Nc1nnc(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)s1 666150 FHHWHNLJSBUXPI-RGVLZGJSSA-N 367.434 2.392 50 40 FEGB O=C(CC(=O)N/N=C\c1c(O)ccc2ccccc12)NCc1cccnc1 58885186 YJMZARRARFOEEG-QRVIBDJDSA-N 362.389 2.097 50 40 FEGB CN(C)C(=O)[C@@H]1CC[C@](C)(C(=O)O)[C@]1(C)CI 4981883 QVZLRUVLDDIRGR-XXILOJSOSA-N 353.200 2.017 50 40 FEGB CN(c1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1)S(C)(=O)=O 409115588 MVWQLVBXPYMSRE-WOJGMQOQSA-N 365.842 2.500 50 40 FEGB COc1cc(N2CCOCC2)ccc1/C=N\NC(=O)c1cccc(O)c1 409235725 DHSNXFFSDPNWSK-MOSHPQCFSA-N 355.394 2.001 50 40 FEGB CC[C@@H](C(=O)N/N=C/c1cnn(CC)c1F)n1cc(Br)cn1 252503276 VANZJNGKABHGQK-MYZIAMLESA-N 371.214 2.103 50 40 FEGB CC1CCN(C(=O)C(=O)N/N=C/c2ccc(Br)cc2)CC1 3089043 VWDNXLGZFVSSAU-LICLKQGHSA-N 352.232 2.158 50 40 FEGB O=C1[C@@H](Cl)[C@@H](c2cccc([N+](=O)[O-])c2)N1n1cnc2ccccc2c1=O 5838562 GLIPMQANQSVZFV-LSDHHAIUSA-N 370.752 2.132 50 40 FEGB COc1ccc(C(=O)NNC(=O)c2ccc(Br)o2)cc1OC 3237260 YAZCSPFFRUPUDO-UHFFFAOYSA-N 369.171 2.134 50 40 FEGB COc1cc(OC)c(OC)cc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-] 108234408 QEWXGJGJDNKQKH-ODLFYWEKSA-N 373.365 2.313 50 40 FEGB Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)o1 408586910 DAODARGBTNIAEK-WOJGMQOQSA-N 358.354 2.097 50 40 FEGB O=C(NNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 8290318 PTHTZYDJKBETRS-UHFFFAOYSA-N 368.393 2.272 50 40 FEGB CCCc1[nH]nc2c1[C@@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 18083908 RWKXJNWNTFOJQN-ZDUSSCGKSA-N 371.353 2.203 50 40 FEGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OC(C)=O 408762333 ODNSXBDPPSDTAD-ONNFQVAWSA-N 353.172 2.165 50 40 FEGB CCn1c(SCC(=O)/C(C#N)=C(/C)N)nnc1-c1ccccc1OC 104775050 SYHVDKZLXHMWON-QBFSEMIESA-N 357.439 2.391 50 40 FEGB COc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc3ccccc23)cc1 4838906 OWRLHBDMTGHVLT-UHFFFAOYSA-N 363.373 2.248 50 40 FEGB CCNc1ccc(C(=O)N/N=C2/C(=O)Nc3ccccc32)cc1[N+](=O)[O-] 6711532 PCUFMBXUJIVGLY-UHFFFAOYSA-N 353.338 2.113 50 40 FEGB C/C(=N/NC(=O)c1[nH]ncc1Br)c1ccc([N+](=O)[O-])cc1 1507716 LHIHIOHLHZIOFM-CHHVJCJISA-N 352.148 2.234 50 40 FEGB COc1ccc(CC(=O)NNC(=O)c2ccc(Br)o2)cc1 4525807 JRDLLZBZMGOLEV-UHFFFAOYSA-N 353.172 2.054 50 40 FEGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)NCCOC)cc1OCC 408816352 JLRLAQMCQRXNFH-NTEUORMPSA-N 362.813 2.420 50 40 FEGB CCc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3C)CC2=O)cc1 15692222 UEYOOSBYRKJYSO-INIZCTEOSA-N 365.433 2.372 50 40 FEGB COc1cc(OC)cc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1 6169956 DOAMTOGXQHJOPX-QGMBQPNBSA-N 373.321 2.105 50 40 FEGB COc1ccc(/C(C)=N\NC(=O)[C@@H](c2ccncc2)N2CCOCC2)cc1 20029314 CLWSQWHDYDXBLE-MLPWYGTASA-N 368.437 2.004 50 40 FEGB CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2cccs2)cc1 6450702 GYHBNYZKDNJGGR-UHFFFAOYSA-N 363.464 2.025 50 40 FEGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)NCc2ccccc2)cc1 3224059 KADBKDIMKHLOEK-GZTJUZNOSA-N 350.374 2.462 50 40 FEGB CCS(=O)(=O)[C@H](I)C(=O)c1ccc(C)cc1 96517959 VMUJXRJPTXTTIB-NSHDSACASA-N 352.193 2.374 50 40 FEGB Cc1ccc([N+](=O)[O-])cc1NCC(=O)NNC(=S)NCc1ccccc1 4954328 XWMQUWSBVPHKEU-UHFFFAOYSA-N 373.438 2.011 50 40 FEGB CCOC(=O)/C(C#N)=C/c1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1 13135304 RYGVNEZHUJOGHF-LERPTODRSA-N 360.410 2.411 50 40 FEGB CCc1ccccc1OCC(=O)NNC(=O)c1ccc(Br)o1 9835068 AHDSTEIWCKOQSY-UHFFFAOYSA-N 367.199 2.445 50 40 FEGB CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 408804848 ZRYMZHKGMCFVQH-RVDMUPIBSA-N 365.389 2.366 50 40 FEGB NNC(=O)c1cn(C(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc12 226368272 HNGJNOBWVKYIFE-UHFFFAOYSA-N 358.741 2.495 50 40 FEGB Cc1cc(NC(=O)CCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)no1 4169241 FZHXYQJKMWDZJH-UHFFFAOYSA-N 372.425 2.460 50 40 FEGB CCCc1cc(C(=O)NNC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)cs1 6636471 FJCJOGAMRAYXOZ-PKIAMQTDSA-N 362.451 2.375 50 40 FEGB O=C(O)COc1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1 409363609 MORGTEPNPYVRPX-AWQFTUOYSA-N 361.785 2.366 50 40 FEGB O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)c2ccco2)C1 32901298 GMMHTJYSQOJSFS-GFCCVEGCSA-N 358.354 2.183 50 40 FEGB Cn1/c(=N\NC(=O)NCc2ccc3c(c2)OCO3)sc2ccccc21 104390659 XWHQCVIHRXYXPF-LVZFUZTISA-N 356.407 2.284 50 40 FEGB COc1cccc(/C=N/NC(=O)c2cncc(Br)c2)c1O 3141569 WKLVWNBMRJKVQF-REZTVBANSA-N 350.172 2.322 50 40 FEGB C[C@H]1CCc2sc(C(=O)NNC(=S)NC[C@@H]3CCCO3)cc2C1 6337003 QENOPVAFJXPJCY-JQWIXIFHSA-N 353.513 2.161 50 40 FEGB O=C(CN1CCOCC1)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 19851676 ANZGGFSCSHYURD-LPYMAVHISA-N 371.412 2.187 50 40 FEGB COc1ccc(C)cc1N(CC(=O)NN=C1CCCCC1)S(C)(=O)=O 408777769 IFHTZBWZBMFJBN-UHFFFAOYSA-N 367.471 2.206 50 40 FEGB CCNC(=O)C(=O)N/N=C/c1cc(C(=O)O)ccc1Nc1ccccc1C 408708064 NRXBPNDKABFTBG-SRZZPIQSSA-N 368.393 2.023 50 40 FEGB CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1cccs1 2057410 DAAWDBKEPKIMTB-LEKRSAHOSA-N 373.434 2.382 50 40 FEGB O=C(N/N=C/c1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 3067423 DXJZHJLVIOSEPQ-FCQRQVBFSA-N 369.352 2.058 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1OC 3072747 ZSDLFOIWJDNVFH-RGVLZGJSSA-N 355.394 2.409 50 40 FEGB CC(=O)N1C(=O)/C(=C(/C#N)C(=O)NCCc2ccccc2)c2ccccc21 12604904 OFBCNISTLYGHAT-ZPHPHTNESA-N 359.385 2.216 50 40 FEGB C=CCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccccc2C(=O)OC)C1=O 9422369 QSWXNGBTPUIIFW-PTNGSMBKSA-N 351.362 2.164 50 40 FEGB CNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@H]3c1ccccc1 8682472 WAMYOVYCWRWCNU-SNVBAGLBSA-N 351.391 2.244 50 40 FEGB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NNC(=O)c1cccc([N+](=O)[O-])c1 100671255 BGQGDECVWSYMGC-NYYJTOMGSA-N 373.409 2.077 50 40 FEGB O=C(NNC(=O)c1ccc(Br)o1)c1cccc([N+](=O)[O-])c1 668162 CUCZOKLXWHATAQ-UHFFFAOYSA-N 354.116 2.025 50 40 FEGB C/C(=N\NC(=O)CSc1nc2nc(C)cc(C)n2n1)c1ccccc1 680269 RVGOYHAGDRPTRB-DEDYPNTBSA-N 354.439 2.374 50 40 FEGB Cc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)NN)c3c2)cc1 1105829 QSHJHYKQTDBWHO-UHFFFAOYSA-N 359.407 2.454 50 40 FEGB COc1ccc(CNC(=O)C(=O)N/N=C(/C)CCc2ccccc2)cc1 59515685 NUFNAABUBVZECY-JCMHNJIXSA-N 353.422 2.436 50 40 FEGB NC(=O)COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1 59920809 XKHACIRDZBTGDH-LSFURLLWSA-N 365.311 2.333 50 40 FEGB O=C(N/N=C1/CCCc2nc(-c3ccccc3)sc21)C(=O)NC1CC1 84564823 JRVSKCOMPGXLRK-STZFKDTASA-N 354.435 2.245 50 40 FEGB CC(C)(C)c1ccc(C(=O)NNC(=O)c2cccc(-n3cnnn3)c2)cc1 651124 DLPAQVJESLPARZ-UHFFFAOYSA-N 364.409 2.035 50 40 FEGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(C)ccc2[nH]c1=O 876475 AYPOPHDQNGHDDP-QGZVFWFLSA-N 365.389 2.481 50 40 FEGB CC(C)c1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3)C2=O)cc1 100118434 KLCSNAQXLYHZBS-QGZVFWFLSA-N 351.406 2.377 50 40 FEGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)N(C)C)cc1OC 59334417 AUUJSTJJFDJREU-GHXNOFRVSA-N 363.211 2.465 50 40 FEGB CC1(C)OC(=O)C(=C2[C@@H]3[C@@H]4[C@H]5C[C@H]3[C@H]3[C@H]2[C@H]([C@H]4Br)[C@@H]53)C(=O)O1 101052470 RJGIOBOOMIYNRD-NIYDKOMJSA-N 365.223 2.270 50 40 FEGB COC(=O)COc1ccc(/C=N/NC(=O)Nc2ccc(OC)cc2)cc1 4507647 FIEFKAGFAROQHH-YBFXNURJSA-N 357.366 2.403 50 40 FEGB Cc1occc1C(=O)NNS(=O)(=O)c1ccc(Br)s1 7518660 QBQBSSDWJFNKCU-UHFFFAOYSA-N 365.230 2.035 50 40 FEGB C[C@@H]1N[C@@H]([N+](=O)[O-])[C@H](Br)N1CC(=O)c1ccc(Cl)cc1 90469407 QKYIEVDEIZBHLQ-HFKOZYHYSA-N 362.611 2.098 50 40 FEGB C/C(=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccc(F)cc1 20207427 CEXFVZJWHAWPJH-CPNJWEJPSA-N 363.414 2.132 50 40 FEGB COc1cccc(CC(=O)N/N=C\c2ccc(N3CCOCC3)c(F)c2)c1 409124020 JSZMVPDIUWIAOJ-HMAPJEAMSA-N 371.412 2.364 50 40 FEGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(Br)o1 33304463 QCFFXZCNSLADHW-CHHVJCJISA-N 368.143 2.479 50 40 FEGB Cc1ccc(S(=O)(=O)/C(C#N)=C2\NC(C#N)=C(C#N)N=C2Cl)cc1 103618719 NFYJDARETVNKND-YPKPFQOOSA-N 357.782 2.003 50 40 FEGB Cc1nc(-c2ccc(OCC(=O)NNC(=O)c3ccc(F)cc3)cc2)no1 14126162 VJYZMIVPESWDND-UHFFFAOYSA-N 370.340 2.024 50 40 FEGB CC(=O)NNC(=O)CSc1nc(C)nc2sc3c(c12)CC[C@@H](C)C3 1326250 MRRJRCCRDNJENR-MRVPVSSYSA-N 364.496 2.384 50 40 FEGB N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)NC(N)=O 409246365 HIDDDMTZNHEEAA-ZROIWOOFSA-N 366.333 2.276 50 40 FEGB Cc1ccccc1C(=O)N1CCC(C(=O)N/N=C/c2ccncc2)CC1 1095062 COXCREHVQRKHDK-HYARGMPZSA-N 350.422 2.393 50 40 FEGB C/C(CC(=O)NC1CCCCC1)=N\NC(=O)C(=O)Nc1cccc(C)c1 5364437 YLXINYAVJMEDEK-HYARGMPZSA-N 358.442 2.265 50 40 FEGB Cc1nc2ccc(Br)cn2c1C(=O)NN=C1CCN(C)CC1 55124457 LRXXATWRGYYQKG-UHFFFAOYSA-N 364.247 2.217 50 40 FEGB CN(C)c1nc(N)nc(/C(C#N)=C/c2cn(CCC#N)c3ccccc23)n1 9339343 CPAVIPZTRHIILN-JLHYYAGUSA-N 358.409 2.452 50 40 FEGB Cc1cc(C)cc(OCC(=O)N/N=C\c2ccccc2OCC(=O)O)c1 12859571 QOBCJPMRYHHMPP-JMIUGGIZSA-N 356.378 2.296 50 40 FEGB Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(N2CCOCC2)s1 6210530 GQAUDPXMQZENTF-XDHOZWIPSA-N 369.450 2.305 50 40 FEGB CCNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@H]3c1ccncc1 15082516 NMWXENKECOLHEX-SNVBAGLBSA-N 366.406 2.030 50 40 FEGB COc1ccccc1CNC(=O)C/C(C)=N/NC(=O)c1ccccc1O 17207197 QKBXVWAEAMOSKX-FYJGNVAPSA-N 355.394 2.213 50 40 FEGB Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccc(C(=O)O)cc1 20086085 FUVAVTXAFJBXRN-INIZCTEOSA-N 373.368 2.455 50 40 FEGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3)CC2=O)cc1Cl 7881787 VVEVCRFMKKJLNO-CQSZACIVSA-N 371.824 2.463 50 40 FEGB COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])c(O)c1 35335137 BNJKSMPMQWVEOT-UHFFFAOYSA-N 365.729 2.037 50 40 FEGB Cc1ccc(O)c(S(=O)(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1 48231818 MHLVNSIKTPLZRJ-UHFFFAOYSA-N 364.467 2.227 50 40 FEGB Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)Cn1nnc2ccccc21 5724328 CNQROYGDOXENJM-MTJSOVHGSA-N 373.420 2.384 50 40 FEGB CC1=C(C#N)[C@@](c2c(C)[nH]n(-c3ccccc3)c2=O)(C(F)(F)F)C(=O)N1 100137345 BEMMJIXHNXESAY-INIZCTEOSA-N 362.311 2.202 50 40 FEGB COc1ccc(/C=C/C(=O)NNC(=O)CCc2ccccc2)cc1OC 4699207 FIZVBDXQJSKXCN-JLHYYAGUSA-N 354.406 2.497 50 40 FEGB CN1C(=O)[C@@]2(c3ccccc31)[C@H]1CCCC=C1C(C#N)=C(N)C2(C#N)C#N 19816695 ZZDLIHXGIYUXEB-BTYIYWSLSA-N 355.401 2.411 50 40 FEGB CCN1C(=O)N2[C@@H](OC)c3ccccc3[C@@H](Br)[C@@]2(OC)C1=O 5807715 IKPLENIVMBEZNR-TYNCELHUSA-N 369.215 2.408 50 40 FEGB O=C(N/N=C/c1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 5344455 DXJZHJLVIOSEPQ-UWPAOYMWSA-N 369.352 2.058 50 40 FEGB CC(C)N1C(=O)/C(=N/NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 100085885 LFWSKCUVXANQCT-SPGGGKMGSA-N 365.389 2.102 50 40 FEGB COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1OC 809410 KDXABMJZYGSQHY-INIZCTEOSA-N 370.361 2.192 50 40 FEGB O=C(COc1ccccc1)NC(=S)NNC(=O)c1ccc(Cl)cc1 6529919 KGIHGATWOPXFOG-UHFFFAOYSA-N 363.826 2.055 50 40 FEGB N#CC1=C(N)NC(C(C#N)C#N)=C(C#N)[C@@H]1c1cccc(Br)c1 103668080 BVJBLSBQHFPMAD-AWEZNQCLSA-N 365.194 2.271 50 40 FEGB CCOc1ccc(C(=O)N/N=C/c2cccc(OCC(=O)OC)c2)cc1 20764598 YBGBDBRPUKFBHT-UDWIEESQSA-N 356.378 2.401 50 40 FEGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1 408776269 XXAOEELJELVCEX-RGVLZGJSSA-N 355.394 2.060 50 40 FEGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2cccc(F)c2)cc1 39940324 GQUYFCJSKFTBAK-XKZIYDEJSA-N 371.412 2.187 50 40 FEGB CCc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1 34688714 LYXCHLSOCXMHJE-UYRXBGFRSA-N 365.499 2.293 50 40 FEGB COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OC(C)=O 1215615 KVLGRIPTFKQWGO-SRZZPIQSSA-N 355.394 2.491 50 40 FEGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)c(OC)c2)cc1 20764634 MNKHFRZORJUZCV-RGVLZGJSSA-N 372.377 2.321 50 40 FEGB Cc1[nH]c2ccc(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2c1C 12991863 BBIGGWAYFBPTQW-SFHVURJKSA-N 365.389 2.386 50 40 FEGB CS(=O)(=O)[C@H](I)[C@H](O)c1ccc(Cl)cc1 96519172 PXAXTLZYDOFACQ-BDAKNGLRSA-N 360.600 2.179 50 40 FEGB O=C(N/N=C/c1ccccn1)C1CCN(C(=O)c2ccc(F)cc2)CC1 1095088 OUELMUDTVVAYRF-LPYMAVHISA-N 354.385 2.223 50 40 FEGB O=C(N/N=C/c1ccc(Br)o1)[C@@H]1COc2ccccc2O1 3155036 JDXIZYHPMLDQPR-QFULYMJESA-N 351.156 2.332 50 40 FEGB Cc1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3Cl)CC2=O)c1 7882456 GMUGJCLXJIJDMV-ZDUSSCGKSA-N 371.824 2.463 50 40 FEGB NNC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 3289274 ZAQRAQVNCROGOL-UHFFFAOYSA-N 353.403 2.152 50 40 FEGB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NNC(=O)c2ccccc2)CC1=O 120086590 SDGHSHMXKRDFJH-YOEHRIQHSA-N 351.406 2.057 50 40 FEGB COc1cccc(/C(C)=N/NC(=O)c2csc(N3CCOCC3)n2)c1 40161339 YXFYVQJGGBJAQN-XDHOZWIPSA-N 360.439 2.142 50 40 FEGB CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](Cc3ccccc3)[C@@H]2C1 804174 OOFGMJGFKOCVRC-MOPGFXCFSA-N 357.417 2.034 50 40 FEGB Cc1cccc(N2C[C@H](C(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)c1 7882437 DKMQSIVAQMEMOD-CQSZACIVSA-N 371.824 2.463 50 40 FEGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cncn2-c2ccccc2)c1C 9338337 VWFOXIHNGYZWBX-UHFFFAOYSA-N 365.393 2.095 50 40 FEGB CCOC(=O)Cn1cc(/C=N/NC(=O)c2cccnc2)c2ccccc21 409033303 KXCKXUFGOZTVHY-SRZZPIQSSA-N 350.378 2.363 50 40 FEGB Cc1cccc(N2CCN(C(=O)NNC(=O)c3ccccc3)CC2)c1C 45127405 ARSIQLOFXFQZQB-UHFFFAOYSA-N 352.438 2.480 50 40 FEGB CN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2cc(Br)ccc21 1513660 SDZLNYXCXXSUBX-JXAWBTAJSA-N 374.194 2.265 50 40 FEGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccccc2)C(C)C)cc1 408759612 HZOZTQFJCPLODZ-ACRNLXFHSA-N 373.478 2.448 50 40 FEGB Cc1cc(/C=N/NC(=O)C(=O)NCC(C)C)c(C)n1-c1ccc(F)cc1 408971295 IFUPWMOWXPPJPB-SSDVNMTOSA-N 358.417 2.456 50 40 FEGB NNC(=O)Cc1csc(Nc2ccc(I)cc2)n1 223450484 LOGGMUFBDIYXGO-UHFFFAOYSA-N 374.207 2.024 50 40 FEGB CCS(=O)(=O)[C@H](I)[C@H](O)c1ccccc1F 96519272 GCYQTOAWXMUJSS-ZJUUUORDSA-N 358.172 2.055 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC 5175991 YGFIKESRZCKKHB-RGVLZGJSSA-N 371.393 2.435 50 40 FEGB COc1cccc2cc(/C(N)=N/NC(=O)c3ccccc3C)c(=N)oc12 10386860 XYBZGPUAOYOXDI-UHFFFAOYSA-N 350.378 2.280 50 40 FEGB CCOC(=O)NNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 44851992 GTWHYEIMKRVMNP-UHFFFAOYSA-N 362.407 2.051 50 40 FEGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC)cc3)[C@@H]2C1 4786313 JPLYJWOJPPJXTE-MOPGFXCFSA-N 359.433 2.440 50 40 FEGB CCS(=O)(=O)[C@H](I)[C@H](O)c1ccccc1C 96519280 SFLGRVYPCIYBRP-MNOVXSKESA-N 354.209 2.224 50 40 FEGB CC(=O)Nc1cccc(C(=O)NNC(=O)CNc2c(C)cc(C)cc2C)c1 7183409 XBQGUAWUFNEPIY-UHFFFAOYSA-N 368.437 2.443 50 40 FEGB Cc1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)c1 7882438 DKMQSIVAQMEMOD-AWEZNQCLSA-N 371.824 2.463 50 40 FEGB O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)C1CC1 26969889 HPDRGODOXPIUNK-MRXNPFEDSA-N 365.433 2.249 50 40 FEGB C#CCOc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC 108923419 KQURHJRJEOOVCH-MOSHPQCFSA-N 367.361 2.308 50 40 FEGB N#Cc1ccccc1OCC(=O)NNC(=O)CCSc1ccc(F)cc1 12680620 LQYPTGSHDAGOOI-UHFFFAOYSA-N 373.409 2.406 50 40 FEGB COc1ccc(C)cc1S(=O)(=O)NNC(=O)c1cn(C)c2ccccc12 7907477 OVFWUHMLEFHDPO-UHFFFAOYSA-N 373.434 2.119 50 40 FEGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 408741732 RSKAWZHATDOHKH-ZVCOJXFSSA-N 365.349 2.349 50 40 FEGB CC(C)c1cc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cs1 102211546 SISFLLOZVHOGGF-NUZBWSBOSA-N 350.440 2.379 50 40 FEGB Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1ccco1)C(C#N)=C(N)O2 4283157 CUHQJIDVLOUJRZ-WBMJQRKESA-N 353.378 2.147 50 40 FEGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=S)NC[C@@H]1CCCO1 6645057 IHXWCWCITAMWMA-URZJAHPPSA-N 351.516 2.267 50 40 FEGB O=C(COC(=O)Cc1ccccc1F)NNC(=O)c1ccc(Cl)cc1 5780916 VVPPCUGCVROARH-UHFFFAOYSA-N 364.760 2.026 50 40 FEGB CCOc1cccc(/C=N\NC(=O)Cc2ccccc2)c1OCC(=O)O 409208390 BIIJBVXDPDDBAH-NDENLUEZSA-N 356.378 2.242 50 40 FEGB CCCCN1C(=O)N=C(O)/C(=C/NNC(=O)c2ccccc2Cl)C1=O 38161256 IXXGRVHTEGDBHN-LUAWRHEFSA-N 364.789 2.177 50 40 FEGB O=C(NNC(=O)C1(c2cccc(F)c2)CCC1)[C@@H]1COc2ccccc2O1 24766189 LGBWHEPHCWTQJD-KRWDZBQOSA-N 370.380 2.235 50 40 FEGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1ccccc1O 100522755 SRFWWJILIVRSCM-CIAFOILYSA-N 369.377 2.298 50 40 FEGB Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2ccc(Cl)cc2)n1 408987739 QYZBEVIMEPQHAQ-VXLYETTFSA-N 354.801 2.452 50 40 FEGB O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 7738038 LNUWKMGVHJAUPY-UHFFFAOYSA-N 351.265 2.271 50 40 FEGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cccc(NC(C)=O)c1 33644415 OIMDKYILDUBMPF-RGVLZGJSSA-N 371.393 2.435 50 40 FEGB C/C(Cc1ccccc1)=N/NC(=O)C(=O)N/N=C(/C)Cc1ccccc1 5380929 WKSODSWATSNUFZ-BMJUYKDLSA-N 350.422 2.456 50 40 FEGB CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](Cc3ccccc3)[C@H]2C1 804175 OOFGMJGFKOCVRC-OALUTQOASA-N 357.417 2.034 50 40 FEGB N#CC1=C(SCC(=O)NC[C@@H]2CCCO2)NC(=O)C[C@@H]1c1ccccc1 6496142 JCZDMVWTTVDGAE-LSDHHAIUSA-N 371.462 2.054 50 40 FEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccccc1 7882252 RBWMFUDITIKAEC-ZDUSSCGKSA-N 357.797 2.154 50 40 FEGB Cc1ccc(OCC(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])c([N+](=O)[O-])c1 36245313 BYLVUGCYOFEEML-CAOOACKPSA-N 374.309 2.046 50 40 FEGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OC 59433963 NXPVFEOUQFZWCM-RGVLZGJSSA-N 371.393 2.110 50 40 FEGB O=C(CCl)Oc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 4064313 GRNMJWAEXBUPRS-UHFFFAOYSA-N 350.783 2.392 50 40 FEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Cl)c1)c1ccccc1 19953942 MCVCRBDGYMWNOA-WOJGMQOQSA-N 365.842 2.256 50 40 FEGB Cc1cccc(NC(=S)NNC(=O)Cn2nc(C)c(Cl)c2C)c1 651197 FJGBDNRTHWECRS-UHFFFAOYSA-N 351.863 2.480 50 40 FEGB Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)CCl)s2)cc1C 4893641 RDBVUEBKBJNQCW-UHFFFAOYSA-N 373.887 2.349 50 40 FEGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(F)(F)F)c32)cc1 4953652 FMNKMBMZBCEJID-SNVBAGLBSA-N 364.283 2.433 50 40 FEGB O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1cccc(Cl)c1 9516555 BBVLQJVSZNTHOA-UHFFFAOYSA-N 356.769 2.306 50 40 FEGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)cc2)cc1OC 409316346 PUQVDJUSSOEJPH-JAIQZWGSSA-N 372.377 2.321 50 40 FEGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)CC2(C)OCCO2)o1 409369206 HXCHBZAPMOVMFX-UDWIEESQSA-N 372.377 2.336 50 40 FEGB COc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(C)=O 1435079 AELMPVUBGXFLGE-RGVLZGJSSA-N 356.378 2.458 50 40 FEGB O=C(NC(=S)NNC(=O)c1ccc(Cl)cc1Cl)c1cccnc1 2103100 ZMMQNEGRPHQCHH-UHFFFAOYSA-N 369.233 2.338 50 40 FEGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21 4166286 DHHDQPGTSYENEI-QFIPXVFZSA-N 373.412 2.271 50 40 FEGB C/C(CC(=O)NC1CCCCC1)=N\NC(=O)C(=O)Nc1ccc(C)cc1 4690690 PUKRBCBFNXFKMY-HYARGMPZSA-N 358.442 2.265 50 40 FEGB CC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(N3CCOCC3)cc2)cc1 33403833 RECBXWYOKJFGPE-STZFKDTASA-N 366.421 2.246 50 40 FEGB CC(C)(Oc1ccc(Br)cc1Br)C(=O)NN 216909823 YMYDYSGZOAXMIS-UHFFFAOYSA-N 352.026 2.359 50 40 FEGB O=C(CC12CC3CC(CC(C3)C1)C2)NNS(=O)(=O)c1cncc(F)c1 63476385 UUZRNRJDRVOJEX-UHFFFAOYSA-N 367.446 2.137 50 40 FEGB NC(=O)N/N=C(/C[C@@H]1OC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 6576167 DAEVJUKONCBJKM-NOMGLIDZSA-N 354.322 2.269 50 40 FEGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 7783599 IBPMRVUOLZBXHN-SSDVNMTOSA-N 367.405 2.305 50 40 FEGB CCc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3)CC2=O)cc1 8290142 OSQZOIONQMWLIS-INIZCTEOSA-N 351.406 2.063 50 40 FEGB O=C(N/N=c1/c(=O)c2cccc3cccc1c32)[C@@H]1COc2ccccc2O1 3353919 HCQAGVBBGHQDGY-XENKUQMPSA-N 358.353 2.001 50 40 FEGB CN(C)C(=O)[C@H]1CC[C@](C)(C(=O)O)[C@]1(C)CI 4981878 QVZLRUVLDDIRGR-GGZOMVNGSA-N 353.200 2.017 50 40 FEGB Cc1ccc(NCC(=O)NNC(=O)c2cncc(Br)c2)cc1 57390309 OTENUMFXHOONPW-UHFFFAOYSA-N 363.215 2.026 50 40 FEGB O=C(NNC(=O)[C@@H](NC(=O)c1cccs1)c1ccccc1)c1ccco1 25241871 FTXOSDFYPBBFDJ-HNNXBMFYSA-N 369.402 2.273 50 40 FEGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1occc1-c1ccccc1 12975951 SXNKSPKIJILYGC-UHFFFAOYSA-N 374.356 2.258 50 40 FEGB Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1ccco1)C(C#N)=C(N)O2 4283159 CUHQJIDVLOUJRZ-BLLLJJGKSA-N 353.378 2.147 50 40 FEGB CCOC(=O)c1c(C)[nH]c(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1C 38712438 BMQRXEZFOWNNLP-QGMBQPNBSA-N 374.353 2.186 50 40 FEGB N#C/C(=C\c1ccc(-c2ccccc2C(=O)O)o1)C(=O)N1CCOCC1 2207621 BDFKJXHBUYCZHA-ACCUITESSA-N 352.346 2.411 50 40 FEGB CCn1c(C)cc2c(c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 2360512 NTAPPLUWQRCKAW-HNNXBMFYSA-N 352.350 2.303 50 40 FEGB Cc1nc2ccccc2nc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(C)c(=O)c21 20086777 KBLZOBHGGRGUMD-INIZCTEOSA-N 359.389 2.164 50 40 FEGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(O)c(Cl)c1 24294680 XAJIOZKZOHMQKS-VIFPVBQESA-N 352.749 2.413 50 40 FEGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc2c1OCO2 8336666 YDENVRQSTVMEJR-CNHKJKLMSA-N 374.422 2.073 50 40 FEGB O=C(COC(=O)c1ccccc1F)NNC(=O)c1ccccc1Cl 7939754 SOHZGPRSNSQRDD-UHFFFAOYSA-N 350.733 2.097 50 40 FEGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1F 100995332 FXZGHWJOJACSQR-CQSZACIVSA-N 361.760 2.046 50 40 FEGB CCCCC(=O)[C@H]1C(=O)[C@H](Cl)C(C)(C)[C@](Cl)(C(=O)OC)C1=O 102969149 SMNDRXKKDMAWDI-CCUNJIBTSA-N 351.226 2.298 50 40 FEGB C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)C(=O)N1CCCCC1 100059505 JJHBNKPFTCFLJH-UDWIEESQSA-N 364.833 2.173 50 40 FEGB O=c1[nH]cnc2c1ncn2-c1ccc(N(CCCl)CCCl)cc1 4821887 RUBWGUJHFSKGBM-UHFFFAOYSA-N 352.225 2.393 50 40 FEGB CCOc1ccc(C(=O)CCC(=O)NNC(=O)c2ccccc2O)cc1 12930946 VHSPZTGEFCPZOL-UHFFFAOYSA-N 356.378 2.215 50 40 FEGB O=C(COc1ccccc1)NNC(=O)COc1cccc2ccccc12 4656601 KYYVDXPDSISELF-UHFFFAOYSA-N 350.374 2.445 50 40 FEGB CC(C)[Si](OC[C@@H](O)[C@@H]1OC(=O)O[C@H](C=O)[C@H]1O)(C(C)C)C(C)C 223445828 CQASCRMAWIQBOB-TUVASFSCSA-N 362.495 2.003 50 40 FEGB COc1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)c(OC)c1OC 6022571 LVQIXUIFYQTWLE-RGVLZGJSSA-N 371.393 2.435 50 40 FEGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OCC(=O)Nc1cccc(C)c1 15018850 IQQVCFDKZIDOIZ-OQLLNIDSSA-N 365.389 2.413 50 40 FEGB CC[C@H](Br)C(=O)NNC(=O)c1ccc(Br)cc1 3160160 HRZYGFFGQLZLEH-VIFPVBQESA-N 364.037 2.384 50 40 FEGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)c1ccccc1O 2289929 OKFYKEJMMMAXEZ-UFFVCSGVSA-N 350.378 2.062 50 40 FEGB COc1ccc(CC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)cc1OC 409359938 CNPIICWRWHESRW-ZDLGFXPLSA-N 359.338 2.010 50 40 FEGB N[C@H](CC1=CN[C@@H]2C=CC=C[C@H]12)C(=O)N/N=C/c1cccc2cccnc12 1740061 WJMXLVOIOVVTSF-UYJHSDDGSA-N 359.433 2.000 50 40 FEGB C/C(=N/NC(=O)CC#N)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 101642674 QZWJELMLSRFEPV-IYLAKIESSA-N 352.394 2.120 50 40 FEGB CC1=C(C)C[C@@H](C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2)[C@@H](C(=O)O)C1 6860511 NJMDASRBGQLYGD-UAGQMJEPSA-N 374.437 2.357 50 40 FEGB O=C(NN/C=C1\C(=O)N(C2CCCCC2)C(=O)N=C1O)c1ccccc1 2308397 RWZKYHLVJUZAPX-KAMYIIQDSA-N 356.382 2.056 50 40 FEGB Cc1cccc(C)c1N1/C(=N\C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@H]21 101310029 BEFIFTMSGVLPDG-CGDQWCRFSA-N 372.899 2.144 50 40 FEGB COC(=O)c1cc(N/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)ccc1Cl 5469739 YTZPQMJBTIFITD-JYRVWZFOSA-N 359.769 2.261 50 40 FEGB CCOC(=O)[C@](O)(c1ccc(N(C)C(=O)CCl)cc1)C(F)(F)F 2311981 SYOJHSKPJGJNKT-CYBMUJFWSA-N 353.724 2.201 50 40 FEGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2)cc1 5873466 QMTLJBCGNSDXTJ-UHFFFAOYSA-N 355.394 2.265 50 40 FEGB N#C/C(=C\c1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 15009417 XQYNJKJGPADQRJ-YRNVUSSQSA-N 366.171 2.123 50 40 FEGB COc1ccc(C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1OC 59461604 PXNIVSPXLORBRO-VCHYOVAHSA-N 359.338 2.385 50 40 FEGB CCCCCn1nc(C(=O)NNC(=O)CC(C)C)c2ccccc2c1=O 12611865 GLSYDKBVWIMWBP-UHFFFAOYSA-N 358.442 2.394 50 40 FEGB CC(C)(C)NC(=O)CCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1 4700135 QOHCSFBMRVUOTI-UHFFFAOYSA-N 359.348 2.161 50 40 FEGB CCCCCCC(=O)NNC(=O)c1c(O)n(CC)c2ccccc2c1=O 5826010 HYZCMEUPNZYMKU-UHFFFAOYSA-N 359.426 2.458 50 40 FEGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccoc3)[C@@H]2C1 808884 GENDJRCKLXMDKL-HZPDHXFCSA-N 363.377 2.161 50 40 FEGB O=C(NN1C(=O)[C@H](Cl)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1O 1633509 MYLSRKKIVQKDRD-ZIAGYGMSSA-N 361.741 2.136 50 40 FEGB CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](CCc3ccccc3)[C@H]2C1 4103250 AUYWZVBGWIZYPZ-PMACEKPBSA-N 371.444 2.424 50 40 FEGB CN(CC(=O)N/N=C/c1ccccc1Cl)S(=O)(=O)c1ccccc1 6544672 WHNPLTSSKXHWML-WOJGMQOQSA-N 365.842 2.111 50 40 FEGB CC[C@@H](C)OC(=O)C1=C(C)O[C@@]23OC(N)=C(C#N)[C@]12C(=O)c1ccccc13 100591416 SCNMZPGXASVBBR-NIXNKXAPSA-N 366.373 2.392 50 40 FEGB N#Cc1ccc(/C=N/NC(=O)CCN2CCN(c3ccccc3)CC2)cc1 3334059 WKZAMQMCZGBHAQ-HAVVHWLPSA-N 361.449 2.221 50 40 FEGB O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)CCc1ccccc1 4575540 KKVAIZYWKXWWLI-ACCUITESSA-N 353.447 2.355 50 40 FEGB C/C(CC(=O)N[C@@H](C)c1ccccc1)=N\NC(=O)c1ccc(O)cc1O 4690458 GCKABQUQOFBTMK-XMOVILSBSA-N 355.394 2.471 50 40 FEGB NC1=N/C(=N\NC(=O)COc2ccc(Br)cc2)c2ccccc21 5528384 PADYATUJXSTGGF-UHFFFAOYSA-N 373.210 2.025 50 40 FEGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccccc1OC 5880579 KYDYQIMSUPJGKP-KGENOOAVSA-N 369.421 2.304 50 40 FEGB Cc1cc(Br)cc2c1N(C)C(=O)/C2=N\NC(=O)c1cccnc1 5577938 HSHLZKNWZNDZPH-UYRXBGFRSA-N 373.210 2.263 50 40 FEGB CCN(CC)CCCNC(=S)NNC(=O)C12CC3CC(CC(C3)C1)C2 4673441 QGVYOBHXLJRBLU-UHFFFAOYSA-N 366.575 2.430 50 40 FEGB COc1ccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)c(Cl)c1 40177467 YUKMNJZKKKJOOG-VIFPVBQESA-N 352.239 2.108 50 40 FEGB CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@H]1O 195759845 HGLRBQHXIBHZTD-GRYCIOLGSA-N 365.510 2.079 50 40 FEGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NCCCl 6022865 BJAHXLAZQJMIAG-AWEZNQCLSA-N 356.850 2.452 50 40 FEGB CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cc(C)c(CC)s2)C1 28419372 HNZFMMKXPRLOIM-LBPRGKRZSA-N 367.471 2.248 50 40 FEGB CCCn1nc(C(=O)NNC(=O)Nc2ccccc2)c2ccccc2c1=O 6550061 XVRYMYCAIVRLBB-UHFFFAOYSA-N 365.393 2.273 50 40 FEGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3C)CC2=O)cc1C 408614936 JZRJCBZNYWIUSF-MRXNPFEDSA-N 365.433 2.426 50 40 FEGB O=C(NN=Cc1ccc2c(c1)CCC2)C(=O)NN=Cc1ccc2c(c1)CCC2 4582364 OSTIMSSZKRFOAT-UHFFFAOYSA-N 374.444 2.264 50 40 FEGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1 7881815 QIBBBXMWWHHHGH-CQSZACIVSA-N 371.824 2.463 50 40 FEGB CC(C)n1nnnc1SCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 12549850 PRTLODRLLRADIA-UHFFFAOYSA-N 369.454 2.237 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2OC)c(OC)c1 59433965 FJVIQEIJWUCVDL-RGVLZGJSSA-N 371.393 2.110 50 40 FEGB COC(=O)c1cccc(NC(=O)NNC(=O)COc2ccc(C)cc2)c1 12771290 NFFIZIAAOGDXDY-UHFFFAOYSA-N 357.366 2.013 50 40 FEGB COc1cc(C(=O)NNc2ncnc3ccccc23)cc(OC)c1OC 3423886 FMKMMCIPQPIBNX-UHFFFAOYSA-N 354.366 2.413 50 40 FEGB COC(=O)c1ccc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1 13847743 ZFWJRGXPNKJNSI-VXLYETTFSA-N 371.349 2.219 50 40 FEGB O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc(F)cc4)[C@@H]13)[C@H]2Br 408679106 CEVJTXPESYSOKK-HKLHZYFVSA-N 354.175 2.335 50 40 FEGB CNC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)o2)c(OC)c1 33634365 ZBNKESPFVFLPHU-GHXNOFRVSA-N 356.334 2.218 50 40 FEGB CCN(CC)c1nc(NNC(=O)c2ccccc2)nc(N(CC)CC)n1 5573355 ZDKDXJFGQOYKRT-UHFFFAOYSA-N 357.462 2.321 50 40 FEGB CC(C)n1nc(C(=O)NNC(=O)c2ccc(F)cc2)c2ccccc2c1=O 5558062 FGSKDLDKYCRKLC-UHFFFAOYSA-N 368.368 2.191 50 40 FEGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1cccs1)S(C)(=O)=O 20213807 OWEXIUWITVSCJJ-LICLKQGHSA-N 365.480 2.281 50 40 FEGB CCOC(=O)NNC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 13019239 AUZABSWCYQPPCO-UHFFFAOYSA-N 355.398 2.209 50 40 FEGB CCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)N2CCCC2)c(OC)c1 24100126 ICHJCDOAHPJXML-XNTDXEJSSA-N 358.394 2.166 50 40 FEGB N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@H]1c1ccc2c(c1)OCO2 759054 LSWJJRYNLXNMCZ-HNNXBMFYSA-N 359.345 2.419 50 40 FEGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2cccnc2)c([N+](=O)[O-])c1 100510096 OYWMHAGDSBWMBW-RGVLZGJSSA-N 371.353 2.133 50 40 FEGB Cn1nnnc1SCC(=O)/C(C#N)=C1/Nc2cc(Cl)ccc2S1 104583059 VTZRTNNHGFDYIT-WQLSENKSSA-N 364.843 2.478 50 40 FEGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)ccc1O 59472234 MQKZHBRXHVCESP-UDWIEESQSA-N 355.394 2.442 50 40 FEGB COc1cc(/C=N/NC(=O)c2ccco2)cc(Cl)c1OCC(=O)O 409368843 PIBFEUYMEILELR-REZTVBANSA-N 352.730 2.169 50 40 FEGB CCN(CC)S(=O)(=O)C[C@]1(C)[C@H]2CC[C@@]1(C)C(=O)[C@H]2Br 261361207 GABZYPCVFFKYPB-AUZPSNTRSA-N 366.321 2.427 50 40 FEGB COc1ccc(NC(=O)CCC(=O)N/N=C/c2cccc(OC)c2O)cc1 2409285 RISRDHMFDVVOMP-UDWIEESQSA-N 371.393 2.278 50 40 FEGB COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)c1 4502773 VFKLPUGMUVCILF-RGVLZGJSSA-N 372.377 2.020 50 40 FEGB CC(C)c1ccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1 6507734 PLRKOLKGSAFJTN-UHFFFAOYSA-N 350.378 2.121 50 40 FEGB O=C(N/N=C/c1ccc(O)c(O)c1)C(O)(c1ccccc1)c1ccccc1 3039400 YWDVPMASSRABBF-HYARGMPZSA-N 362.385 2.484 50 40 FEGB COc1cc(SC)ccc1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 3370696 UPACXODVWOQRJW-MRXNPFEDSA-N 374.418 2.018 50 40 FEGB CCOC(=O)C1CCN(CC(=O)C(C#N)=C2Nc3ccccc3N2)CC1 57460841 CWACROSSVQASRL-UHFFFAOYSA-N 354.410 2.103 50 40 FEGB O=C(/C=C/c1cc2ccccc2o1)NNC(=O)[C@H]1COc2ccccc2O1 9954525 DBVQUTVGLBXCNQ-QZEKMECESA-N 364.357 2.433 50 40 FEGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)CNc1ccc(F)cc1 409344922 JZRKAHUVWULZIO-WSDLNYQXSA-N 355.369 2.409 50 40 FEGB CC(C)N1C[C@H](C(=O)NNC(=O)c2cc3c(s2)CCCCC3)CC1=O 46318677 RQGONRYBOTWUQE-CYBMUJFWSA-N 363.483 2.035 50 40 FEGB COc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2nonc2N)o1 5918394 MKIJLKSMBJOZAI-CNHKJKLMSA-N 361.745 2.338 50 40 FEGB CC(=O)Nc1nc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cs1 32668977 XMSNQGVTAQNEJW-UHFFFAOYSA-N 362.455 2.079 50 40 FEGB Cc1ccc(OCC(=O)NNC(=S)NC(=O)C2CCCCC2)c(C)c1 2136076 BIVFGUMOYNETIA-UHFFFAOYSA-N 363.483 2.284 50 40 FEGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)COc2ccccc2)cc1 100522659 PNQDFNYWKWTZNZ-PXLXIMEGSA-N 369.421 2.273 50 40 FEGB CCc1sc(C(=O)NNC(=O)[C@@H]2CCCN(c3cnccn3)C2)cc1C 29760037 KHSHOHUACOOLLY-CYBMUJFWSA-N 373.482 2.087 50 40 FEGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(F)cc3)CC2=O)cc1C 408614361 BGQRGDGBNTYROK-OAHLLOKOSA-N 369.396 2.257 50 40 FEGB COc1ccccc1OCC(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1 40902933 QMLJDGPMIFAVDC-VCHYOVAHSA-N 359.338 2.141 50 40 FEGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCC#N)cc2)n1 17414496 KOBZZOSEQZJZMT-VXLYETTFSA-N 355.423 2.238 50 40 FEGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2ccc(C)cc2[nH]c1=O 876446 NXFBVUNOKLFVGZ-INIZCTEOSA-N 351.362 2.091 50 40 FEGB COc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1 6458253 CBVNKLSRMBHVCN-UHFFFAOYSA-N 363.826 2.298 50 40 FEGB O=C(N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21)c1ccccn1 20292307 UBHBCIBBDPMRHO-PYCFMQQDSA-N 363.421 2.006 50 40 FEGB C[C@H](C(=O)N/N=C\c1ccc(N(C)C)cc1)n1cnc2ccccc2c1=O 31854607 RDINNYAYJURHET-JCRYTKJOSA-N 363.421 2.174 50 40 FEGB O=C(c1ccc(B(O)O)cc1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 584976792 SUPZRLSCHYRGSR-AWEZNQCLSA-N 363.144 2.015 50 40 FEGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)Cc1ccc(OC)cc1 8117052 YHPCGWXOWOLUES-KGENOOAVSA-N 352.390 2.409 50 40 FEGB O=C(NNC(=O)c1n[nH]c2ccccc12)c1ccccc1Br 5263152 WGXYYXOLZBJZJA-UHFFFAOYSA-N 359.183 2.400 50 40 FEGB CCn1c(C)cc2c(c1=O)[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 2359831 JLORLWRYTLQRJF-HNNXBMFYSA-N 352.350 2.303 50 40 FEGB O=C(/C=C/c1ccccc1OC(F)(F)F)NNC(=O)c1ccccn1 40074767 RPWMACWEKPRUMJ-CMDGGOBGSA-N 351.284 2.455 50 40 FEGB COc1cc(OC)cc(C(=O)NNC(=S)Nc2ccccc2OC)c1 8685058 HWQVTJLFWUPYMS-UHFFFAOYSA-N 361.423 2.344 50 40 FEGB CC(C)C(=O)NNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 408998643 BQDMSNANIUILJU-UHFFFAOYSA-N 370.365 2.264 50 40 FEGB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NNC(=O)c1ccccc1 40068951 BEAZHTQRWMUMOU-UHFFFAOYSA-N 368.437 2.010 50 40 FEGB O=C(COC(=O)/C=C/c1ccccc1)NNC(=O)c1ccc(Cl)cc1 6013113 WGVCPRVEKHEDAY-IZZDOVSWSA-N 358.781 2.358 50 40 FEGB C/C(=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(-n2cnnn2)c1 5684531 ZIWVFLFTOMAGAR-XDHOZWIPSA-N 365.353 2.033 50 40 FEGB Cn1nc(C(=O)NNc2cc(C(=O)O)ccc2Cl)c2ccccc2c1=O 32731728 NEFHQIYJCKBHDZ-UHFFFAOYSA-N 372.768 2.042 50 40 FEGB O=C(O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)c1 103090362 ASVKLUWKYSBFHR-PTEOKISQSA-N 354.189 2.355 50 40 FEGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 28214523 KQJQDKOGZDXIHV-FVUPAENESA-N 371.462 2.323 50 40 FEGB NC(=O)COc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1 10850502 YHJHHALTBSWWJW-YDZHTSKRSA-N 361.401 2.397 50 40 FEGB CCOc1ccccc1OCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1O 6223741 ZGYCVMQWEXYHLY-VCHYOVAHSA-N 359.338 2.228 50 40 FEGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)c1O 4719777 SFLLCKBFTYBBJM-DJKKODMXSA-N 373.365 2.455 50 40 FEGB COc1cc(Br)c(O)c(/C=N/NC(=O)c2ccncc2)c1 408591182 RUMBDCPFHJDFDK-CAOOACKPSA-N 350.172 2.322 50 40 FEGB CCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccccc3O)CC2=O)cc1 409155216 QJPDDIZZNUKYCV-YQODDJSKSA-N 351.406 2.458 50 40 FEGB NC(=O)N/N=C(\C[C@@H]1OC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 5824043 DAEVJUKONCBJKM-FHHIAAGZSA-N 354.322 2.269 50 40 FEGB COc1cc(/C=N\NC(=O)Cc2cccs2)cc(OC)c1OC(C)=O 30713802 GCQUVXRNBJRTCB-ZDLGFXPLSA-N 362.407 2.383 50 40 FEGB O=C1C[C@@H](N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)C(=O)O1 100746745 ZNHSFIHLWPKKGE-JRZFIGEHSA-N 353.808 2.383 50 40 FEGB CC1(C)C(=O)[C@@]2(Br)CC[C@@]1(CC(N)=O)[C@H]2Br 109275406 JGRNXLIZHLAUNY-AVPPRXQKSA-N 353.054 2.148 50 40 FEGB NC(=O)CCn1cc(/C=N/NC(=O)COc2ccccc2)c2ccccc21 408532085 POJSNWUZPXOWFD-WSDLNYQXSA-N 364.405 2.046 50 40 FEGB O=C(NCCc1ccccc1)C(=O)N/N=C\c1ccccc1Br 223162991 FEABKQJSQPMVHQ-NDENLUEZSA-N 374.238 2.258 50 40 FEGB COc1cc(C(=O)N/N=C/c2c(C)nn(C)c2F)ccc1OC(F)F 252496968 PWSNDKINZLSVGD-FBCYGCLPSA-N 356.304 2.242 50 40 FEGB CCOC(=O)C1(C(=O)OCC)C[C@@H](Br)[C@H](Br)C1 1709933 DQDVFOYPTKTXHY-HTQZYQBOSA-N 372.053 2.420 50 40 FEGB COCCNC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1Br 6914511 ISKQLXXRKVYCCV-IZZDOVSWSA-N 369.215 2.136 50 40 FEGB CCOC(=O)/C=C/C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 1893947 PTWLZMLUVCBSCR-BUHFOSPRSA-N 352.390 2.085 50 40 FEGB Cc1ccc(S(=O)(=O)NNC(=O)COc2ccccc2Cl)cc1 6030751 LTLTVMGZTXBWIJ-UHFFFAOYSA-N 354.815 2.037 50 40 FEGB C#CCOc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCC)cc1OC 4501849 HDJSOLYJNPWJEJ-SFHVURJKSA-N 368.389 2.352 50 40 FEGB CCN(CC)c1ccc(C(=O)NNC(=O)CSc2ccncc2)cc1 8645135 AGDHMRHKPPELCT-UHFFFAOYSA-N 358.467 2.481 50 40 FEGB C/C(CC(=O)Nc1cccc(C#N)c1)=N\NC(=O)C(=O)Nc1ccccc1 16136793 YEBRFWGFKJSRGG-YDZHTSKRSA-N 363.377 2.018 50 40 FEGB C[C@]1(C(=O)NNC(=O)CN2CCCc3ccccc32)CC1(Cl)Cl 45574438 FCKZTNGDHVSGIU-OAHLLOKOSA-N 356.253 2.171 50 40 FEGB Cc1cc(N)nc(SCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)n1 9313465 IWLOXKAVIIQWRH-UHFFFAOYSA-N 373.482 2.218 50 40 FEGB O=C(N/N=C/c1ccc(I)cc1)c1cccnc1 408720071 XEUGZNAPRLERFS-LZYBPNLTSA-N 351.147 2.450 50 40 FEGB COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)COc2cc(C)ccc2C)c1O 4675903 IXJDCIAKVQZSSA-OCKHKDLRSA-N 373.365 2.455 50 40 FEGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1ccccc1OCC(C)C 408600896 GTJULCZZXHVZCP-UFWORHAWSA-N 359.386 2.285 50 40 FEGB CC(C)(C)NC(=O)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408775546 ICPJDSUHWGHQSZ-ZDLGFXPLSA-N 358.354 2.220 50 40 FEGB CC[C@@H](C)Oc1ccccc1/C=N/NC(=O)Cn1c([N+](=O)[O-])cnc1C 408602446 NYTOXLHWGFCFDU-DKSCHZSNSA-N 359.386 2.427 50 40 FEGB O=C(N/N=C/c1ccc(I)o1)[C@@H](O)c1ccccc1 1254503 BGXMWQLGJFRONI-AAWHYMEISA-N 370.146 2.068 50 40 FEGB CC1=NN(C(=O)c2ccccc2)[C@@](C)(NNC(=O)c2ccccc2O)C1 5296626 KRZUHJMCTAAMCD-LJQANCHMSA-N 352.394 2.265 50 40 FEGB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)c1ccc(F)cc1 8735455 OIEQBYAGRQJFLW-INIZCTEOSA-N 363.433 2.308 50 40 FEGB CCc1sc(C(=O)NNC(=O)[C@H]2CCCN(c3cnccn3)C2)cc1C 29760038 KHSHOHUACOOLLY-ZDUSSCGKSA-N 373.482 2.087 50 40 FEGB O=C(CN1CCOCC1)N/N=C\c1ccccc1OCc1ccccc1F 33293699 BILODDFQBSNCDS-XKZIYDEJSA-N 371.412 2.187 50 40 FEGB CCN(NC(=O)Cn1nnc(COc2ccccc2)n1)c1ccc(C)cc1 52551393 HAEQXWGBZATUCD-UHFFFAOYSA-N 366.425 2.118 50 40 FEGB O=C(Cc1csc(N2CCOCC2)n1)N/N=C1/CCCc2ccccc21 96837054 SKYAYEYJRJDXGV-FXBPSFAMSA-N 370.478 2.379 50 40 FEGB CCc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccc(F)c3)CC2=O)cc1 408616646 ZRMHECCJHKPPCU-HNNXBMFYSA-N 369.396 2.202 50 40 FEGB COc1cccc(/C=N/NC(=O)c2ccccc2F)c1O[C@@H](C)C(=O)O 409242962 XAQRUBJKLUEEKC-KKBVUKDESA-N 360.341 2.450 50 40 FEGB O=C1[C@H](Br)C[C@@H]2[C@H]1[C@H]1CC[C@]2(Br)C12OCCO2 4114153 JBOPXKCTVFPBRR-UEWQFTGXSA-N 366.049 2.256 50 40 FEGB CCCCN(C(=O)CCCCl)c1c(N)n(CCCC)c(=O)[nH]c1=O 3278114 YETLVELVRJJQOC-UHFFFAOYSA-N 358.870 2.071 50 40 FEGB C/C(=N\NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1cccs1 20207715 RQIABQDIAFTPBY-GHRIWEEISA-N 365.480 2.363 50 40 FEGB C[C@@H]1CCc2sc(C(=O)NNC(=O)CCN3CCSC3=O)cc2C1 40007657 BWGMMLQUEPHMFJ-SNVBAGLBSA-N 367.496 2.193 50 40 FEGB COc1ccc(-c2cc(C(=O)N/N=C/c3c(C)nn(C)c3F)no2)cc1 252483085 DUOAQDFOTVNOLI-DJKKODMXSA-N 357.345 2.295 50 40 FEGB CCS(=O)(=O)[C@@H](I)[C@@H](O)c1cccc(F)c1 96519279 PDZQUIXIBFHRBB-VHSXEESVSA-N 358.172 2.055 50 40 FEGB CCOc1ccc(CC(=O)N/N=C/c2c(C)nn(C)c2F)cc1OCC 252478252 AGWWZWRAKDDFIH-RGVLZGJSSA-N 362.405 2.358 50 40 FEGB O=C(N/N=C/c1c(F)cccc1Cl)C(=O)Nc1ccc2c(c1)OCO2 409000107 XATBYONUQHLBQZ-FBCYGCLPSA-N 363.732 2.297 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c(OC)c1 32138863 BNIALNIIDQJMHA-VXLYETTFSA-N 361.785 2.446 50 40 FEGB NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1 225500833 GRYHQOFKDRUDCJ-UHFFFAOYSA-N 360.222 2.398 50 40 FEGB Cc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(C)(=O)=O)cc1 19954591 YJIBURJRCUSVLZ-XDHOZWIPSA-N 359.451 2.220 50 40 FEGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 707170 HCJMHTAAGAGWCC-XYOKQWHBSA-N 370.321 2.018 50 40 FEGB Cc1noc(C)c1COc1cccc(C(=O)NNC(=O)c2ccccn2)c1 8198053 NOJTVWDFHPKIGS-UHFFFAOYSA-N 366.377 2.340 50 40 FEGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(N2CCOCC2)cc1 5164109 PWJCUORYPZVBLL-KGENOOAVSA-N 367.405 2.406 50 40 FEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2C)cc1OC 9553453 KLQXMVRQFBIALJ-RGVLZGJSSA-N 355.394 2.409 50 40 FEGB COc1ccc(OCC(=O)N/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1 5093082 WSZSHEDEPBPWNK-UHFFFAOYSA-N 359.769 2.200 50 40 FEGB O=C(Cc1cn2ccsc2n1)N/N=c1/c(=O)c2cccc3cccc1c32 7004782 JUHATOYVJUTXNT-OQKWZONESA-N 360.398 2.113 50 40 FEGB O=C(CCC(=O)c1cccs1)NNC(=O)c1cncn1-c1ccccc1 7137024 JEHBJRDLJVOKDF-UHFFFAOYSA-N 368.418 2.358 50 40 FEGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(C)(=O)=O)cc1 19954478 ZAXYNQUNKQLKKW-YBFXNURJSA-N 363.414 2.050 50 40 FEGB COc1cc(/C=N/NC(=O)c2c(C)nc3ccccn23)cc([N+](=O)[O-])c1O 36329918 SCFNBTLYMVUORP-GIJQJNRQSA-N 369.337 2.029 50 40 FEGB Cc1cc(/C=N\Nc2nncn2N)ccc1N(CCCl)CCCl 104076938 SMJZPSPMYMYLDV-NVMNQCDNSA-N 356.261 2.030 50 40 FEGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccccc2)C(C)C)cc1 408759613 HZOZTQFJCPLODZ-JZQBQCRLSA-N 373.478 2.448 50 40 FEGB C/C(Cc1ccccc1)=N/NC(=O)CSc1nnnn1-c1ccccc1 408977262 WIRJFSKNPMMLCX-RGEXLXHISA-N 366.450 2.489 50 40 FEGB COc1ccc(/C(C)=N/NC(=O)Cn2ccc(C(F)(F)F)n2)c(O)c1 4863674 HMGIQWLIFFJVMC-DJKKODMXSA-N 356.304 2.157 50 40 FEGB Cn1cc(C(=O)NNS(=O)(=O)c2ccc(F)c(F)c2)c2ccccc21 7907491 XPIJWZOISBVHMU-UHFFFAOYSA-N 365.361 2.080 50 40 FEGB CN(C)c1nc(N)nc(/C(C#N)=C/c2ccccc2OC(F)(F)F)n1 8708871 RODULHFVFROBPB-JXMROGBWSA-N 350.304 2.483 50 40 FEGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3C)CC2=O)cc1 41299934 ZEFQXPSRQWTHFI-HNNXBMFYSA-N 351.406 2.118 50 40 FEGB N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 5450526 KIUQELBBJQZRFD-HNNXBMFYSA-N 350.357 2.249 50 40 FEGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 408769288 QMMCTYFKSACYCW-YBFXNURJSA-N 363.414 2.050 50 40 FEGB CO[C@H](C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N(C)C)c1ccccc1 409002448 UVTWJSRUPWGVOS-DAQNXSASSA-N 356.382 2.499 50 40 FEGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])N/N=C/c1ccccc1[N+](=O)[O-] 1679910 XALPGYJENPARFS-CZCYGEDCSA-N 356.298 2.170 50 40 FEGB COc1cc(C(=O)NNC(=O)c2ccco2)ccc1OCc1cscn1 32779761 RQLATNPSDONDBP-UHFFFAOYSA-N 373.390 2.399 50 40 FEGB CN1C(=O)C(=Cc2ccc3c(c2)CCN3CCCCl)C(=O)N(C)C1=O 2359286 SRWCFIDKAOUFLY-UHFFFAOYSA-N 361.829 2.112 50 40 FEGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(S(=O)(=O)O)o1 13942957 AQBFFOMWTBQHIO-VXLYETTFSA-N 373.390 2.242 50 40 FEGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)NC(C)C)cc1OCC 4615204 XDBZYGIFFONWIP-OQLLNIDSSA-N 360.410 2.459 50 40 FEGB CCCCC(=O)NN/C=C1/C(=O)N(c2ccc(CC)cc2)C(=O)N=C1O 9087969 RKWJSGLBUIVFPC-SDNWHVSQSA-N 358.398 2.367 50 40 FEGB Cc1csc(CC(=O)NNC(=O)CSc2ccc3ccccc3n2)n1 9157543 GJRMHKRNGAPKSF-UHFFFAOYSA-N 372.475 2.482 50 40 FEGB COCc1cc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)no1 72302670 INBBJYKKLXWMOA-UHFFFAOYSA-N 355.803 2.028 50 40 FEGB O=C(O)c1cccc(N[C@H]2SC(=O)N(CCBr)C2=O)c1 12113066 MRAKLTCZJMCTEI-VIFPVBQESA-N 359.201 2.213 50 40 FEGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OS(=O)(=O)c1ccc(C)cc1 3570183 NUZCZZRTNXONGS-NTEUORMPSA-N 372.402 2.164 50 40 FEGB O=C(N/N=C/c1ccc(S(=O)(=O)O)o1)c1ccc(Br)cc1 22612102 AMLZNBVCQXCGAI-VGOFMYFVSA-N 373.184 2.053 50 40 FEGB CC1(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)OCCO1 59436970 DVHDQGJCXVMNHV-WOJGMQOQSA-N 359.338 2.458 50 40 FEGB C[C@@H](C(=O)N/N=C/c1ccc(F)cc1)N(c1ccccc1)S(C)(=O)=O 408906471 BTLCKHKMAAQIJC-HCZVKUGISA-N 363.414 2.131 50 40 FEGB C[C@@H](Sc1nncs1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 42765570 ITXYXLKKWXWBGC-LDWCXNJISA-N 366.512 2.383 50 40 FEGB O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)c1cccs1 33026407 MYJKTDNKJNWWTI-ZDUSSCGKSA-N 360.395 2.404 50 40 FEGB c1ccc(-n2nnc(SSc3nnn(-c4ccccc4)n3)n2)cc1 2305202 WQSIKJZAFGDXDL-UHFFFAOYSA-N 354.424 2.437 50 40 FEGB COc1ncccc1CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 45966181 XXHBKRKETWFYSF-UHFFFAOYSA-N 358.442 2.137 50 40 FEGB C=CCOc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1OC 4320947 QWDZCCXNBOEDRI-RGVLZGJSSA-N 358.423 2.292 50 40 FEGB Cc1ccccc1OCC(=O)NCC(=O)N/N=C/c1c[nH]c2ccccc12 4679341 LFSCRSHKALVRQB-FOKLQQMPSA-N 364.405 2.122 50 40 FEGB COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c(OC)c1 4775396 NPXSQXASHOENGO-VXLYETTFSA-N 373.365 2.450 50 40 FEGB Cc1cccc(OCC(=O)N/N=C2/SCC(=O)N2Cc2ccco2)c1 33323929 DFSNROXBBOCUHT-HTXNQAPBSA-N 359.407 2.130 50 40 FEGB O=C(N/N=C/c1ccn(CC(F)(F)F)n1)c1cc(-c2ccco2)on1 252494361 NTMIVVSRHBVMIA-CNHKJKLMSA-N 353.260 2.457 50 40 FEGB COc1cc(/C=N/NC(=O)CC#N)ccc1Oc1ccc([N+](=O)[O-])cn1 1205070 WWUWVMPGCAJBBL-DJKKODMXSA-N 355.310 2.154 50 40 FEGB O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1ccc(-n2cccc2)cc1 53625780 XGIHMHSHXRGGTF-UHFFFAOYSA-N 363.373 2.323 50 40 FEGB C=CCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 58911474 SBSZEEICHJNELV-SRZZPIQSSA-N 358.829 2.500 50 40 FEGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cccc(C)c2[nH]c1=O 876443 AUIBFPFFSPAOJR-MRXNPFEDSA-N 365.389 2.481 50 40 FEGB COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccccn2)c(OC)c1 4562071 JFBMAWQCDGKYLD-CIAFOILYSA-N 356.382 2.233 50 40 FEGB CCn1nc(C(=O)N/N=C/c2cccc(OC)c2)c2ccccc2c1=O 6507301 OPTASGRSPNHZHS-UDWIEESQSA-N 350.378 2.189 50 40 FEGB COc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2OC)cc1 409247294 MCYBKGUDUFEKRP-KGENOOAVSA-N 369.421 2.304 50 40 FEGB Cc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1 408783727 PTRXUUNXSOYAEU-YBFXNURJSA-N 363.414 2.050 50 40 FEGB O=C(COc1cccc(F)c1)NNC(=O)c1cccc(-n2cccc2)c1 32743361 CUNDUUXXJZAKEQ-UHFFFAOYSA-N 353.353 2.456 50 40 FEGB O=C(CCl)N(c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 40177637 LZJIMVICRANCRB-NSHDSACASA-N 366.664 2.208 50 40 FEGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)OC)NC(=O)[C@H]1C#N 1245103 XVCBYHOUYXCIKS-BLLLJJGKSA-N 371.418 2.080 50 40 FEGB O=S(=O)(NC[C@@H](Br)CBr)c1ccccc1 1711115 CVWDPKUSMCJHMB-QMMMGPOBSA-N 357.067 2.123 50 40 FEGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=S)NC(=O)c1ccco1 2096257 LCFWDEDFGYEOSX-SECBINFHSA-N 367.814 2.036 50 40 FEGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(Br)o1 5394926 JUHIPZLZLCWSBH-UBKPWBPPSA-N 366.171 2.333 50 40 FEGB CC(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1 6327965 PUOZNWOZRYWBNQ-RGVLZGJSSA-N 356.378 2.487 50 40 FEGB CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\Nc1ccc(O)cc1C 9344510 LWJLAUXOSSGRJP-HAKPAVFJSA-N 367.405 2.384 50 40 FEGB CC(=O)NNc1nc(-c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)cs1 9751165 RGPRWDWOBQXCNV-GFCCVEGCSA-N 368.484 2.051 50 40 FEGB C=CCOc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)c1 59501687 ODJXUJKTKLWYDF-HYARGMPZSA-N 367.405 2.027 50 40 FEGB