smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)COc1ccc(Cl)cc1Cl 25581658 IBNOLHIRIYNPOY-CAOOACKPSA-N 387.183 2.064 50 50 GEGA CNS(=O)(=O)c1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799749708 ZCKNRXQMJQVUSW-UHFFFAOYSA-N 398.366 2.242 50 50 GEGA C/C(=N\NC(=O)c1cc(O)cc(O)c1)c1cccc(NC(=O)CCC(=O)O)c1 13321939 ACMFVJWKPLUSNZ-SRZZPIQSSA-N 385.376 2.055 50 50 GEGA O=C(CCc1ccc(O)c(O)c1)NNC(=S)NCc1ccc(Cl)cc1 2853580 RCXALSGQZPMWRR-UHFFFAOYSA-N 379.869 2.379 50 50 GEGA COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)c1O 2903601 PKXKVLRTNDVICS-GIJQJNRQSA-N 392.209 2.252 50 50 GEGA CCOC(=O)C1=C(CBr)N(C)C(=O)N[C@@H]1c1ccc(O)c(OC)c1 4753511 YTBHQOCTUUNYRY-CQSZACIVSA-N 399.241 2.309 50 50 GEGA CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)[C@@]13CC[C@@](C)([C@H](O)C1)C3(C)C)C[C@@H]2O 135777633 KTHKFBXSXFSTAX-DXEQHQBFSA-N 392.540 2.288 50 50 GEGA O=C(Cn1c(=O)sc2ccccc21)Oc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 104135434 ZOLWQCDFEMHRQF-UHFFFAOYSA-N 375.318 2.485 50 50 GEGA C[C@H]1Oc2ccccc2N(CCC(=O)NCCSSCCC(=O)O)C1=O 1875389003 YBCKSNUUIJPVLL-GFCCVEGCSA-N 398.506 2.163 50 50 GEGA CCCN1C(=O)/C(=N\NC(=O)c2cc(C)n[nH]2)c2cc(Br)ccc21 18286249 FEWGZOYOTOYVJL-ZHZULCJRSA-N 390.241 2.371 50 50 GEGA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NNC(=O)c2cccc(Cl)n2)CC1=O 2325895313 XAPYFNZEZPSOPR-GXTWGEPZSA-N 386.839 2.106 50 50 GEGA C[C@]1(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)Oc2ccccc2NC1=O 4089358 RFSPZHNDGPIPQZ-KRWDZBQOSA-N 393.321 2.256 50 50 GEGA CN(NC(=O)c1cc(-c2ccccc2)n2cnc(C(N)=O)c2n1)c1ccccc1 1875350234 FUCXYNCLYUUDDI-UHFFFAOYSA-N 386.415 2.276 50 50 GEGA O=C(O)CCSSCCNC(=O)CNC(=O)c1ccc(Cl)cc1 1875388711 NBEWGRWWCILAMP-UHFFFAOYSA-N 376.887 2.042 50 50 GEGA CN(NC(=O)c1ccn(Cn2cc(Br)cn2)n1)c1ccccc1 2783956 QXAVMLLXLXOUNO-UHFFFAOYSA-N 375.230 2.129 50 50 GEGA C=CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(OC)c(OC)c1 4329975 LGTKDQSYLKMWQU-YDZHTSKRSA-N 397.431 2.149 50 50 GEGA Cc1cc(OCC(=O)NNC(=S)NCc2ccc(F)cc2)ccc1[N+](=O)[O-] 2853870 XUDSLMQGVWHVNN-UHFFFAOYSA-N 392.412 2.117 50 50 GEGA O=C(O)Cc1ccc(S(=O)(=O)NNC(=O)c2ccc3ccccc3c2)cc1 739886372 GPEXHQRHULPGBE-UHFFFAOYSA-N 384.413 2.090 50 50 GEGA [N-]=[N+]=NCCOCCOCCOCCOC(=O)Oc1ccc([N+](=O)[O-])cc1 205373216 NEBKYWFZPUXXJD-UHFFFAOYSA-N 384.345 2.470 50 50 GEGA in-vitro CCOCCCNC(=S)NNC(=O)c1cccc(OC(F)(F)C(F)F)c1 6402377 FGRZBPPYFCZCKD-UHFFFAOYSA-N 397.394 2.459 50 50 GEGA O=C(CCl)N[C@H](CNC(=O)[C@]12CCCCC(=O)N1CCC2)c1ccccc1 1875383997 IURVIKSEPOZPAT-OXQOHEQNSA-N 391.899 2.134 50 50 GEGA COc1ccc(/C=N/NC(=O)C(=O)Nc2nc3ccccc3s2)c(OC)c1 3468430 UNZUPZLXECZEEW-VXLYETTFSA-N 384.417 2.402 50 50 GEGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc(OC)ccc2O)cc1 4293238 LVNKLKQWAHLNRJ-WSDLNYQXSA-N 385.420 2.070 50 50 GEGA Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(N(C)C)C2=C1C(=O)CC(C)(C)C2 4742341 DLWSZMNJWOZZBN-QFIPXVFZSA-N 391.475 2.314 50 50 GEGA C/C(=N\NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1cccnc1 5024148 ZTHWFMOIDUCIBM-WNSCPLKPSA-N 386.477 2.023 50 50 GEGA C[C@H]1CN(c2ccc(C(=O)NCCSSCCC(=O)O)cn2)C[C@@H](C)O1 1875389076 ATRURGVZNZFJFZ-BETUJISGSA-N 399.538 2.281 50 50 GEGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1coc2ccccc2c1=O 2520065 REJDTGAEQXNBOF-LSFURLLWSA-N 383.791 2.327 50 50 GEGA O=C(C=Cc1ccc(Br)cc1)NC(=S)NNC(=O)c1ccco1 2049416605 LQHGOJVTPOAODN-UHFFFAOYSA-N 394.250 2.391 50 50 GEGA Cc1cc(=O)oc2cc(NC(=S)NNC(=O)c3c(Cl)cnn3C)ccc12 2855835 RDPJONPMRORBLD-UHFFFAOYSA-N 391.840 2.120 50 50 GEGA Cc1cc(OCC(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc(C)c1Cl 245227516 IOBFGALSNJVENI-YXAMBPQSSA-N 392.839 2.006 50 50 GEGA C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC(NC(=O)CCl)C1 1875384049 KOSJSSCSIVXKNN-UHFFFAOYSA-N 376.762 2.450 50 50 GEGA C[C@@H]1Oc2ccccc2N(CCC(=O)NCCSSCCC(=O)O)C1=O 1875389004 YBCKSNUUIJPVLL-LBPRGKRZSA-N 398.506 2.163 50 50 GEGA C=CCCCC(=O)N[C@H](C(=O)NCCSSCCC(=O)O)C(C)C 1875354979 WFYAQZCQVFGHSO-HNNXBMFYSA-N 376.544 2.456 50 50 GEGA N#Cc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(O)cc1O 3136638 NBLUASJHPVWSPC-UFWORHAWSA-N 390.193 2.261 50 50 GEGA C[C@H](c1ccccc1)N1C[C@H](C(=O)NNC(=O)c2cccc(Cl)n2)CC1=O 2325895316 XAPYFNZEZPSOPR-TZMCWYRMSA-N 386.839 2.106 50 50 GEGA COc1cc(/C=N/NC(=O)C[C@@H]2C(=O)NN=C2C)ccc1OCc1ccccc1 100609529 UALDXLQPOFBTOS-QQZPLFJDSA-N 394.431 2.236 50 50 GEGA O=C1Nc2ccccc2/C1=N\NC(=O)c1ccc(I)cc1 4737864 RYEAWGNUYVAMJZ-UHFFFAOYSA-N 391.168 2.377 50 50 GEGA CCc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1 3152086 KSUZSWQITAAVQM-GIJQJNRQSA-N 388.336 2.300 50 50 GEGA COc1ccc(N2C(N)=C(C#N)[C@H](c3cccnc3)C3=C2CCS3(=O)=O)cc1 4623354 INQQESPHMWKLJU-SFHVURJKSA-N 394.456 2.418 50 50 GEGA O=C(CCCCC(=O)N/N=C\c1cccc(O)c1)NN=Cc1cccc(O)c1 954204908 FENXYARLMRIBSG-GXLPUXAXSA-N 382.420 2.259 50 50 GEGA Cc1nc(CC(=O)N2CC[C@@H](C(F)(F)F)[C@H](NC(=O)CCl)C2)c(C)s1 1875383845 FQDPZDDIZQMGIS-ZYHUDNBSSA-N 397.850 2.437 50 50 GEGA COc1ccc(CCC(=O)NNC(=S)Nc2ccc3c(c2)OCCO3)cc1 6398022 QIHUBBJQEPYDFL-UHFFFAOYSA-N 387.461 2.417 50 50 GEGA C[C@H](NC(=O)CCl)C1CCN(C(=O)C[C@H]2COc3ccccc3O2)CC1 1875384465 QBHOJTVFRLIRRK-ZFWWWQNUSA-N 380.872 2.199 50 50 GEGA CCn1c(=O)c(C(=O)NNC(=O)c2ccccc2Cl)c(O)c2ccccc21 100551287 VGEMDDJFIFVZLI-UHFFFAOYSA-N 385.807 2.455 50 50 GEGA CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=S)Nc2ccc(F)cc2)C1 225554301 KPIIODPQLBFJDY-STQMWFEESA-N 380.489 2.428 50 50 GEGA COc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 1211937 BRRUJFHWMBYBFZ-HXJASHHUSA-N 382.376 2.107 50 50 GEGA C[C@H](Cl)C(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1875363751 XTRMZVSABGSNIQ-ZDUSSCGKSA-N 381.885 2.085 50 50 GEGA C[C@@H]1CCc2sc(C(=O)N3CCCO[C@@H](CNC(=O)CCl)C3)cc2C1 1875384474 QHIHOTQRXOLQBR-OCCSQVGLSA-N 384.929 2.459 50 50 GEGA CC(C)CCn1c(SCCCBr)nc2c1c(=O)[nH]c(=O)n2C 5252209 YTDSJDPURUBYGP-UHFFFAOYSA-N 389.319 2.347 50 50 GEGA C[C@H](Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 74941440 SYGXVEJFHVRYCX-QMMMGPOBSA-N 375.237 2.497 50 50 GEGA C[C@@H](Oc1c(Cl)cccc1Cl)C(=O)NNC(=S)NC[C@H]1CCCO1 6824052 PUAUZIYDIBGULB-NXEZZACHSA-N 392.308 2.435 50 50 GEGA CN(C)Cc1ccc(C(=O)NNC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)cc1 1875278235 KKWOUXDITJWRTD-SLFFLAALSA-N 378.476 2.421 50 50 GEGA COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccc(OC)c(Cl)c2)C(C#N)=C(N)O1 1386745 WVCDBRGUQDUSLV-HNNXBMFYSA-N 392.795 2.146 50 50 GEGA COc1ccc(S(=O)(=O)NNC(=O)[C@H]2Cc3c(ccc4ccccc34)O2)cc1 1394589 NULZJQIIBCPXEW-LJQANCHMSA-N 398.440 2.162 50 50 GEGA COc1cccc(/C=N/NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1O 946130 YWYPVHBKJGDTQP-VXLYETTFSA-N 381.348 2.463 50 50 GEGA CC(=O)Nc1c(C)c(CNC(=O)CCl)c(C)c(CNC(=O)CCl)c1C 98043059 UYMMKWRRRHMAJP-UHFFFAOYSA-N 388.295 2.280 50 50 GEGA NNC(=O)CN[C@H](c1cc(Br)ccc1N)c1ccccc1Cl 55129590 KGGZVGJVUALRCS-HNNXBMFYSA-N 383.677 2.354 50 50 GEGA COc1cc(Cl)cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c1O 55444299 IPLGLQKRLDNVOE-NFHBNPLMSA-N 387.823 2.034 50 50 GEGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc([N+](=O)[O-])c1O 12411395 LSYJDCKEUZWRIS-CQSZACIVSA-N 385.332 2.179 50 50 GEGA COc1cc([C@H]2C(C#N)=C(SCC(N)=O)NC3=C2C(=O)CCC3)ccc1O 2321761 AGRZLLMHVRIAKP-KRWDZBQOSA-N 385.445 2.048 50 50 GEGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/C(Br)=C/c1ccccc1 100151809 MHUOAYOZMGSCLN-RFOHYPBLSA-N 377.242 2.427 50 50 GEGA Cn1nc(C(F)(F)F)c(CNC(=O)C(C)(C)CCl)c1N1CCOCC1 6781585 WSKUBHDTJUHRAM-UHFFFAOYSA-N 382.814 2.157 50 50 GEGA Cc1ccc(/C=N/NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)o1 17076790 JQBJNSITFHTDBX-IYSPOMMRSA-N 375.450 2.139 50 50 GEGA O=C(CCCCC(=O)NN=Cc1cccc(O)c1)NN=Cc1cccc(O)c1 8574950 FENXYARLMRIBSG-UHFFFAOYSA-N 382.420 2.259 50 50 GEGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(OC)c3OC)[C@@H]2C1 16037446 CAGKUPBBGYWKDZ-IEBWSBKVSA-N 389.459 2.449 50 50 GEGA O=C(COc1ccc(F)cc1F)NNC(=S)Nc1ccc2c(c1)OCO2 17077914 MKWDARVYHOKVLC-UHFFFAOYSA-N 381.360 2.090 50 50 GEGA CC1CCC(N2C[C@H](C(=O)NNC(=O)c3ccc4ccccc4n3)CC2=O)CC1 170623340 ONKSNMZPMGPAJW-ARWYELJZSA-N 394.475 2.423 50 50 GEGA N#CC1=C(N)N(c2cccc(F)c2)C2=C(C(=O)OC2)[C@]12C(=O)Nc1ccccc12 4624386 AVBLYRAIKPWHHY-OAQYLSRUSA-N 388.358 2.041 50 50 GEGA Cn1ccc(C(=O)NNC(=S)Nc2ccc(Br)cc2Cl)n1 5041222 SOIBERUKYFTYJN-UHFFFAOYSA-N 388.678 2.467 50 50 GEGA CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2OC)cc1 5063483 RKKQINUJPVYARG-UHFFFAOYSA-N 385.420 2.274 50 50 GEGA O=C(CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N/N=C/c1ccccc1O 4829306 NAHDTDWEPXDFNC-UFWORHAWSA-N 391.771 2.226 50 50 GEGA COC(=O)c1cc(SC#N)ccc1NC(=O)CN1C(=O)c2ccccc2C1=O 4551724 ZWFFESQARFTAAC-UHFFFAOYSA-N 395.396 2.281 50 50 GEGA COc1ccc(/C=N/NC(=O)Cn2nnc3ccccc32)cc1Br 5675999 VTCIYJSAPVRYIJ-GIJQJNRQSA-N 388.225 2.353 50 50 GEGA Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1 2571174 LVDJLJQZEHZQFY-UHFFFAOYSA-N 377.853 2.363 50 50 GEGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(OC)ccc3OC)[C@H]2C1 19852514 IAGPQFQWPZXHST-AZUAARDMSA-N 389.459 2.449 50 50 GEGA O=C(CCCl)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 74941601 SIDRHZABIWHBME-UHFFFAOYSA-N 375.237 2.498 50 50 GEGA O=C(NNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccc(OC2CCCC2)cc1 239434020 YXCBAYFFEZSVOO-LBTBCDHLSA-N 384.432 2.292 50 50 GEGA C[C@@H](NC(=O)CCl)C1CCN(C(=O)[C@]2(C)OCCc3ccccc32)CC1 1875383769 DSMCDHNBDOOROX-JLTOFOAXSA-N 378.900 2.457 50 50 GEGA CC(=O)N[C@@H](CCC(C)C)C(=O)NC[C@H](NC(=O)CCl)c1ccccc1 1875384713 VDSOPJNOSNYUGZ-IRXDYDNUSA-N 381.904 2.140 50 50 GEGA Cn1ncc(C(=O)NNc2nc(-c3ccncc3)no2)c1Cc1ccccc1 770347888 DPRSROZCCQMVFP-UHFFFAOYSA-N 375.392 2.213 50 50 GEGA CCn1c(=O)c(C(=O)N/N=C/c2ccc(O)c(OC)c2)c(O)c2ccccc21 299738298 RNAHCNPCAUZPQE-SRZZPIQSSA-N 381.388 2.205 50 50 GEGA COc1ccc(Br)cc1/C=N/NC(=O)Cn1nnc2ccccc21 993728 GVDUOFZIOLPEFY-GIJQJNRQSA-N 388.225 2.353 50 50 GEGA CCS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)C1 13320608 RBKWGYBQKVHEKX-NPNVKNKFSA-N 391.415 2.217 50 50 GEGA O=C(CCl)NCc1ccc(CNC(=O)CN2CCCCCCC2=O)c(F)c1 1875384377 OCXWMXWOFBEXFE-UHFFFAOYSA-N 397.878 2.090 50 50 GEGA NN1C(=O)[C@]23CCCC[C@]2(C[C@H](Br)[C@@H](Br)C3)C1=O 101046052 DKZTZBGKIVQFPX-RJVLYZLMSA-N 380.080 2.097 50 50 GEGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(Cl)cc2)cc1OC 1878151 CUDLRMJLLDWXPA-UFFVCSGVSA-N 375.812 2.237 50 50 GEGA COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2O)cc1 3009011 UHTYQHUJFJZVSR-GIJQJNRQSA-N 392.209 2.252 50 50 GEGA COc1ccc(OC)c([C@@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CCC3)c1 2520981 BKSURBQKDDJGDG-QGZVFWFLSA-N 392.419 2.127 50 50 GEGA O=C(NNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccc(OC2CCCC2)cc1 225586829 YXCBAYFFEZSVOO-DFEHZGFQSA-N 384.432 2.292 50 50 GEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC(=O)N1CCOCC1 4549038 MZQPKIRQIXRHBL-GOSISDBHSA-N 395.415 2.332 50 50 GEGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N1CCCc3cccc2c31 1460199 HQHFYGBBVGXTFG-HSZRJFAPSA-N 397.390 2.458 50 50 GEGA COc1ccc(N2C(=O)[C@@H]3SC(N)=C(C#N)[C@@H](c4ccco4)[C@@H]3C2=O)cc1 137541317 HCRWTKWANUUJFG-HRCADAONSA-N 381.413 2.371 50 50 GEGA COC(=O)[C@@]1(Cc2ccccc2)N[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)OC(=O)[C@@H]21 221563542 AALQLXOJVZHYOM-LHUKNYEISA-N 399.830 2.455 50 50 GEGA COc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(OC)c(OC)c3)CC2=O)cc1 1210840 OQBLHJDLALEWTO-HJGVYBFFSA-N 397.431 2.216 50 50 GEGA O=C(Cn1nnc2ccccc21)N/N=C/c1cc(Br)ccc1F 5905569 CYXKSEOLSVJLFU-QGMBQPNBSA-N 376.189 2.483 50 50 GEGA COc1cc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)ccc1OC(C)C 1440816 PVTADMTUWXIBHN-KRWDZBQOSA-N 384.388 2.146 50 50 GEGA CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)ccc1O 2543920 NBYMPSXPDCRTNM-UFFVCSGVSA-N 375.812 2.324 50 50 GEGA O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1ccccc1O 22924939 UTJIBQDLOLITQF-LPYMAVHISA-N 386.883 2.314 50 50 GEGA COc1ccc(NC(=S)NNC(=O)COc2ccc(NC(C)=O)cc2)cc1 2380771 MZMJNXWUCMLCCE-UHFFFAOYSA-N 388.449 2.050 50 50 GEGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1coc2ccccc2c1=O 4258872 GZXZWCTWTOSKSY-LSFURLLWSA-N 383.791 2.327 50 50 GEGA COc1ccc(OC)c(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1 245311725 QOXMZEGHRJLCKD-BMTCLBQJSA-N 396.237 2.213 50 50 GEGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(OC)ccc3OC)[C@@H]2C1 13471531 IAGPQFQWPZXHST-UYAOXDASSA-N 389.459 2.449 50 50 GEGA CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(Br)c1O 1194212 NOGROEIBABJUJQ-RQZCQDPDSA-N 387.230 2.157 50 50 GEGA C[C@@H](NC(=O)CCl)C1CCN(C(=O)C[C@H]2COc3ccccc3O2)CC1 1875384463 QBHOJTVFRLIRRK-HIFRSBDPSA-N 380.872 2.199 50 50 GEGA CCOC(=O)C1=C(CBr)N(C)C(=O)N[C@H]1c1ccc(O)c(OC)c1 4753513 YTBHQOCTUUNYRY-AWEZNQCLSA-N 399.241 2.309 50 50 GEGA Cc1nnc(SCC(=O)N/N=C2\C(=O)Nc3ccccc32)n1-c1ccccc1 5593468 BMJQDYWFWSWPSW-UHFFFAOYSA-N 392.444 2.140 50 50 GEGA COc1ncc(C(=O)NCc2ccc([C@@H](C)NC(=O)CCl)cc2)c(C)n1 1875384567 SVNZXTIRNFMIGO-LLVKDONJSA-N 376.844 2.140 50 50 GEGA Cc1ccc(/C=N/NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)o1 17076791 JQBJNSITFHTDBX-UZUMKDMXSA-N 375.450 2.139 50 50 GEGA C/C(=C(/CCO)SSC[C@@H]1CCCO1)N(C=O)Cc1cnc(C)nc1N 2031042 JTLXCMOFVBXEKD-DLEKYWELSA-N 398.554 2.500 50 50 GEGA world O=C(CCl)NC1(C2CCN(C(=O)Cc3ccc4c(c3)OCCO4)CC2)CC1 1875384956 ZGALVGCFDWQMIC-UHFFFAOYSA-N 392.883 2.127 50 50 GEGA Cn1cccc(C(=O)N[C@@H](CNC(=O)CCl)c2ccc3ccccc3c2)c1=O 1875383645 BFXZVHIHIBAMGP-SFHVURJKSA-N 397.862 2.365 50 50 GEGA COc1ccc(C(=O)NNC(=O)C(C)(C)C)cc1I 2884910 IRRRMBWYNGPMQW-UHFFFAOYSA-N 376.194 2.107 50 50 GEGA CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccco2)cc1 4820407 NMERYNRNQRUDEZ-UHFFFAOYSA-N 388.449 2.358 50 50 GEGA O=C(CCl)NCC1(NC(=O)Cc2ccc3c(c2)CCCC3)CCOCC1 1875383646 BHIFTGYGFYWHNF-UHFFFAOYSA-N 378.900 2.128 50 50 GEGA CCOC(=O)c1ccc(NC(=O)NNC(=O)CCc2ccc(O)c(O)c2)cc1 2858407 YIQKLPVAMOEAAF-UHFFFAOYSA-N 387.392 2.060 50 50 GEGA Cc1ccc2snc(C(=O)N3CCO[C@@H]([C@H](C)NC(=O)CCl)C3)c2c1 1875384887 YDJUGKZMLHPLPK-WCQYABFASA-N 381.885 2.189 50 50 GEGA O=C(CSc1ccc2ccccc2n1)NNC(=O)c1ccccc1C(=O)O 1194165 SIVJXAGNBBGUBB-UHFFFAOYSA-N 381.413 2.486 50 50 GEGA O=C(N/N=C/c1cc(O)ccc1Br)[C@H]1COc2ccccc2O1 3190841 HXFCCCQTAIXHDJ-RIEVCORGSA-N 377.194 2.445 50 50 GEGA CN(C)Cc1ccc(C(=O)NNC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)cc1 1875278237 KKWOUXDITJWRTD-XUVXKRRUSA-N 378.476 2.421 50 50 GEGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1cc2ccccc2[nH]c1=O 4229170 DBMUVZWQYOJGHX-LSHDLFTRSA-N 382.807 2.062 50 50 GEGA COc1ccc(/C=N\NC(=O)c2ccc(Cn3cccn3)o2)c(OC)c1OC 17078419 WQWZUBNMOIGPKJ-JAIQZWGSSA-N 384.392 2.314 50 50 GEGA N#CCCCN1C(=O)/C(=N/NC(=O)c2ccc3c(c2)OCCO3)c2ccccc21 4739438 VEQSYRCMHVJUQP-FCDQGJHFSA-N 390.399 2.242 50 50 GEGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 2542657 LQWAFXKOTTYVGZ-WSDLNYQXSA-N 385.420 2.070 50 50 GEGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1 2571837 CWFVNTBYZGZVOS-RQZCQDPDSA-N 391.181 2.446 50 50 GEGA CCn1c(NNC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)nc2ccccc2c1=O 360850545 OTDOYEPFVSMNMJ-OAQYLSRUSA-N 392.415 2.031 50 50 GEGA CCO[Si](CCCN1C(=S)NC(C)(C)C[C@]1(C)O)(OCC)OCC 195818584 VCYUTHOYHUIKSP-INIZCTEOSA-N 378.611 2.492 50 50 GEGA CCS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)C1 13320606 RBKWGYBQKVHEKX-RNDVCUHJSA-N 391.415 2.217 50 50 GEGA CC(C)(C)C[C@@H]1CN(C(=O)Cc2cnn3c2CCCC3)C[C@H]1NC(=O)CCl 1875383201 KYIKNNIMBFPICQ-HZPDHXFCSA-N 394.947 2.380 50 50 GEGA COc1ccc(CC(=O)NNC(C)=C2C(=O)c3ccccc3C2=O)cc1OC 2543578 PRTSAFTWKRGIDE-UHFFFAOYSA-N 380.400 2.220 50 50 GEGA C/C(=N\NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccccn1 5023899 XPODSOLYNXBUSA-GXPOEHQZSA-N 386.477 2.023 50 50 GEGA C=C(C)Cn1c(SCC(=O)NN)nnc1-c1ccc(Br)cc1 4892918 LOJYYLXMQWABPH-UHFFFAOYSA-N 382.287 2.366 50 50 GEGA COc1cc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1O 4210692 UTIQMUZDKXTOTN-UFFVCSGVSA-N 398.444 2.302 50 50 GEGA COc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(OC)c1OC 2506229 RKBVXQKQXQHWIY-DJKKODMXSA-N 390.465 2.362 50 50 GEGA COc1ccc(S(=O)(=O)NNC(=O)[C@@H]2Cc3c(ccc4ccccc34)O2)cc1 1394590 NULZJQIIBCPXEW-IBGZPJMESA-N 398.440 2.162 50 50 GEGA Cc1ncnc2c1C[C@H](C(=O)N(C)CC[C@H](NC(=O)CCl)C(C)C)CC2 1875383852 FVHMYUNHMDUSPM-ZBFHGGJFSA-N 380.920 2.118 50 50 GEGA O=C(CCl)N[C@H](CNC(=O)[C@@]12CCCCC(=O)N1CCC2)c1ccccc1 1875383998 IURVIKSEPOZPAT-UZLBHIALSA-N 391.899 2.134 50 50 GEGA CC(C)Oc1cnc(C(=O)N2C[C@@H](NC(=O)CCl)[C@H](CC(C)(C)C)C2)cn1 1875383394 RTMIQJPFPVIHFC-UKRRQHHQSA-N 396.919 2.496 50 50 GEGA COc1ccc2cccc(CC(=O)N[C@@H]3CCOC[C@@H]3NC(=O)CCl)c2c1 1875383004 BFWZFQDDKBRHID-MSOLQXFVSA-N 390.867 2.020 50 50 GEGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)ccc1O 2571785 ZOBCGXWNAPBNSX-GIJQJNRQSA-N 392.209 2.252 50 50 GEGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 38162974 MSKSNNXIOYHJMW-QGMBQPNBSA-N 376.756 2.351 50 50 GEGA COCCCNC(=S)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12 5041416 MIGDUWYCEUAMIK-UHFFFAOYSA-N 395.488 2.442 50 50 GEGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 2543869 LLFGOFWEWMXWQE-CIAFOILYSA-N 384.392 2.264 50 50 GEGA COc1cc(Cl)cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c1O 1187638 YUWZPHAXYOLMBI-QGMBQPNBSA-N 379.756 2.492 50 50 GEGA C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NC1(CNC(=O)CCl)CCCCC1 1875383606 AMRICPQTXSXMBE-SUMWQHHRSA-N 380.872 2.389 50 50 GEGA CCC(C(=O)N/N=C/c1cccc(OC)c1)C(=O)N/N=C/c1cccc(OC)c1 39959619 SIAKLHZRFKGGTD-MSKUYSOUSA-N 396.447 2.330 50 50 GEGA C[C@@H](Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 74941442 SYGXVEJFHVRYCX-MRVPVSSYSA-N 375.237 2.497 50 50 GEGA O=C(N/N=C/c1ccncc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 4282706 YLASSKSNLQZBMD-OEAKJJBVSA-N 393.447 2.233 50 50 GEGA COc1cc(C(=O)NNC(C)=C2C(=O)c3ccccc3C2=O)cc(OC)c1OC 2549640 DNNUJBPCLOKTLB-UHFFFAOYSA-N 396.399 2.300 50 50 GEGA O=C(CCl)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cn(-c2ccccc2)nn1 1875383003 BAOXEZSLJPRNGB-VQIMIIECSA-N 395.850 2.018 50 50 GEGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2coc3ccccc3c2=O)cc1 6207574 UULREKOJOOXSTM-SRZZPIQSSA-N 379.372 2.281 50 50 GEGA COc1ccc(C2=NO[C@H]3[C@H]4CO[C@@H](O4)/C(=N\NC(=O)c4ccsc4)[C@H]23)cc1 824659956 WLPRYIDFGAYGMT-VUWLAZRLSA-N 399.428 2.017 50 50 GEGA O=C(O)CCSSCCNC(=O)C1(c2ccc3c(c2)OCCO3)CC1 1875388714 NFQAKVNYDUWWCB-UHFFFAOYSA-N 383.491 2.462 50 50 GEGA COc1ccc(N2C(N)=C(C#N)[C@@H](c3cccnc3)C3=C2CCS3(=O)=O)cc1 4623353 INQQESPHMWKLJU-GOSISDBHSA-N 394.456 2.418 50 50 GEGA N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)NC[C@@H]1CCCO1 1462472 APRXORKCNSEWGN-QNCMIEPLSA-N 379.210 2.380 50 50 GEGA C[C@@H](Oc1c(Cl)cccc1Cl)C(=O)NNC(=S)NC[C@@H]1CCCO1 6824050 PUAUZIYDIBGULB-ZJUUUORDSA-N 392.308 2.435 50 50 GEGA COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccs2)S(C)(=O)=O)cc1 5010067 WEIXWSNTJGHZMJ-OOIIIRTPSA-N 381.479 2.062 50 50 GEGA COc1cccc([C@@H]2C(C#N)=C(N)N(c3ncn[nH]3)C3=C2C(=O)CCC3)c1OC 6728127 PZKPJLURCAKCCI-MRXNPFEDSA-N 392.419 2.127 50 50 GEGA O=C(O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1 4360106 PHNRXRDXJPORPN-WSDLNYQXSA-N 391.383 2.392 50 50 GEGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1cccc(F)c1 4347383 BQNZAGGWHDNYED-AWQFTUOYSA-N 378.201 2.468 50 50 GEGA COc1ccc(C(=O)C[n+]2cccc(C(=O)N/N=C/c3ccccc3O)c2)cc1 1951803 SMMNHBMOYQVUED-UHFFFAOYSA-O 390.419 2.335 50 50 GEGA C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c1O 22916765 YQNRVGJCPCNMKT-LFVJCYFKSA-N 392.503 2.389 50 50 GEGA investigational CN(C)c1ccc(/C=N/NC(=O)CNC(=O)NCc2ccccc2)c(Cl)c1 2141453 JGXDJORANVAELL-FSJBWODESA-N 387.871 2.356 50 50 GEGA O=C(CCl)NC[C@H](NC(=O)c1nc2c(s1)COCC2)C1CCCCC1 1875383894 GMCYXCMKZIWCBE-ZDUSSCGKSA-N 385.917 2.250 50 50 GEGA C/C(=N\NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccncc1 5023447 SIJAWQMVKPCODC-LBSLPOPVSA-N 386.477 2.023 50 50 GEGA C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1c(O)cc(C)oc1=O 4155200 RQUKSCRBZKQXFP-HZHRSRAPSA-N 392.411 2.430 50 50 GEGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@]21C(=O)N(C)c2ccccc21 4728112 GSKSLMRVDOGEGX-IBGZPJMESA-N 381.413 2.192 50 50 GEGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cc2ccccc2[nH]c1=O 2520330 MOGMAQGGOWTOLW-LSHDLFTRSA-N 382.807 2.062 50 50 GEGA COc1ccc(-c2nnc(SCC(=O)NN)n2-c2ccccc2)cc1OC 822648 GTVLZZOBTKDSQZ-UHFFFAOYSA-N 385.449 2.034 50 50 GEGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C3/C(=O)Nc4ccccc43)[nH]n2)c1 5093791 GPBYTEPQGZTAST-UHFFFAOYSA-N 391.387 2.180 50 50 GEGA O=C(Cc1ccc2c(c1)COCC2)N[C@H]1C[C@@H](NC(=O)CCl)C12CCC2 1875384486 QOXDDZBRFQZCHJ-DLBZAZTESA-N 376.884 2.084 50 50 GEGA COc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)cc1 1922188 MHJPJAGYTQIXJG-KEBDBYFISA-N 390.237 2.338 50 50 GEGA Cc1cc(C)c([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1CN1CCOCC1 20472697 REIFMOBSVZOQAF-IBGZPJMESA-N 379.464 2.385 50 50 GEGA C/C(=N\NC(=O)CN1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 13142762 NVZSQUSTRBKANP-OQKWZONESA-N 395.463 2.253 50 50 GEGA O=C(CCl)N[C@@H]1C[C@@H](NC(=O)c2cnn(CCC(F)(F)F)c2)C12CCC2 1875383631 AXWOHNKFINMMGD-VXGBXAGGSA-N 392.809 2.232 50 50 GEGA COC1(C(F)(F)C(=O)N[C@@H]2Cc3ccccc3[C@H]2NC(=O)CCl)CCC1 1875383109 HARSUUICIWHIHA-UKRRQHHQSA-N 386.826 2.328 50 50 GEGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC 3008821 OHVWIAGCUVUVRS-KEBDBYFISA-N 391.811 2.455 50 50 GEGA Cc1c(CC(=O)NN=c2cc[nH]cc2Cl)nnn1-c1cccc(Cl)c1 1875260908 IZVLLLUCGSXNAC-UHFFFAOYSA-N 377.235 2.385 50 50 GEGA COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)ccc1O 1427043 VHXNALBFUQALKA-QGZVFWFLSA-N 375.384 2.471 50 50 GEGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@]21C(=O)N(C)c2ccccc21 4728110 GSKSLMRVDOGEGX-LJQANCHMSA-N 381.413 2.192 50 50 GEGA O=C(N/N=C/c1ccncc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 2520260 VXADQZQPWYEWFO-OEAKJJBVSA-N 387.399 2.423 50 50 GEGA COc1ccc(OC)c(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1 245311727 QOXMZEGHRJLCKD-GFIYSBKGSA-N 396.237 2.213 50 50 GEGA Cc1cc(OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1Cl 817942 PMNFSJGVDMYHTD-MRXNPFEDSA-N 376.796 2.015 50 50 GEGA COc1ccc(Br)cc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 2881403 FIVZVFZDYCPWKJ-UHFFFAOYSA-N 394.181 2.441 50 50 GEGA COc1ccc(/C=N/NC(=O)CCCC(=O)N/N=C/c2ccc(OC)cc2)cc1 1691894 FCLFZMTZAVGGJN-HOFJZWJUSA-N 396.447 2.475 50 50 GEGA N#Cc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(O)c(O)c1 3136635 FLAXVYNLKHBXNH-UFWORHAWSA-N 390.193 2.261 50 50 GEGA O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NCc1ccco1 2856756 AADFKLGBGFVHRV-UHFFFAOYSA-N 380.857 2.347 50 50 GEGA CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(C)cc2C)cc1 17076971 RIBRKJNYQCNPAQ-UHFFFAOYSA-N 376.438 2.277 50 50 GEGA O=C(NCC(F)(F)F)NNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170623059 MIHBCLLGBGKYGK-UHFFFAOYSA-N 397.235 2.262 50 50 GEGA NNC(=O)Cc1csc(NC(=O)CSc2nc3ccccc3s2)n1 3053213 WEDIRYBVKFRNRE-UHFFFAOYSA-N 379.492 2.016 50 50 GEGA COc1ccc(O)c(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)c1 4210281 ODYNQIYMDMABAE-UFFVCSGVSA-N 398.444 2.302 50 50 GEGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC)c2O)cc1 2544056 FKPJTAGLCMJGPM-WSDLNYQXSA-N 385.420 2.070 50 50 GEGA COc1cc(B(O)O)c(C=O)cc1OCc1c(Cl)cccc1Br 2325854029 LLPAETHPDICSHK-UHFFFAOYSA-N 399.433 2.182 50 50 GEGA O=C(CCl)N[C@@H]1CN(C(=O)Cc2noc3ccc(F)cc23)C[C@H]1C1CC1 1875383255 MITUHUYDPADJNF-DZGCQCFKSA-N 379.819 2.101 50 50 GEGA COC(=O)[C@]1(Cc2ccccc2)N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)OC(=O)[C@H]21 252427619 AALQLXOJVZHYOM-ZGPJWRFFSA-N 399.830 2.455 50 50 GEGA COc1ccc(-c2cc(C(=O)N/N=C3\C(=O)Nc4ccccc43)[nH]n2)cc1OC 5445767 SPDYKMNYLPDCKG-UHFFFAOYSA-N 391.387 2.180 50 50 GEGA C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NC1(CNC(=O)CCl)CCCCC1 1875383604 AMRICPQTXSXMBE-DYVFJYSZSA-N 380.872 2.389 50 50 GEGA COc1cccnc1CC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 225501504 KGFSTMBIQWYNJL-AWEZNQCLSA-N 379.416 2.401 50 50 GEGA O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)[C@@H]1COc2ccccc2O1 2329606 VHOFBTQVXLQYOJ-AVWXOPBPSA-N 377.740 2.244 50 50 GEGA C[C@H](Oc1c(Cl)cccc1Cl)C(=O)NNC(=S)NC[C@@H]1CCCO1 6763131 PUAUZIYDIBGULB-UWVGGRQHSA-N 392.308 2.435 50 50 GEGA CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)CNC(=O)C1CCCCC1 5050372 CEYIUHFHAZMDTR-OAHLLOKOSA-N 389.496 2.423 50 50 GEGA C=CCOc1cccc(/C=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c1 4287303 XCZDGPJFXSRUND-YDZHTSKRSA-N 397.431 2.149 50 50 GEGA COc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCCC3)c3ccccc32)cc1 95202416 YHOUDHSSKFRSGS-QOCHGBHMSA-N 378.432 2.229 50 50 GEGA O=C(N/N=C/c1cccc(O)c1O)c1cccc(I)c1 727612 KQEGQZXEJLPEED-LZYBPNLTSA-N 382.157 2.466 50 50 GEGA CC(C)(C)OC(=O)Nc1ccc2c(c1)cc(B(O)O)n2C(=O)OC(C)(C)C 169983351 SCZOPXMWIHYWGN-UHFFFAOYSA-N 376.218 2.451 50 50 GEGA COc1ccc(OC)c(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)c1 5513079 PAHJNSFRLFULGW-UFFVCSGVSA-N 375.812 2.237 50 50 GEGA COC(=O)C[C@@H](NC(=O)CCl)c1cccc(I)c1 1331913735 ZOYZBEDXAHHBNA-SNVBAGLBSA-N 381.597 2.250 50 50 GEGA O=C(COc1ccccc1)NNC(=O)COc1ccc(Br)cc1 1886302 HCQURGVUULLTKF-UHFFFAOYSA-N 379.210 2.054 50 50 GEGA O=C(NNC(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1ccccc1I 239284867 CGRJAYGNEDACHD-IWIIMEHWSA-N 384.217 2.488 50 50 GEGA C[C@@H](C(=O)C(Br)Br)N1C(=O)c2ccccc2C1=O 950733944 IDPAFQPINBFLQW-LURJTMIESA-N 375.016 2.356 50 50 GEGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2Br)cc1 4287069 HPPKSRCNQDRWDC-KEBDBYFISA-N 390.237 2.338 50 50 GEGA N#Cc1c(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)sc2c1CCCC2 4209894 MDBDIAVIKROLND-ZVBGSRNCSA-N 396.428 2.316 50 50 GEGA C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccccc1 4472956 TXLUMBNZQZYLAS-CIAFOILYSA-N 388.391 2.054 50 50 GEGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1cccc(Br)c1 4756364 CBUYPBXNPYMNDX-UHFFFAOYSA-N 389.165 2.444 50 50 GEGA CCO[Si](CCCN1C(=S)NC(C)(C)C[C@@]1(C)O)(OCC)OCC 195818582 VCYUTHOYHUIKSP-MRXNPFEDSA-N 378.611 2.492 50 50 GEGA Cc1cc(OC(C)(C)C(=O)NNC(=S)NC[C@H]2CCCO2)ccc1Cl 6825955 QQIUNEAXCIHZJW-CYBMUJFWSA-N 385.917 2.480 50 50 GEGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(OC)c3OC)[C@H]2C1 4102676 CAGKUPBBGYWKDZ-PKOBYXMFSA-N 389.459 2.449 50 50 GEGA COc1ccc(/C=N/NC(=O)c2ccccn2)cc1I 1021816 NVIGYQYBQHXUCW-RQZCQDPDSA-N 381.173 2.459 50 50 GEGA Cc1noc2nc(C(C)C)cc(C(=O)NNc3ccc(-n4ccnc4)nn3)c12 225701056 GJHNOWQRBHZXIW-UHFFFAOYSA-N 378.396 2.387 50 50 GEGA O=C(N/N=C/c1ccc(O)c(O)c1)c1cccc(I)c1 705553 VRDXFUHQDCGOBW-LZYBPNLTSA-N 382.157 2.466 50 50 GEGA CCS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2cccc(C(F)(F)F)c2)C1 13320833 DIOMPEUXQGDSBN-NPNVKNKFSA-N 391.415 2.217 50 50 GEGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1COc2ccccc2O1 3191952 XUPXCWHFMXAWGV-IGSPZPEDSA-N 393.302 2.486 50 50 GEGA C[C@H]1CCc2sc(C(=O)N3CCCO[C@H](CNC(=O)CCl)C3)cc2C1 1875384472 QHIHOTQRXOLQBR-GXTWGEPZSA-N 384.929 2.459 50 50 GEGA NN1C(=O)[C@]23CCCC[C@]2(C[C@H](Br)[C@H](Br)C3)C1=O 216393173 DKZTZBGKIVQFPX-ZTCHHREXSA-N 380.080 2.097 50 50 GEGA COc1ncc(C(=O)NCc2ccc([C@H](C)NC(=O)CCl)cc2)c(C)n1 1875384568 SVNZXTIRNFMIGO-NSHDSACASA-N 376.844 2.140 50 50 GEGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(O)cc2O)cc1 4282566 XNMQPYFBVVPWRT-WSDLNYQXSA-N 385.420 2.157 50 50 GEGA CN(C)Cc1ccc(C(=O)NNC(=O)N[C@H]2[C@@H]3c4ccccc4CC[C@H]32)cc1 1875278236 KKWOUXDITJWRTD-VAMGGRTRSA-N 378.476 2.421 50 50 GEGA O=C(CCl)N[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)OCCCO3)C12CCC2 1875384844 XLHQSABEGFLYIB-JKSUJKDBSA-N 378.856 2.244 50 50 GEGA COCCCNC(=O)CC(=O)N/N=C/c1ccccc1OCc1ccccc1 5018670 DETDIZGZJPYUDH-HZHRSRAPSA-N 383.448 2.259 50 50 GEGA COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(Br)c1O 1214352 QXRXWBOKMLECCM-UHPUNMKFSA-N 379.210 2.347 50 50 GEGA COc1ccc(/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 4210309 WSBFLNLFESCSPQ-YBFXNURJSA-N 381.417 2.303 50 50 GEGA O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NN=Cc1ccccc1O 238881682 AXZAORNPYTWRRN-UHFFFAOYSA-N 382.445 2.193 50 50 GEGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1ccccc1Br 7894066 GOVHIKUOQMGGEA-UHFFFAOYSA-N 389.165 2.444 50 50 GEGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(Br)c2)cc1 4360099 DTALZKKNSBRXFJ-KEBDBYFISA-N 390.237 2.338 50 50 GEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(OC)c(OC)cc2OC)cc1 2543956 KCOZQEFBKUTIDL-CIAFOILYSA-N 385.420 2.364 50 50 GEGA O=C(CCl)N[C@H]1C[C@H](NC(=O)c2ccc3c(c2)OCCCO3)C12CCC2 1875384787 XLHQSABEGFLYIB-HOTGVXAUSA-N 378.856 2.244 50 50 GEGA O=C(CCl)N[C@@H]1C[C@H](NC(=O)c2cc(F)cc3nccnc23)C12CCC2 1875383897 GPEODMKWJHOMMQ-KGLIPLIRSA-N 376.819 2.165 50 50 GEGA O=C(N/N=C/c1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Br)c1 2900836 VXEGXDPLXAVXOU-GIJQJNRQSA-N 390.193 2.236 50 50 GEGA O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1n[nH]c2c1CCCC2 18178532 KLXOKGBMEJMAQJ-UHFFFAOYSA-N 388.225 2.137 50 50 GEGA Cn1cc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2NC(=O)CCl)c(C(C)(C)C)n1 1875383511 WWZYGCKQRXNVND-NVXWUHKLSA-N 388.899 2.468 50 50 GEGA Cc1cc(OCC(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc(C)c1Cl 138686095 ZPMYSLVNAALTSX-GVAFMPQTSA-N 394.855 2.230 50 50 GEGA COc1ccc(C(=O)NNC(=S)Nc2cccc([N+](=O)[O-])c2)cc1OC 1119802 AXKJEJLAOUPBMU-UHFFFAOYSA-N 376.394 2.243 50 50 GEGA O=C(CCl)N[C@@H]1C[C@@H](NC(=O)c2cc(F)cc3nccnc23)C12CCC2 1875383899 GPEODMKWJHOMMQ-ZIAGYGMSSA-N 376.819 2.165 50 50 GEGA O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(Br)cc1 2571787 WSJGAOFHUKOONP-QGMBQPNBSA-N 390.193 2.267 50 50 GEGA Cn1c(=O)[nH]c(=O)c2c1nc(SCCCl)n2CCCc1ccccc1 2057300 OJZVHJMVKNWUKY-UHFFFAOYSA-N 378.885 2.387 50 50 GEGA CCOC(=O)c1ccc(NC(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 2852641 DBWDPXLSIHALIB-UHFFFAOYSA-N 386.364 2.167 50 50 GEGA CCn1cc(/C=C(/C#N)C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C#N)cn1 17078088 SYTWDBHEZBPHMB-MLPAPPSSSA-N 382.449 2.392 50 50 GEGA C[C@@H]1CCc2sc(C(=O)N3CCCO[C@H](CNC(=O)CCl)C3)cc2C1 1875384475 QHIHOTQRXOLQBR-TZMCWYRMSA-N 384.929 2.459 50 50 GEGA Cn1cc2c(n1)CCC[C@@H]2C(=O)N[C@@H](CNC(=O)CCl)C1CCCCC1 1875384271 NNUNMQKFIOQHJH-YOEHRIQHSA-N 380.920 2.260 50 50 GEGA O=C(CCl)NCCCCCCNC(=O)c1c(O)c2ccccc2oc1=O 3082360 YUTYIHKTUKMBPY-UHFFFAOYSA-N 380.828 2.144 50 50 GEGA Cc1ccc(C(=O)NN=C(O)c2cc(Cl)sc2S(N)(=O)=O)s1 328590168 ZGQPEMQVKLQBTP-UHFFFAOYSA-N 379.872 2.068 50 50 GEGA COc1cc(/C=N/NC(=O)CCn2nc([N+](=O)[O-])cc2C)ccc1OC(F)F 2782709 QDRAMXBKQZHAMQ-DJKKODMXSA-N 397.338 2.250 50 50 GEGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(-c2cccn2C)[nH]n1 13478180 QXDLTJZVPLCQFM-RGVLZGJSSA-N 383.408 2.205 50 50 GEGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 2544225 SNJDLTNODMFSMW-OEAKJJBVSA-N 382.464 2.422 50 50 GEGA COc1ccc(NC(=O)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 4287151 MAOCCEAEMPZLBP-GIJQJNRQSA-N 376.756 2.346 50 50 GEGA CCCn1c(=O)c(C(=O)NNC(=O)Cc2ccccc2)c(O)c2ccccc21 100505083 QPRJYGJTTUTJBJ-UHFFFAOYSA-N 379.416 2.121 50 50 GEGA CC(=O)Nc1ccc(Br)cc1[C@@H](NCC(=O)NN)c1ccccc1 55372562 YNYSRPHHMRMMIC-KRWDZBQOSA-N 391.269 2.076 50 50 GEGA COc1cc(C(=O)NCC(=O)N/N=C/C=C/c2ccccc2)cc(OC)c1OC 3162827 OCIJXUHDNCNWMH-XIUMHLFGSA-N 397.431 2.258 50 50 GEGA CC1CCC(N2C[C@@H](C(=O)NNC(=O)c3ccc4ccccc4n3)CC2=O)CC1 170623341 ONKSNMZPMGPAJW-WIHSUSGWSA-N 394.475 2.423 50 50 GEGA O=C(NNC(=O)[C@@H]1CCCS1)c1cc(Cl)nn1-c1ncccc1Cl 1875294290 QJBBPIHFNHNZKU-JTQLQIEISA-N 386.264 2.231 50 50 GEGA CC(C)(Cc1ccc(O)cc1)NC(=O)CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 2957163 VUTPWSJNUPTWKG-FYJGNVAPSA-N 398.419 2.278 50 50 GEGA CCn1cc(/C=N/NC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)c2ccccc21 13320809 XQBAANPQVQKEPJ-SLDJAQPHSA-N 390.509 2.173 50 50 GEGA COc1ccc(Cl)cc1NC(=O)NNC(=O)COc1ccc2c(c1)OCO2 17080465 QZCISIGGAQGETP-UHFFFAOYSA-N 393.783 2.309 50 50 GEGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 4189143 LLYCONRSKNIDAA-IBGZPJMESA-N 380.360 2.152 50 50 GEGA COc1ccccc1/C=N/NC(=O)CCC(=O)N/N=C/c1ccccc1OC 2379687 DDJCJBPBGKXKPX-JFMUQQRKSA-N 382.420 2.084 50 50 GEGA C/C(=N\NC(=O)c1ccc(Br)o1)c1cccc(-n2cnnn2)c1 5494670 HEJKZWAMGDKWEE-RQZCQDPDSA-N 375.186 2.172 50 50 GEGA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NNC(=O)c2cccc(Cl)n2)CC1=O 2325895314 XAPYFNZEZPSOPR-JSGCOSHPSA-N 386.839 2.106 50 50 GEGA COc1ccc(/C=C(/C#N)C(=O)NCCc2ccc(OC)c(OC)c2)cc1CO 17080999 KCKPJUYSLUXHAC-YVLHZVERSA-N 396.443 2.471 50 50 GEGA Cc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1[N+](=O)[O-] 239165143 NOGGKUKOQSFSLZ-JOJVEKOVSA-N 395.209 2.413 50 50 GEGA O=C(N/N=C1\C(=O)N(CN2CCCCCC2)c2ccccc21)c1ccncc1 19790908 RVKCWJLNBWXKKF-NMWGTECJSA-N 377.448 2.396 50 50 GEGA CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)c1O 18106943 FKVIOPHCFRSFAZ-GIJQJNRQSA-N 375.385 2.484 50 50 GEGA O=C(O)CCSSCCNC(=O)CCCNC(=O)NC1CCCCC1 1875389560 STVZXKYRDNGJFM-UHFFFAOYSA-N 391.559 2.371 50 50 GEGA CCOC(=O)C1=C(CI)NC(=O)N[C@H]1c1ccccc1 842415 YRJBRNFRQFUDSP-LBPRGKRZSA-N 386.189 2.293 50 50 GEGA COc1cc(C(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 13147192 WUWNIFIMCKJGFZ-UHFFFAOYSA-N 390.352 2.087 50 50 GEGA O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1ccc(O)cc1 22924824 JFMOCYXCLGRJHN-LPYMAVHISA-N 386.883 2.314 50 50 GEGA COCCCN1C(=O)c2ccc(C(=O)Oc3ccc([N+](=O)[O-])cc3)cc2C1=O 2826512 XTDCDYQMAGAQGV-UHFFFAOYSA-N 384.344 2.447 50 50 GEGA O=C(N=c1cc[nH]cc1)NNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 1875252814 IIGBCBMKLZTXEX-UHFFFAOYSA-N 391.362 2.104 50 50 GEGA CCOc1ccc(/C=N/NC(=O)c2c(Br)cnn2C)cc1OC 675973 ZJKNQHFVMMUBNH-CAOOACKPSA-N 381.230 2.354 50 50 GEGA Cn1c(SCC(=O)N/N=C/c2ccccc2OCC(=O)O)nc2ccccc21 1475017 QCNIUSGHRWCDCG-KEBDBYFISA-N 398.444 2.279 50 50 GEGA O=C(CSc1c(C(=O)O)nc2ccccn12)N/N=C/c1ccc([N+](=O)[O-])cc1 43761239 SJZQNNQMDLYPGR-GIJQJNRQSA-N 399.388 2.183 50 50 GEGA CCc1c(C)sc(NC(=S)NNC(=O)c2ccncc2)c1C(=O)OC 17077411 RHWXGXCXTHKBHR-UHFFFAOYSA-N 378.479 2.432 50 50 GEGA CN(/N=C1\c2ccccc2C(=O)c2c(O)cccc21)P(=O)(N1CC1)N1CC1 102266429 ISKNPQHHSMRIBQ-CZIZESTLSA-N 382.360 2.360 50 50 GEGA O=C(NNC(=O)c1ccc(Cn2cccn2)o1)NC12CC3CC(CC(C3)C1)C2 4645991 HHWDRPOZXCSNHT-UHFFFAOYSA-N 383.452 2.437 50 50 GEGA O=C(CCl)NCc1ccc(CNC(=O)[C@@H]2COc3ccccc32)c(F)c1 1875383988 IQSAHCDFSARIMR-OAHLLOKOSA-N 376.815 2.473 50 50 GEGA CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)C(C#N)=C(N)O1 680177 ZXPHXYPZZIXRSA-QGZVFWFLSA-N 386.404 2.273 50 50 GEGA CC1(CNC(=O)CCl)CCN(C(=O)[C@@]2(C)COc3ccccc3O2)CC1 1875384389 OEROSQSROKAEGL-LJQANCHMSA-N 380.872 2.200 50 50 GEGA Cc1ccc2snc(C(=O)N3CCO[C@@H]([C@@H](C)NC(=O)CCl)C3)c2c1 1875384885 YDJUGKZMLHPLPK-DGCLKSJQSA-N 381.885 2.189 50 50 GEGA CN(CC(=O)NNc1cccc2c1CCCC2)C1=NS(=O)(=O)c2ccccc21 120453217 UWHGGQMHCMHVJL-UHFFFAOYSA-N 398.488 2.089 50 50 GEGA COc1ccc(CCNC(=S)NNC(=O)CCc2ccccc2)cc1OC 6490743 BGIRPIMEJIIMFJ-UHFFFAOYSA-N 387.505 2.374 50 50 GEGA CC(C)[C@H](CCN(C)C(=O)c1nn2cccnc2c1Cl)NC(=O)CCl 1875384540 SEAINAYAMXCISK-NSHDSACASA-N 386.283 2.224 50 50 GEGA Cc1c(NC(=S)NNC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 1462279 WIIPLCOPNQNQPF-UHFFFAOYSA-N 381.461 2.116 50 50 GEGA CCS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)C1 13321193 NRVJJAFZJWMEEU-RBYWHNRPSA-N 379.526 2.496 50 50 GEGA Br[C@@H]1C[C@H]2[C@H](C[C@@H](Br)C23OCCO3)C12OCCO2 101141997 KTSSPGNMSGIYQK-AXTSPUMRSA-N 384.064 2.039 50 50 GEGA O=C(CCCCC(=O)N/N=C\c1ccc(O)cc1)NN=Cc1ccc(O)cc1 954204909 LUEZLPXNMIUXOW-GXLPUXAXSA-N 382.420 2.259 50 50 GEGA Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)[C@H]1CC=CC[C@H]1C(=O)O 239135364 LDGLKCOYVVSOJI-KWCYVHTRSA-N 380.828 2.230 50 50 GEGA Cc1ccc(S(=O)(=O)CC(=O)NNC(=S)Nc2ccc(Cl)cc2)cc1 2380746 WDFKOJPZWCTUEG-UHFFFAOYSA-N 397.909 2.440 50 50 GEGA C[C@H](NC(=O)CCl)C1CCN(S(=O)(=O)c2cccc3cnccc23)CC1 1875384737 VTDHZDLLBZUEJB-ZDUSSCGKSA-N 395.912 2.379 50 50 GEGA Cc1cc(OC(C)(C)C(=O)NNC(=S)NC[C@@H]2CCCO2)ccc1Cl 6825954 QQIUNEAXCIHZJW-ZDUSSCGKSA-N 385.917 2.480 50 50 GEGA CCOc1ccc(CCNC(=S)NNC(=O)c2ccncc2)cc1OCC 2855876 ODWIWCJOEHUWBD-UHFFFAOYSA-N 388.493 2.231 50 50 GEGA Cc1cc(C)c(OCC(=O)NC2(CNC(=O)CCl)CCOCC2)c(C)c1 1875384704 VBBIDPMYERCSSU-UHFFFAOYSA-N 382.888 2.011 50 50 GEGA CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 239275140 BFXQXVKJOBQUEX-RPLLJCPNSA-N 386.448 2.033 50 50 GEGA COc1c(O)ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c1[N+](=O)[O-] 1205738 OJIQDVJXQFDAIZ-VXLYETTFSA-N 381.348 2.463 50 50 GEGA O=C(N/N=C/c1ccco1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1384081 ARLYVCKEGOCWTJ-XDHOZWIPSA-N 395.868 2.484 50 50 GEGA O=C(CNc1ccc(I)cc1)N/N=C/c1cccnc1 1226272 GZVHJHWDAJUYNE-GIJQJNRQSA-N 380.189 2.248 50 50 GEGA CC(=O)NNC(=O)CC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 4652071 QPIHARWTWQQLEA-UHFFFAOYSA-N 376.482 2.107 50 50 GEGA COc1ccc(CC(=O)N/N=C2\C(=O)N(CN3CCCC3)c3ccccc32)cc1 1211206 HCMIDUWXXCRSEV-FLFQWRMESA-N 392.459 2.158 50 50 GEGA O=C(NNC(=O)[C@H]1COCCO1)/C(=C\c1ccccc1)c1ccc(Cl)cc1 1775996498 HFXJRWDYVKUWLS-XUDLPTGHSA-N 386.835 2.443 50 50 GEGA COc1cccc(N2C[C@H](C(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)c1 1072201 DZXRIIYTTBZNAA-CYBMUJFWSA-N 387.823 2.163 50 50 GEGA CC(=O)NN1C(N)=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O 6832289 CVEVXDCUZNOPMT-KRWDZBQOSA-N 395.419 2.382 50 50 GEGA N#C/C(=C\c1c[nH]nc1-c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 17080354 XOAGKVALYQFDQN-GXDHUFHOSA-N 393.428 2.270 50 50 GEGA O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C\C=C\c1ccc2c(c1)OCO2 5030642 TVHWFQFMOWBBKN-NWBAPSLKSA-N 377.400 2.060 50 50 GEGA COc1ccc(NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1040493 WDNRDEGYOKNJSJ-UHFFFAOYSA-N 391.449 2.352 50 50 GEGA CCNC(=S)NNC(=O)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 3052085 ZLGWBPSBPLAVJZ-UHFFFAOYSA-N 398.410 2.044 50 50 GEGA Br[C@@H]1C[C@@H]2[C@H](C[C@@H](Br)C23OCCO3)C12OCCO2 169533239 KTSSPGNMSGIYQK-UTINFBMNSA-N 384.064 2.039 50 50 GEGA Cc1ccc2snc(C(=O)N3CCO[C@H]([C@@H](C)NC(=O)CCl)C3)c2c1 1875384891 YDJUGKZMLHPLPK-YPMHNXCESA-N 381.885 2.189 50 50 GEGA O=C(CCl)N[C@H]1C[C@@H](NC(=O)Cc2ccc3c(c2)COCC3)C12CCC2 1875384489 QOXDDZBRFQZCHJ-SJORKVTESA-N 376.884 2.084 50 50 GEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC)c(OC)c2OC)cc1 2543981 WJPJMNKBBKOAQZ-CIAFOILYSA-N 385.420 2.364 50 50 GEGA Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 239310034 HZNXVAJIJSQMOZ-NQMOMTLDSA-N 394.855 2.310 50 50 GEGA C=CC(=O)N1CCCc2cc(C(=O)NNC(=O)c3cc(Cl)cn3C)ccc21 2325889357 MAKMHRJDWYCFAW-UHFFFAOYSA-N 386.839 2.219 50 50 GEGA CC1(CNC(=O)CCl)CCN(C(=O)[C@]2(C)COc3ccccc3O2)CC1 1875384387 OEROSQSROKAEGL-IBGZPJMESA-N 380.872 2.200 50 50 GEGA Br[C@H]1C[C@H]2[C@H](C[C@H](Br)C23OCCO3)C12OCCO2 100661443 KTSSPGNMSGIYQK-XKNYDFJKSA-N 384.064 2.039 50 50 GEGA Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 239433310 XMTLZMQPAXCEKF-MRVWCRGKSA-N 382.844 2.454 50 50 GEGA COc1ccc([C@H]2C(C#N)=C(N)Oc3nc(C)[nH]c(=O)c32)cc1Br 875325 YXYFHCRKZDSCNC-LBPRGKRZSA-N 389.209 2.068 50 50 GEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccc(Br)cc12 705584 LANNMDGUZSJMAK-KRWDZBQOSA-N 386.205 2.370 50 50 GEGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cnccn3)cc2)cc1 4282382 OVIZZHFCFOUFSL-FSJBWODESA-N 376.372 2.468 50 50 GEGA COc1ccc(CC(=O)NNC(=O)COc2ccc(Cl)cc2)cc1OC 1230153 OYEHEWQLUXIDOF-UHFFFAOYSA-N 378.812 2.126 50 50 GEGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 2544133 SCGULQNVBYUFIZ-SSDVNMTOSA-N 383.404 2.084 50 50 GEGA C[C@H](Oc1c(Cl)cccc1Cl)C(=O)NNC(=S)NC[C@H]1CCCO1 6763134 PUAUZIYDIBGULB-VHSXEESVSA-N 392.308 2.435 50 50 GEGA Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)N(C)CC(F)(F)F)c1C 192131334 MEXCLWCZYQEHGT-CHWSQXEVSA-N 375.391 2.101 50 50 GEGA COCCOC(=O)[C@H](Cc1ccccc1)NC(=O)Oc1ccc([N+](=O)[O-])cc1 2541739 ZSOUYIBYVUBOGT-KRWDZBQOSA-N 388.376 2.484 50 50 GEGA in-vitro O=C1Nc2ccccc2/C1=N/NC(=O)c1ccccc1I 18116539 MBINUIMMVKWCPG-UHFFFAOYSA-N 391.168 2.377 50 50 GEGA N#Cc1ccc(Oc2ccc(C(=O)NNc3ccc(-n4ccnc4)nn3)cc2)nc1 804951806 ADKPJJPUWILHPQ-UHFFFAOYSA-N 398.386 2.478 50 50 GEGA NC1=NC(=O)[C@H](CC(=O)Nc2ccc(OC(F)(F)[C@H](F)Cl)cc2)S1 11859528 AULUZGPHYOACPG-KWQFWETISA-N 381.763 2.478 50 50 GEGA COc1ccccc1C(O)(C(=O)NNc1ccccn1)c1ccccc1OC 1206068 SMSNMVYAGDHYQU-UHFFFAOYSA-N 379.416 2.478 50 50 GEGA CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NNC(=O)Cc1ccccc1F 170635187 OLYNRMOMHNRYJB-UKRRQHHQSA-N 379.432 2.209 50 50 GEGA COc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 1211939 BRRUJFHWMBYBFZ-XLTHYULKSA-N 382.376 2.107 50 50 GEGA Cn1cc(C(=O)NNC(=O)c2c(F)cccc2Cl)c2c(c1=O)CCCC2 952876074 PQTWXFQJXDJHED-UHFFFAOYSA-N 377.803 2.131 50 50 GEGA CN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 4209860 ZHGWHZYQYNMVLZ-UDWIEESQSA-N 394.460 2.360 50 50 GEGA Cc1ccc(C)c(OCC(=O)NNC(=S)Nc2ccc3c(c2)OCCO3)c1 6400512 GXTUHPYAPJETEI-UHFFFAOYSA-N 387.461 2.471 50 50 GEGA O=C(N/N=C/c1cccs1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 17077254 DNTJAZGECICZCD-QCUKBLKESA-N 377.491 2.299 50 50 GEGA COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1 2860095 VQSLNVHDMYXLTA-UHFFFAOYSA-N 399.447 2.401 50 50 GEGA O=C(CSc1nc2ccccc2o1)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 25763759 HLBCXELPJMPJOE-UHFFFAOYSA-N 397.372 2.301 50 50 GEGA C=CCc1cccc(/C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)c1O 31830150 YQNRVGJCPCNMKT-JLPGSUDCSA-N 392.503 2.389 50 50 GEGA in-vitro CC(=O)N[C@H](CCC(C)C)C(=O)NC[C@@H](NC(=O)CCl)c1ccccc1 1875384712 VDSOPJNOSNYUGZ-IAGOWNOFSA-N 381.904 2.140 50 50 GEGA O=C(CCl)NCc1ccc(CNC(=O)[C@H]2COc3ccccc32)c(F)c1 1875383987 IQSAHCDFSARIMR-HNNXBMFYSA-N 376.815 2.473 50 50 GEGA COc1ccc(/C=N/NC(=O)C[C@@H]2C(=O)NN=C2C)cc1OCc1ccccc1 100567830 LDHJUEFQFJFOFM-QQZPLFJDSA-N 394.431 2.236 50 50 GEGA COCCNC(=S)NNC(=O)CSCc1ccc(Cl)cc1Cl 13519522 NSBIWSDSSWHAHV-UHFFFAOYSA-N 382.338 2.368 50 50 GEGA COc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)c1ccc(Br)o1 5060506 LSYMCNYVAXIJIG-UHFFFAOYSA-N 399.157 2.425 50 50 GEGA C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2OC)c1 2055529 DRPOACTWAOZQCY-FYJGNVAPSA-N 383.404 2.357 50 50 GEGA O=C(COc1ccc2c(c1)CCC2)NNC(=S)Nc1ccc2c(c1)OCCO2 6402638 CYQKXJDODQENKE-UHFFFAOYSA-N 399.472 2.343 50 50 GEGA O=C(CCl)NCc1ccc(CNC(=O)[C@@H]2COc3ccccc3O2)c(F)c1 1875384772 WUXNDFFZLHWKGR-KRWDZBQOSA-N 392.814 2.137 50 50 GEGA CC(=O)N(NC(=O)c1ccccc1Cl)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O 1069694 SAGKLNSSYNPQDW-QGZVFWFLSA-N 399.834 2.474 50 50 GEGA O=C(NNC(=O)c1ccncc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 1630996 WRDZXZSWMZLQAZ-UHFFFAOYSA-N 387.610 2.442 50 50 GEGA C=CC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCCCC3)C1 2325889202 FJJYVLPMNCSZKZ-CQSZACIVSA-N 375.494 2.203 50 50 GEGA Cc1ccc(S(=O)(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)cn1 225698320 JQIFRUPOCZDGEW-UHFFFAOYSA-N 384.461 2.421 50 50 GEGA O=C(N/N=C/c1ccc(I)cc1)C(=O)NC1CCCCC1 2892154 GYUUFVZPMBCUNS-LICLKQGHSA-N 399.232 2.190 50 50 GEGA CCS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2cccc(C(F)(F)F)c2)C1 13320831 DIOMPEUXQGDSBN-RNDVCUHJSA-N 391.415 2.217 50 50 GEGA Cc1cc(OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1Cl 817943 PMNFSJGVDMYHTD-INIZCTEOSA-N 376.796 2.015 50 50 GEGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2O)cc1 2544282 WLJIPIYNTFXPAP-AWQFTUOYSA-N 390.237 2.343 50 50 GEGA CCC(C(=O)N/N=C/c1ccc(OC)cc1)C(=O)N/N=C/c1ccc(OC)cc1 39959603 JITUCNDAJHTTAJ-MSKUYSOUSA-N 396.447 2.330 50 50 GEGA Cc1nc(O)c([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 101022464 WSYRITGUWSNGRJ-UHFFFAOYSA-O 387.399 2.403 50 50 GEGA CC/C(=N\NC(=O)CN1CCN(Cc2ccccc2)CC1)c1ccc(O)cc1 19879698 VSDBXRAXULZYQQ-XTQSDGFTSA-N 380.492 2.440 50 50 GEGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nc(C)cc(C)n1 5541495 BNOYHBDXPBJXKO-DJKKODMXSA-N 390.465 2.362 50 50 GEGA COCCNC(=S)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12 6951021 OEBSWCHNQNEYOL-UHFFFAOYSA-N 381.461 2.052 50 50 GEGA Nc1cc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc([N+](=O)[O-])c1 5019479 RNUHXUUNVAEMLM-UHFFFAOYSA-N 380.360 2.170 50 50 GEGA C[C@H]1Oc2ccccc2O[C@H]1C(=O)NC1(CNC(=O)CCl)CCCCC1 1875383603 AMRICPQTXSXMBE-CXAGYDPISA-N 380.872 2.389 50 50 GEGA CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc2c(c1)OCO2 4502854 DGIFHJVTLMBVEY-OAHLLOKOSA-N 384.417 2.363 50 50 GEGA C[C@@H](NC(=O)CCl)C1CCN(C(=O)C[C@@H]2COc3ccccc3O2)CC1 1875384464 QBHOJTVFRLIRRK-UKRRQHHQSA-N 380.872 2.199 50 50 GEGA Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 168124943 HZNXVAJIJSQMOZ-BFPXCNAZSA-N 394.855 2.310 50 50 GEGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc([N+](=O)[O-])c1O 12411393 LSYJDCKEUZWRIS-AWEZNQCLSA-N 385.332 2.179 50 50 GEGA COc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c(OC)c1 239439000 ZHORBVUXVBQLHV-BMTCLBQJSA-N 396.237 2.213 50 50 GEGA COc1cc(OC)c([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)cc1OC 1080079 CAXBYNNQHPTBOT-IBGZPJMESA-N 398.463 2.289 50 50 GEGA Cc1ccccc1NCC(=O)N/N=C\C=N/NC(=O)CNc1ccccc1C 4467713 RVEUKEQRGWPYIZ-CBSQCECLSA-N 380.452 2.031 50 50 GEGA NNC(=O)COc1c(Br)cc(Br)c2cccnc12 639288 KBXMNCSOWIWWKJ-UHFFFAOYSA-N 375.020 2.129 50 50 GEGA COC(=O)CC1=C(C(=O)OC)[C@H](c2ccc(OC)c(Cl)c2)C(C#N)=C(N)O1 1386746 WVCDBRGUQDUSLV-OAHLLOKOSA-N 392.795 2.146 50 50 GEGA O=C(CCl)NCc1ccc(CNC(=O)c2cccc3nonc23)c(F)c1 1875383863 GAFMSRSFOKADQR-UHFFFAOYSA-N 376.775 2.147 50 50 GEGA CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3[nH]nc(-c4ccncc4)c32)c2ccccc21 718401 MJWAIRQCUGWQJT-OAQYLSRUSA-N 384.399 2.211 50 50 GEGA C[C@@H]1CN(c2ccc(C(=O)NCCSSCCC(=O)O)cn2)C[C@@H](C)O1 1875389077 ATRURGVZNZFJFZ-CHWSQXEVSA-N 399.538 2.281 50 50 GEGA CCCOc1ccc(C=NNC(=O)c2nc3nc(C)cc(C)n3n2)cc1OC 252679616 PAISOZOKUFSTNP-UHFFFAOYSA-N 382.424 2.302 50 50 GEGA O=C(CN1C(=O)CCCc2sccc21)NNC(=O)c1ccc2ccccc2n1 170622993 JTXWECYHGYRNAW-UHFFFAOYSA-N 394.456 2.427 50 50 GEGA O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C\C=C\c1ccc2c(c1)OCO2 5030660 TVHWFQFMOWBBKN-NFUUFVJVSA-N 377.400 2.060 50 50 GEGA COc1ccc(OC)c(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)c1 4261182 LHILKEKWULBAHB-UFFVCSGVSA-N 375.812 2.237 50 50 GEGA C[C@@H](NC(=O)CCl)C1CCN(S(=O)(=O)c2cccc3cnccc23)CC1 1875384736 VTDHZDLLBZUEJB-CYBMUJFWSA-N 395.912 2.379 50 50 GEGA Br[C@H]1C[C@@H]2[C@@H](C[C@@H](Br)C23OCCO3)C12OCCO2 4473230 KTSSPGNMSGIYQK-KYXWUPHJSA-N 384.064 2.039 50 50 GEGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1cccc(O)c1 43190636 VPSRAJYVNJQBRP-DJKKODMXSA-N 376.210 2.035 50 50 GEGA CCn1cc(/C=N/NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)c2ccccc21 13320807 XQBAANPQVQKEPJ-RVZJCZPVSA-N 390.509 2.173 50 50 GEGA COc1ccc(OC)c(NC(=O)NNS(=O)(=O)c2ccc(C)cc2C)c1 15934220 MJBZPYWPVAIXGI-UHFFFAOYSA-N 379.438 2.336 50 50 GEGA O=C(CCl)N[C@H]1C[C@H](NC(=O)c2cc(F)cc3nccnc23)C12CCC2 1875383896 GPEODMKWJHOMMQ-KBPBESRZSA-N 376.819 2.165 50 50 GEGA CCOc1ccc(CC(=O)NNC(=S)Nc2ccc3c(c2)OCCO3)cc1 6393534 HZRMRKIKEUYDRF-UHFFFAOYSA-N 387.461 2.417 50 50 GEGA COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c1O 1196851 WGNUKPDLXZSQTP-VXLYETTFSA-N 381.348 2.463 50 50 GEGA COC(=O)c1ccc(CN(C[C@H]2Cc3ccccc3O2)C(=O)CCl)n1C 1875384041 KARZISDMUUBIIK-OAHLLOKOSA-N 376.840 2.383 50 50 GEGA CC(=O)NN1C(N)=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O 2542336 CVEVXDCUZNOPMT-QGZVFWFLSA-N 395.419 2.382 50 50 GEGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1c(O)c2ccccc2[nH]c1=O 6693979 BJJFWAOHPIIWOW-UFFVCSGVSA-N 397.387 2.023 50 50 GEGA O=C(COCC(=O)Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1 2968212 UCPFHENUIUIORD-UHFFFAOYSA-N 376.277 2.031 50 50 GEGA NN1C(=O)[C@]23CCCC[C@]2(C[C@@H](Br)[C@H](Br)C3)C1=O 104285271 DKZTZBGKIVQFPX-VNOQCFOKSA-N 380.080 2.097 50 50 GEGA CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCSSCCC(=O)O 1875388659 KYUZPROTGPBKOB-LLVKDONJSA-N 378.516 2.358 50 50 GEGA COc1cc(/C=N/NC(=O)[C@H](C)Cn2cc([N+](=O)[O-])cn2)ccc1OC(F)F 2785990 JHHSKIDZKXTTSM-GFKCFBEASA-N 397.338 2.188 50 50 GEGA O=C(CCl)NC1(CNC(=O)c2cnn(-c3ccccc3)n2)CCCCCC1 1875384129 LQVBVSGQETYYKC-UHFFFAOYSA-N 389.887 2.445 50 50 GEGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2O)c1 4210424 GYMHVNCLYSOMLD-AWQFTUOYSA-N 390.237 2.343 50 50 GEGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(C(=O)OC)cc2)cc1 4347274 QBHXZHSNPPCIFB-YDZHTSKRSA-N 397.431 2.142 50 50 GEGA COC(=O)[C@@]1(Cc2ccccc2)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C(=O)OC(=O)[C@@H]21 221563435 AALQLXOJVZHYOM-VWXURSGXSA-N 399.830 2.455 50 50 GEGA Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2Cc3c(ccc4ccccc34)O2)cc1 1394586 YXBKTUIUENZVFM-IBGZPJMESA-N 382.441 2.461 50 50 GEGA C/C(=N\NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1ccncc1 95849998 QMPQRWUAAPHOIE-XQNSMLJCSA-N 385.899 2.393 50 50 GEGA C/C(=N\NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc2c(c1)OCCO2 19770723 PJUYWYQKMJTVHK-XQNSMLJCSA-N 395.459 2.444 50 50 GEGA C=CC(=O)N1CCC(C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1 2325889011 ONRVMEWTNSVVCD-GFCCVEGCSA-N 375.494 2.059 50 50 GEGA Cn1cc(Br)c(C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)n1 696006 SRJVWXOICWFAMO-AYSLTRBKSA-N 385.605 2.329 50 50 GEGA COc1cccc(/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)c1 5676286 PSMZBRKRMAWINT-YBFXNURJSA-N 381.417 2.303 50 50 GEGA Cc1cccc(OCC(=O)NNC(=S)Nc2ccc3c(c2)OCCO3)c1C 6401487 CSNFSSHQFYEUJL-UHFFFAOYSA-N 387.461 2.471 50 50 GEGA CCN(CC)c1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c(O)c1 4045429 JHMFIERDMIHQNW-FYJGNVAPSA-N 393.451 2.042 50 50 GEGA COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 22064534 FAIIFDPAEUKBEP-MRXNPFEDSA-N 385.376 2.458 50 50 GEGA biogenic,world Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C(Cl)Cl)cc2)n1 1227035 HDBWTDOZNGZZNA-UHFFFAOYSA-N 375.237 2.328 50 50 GEGA C[C@@H](c1cccc(B(O)O)c1)N1CCN(CCO[Si](C)(C)C(C)(C)C)CC1 230552449 KVDYKBWWQQGIHK-KRWDZBQOSA-N 392.425 2.067 50 50 GEGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1cc2ccccc2[nH]c1=O 4229156 DDMIJQCUKOXSMO-LSHDLFTRSA-N 382.807 2.062 50 50 GEGA O=C(COc1cccc(Br)c1)N/N=C1\C(=O)Nc2ccc(F)cc21 7931262 DIJHMTNNCTUKPK-UHFFFAOYSA-N 392.184 2.440 50 50 GEGA Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 168124837 HZNXVAJIJSQMOZ-VCSATFKPSA-N 394.855 2.310 50 50 GEGA COc1cc([C@@H]2C(C#N)=C(SCC(N)=O)NC3=C2C(=O)CCC3)ccc1O 2321762 AGRZLLMHVRIAKP-QGZVFWFLSA-N 385.445 2.048 50 50 GEGA Cc1ccc(S(=O)(=O)N[C@H](CC(=O)NN)c2ccc(OC(C)C)cc2)cc1 2913602 YAGHFSQMCZQBGK-GOSISDBHSA-N 391.493 2.182 50 50 GEGA COc1cc(/C=N/NC(=O)c2ccccn2)cc(I)c1O 1216452 HNFNGVFPCDKLCY-CAOOACKPSA-N 397.172 2.164 50 50 GEGA O=C(CCNC(=O)c1ccccc1Cl)NNc1nc(-c2ccncc2)no1 1875254233 VQRLHLNHHQUJOV-UHFFFAOYSA-N 386.799 2.048 50 50 GEGA CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3[nH]nc(-c4ccncc4)c32)c2ccccc21 718400 MJWAIRQCUGWQJT-NRFANRHFSA-N 384.399 2.211 50 50 GEGA Cc1n[nH]c2c1[C@H](c1cc3c(cc1Br)OCO3)C(C#N)=C(N)O2 856160 OXORIZIKKNUUCV-CYBMUJFWSA-N 375.182 2.428 50 50 GEGA CCOc1ccccc1NC(=O)NCC(=O)N/N=C/c1ccc(NC(C)=O)cc1 2141435 GESSLWNGACTOLX-WSDLNYQXSA-N 397.435 2.316 50 50 GEGA COc1cc(Cl)cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)c1O 16677599 IPLGLQKRLDNVOE-RNGJLIOKSA-N 387.823 2.034 50 50 GEGA COc1ccc(CCNC(=S)NNC(=O)c2sccc2C)cc1OC 13323887 LKJRSCMSMHPCSX-UHFFFAOYSA-N 379.507 2.425 50 50 GEGA Cc1ccccc1C(=O)NNC(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1 5165019 QCONFFQHNLGFQP-UHFFFAOYSA-N 394.456 2.299 50 50 GEGA C[C@@]1(Br)C[C@@H]1C(=O)NCc1ccc(CCNC(=O)CCl)cc1 1875326731 IPHONLSTLKJBAX-CZUORRHYSA-N 387.705 2.374 50 50 GEGA Br[C@@H]1C[C@@H]2[C@@H](C[C@@H](Br)C23OCCO3)C12OCCO2 169533227 KTSSPGNMSGIYQK-ZYUZMQFOSA-N 384.064 2.039 50 50 GEGA CCOc1cc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)ccc1O 2544411 SNTVBVOAVZRGEU-UFFVCSGVSA-N 375.812 2.324 50 50 GEGA N#C/C(=C\c1ccc(-c2ccccc2C(=O)O)o1)c1nn(CCO)c(N)c1C#N 5050405 VJKYHFWVNCVWJA-FMIVXFBMSA-N 389.371 2.352 50 50 GEGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 2543943 HHSUUYYRWUIIQT-CIAFOILYSA-N 384.392 2.264 50 50 GEGA O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\C=C\c1ccc2c(c1)OCO2 5030649 TVHWFQFMOWBBKN-AFGFQLPQSA-N 377.400 2.060 50 50 GEGA COc1ccc(C(=O)N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC 36288240 ZMWYUDSRNRLOIJ-GIJQJNRQSA-N 375.337 2.090 50 50 GEGA COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(Br)c1O 1214355 QXRXWBOKMLECCM-RMNBPEERSA-N 379.210 2.347 50 50 GEGA C[C@]1(Br)C[C@H]1C(=O)NCc1ccc(CCNC(=O)CCl)cc1 1875326727 IPHONLSTLKJBAX-BBRMVZONSA-N 387.705 2.374 50 50 GEGA O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1nnc(-c2ccccc2)s1 4210952 GHHLMEAZPQQOSS-DJKKODMXSA-N 395.400 2.023 50 50 GEGA COc1cccnc1CC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 225501535 KGFSTMBIQWYNJL-CQSZACIVSA-N 379.416 2.401 50 50 GEGA CN(C)c1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 20101398 BLSXTOICUDKZNR-XQNSMLJCSA-N 379.508 2.021 50 50 GEGA COc1ccc(C(=O)NCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 2532844 PYMINXGZYSPKIG-FSJBWODESA-N 377.400 2.434 50 50 GEGA CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1O 2903058 LTESGTJWPHTDEO-SRZZPIQSSA-N 375.812 2.211 50 50 GEGA CN(C)N1C(N)=C(C#N)[C@@]2(C(=O)Nc3ccccc32)C2=C1CC(C)(C)CC2=O 4742275 LFGUHWCVEJWHGN-OAQYLSRUSA-N 377.448 2.006 50 50 GEGA C=CCN1C(=O)/C(=N\NC(=O)c2cc(C)n[nH]2)c2cc(Br)ccc21 18105794 RKOODGFLKSFBGL-ZHZULCJRSA-N 388.225 2.147 50 50 GEGA Cc1ccc(S(=O)(=O)NNC(=O)COc2ccc(Br)cc2)cc1 937129 KMSOMWLLAPTLLR-UHFFFAOYSA-N 399.266 2.146 50 50 GEGA CN1C(=C(C#N)C(=O)Cn2ccnc2[C@H](O)c2ccco2)N(C)c2ccccc21 170605454 XLWBDDBYPIRAPU-LJQANCHMSA-N 389.415 2.448 50 50 GEGA COc1cccc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)c1O 4210286 AFDUQFCJJCPICE-UFFVCSGVSA-N 398.444 2.302 50 50 GEGA COCc1cc(C)nc(OCC(=O)N/N=C/c2c[nH]c3ccccc23)c1C#N 8643730 XBTJFZXYJWBQBE-AUEPDCJTSA-N 377.404 2.419 50 50 GEGA O=C(Cn1c(=O)sc2ccccc21)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104155544 WXOMUTHYGPWJKS-UHFFFAOYSA-N 375.318 2.485 50 50 GEGA CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 239275139 BFXQXVKJOBQUEX-DSIZOQBWSA-N 386.448 2.033 50 50 GEGA COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)ccc1O 1427042 VHXNALBFUQALKA-KRWDZBQOSA-N 375.384 2.471 50 50 GEGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 4354474 OCGKFRRVDJKGJP-GIJQJNRQSA-N 376.756 2.346 50 50 GEGA CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)cc3F)[C@@H]2C1 819610 QJLPMZJGRMQJAB-AEFFLSMTSA-N 379.370 2.237 50 50 GEGA O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C\C=C\c1ccc2c(c1)OCO2 5030638 TVHWFQFMOWBBKN-XWOIBZSQSA-N 377.400 2.060 50 50 GEGA COc1cc(NC(=O)C(=O)NNC(=O)C2CCCCC2)c(OC)cc1Cl 5101637 SVAXVTUFKPNMGL-UHFFFAOYSA-N 383.832 2.023 50 50 GEGA CC(C)[C@@H](CCN(C)C(=O)c1nn2cccnc2c1Cl)NC(=O)CCl 1875384539 SEAINAYAMXCISK-LLVKDONJSA-N 386.283 2.224 50 50 GEGA CC(C)(C)OC(=O)CCOCCOCCOCCOCCBr 83254096 WLKHUFASPMJBHB-UHFFFAOYSA-N 385.295 2.180 50 50 GEGA O=C(CCl)N[C@@H](CNC(=O)c1cnn(-c2ccccc2)n1)c1ccccc1 1875384274 NRQSPONAKJOMTP-INIZCTEOSA-N 383.839 2.093 50 50 GEGA COc1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)c1 1072200 DZXRIIYTTBZNAA-ZDUSSCGKSA-N 387.823 2.163 50 50 GEGA O=C(CCl)N[C@H]1C[C@@H](NC(=O)c2cc(F)cc3nccnc23)C12CCC2 1875383898 GPEODMKWJHOMMQ-UONOGXRCSA-N 376.819 2.165 50 50 GEGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1Cl 38182385 RVZNVRIBTBIPLH-QGMBQPNBSA-N 376.756 2.351 50 50 GEGA CN(C)/C=N/S(=O)(=O)c1cc(C(=O)NN(C)c2ccccc2)ccc1Cl 5668078 ZCEOQDCWFRCPPS-XDHOZWIPSA-N 394.884 2.400 50 50 GEGA O=C(CCl)NCc1ccc(CNC(=O)[C@@H]2CC[C@H](C(F)(F)F)O2)c(F)c1 1875383539 YGXVUBPGBWBCAZ-QWHCGFSZSA-N 396.768 2.407 50 50 GEGA COc1cccc([C@H]2C(C#N)=C(N)N(c3ncn[nH]3)C3=C2C(=O)CCC3)c1OC 6794191 PZKPJLURCAKCCI-INIZCTEOSA-N 392.419 2.127 50 50 GEGA CCOc1ccccc1/C=N/NC(=O)CN1CCN(Cc2ccccc2)CC1 20129868 ATMJFXIYPCKNBN-XQNSMLJCSA-N 380.492 2.353 50 50 GEGA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NNC(=O)c2cccc(Cl)n2)CC1=O 2325895315 XAPYFNZEZPSOPR-OCCSQVGLSA-N 386.839 2.106 50 50 GEGA Cc1cc(OCC(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc(C)c1Cl 138686233 ZPMYSLVNAALTSX-YXAMBPQSSA-N 394.855 2.230 50 50 GEGA COC(=O)c1c(NC(=S)NNC(=O)c2cccnc2)sc2c1CCC2 2858814 OCYNOEWOMJJXDC-UHFFFAOYSA-N 376.463 2.050 50 50 GEGA Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 239135365 LDGLKCOYVVSOJI-MRVWCRGKSA-N 380.828 2.230 50 50 GEGA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NC1(CNC(=O)CCl)CCCCC1 1875383605 AMRICPQTXSXMBE-GUYCJALGSA-N 380.872 2.389 50 50 GEGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(OC)ccc3OC)[C@H]2C1 968868 IAGPQFQWPZXHST-ICSRJNTNSA-N 389.459 2.449 50 50 GEGA Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/NC(=O)c3ccco3)o2)cc1 817060 RZOFEFGPYMDOKO-YBFXNURJSA-N 387.417 2.423 50 50 GEGA O=C(CCl)NCCC1CCN(C(=O)[C@@]2(c3ccccc3)CCOC2)CC1 1875384218 MJDQRQYJBPDYLE-FQEVSTJZSA-N 378.900 2.328 50 50 GEGA Cc1ccc(C(=O)NCCN(Cc2nn(C)cc2C)C(=O)CCl)cc1F 1875376498 ZAVWDPATBAYBJR-UHFFFAOYSA-N 380.851 2.173 50 50 GEGA COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c1O 2571784 SVCJPWIBYDJGIW-GIJQJNRQSA-N 392.209 2.252 50 50 GEGA CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NNC(=O)Cc1ccccc1F 170635184 OLYNRMOMHNRYJB-DZGCQCFKSA-N 379.432 2.209 50 50 GEGA COc1cc(C=NNC(=O)c2cc(O)nc3ccccc23)c(O)c([N+](=O)[O-])c1 252679414 MACLGDAFPGOGFF-UHFFFAOYSA-N 382.332 2.327 50 50 GEGA COc1ccc(O)c(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c1 2379944 MSFVQYNHUDKSRM-GIJQJNRQSA-N 392.209 2.252 50 50 GEGA COc1ccc(/C=N/NC(=O)c2c(Br)c(C)nn2C)c(OC)c1 673323 RPFXXHDZNQLUQT-CAOOACKPSA-N 381.230 2.272 50 50 GEGA N#Cc1c(NC(=O)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 4209580 RKGYKCDSQMGQER-KEBDBYFISA-N 397.416 2.496 50 50 GEGA COc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2O)c1 2379953 APWWJEHFIKNGCK-GIJQJNRQSA-N 392.209 2.252 50 50 GEGA COc1ccccc1/C=N/NC(=O)C(=O)Nc1nnc(-c2ccccc2)s1 4210440 QRNWCEDSXYSELX-YBFXNURJSA-N 381.417 2.303 50 50 GEGA C=CC(=O)N1CCC(C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)CC1 2325889012 ONRVMEWTNSVVCD-LBPRGKRZSA-N 375.494 2.059 50 50 GEGA O=C(CCl)N[C@H]1C[C@H](NC(=O)c2cn(C3CCCCC3)nn2)C12CCC2 1875383834 FPRAOCXPNMPCIH-GJZGRUSLSA-N 379.892 2.179 50 50 GEGA COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1 2556543 NBDDNYQRWHNTOO-ZDUSSCGKSA-N 382.369 2.347 50 50 GEGA in-vitro O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)C(=O)Nc1ccc(C(F)(F)F)cc1 2742834 DZIJBWOIXYIAPV-DNTJNYDQSA-N 396.281 2.408 50 50 GEGA O=C(N/N=C/c1ccco1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 4230235 WAGIQMPYXMLUBA-FYJGNVAPSA-N 382.420 2.431 50 50 GEGA COc1cc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)cc(OC)c1OC(C)=O 946168 HYCGQOKJJLGYME-KEBDBYFISA-N 388.424 2.052 50 50 GEGA O=C(N/N=C/c1cccnc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 4261263 JNEUYSFNCWIPQQ-OEAKJJBVSA-N 393.447 2.233 50 50 GEGA COc1cc(C(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc(OC)c1OC 4229192 DLKDETYTSKWDIO-SRZZPIQSSA-N 381.388 2.318 50 50 GEGA COc1cccc(NC(=O)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c1 4355551 STFMGTDVFIPVSQ-GIJQJNRQSA-N 376.756 2.346 50 50 GEGA O=C(NNc1nc(-c2ccncc2)no1)c1ccc(=O)n(-c2cccc(F)c2)c1 751367106 HDDAJUIGVCETAZ-UHFFFAOYSA-N 392.350 2.179 50 50 GEGA Cc1[nH]nc2c1C1(CCN(C(=O)OCc3ccccc3)CC1)C(C#N)=C(N)O2 6507101 ZNWMJJGJIRAOLM-UHFFFAOYSA-N 379.420 2.475 50 50 GEGA C=C(C)C(=O)OCCOC(=O)NCCC[Si](OCC)(OCC)OCC 170025027 HBFXZOMNDOKZCW-UHFFFAOYSA-N 377.510 2.270 50 50 GEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccc(Br)cc12 705583 LANNMDGUZSJMAK-QGZVFWFLSA-N 386.205 2.370 50 50 GEGA N#Cc1c(NC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])sc2c1CCCC2 4229754 PUOAJDZGVNGDOY-KEBDBYFISA-N 397.416 2.496 50 50 GEGA O=C(CCCCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O 1681390 JLZRXDKIRXEOIZ-JFMUQQRKSA-N 382.420 2.259 50 50 GEGA COc1ccc(S(=O)(=O)NNC(=O)c2sccc2-n2cccc2)cc1 5917539 NNOFYAAIZIYLMX-UHFFFAOYSA-N 377.447 2.171 50 50 GEGA N#CCC(=O)N/N=C(/c1nc2ccc(Cl)cc2nc1O)[C@@H](O)c1ccccc1 5398799 DVQSGQNDZUYWDE-SAHIIKMKSA-N 395.806 2.456 50 50 GEGA COC(=O)NNC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O 277400428 YIEFIPHWAJPNMZ-BJMVGYQFSA-N 392.408 2.036 50 50 GEGA COc1ccc(C2=NO[C@@H]3[C@H]4CO[C@@H](O4)/C(=N\NC(=O)c4ccsc4)[C@H]23)cc1 824659954 WLPRYIDFGAYGMT-FZEAMSAASA-N 399.428 2.017 50 50 GEGA N#CC1=C(N)Oc2cc(N)ccc2[C@@]12C(=O)Nc1ccc(Br)cc12 753152 WVVURRWLGQOMBD-KRWDZBQOSA-N 383.205 2.356 50 50 GEGA Cc1nn(CCC(=O)NNC(=S)Nc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] 8685698 TWSOIEQCVJKGMR-UHFFFAOYSA-N 396.860 2.469 50 50 GEGA C/C(=C(\CCO)SSC[C@@H]1CCCO1)N(C=O)Cc1cnc(C)nc1N 2031043 JTLXCMOFVBXEKD-JORMNFRLSA-N 398.554 2.500 50 50 GEGA in-man C[C@H](C(=O)C(Br)Br)N1C(=O)c2ccccc2C1=O 950733945 IDPAFQPINBFLQW-ZCFIWIBFSA-N 375.016 2.356 50 50 GEGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1ccc(Br)cc1 4357471 NTDCKUKELXTORU-UHFFFAOYSA-N 389.165 2.444 50 50 GEGA N#CC(NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1)=C(Cl)Cl 1857800252 AMGHYKWXSDLPBQ-UHFFFAOYSA-N 378.237 2.354 50 50 GEGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2Cl)cc1OC 1877293 QJPUKNGSSZPLEB-UFFVCSGVSA-N 375.812 2.237 50 50 GEGA O=C(CCCCC(=O)NN=Cc1ccc(O)cc1)NN=Cc1ccc(O)cc1 11341962 LUEZLPXNMIUXOW-UHFFFAOYSA-N 382.420 2.259 50 50 GEGA CCOc1ccc(CC(=O)NNC(=S)NCc2ccco2)cc1OCC 5063081 FOOIRPQHSGWSFE-UHFFFAOYSA-N 377.466 2.315 50 50 GEGA Cc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1[N+](=O)[O-] 239165144 NOGGKUKOQSFSLZ-ZZWKFIDSSA-N 395.209 2.413 50 50 GEGA Cc1n[nH]c2c1[C@@H](c1cc3c(cc1Br)OCO3)C(C#N)=C(N)O2 856161 OXORIZIKKNUUCV-ZDUSSCGKSA-N 375.182 2.428 50 50 GEGA CN(NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 5315917 AEFUUWYBHRSZOQ-UHFFFAOYSA-N 388.771 2.231 50 50 GEGA Cn1nccc1/C=N/NC(=O)c1ccc(Cn2cc(Br)cn2)cc1 1005611 WMFSFHHCVMVPGC-GIJQJNRQSA-N 387.241 2.191 50 50 GEGA C/C(=N\NC(=O)COc1ccccc1C)c1cccc(NS(C)(=O)=O)c1 17076794 QLSXASJXZKPSBG-XMHGGMMESA-N 375.450 2.286 50 50 GEGA Cc1cccc(NC(=O)NNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 2156215 XVKRGRPNASISDP-UHFFFAOYSA-N 391.771 2.348 50 50 GEGA COc1ccc(/C(C)=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 19774871 PIVUOCJMIYGSIK-NKFKGCMQSA-N 380.492 2.353 50 50 GEGA COC(=O)[C@]1(Cc2ccccc2)N[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)OC(=O)[C@@H]21 221563596 AALQLXOJVZHYOM-BZLDKRAPSA-N 399.830 2.455 50 50 GEGA N#Cc1ccc(NNC(=O)c2ccc(CS(N)(=O)=O)cc2)c(C(F)(F)F)c1 799751638 QRYUZLLREAEKHV-UHFFFAOYSA-N 398.366 2.122 50 50 GEGA CN(C)Cc1ccc(C(=O)NNC(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)cc1 1875278234 KKWOUXDITJWRTD-HSALFYBXSA-N 378.476 2.421 50 50 GEGA CCOC(=O)c1ccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)cc1 2858034 BPNCSOYTMQUZSK-UHFFFAOYSA-N 387.417 2.223 50 50 GEGA COc1cc(/C=N/NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)ccc1O 8566249 SXTRSZVLUYBCLN-VXLYETTFSA-N 381.348 2.463 50 50 GEGA OB(O)c1cccc(Br)c1OCc1cccc(Br)c1 169747503 JWOHGYXQGYSJMX-UHFFFAOYSA-N 385.848 2.470 50 50 GEGA Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NN)c2ccc(OC(C)C)cc2)cc1 2913600 YAGHFSQMCZQBGK-SFHVURJKSA-N 391.493 2.182 50 50 GEGA COc1ccc(/C=N/NC(=O)C[C@H]2C(=O)NN=C2C)cc1OCc1ccccc1 100567829 LDHJUEFQFJFOFM-ORWNMUSCSA-N 394.431 2.236 50 50 GEGA Cc1nc(CC(=O)N2CC[C@H](C(F)(F)F)[C@H](NC(=O)CCl)C2)c(C)s1 1875383839 FQDPZDDIZQMGIS-CMPLNLGQSA-N 397.850 2.437 50 50 GEGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1nnc(-c2ccccc2)s1 4209817 STCMCGOXMNNZOS-VCHYOVAHSA-N 396.388 2.202 50 50 GEGA COc1cc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)ccc1OC(C)C 1440815 PVTADMTUWXIBHN-QGZVFWFLSA-N 384.388 2.146 50 50 GEGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 18120331 GJDWSZICTINLQQ-DJKKODMXSA-N 379.332 2.478 50 50 GEGA C=CCn1c(=O)c(C(=O)N/N=C/c2ccc(O)c(OC)c2)c(O)c2ccccc21 100892671 ZWXRVCWPBFPRQZ-WSDLNYQXSA-N 393.399 2.371 50 50 GEGA O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)c1cccs1 239287355 CQPJBPJMOHKODA-AJCKKNKHSA-N 385.235 2.045 50 50 GEGA CCC[C@H](Br)C(=O)NCCNC(=O)[C@H](Br)CCC 100911590 WHYQTNAIPWZKOK-AOOOYVTPSA-N 386.128 2.346 50 50 GEGA CCS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)C1 13321195 NRVJJAFZJWMEEU-UOEVCUDDSA-N 379.526 2.496 50 50 GEGA CC1(C)CC(C(=O)N2CCC(CNC(=O)CCl)(c3ccccc3)CC2)=NO1 1875384242 MWJOBMBLWLFIEM-UHFFFAOYSA-N 391.899 2.457 50 50 GEGA C[C@H](c1ccc(B(O)O)cc1)N1CCN(CCO[Si](C)(C)C(C)(C)C)CC1 230542595 RVBPTWIBJKUQSF-QGZVFWFLSA-N 392.425 2.067 50 50 GEGA COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC1CCCCC1 2892419 ITKLYKSIZRUAAN-VCHYOVAHSA-N 382.258 2.357 50 50 GEGA COc1ccc(OC)c([C@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CCC3)c1 5432861 BKSURBQKDDJGDG-KRWDZBQOSA-N 392.419 2.127 50 50 GEGA O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1csc2c1CCCC2 6829139 CNIWTYZRJIEWDL-UHFFFAOYSA-N 381.435 2.158 50 50 GEGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccc2c(c1)OCO2 25504621 OEYJRTQNFMLDMF-FOKLQQMPSA-N 375.384 2.449 50 50 GEGA O=C(N=c1[nH]oc2c1CCCCC2)NNC(=O)c1cc(-c2ccccc2)[nH]n1 1875319648 MDUXJOQEVKDVRS-UHFFFAOYSA-N 380.408 2.222 50 50 GEGA CC(C)Oc1cnc(C(=O)NCC2(NC(=O)CCl)CCCCCC2)cn1 1875384459 QASIBJDEUJVCPL-UHFFFAOYSA-N 382.892 2.442 50 50 GEGA O=C(N/N=C/c1ccc(O)cc1O)c1ccc(I)cc1 1513767 WDHCOQNIAKASCJ-LZYBPNLTSA-N 382.157 2.466 50 50 GEGA O=C(CSc1nnc(-c2ccncc2)s1)NNC(=O)c1cccs1 4744666 GRVYXJINEGPDKY-UHFFFAOYSA-N 377.476 2.215 50 50 GEGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(CN2CCOCC2)c(C)s1 19931975 XFZHPBIASHTCDM-KRWDZBQOSA-N 389.477 2.143 50 50 GEGA CC(C)(C)[Si](C)(C)OCCOCCOCCOCCOS(C)(=O)=O 170177139 XIXZNYPQTBSZSS-UHFFFAOYSA-N 386.583 2.034 50 50 GEGA Cc1cccc(-c2noc(C(=O)N/N=c3\oc4ccccc4cc3C(N)=O)n2)c1 1775973547 UKJVNGQEFMSEDC-CLCOLTQESA-N 389.371 2.136 50 50 GEGA COc1ccc(N([C@H](C)C(=O)N/N=C/c2cccs2)S(C)(=O)=O)cc1 2907183 WEIXWSNTJGHZMJ-PBSOMRJOSA-N 381.479 2.062 50 50 GEGA Cc1ccc(S[C@@H](C)C(=O)NCC2(NC(=O)CCl)CCOCC2)cc1 1875384521 RPLIPCLGNMRNTE-AWEZNQCLSA-N 384.929 2.496 50 50 GEGA Cc1cccc(-c2nnc(SCC(=O)NN)n2-c2ccccc2)c1[N+](=O)[O-] 2933121 SCJSZNFHQDICIH-UHFFFAOYSA-N 384.421 2.233 50 50 GEGA O=C(CCl)N[C@@H]1C[C@H](NC(=O)c2cn(C3CCCCC3)nn2)C12CCC2 1875383832 FPRAOCXPNMPCIH-CABCVRRESA-N 379.892 2.179 50 50 GEGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1cc(Br)ccc1O 2553050 DIDJNBUCLZXRLG-AWQFTUOYSA-N 390.237 2.343 50 50 GEGA CN1C(=O)/C(=N/NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)c2ccccc21 5648822 VGUDKKKYEUZCED-YFJJEWJYSA-N 387.395 2.477 50 50 GEGA CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)NNC(=O)Cc1ccccc1F 170635190 OLYNRMOMHNRYJB-HIFRSBDPSA-N 379.432 2.209 50 50 GEGA COc1ccc(S(=O)(=O)NNC(=O)c2cccc(Br)c2)cc1 1230013 AVAGWXCWURWBLC-UHFFFAOYSA-N 385.239 2.081 50 50 GEGA C[C@@H](NC(=O)CCl)C1CCN(C(=O)[C@@]2(C)OCCc3ccccc32)CC1 1875383773 DSMCDHNBDOOROX-VLIAUNLRSA-N 378.900 2.457 50 50 GEGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1COc2ccccc2O1 3191956 XUPXCWHFMXAWGV-SOQIOHJVSA-N 393.302 2.486 50 50 GEGA NNC(=O)CN1C(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 835874 VSOAUHZDUJKYCM-OAHLLOKOSA-N 375.226 2.376 50 50 GEGA CCOc1ccc(NC(=O)CCC(=O)NNC(=O)NC2CCCCC2)cc1 5064617 OAWYBRABXZWFTP-UHFFFAOYSA-N 376.457 2.467 50 50 GEGA O=C(COc1c(Cl)cccc1Cl)NNC(=S)NC[C@H]1CCCO1 6861733 DGUGGBMZDXWXGZ-SECBINFHSA-N 378.281 2.047 50 50 GEGA CCOC(=O)CN1C(=O)/C(=N\NC(=O)Cc2ccc(Cl)cc2)c2ccccc21 6871870 JUSFSUXXBGULHT-NMWGTECJSA-N 399.834 2.313 50 50 GEGA Cc1c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cccc1-c1ccccn1 121668428 AXXDFDJGSFGGJB-UHFFFAOYSA-N 399.414 2.108 50 50 GEGA Cc1cc(OCC(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc(C)c1Cl 941970 ZSJPUFWHNBMYRG-UONOGXRCSA-N 382.844 2.374 50 50 GEGA Nc1nonc1C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 1231429 BAAVMOWUIQIJND-REZTVBANSA-N 376.170 2.438 50 50 GEGA O=C(N/N=C/c1cccc(O)c1O)c1ccccc1I 1227266 LZDRYEFYSJNFNK-LZYBPNLTSA-N 382.157 2.466 50 50 GEGA C/C(=C(\CCO)SSC[C@H]1CCCO1)N(C=O)Cc1cnc(C)nc1N 2031040 JTLXCMOFVBXEKD-WMJYUBJYSA-N 398.554 2.500 50 50 GEGA in-man O=C(O)COc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2[nH]1 1197155 XOXWWBLFCTYVQG-DJKKODMXSA-N 384.417 2.269 50 50 GEGA N#CC1=C(N)N(c2cccc(F)c2)C2=C(C(=O)OC2)[C@@]12C(=O)Nc1ccccc12 4624384 AVBLYRAIKPWHHY-NRFANRHFSA-N 388.358 2.041 50 50 GEGA C[C@@H](NC(=O)CCl)c1ccc(CNC(=O)c2ccccc2-n2cnnn2)cc1 1875384028 JNAFEAPENPGMKX-CYBMUJFWSA-N 398.854 2.008 50 50 GEGA COc1ccc(OC)c(/C=N/NC(=O)N/N=C/c2cc(OC)ccc2OC)c1 1040446 FHPVENDOKRWPGG-HGEIODPWSA-N 386.408 2.388 50 50 GEGA COc1ccc(OC)c(NC(=O)NNC(=O)COc2ccc(F)cc2F)c1 2852830 DUIRPHPDXXHAKH-UHFFFAOYSA-N 381.335 2.214 50 50 GEGA NC1=NC(=O)[C@@H](CC(=O)Nc2ccc(OC(F)(F)[C@H](F)Cl)cc2)S1 33458237 AULUZGPHYOACPG-KCJUWKMLSA-N 381.763 2.478 50 50 GEGA CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=S)Nc2ccc(F)cc2)C1 225554397 KPIIODPQLBFJDY-CHWSQXEVSA-N 380.489 2.428 50 50 GEGA O=C(NNC(=S)NC[C@@H]1CCCO1)c1cc(Br)ccc1Cl 2857226 HPLPBBNDBCKXDZ-VIFPVBQESA-N 392.706 2.390 50 50 GEGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 6203949 LJARVOUFIXTFER-YDZHTSKRSA-N 399.447 2.460 50 50 GEGA Cc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1[N+](=O)[O-] 239165142 NOGGKUKOQSFSLZ-IFLCCBJRSA-N 395.209 2.413 50 50 GEGA O=C(CCl)N[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)OCCCO3)C12CCC2 1875384786 XLHQSABEGFLYIB-CVEARBPZSA-N 378.856 2.244 50 50 GEGA Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NNC(=O)C(C)C)cc1 749837674 JFNQXQMCTFPEFZ-UHFFFAOYSA-N 381.479 2.274 50 50 GEGA COc1ccccc1/C=N/NC(=O)CNC(=O)c1cccc(Br)c1 2553044 MRXSMZUOGXVVEG-KEBDBYFISA-N 390.237 2.338 50 50 GEGA CC(=O)NCc1cccc(C(=O)NC2(CNC(=O)CCl)CCCCC2)c1 1875384507 RIIIZEIGHAGTQU-UHFFFAOYSA-N 379.888 2.110 50 50 GEGA CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O1 1206417 DSBUPDGXBBZTIR-QGZVFWFLSA-N 386.404 2.273 50 50 GEGA O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)c1cccs1 239287357 CQPJBPJMOHKODA-BOKPKCGUSA-N 385.235 2.045 50 50 GEGA CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O1 680176 ZXPHXYPZZIXRSA-KRWDZBQOSA-N 386.404 2.273 50 50 GEGA O=C(CCl)N(CCOc1ccc2c(c1)OCO2)Cc1cnn2c1CCC2 1875384708 VCKKMUMHRBUYKL-UHFFFAOYSA-N 377.828 2.204 50 50 GEGA C/C(=C(/CCO)SSC[C@H]1CCCO1)N(C=O)Cc1cnc(C)nc1N 2031038 JTLXCMOFVBXEKD-XYGUXCPDSA-N 398.554 2.500 50 50 GEGA world CN1C(=C(C#N)C(=O)Cn2ccnc2[C@@H](O)c2ccco2)N(C)c2ccccc21 170605455 XLWBDDBYPIRAPU-IBGZPJMESA-N 389.415 2.448 50 50 GEGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@]21C(=O)Nc2ccc(C)cc21 4751943 DUCVYWDFOTXGEU-IBGZPJMESA-N 381.413 2.476 50 50 GEGA CC(=O)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C 196131946 MAVGGYGNBUMLLC-RRFJBIMHSA-N 398.532 2.086 50 50 GEGA CCc1n[nH]c2c1[C@@H](c1cc(OC)c(OC(C)=O)c(OC)c1)C(C#N)=C(N)O2 709682 UHFPGVXPBHGROD-HNNXBMFYSA-N 384.392 2.133 50 50 GEGA O=C(CCl)NC1(CNC(=O)c2ccccc2-n2ccnn2)CCCCCC1 1875384286 NUSJAKXZNFKTGV-UHFFFAOYSA-N 389.887 2.445 50 50 GEGA Cc1ccc(OCC(=O)NNC(=S)NCCc2ccccc2)c([N+](=O)[O-])c1 2851833 QEFUORPHIUKEGI-UHFFFAOYSA-N 388.449 2.020 50 50 GEGA COC(=O)c1c(NC(=S)NNC(=O)c2cccnc2)sc2c1CCCC2 2853228 FAIXMLZHLSAGGY-UHFFFAOYSA-N 390.490 2.440 50 50 GEGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 4189142 LLYCONRSKNIDAA-LJQANCHMSA-N 380.360 2.152 50 50 GEGA Cc1ccc(C(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 239159565 MJBJYWBCPDXASC-YTKNBERCSA-N 393.233 2.292 50 50 GEGA COc1cc(/C=N/NC(=O)[C@@H](C)Cn2cc([N+](=O)[O-])cn2)ccc1OC(F)F 2785988 JHHSKIDZKXTTSM-PODRTGRWSA-N 397.338 2.188 50 50 GEGA CCOC(=O)CCC(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 2853074 DMGBFZQWVSYMHC-UHFFFAOYSA-N 383.404 2.043 50 50 GEGA CCc1c(C)sc(NC(=S)NNC(=O)c2cccnc2)c1C(=O)OC 2854047 KJIJJHCVXDQWJV-UHFFFAOYSA-N 378.479 2.432 50 50 GEGA COc1cc(/C=N/NC(=O)c2ccc(O)c(O)c2)cc(Br)c1O 682760 NWHTYQDCZAIBLJ-REZTVBANSA-N 381.182 2.338 50 50 GEGA O=C(NNC(=O)[C@H]1CCCS1)c1cc(Cl)nn1-c1ncccc1Cl 1875294291 QJBBPIHFNHNZKU-SNVBAGLBSA-N 386.264 2.231 50 50 GEGA CCOC(=O)C1CCN(c2ncc(/C=N/NC(=O)c3ccncc3)s2)CC1 1406004 KFUIHFAOGLEHPX-CIAFOILYSA-N 387.465 2.082 50 50 GEGA COc1ccc(OC)c(/C=N\NC(=O)C(=O)NCc2ccccc2Cl)c1 16133897 CBKTUBSWRVIYIJ-NHDPSOOVSA-N 375.812 2.124 50 50 GEGA C[C@H](NC(=O)CCl)C1CCN(C(=O)C[C@@H]2COc3ccccc3O2)CC1 1875384462 QBHOJTVFRLIRRK-DZGCQCFKSA-N 380.872 2.199 50 50 GEGA CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)NNC(=O)Cc1ccccc1F 170635186 OLYNRMOMHNRYJB-ZFWWWQNUSA-N 379.432 2.209 50 50 GEGA C[C@@H]1CCc2c(C(=O)NNC(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)csc2C1 239339196 LUZCIXHYHVKNFA-AQQMGXQTSA-N 376.478 2.381 50 50 GEGA Cc1cc(OCC(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc(C)c1Cl 941972 ZSJPUFWHNBMYRG-KBPBESRZSA-N 382.844 2.374 50 50 GEGA CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=S)Nc2ccc(F)cc2)C1 225554364 KPIIODPQLBFJDY-QWHCGFSZSA-N 380.489 2.428 50 50 GEGA Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 239433309 XMTLZMQPAXCEKF-KWCYVHTRSA-N 382.844 2.454 50 50 GEGA Cc1ncc2c(n1)CC[C@H](C(=O)NC1(CNC(=O)CCl)CCCCC1)C2 1875383935 HKDMCHKDJDXSMI-AWEZNQCLSA-N 378.904 2.064 50 50 GEGA O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)[C@H]1COc2ccccc2O1 16309823 VHOFBTQVXLQYOJ-LLVIWDJBSA-N 377.740 2.244 50 50 GEGA Cc1ccc(NCC(=O)N/N=C\C=N/NC(=O)CNc2ccc(C)cc2)cc1 96430099 DNHYETGVGQDQCY-CBSQCECLSA-N 380.452 2.031 50 50 GEGA COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C/c1ccc(N(C)C)cc1 2896706 QIHVYOLSWWTZTL-ZQUUHJABSA-N 380.448 2.041 50 50 GEGA COc1nsc(CN(CCC(=O)N2CCCC2)C(=O)CCl)c1Cl 1875384236 MUYGTHARVCYMRF-UHFFFAOYSA-N 380.297 2.385 50 50 GEGA Cc1cc(C)nc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)n1 5010305 MGWBTJGVHRCXTM-PFHXIJNMSA-N 388.449 2.188 50 50 GEGA O=C(CCl)N[C@H]1C[C@@H](NC(=O)c2cnn(CCC(F)(F)F)c2)C12CCC2 1875383629 AXWOHNKFINMMGD-NWDGAFQWSA-N 392.809 2.232 50 50 GEGA O=C(CCl)NCC1(c2ccccc2)CCN(C(=O)[C@@]23CC[C@@H](C2)OC3)CC1 1875384409 OKPBVMRALHKRFT-UWJYYQICSA-N 390.911 2.471 50 50 GEGA CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)CNC(=O)C1CCCCC1 5050373 CEYIUHFHAZMDTR-HNNXBMFYSA-N 389.496 2.423 50 50 GEGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccc3c(c2)OCO3)[nH]n1 13635847 GNTSXXRUBIWCAK-DJKKODMXSA-N 379.332 2.478 50 50 GEGA O=C(N/N=C1\CC[C@H](C(=O)O)c2ccccc21)c1nnc(O)c2ccccc12 1875253967 FFHMIQHSZHASCL-SSPLZPMDSA-N 376.372 2.432 50 50 GEGA Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(N(C)C)C2=C1C(=O)CC(C)(C)C2 4742345 DLWSZMNJWOZZBN-JOCHJYFZSA-N 391.475 2.314 50 50 GEGA Cc1ccc(C(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 239159563 MJBJYWBCPDXASC-QAKAVFCJSA-N 393.233 2.292 50 50 GEGA COc1ccc(N2C[C@H](C(=O)N/N=C/c3cc(OC)ccc3OC)CC2=O)cc1 1211917 HQZHQCIOHOJYMY-HJGVYBFFSA-N 397.431 2.216 50 50 GEGA O=C(N/N=C1\CC[C@@H](C(=O)O)c2ccccc21)c1nnc(O)c2ccccc12 1875253966 FFHMIQHSZHASCL-JJTVEENBSA-N 376.372 2.432 50 50 GEGA CCOc1ccccc1NC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2853454 KRMANMAIUOMITF-UHFFFAOYSA-N 380.382 2.009 50 50 GEGA O=C(N/N=C1\C(=O)N(CN2CCCCCC2)c2ccccc21)c1cccnc1 19790958 BAPMTNAZXVHTIL-NMWGTECJSA-N 377.448 2.396 50 50 GEGA O=C(O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cc1 1875262504 ABBLXOSWLFINAP-UHFFFAOYSA-N 388.323 2.027 50 50 GEGA O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(-n2cnnn2)cc1 2738351 URCWWSKPMZPBFV-UHFFFAOYSA-N 377.191 2.044 50 50 GEGA CCc1ccc(-c2nc(C(=O)NNC(=O)c3csc(=NC)[nH]3)cs2)cc1 1875254309 YQPJJEVTEZYPIR-UHFFFAOYSA-N 387.490 2.367 50 50 GEGA COc1cc(Cl)cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c1O 55444300 IPLGLQKRLDNVOE-BICGDSQFSA-N 387.823 2.034 50 50 GEGA O=C(NN=c1cncc[nH]1)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 1875255709 IQKVRTQNXBQAMZ-UHFFFAOYSA-N 387.396 2.019 50 50 GEGA CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc2c(c1)OCO2 4502856 DGIFHJVTLMBVEY-HNNXBMFYSA-N 384.417 2.363 50 50 GEGA O=C(CCl)N[C@@H]1C[C@H](NC(=O)c2cnn(CCC(F)(F)F)c2)C12CCC2 1875383628 AXWOHNKFINMMGD-NEPJUHHUSA-N 392.809 2.232 50 50 GEGA CC(=O)N[C@H](CCC(C)C)C(=O)NC[C@H](NC(=O)CCl)c1ccccc1 1875384714 VDSOPJNOSNYUGZ-SJORKVTESA-N 381.904 2.140 50 50 GEGA CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)[C@@]13CC[C@@](C)([C@H](O)C1)C3(C)C)C[C@H]2O 245241610 KTHKFBXSXFSTAX-LUCNKMONSA-N 392.540 2.288 50 50 GEGA CS(=O)(=O)/C(C#N)=C/c1cc(C(=O)CN2CCC(C(F)(F)F)CC2)c[nH]1 263639960 PWHOVAYNOXMMCH-VGOFMYFVSA-N 389.399 2.381 50 50 GEGA O=C(CCl)N[C@H]1C[C@H](NC(=O)Cc2ccc3c(c2)COCC3)C12CCC2 1875384488 QOXDDZBRFQZCHJ-IRXDYDNUSA-N 376.884 2.084 50 50 GEGA COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccncc3)C3=C2CCS3(=O)=O)cc1 4623356 VLDDIJHEXGYBHB-GOSISDBHSA-N 394.456 2.418 50 50 GEGA COc1ccc(OC)c(/C=N/NC(=O)c2nn(C)c(C)c2Br)c1 675932 VEQWLIUCYZLMNY-CAOOACKPSA-N 381.230 2.272 50 50 GEGA Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 239310033 HZNXVAJIJSQMOZ-APCWTUGXSA-N 394.855 2.310 50 50 GEGA O=C(CCl)N[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)OCCCO3)C12CCC2 1875384842 XLHQSABEGFLYIB-HZPDHXFCSA-N 378.856 2.244 50 50 GEGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1cccc(Br)c1 2571631 NXJFYJWUDSBRFM-AWQFTUOYSA-N 378.201 2.468 50 50 GEGA N#C/C(=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)c1nn(CCO)c(N)c1C#N 4181865 IBLHLMZJBXRQSH-JLHYYAGUSA-N 389.375 2.092 50 50 GEGA O=C(N/N=C1\C(=O)N(CN2CCOCC2)c2ccccc21)c1ccccc1Cl 19790968 IBPVDHXUPAOCIA-PYCFMQQDSA-N 398.850 2.110 50 50 GEGA CSc1nc(C)cc(SCC(=O)NNC(=S)NC2CCCCC2)n1 3130380 NQWWYXODKHZJAU-UHFFFAOYSA-N 385.584 2.427 50 50 GEGA N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)NC[C@H]1CCCO1 1462470 APRXORKCNSEWGN-KBVBDRTLSA-N 379.210 2.380 50 50 GEGA C[C@@]1(Br)C[C@H]1C(=O)NCc1ccc(CCNC(=O)CCl)cc1 1875326735 IPHONLSTLKJBAX-XJKSGUPXSA-N 387.705 2.374 50 50 GEGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)N1CCCc3cccc2c31 1460198 HQHFYGBBVGXTFG-QHCPKHFHSA-N 397.390 2.458 50 50 GEGA Cc1cc(C)nc(S[C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)n1 5010306 MGWBTJGVHRCXTM-VDLQQMNMSA-N 388.449 2.188 50 50 GEGA C[C@@H]1CCc2c(C(=O)NNC(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)csc2C1 239339198 LUZCIXHYHVKNFA-OWWRBYITSA-N 376.478 2.381 50 50 GEGA Cc1ccc(NC(=S)NNC(=O)c2nn(C)c(C)c2Br)cc1 650681 YOSCMRSKKJRKNE-UHFFFAOYSA-N 382.287 2.431 50 50 GEGA COc1cc(/C=N/NC(=O)c2c(Cl)cnn2C)cc(Br)c1O 669109 HQKWVJWZXVRLJI-FZSIALSZSA-N 387.621 2.314 50 50 GEGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3OCC(=O)O)[nH]n2)cc1 5297708 AJWLTKAAXFZZSY-SRZZPIQSSA-N 394.387 2.313 50 50 GEGA Cc1cc(C)nc(NC(=O)C(=O)NNC(=O)c2c(Cl)cccc2Cl)c1 193813750 PWIKBGUVMLONON-UHFFFAOYSA-N 381.219 2.405 50 50 GEGA Cc1ccc(S[C@H](C)C(=O)NCC2(NC(=O)CCl)CCOCC2)cc1 1875384522 RPLIPCLGNMRNTE-CQSZACIVSA-N 384.929 2.496 50 50 GEGA N#CC1=C(N)Oc2cc(O)ccc2[C@@]12C(=O)Nc1ccc(Br)cc12 754848 KVQAWXURPXPMLL-KRWDZBQOSA-N 384.189 2.479 50 50 GEGA COc1ccc(N2C[C@@H](C(=O)N/N=C/c3cc(OC)ccc3OC)CC2=O)cc1 1211915 HQZHQCIOHOJYMY-OOXYOOLHSA-N 397.431 2.216 50 50 GEGA CCOc1ccccc1/C=N/NC(=O)CC(=O)N/N=C/c1ccccc1OCC 2573629 VNKWBUIUSCPVJU-HOFJZWJUSA-N 396.447 2.475 50 50 GEGA CCOc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c1O 20064627 OVNFIPYFMJOKFG-HZHRSRAPSA-N 396.491 2.059 50 50 GEGA Cc1nc(CC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)CCl)C2)c(C)s1 1875383843 FQDPZDDIZQMGIS-PWSUYJOCSA-N 397.850 2.437 50 50 GEGA Cc1ncnc2c1C[C@H](C(=O)N(C)CC[C@@H](NC(=O)CCl)C(C)C)CC2 1875383847 FVHMYUNHMDUSPM-GDBMZVCRSA-N 380.920 2.118 50 50 GEGA Cc1nc(CC(C)C)c(C(=O)NCC2(NC(=O)CCl)CCOCC2)s1 1875384906 YIWURPZBCGVPCM-UHFFFAOYSA-N 387.933 2.284 50 50 GEGA Cn1cc2c(n1)CCC[C@H]2C(=O)N[C@H](CNC(=O)CCl)C1CCCCC1 1875384269 NNUNMQKFIOQHJH-RHSMWYFYSA-N 380.920 2.260 50 50 GEGA Cc1nn([C@@H](C)C(=O)NNC(=S)Nc2ccc(F)cc2)c(C)c1[N+](=O)[O-] 8677696 UQOBVZLSEJMLAI-JTQLQIEISA-N 380.405 2.126 50 50 GEGA NNC(=O)CN[C@@H](c1cc(Br)ccc1N)c1ccccc1Cl 55129593 KGGZVGJVUALRCS-OAHLLOKOSA-N 383.677 2.354 50 50 GEGA C/C(=N/NC(=O)c1ccccc1O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 25763771 DKSDKMWOEIGDOJ-ODLFYWEKSA-N 380.364 2.344 50 50 GEGA CC(C)(C)OC(=O)N(CCOc1ccc(B(O)O)cc1F)C1CCCCC1 230552866 IWGHTBHHVIFXDU-UHFFFAOYSA-N 381.253 2.454 50 50 GEGA Cc1ncnc2c1C[C@@H](C(=O)N(C)CC[C@H](NC(=O)CCl)C(C)C)CC2 1875383850 FVHMYUNHMDUSPM-HOCLYGCPSA-N 380.920 2.118 50 50 GEGA CC(C)(C)n1nnc(CN(C[C@@H]2OCCc3ccccc32)C(=O)CCl)n1 1875384083 LFAHTTOABCVCON-HNNXBMFYSA-N 377.876 2.310 50 50 GEGA COc1ccc(/C=N/NC(=O)c2cccs2)cc1Cn1cnc([N+](=O)[O-])n1 19800552 HBOYLJCZHSOBSY-QGMBQPNBSA-N 386.393 2.069 50 50 GEGA N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NCCN1CCOCC1 26686741 BPDOQEVIGIOSMC-SSZFMOIBSA-N 396.403 2.210 50 50 GEGA C[C@@H](c1ccc(B(O)O)cc1)N1CCN(CCO[Si](C)(C)C(C)(C)C)CC1 230542632 RVBPTWIBJKUQSF-KRWDZBQOSA-N 392.425 2.067 50 50 GEGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3cnccn3)c2)cc1 2542754 YMLFTWDZLMLOIR-FSJBWODESA-N 376.372 2.468 50 50 GEGA O=C(COCC(=O)N/N=C/CCc1ccccc1)N/N=C/CCc1ccccc1 4823499 YBXZZEQMWKOTDW-DFEHQXHXSA-N 394.475 2.473 50 50 GEGA O=C(CCl)NC[C@@H](NC(=O)c1nc2c(s1)COCC2)C1CCCCC1 1875383893 GMCYXCMKZIWCBE-CYBMUJFWSA-N 385.917 2.250 50 50 GEGA Cc1cc(OCC(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc(C)c1Cl 941971 ZSJPUFWHNBMYRG-ZIAGYGMSSA-N 382.844 2.374 50 50 GEGA Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)[C@H]1COc2ccccc2O1 100338475 NWNXQISVSQTREZ-PGNNWUFWSA-N 378.388 2.176 50 50 GEGA O=C(NCCNC(=O)c1ccccc1)NNC(=O)c1cccc(C(F)(F)F)c1 730021375 ITPQUDZKSDDGBL-UHFFFAOYSA-N 394.353 2.079 50 50 GEGA CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)cc3F)[C@H]2C1 706127 QJLPMZJGRMQJAB-WMZOPIPTSA-N 379.370 2.237 50 50 GEGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)c1cc(-c2ccccc2)n[nH]1 5029834 JMKVQVIEGJRIQU-UHFFFAOYSA-N 376.332 2.071 50 50 GEGA Cn1ncc(I)c1C(=O)N/N=C/c1c[nH]c2ccccc12 993832 MVXVSSFGZPZWQZ-REZTVBANSA-N 393.188 2.270 50 50 GEGA CCOC(=O)C1=C(CI)NC(=O)N[C@@H]1c1ccccc1 842416 YRJBRNFRQFUDSP-GFCCVEGCSA-N 386.189 2.293 50 50 GEGA COc1ccc(NC(=O)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1Cl 2903291 PVXLDWCUZXKONK-GIJQJNRQSA-N 376.756 2.346 50 50 GEGA CN(C)N1C(N)=C(C#N)[C@]2(C(=O)Nc3ccccc32)C2=C1CC(C)(C)CC2=O 4742278 LFGUHWCVEJWHGN-NRFANRHFSA-N 377.448 2.006 50 50 GEGA O=C(CCl)N[C@@H]1C[C@@H](NC(=O)c2cn(C3CCCCC3)nn2)C12CCC2 1875383835 FPRAOCXPNMPCIH-HUUCEWRRSA-N 379.892 2.179 50 50 GEGA O=C(CCl)NC[C@@H](NC(=O)Cn1cc2ccccc2n1)C1CCCCC1 1875384544 SGAJDKZCLFDPNU-QGZVFWFLSA-N 376.888 2.456 50 50 GEGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(-c2ccccc2)s1 4209814 LKMKKKGILASICH-VCHYOVAHSA-N 396.388 2.202 50 50 GEGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)c(O)c3)[nH]n2)cc1OC 17885161 FWQJKQZQDIPRRT-KEBDBYFISA-N 382.376 2.269 50 50 GEGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC)c2O)cc1 4230175 CLJCVVUQYBDJAG-YDZHTSKRSA-N 399.447 2.460 50 50 GEGA CCn1cc(C(=O)N[C@@H](CNC(=O)CCl)c2ccc3ccccc3c2)nn1 1875384846 XOAVCOQPHCNODN-INIZCTEOSA-N 385.855 2.277 50 50 GEGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccccc1O 4347419 QLDWMKMEIFMPKZ-DJKKODMXSA-N 376.210 2.035 50 50 GEGA O=C(O)COc1ccccc1/C=N/NC(=O)c1n[nH]c2c1CCc1ccccc1-2 4518087 ZGZFEHHPWBXVCF-SSDVNMTOSA-N 390.399 2.403 50 50 GEGA N#CCC(=O)N/N=C(/c1nc2ccc(Cl)cc2nc1O)[C@H](O)c1ccccc1 5398804 DVQSGQNDZUYWDE-NAHYFOQLSA-N 395.806 2.456 50 50 GEGA COc1cc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)cc(OC)c1OC 1010339 KILFJESVXCBOGL-SFHVURJKSA-N 398.463 2.289 50 50 GEGA N#Cc1c(NC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 4209445 OREVLIFYUKATJU-KEBDBYFISA-N 397.416 2.496 50 50 GEGA O=C(N/N=C/c1cccs1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 17077253 DNTJAZGECICZCD-CRRKTRLDSA-N 377.491 2.299 50 50 GEGA CCOc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 20081430 UPMKYKMAAXFDGH-XQNSMLJCSA-N 380.492 2.353 50 50 GEGA COc1ccc(O)c(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)c1 4260847 RJVQBVIVRJMMPQ-FSJBWODESA-N 377.400 2.434 50 50 GEGA Cc1cc(C)nc(N2CCC(C(=O)NNc3nc4cnccc4s3)CC2)n1 1875285260 IDINNVZCFAPZOP-UHFFFAOYSA-N 383.481 2.458 50 50 GEGA C[C@H](NC(=O)CCl)C1CCN(C(=O)[C@]2(C)OCCc3ccccc32)CC1 1875383771 DSMCDHNBDOOROX-VBKZILBWSA-N 378.900 2.457 50 50 GEGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc(OC)ccc2O)cc1 4261019 LOMJPGZWZRKDEE-YDZHTSKRSA-N 399.447 2.460 50 50 GEGA CC(C)(C)CCN(CCc1ccccc1)C(=O)c1ccc(B(O)O)c(C=O)c1 2325873666 PEEWELPWAMTXMZ-UHFFFAOYSA-N 381.281 2.300 50 50 GEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1 2568817 OFTIDGCWDNPIJH-CIAFOILYSA-N 385.420 2.364 50 50 GEGA CCOC(=O)/C(C)=N/NC(=O)c1cc[n+](CC(=O)c2ccc(Cl)cc2)cc1 5716442 BVNLDJCBNXWMAL-UHFFFAOYSA-O 388.831 2.179 50 50 GEGA CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=S)Nc2ccc(F)cc2)C1 225554330 KPIIODPQLBFJDY-OLZOCXBDSA-N 380.489 2.428 50 50 GEGA Cn1cc2c(n1)CCC[C@H]2C(=O)N[C@@H](CNC(=O)CCl)C1CCCCC1 1875384268 NNUNMQKFIOQHJH-PBHICJAKSA-N 380.920 2.260 50 50 GEGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC)c2OC)cc1 2552885 SSCIDUCSQLCXJO-YDZHTSKRSA-N 399.447 2.373 50 50 GEGA C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1cccs1 8443329 BWHGLWKBRVWJBV-VXLYETTFSA-N 394.420 2.115 50 50 GEGA O=C(CCl)N[C@@H]1C[C@@H](NC(=O)Cc2ccc3c(c2)COCC3)C12CCC2 1875384487 QOXDDZBRFQZCHJ-IAGOWNOFSA-N 376.884 2.084 50 50 GEGA O=C(CN1C(=O)/C(=N/NC(=O)c2ccncc2)c2ccccc21)Nc1ccccc1 100501209 ZPDPWQKTWXAOSS-LKUDQCMESA-N 399.410 2.201 50 50 GEGA O=C(CCl)N[C@@H](CNC(=O)[C@]12CCCCC(=O)N1CCC2)c1ccccc1 1875383996 IURVIKSEPOZPAT-OXJNMPFZSA-N 391.899 2.134 50 50 GEGA CCC(C(=O)N/N=C/c1ccccc1OC)C(=O)N/N=C/c1ccccc1OC 39959615 CRCMSSZFUYNPHD-MSKUYSOUSA-N 396.447 2.330 50 50 GEGA O=C(CCl)NCCC1CCN(C(=O)[C@]2(c3ccccc3)CCOC2)CC1 1875384219 MJDQRQYJBPDYLE-HXUWFJFHSA-N 378.900 2.328 50 50 GEGA CCC[C@@H](Br)C(=O)NCCNC(=O)[C@H](Br)CCC 3122788 WHYQTNAIPWZKOK-NXEZZACHSA-N 386.128 2.346 50 50 GEGA CCc1c(C)sc(NC(=S)NNC(=O)c2ccccn2)c1C(=O)OC 17077413 FEZGBTKIBFVSDG-UHFFFAOYSA-N 378.479 2.432 50 50 GEGA Cc1ccc(S(=O)(=O)NNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 6214540 HGOQFZCYIGSTNT-UHFFFAOYSA-N 387.505 2.217 50 50 GEGA O=C(CCN1CCN(c2ccccc2)CC1)NNC(=S)Nc1ccccc1 4821349 CYMHENMTGGTONJ-UHFFFAOYSA-N 383.521 2.217 50 50 GEGA CCOc1cc(C(=O)NNC(=S)NCCCOC)cc(OCC)c1OCC 5041268 BSLFXNDYIJTRIX-UHFFFAOYSA-N 399.513 2.028 50 50 GEGA COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCC(N)=O 659513 IOBODUWMNLMMJR-FSJBWODESA-N 377.400 2.476 50 50 GEGA COc1cc(OC)c([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)cc1OC 1080080 CAXBYNNQHPTBOT-LJQANCHMSA-N 398.463 2.289 50 50 GEGA O=C(Cn1ncc2ccccc21)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)CCl 1875383365 QWTDLGIUHYSUCT-OXQOHEQNSA-N 382.851 2.174 50 50 GEGA COc1ccc(OC)c(/C=N\NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)c1 13108577 DCFXOUUTEMVCFV-UWVJOHFNSA-N 399.363 2.214 50 50 GEGA COc1ccc(/C(C)=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 19879684 PIVUOCJMIYGSIK-PTGBLXJZSA-N 380.492 2.353 50 50 GEGA CCn1c(NNC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)nc2ccccc2c1=O 360850544 OTDOYEPFVSMNMJ-NRFANRHFSA-N 392.415 2.031 50 50 GEGA O=C(CCl)N[C@H]1C[C@H](NC(=O)c2cnn(CCC(F)(F)F)c2)C12CCC2 1875383630 AXWOHNKFINMMGD-RYUDHWBXSA-N 392.809 2.232 50 50 GEGA COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c([N+](=O)[O-])cc1OC 4954657 OZSHAXIQHBQOPU-OAHLLOKOSA-N 385.332 2.092 50 50 GEGA C[C@@H]1CCc2c(C(=O)NNC(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)csc2C1 239339197 LUZCIXHYHVKNFA-DQJMSKHYSA-N 376.478 2.381 50 50 GEGA C[C@H](NC(=O)CCl)c1ccc(CNC(=O)c2ccccc2-n2cnnn2)cc1 1875384029 JNAFEAPENPGMKX-ZDUSSCGKSA-N 398.854 2.008 50 50 GEGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3nc(C)[nH]c(=O)c32)cc1Br 875323 YXYFHCRKZDSCNC-GFCCVEGCSA-N 389.209 2.068 50 50 GEGA COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc([N+](=O)[O-])c1O 35337457 TVUJLKKIMAHDQL-VXLYETTFSA-N 381.348 2.463 50 50 GEGA CC(=O)N(NC(=O)c1ccccc1Cl)[C@H]1CC(=O)N(c2ccc(C)cc2)C1=O 100125061 SAGKLNSSYNPQDW-KRWDZBQOSA-N 399.834 2.474 50 50 GEGA COc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c(OC)c1 239439001 ZHORBVUXVBQLHV-GFIYSBKGSA-N 396.237 2.213 50 50 GEGA Cc1ccc2c(c1Br)/C(=N/NC(=O)c1cc(O)cc(O)c1)C(=O)N2 18107666 GQEZSPSFBOJGCT-UHFFFAOYSA-N 390.193 2.255 50 50 GEGA O=C(N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1cncc(Br)c1 4964557 UBYIGRNUICDXQO-ZWSORDCHSA-N 393.153 2.245 50 50 GEGA Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CCBr)cc1 2395819 DIRXXXHQOBNPSU-UHFFFAOYSA-N 376.254 2.409 50 50 GEGA O=C(CCl)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cnc2c(n1)CCCC2 1875383122 HSQZPVYJATWVDW-VQIMIIECSA-N 384.867 2.106 50 50 GEGA COc1cc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)cc(OC)c1OC(C)=O 6720035 HYADJHIFYZZRBH-LSFURLLWSA-N 382.376 2.269 50 50 GEGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@]21C(=O)Nc2ccc(C)cc21 4751942 DUCVYWDFOTXGEU-LJQANCHMSA-N 381.413 2.476 50 50 GEGA Cc1ncc2c(n1)CC[C@@H](C(=O)NC1(CNC(=O)CCl)CCCCC1)C2 1875383936 HKDMCHKDJDXSMI-CQSZACIVSA-N 378.904 2.064 50 50 GEGA O=C(CNC(=O)Nc1ccc(F)cc1)NNC(=O)Nc1cccc(Cl)c1 2165560 MGGBCMDHMXRJKR-UHFFFAOYSA-N 379.779 2.454 50 50 GEGA CC(=O)Nc1ccc(Br)cc1[C@H](NCC(=O)NN)c1ccccc1 55372553 YNYSRPHHMRMMIC-QGZVFWFLSA-N 391.269 2.076 50 50 GEGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)OC2)[C@@]12C(=O)Nc1ccccc12 4624590 BGSCAWBWCLUUME-NRFANRHFSA-N 388.358 2.041 50 50 GEGA Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)c1cc(O)cc(O)c1 8664656 KQWOPCXYKXHVEG-UHFFFAOYSA-N 390.193 2.255 50 50 GEGA CCc1[nH]nc(C(=O)NCCSSCCC(=O)O)c1Br 1875388978 XCEMISKRXXCCQZ-UHFFFAOYSA-N 382.305 2.321 50 50 GEGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccccc1Br 4303023 IFILJLMVBOLTFQ-AWQFTUOYSA-N 378.201 2.468 50 50 GEGA CCn1c(=O)c(C)nc2cc(C(=O)NCCSSCCC(=O)O)ccc21 1875388783 QAAVRLCNYXQXCR-UHFFFAOYSA-N 395.506 2.311 50 50 GEGA CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2ccccc2OC)C(C#N)=C(N)O1 808810 VHGKTFKROANYDC-QGZVFWFLSA-N 386.404 2.273 50 50 GEGA CC(C)(C)n1nnc(CN(C[C@H]2OCCc3ccccc32)C(=O)CCl)n1 1875384085 LFAHTTOABCVCON-OAHLLOKOSA-N 377.876 2.310 50 50 GEGA O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccncc1 5042270 ACZRLHOTJQWVCU-UHFFFAOYSA-N 384.617 2.338 50 50 GEGA Cc1cccc(NC(=S)NNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1 8685685 ONIUQRHBPIRGMD-UHFFFAOYSA-N 376.442 2.124 50 50 GEGA O=C(CCl)N[C@@H](CNC(=O)[C@@]12CCCCC(=O)N1CCC2)c1ccccc1 1875383995 IURVIKSEPOZPAT-JXFKEZNVSA-N 391.899 2.134 50 50 GEGA O=C(NNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1cccnc1 1074305 FYNHNHMWCOCUDZ-UHFFFAOYSA-N 392.415 2.085 50 50 GEGA COc1cc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)cc(OC)c1OC 1220179 ZTKUJKDEVIYPGS-HYARGMPZSA-N 399.447 2.313 50 50 GEGA CN1C(=O)[C@]2(C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 4742283 NLPDXMIKJVGTKQ-QFIPXVFZSA-N 391.475 2.030 50 50 GEGA COc1ccc(Br)cc1/C=C(\C#N)c1nn(CCO)c(N)c1C#N 4380175 KUPFSFHWZWULPK-IZZDOVSWSA-N 388.225 2.165 50 50 GEGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(OC)c3OC)[C@H]2C1 989047 CAGKUPBBGYWKDZ-HKUYNNGSSA-N 389.459 2.449 50 50 GEGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1cc(Br)ccc1O 2573340 CVGBSBRQDXZOGD-DNTJNYDQSA-N 394.200 2.174 50 50 GEGA COc1ccc(C2=NO[C@@H]3[C@H]2/C(=N/NC(=O)c2ccsc2)[C@H]2OC[C@H]3O2)cc1 824659955 WLPRYIDFGAYGMT-HPBKRDJNSA-N 399.428 2.017 50 50 GEGA COc1ccc(O)c(/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)c1 4210036 JOALFXAIVKCAJO-VXLYETTFSA-N 397.416 2.008 50 50 GEGA COC(=O)[C@]1(Cc2ccccc2)N[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)OC(=O)[C@H]21 252427618 AALQLXOJVZHYOM-KYFSNAEOSA-N 399.830 2.455 50 50 GEGA COc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)cc1OC 4210426 UAKHXMRNDBARHY-UFFVCSGVSA-N 375.812 2.237 50 50 GEGA C=CC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cc3c(s2)CCCCC3)C1 2325889201 FJJYVLPMNCSZKZ-AWEZNQCLSA-N 375.494 2.203 50 50 GEGA COc1ccc(NC(=S)NNC(=O)c2nn(-c3ccccc3)nc2C)cc1 3136276 JTFKVBLLNVNWEW-UHFFFAOYSA-N 382.449 2.216 50 50 GEGA biogenic COc1cc(/C=N/NC(=O)c2cc(-c3cccn3C)n[nH]2)cc(OC)c1OC 18066515 CLRPSHFQFOANBE-RGVLZGJSSA-N 383.408 2.205 50 50 GEGA COc1ccc(CC(=O)NNC(=O)Nc2ccc(OC)c(OC)c2)cc1OC 2856190 FKURAPXUZCZIQW-UHFFFAOYSA-N 389.408 2.116 50 50 GEGA O=C(CCl)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ncnc2sccc12 1875383391 RPMKPVAYGBSMSK-UKRRQHHQSA-N 386.864 2.442 50 50 GEGA O=C(O)CCSSCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 1875388947 WGJMZIVLBPMCKZ-UHFFFAOYSA-N 396.450 2.366 50 50 GEGA C#CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(OCCC)cc1 2544110 XFXZPHREEMFPHS-BUVRLJJBSA-N 393.443 2.368 50 50 GEGA Cn1cc2c(n1)CCC[C@@H]2C(=O)N[C@H](CNC(=O)CCl)C1CCCCC1 1875384270 NNUNMQKFIOQHJH-WMLDXEAASA-N 380.920 2.260 50 50 GEGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 2552896 XHXNFQKKCNQAIZ-CIAFOILYSA-N 384.392 2.264 50 50 GEGA COc1cc(/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)ccc1O 5675478 OQWUDGVIBAVCMY-VXLYETTFSA-N 397.416 2.008 50 50 GEGA Cc1ccc(C(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 239159564 MJBJYWBCPDXASC-WMLLRYHISA-N 393.233 2.292 50 50 GEGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1cc([N+](=O)[O-])ccc1O 6536541 XBKWYDVBRSZIAM-SSDVNMTOSA-N 392.371 2.334 50 50 GEGA NNC(=O)CN1C(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 835872 VSOAUHZDUJKYCM-HNNXBMFYSA-N 375.226 2.376 50 50 GEGA CN1C(=O)[C@@]2(C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 4742279 NLPDXMIKJVGTKQ-JOCHJYFZSA-N 391.475 2.030 50 50 GEGA CCn1ncc(NC(=S)NNC(=O)CCn2nc(C)c(Cl)c2C)c1C 2802555 JIZWGNADMVPMHJ-UHFFFAOYSA-N 383.909 2.086 50 50 GEGA O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=S)NCc1ccc(Cl)cc1 2853233 QJYAQZKQVZTYTO-UHFFFAOYSA-N 378.841 2.486 50 50 GEGA O=C(N/N=C/c1cc(Br)ccc1O)C(=O)Nc1ccc(F)cc1 3148388 QPVGPELNNFVLHN-QGMBQPNBSA-N 380.173 2.383 50 50 GEGA CC(=O)N[C@@H](CCC(C)C)C(=O)NC[C@@H](NC(=O)CCl)c1ccccc1 1875384711 VDSOPJNOSNYUGZ-DLBZAZTESA-N 381.904 2.140 50 50 GEGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cc(Br)ccc1F 1423724 WKMUYMJBQZCJOV-ZDUSSCGKSA-N 393.168 2.252 50 50 GEGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 4282889 KWEOBZLTRVVRSC-FSJBWODESA-N 397.431 2.474 50 50 GEGA CC(C)(C)C[C@@H]1CN(C(=O)c2ncn(C(C)(C)C)n2)C[C@H]1NC(=O)CCl 1875383229 LVQQSJKMDRPXSA-CHWSQXEVSA-N 383.924 2.265 50 50 GEGA CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)cc3F)[C@@H]2C1 819607 QJLPMZJGRMQJAB-SJLPKXTDSA-N 379.370 2.237 50 50 GEGA C=CC(=O)N1CCC(C(=O)NNc2ccccc2I)CC1 1875271113 XYPGWGUARDQHKN-UHFFFAOYSA-N 399.232 2.159 50 50 GEGA O=C(O)CCSSCCNC(=O)CCCNC(=O)c1ccsc1 1875388407 ABCFMUZIOCVFKQ-UHFFFAOYSA-N 376.525 2.230 50 50 GEGA COc1ccc(Cl)cc1NC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1 1579336 XTXPEOKHXXWJDX-UHFFFAOYSA-N 380.763 2.279 50 50 GEGA O=C(COc1ccc(F)cc1F)NNC(=S)Nc1ccc2c(c1)OCCO2 6402637 OJPUDMFWWUMRFU-UHFFFAOYSA-N 395.387 2.133 50 50 GEGA O=C(CCl)NC[C@H](NC(=O)Cn1cc2ccccc2n1)C1CCCCC1 1875384543 SGAJDKZCLFDPNU-KRWDZBQOSA-N 376.888 2.456 50 50 GEGA Cc1nn(C)cc1C(=O)NC(=O)NN(C)c1ncc(C(F)(F)F)cc1Cl 1400583 UXKDODAGAIZYQD-UHFFFAOYSA-N 390.753 2.287 50 50 GEGA C/C(=N\NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccccn1 5023903 XPODSOLYNXBUSA-WASCAKKMSA-N 386.477 2.023 50 50 GEGA COc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(OC)c(OC)c3)CC2=O)cc1 1210837 OQBLHJDLALEWTO-OOXYOOLHSA-N 397.431 2.216 50 50 GEGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(CN2CCOCC2)c(C)s1 19931972 XFZHPBIASHTCDM-QGZVFWFLSA-N 389.477 2.143 50 50 GEGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Br)c1 2900340 AAZYKJRXWSYGKF-RQZCQDPDSA-N 391.181 2.446 50 50 GEGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1 2571790 LBOUWBLSLVPKNC-RQZCQDPDSA-N 391.181 2.446 50 50 GEGA CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)cc3F)[C@H]2C1 4115192 QJLPMZJGRMQJAB-FUHWJXTLSA-N 379.370 2.237 50 50 GEGA Cc1ccn(CC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H](NC(=O)CCl)C2)n1 1875383581 ZUAAJPRGPNXKGA-SJORKVTESA-N 392.862 2.070 50 50 GEGA COc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c(OC)c1 239439002 ZHORBVUXVBQLHV-IGYYUICOSA-N 396.237 2.213 50 50 GEGA O=C(COc1ccc(Cl)cc1Cl)NNC(=O)[C@H]1COc2ccccc2O1 817941 CWPMISLCYOXROL-OAHLLOKOSA-N 397.214 2.360 50 50 GEGA CN1C(=O)/C(=N\NC(=O)COc2cccc(Br)c2)c2ccccc21 5648819 STMHTRHQTOUACB-SILNSSARSA-N 388.221 2.325 50 50 GEGA CS(=O)(=O)c1cc(C(=O)NCCSSCCC(=O)O)ccc1Cl 1875388464 BXMIJWFCIOTKPC-UHFFFAOYSA-N 397.927 2.329 50 50 GEGA COc1ccc(CCNC(=S)NNC(=O)Cc2cccs2)cc1OC 2858050 XYQNPUVPGDVDKJ-UHFFFAOYSA-N 379.507 2.046 50 50 GEGA Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)N/N=C1/C[C@H]2CC[C@@]1(C)C2(C)C 253395163 OFNOPHGTFFJJTE-OWBNRRSRSA-N 396.513 2.230 50 50 GEGA C[C@]1(Br)C[C@@H]1C(=O)NCc1ccc(CCNC(=O)CCl)cc1 1875326729 IPHONLSTLKJBAX-CJNGLKHVSA-N 387.705 2.374 50 50 GEGA CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O1 1206415 DSBUPDGXBBZTIR-KRWDZBQOSA-N 386.404 2.273 50 50 GEGA COc1ccc(C)cc1NC(=S)NNC(=O)c1c(Br)cnn1C 13496776 SNWMANMTUVGILJ-UHFFFAOYSA-N 398.286 2.131 50 50 GEGA O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1ccc([N+](=O)[O-])cc1 16669748 KALOLKFWANFLHA-UHFFFAOYSA-N 389.165 2.444 50 50 GEGA Cc1ccc2snc(C(=O)N3CCO[C@H]([C@H](C)NC(=O)CCl)C3)c2c1 1875384883 YDJUGKZMLHPLPK-AAEUAGOBSA-N 381.885 2.189 50 50 GEGA COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c([N+](=O)[O-])cc1OC 4954661 OZSHAXIQHBQOPU-HNNXBMFYSA-N 385.332 2.092 50 50 GEGA O=C(N/N=C/c1ccc(O)cc1O)c1ccccc1I 725167 WXPXDFWFDYOJLY-LZYBPNLTSA-N 382.157 2.466 50 50 GEGA O=C(NNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccncc1 2850434 LWYSWOWEEWXWSH-UHFFFAOYSA-N 392.415 2.085 50 50 GEGA C=CC1(CC(=O)N[C@@H]2Cc3ccccc3[C@H]2NC(=O)CCl)CCOCC1 1875383086 GEVZTQTXDRRBBE-VQIMIIECSA-N 376.884 2.497 50 50 GEGA C[C@@]1(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)Oc2ccccc2NC1=O 4089355 RFSPZHNDGPIPQZ-QGZVFWFLSA-N 393.321 2.256 50 50 GEGA O=C(CCl)NCc1ccc(CNC(=O)[C@H]2COc3ccccc3O2)c(F)c1 1875384773 WUXNDFFZLHWKGR-QGZVFWFLSA-N 392.814 2.137 50 50 GEGA CCCCCCOc1cc(C)ccc1CNC(=O)c1ccc(B(O)O)c(C=O)c1 2325873815 UPLFWTVTAOCRSU-UHFFFAOYSA-N 397.280 2.376 50 50 GEGA O=C(CCl)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cnc2ccccc2n1 1875383224 LOGSJUFKKYCVCG-VQIMIIECSA-N 380.835 2.381 50 50 GEGA O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1cccc([N+](=O)[O-])c1 1512153 MFEYTBCGCCYJTH-UHFFFAOYSA-N 389.165 2.444 50 50 GEGA COc1cc(/C(C)=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)ccc1O 19371218 VONFUUYMCGWMCY-HAVVHWLPSA-N 396.491 2.059 50 50 GEGA Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C)N(C)CC(F)(F)F)c1C 192131340 MEXCLWCZYQEHGT-STQMWFEESA-N 375.391 2.101 50 50 GEGA CCn1cc(C(=O)N[C@H](CNC(=O)CCl)c2ccc3ccccc3c2)nn1 1875384848 XOAVCOQPHCNODN-MRXNPFEDSA-N 385.855 2.277 50 50 GEGA N#CC1=C(N)Oc2cc(N)ccc2[C@]12C(=O)Nc1ccc(Br)cc12 753151 WVVURRWLGQOMBD-QGZVFWFLSA-N 383.205 2.356 50 50 GEGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/C(Br)=C/c1ccccc1 100151804 MHUOAYOZMGSCLN-VQBRZBDYSA-N 377.242 2.427 50 50 GEGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(OC)ccc3OC)[C@@H]2C1 4452871 IAGPQFQWPZXHST-QUCCMNQESA-N 389.459 2.449 50 50 GEGA C/C(=N\NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1cccnc1 5024150 ZTHWFMOIDUCIBM-LBSLPOPVSA-N 386.477 2.023 50 50 GEGA O=C(O)Cc1ccc(S(=O)(=O)NNC(=O)c2cccc3ccccc23)cc1 739886422 MPDDXASRMDFDRS-UHFFFAOYSA-N 384.413 2.090 50 50 GEGA O=C(NNC(=O)[C@@H]1COCCO1)/C(=C\c1ccccc1)c1ccc(Cl)cc1 1775996497 HFXJRWDYVKUWLS-FSEPTYSPSA-N 386.835 2.443 50 50 GEGA C/C(=N\NC(=O)CC1(C)OCCO1)c1cccc(I)c1 4474980 YHTVOROMNMJUEG-MHWRWJLKSA-N 388.205 2.285 50 50 GEGA COc1ccc(OC)c(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1 239175747 QOXMZEGHRJLCKD-IGYYUICOSA-N 396.237 2.213 50 50 GEGA Cc1ccc(CC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c([N+](=O)[O-])c1 2819901 CIMAUJGDYMCYBW-QGMBQPNBSA-N 386.320 2.233 50 50 GEGA COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccccc1C(=O)O 2930579 BVODFEIFZLIDPK-DJKKODMXSA-N 375.768 2.136 50 50 GEGA Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2Cc3c(ccc4ccccc34)O2)cc1 1394585 YXBKTUIUENZVFM-LJQANCHMSA-N 382.441 2.461 50 50 GEGA C[C@H]1CN(c2ccc(C(=O)NCCSSCCC(=O)O)cn2)C[C@H](C)O1 1875389078 ATRURGVZNZFJFZ-STQMWFEESA-N 399.538 2.281 50 50 GEGA COc1cccc(/C(C)=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c1 19879688 AGKDLIOZCUQXJL-PTGBLXJZSA-N 380.492 2.353 50 50 GEGA CC(C)(C)[Si](OC[C@H]1OC=C[C@@H](O)[C@@H]1O)(c1ccccc1)c1ccccc1 169744744 HIVBZUOTQALJIU-NJYVYQBISA-N 384.548 2.197 50 50 GEGA Cc1nc2c(c(=O)[nH]1)[C@H](c1ccc(F)c(Br)c1)C(C#N)=C(N)O2 23279640 KMTFBUKNZMYYIR-LLVKDONJSA-N 377.173 2.198 50 50 GEGA Cc1ccc[n+]([C@@H]2[C@H](c3ccccc3[N+](=O)[O-])C(C#N)=C(S)N[C@]2(C)O)c1 245380670 GTDKYJDJOOCBLX-ZHALLVOQSA-O 383.453 2.492 50 50 GEGA COc1ccc(C2=NO[C@H]3[C@H]2/C(=N/NC(=O)c2ccsc2)[C@H]2OC[C@H]3O2)cc1 824659953 WLPRYIDFGAYGMT-DALBBRAGSA-N 399.428 2.017 50 50 GEGA Cc1c(Br)c(C(=O)NNC(=S)Nc2ccc(F)cc2)nn1C 650549 WTZXLQZLZMWXLD-UHFFFAOYSA-N 386.250 2.262 50 50 GEGA O=C(Cn1nc(-c2ccccc2)oc1=O)NNc1ccc(C(F)(F)F)cn1 775262014 ULOVFJXCRAFXLR-UHFFFAOYSA-N 379.298 2.060 50 50 GEGA Cc1cc(C)c([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1CN1CCOCC1 20472695 REIFMOBSVZOQAF-LJQANCHMSA-N 379.464 2.385 50 50 GEGA C[C@H](c1cccc(B(O)O)c1)N1CCN(CCO[Si](C)(C)C(C)(C)C)CC1 230552410 KVDYKBWWQQGIHK-QGZVFWFLSA-N 392.425 2.067 50 50 GEGA C/C(=N\NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccncc1 5023444 SIJAWQMVKPCODC-WNSCPLKPSA-N 386.477 2.023 50 50 GEGA COc1ccc(OC)c(NC(=O)C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1 2865004 MLPWDTHSBQMLOQ-UHFFFAOYSA-N 399.447 2.401 50 50 GEGA CCc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1 2865053 PIMNEASHUXAKFA-UHFFFAOYSA-N 375.812 2.067 50 50 GEGA COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1OC 3085148 RWLONCOLJKICLT-UFFVCSGVSA-N 375.812 2.237 50 50 GEGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1 4229142 KXPXNZWFQVAZPH-CIAFOILYSA-N 378.388 2.016 50 50 GEGA Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)N(C)CC(F)(F)F)c1C 192131347 MEXCLWCZYQEHGT-QWHCGFSZSA-N 375.391 2.101 50 50 GEGA CCC[C@H](Br)C(=O)NCCNC(=O)[C@@H](Br)CCC 3122789 WHYQTNAIPWZKOK-UWVGGRQHSA-N 386.128 2.346 50 50 GEGA O=C(COc1ccc(Cl)cc1Cl)NNC(=O)[C@@H]1COc2ccccc2O1 817940 CWPMISLCYOXROL-HNNXBMFYSA-N 397.214 2.360 50 50 GEGA CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(Br)c2)cc1 1229998 FJCNETCZUNRKOJ-UHFFFAOYSA-N 376.210 2.482 50 50 GEGA COc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1[N+](=O)[O-] 19770517 PJHPEAKSHLPJFY-FYJGNVAPSA-N 398.419 2.200 50 50 GEGA Cn1cc(Br)c(C(=O)N/N=C/c2ccc(OC3CSC3)cc2)n1 2750784 WWIFHESHOXUEBC-UBKPWBPPSA-N 395.282 2.441 50 50 GEGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(Cl)c2)cc1OC 4355662 VUSXEYFYINMZJF-UFFVCSGVSA-N 375.812 2.237 50 50 GEGA N#C/C(=C\c1c[nH]nc1-c1ccc(Cl)cc1)c1nn(CCO)c(N)c1C#N 5028290 SETVDIOSFWCCIX-KPKJPENVSA-N 379.811 2.437 50 50 GEGA CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccs2)cc1 2872155 WVEHKULHEMECDQ-UHFFFAOYSA-N 390.490 2.292 50 50 GEGA COc1ccc(N2C(N)=C(C#N)[C@H](c3ccncc3)C3=C2CCS3(=O)=O)cc1 4623357 VLDDIJHEXGYBHB-SFHVURJKSA-N 394.456 2.418 50 50 GEGA O=C(NNC(=S)NC[C@H]1CCCO1)c1cc(Br)ccc1Cl 2857225 HPLPBBNDBCKXDZ-SECBINFHSA-N 392.706 2.390 50 50 GEGA CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)ccc1O 4360240 NFACQVKNYLPZNK-UFFVCSGVSA-N 375.812 2.324 50 50 GEGA COc1cc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)cc(OC)c1OC 1010340 KILFJESVXCBOGL-GOSISDBHSA-N 398.463 2.289 50 50 GEGA Br[C@H]1C[C@H]2[C@@H](C[C@@H](Br)C23OCCO3)C12OCCO2 2573704 KTSSPGNMSGIYQK-FIRGSJFUSA-N 384.064 2.039 50 50 GEGA COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1Cn1cnc([N+](=O)[O-])n1 6245670 WDBJNXVLRLGQGB-ZVBGSRNCSA-N 398.354 2.146 50 50 GEGA O=C(N/N=C1\C(=O)Nc2ccccc21)C(=O)Nc1cc(Cl)ccc1Cl 4957620 CIHRWHVHVJAATC-UHFFFAOYSA-N 377.187 2.405 50 50 GEGA Cc1nn(CCC(=O)NNC(=S)Nc2cccc(Cl)c2)c(C)c1[N+](=O)[O-] 8685684 VROZBCMPQHVFQA-UHFFFAOYSA-N 396.860 2.469 50 50 GEGA COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 597260 FAIIFDPAEUKBEP-INIZCTEOSA-N 385.376 2.458 50 50 GEGA biogenic,world CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1 138516093 MWFOLYCIDAGJGK-RPLLJCPNSA-N 388.464 2.257 50 50 GEGA O=C(NNS(=O)(=O)c1cccnc1Oc1ccc(F)cc1)NC1CCCC1 864097206 MJEWROBGTDNJAE-UHFFFAOYSA-N 394.428 2.448 50 50 GEGA COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(OC)c1OC 5541492 JBGSTOBRBLUGSH-DJKKODMXSA-N 390.465 2.362 50 50 GEGA Cn1cccc(C(=O)N[C@H](CNC(=O)CCl)c2ccc3ccccc3c2)c1=O 1875383644 BFXZVHIHIBAMGP-GOSISDBHSA-N 397.862 2.365 50 50 GEGA Cc1snc(SCC(=O)NNC(=N)COc2ccc(F)cc2)c1C#N 3128095 QYFISCUAQLUJAA-UHFFFAOYSA-N 379.442 2.231 50 50 GEGA aggregator Br[C@H]1C[C@H]2[C@H](C[C@@H](Br)C23OCCO3)C12OCCO2 988479 KTSSPGNMSGIYQK-AATLWQCWSA-N 384.064 2.039 50 50 GEGA COc1cc(Cl)cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)c1O 55444297 IPLGLQKRLDNVOE-JGSDHDRGSA-N 387.823 2.034 50 50 GEGA COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(Br)c2)cc1 2898324 OHYPGAVHKKRHNI-RGVLZGJSSA-N 390.237 2.224 50 50 GEGA O=C(CCl)N[C@H]1C[C@@H](NC(=O)c2cn(C3CCCCC3)nn2)C12CCC2 1875383837 FPRAOCXPNMPCIH-LSDHHAIUSA-N 379.892 2.179 50 50 GEGA O=C(NNC(=S)NCc1ccco1)C(O)(c1ccccc1)c1ccccc1 2858802 OAKZWJGNXCPMFB-UHFFFAOYSA-N 381.457 2.211 50 50 GEGA COc1ccc(-n2nc(C(=O)NNc3ccccc3)c(C)c(C#N)c2=O)cc1 1426327 KVCPPHZKIMVULY-UHFFFAOYSA-N 375.388 2.178 50 50 GEGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2C)cc1 2546649 WAOXURYTVTUXRZ-RGVLZGJSSA-N 382.445 2.185 50 50 GEGA C[C@@H](Cl)C(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1875363750 XTRMZVSABGSNIQ-CYBMUJFWSA-N 381.885 2.085 50 50 GEGA COC(=O)c1ccccc1NC(=O)NNS(=O)(=O)c1cc(C)ccc1C 17077180 ICUMYDYJRVTERV-UHFFFAOYSA-N 377.422 2.105 50 50 GEGA O=C(O)COc1ccccc1/C=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3211516 DDHIQTPRGKXLPI-QGMBQPNBSA-N 377.740 2.476 50 50 GEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC(=O)N1CCOCC1 4549041 MZQPKIRQIXRHBL-SFHVURJKSA-N 395.415 2.332 50 50 GEGA Cc1ccc(OCC(=O)NNC(=S)Nc2ccc3c(c2)OCCO3)cc1C 6401093 IIQARFFEGWMAQR-UHFFFAOYSA-N 387.461 2.471 50 50 GEGA C[C@]12CO[C@]3(C(=O)NNC(=O)[C@]45C[C@H]6CC[C@@]4(C)[C@]6(C)CO5)C[C@H]1CC[C@@]23C 252445403 OWYQTPDXDNMUTJ-GAKFOJFCSA-N 388.508 2.324 50 50 GEGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(OC)c3OC)[C@@H]2C1 5095063 CAGKUPBBGYWKDZ-MJGOQNOKSA-N 389.459 2.449 50 50 GEGA Cc1ncnc2c1C[C@@H](C(=O)N(C)CC[C@@H](NC(=O)CCl)C(C)C)CC2 1875383849 FVHMYUNHMDUSPM-GOEBONIOSA-N 380.920 2.118 50 50 GEGA C[C@H](NC(=O)CCl)C1CCN(C(=O)[C@@]2(C)OCCc3ccccc32)CC1 1875383774 DSMCDHNBDOOROX-XOBRGWDASA-N 378.900 2.457 50 50 GEGA O=Cc1cc(C(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)ccc1B(O)O 2325873903 YHESOCWPDKIPGU-UHFFFAOYSA-N 389.619 2.024 50 50 GEGA COc1cccc(/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)c1 2566902 QVXVBWBJPPQOTF-KEBDBYFISA-N 390.237 2.338 50 50 GEGA CN1C(=O)/C(=N/NC(=O)[C@H]2COc3cc4ccccc4cc3O2)c2ccccc21 5648826 VGUDKKKYEUZCED-VKQKAZQBSA-N 387.395 2.477 50 50 GEGA Cc1cc(OCC(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc(C)c1Cl 941973 ZSJPUFWHNBMYRG-KGLIPLIRSA-N 382.844 2.374 50 50 GEGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc(OC)c1OC 2566421 OJFNTLBDUUKGHD-KEBDBYFISA-N 391.811 2.455 50 50 GEGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 4302866 DOKXVPTYZQLYGF-GIJQJNRQSA-N 376.756 2.346 50 50 GEGA Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)Oc2c1c(=O)n(C)c1ccccc21 4742358 NRCVIQCBNVKWEC-JOCHJYFZSA-N 384.395 2.171 50 50 GEGA O=C1Nc2ccc(I)cc2/C1=N\NC(=O)c1cccs1 6251554 OWQWPJDCIBBSLG-UHFFFAOYSA-N 397.197 2.439 50 50 GEGA COc1ccc(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 4821277 FBSCFZAUIPYDDO-UHFFFAOYSA-N 397.479 2.060 50 50 GEGA Cc1cc(OCC(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc(C)c1Cl 245227515 IOBFGALSNJVENI-GVAFMPQTSA-N 392.839 2.006 50 50 GEGA COc1cccc(/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)c1O 4210872 OACNAPMXVXWIBW-VXLYETTFSA-N 397.416 2.008 50 50 GEGA Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)Oc2c1c(=O)n(C)c1ccccc21 4742361 NRCVIQCBNVKWEC-QFIPXVFZSA-N 384.395 2.171 50 50 GEGA COC(=O)c1ccc(CN(C[C@@H]2Cc3ccccc3O2)C(=O)CCl)n1C 1875384039 KARZISDMUUBIIK-HNNXBMFYSA-N 376.840 2.383 50 50 GEGA O=C(NNC(=S)Nc1ccn(Cc2ccccc2F)n1)c1cc(C2CC2)[nH]n1 6448540 QEFBNIJFFKKKNQ-UHFFFAOYSA-N 399.455 2.302 50 50 GEGA CCOc1cc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)ccc1O 19833709 PMBKENLOVBIZGU-HZHRSRAPSA-N 396.491 2.059 50 50 GEGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1 2544169 IFSUTBGSELYFEU-YDZHTSKRSA-N 399.447 2.373 50 50 GEGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1nnc(-c2ccccc2)s1 4210494 SXZZXIVZUHTHDI-VCHYOVAHSA-N 396.388 2.202 50 50 GEGA O=C(COc1c(Cl)cccc1Cl)NNC(=S)NC[C@@H]1CCCO1 6861731 DGUGGBMZDXWXGZ-VIFPVBQESA-N 378.281 2.047 50 50 GEGA CN1C(=O)/C(=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21 100260145 MUOWXKSUXJYDCV-GFMRDNFCSA-N 385.423 2.419 50 50 GEGA Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)[C@@H]1COc2ccccc2O1 100338469 NWNXQISVSQTREZ-NIQDBXHUSA-N 378.388 2.176 50 50 GEGA NN1C(=O)[C@]23CCCC[C@]2(C[C@@H](Br)[C@@H](Br)C3)C1=O 101046049 DKZTZBGKIVQFPX-IVQVNHIISA-N 380.080 2.097 50 50 GEGA O=C(N/N=C/c1cc(O)ccc1Br)[C@@H]1COc2ccccc2O1 3190837 HXFCCCQTAIXHDJ-AOVQIXHVSA-N 377.194 2.445 50 50 GEGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)OC2)[C@]12C(=O)Nc1ccccc12 4624591 BGSCAWBWCLUUME-OAQYLSRUSA-N 388.358 2.041 50 50 GEGA Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)N(C)CC(F)(F)F)c1C 192131329 MEXCLWCZYQEHGT-OLZOCXBDSA-N 375.391 2.101 50 50 GEGA Cc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)COc1ccc(Cl)cc1 2865007 GXUNGNNYUGBXMR-UHFFFAOYSA-N 396.230 2.467 50 50 GEGA C[C@H]1CCc2sc(C(=O)N3CCCO[C@@H](CNC(=O)CCl)C3)cc2C1 1875384473 QHIHOTQRXOLQBR-JSGCOSHPSA-N 384.929 2.459 50 50 GEGA C=CCN1C(=O)/C(=N/NC(=O)c2nn(-c3ccccc3)cc2O)c2ccccc21 2332237324 XTBOJRWKQXHHAI-RELWKKBWSA-N 387.399 2.245 50 50 GEGA CCOc1ccccc1NC(=O)NNS(=O)(=O)c1cc(OC)ccc1OC 2850893 FFADDDIFFFDUSY-UHFFFAOYSA-N 395.437 2.118 50 50 GEGA O=C1Nc2ccc(I)cc2/C1=N/NC(=O)c1ccccc1 15015510 LMVNZWUEQHRLJC-UHFFFAOYSA-N 391.168 2.377 50 50 GEGA C[C@@H]1CCc2c(C(=O)NNC(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)csc2C1 239339199 LUZCIXHYHVKNFA-VIYUNQGVSA-N 376.478 2.381 50 50 GEGA O=C(CCl)N[C@H](CNC(=O)c1cnn(-c2ccccc2)n1)c1ccccc1 1875384275 NRQSPONAKJOMTP-MRXNPFEDSA-N 383.839 2.093 50 50 GEGA Cc1nc(CC(=O)N2CC[C@H](C(F)(F)F)[C@@H](NC(=O)CCl)C2)c(C)s1 1875383841 FQDPZDDIZQMGIS-JQWIXIFHSA-N 397.850 2.437 50 50 GEGA CCOc1ccccc1NC(=S)NNC(=O)CCc1ccc(O)c(O)c1 1119645 QYIPAXMZGIRWHH-UHFFFAOYSA-N 375.450 2.447 50 50 GEGA C/C(=N\NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1cccnc1 22920643 OJMMFQAUGAEHRY-XQNSMLJCSA-N 385.899 2.393 50 50 GEGA Cc1nc(-c2cccc(NC(=O)C(=O)NNc3ccc4ccccc4n3)c2)n[nH]1 119206454 VYHKMOUTCYZKHO-UHFFFAOYSA-N 387.403 2.410 50 50 GEGA Cc1ccc(NC(=O)NCC(=O)NNC(=O)Nc2cccc(Cl)c2)nc1 8656716 JVAZEZSOHCTDDA-UHFFFAOYSA-N 376.804 2.018 50 50 GEGA Cc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)c(C)c1 2851384 UHMDDVSTPYMEDW-UHFFFAOYSA-N 381.432 2.492 50 50 GEGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccc(F)cc1 4283246 DRYBMJQWGXLKPT-AWQFTUOYSA-N 378.201 2.468 50 50 GEGA COc1cc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)cc(OC)c1OC(C)=O 13282357 ZILLUMHECUXIHH-KEBDBYFISA-N 388.424 2.414 50 50 GEGA O=C(CNC(=O)c1cccs1)N/N=C/c1cc(Br)ccc1O 2934067 BHQBTXVWSVGLGN-REZTVBANSA-N 382.239 2.096 50 50 GEGA O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)c1cccs1 239287356 CQPJBPJMOHKODA-BOCQSXMYSA-N 385.235 2.045 50 50 GEGA CCc1n[nH]c2c1[C@H](c1cc(OC)c(OC(C)=O)c(OC)c1)C(C#N)=C(N)O2 709681 UHFPGVXPBHGROD-OAHLLOKOSA-N 384.392 2.133 50 50 GEGA COC(=O)[C@]1(Cc2ccccc2)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C(=O)OC(=O)[C@@H]21 221563486 AALQLXOJVZHYOM-PZTGFMGMSA-N 399.830 2.455 50 50 GEGA Cc1cc(C(=O)NCCSSCCC(=O)O)ccc1N1CCOCC1 1875388846 SHSGIQLXBFNLJS-UHFFFAOYSA-N 384.523 2.418 50 50 GEGA Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(F)c(Br)c1)C(C#N)=C(N)O2 23279643 KMTFBUKNZMYYIR-NSHDSACASA-N 377.173 2.198 50 50 GEGA CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1 138515935 MWFOLYCIDAGJGK-DSIZOQBWSA-N 388.464 2.257 50 50 GEGA O=C(C[n+]1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1)c1ccccc1 3064949 ADKCBZRZCATBKF-UHFFFAOYSA-O 388.403 2.350 50 50 GEGA O=C(COc1ccc2c(c1)CCC2)NNC(=S)Nc1ccc2c(c1)OCO2 6633499 FWHAKJIOPUJTSZ-UHFFFAOYSA-N 385.445 2.301 50 50 GEGA COc1ccccc1/C=N/NC(=O)CCCC(=O)N/N=C/c1ccccc1OC 17419857 VEFYYEFAZJNGLW-HOFJZWJUSA-N 396.447 2.475 50 50 GEGA COc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc1OC 1958981 PHSITKAQSRKYPA-UFFVCSGVSA-N 375.812 2.237 50 50 GEGA COc1cc(NC(=S)NNC(=O)Cc2ccccc2[N+](=O)[O-])cc(OC)c1 2857209 DVLMPOMWDZPNCJ-UHFFFAOYSA-N 390.421 2.172 50 50 GEGA CCc1ccc(NC(=O)NNS(=O)(=O)c2cc(OC)ccc2OC)cc1 17077548 KHUYHVJAKRZPFP-UHFFFAOYSA-N 379.438 2.281 50 50 GEGA COc1cc(/C=N/NC(=O)c2cncc(Br)c2)cc([N+](=O)[O-])c1O 36075257 YDJYOAVXGQCPNH-YAXRCOADSA-N 395.169 2.230 50 50 GEGA CCN1C(=O)/C(=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 15658569 BXZBEROGCJDTHR-HEHNFIMWSA-N 383.404 2.213 50 50 GEGA O=C(CCc1ccccc1O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 5060007 KFBPHDJMIHWTNI-KGENOOAVSA-N 398.419 2.220 50 50 GEGA COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccco4)C(C#N)=C(N)S[C@H]3C2=O)cc1 239308988 HCRWTKWANUUJFG-ARFHVFGLSA-N 381.413 2.371 50 50 GEGA COc1ccc(/C=N/NC(=O)CCC(=O)N/N=C/c2ccc(OC)cc2)cc1 1885426 QFWRSXSKGIWAFC-JFMUQQRKSA-N 382.420 2.084 50 50 GEGA biogenic CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)C(C#N)=C(N)O1 808809 VHGKTFKROANYDC-KRWDZBQOSA-N 386.404 2.273 50 50 GEGA CCOc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(OC)cc2OC)cc1 17080810 QSGQEOBVTCVISG-UHFFFAOYSA-N 395.437 2.118 50 50 GEGA N#CC1=C(N)Oc2cc(O)ccc2[C@]12C(=O)Nc1ccc(Br)cc12 754847 KVQAWXURPXPMLL-QGZVFWFLSA-N 384.189 2.479 50 50 GEGA