smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C#CCN1C(=O)/C(=N/NC(=O)COc2cc(C)ccc2C)c2ccccc21 18118420 BHJKEYLQYPBHBW-BSYVCWPDSA-N 361.401 2.183 50 50 FEGA COc1ccc(C(=O)N/N=C/c2ccc(OC[C@@H]3COCCO3)cc2)cc1 1194412 LOWGRASGERZKHL-CIPMJJFUSA-N 370.405 2.253 50 50 FEGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccc(Br)cc12 850193 RFLCHWPMQCCSJP-INIZCTEOSA-N 374.194 2.226 50 50 FEGA Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/NC(=O)c2nonc2N)o1 2892544 XPLRZRPGSBXTEG-CNHKJKLMSA-N 370.325 2.201 50 50 FEGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1cc(-c2ccccc2)n[nH]1 38169381 GGJRZHCDQOVOMZ-VCHYOVAHSA-N 351.322 2.454 50 50 FEGA CC[N+](CC)=C1S[C@@H]2CS(=O)(=O)[C@@H](Br)[C@@]2(C)S1 13303178 FRMKYBPDTMRMMI-MRTMQBJTSA-N 359.356 2.151 50 50 FEGA COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 1200311 WIVJQNBMBIMNPN-YBFXNURJSA-N 373.365 2.313 50 50 FEGA CC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1 1230101 DKTHTJYZDUGMHG-UHFFFAOYSA-N 361.785 2.138 50 50 FEGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1OC 2902514 LWNMYPCXJBYMIJ-VXLYETTFSA-N 361.785 2.446 50 50 FEGA O=Cc1c(OCc2cc(-c3ccc(Cl)cc3)on2)cccc1B(O)O 2325825896 GYEXKHWSFBWQFA-UHFFFAOYSA-N 357.558 2.066 50 50 FEGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3OC)[C@@H]2C1 16034119 LGKACOQOJXRNEC-IEBWSBKVSA-N 359.433 2.440 50 50 FEGA COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OC(C)=O 668242 VFUIDCZEKDXPOH-VCHYOVAHSA-N 357.322 2.293 50 50 FEGA CC(C)c1cc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cs1 136091751 SISFLLOZVHOGGF-DUBDDPSESA-N 350.440 2.379 50 50 FEGA COc1cccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1OC 1191995 FFBCGZFNNOPWIR-GIJQJNRQSA-N 360.439 2.353 50 50 FEGA COc1cccc(C(=O)NNC(=O)Nc2ccc(C(C)=O)cc2)c1OC 2858127 KNODFAVPXHSCKP-UHFFFAOYSA-N 357.366 2.373 50 50 FEGA CCCCc1[nH]nc2c1C1(CCN(C(=O)OCC)CC1)C(C#N)=C(N)O2 3908431 AGQORNMBDFZCRG-UHFFFAOYSA-N 359.430 2.329 50 50 FEGA COc1cc(/C=N/NC(=O)Cc2cccs2)cc(OC)c1OC(C)=O 1474988 GCQUVXRNBJRTCB-VCHYOVAHSA-N 362.407 2.383 50 50 FEGA O=Cc1c(OCc2ccc(Br)c(Cl)c2)cccc1B(O)O 2325826106 PALXQZQCWNZMQI-UHFFFAOYSA-N 369.407 2.174 50 50 FEGA CCCC1=C(C(=O)OCC)[C@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1 706106 LPELHYVBQWGAFT-LJQANCHMSA-N 353.378 2.218 50 50 FEGA Cc1cc2c(c(=O)n1Cc1cccnc1)[C@H](c1ccco1)C(C#N)=C(N)O2 730218 LDVZSLNXVARETC-KRWDZBQOSA-N 360.373 2.411 50 50 FEGA CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 4294251 NIEHOVBDLOORJM-OAHLLOKOSA-N 368.817 2.252 50 50 FEGA Cc1ccc(C(=O)O[C@@H]2C(=O)OC(=O)[C@@H]2OC(=O)c2ccc(C)cc2)cc1 101017752 BCIJHROJBLWCLV-IYBDPMFKSA-N 368.341 2.138 50 50 FEGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cn1nnc(-c2ccccc2)n1 830556 JUBPMWRYJPVPBN-RGVLZGJSSA-N 359.393 2.280 50 50 FEGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)N/N=C/c1cccc([N+](=O)[O-])c1 1680895 DKFSPJZPMJPBKN-CZCYGEDCSA-N 356.298 2.170 50 50 FEGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c(OC)c1OC 754276 FVDUDFMSBCGTMC-AWEZNQCLSA-N 370.361 2.192 50 50 FEGA C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)cc2C1 241383478 MVPXBNGAEOTHBS-VIYUNQGVSA-N 374.462 2.157 50 50 FEGA COc1cc(/C=N/NC(=O)COc2ccc(F)cc2F)cc(OC)c1O 13322112 YQKYAYGRXAICDJ-DNTJNYDQSA-N 366.320 2.217 50 50 FEGA O=C(Cn1nnc2ccccc21)N/N=C/c1csc(Br)c1 5905577 RYIRJQYZMGAWOV-GIDUJCDVSA-N 364.228 2.406 50 50 FEGA CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 4311328 SHFPTARTEMLSSD-ZDUSSCGKSA-N 363.757 2.458 50 50 FEGA O=C(C[S@](=O)Cn1cc(Cl)cn1)N/N=C/c1ccc(Cl)cc1 17074064 QEPRIBIDPJIXLW-AHPDCTIBSA-N 359.238 2.046 50 50 FEGA CC(C)c1cc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cs1 135936899 SISFLLOZVHOGGF-TXFQPVFDSA-N 350.440 2.379 50 50 FEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1 2565284 OIGSZOWRRLMANJ-UDWIEESQSA-N 355.394 2.355 50 50 FEGA CC(C)OCCCNC(=S)NNC(=O)c1ccccc1Br 2325308 NEXRVKAIZFBPMX-UHFFFAOYSA-N 374.304 2.373 50 50 FEGA COC(=O)[C@](O)([C@@H](Cl)C(=O)Nc1cccc(Cl)c1)C(F)(F)F 2115307 MNGNIQUFGZUKQH-GZMMTYOYSA-N 360.115 2.352 50 50 FEGA N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@@H]1c1ccc2c(c1)OCO2 4171035 BLBUANPQMSVSNZ-OAHLLOKOSA-N 359.345 2.419 50 50 FEGA CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@@H](C)Cl)CC2)cc1 1875364652 PLMANVRCOBZZAV-KGLIPLIRSA-N 352.862 2.314 50 50 FEGA N#CC(NC(=O)CCCN1C(=O)c2ccccc2C1=O)=C(Cl)Cl 204987796 YQXFXXPBLRAJRN-UHFFFAOYSA-N 352.177 2.349 50 50 FEGA Cc1nn(C)c(C(=O)N/N=C/c2ccccc2C(F)(F)F)c1[N+](=O)[O-] 673032 FOCPTGWBPXAXOJ-CNHKJKLMSA-N 355.276 2.419 50 50 FEGA N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCS(=O)(=O)C1 16790527 VPFDRDWNHUDJKZ-DJTWPOEFSA-N 359.234 2.204 50 50 FEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(OC)c2c(c1)OCO2 659367 OJCPQQPFBYFRBO-OAHLLOKOSA-N 358.350 2.069 50 50 FEGA CC1CCN(S(=O)(=O)Cc2ccccc2CNC(=O)[C@@H](C)Cl)CC1 1875366469 MDMYVNCXQPZJET-CQSZACIVSA-N 372.918 2.492 50 50 FEGA COc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)c1O 4366107 NVCOFYGCQMIRIH-HPAYWCODSA-N 359.338 2.227 50 50 FEGA C=CC(=O)N1CCCc2cc(C(=O)NNC(=O)c3cccs3)ccc21 2325889442 QRUQDKTXQRTSLS-UHFFFAOYSA-N 355.419 2.288 50 50 FEGA CN(C)c1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc1 1880814 XUFOCYAGLZMOOH-SRZZPIQSSA-N 358.829 2.286 50 50 FEGA CCOc1ccc(S(=O)(=O)NNC(=O)c2cc3ccccc3o2)cc1 903768 NYBPOCWEILDAPK-UHFFFAOYSA-N 360.391 2.455 50 50 FEGA Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2)c(C)c1 2574820 ORQLEIBKZZTOCT-UHFFFAOYSA-N 357.435 2.018 50 50 FEGA N#Cc1c(NC(=O)C(=O)N/N=C/c2ccccc2O)sc2c1CCCC2 4209828 PMGOXJBYKPPJQW-KEBDBYFISA-N 368.418 2.293 50 50 FEGA CNC(=O)[C@@H](CNC(=O)[C@H](C)Cl)Cc1ccc(C(F)(F)F)cc1 1875380664 VRJIQXVMTPJCEU-GXSJLCMTSA-N 350.768 2.354 50 50 FEGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cccc(C(F)(F)F)c1 1423726 UKEWYQPGCVIISD-ZDUSSCGKSA-N 364.279 2.369 50 50 FEGA COc1cc(/C=N/NC(=O)COc2ccccc2)c([N+](=O)[O-])cc1OC 1233853 DZBAASPMEHBYMK-VCHYOVAHSA-N 359.338 2.141 50 50 FEGA Cc1cc(C)cc(OCC(=O)NNC(=O)c2cc3ccccc3oc2=O)c1 728867 PPKRINZZVXIVCE-UHFFFAOYSA-N 366.373 2.250 50 50 FEGA Cc1cc(C)nc(NNC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)n1 171794988 FDNVOXJSHJJNIC-WBVHZDCISA-N 353.426 2.146 50 50 FEGA O=C(O)COc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1 2521940 HBZRQTPLJHLZEH-DJKKODMXSA-N 362.769 2.333 50 50 FEGA CCOC(=O)/C(C#N)=C\c1cc(Br)c(N2CCOCC2)o1 4701971 BLWSHGQOCJOAIG-YFHOEESVSA-N 355.188 2.349 50 50 FEGA O=C(NNC(=O)c1ccc2c(c1)OCO2)NC12CC3CC(CC(C3)C1)C2 5042083 UTWRAHXXGIJXIZ-UHFFFAOYSA-N 357.410 2.328 50 50 FEGA C/C(=N/NC(=O)c1cccc(C)c1O)c1cccc(NS(C)(=O)=O)c1 17074412 FYIQFFMXKONBQD-PDGQHHTCSA-N 361.423 2.226 50 50 FEGA COc1cc(/C=N/NC(=O)Cn2cnc3ccccc32)cc(OC)c1OC 945588 GIDZYLLHQMVMOG-UFFVCSGVSA-N 368.393 2.212 50 50 FEGA CC1=C(C)C[C@H](C(=O)NNC(=O)[C@@H](C)Oc2ccc(C)cc2)[C@@H](C(=O)O)C1 6845663 RBYRTEQNZYTXLD-PVAVHDDUSA-N 374.437 2.357 50 50 FEGA O=C(N/N=C/c1cccc(I)c1)c1ccncc1 1231947 LLGKFIPFEBMYNR-CXUHLZMHSA-N 351.147 2.450 50 50 FEGA C=CCN1C(=O)/C(=N\NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 1500632 RJKPJBDHAOUPDI-MNDPQUGUSA-N 350.334 2.262 50 50 FEGA O=C(O)CCSSCCNC(=O)CCc1ccc2c(c1)OCO2 1875388715 NHRXLZFXHVIOCK-UHFFFAOYSA-N 357.453 2.320 50 50 FEGA O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(Cl)c1 4992205 TYHRAUQIHQDGQZ-UHFFFAOYSA-N 364.701 2.231 50 50 FEGA COc1cc(/C=N/NC(=O)[C@@H](C)Sc2nc(C)cc(C)n2)ccc1O 1191794 VHJJYXYGLFDJHC-KBSHCFNASA-N 360.439 2.439 50 50 FEGA O=C(Cn1nnc2ccccc21)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 3204844 PYLRLCCNHBTVJX-CAOOACKPSA-N 358.745 2.143 50 50 FEGA COc1ccc(/C=N/NC(=O)c2cc(-c3cccn3C)[nH]n2)cc1OC 8685941 WMLPVMWYXPLXCW-YBFXNURJSA-N 353.382 2.196 50 50 FEGA CCOc1ccc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 19799208 AEKSTGQRWRJXSA-RBUKOAKNSA-N 359.433 2.440 50 50 FEGA O=C(N/N=C/c1ccc(O)cc1O)C(=O)Nc1ccc(Cl)c(Cl)c1 2521789 UTUNDSITFAOLTL-CNHKJKLMSA-N 368.176 2.493 50 50 FEGA O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 9271402 YHABWUBKTYJALZ-VCHYOVAHSA-N 351.322 2.454 50 50 FEGA CC1=C(C)C[C@@H](C(=O)NNC(=O)Cc2ccc(Cl)cc2)[C@@H](C(=O)O)C1 2789410 BPHFIJKSTXWYFH-CABCVRRESA-N 364.829 2.477 50 50 FEGA N#CC1=C(SCC(N)=O)NC(=O)C[C@@H]1c1ccc(Br)cc1 752218 ORSWFJLVESAUIV-SNVBAGLBSA-N 366.240 2.006 50 50 FEGA CC[N+](CC)=C1S[C@@H]2CS(=O)(=O)[C@@H](Br)[C@]2(C)S1 4371340 FRMKYBPDTMRMMI-NQMVMOMDSA-N 359.356 2.151 50 50 FEGA CC1(C)[C@@H](C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccccc2)CC[C@]1(C)C(=O)O 827706420 APRQOBUSTWEJQX-LYKCQVCGSA-N 358.438 2.465 50 50 FEGA O=C(CCl)N1CCCc2cc(S(=O)(=O)N3CCCCC3)ccc21 1875364549 NWFSNNRLJZJAHF-UHFFFAOYSA-N 356.875 2.379 50 50 FEGA COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc(OC)c1OC 724058 XBHWLBRJORRXJU-OAHLLOKOSA-N 370.361 2.192 50 50 FEGA COc1ccc(NC(=O)NNC(=O)Cc2ccccc2[N+](=O)[O-])c(OC)c1 17076551 HDIZZROGGUSAFV-UHFFFAOYSA-N 374.353 2.007 50 50 FEGA CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1cccc(OC)c1OC 4857421 PUWXHRYXOUQBHK-CYBMUJFWSA-N 354.790 2.114 50 50 FEGA Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)[C@H](O)c1ccccc1 100462257 GBOMZSUFMTZVJF-XNHPLOEXSA-N 350.378 2.070 50 50 FEGA O=C(C[S@@](=O)Cn1cc(Cl)cn1)N/N=C/c1ccc(Cl)cc1 17074063 QEPRIBIDPJIXLW-BPIVSWFSSA-N 359.238 2.046 50 50 FEGA CCC/C(=N\NC(=O)CN1CCOCC1)c1ccc(Br)cc1 19335749 XDLNWTHRJDJSLP-OBGWFSINSA-N 368.275 2.402 50 50 FEGA O=C(NNC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccncc1 1116183 MMOOQTXMQQFOGP-UHFFFAOYSA-N 350.334 2.002 50 50 FEGA O=C(CNC(=O)Nc1ccc(F)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 2141314 PFPLSCZALNFREF-DJKKODMXSA-N 359.317 2.006 50 50 FEGA N#C/C(=C\c1ccc(I)o1)C(=O)NC[C@H]1CCCO1 854009 PRDJFEBAGQYXOE-OALRPVAKSA-N 372.162 2.086 50 50 FEGA Cc1ccc(NC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1C 15934105 RHOCBTPBRKQECC-UHFFFAOYSA-N 358.354 2.443 50 50 FEGA Cn1nc(C(F)(F)F)c2cc(C(=O)NNC(=O)c3ccccc3)cnc21 1355417181 QBOBKALSJYPXOI-UHFFFAOYSA-N 363.299 2.062 50 50 FEGA CCn1nnc2c1CC[C@H](C(=O)NNc1cccc(-c3cccnc3)n1)C2 1875297625 YWIYTEHHYLFFTN-ZDUSSCGKSA-N 363.425 2.003 50 50 FEGA N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@@H]1c1cncc(-c2ccc(F)cc2)c1 17780246 ANGPANNCNHUAKB-OAHLLOKOSA-N 361.336 2.189 50 50 FEGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c(OC)c1OC 754277 FVDUDFMSBCGTMC-CQSZACIVSA-N 370.361 2.192 50 50 FEGA O=C(N/N=C/c1ccco1)c1ccc(C(=O)N/N=C/c2ccco2)cc1 1209434 GGFHSXUDDTWSMV-AYKLPDECSA-N 350.334 2.400 50 50 FEGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)C(=O)Nc1ccc(C)cc1 2544503 ASRJGSDXSDUMFD-RGVLZGJSSA-N 371.393 2.110 50 50 FEGA CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2cccc(F)c2)C(C#N)=C(N)O1 680174 KZNFNYPSLMICHD-INIZCTEOSA-N 374.368 2.404 50 50 FEGA O=C(NN=Cc1ccc(Sc2nnc[nH]2)c([N+](=O)[O-])c1)c1ccncc1 252680159 WRGIGOOLADKLJM-UHFFFAOYSA-N 369.366 2.023 50 50 FEGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(O)c2)cc1 4283274 NIUZICDERBVSFX-CIAFOILYSA-N 355.394 2.061 50 50 FEGA Cc1cccc(OCC(=O)N/N=C\c2c(C)[nH]n(-c3ccccc3)c2=O)c1 252538677 NDKDQSCHKGXPOR-MTJSOVHGSA-N 364.405 2.312 50 50 FEGA CCOc1ccc([C@H](C)NC(=O)NCCNC(=O)[C@H](C)Cl)cc1OC 253426641 KUIZYNNGEPGMFO-RYUDHWBXSA-N 371.865 2.198 50 50 FEGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccccc1[N+](=O)[O-] 4210543 DHMKXYIMZKAINZ-DJKKODMXSA-N 360.757 2.128 50 50 FEGA COC(=O)COc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1 15685528 APTYLOJPENVOHY-BOPFTXTBSA-N 350.374 2.462 50 50 FEGA CC[C@H](C)OC(=O)C1=C(C)O[C@]23OC(N)=C(C#N)[C@]12C(=O)c1ccccc13 781096 SCNMZPGXASVBBR-BHHOUSDISA-N 366.373 2.392 50 50 FEGA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Cl)cc2)n1 74941446 DHKFHTHGZNGJSY-NSHDSACASA-N 368.846 2.460 50 50 FEGA Cc1cc(C)n2nc(C(=O)N/N=C/c3cccc(Br)c3)nc2n1 727038 XVBPWJQSNZNSSJ-CAOOACKPSA-N 373.214 2.268 50 50 FEGA CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/c1cccc(OCc2ccccc2)c1 100621698 BIXBTLNGFRWBKF-AGKWGAAGSA-N 364.405 2.228 50 50 FEGA Cc1ccc(NCc2nnc(SCC(=O)NN)n2-c2ccccc2)cc1 38895682 BXFGGNFCVQAIIW-UHFFFAOYSA-N 368.466 2.270 50 50 FEGA C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)CSc1ccc(Cl)cc1 5494586 NANCIHMGECTOCO-CXUHLZMHSA-N 368.806 2.124 50 50 FEGA O=C(NNC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2)c1ncccn1 841591836 GZQHBFSXIYSPQM-MUJYYYPQSA-N 351.410 2.242 50 50 FEGA N#CC(C#N)=C1c2cc([N+](=O)[O-])ccc2[C@@H]2C([N+](=O)[O-])=CC([N+](=O)[O-])=C[C@@H]12 100165488 XANRPPRMVMGKHM-BBRMVZONSA-N 365.261 2.444 50 50 FEGA C#C[C@@H](OC(=O)NC(=O)CCBr)C(Cl)(Cl)Cl 5494285 INQVHZJYNIBDNI-RXMQYKEDSA-N 351.411 2.396 50 50 FEGA C[C@H](Oc1cccc(B(O)O)c1C=O)c1nc(-c2ccc(Cl)cc2)no1 2325825982 KKYPEXNVPVTZJH-JTQLQIEISA-N 372.573 2.022 50 50 FEGA COC(=O)[C@@](O)([C@@H](Cl)C(=O)Nc1cccc(Cl)c1)C(F)(F)F 2115306 MNGNIQUFGZUKQH-KWQFWETISA-N 360.115 2.352 50 50 FEGA COc1cc(/C=N\NC(=O)CNc2ccc(C)cc2)ccc1OC(C)=O 32606207 KVLGRIPTFKQWGO-NHDPSOOVSA-N 355.394 2.491 50 50 FEGA O=C(NNS(=O)(=O)c1ccc(F)cc1)c1sccc1-n1cccc1 5949374 RJPBAAFBUQJPQC-UHFFFAOYSA-N 365.411 2.301 50 50 FEGA COc1ccc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)c(OC)c1OC 946166 TXAGGAFOOUERNB-VXLYETTFSA-N 360.414 2.135 50 50 FEGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2O)cc1 4327362 QYWIJSBQZHEKFL-CIAFOILYSA-N 355.394 2.061 50 50 FEGA CC(C)(O)O[C@H]1C[C@H]2CS(=O)(=O)C[C@@]2(c2ccccc2)C[C@H]1Cl 71785945 OQISDUCVCAAQID-QSJFSLAZSA-N 358.887 2.484 50 50 FEGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OC)cc1 2543975 CUVIQLHHWRZPPV-LPYMAVHISA-N 369.421 2.364 50 50 FEGA CC1(C)OC(=O)C(=C2[C@@H]3[C@H]4[C@@H](Br)[C@H]5[C@@H]6C[C@@H]([C@H]3[C@@H]46)[C@@H]25)C(=O)O1 245227642 RJGIOBOOMIYNRD-DLYIZATFSA-N 365.223 2.270 50 50 FEGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21 4728126 QKBRVAPKHJIKRW-GOSISDBHSA-N 367.386 2.168 50 50 FEGA CN1C(=O)/C(=N/NC(=O)c2ccccc2Cl)c2cc([N+](=O)[O-])ccc21 15018349 TZCOQLGZHGEDHA-NBVRZTHBSA-N 358.741 2.359 50 50 FEGA Cc1nn(C)c(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] 672836 LIXKXUMXQCSEKK-CNHKJKLMSA-N 355.276 2.419 50 50 FEGA O=C(NNc1ncccn1)[C@@H]1CCN(C[C@H]2CCCc3ccccc32)C1 241969521 UWXZNHSPEFPDJA-IAGOWNOFSA-N 351.454 2.362 50 50 FEGA O=C(CCc1ccc(O)c(O)c1)N/N=C1\C(=O)Nc2ccc(Cl)cc21 17074168 PZAPUROTFBNONW-UHFFFAOYSA-N 359.769 2.156 50 50 FEGA CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)CC(=O)N1 9110313 RWGOAGLMOINBFW-GFCCVEGCSA-N 374.418 2.440 50 50 FEGA CCOc1cccc(C(=O)NNC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)O)c1 2784801 WORUUAZBHINRRY-JKSUJKDBSA-N 360.410 2.294 50 50 FEGA CCN1CC=C2[C@H](C1)[C@H](c1ccccc1OC)C(C#N)=C(N)C2(C#N)C#N 35333213 JBRHDFRKSIJXIR-QFBILLFUSA-N 359.433 2.440 50 50 FEGA COC(=O)c1ccccc1NC(=O)NNC(=O)[C@]1(C)CC1(Cl)Cl 2858343 GTCNBGVUUHQGDX-ZDUSSCGKSA-N 360.197 2.210 50 50 FEGA CCOc1cccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1O 1468301 DQOSPBFFYNPJPA-GIJQJNRQSA-N 360.439 2.440 50 50 FEGA C=CCN1C(=O)/C(=N\NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 5444057 ZEEXBQWZGYBDMR-MNDPQUGUSA-N 350.334 2.262 50 50 FEGA CCCc1ccc(OCC(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 835802 JKDLVPCTKSGRJD-HOTGVXAUSA-N 362.426 2.056 50 50 FEGA Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)CC#N)cc1 2325809480 AEUUBPOHFYHNKQ-XDHOZWIPSA-N 357.391 2.127 50 50 FEGA CCCc1cc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cs1 138815015 OELIUHSQZBEFSD-TXFQPVFDSA-N 350.440 2.209 50 50 FEGA O=C(N/N=C/c1ccncc1)c1ccc(C(=O)N/N=C/c2ccncc2)cc1 1230087 NKGPTXFOXJECRP-RNIAWFEPSA-N 372.388 2.004 50 50 FEGA C=CCOc1cccc(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)c1 2553813 ZLKDGNOCAHQZHV-WSDLNYQXSA-N 355.369 2.271 50 50 FEGA COc1ccc(O)c(/C=N/NC(=O)c2cncc(Br)c2)c1 1234849 SBLINAYFNJAQFL-REZTVBANSA-N 350.172 2.322 50 50 FEGA N#CC(C#N)=C1c2cc([N+](=O)[O-])ccc2[C@@H]2C([N+](=O)[O-])=CC([N+](=O)[O-])=C[C@H]12 100165483 XANRPPRMVMGKHM-CJNGLKHVSA-N 365.261 2.444 50 50 FEGA O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1cccc(O)c1 5649380 VBGPZMUDTUJYFW-UHFFFAOYSA-N 360.167 2.241 50 50 FEGA C/C(=N/NC(=O)c1ccn(C)n1)c1cccc(NC(=O)c2ccncc2)c1 676350 JWXGKDCFNWETLH-XKZIYDEJSA-N 362.393 2.221 50 50 FEGA CCCc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 835803 JKDLVPCTKSGRJD-CVEARBPZSA-N 362.426 2.056 50 50 FEGA CSc1ccc(NC(=O)NNC(=O)C(=O)Nc2ccc(F)cc2)cc1 2147216 ZZCZKQFLQARJKD-UHFFFAOYSA-N 362.386 2.339 50 50 FEGA COc1ccc(C(=O)N/N=C/c2ccc(OC[C@H]3COCCO3)cc2)cc1 1194410 LOWGRASGERZKHL-MRUVXERFSA-N 370.405 2.253 50 50 FEGA O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1ccc(O)cc1 5093696 KKWIJGWAZZXKFL-UHFFFAOYSA-N 360.167 2.241 50 50 FEGA O=C(NNC(=S)NCc1ccco1)c1ccccc1Br 2352306 VTMNYPKNFAEEII-UHFFFAOYSA-N 354.229 2.351 50 50 FEGA CCc1[nH]nc2c1C1(CCN(C(=O)c3ccccc3)CC1)C(C#N)=C(N)O2 5130053 AVIZKEGCCZLYLD-UHFFFAOYSA-N 363.421 2.232 50 50 FEGA CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)NN)c(Cl)cc1Cl 731450418 PXFPGXKCTIDOHG-SSDOTTSWSA-N 354.259 2.064 50 50 FEGA O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1ccccc1O 3150757 NFWKPVFJXHNRAL-UHFFFAOYSA-N 360.167 2.241 50 50 FEGA COC(=O)c1ccccc1NC(=O)NNC(=O)[C@@]1(C)CC1(Cl)Cl 2858344 GTCNBGVUUHQGDX-CYBMUJFWSA-N 360.197 2.210 50 50 FEGA CCOc1ccc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 644137 AEKSTGQRWRJXSA-RTBURBONSA-N 359.433 2.440 50 50 FEGA O=C(CNC(=O)C1CCCCC1)NNC(=O)c1ccc(Cl)cc1Cl 2871565 QHMXLTBXRICQQX-UHFFFAOYSA-N 372.252 2.451 50 50 FEGA CC1(C)OC(=O)C(=C2[C@@H]3[C@@H]4[C@@H]5C[C@@H]3[C@H]3[C@H]5[C@@H](Br)[C@@H]4[C@H]23)C(=O)O1 245227892 XTUXTICCGOUWQU-AAGNMDNGSA-N 365.223 2.270 50 50 FEGA N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@H]1c1ccc2c(c1)OCO2 4171033 BLBUANPQMSVSNZ-HNNXBMFYSA-N 359.345 2.419 50 50 FEGA COc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(F)cc3)CC2=O)cc1 1210699 NROWJFMZMXREJN-VPNURPJOSA-N 355.369 2.338 50 50 FEGA N#C/C(=C\c1cccc(Br)c1)c1nn(CCO)c(N)c1C#N 5046976 FKRJGVOUYVVUBM-IZZDOVSWSA-N 358.199 2.156 50 50 FEGA O=C(NNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 1230000 JBSPYJRWEOBHIH-UHFFFAOYSA-N 355.213 2.072 50 50 FEGA CCCc1ccc(OCC(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1 835799 JKDLVPCTKSGRJD-JKSUJKDBSA-N 362.426 2.056 50 50 FEGA O=C(Cn1ccc2ccccc21)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42 793438692 GWMQVMHBTSXYHO-YNSBBLKHSA-N 361.445 2.183 50 50 FEGA O=C(CCl)OCCOc1cccc(OCCOC(=O)CCl)c1 3122284 ZLRAYESFPJRWEA-UHFFFAOYSA-N 351.182 2.008 50 50 FEGA CCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 6489869 AWYABKSFLSCKAJ-RVDMUPIBSA-N 355.419 2.442 50 50 FEGA CCOc1ccccc1[C@@H]1[C@@H]2CN(C)CC=C2C(C#N)=C(N)C1(C#N)C#N 19800663 JWNBGUHOYQEIRG-IEBWSBKVSA-N 359.433 2.440 50 50 FEGA Cc1cc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] 2851717 YVHSZZSKERKXKI-UHFFFAOYSA-N 358.310 2.098 50 50 FEGA Cc1cc(C)n2nc(C(=O)N/N=C/c3ccc(Br)cc3)nc2n1 828668 CAZHXKCJOGZPQA-CAOOACKPSA-N 373.214 2.268 50 50 FEGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccccn3)n[nH]2)cc1OC 844940 SPAMWQCXXWCZKU-RGVLZGJSSA-N 351.366 2.253 50 50 FEGA CCc1cc(C(=O)OC)c(NC(=S)NNC(=O)c2cccnc2)s1 6708537 VIRQIGPGBWQGAL-UHFFFAOYSA-N 364.452 2.124 50 50 FEGA C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)[C@@H](C)Cl)CC3)cc2NC1=O 1875364199 JTNFCIGOGUNGCT-MNOVXSKESA-N 364.829 2.455 50 50 FEGA COc1cc(C=NNC(=O)CC#N)ccc1Oc1ccc([N+](=O)[O-])cn1 15723394 WWUWVMPGCAJBBL-UHFFFAOYSA-N 355.310 2.154 50 50 FEGA CCc1cc(C(=O)OC)c(NC(=S)NNC(=O)c2ccncc2)s1 2858980 WYCBLFBEZSZMKV-UHFFFAOYSA-N 364.452 2.124 50 50 FEGA C[C@H](CC(=O)NN=c1ccc2nncn2[nH]1)c1ccc(C(F)(F)F)cc1 2325798979 MOYQGYWHOVSFIQ-SNVBAGLBSA-N 364.331 2.202 50 50 FEGA COc1ccccc1-c1cc(C(=O)N/N=C2/C(=O)Nc3ccccc32)[nH]n1 6621716 YQYBSLJVBSVMLI-UHFFFAOYSA-N 361.361 2.172 50 50 FEGA C=CC(=O)N1CCC[C@H](C(=O)NNC(=S)Nc2c(C)cccc2CC)C1 1875302834 ISKLGUPVCYWOCC-HNNXBMFYSA-N 374.510 2.300 50 50 FEGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1cccc([N+](=O)[O-])c1 2675666 PDLRSISBRCSPNP-DJKKODMXSA-N 360.757 2.128 50 50 FEGA O=C1[C@H](Br)[C@@H](Br)C(=O)N1c1ccccc1F 1739518 GNHMLAAFLHCQTF-HTQZYQBOSA-N 350.969 2.226 50 50 FEGA C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)c1 2571813 LQRKOYRAFYMXEW-DEDYPNTBSA-N 353.378 2.349 50 50 FEGA CC(C)(C)OC(=O)NNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169975075 GSWIGNZPIXXMHC-UHFFFAOYSA-N 362.235 2.155 50 50 FEGA CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 2870071 PVGMSWQOGSWIBN-WOJGMQOQSA-N 356.338 2.082 50 50 FEGA C=C(C)CNC(=S)NNC(=O)CSc1nc2ccccc2s1 5377680 LFUOYIDOELWNOO-UHFFFAOYSA-N 352.510 2.460 50 50 FEGA O=C(CN1CCN(Cc2ccccc2)CC1)NN=C/C=C\c1ccco1 245238214 GJORQZSZENSKHG-USBNRVEKSA-N 352.438 2.213 50 50 FEGA CC[C@H](C)OC(=O)C1=C(C)O[C@@]23OC(N)=C(C#N)[C@@]12C(=O)c1ccccc13 1026741 SCNMZPGXASVBBR-KEPYVXIBSA-N 366.373 2.392 50 50 FEGA Cc1ccc(Cl)c(O[C@@H](C)C(=O)NNC(=S)NC[C@@H]2CCCO2)c1 6844601 QWEZFQIJTWZPFK-RYUDHWBXSA-N 371.890 2.090 50 50 FEGA CCCCOc1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1 136191876 DCUMJOXKHZTQGV-XJNFMUPTSA-N 374.437 2.373 50 50 FEGA COc1c(O)ccc(/C=N/NC(=O)COc2cccc(C)c2)c1[N+](=O)[O-] 1215936 NCHUJTVPIUZWLD-GIJQJNRQSA-N 359.338 2.147 50 50 FEGA OB(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 201556863 QTDGLFQIBCUAAS-UHFFFAOYSA-N 354.218 2.403 50 50 FEGA O=C(Cc1ccc(Cl)cc1)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 4724595 UMXXFEDTWMPPMM-UHFFFAOYSA-N 358.741 2.263 50 50 FEGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)O)cc1 4260044 GMGIYISMDUGKMK-CIAFOILYSA-N 368.389 2.408 50 50 FEGA CCOC(=O)C1=C(CBr)N(C)C(=O)N[C@@H]1c1ccc(O)cc1 1444585 RDPKYMJBLDUGOA-CYBMUJFWSA-N 369.215 2.300 50 50 FEGA O=C(COc1ccc(F)cc1F)NNC(=O)Nc1cccc([N+](=O)[O-])c1 2857040 MNPZTUSJDVMHBE-UHFFFAOYSA-N 366.280 2.105 50 50 FEGA COc1cc(/C=N/NC(=O)Cc2cccn2C)cc(Br)c1O 2340689 RDLLEYWPLFGLEV-RQZCQDPDSA-N 366.215 2.195 50 50 FEGA O=C(Cc1ccc(Cl)c(Cl)c1)NNC(=S)NC[C@H]1CCCO1 2851922 QLPVCDDMYSZULR-SNVBAGLBSA-N 362.282 2.210 50 50 FEGA C=CCc1ccccc1OCC(=O)NNC(=S)NCc1ccccc1 2885084 YZFDPRPOMDUKSQ-UHFFFAOYSA-N 355.463 2.489 50 50 FEGA CC(C)NC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)c(Br)c1 408788324 DTFKCMMAMLZPJI-WZUFQYTHSA-N 367.199 2.344 50 50 FEGA CCCOC(=O)C1=C(C)O[C@]23OC(N)=C(C#N)[C@]12C(=O)c1ccccc13 2474573 XHPDNVGMLNDLMK-RTBURBONSA-N 352.346 2.004 50 50 FEGA O=C(NNC(=O)c1ccccc1C(=O)O)c1cccc(Br)c1 3194490 FDNVLEODDMIGLQ-UHFFFAOYSA-N 363.167 2.222 50 50 FEGA COc1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 1573535 IRWQJZALPNFBKW-VCHYOVAHSA-N 359.338 2.385 50 50 FEGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3O)[nH]n2)cc1 8567418 MWWJSUIZCWYFMD-VXLYETTFSA-N 352.350 2.260 50 50 FEGA COc1ccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1OC 939056 UGZUJNKEFMXSRO-VCHYOVAHSA-N 359.338 2.141 50 50 FEGA O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1cccc(Br)c1 1103305 JPWBQYLRUZKREH-UHFFFAOYSA-N 364.155 2.432 50 50 FEGA CC1(C)Cc2cccc(OCC(=O)N/N=C3\C(=O)Nc4ccccc43)c2O1 5408234 QPCYFHHIFXFAKX-UHFFFAOYSA-N 365.389 2.252 50 50 FEGA O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Br 1103298 MKRRBTUOYSHGIM-UHFFFAOYSA-N 364.155 2.432 50 50 FEGA COc1cc(/C(C)=N/NC(=O)c2cc(-c3cccn3C)n[nH]2)ccc1O 13388175 KLENZLQYRCLWOI-YBFXNURJSA-N 353.382 2.283 50 50 FEGA COc1ccc(NC(=O)NNC(=O)[C@]2(C)CC2(Cl)Cl)cc1OC 2851348 PENGZTYQTIMEAV-ZDUSSCGKSA-N 362.213 2.440 50 50 FEGA CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)NNS(=O)(=O)c1cn[nH]c1 1875258133 AERSHWBNDFJILU-TVIZTDCDSA-N 368.503 2.352 50 50 FEGA O=C(N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O)c1ccncc1 33937453 UXYCSDBHKSRQDL-APSNUPSMSA-N 365.143 2.222 50 50 FEGA COc1cc([N+](=O)[O-])ccc1C(=O)NCCSSCCC(=O)O 1875388817 RLEMPTYSSVQJRB-UHFFFAOYSA-N 360.413 2.189 50 50 FEGA N#CC1=C(N)OC(C2CC2)=C(n2cnc([N+](=O)[O-])n2)[C@H]1c1ccccc1 1063379 OEDYYQHGIJJMQT-ZDUSSCGKSA-N 350.338 2.273 50 50 FEGA COc1ccc(C)cc1NC(=S)NNC(=O)Cc1ccc([N+](=O)[O-])cc1 2852603 AZKBNPCNBWBSBD-UHFFFAOYSA-N 374.422 2.472 50 50 FEGA CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)CCC(=O)O 2789294 KCGYDAZAUJNPDH-SNVBAGLBSA-N 363.197 2.163 50 50 FEGA CCCCCCCC(=O)NNC(=O)CC(=O)Nc1ccccc1C(=O)O 8687414 ZFTCEOKHMSAOOC-UHFFFAOYSA-N 363.414 2.221 50 50 FEGA CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)CN1C(=O)[C@H]3CC=CC[C@@H]3C1=O)C2 253630093 AYMRRJAUYALEBB-VYYPFHKQSA-N 357.454 2.256 50 50 FEGA CCCCOc1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 239174399 PYGNXAANFMXGPR-XJNFMUPTSA-N 372.421 2.149 50 50 FEGA O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 822294 RPXOGUMILNQNTK-UHFFFAOYSA-N 364.155 2.432 50 50 FEGA O=C(NNP1OCCOc2ccccc2OCCO1)c1ccncc1 3122163 JNCXQSHUROKLFP-UHFFFAOYSA-N 363.310 2.048 50 50 FEGA CC1=C(C(=O)OC(C)(C)C)[C@]2(C(=O)Nc3cc(F)ccc32)C(C#N)=C(N)O1 994170 DSTICRSEOXFNOR-LJQANCHMSA-N 371.368 2.355 50 50 FEGA O=C(CN1CCSCC1)N/N=C/c1ccc(F)c(Br)c1 2821195 KLJHPZJMSFZKJA-LZYBPNLTSA-N 360.252 2.087 50 50 FEGA CC(=O)N/N=C1\C(=N)O[C@@H](c2ccc(Cl)cc2Cl)\C1=N/NC(C)=O 25585465 IPPUYZJRFKOVAP-ASXQTDFJSA-N 370.196 2.026 50 50 FEGA Cc1cc(-c2ccccc2)nc(N(C)NC(=O)C2CC2)c1S(C)(=O)=O 1404889 NLURTSVNDDUQMM-UHFFFAOYSA-N 359.451 2.338 50 50 FEGA O=C(CCc1ccc(O)c(O)c1)NNC(=S)Nc1ccc(F)cc1F 2857279 BYKVOSLGUREWIX-UHFFFAOYSA-N 367.377 2.326 50 50 FEGA CC1=C(C)C[C@H](C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2)[C@@H](C(=O)O)C1 6860540 NJMDASRBGQLYGD-PVAVHDDUSA-N 374.437 2.357 50 50 FEGA N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@@H]1c1ccncc1 4555763 AWUAPPJDSJQIIN-OAHLLOKOSA-N 359.345 2.419 50 50 FEGA C[C@@H]1CN(S(=O)(=O)c2ccc(CCCCl)cc2)CC[S@](=O)C1 225657066 GKBYKMGNBVXSAD-ASSNKEHSSA-N 363.932 2.247 50 50 FEGA Cc1cc(OCC(=O)NNC(=S)NC[C@H]2CCCO2)cc(C)c1Cl 2856776 JIUCKXBNCSDOEY-GFCCVEGCSA-N 371.890 2.010 50 50 FEGA O=C(CCN1CCN(c2ccccc2)CC1)NN=C1CCCOCCC1 2325799163 YWRRQPIQLMQLTN-UHFFFAOYSA-N 358.486 2.262 50 50 FEGA CCOC(=O)[C@@H](Br)CC[C@@H](Br)C(=O)OCC 1681230 UBCNJHBDCUBIPB-OCAPTIKFSA-N 360.042 2.420 50 50 FEGA C/C(=N/NC(=O)c1cccnc1)c1ccc(NC(=O)c2ccnn2C)cc1 5975713 UMSRXKAYQBKVLB-QRVIBDJDSA-N 362.393 2.221 50 50 FEGA CCN(CC)c1ccc(/C=N\NC(=O)c2nc3nc(C)cc(C)n3n2)cc1 32678407 QGLASOVWDQZOSC-NDENLUEZSA-N 365.441 2.351 50 50 FEGA CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)CCC(=O)O 2789293 KCGYDAZAUJNPDH-JTQLQIEISA-N 363.197 2.163 50 50 FEGA O=C(N/N=C/c1ccc(O)cc1O)C(=O)Nc1cccc(Cl)c1Cl 2521815 IKGXJSJPKYJPGY-CNHKJKLMSA-N 368.176 2.493 50 50 FEGA O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1ccccn1 711159 FGBCDFUIFACKLH-FRKPEAEDSA-N 365.143 2.222 50 50 FEGA CC/C=N/NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 4092689 BFTKPJNWKGFOCQ-RQZCQDPDSA-N 357.863 2.253 50 50 FEGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccccc1 4302344 GLJHQWFOLHMBRR-VXLYETTFSA-N 360.211 2.329 50 50 FEGA O=C(COc1ccc(Cl)cc1)NNC(=O)Nc1cccc([N+](=O)[O-])c1 4821222 DYXSLOBDOMHRJP-UHFFFAOYSA-N 364.745 2.480 50 50 FEGA Cc1ccc(OCC(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C 4867547 VVNBPJPQXLYALT-UHFFFAOYSA-N 358.354 2.443 50 50 FEGA COC(=O)[C@](O)([C@@H](Cl)C(=O)Nc1cc(F)ccc1C)C(F)(F)F 2769580 WVJXPSOUIVRWKW-JOYOIKCWSA-N 357.687 2.146 50 50 FEGA O=C(CC1C2CC3CC(C2)CC1C3)NNc1nccc(N2CCOCC2)n1 846638487 HNXBDKTUUSNBBO-UHFFFAOYSA-N 371.485 2.219 50 50 FEGA CCc1c(C(=O)NNC(=O)[C@@H](O)c2cc(F)cc(F)c2)ccc(O)c1C 43206986 SSNAPUUWBPZGOY-INIZCTEOSA-N 364.348 2.036 50 50 FEGA in-vitro CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(OCC)c2)cc1 2568408 YNELNJNQDWXVRH-UDWIEESQSA-N 371.393 2.278 50 50 FEGA O=C(O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1 239173730 OOBGVVFRNDCBEK-HKLHZYFVSA-N 354.189 2.355 50 50 FEGA O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 792811600 ZGYVRLIVPFYLRP-LKJFCDDOSA-N 361.445 2.252 50 50 FEGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(O)cc2)cc1 4360111 PVWGPDVOPILNJR-CIAFOILYSA-N 355.394 2.061 50 50 FEGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 4372577 MTYUGNQBBPWQPI-JDAJCMJVSA-N 358.310 2.421 50 50 FEGA C/C(=N\NC(=O)c1ccncc1)c1ccc(NC(=O)c2ccnn2C)cc1 17074526 RDOSJZZWKUNFOL-YDZHTSKRSA-N 362.393 2.221 50 50 FEGA O=C(Nc1cccc(Br)c1)c1ccc(B(O)O)c(Cl)c1 169744185 MTWYVIDISPOTQM-UHFFFAOYSA-N 354.396 2.035 50 50 FEGA CC1=C(C(=O)OC(C)(C)C)[C@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1 717160 NLJMEINOAREEBA-LJQANCHMSA-N 353.378 2.216 50 50 FEGA O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1cc(Cl)ccc1O 55468390 VOIIKFGCOQTMJF-RNFPGXQISA-N 357.797 2.026 50 50 FEGA Cc1ccc(OCC(=O)NNC(=S)Nc2ccc3c(c2)OCCO3)cc1 6400933 DKBVYXCXWLWFNE-UHFFFAOYSA-N 373.434 2.163 50 50 FEGA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2)C1 239165044 NJMDASRBGQLYGD-BHYGNILZSA-N 374.437 2.357 50 50 FEGA O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1c(F)cccc1Cl 5029873 FSEISVIDWGYIAT-KLHCRIRUSA-N 359.788 2.459 50 50 FEGA CCCCc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)O)nn2)cc1 221924444 XYAOSBQBFVYBHD-ZROIWOOFSA-N 353.382 2.251 50 50 FEGA O=C(N/N=C/c1ccc([N+](=O)[O-])c(O)c1)c1cncc(Br)c1 36162652 OERCPWHGUYUVBJ-FZSIALSZSA-N 365.143 2.222 50 50 FEGA COc1ccc(Br)cc1/C=N/NC(=O)Cc1cccn1C 2206055 VQPWMGWPANUKPL-LICLKQGHSA-N 350.216 2.489 50 50 FEGA O=C(N/N=C/c1cc(Br)ccc1O)C(=O)Nc1ccccc1 3008723 KXCKDLGRFXQCHN-RQZCQDPDSA-N 362.183 2.244 50 50 FEGA Cc1cc(OCC(=O)NNC(=O)c2ccc(O)cc2O)cc(C)c1Cl 669834 KEWXZNSKWNWZTN-UHFFFAOYSA-N 364.785 2.208 50 50 FEGA COc1ccc(NC(=O)NNC(=O)[C@@]2(C)CC2(Cl)Cl)cc1OC 2851349 PENGZTYQTIMEAV-CYBMUJFWSA-N 362.213 2.440 50 50 FEGA O=C(NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)O)c1ccc(OC2CCCC2)cc1 4651703 GNHYETNZFYTAIK-IRXDYDNUSA-N 372.421 2.436 50 50 FEGA O=C(N/N=C/c1cc2c(cc1Cl)OCO2)[C@H]1COc2ccccc2O1 1021063 MOESOIJTQRPEJX-HZSTWWNRSA-N 360.753 2.359 50 50 FEGA CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O1 803575 AOIKVEWPZKMMMD-INIZCTEOSA-N 374.368 2.404 50 50 FEGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C(\C)c1ccc(Br)cc1 100574557 CJVYIWCGSNAXNH-LFMVTYOGSA-N 365.231 2.191 50 50 FEGA C[C@@H]1[C@@H](N2C[C@@H](C(=O)NNC(=O)c3cccs3)CC2=O)CCC[C@H]1C 252444119 XNJHIJIQMFUKIO-RFGFWPKPSA-N 363.483 2.182 50 50 FEGA COc1cc(/C(C)=N/NC(=O)CCn2nnc3ccccc32)ccc1O 13618420 HMTOQVWBUGHNHG-XDHOZWIPSA-N 353.382 2.076 50 50 FEGA N#C/C(=C\c1ccc(Br)cc1)c1nn(CCO)c(N)c1C#N 4611000 WEIQNZDRJJMLKE-YRNVUSSQSA-N 358.199 2.156 50 50 FEGA C=CC(=O)N1CCC[C@@H](C(=O)NNC(=O)Nc2cccc3ccccc23)C1 2325889137 AQPGOUJCFJNMDV-OAHLLOKOSA-N 366.421 2.417 50 50 FEGA CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2cccs2)C(C#N)=C(N)O1 713592 IHJTZBROYGNFCY-CQSZACIVSA-N 362.407 2.326 50 50 FEGA O=C(N/N=C/c1ccncc1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 55212209 IPVYXVHLBGHVFP-FYJGNVAPSA-N 367.409 2.352 50 50 FEGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccc([N+](=O)[O-])cc1 3210663 WTCRJCJXOJQBHB-DJKKODMXSA-N 360.757 2.128 50 50 FEGA Cc1cc(OCC(=O)NNC(=S)NC[C@@H]2CCCO2)cc(C)c1Cl 2856777 JIUCKXBNCSDOEY-LBPRGKRZSA-N 371.890 2.010 50 50 FEGA Cc1nn(C)cc1NC(=S)NNC(=O)c1ccccc1Br 2799631 CKDWTWQMGPCQGW-UHFFFAOYSA-N 368.260 2.122 50 50 FEGA Cc1nnc(SCC(=O)N/N=C/c2ccncc2)n1-c1ccccc1 1207649 XUGHWMVTEPKJNR-YBFXNURJSA-N 352.423 2.213 50 50 FEGA O=C(CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1ccc([N+](=O)[O-])cc1 252494024 NIRWENBLCOOVPC-UHFFFAOYSA-N 362.254 2.429 50 50 FEGA O=C(COc1ccc(F)cc1F)NNC(=S)NCCc1ccccc1 2852541 KUUVFLLXEJMZME-UHFFFAOYSA-N 365.405 2.082 50 50 FEGA O=C(N/N=C\c1ccc(/C=N/NC(=O)c2cccnc2)cc1)c1cccnc1 31769008 QPPCHCQMEGGACV-QEUMEHMPSA-N 372.388 2.004 50 50 FEGA Cc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 19372379 SLIDDVPIMBIHLD-PXLXIMEGSA-N 350.466 2.263 50 50 FEGA CC(=O)Nc1ccc(NC(=O)C(=O)N/N=C/c2c[nH]c3ccccc23)cc1 3468221 FMZOSWBXBMBQQY-SRZZPIQSSA-N 363.377 2.215 50 50 FEGA O=C(CSCc1ccccc1F)NNC(=S)NCc1ccco1 17073188 MDBWLXDDFVFDHT-UHFFFAOYSA-N 353.444 2.347 50 50 FEGA O=C(Cc1ccc(Cl)c(Cl)c1)NNC(=S)NC[C@@H]1CCCO1 2851923 QLPVCDDMYSZULR-JTQLQIEISA-N 362.282 2.210 50 50 FEGA O=C(NNC(=O)c1cccnc1)c1ccc(NC(=O)c2ccco2)cc1 2850468 PPDMUAZWMRFBIY-UHFFFAOYSA-N 350.334 2.002 50 50 FEGA CCCOC(=O)CSC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)CC(=O)N1 9110312 RWGOAGLMOINBFW-LBPRGKRZSA-N 374.418 2.440 50 50 FEGA C/C(=N/NC(=O)c1ccco1)c1cccc(NC(=O)c2ccnn2C)c1 5826714 JWANIJISBWXYOR-MTJSOVHGSA-N 351.366 2.419 50 50 FEGA C#CCN1C(=O)/C(=N/NC(=O)COc2ccccc2Cl)c2ccccc21 18283506 UTBAKYPOBSPJEO-RELWKKBWSA-N 367.792 2.219 50 50 FEGA O=C(O)CCSSCCNC(=O)[C@@H]1CC(c2ccccc2)=NO1 1875388967 WTDAFYDLEPWRKI-ZDUSSCGKSA-N 354.453 2.152 50 50 FEGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2 1427319 IPMLGLQHGICWNB-KRWDZBQOSA-N 373.368 2.485 50 50 FEGA COc1ccc(/C=N/NC(=O)C/N=c2/sc3ccccc3n2C)cc1 5571573 OLRWRQWMBPVYRB-BMNAEWINSA-N 354.435 2.299 50 50 FEGA C=CCOc1cccc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)c1 4287460 LPYMIEHACNHJCE-LPYMAVHISA-N 351.406 2.440 50 50 FEGA C=CC(=O)Nc1ccc(O)c(C(=O)N/N=c2/sc3ccccc3n2C)c1 1875302840 IYQYVBLICRQARL-DYTRJAOYSA-N 368.418 2.316 50 50 FEGA COc1cc(Br)c(O)c(/C=N/NC(=O)c2cccnc2)c1 1392922 ONSUSFWKESANIU-CAOOACKPSA-N 350.172 2.322 50 50 FEGA CCCc1cc(C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)cs1 239302497 FJCJOGAMRAYXOZ-LWWSYDQCSA-N 362.451 2.375 50 50 FEGA COc1c(O)ccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)c1[N+](=O)[O-] 12338812 DRABVJCBEMIIGN-CAOOACKPSA-N 361.358 2.094 50 50 FEGA CN(C)c1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)cc1 1080085 LASIFEYRZNHPCV-SFHVURJKSA-N 351.454 2.329 50 50 FEGA COc1ccc(CCC(=O)N/N=C(\C)c2cccc(-n3cnnn3)c2)cc1 25761532 VGZCAOXKPPJZJB-KGENOOAVSA-N 364.409 2.144 50 50 FEGA C/C(=N\NC(=O)CN1CCN(Cc2ccccc2)CC1)c1ccccc1 19834218 YQNMPYWXABFYBW-RELWKKBWSA-N 350.466 2.345 50 50 FEGA O=C(NNC(=S)NCc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 2853310 TYELJIOXRIOYFQ-UHFFFAOYSA-N 363.826 2.378 50 50 FEGA C=CC(=O)N1CCCc2cc(C(=O)NNC(=O)c3cc(C)oc3C)ccc21 2325889380 NBTBKPQPCQCQDR-UHFFFAOYSA-N 367.405 2.436 50 50 FEGA CCOc1ccc(NC(=O)NNC(=O)Cc2ccc(OC)c(OC)c2)cc1 17076419 AXIHCBXNSMQJGQ-UHFFFAOYSA-N 373.409 2.498 50 50 FEGA N#C/C(=C\c1ccc(I)o1)C(=O)NC[C@@H]1CCCO1 854011 PRDJFEBAGQYXOE-LAHYYIKRSA-N 372.162 2.086 50 50 FEGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1 4832829 NZMVAWWLAMYNHQ-OLZOCXBDSA-N 350.334 2.171 50 50 FEGA CCOC(=O)COc1ccccc1/C=N/NC(=O)c1ccc(OC)cc1 1207294 NGEABOZXYZWTBJ-UDWIEESQSA-N 356.378 2.401 50 50 FEGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(N(C)C)cc3)[C@H]2C1 19800662 ZETKZYTXCFAOPY-RBUKOAKNSA-N 358.449 2.108 50 50 FEGA O=C(CNC(=O)c1ccccc1)N/N=C/c1ccc(Br)cc1 1954325 CUUZJWIEPMKVRR-VXLYETTFSA-N 360.211 2.329 50 50 FEGA CC(C)(C)OC(=O)N(CCOc1ccc(B(O)O)cc1F)C1CCCC1 230551484 QEMJXFBSJMXNLX-UHFFFAOYSA-N 367.226 2.064 50 50 FEGA COc1ccc(/C(C)=N/NC(=O)[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] 12343107 JAEYOZOMVZSGEL-HDZGYNCQSA-N 371.349 2.284 50 50 FEGA O=C(NNC(=O)[C@H]1CC(c2cccnc2)=NO1)Nc1ccccc1Cl 1398964 BMWPBHOFKJXAPB-CQSZACIVSA-N 359.773 2.081 50 50 FEGA Cc1cc2c(c(=O)n1Cc1cccnc1)[C@@H](c1ccco1)C(C#N)=C(N)O2 730217 LDVZSLNXVARETC-QGZVFWFLSA-N 360.373 2.411 50 50 FEGA O=C(NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)O)c1ccc(OC2CCCC2)cc1 4651705 GNHYETNZFYTAIK-IAGOWNOFSA-N 372.421 2.436 50 50 FEGA Cc1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)c([N+](=O)[O-])c1 2942033 PTQJUPCZJXLJCC-CAOOACKPSA-N 374.309 2.046 50 50 FEGA COc1ccccc1NC(=O)C(=N\Nc1ccccc1)/C(C)=N/NC(N)=O 5612651 RJULAVBVMIIWQL-IWEAGPBLSA-N 368.397 2.146 50 50 FEGA COc1ccc(-c2cc(C(=O)N/N=C3/C(=O)Nc4ccccc43)[nH]n2)cc1 2929039 BEHHHDJGGYLOFG-UHFFFAOYSA-N 361.361 2.172 50 50 FEGA COC(=O)[C@@](O)([C@H](Cl)C(=O)Nc1ccc(C)c(F)c1)C(F)(F)F 2770088 DKMUMHMORVLGCA-SKDRFNHKSA-N 357.687 2.146 50 50 FEGA C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc1 2903264 YZZKDJCPRQIKHT-DEDYPNTBSA-N 353.378 2.349 50 50 FEGA C=CCOc1ccc(Cl)cc1/C=N/NC(=O)Cc1nnc(N)s1 2969470 OVSRKWJSMAKQGC-CAOOACKPSA-N 351.819 2.031 50 50 FEGA NC(=O)c1ccc(C(=O)N/N=C/c2ccc(Br)cc2F)cc1 13321709 QUGIVGGRDLOVLN-UFWORHAWSA-N 364.174 2.451 50 50 FEGA CCOc1ccc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 19799207 AEKSTGQRWRJXSA-MOPGFXCFSA-N 359.433 2.440 50 50 FEGA O=S1(=O)C[C@@]23C=C[C@@]2(C[C@@H](Br)[C@H](Br)C3)C1 104284092 VLDYWLUXISRYSI-KYXWUPHJSA-N 356.079 2.278 50 50 FEGA NNC(=O)c1cccc(COc2ccc(I)cc2)c1 2755789 CWDQJDGIOQCBNV-UHFFFAOYSA-N 368.174 2.474 50 50 FEGA Cc1c(Br)c(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])nn1C 669114 GRTGPZKWSIRVEG-VIZOYTHASA-N 366.175 2.163 50 50 FEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(COC)c1 649232 FJGIQBUAPUKHKJ-QGZVFWFLSA-N 358.394 2.486 50 50 FEGA O=C(NNc1ncnc2nc[nH]c12)c1c[nH]nc1-c1ccc(Cl)cc1 156320908 LOPXLWWSASYLQS-UHFFFAOYSA-N 354.761 2.153 50 50 FEGA C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)CCl)CC3)cc2NC1=O 1319923383 HPLRKNNQUSYEAL-JTQLQIEISA-N 350.802 2.066 50 50 FEGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccc([N+](=O)[O-])cc1 1952851 XIEANVLEJANOKN-DJKKODMXSA-N 360.757 2.128 50 50 FEGA O=S(=O)(NC(CBr)CBr)c1ccccc1 1711123 NHBLGVSFLDKVNK-UHFFFAOYSA-N 357.067 2.123 50 50 FEGA CCCn1c(=O)c(C(=O)N/N=C/c2ccccn2)c(O)c2ccccc21 101123478 AFDYCWPOXUZAMN-CIAFOILYSA-N 350.378 2.276 50 50 FEGA c1ccc(-n2nnnc2SSc2nnnn2-c2ccccc2)cc1 2365439 CJXASCLMZSMFTL-UHFFFAOYSA-N 354.424 2.437 50 50 FEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(CN2CCOCC2)cs1 19873902 ZONCKJUIAUYDIN-QGZVFWFLSA-N 371.462 2.395 50 50 FEGA CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 239119600 IWUZBHKQTZJZBT-DARAHFNDSA-N 356.422 2.268 50 50 FEGA COc1ccc(-c2nnc(SCC(=O)NN)n2-c2ccccc2)cc1 1191528 HRQPODZHHXQKMU-UHFFFAOYSA-N 355.423 2.025 50 50 FEGA O=C(NNC(=O)C(F)(F)F)c1ccc(NC(=O)c2ccccc2)cc1 2853303 TZZJHOUSOLLTFY-UHFFFAOYSA-N 351.284 2.262 50 50 FEGA COc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1Br 2915975 CCUYRECBPDAEJI-XYOKQWHBSA-N 351.200 2.223 50 50 FEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(COC)c1 649233 FJGIQBUAPUKHKJ-KRWDZBQOSA-N 358.394 2.486 50 50 FEGA COC(=O)[C@](O)([C@H](Cl)C(=O)Nc1cc(F)ccc1C)C(F)(F)F 2769581 WVJXPSOUIVRWKW-BXKDBHETSA-N 357.687 2.146 50 50 FEGA CC[C@H](C)OC(=O)C1=C(C)O[C@@]23OC(N)=C(C#N)[C@]12C(=O)c1ccccc13 100591422 SCNMZPGXASVBBR-KAKXMVNSSA-N 366.373 2.392 50 50 FEGA Cc1ccccc1OCC(=O)N/N=C/c1c(C)[nH]n(-c2ccccc2)c1=O 252551905 UKOZDDXQQRVSCC-CIAFOILYSA-N 364.405 2.312 50 50 FEGA Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN3CCOCC3)c2C)c(C)c1 19787744 PYQXNYRXFNKONV-LPYMAVHISA-N 368.481 2.493 50 50 FEGA Cc1nn(C)cc1/C=N/NC(=O)c1ccccc1I 1002063 JIQXMHLAJMXZHS-VIZOYTHASA-N 368.178 2.097 50 50 FEGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)Cn1cnc2ccccc21 4148667 CHOLKPVMVWFAKI-UFFVCSGVSA-N 368.393 2.212 50 50 FEGA COc1ccc(O)c(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)c1 4229961 DINBECHTZYEBLH-DJKKODMXSA-N 361.785 2.451 50 50 FEGA O=C1N[C@@H]2[C@H](CCCCC(=O)Oc3ccc([N+](=O)[O-])cc3)SC[C@@H]2N1 5675610 YUDNXDTXQPYKCA-YDHLFZDLSA-N 365.411 2.226 50 50 FEGA in-vitro COc1cc(/C=N/NC(=O)c2cc(-c3ccco3)n[nH]2)cc(OC)c1OC 5489770 FSPIUICUBSCDNT-VXLYETTFSA-N 370.365 2.459 50 50 FEGA C[C@H](Cl)C(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1875380778 ZHEICDBCVWHFRU-QMMMGPOBSA-N 359.753 2.102 50 50 FEGA COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NN)c3N2)cc1 1069016 FLAPLZQYCYWYHT-NWDGAFQWSA-N 355.320 2.156 50 50 FEGA CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC=O 6956208 XJHDMDIIAGLHNP-UHFFFAOYSA-N 363.464 2.463 50 50 FEGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1cccc(OCc2ccccc2)c1 100621702 BIXBTLNGFRWBKF-IUOVYFEOSA-N 364.405 2.228 50 50 FEGA Cc1cc(/C=N/NC(=O)Cc2nnc(N)s2)c(C)n1-c1ccccc1 799476 HCEZZFNOPNBNNQ-VXLYETTFSA-N 354.439 2.221 50 50 FEGA C=CC(=O)N1CCC[C@@H](C(=O)NNC(=S)Nc2ccc(C)cc2C)C1 2325787035 XSAGTDOFTWCDCH-CQSZACIVSA-N 360.483 2.046 50 50 FEGA O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=S)Nc1ccc(F)cc1F 2852454 RFKJZURRDAUIGG-UHFFFAOYSA-N 366.349 2.433 50 50 FEGA O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1 2901284 PKNKUBOCDDAFLX-UDWIEESQSA-N 374.238 2.258 50 50 FEGA COC(=O)[C@@H]1C(=O)NC(SCC#N)=C(C#N)[C@H]1c1ccccc1Cl 2862362 ZNVJXTUBJWBTGU-OLZOCXBDSA-N 361.810 2.335 50 50 FEGA N#Cc1ccc(C(=O)NNC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 755598411 JAWRDRWUAKEAJL-UHFFFAOYSA-N 363.377 2.373 50 50 FEGA CNC(=O)[C@H](CNC(=O)[C@@H](C)Cl)Cc1ccc(C(F)(F)F)cc1 1875380665 VRJIQXVMTPJCEU-KOLCDFICSA-N 350.768 2.354 50 50 FEGA COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc(OC)c1OC 1948754 GJAVLLZZZUFPQU-YEWRBRKMSA-N 372.377 2.003 50 50 FEGA C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1O 18254993 LCWZGQANICWZMX-LICLKQGHSA-N 358.310 2.292 50 50 FEGA C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=S)NCc1ccco1 2851430 AIVFITMBTNZYBH-GFCCVEGCSA-N 359.451 2.231 50 50 FEGA Cc1ccsc1/C=N/NC(=O)CN1CCN(Cc2ccccc2)CC1 22918788 TVKUPSWHGFQZGE-DEDYPNTBSA-N 356.495 2.324 50 50 FEGA COc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(OC)c1 3121554 DVIXKRLWWUGWHU-GIJQJNRQSA-N 360.439 2.353 50 50 FEGA COC1(c2nc(C3CCOCC3)no2)CCN(C(=O)[C@@H](C)Cl)CC1 1875380330 LYBHNYTZLAIXBX-LLVKDONJSA-N 357.838 2.055 50 50 FEGA C[C@@H](Cl)C(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1875380777 ZHEICDBCVWHFRU-MRVPVSSYSA-N 359.753 2.102 50 50 FEGA C[C@H](O)CC(=O)NNC(=O)Nc1ccc(Br)cc1Cl 2850920 RVVKIXSPMONYRM-LURJTMIESA-N 350.600 2.026 50 50 FEGA CCOC(=O)NC(=O)/C(C#N)=C\Nc1c(C(=O)OCC)[nH]c2ccccc12 100219522 CSENOZWUVKZDTF-KHPPLWFESA-N 370.365 2.437 50 50 FEGA O=C(CSc1ncccn1)N/N=C/c1cccc(Br)c1 1192307 KTGHADRPWNIMBC-CAOOACKPSA-N 351.229 2.482 50 50 FEGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 2552721 BLYDWEBYHPAJPI-LPYMAVHISA-N 368.437 2.031 50 50 FEGA Cc1ccc(C(=O)O[C@H]2C(=O)OC(=O)[C@@H]2OC(=O)c2ccc(C)cc2)cc1 101017754 BCIJHROJBLWCLV-HZPDHXFCSA-N 368.341 2.138 50 50 FEGA O=C(N/N=C/c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccc(F)cc1 4210866 UICREJPLYOPKLU-QGMBQPNBSA-N 364.720 2.476 50 50 FEGA O=C(N/N=C/c1cc2c(cc1Cl)OCO2)[C@@H]1COc2ccccc2O1 1021061 MOESOIJTQRPEJX-QHBNVQQXSA-N 360.753 2.359 50 50 FEGA C#CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1cccc(Cl)c1 4210391 JXLIECFKCLMVRF-WSDLNYQXSA-N 369.808 2.232 50 50 FEGA O=C(CCl)Oc1cccc(NC2=NS(=O)(=O)c3ccccc32)c1 4123293 BLODBORCWWDPBJ-UHFFFAOYSA-N 350.783 2.392 50 50 FEGA COc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)N2CCCC2)=C1C#N 9363560 MNWVVMSVOBKPIY-AWEZNQCLSA-N 371.462 2.389 50 50 FEGA CCCCOc1ccc(C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 239174398 PYGNXAANFMXGPR-NXNVCVFFSA-N 372.421 2.149 50 50 FEGA O=C(COc1ccccc1Br)N/N=C1/C(=O)Nc2ccccc21 5093769 ASDRFOTWMCBPHN-UHFFFAOYSA-N 374.194 2.301 50 50 FEGA CCOc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccc(OC)cc1 2509142 JUZVQNVGYWUWLW-RGVLZGJSSA-N 357.366 2.315 50 50 FEGA O=C(CSc1nc2ccccc2[nH]1)NNC(=S)NC1CCCCC1 2543460 HFAORKGZTGMDLS-UHFFFAOYSA-N 363.512 2.483 50 50 FEGA Cc1nn(C)cc1[C@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CCC2 659735 RGNCTTCHKSTFFF-GOSISDBHSA-N 360.421 2.428 50 50 FEGA C/C(=N\NC(=O)c1cccc(N2CCCC2=O)c1)c1cc(O)ccc1O 5005834 ZEABYOYRTRFWFO-UDWIEESQSA-N 353.378 2.379 50 50 FEGA O=C(NNC(=O)[C@H]1CC=CC[C@H]1C(=O)O)c1ccc(OC2CCCC2)cc1 4638735 GNHYETNZFYTAIK-DLBZAZTESA-N 372.421 2.436 50 50 FEGA O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1c(F)cccc1Cl 5029867 FSEISVIDWGYIAT-QQYFKXFZSA-N 359.788 2.459 50 50 FEGA O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1cc(Cl)ccc1O 32625375 VOIIKFGCOQTMJF-LVQUCBIMSA-N 357.797 2.026 50 50 FEGA COC(=O)c1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1 1192125 KECLIFUTKJJINQ-GIJQJNRQSA-N 358.423 2.122 50 50 FEGA Cn1c(NNC(=O)c2ccco2)nc2sc3c(c2c1=O)CC(C)(C)OC3 1201073 USESIFPSGVHNOD-UHFFFAOYSA-N 374.422 2.196 50 50 FEGA CS(=O)(=O)c1ccc(C(=O)C(Br)Br)cc1 101362580 RJUPWKHOHNNHHT-UHFFFAOYSA-N 356.035 2.389 50 50 FEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 856143 GSJKHNKSVZLEAQ-OAHLLOKOSA-N 355.306 2.138 50 50 FEGA CNC(=O)[C@@H](CNC(=O)[C@@H](C)Cl)Cc1ccc(C(F)(F)F)cc1 1875380666 VRJIQXVMTPJCEU-MWLCHTKSSA-N 350.768 2.354 50 50 FEGA COc1ccc(/C(C)=N/NC(=O)CCn2nnc3ccccc32)cc1OC 12689989 YTHPRLAVPUWLFQ-DEDYPNTBSA-N 367.409 2.379 50 50 FEGA COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1O 4282170 YORBOAHFWSUJMD-DJKKODMXSA-N 361.785 2.451 50 50 FEGA CC(=O)N/N=C1\C(=N)O[C@H](c2ccc(Cl)cc2Cl)\C1=N/NC(C)=O 25585459 IPPUYZJRFKOVAP-IXSXTBJBSA-N 370.196 2.026 50 50 FEGA Cc1cc(C)cc(OCC(=O)NNC(=O)/C=C/c2ccc3c(c2)OCO3)c1 1800480 DPKVGGLOKXMQOI-GQCTYLIASA-N 368.389 2.272 50 50 FEGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 43190528 YBNSUWVKISBPMN-AWQFTUOYSA-N 374.784 2.437 50 50 FEGA CCOc1cc(/C=C(/C#N)C(N)=S)ccc1OCC(=O)N1CCCC1 5980262 AFVKDWNIMGLKFB-ZROIWOOFSA-N 359.451 2.280 50 50 FEGA CC1(CC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)OCCO1 1194185 FVMCLJBYWBRUSJ-YBFXNURJSA-N 358.350 2.248 50 50 FEGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1O 4366538 FHYJSXHLBJCHNI-HPAYWCODSA-N 359.338 2.227 50 50 FEGA CCCc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1 835800 JKDLVPCTKSGRJD-HZPDHXFCSA-N 362.426 2.056 50 50 FEGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OC)cc1 2903457 NINZFCMXSQOHJL-UDWIEESQSA-N 371.393 2.191 50 50 FEGA C/C(=N\NC(=O)c1n[nH]cc1Br)c1cccc([N+](=O)[O-])c1 820390595 PAWAMRYSAJIDII-VIZOYTHASA-N 352.148 2.234 50 50 FEGA C/C(=N/NC(=O)c1ccncc1)c1cccc(NC(=O)c2ccnn2C)c1 6212554 FWNRLTYHZQBSSJ-QRVIBDJDSA-N 362.393 2.221 50 50 FEGA CCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(OCC)cc2)cc1 2553741 GULZPACZRCULEE-LPYMAVHISA-N 369.421 2.364 50 50 FEGA C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N/NC(=O)c1ccc(O)cc1 4964003 VJUABSUUHAFFFR-ODLFYWEKSA-N 356.338 2.435 50 50 FEGA COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)c(OC)c1OC 3903169 JJEXCEBXBPQICN-VXLYETTFSA-N 360.414 2.497 50 50 FEGA O=C(CN1CCCCCCC1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 875238 KFGOFEDJRINGGR-VCHYOVAHSA-N 362.386 2.040 50 50 FEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1 4229222 WWEFRFNTCGYDPQ-CIAFOILYSA-N 362.389 2.179 50 50 FEGA CC1(C)OC(=O)C(=C2[C@@H]3[C@H]4[C@@H](Br)[C@@H]5[C@H]2[C@H]2C[C@@H]5[C@@H]4[C@H]32)C(=O)O1 245227644 RJGIOBOOMIYNRD-KBXWPGTFSA-N 365.223 2.270 50 50 FEGA CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccncc1 4842506 YWSADKKRHARWGI-UHFFFAOYSA-N 364.199 2.318 50 50 FEGA COc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(F)cc3)CC2=O)cc1 1210697 NROWJFMZMXREJN-FVUPAENESA-N 355.369 2.338 50 50 FEGA O=C(NNC(=S)Nc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16211179 KDTZBRCTFMHXLX-UHFFFAOYSA-N 361.339 2.134 50 50 FEGA Cc1cc(C(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccccc32)n[nH]1 2269568 NOGZPHSWNCPRDC-CLCOLTQESA-N 373.416 2.442 50 50 FEGA O=C(Nc1ccc(F)cc1)[C@H](Br)[C@H](Br)C(=O)O 1737986 LMZKMNORDXLHAZ-SFYZADRCSA-N 368.984 2.376 50 50 FEGA C=CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(OC)cc1 4287418 LCPCAJQHASSSFV-LPYMAVHISA-N 367.405 2.140 50 50 FEGA Cc1ccc(Cl)c(O[C@@H](C)C(=O)NNC(=S)NC[C@H]2CCCO2)c1 6844604 QWEZFQIJTWZPFK-NWDGAFQWSA-N 371.890 2.090 50 50 FEGA CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(F)cc2)cc1 6487975 RYQRLVCDOCIQIQ-UHFFFAOYSA-N 361.398 2.174 50 50 FEGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC)c2)cc1 2553152 JHEBVAVISGBASW-LPYMAVHISA-N 369.421 2.364 50 50 FEGA C=CCN1C(=O)/C(=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 1500635 LCBFNRHPNDGBHH-MNDPQUGUSA-N 350.334 2.262 50 50 FEGA O=C(NNC(=O)c1ccccc1Br)c1ccc([N+](=O)[O-])cc1 711525 YBSODQSZEYLXRK-UHFFFAOYSA-N 364.155 2.432 50 50 FEGA COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 2565297 JSYQEIPSSUNZRL-VXLYETTFSA-N 359.769 2.215 50 50 FEGA O=C(Cc1cccnc1)NNC(=O)N1CC=C(c2ccc(F)cc2)CC1 170621231 ABNHDWKFIWJPTR-UHFFFAOYSA-N 354.385 2.293 50 50 FEGA CCc1cc(C(=O)OC)c(NC(=S)NNC(=O)c2ccccn2)s1 6708532 UCIGXEBJYJJSSA-UHFFFAOYSA-N 364.452 2.124 50 50 FEGA O=C(O)CCSSCCNC(=O)[C@H]1CC(c2ccccc2)=NO1 1875388966 WTDAFYDLEPWRKI-CYBMUJFWSA-N 354.453 2.152 50 50 FEGA COC(=O)/C(CC(=O)c1ccc(N(C)C)cc1)=N/NC(=O)c1ccccc1 16675682 LZBCNERGFNWYKC-HEHNFIMWSA-N 367.405 2.284 50 50 FEGA O=C(C[n+]1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1)c1ccccc1 2896827 HJSDVDHEJGHSNE-UHFFFAOYSA-O 360.393 2.327 50 50 FEGA O=C(N/N=C/c1cc(I)ccc1O)c1ccccn1 1193014 VKMQPNGEZDDDTP-LZYBPNLTSA-N 367.146 2.156 50 50 FEGA O=S1(=O)C[C@@]23C=C[C@@]2(C[C@H](Br)[C@H](Br)C3)C1 101037960 VLDYWLUXISRYSI-FIRGSJFUSA-N 356.079 2.278 50 50 FEGA COc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(O)cc1 4828956 XGALFRHVHWSCND-UHFFFAOYSA-N 365.183 2.238 50 50 FEGA COC(=O)Nc1ccc(C(=O)NCCSSCCC(=O)O)cc1 1875388632 JMFXWKHENXZEJU-UHFFFAOYSA-N 358.441 2.451 50 50 FEGA O=C(O)COc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2)n[nH]1 1196903 QEKJKPYMXWACRC-RGVLZGJSSA-N 364.361 2.304 50 50 FEGA Cc1cc(OCC(=O)NNC(=O)c2ccco2)ccc1Br 1211769 QXNNEOGOYOMTRO-UHFFFAOYSA-N 353.172 2.191 50 50 FEGA CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2ccccc2F)C(C#N)=C(N)O1 680206 LJEFQEIYSKQWTE-INIZCTEOSA-N 374.368 2.404 50 50 FEGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccc(N2CCCC2=O)c1 61869187 LQSARCWOKLSTSM-YBFXNURJSA-N 368.349 2.191 50 50 FEGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1Cl 3072817 BEVPBXDSXOVUMO-UFWORHAWSA-N 359.769 2.466 50 50 FEGA Cc1cc(Br)c2c(c1)/C(=N/NC(=O)c1cccnc1)C(=O)N2 5613568 JQTJFHCOQBQNDX-UHFFFAOYSA-N 359.183 2.239 50 50 FEGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(F)cc2)cc1 2553809 DQUKJHHNBYSBBI-WSDLNYQXSA-N 357.385 2.495 50 50 FEGA CCOC(=O)c1nc(NNC(=O)c2ccc([N+](=O)[O-])cc2)sc1C 3275622 GRFPHNGXYHSIEZ-UHFFFAOYSA-N 350.356 2.293 50 50 FEGA C[C@@H](O)CC(=O)NNC(=O)Nc1ccc(Br)cc1Cl 2850921 RVVKIXSPMONYRM-ZCFIWIBFSA-N 350.600 2.026 50 50 FEGA O=C(N/N=C/c1cccc(O)c1)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 9043817 QFLJOPDMMYHIPU-VCHYOVAHSA-N 351.322 2.454 50 50 FEGA COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c1 4199149 XJMPKHGUBPFTIB-VXLYETTFSA-N 361.785 2.446 50 50 FEGA CC1(C)OC(=O)C(=C2[C@@H]3[C@H]4[C@@H]5C[C@@H]3[C@H]3[C@H]5[C@@H](Br)[C@@H]4[C@H]23)C(=O)O1 245227895 XTUXTICCGOUWQU-YFCRIRGYSA-N 365.223 2.270 50 50 FEGA O=C(NN=Cc1ccc(O)cc1O)c1cc(Br)ccc1O 254392771 BUCBVDMDGFRJDG-UHFFFAOYSA-N 351.156 2.330 50 50 FEGA COc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 1054575 CHCBMXIQARGYMK-VCHYOVAHSA-N 359.338 2.385 50 50 FEGA CC(C)(C)OC(=O)NNC(=O)c1cccc(I)c1 2962818 DYHIOXIOLFMFAS-UHFFFAOYSA-N 362.167 2.461 50 50 FEGA O=C(Nc1ccc(Br)cc1)c1ccc(Cl)c(B(O)O)c1 169744378 XSISNFIXKCWOAQ-UHFFFAOYSA-N 354.396 2.035 50 50 FEGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1C 4259329 GIAYRLUBBKLJGB-KEBDBYFISA-N 356.378 2.296 50 50 FEGA CC1(C)C(c2ccccc2)=[N+]([O-])[C@]2(CCCCC/C2=N\NC(N)=O)N1O 15685806 QPLIWSVYQNJRMR-SQVRNEIYSA-N 359.430 2.154 50 50 FEGA Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2C[C@H]2c2cccnc2)c1C 242302269 YQYGFLQMGAYMHM-PVAVHDDUSA-N 353.422 2.417 50 50 FEGA COc1cc(/C=N/NC(=O)c2n[nH]c3c2CCCC3)cc(OC)c1OC 1791449 AMNKATIANUGNSH-VXLYETTFSA-N 358.398 2.078 50 50 FEGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3cccn3C)n[nH]2)c1 5126163 OXIZNPDKXFOVCS-YBFXNURJSA-N 353.382 2.196 50 50 FEGA Cc1cc(C)c(S(=O)(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 1215040 AWJZTHMWOSFTEM-UHFFFAOYSA-N 363.395 2.143 50 50 FEGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2C)ccc1O 2911234 ARLVGXDAIPLLIK-RGVLZGJSSA-N 355.394 2.497 50 50 FEGA CCOC(=O)/C(=N\NC(=O)OC(C)(C)C)C(=O)COCc1ccccc1 261507035 DQQSTIJWYUTCMK-CYVLTUHYSA-N 364.398 2.216 50 50 FEGA C=CC(=O)N1CCC[C@H](C(=O)NNC(=O)Nc2cccc3ccccc23)C1 2325889136 AQPGOUJCFJNMDV-HNNXBMFYSA-N 366.421 2.417 50 50 FEGA CC[N+](CC)=C1S[C@@H]2CS(=O)(=O)[C@H](Br)[C@]2(C)S1 4371335 FRMKYBPDTMRMMI-KHQFGBGNSA-N 359.356 2.151 50 50 FEGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)c(OC)c1OC 43761015 WWXZXJLQFZSMMV-RGVLZGJSSA-N 371.393 2.110 50 50 FEGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/C=C/c1ccco1 19879681 GJORQZSZENSKHG-VCCUMRARSA-N 352.438 2.213 50 50 FEGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3OC)[C@@H]2C1 33935418 LGKACOQOJXRNEC-MJGOQNOKSA-N 359.433 2.440 50 50 FEGA O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(O)cc1O 731185 FPJBVQALPNLPGY-FRKPEAEDSA-N 351.156 2.330 50 50 FEGA CN1C(=O)/C(=N\NC(=O)c2cccc(O)c2)c2cc(Br)ccc21 5648785 ZLPUYYOFUGJEMY-JXAWBTAJSA-N 374.194 2.265 50 50 FEGA CC(C)NNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 5498234 XNFCDYVZVWQJRR-ATVHPVEESA-N 368.393 2.395 50 50 FEGA CC(C)(C)c1ccc(C(=O)NNC(=O)C(=O)NCc2ccccc2)cc1 4992217 AJPHDPKPTGHJRP-UHFFFAOYSA-N 353.422 2.062 50 50 FEGA N#CC1=C(N)Oc2ccccc2[C@@]12C(=O)Nc1[nH]nc(-c3ccccc3)c12 13124613 MVHQNQJELPNVRY-HXUWFJFHSA-N 355.357 2.401 50 50 FEGA O=C(Nc1ccccc1)SCC[Si]12OCCN(CCO1)CCO2 169797617 RAKOWVYFOLFUJI-UHFFFAOYSA-N 354.504 2.270 50 50 FEGA CC(C)(C)[Si](C)(C)OCCN1CCN(CC(=O)N2CCCC2)CC1 225675476 GXFJJHUEMVVGJI-UHFFFAOYSA-N 355.599 2.248 50 50 FEGA COC(=O)c1cc(C)sc1NC(=S)NNC(=O)Cc1cccs1 17075771 YTJYRRGZPDIXSJ-UHFFFAOYSA-N 369.493 2.465 50 50 FEGA N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@]12C(=O)Nc1ccccc12 1273514 NRFCYYMHPYBHEX-SFHVURJKSA-N 361.386 2.463 50 50 FEGA Cc1cccc2c1NC(=O)[C@@]21C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 1431303 CMQPZLBLUZFQMT-OAQYLSRUSA-N 371.352 2.426 50 50 FEGA biogenic,in-vitro O=C(CCl)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 1875374815 GCXUIAMMKYYSPO-SECBINFHSA-N 352.637 2.023 50 50 FEGA COc1ccc(NC(=O)CC/C(CC(=O)C(C)(C)C)=N/NC(N)=O)cc1 5495949 KGODBSODWXCJLE-BKUYFWCQSA-N 362.430 2.444 50 50 FEGA COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)c1O 4282856 QQDUVAIYDUKNCL-DJKKODMXSA-N 361.785 2.451 50 50 FEGA CCCn1c(=O)c(C(=O)N/N=C/c2cccnc2)c(O)c2ccccc21 101120118 IMOBDZCWQKGACF-CIAFOILYSA-N 350.378 2.276 50 50 FEGA O=C(O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc1 100911014 OOBGVVFRNDCBEK-GRRRKWKPSA-N 354.189 2.355 50 50 FEGA CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1oc(CO)cc2=O 1421790 JHJDIXYLDXIYLE-MRXNPFEDSA-N 354.362 2.137 50 50 FEGA CON1CCC(CC(=O)NNC(=O)c2cc(F)c(F)cc2Cl)CC1 1875267782 HOPJZXVEHZBMSO-UHFFFAOYSA-N 361.776 2.043 50 50 FEGA O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 12338832 NHQIDOXOFBWQAN-DJKKODMXSA-N 350.334 2.275 50 50 FEGA C=CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(F)cc1 2553805 ABVJRGIURSLMFS-WSDLNYQXSA-N 355.369 2.271 50 50 FEGA CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/C(Br)=C/c1ccccc1 100609637 YYVMBDLAXSTWTQ-NNIDHPOHSA-N 363.215 2.036 50 50 FEGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)C(=O)Nc1ccc(Cl)cc1 38175573 DSKOIIUVVCFSRH-CAOOACKPSA-N 362.729 2.043 50 50 FEGA O=C(Cn1nnc2ccccc21)N/N=C/c1ccccc1Br 4263902 SEWAISBSLLUUBU-RQZCQDPDSA-N 358.199 2.344 50 50 FEGA COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC 1947983 LAHCRXFEOLBHOH-RQZCQDPDSA-N 374.309 2.284 50 50 FEGA O=C(NNC(=O)[C@H]1CC=CC[C@H]1C(=O)O)c1ccc(Cl)cc1Cl 6220087 ZXWJKONGKCQTQP-VHSXEESVSA-N 357.193 2.421 50 50 FEGA C/C(=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cc(O)ccc1O 828909213 XOELQEMWSVXEKQ-LZYBPNLTSA-N 360.282 2.068 50 50 FEGA COc1ccc(C)cc1NC(=O)NNC(=O)Cc1ccccc1[N+](=O)[O-] 2858490 YBBZVSRKWUVKSY-UHFFFAOYSA-N 358.354 2.307 50 50 FEGA CCOc1ccc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 19799211 AEKSTGQRWRJXSA-OALUTQOASA-N 359.433 2.440 50 50 FEGA CCn1c(SCC(=O)NN)nnc1[C@@H]1C[C@H]1c1ccc(Cl)cc1 2732067 AAVCCTUSLWZLMF-NWDGAFQWSA-N 351.863 2.305 50 50 FEGA Cc1ccc(OCC(=O)NNC(=O)c2ccco2)c(Br)c1 5030138 GZSDYJWAAFHCHY-UHFFFAOYSA-N 353.172 2.191 50 50 FEGA O=C(O)[C@H](Br)[C@H](Br)C(=O)Nc1ccc(F)cc1 1737993 LMZKMNORDXLHAZ-JGVFFNPUSA-N 368.984 2.376 50 50 FEGA O=S1(=O)C[C@@]23C=C[C@@]2(C[C@H](Br)[C@@H](Br)C3)C1 101037961 VLDYWLUXISRYSI-AATLWQCWSA-N 356.079 2.278 50 50 FEGA C[C@H](Cl)C(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1875375943 KDKXGWLGLIJVFV-AAEUAGOBSA-N 371.869 2.094 50 50 FEGA CC1(C)C(c2cccs2)=[N+]([O-])[C@]2(CCCCC/C2=N\NC(N)=O)N1O 13154508 HHYSFZQRRDZRQT-YAJBTMAUSA-N 365.459 2.216 50 50 FEGA O=C(Cc1ccncc1)NNC(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 187130333 KWPQOHKJSPDRQA-MSOLQXFVSA-N 352.438 2.366 50 50 FEGA O=C(Cn1ccc2ccccc21)NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41 793438696 GWMQVMHBTSXYHO-ZCHBXKNESA-N 361.445 2.183 50 50 FEGA O=C(O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)c1 245309092 ASVKLUWKYSBFHR-DZDPUUJWSA-N 354.189 2.355 50 50 FEGA COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(C)=O 668275 QQBLQCSLIFJZAH-VCHYOVAHSA-N 357.322 2.293 50 50 FEGA N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCS(=O)(=O)C1 1449221 VPFDRDWNHUDJKZ-SBKJXLNCSA-N 359.234 2.204 50 50 FEGA O=C1Nc2ccccc2/C1=N\NC(=O)[C@@H]1COc2cc3ccccc3cc2O1 5650330 MFMBRHUUKFQEQA-SFHVURJKSA-N 373.368 2.452 50 50 FEGA C[C@H](Oc1cccc(C#N)c1)C(=O)NCCSSCCC(=O)O 1875388902 UVXTUKBOKAVPAO-NSHDSACASA-N 354.453 2.298 50 50 FEGA Cc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])c(O)c2)c([N+](=O)[O-])c1 35327928 ILHUPJVVMNKNQI-CAOOACKPSA-N 374.309 2.046 50 50 FEGA CCOc1ccccc1OCC(=O)NNC(=S)NC1CCCCC1 13496947 BGYLITKFRZYCMQ-UHFFFAOYSA-N 351.472 2.292 50 50 FEGA C=CCOc1cccc(/C=N/NC(=O)CNC(=O)c2ccccc2C)c1 4347428 NJXMJJWUUDWJSM-LPYMAVHISA-N 351.406 2.440 50 50 FEGA COC(=O)C[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169835336 IYARNAWKJBPAJQ-KRWDZBQOSA-N 372.537 2.487 50 50 FEGA O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCCCl)c2[N+](=O)[O-] 4619057 LDGBNQLPQDXJDU-UHFFFAOYSA-N 358.737 2.339 50 50 FEGA CCc1[nH]nc2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 4168441 NAXCKDUFWJOUNY-CQSZACIVSA-N 356.382 2.216 50 50 FEGA Cc1cccc(C)c1OCC(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 1233308 WDHALLBDPGWXSU-UFWORHAWSA-N 371.349 2.469 50 50 FEGA CC1(C)[C@@H](C(=O)NNC(=O)[C@H]2C[C@H]2c2ccccc2)CC[C@]1(C)C(=O)O 827706422 APRQOBUSTWEJQX-UJKGCTCZSA-N 358.438 2.465 50 50 FEGA O=C(CCN1CCCCC1)SC(=S)NNC(=O)c1ccccc1O 109391716 VDVXRVBZHBOOFV-UHFFFAOYSA-N 367.496 2.047 50 50 FEGA COC(=O)C1=C(C(=O)OC)[C@H](C)[C@@H](Br)[C@H](Br)C1 104300838 DBVSWOHRPCYBOW-MTQIGAJGSA-N 370.037 2.196 50 50 FEGA COC(=O)c1c(NC(=S)NNC(=O)c2cccnc2)sc(C)c1C 8300307 HPJGHYAEVVFUQZ-UHFFFAOYSA-N 364.452 2.178 50 50 FEGA O=C(Nc1ccc(Br)cc1F)c1ccc(B(O)O)c(Cl)c1 169744435 UVYFJOWCVKSZNL-UHFFFAOYSA-N 372.386 2.174 50 50 FEGA O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42 792811603 ZGYVRLIVPFYLRP-YNSBBLKHSA-N 361.445 2.252 50 50 FEGA COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OC)c2C(=O)O)cc1 5031191 LIELOMDJQIRVOV-VXLYETTFSA-N 358.350 2.175 50 50 FEGA CC[N+](CC)=C1S[C@@H]2CS(=O)(=O)[C@H](Br)[C@@]2(C)S1 13303184 FRMKYBPDTMRMMI-WEDXCCLWSA-N 359.356 2.151 50 50 FEGA C=CCOc1cccc(/C=N/NC(=O)CNC(=O)c2ccc(OC)cc2)c1 4302559 ZYTWEUOSQBABKH-LPYMAVHISA-N 367.405 2.140 50 50 FEGA CC(=O)c1cccc(NC(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 2851108 CNGLWQFIJNZTHC-UHFFFAOYSA-N 356.338 2.193 50 50 FEGA C[C@@]1(C(=O)N/N=C/c2cccnc2)CC1(Br)Br 2110826 ZUKMBGONWNFDNH-JFEKIERCSA-N 361.037 2.428 50 50 FEGA O=C(NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 2865090 DEMBSCUBKPNZOZ-UHFFFAOYSA-N 364.701 2.231 50 50 FEGA COC/C(=N\NC(=O)COc1ccc(C#N)cc1)c1ccc(F)c(F)c1 222126182 KVHOHOJRRYUNGC-OQKWZONESA-N 359.332 2.382 50 50 FEGA COc1cc([C@H]2c3cc(O)c(OC)cc3C=C(C=O)[C@@H]2CO)ccc1O 14435292 PATMJUOZIPKVAS-YWZLYKJASA-N 356.374 2.451 50 50 FEGA biogenic,in-vitro CCOc1ccc(NC(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 2853002 LUEMKHDVRAUBMJ-UHFFFAOYSA-N 358.354 2.389 50 50 FEGA C[C@@H]1CCc2c(C(=O)NNC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)csc2C1 239030830 CJLURVPBDUPPMU-VIYUNQGVSA-N 374.462 2.157 50 50 FEGA C[C@@]1(C(=O)NNC(=S)Nc2ccc3c(c2)OCO3)CC1(Cl)Cl 2852783 CVZFDAHOTMXVEF-LBPRGKRZSA-N 362.238 2.317 50 50 FEGA CCOc1cc(/C=N/NC(=O)CCn2nnc3ccccc32)ccc1O 1469430 YEXQRNMISYWOMW-XDHOZWIPSA-N 353.382 2.076 50 50 FEGA O=C(N/N=C/c1ccccc1O)C(=O)Nc1cccc(C(F)(F)F)c1 2892388 KUYDPUSTGGFDAV-AWQFTUOYSA-N 351.284 2.500 50 50 FEGA O=S(=O)(c1cccc(B(O)O)c1)N(C1CCCCC1)C1CCCCC1 169744298 PECBANZNZRTDHD-UHFFFAOYSA-N 365.304 2.023 50 50 FEGA CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccc([N+](=O)[O-])cc1 1297418 ZCDVRUVGHFGWBF-ZDUSSCGKSA-N 363.757 2.458 50 50 FEGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OCC)cc1 4283519 XIDCNXPWRWLKAJ-LPYMAVHISA-N 369.421 2.364 50 50 FEGA C[C@@H](Oc1cccc(C#N)c1)C(=O)NCCSSCCC(=O)O 1875388901 UVXTUKBOKAVPAO-LLVKDONJSA-N 354.453 2.298 50 50 FEGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(N(C)C)cc3)[C@H]2C1 5199824 ZETKZYTXCFAOPY-OALUTQOASA-N 358.449 2.108 50 50 FEGA Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN2CCOCC2)c1C 19787683 CYQUQWGUVYAZCV-FYJGNVAPSA-N 354.454 2.185 50 50 FEGA C[C@@H](CC(=O)NN=c1ccc2nncn2[nH]1)c1ccc(C(F)(F)F)cc1 2325776107 MOYQGYWHOVSFIQ-JTQLQIEISA-N 364.331 2.202 50 50 FEGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(O)c2)cc1 4259470 PYQOTYASUYEEQC-LPYMAVHISA-N 369.421 2.451 50 50 FEGA COc1cc(C(=O)NNC(=O)Nc2cccc(C)c2)cc(OC)c1OC 13610598 NDOMSDASIOWVPM-UHFFFAOYSA-N 359.382 2.487 50 50 FEGA COc1ccnc(N)c1C(=N)NNC(=O)c1ccc(Cl)cc1Cl 6294968 LLOCKOHFVFMXKI-UHFFFAOYSA-N 354.197 2.239 50 50 FEGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cc(-c2ccccc2)n[nH]1 5029512 MZWPFYXEGCXONZ-VCHYOVAHSA-N 351.322 2.454 50 50 FEGA O=C(Nc1ccccc1Br)c1ccc(B(O)O)c(Cl)c1 169744309 XQLFNFGSSQVLSA-UHFFFAOYSA-N 354.396 2.035 50 50 FEGA COc1ccccc1OCC(=O)N/N=C/c1cc2ccccc2[nH]c1=O 4229213 KLTKDDFXBNGCJO-RGVLZGJSSA-N 351.362 2.066 50 50 FEGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)Nc1ccccc12 714335 LVMGNROSSQSESR-FQEVSTJZSA-N 357.325 2.117 50 50 FEGA COC(=O)c1ccc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)cc1 4210640 AECBJFMPWPXDTP-UFFVCSGVSA-N 373.796 2.007 50 50 FEGA COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1OC 1948758 GJAVLLZZZUFPQU-MZYRPWKCSA-N 372.377 2.003 50 50 FEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(Cn2cncn2)cs1 4743755 ADVDMOOKBSACGF-HNNXBMFYSA-N 371.422 2.033 50 50 FEGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccccc1C(F)(F)F 1427935 PCNCVJTXAMLVAY-ZDUSSCGKSA-N 364.279 2.369 50 50 FEGA C[C@H](Cl)C(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1875375945 KDKXGWLGLIJVFV-WCQYABFASA-N 371.869 2.094 50 50 FEGA COc1ccc(C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1OC 2911629 VLULEZNJXBJBMJ-RGVLZGJSSA-N 374.393 2.494 50 50 FEGA O=C(NNC(=O)c1cc2c(s1)CCOC2)c1cc(-c2cccs2)n[nH]1 152321651 HNLQXEVOWMKBAK-UHFFFAOYSA-N 374.447 2.347 50 50 FEGA CC1(C)C(c2ccccc2)=[N+]([O-])[C@@]2(CCCCC/C2=N\NC(N)=O)N1O 5059247 QPLIWSVYQNJRMR-OFBHVFLISA-N 359.430 2.154 50 50 FEGA CC(C)(O)O[C@@H]1C[C@H]2CS(=O)(=O)C[C@@]2(c2ccccc2)C[C@@H]1Cl 71785942 OQISDUCVCAAQID-LJIGWXMPSA-N 358.887 2.484 50 50 FEGA CCOc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1 4209863 PLJRIJXZHALXAZ-RGVLZGJSSA-N 359.357 2.322 50 50 FEGA O=S1(=O)C[C@@]23C=C[C@@]2(C[C@@H](Br)[C@@H](Br)C3)C1 104284088 VLDYWLUXISRYSI-YNFQOJQRSA-N 356.079 2.278 50 50 FEGA CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2ccccc2)C(C#N)=C(N)O1 1196027 VHXHMWSPAVOSRV-INIZCTEOSA-N 356.378 2.265 50 50 FEGA C=CC(=O)Nc1cccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C(C)(C)C)c1 1875367605 UTPIUOIORPMEAJ-GDBMZVCRSA-N 359.426 2.023 50 50 FEGA COc1cccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c1OC 691449 UCXZYSYHXNSSLT-KRWDZBQOSA-N 368.437 2.281 50 50 FEGA O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 2755903 IVQDSZAZYDJQJE-UHFFFAOYSA-N 364.155 2.432 50 50 FEGA COC(=O)[C@@](O)([C@@H](Cl)C(=O)Nc1ccc(C)c(F)c1)C(F)(F)F 2770087 DKMUMHMORVLGCA-CABZTGNLSA-N 357.687 2.146 50 50 FEGA CCN1CC=C2[C@@H](C1)[C@@H](c1ccccc1OC)C(C#N)=C(N)C2(C#N)C#N 19831964 JBRHDFRKSIJXIR-APWZRJJASA-N 359.433 2.440 50 50 FEGA COc1ccc(NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2C)cc1OC 1120209 BBEHIKRBUYDWSU-UHFFFAOYSA-N 374.353 2.387 50 50 FEGA C[C@H](Cl)C(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 1875364200 JTNFCIGOGUNGCT-QWRGUYRKSA-N 364.829 2.455 50 50 FEGA CC[C@H](Br)C(=O)Nc1ccc(S(=O)(=O)/N=C(/C)O)cc1 74941504 CPDKMTMLQLGNQX-NSHDSACASA-N 363.233 2.464 50 50 FEGA COC(=O)c1c(NC(=S)NNC(=O)c2ccco2)sc(C)c1C 17073181 LFAYTPYSHPZOKC-UHFFFAOYSA-N 353.425 2.376 50 50 FEGA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)[C@@H](C)Oc2ccc(C)cc2)C1 239184843 RBYRTEQNZYTXLD-HYVNUMGLSA-N 374.437 2.357 50 50 FEGA COc1cc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)cc(OC)c1OC 2371575 IGXHKZXDJMPNBN-VXLYETTFSA-N 360.414 2.135 50 50 FEGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2O)cc1 4260092 CIEDTHBSZWTQTF-LPYMAVHISA-N 369.421 2.451 50 50 FEGA COc1cc(/C=N/NC(=O)CCC(=O)Nc2ccccc2OC)ccc1O 5662164 HMJFHODIFRNITQ-UDWIEESQSA-N 371.393 2.278 50 50 FEGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC)cc2)cc1 2553487 FRDLWELQZOPIMD-LPYMAVHISA-N 369.421 2.364 50 50 FEGA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2)C1 239165045 NJMDASRBGQLYGD-HYVNUMGLSA-N 374.437 2.357 50 50 FEGA COCCOc1cnc(SSc2ncc(OCCOC)cn2)nc1 4529658 VTUPBUKBISPMKP-UHFFFAOYSA-N 370.456 2.116 50 50 FEGA COc1ccccc1NC(=S)NNC(=O)c1nn(C)c(C)c1Cl 8828945 DNDVNEXGLGWEFR-UHFFFAOYSA-N 353.835 2.022 50 50 FEGA CCCc1cc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cs1 138815152 OELIUHSQZBEFSD-DUBDDPSESA-N 350.440 2.209 50 50 FEGA Cc1cccc(-n2cnc(C(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)c2)n1 29763964 HCBXHKGPDQMSCM-OCKHKDLRSA-N 350.338 2.248 50 50 FEGA O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)Nc1ccccc1Cl 13322193 JKVIBCDNOOWNLJ-UHFFFAOYSA-N 364.745 2.480 50 50 FEGA O=C(NNC(=S)NC[C@@H]1CCCO1)c1cc2c(s1)CCCCC2 5062926 AHANQEJMXCZOIX-LBPRGKRZSA-N 353.513 2.305 50 50 FEGA C=CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(OC)cc1 4335779 GDXNQHFDQDUIOP-DEDYPNTBSA-N 353.378 2.349 50 50 FEGA Cc1ccc(-c2csc(COc3cccc(B(O)O)c3C=O)n2)cc1 2325825809 CPQGEZHHZGXUSL-UHFFFAOYSA-N 353.208 2.190 50 50 FEGA CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 239119601 IWUZBHKQTZJZBT-WMHQRMGPSA-N 356.422 2.268 50 50 FEGA Cc1nn(C)cc1/C=N/NC(=O)[C@@H](C)Nc1ccc(Br)cc1 1066672 GFRYAYBAYBGIEM-SXGUVYOMSA-N 364.247 2.442 50 50 FEGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(OC)c(OC)c1 3474708 HZWIVVSPPCMZGO-RGVLZGJSSA-N 374.393 2.494 50 50 FEGA O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42 792811596 ZGYVRLIVPFYLRP-IPNWYOHZSA-N 361.445 2.252 50 50 FEGA O=C(Nc1ccccc1Br)c1ccc(Cl)c(B(O)O)c1 169744168 BBINAYMVCKJXKD-UHFFFAOYSA-N 354.396 2.035 50 50 FEGA CCOc1nc(N(N)C(N)=O)nc(N(c2ccccc2)c2ccccc2)n1 1446072 HTLNNXICDRODJA-UHFFFAOYSA-N 365.397 2.499 50 50 FEGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C1CCCC2=O 1151916 PNOQQXYXYZAMIY-MRXNPFEDSA-N 353.382 2.172 50 50 FEGA COc1ccc(CC(=O)NNC(=O)c2cccc(Br)c2)cc1 1230107 WLINGUUFZZWONW-UHFFFAOYSA-N 363.211 2.461 50 50 FEGA C/C(=N\NC(=O)COc1cccc(C)c1C)c1cccc(-n2cnnn2)c1 25761799 XZXRSOZDBNKSAW-RCCKNPSSSA-N 364.409 2.198 50 50 FEGA Cc1ccc(Cl)c(O[C@H](C)C(=O)NNC(=S)NC[C@H]2CCCO2)c1 6844623 QWEZFQIJTWZPFK-VXGBXAGGSA-N 371.890 2.090 50 50 FEGA COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1 2902173 BOFBUKYGCTYWEJ-RGVLZGJSSA-N 355.394 2.409 50 50 FEGA COc1ccccc1NC(=O)CCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 5662167 AJGWKOUCHSAREJ-XDHOZWIPSA-N 370.365 2.472 50 50 FEGA O=C(Nc1ccc(F)cc1Br)c1ccc(Cl)c(B(O)O)c1 169744055 RMZMFVDYPJIIMT-UHFFFAOYSA-N 372.386 2.174 50 50 FEGA NNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1cccs1 867406 WFBCTDHOBSETFR-DHZHZOJOSA-N 366.240 2.271 50 50 FEGA COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 18190130 AZEMSZIDFYKEHE-UHFFFAOYSA-N 369.421 2.392 50 50 FEGA C[C@H](Cl)C(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 1875370302 JRFKYJWQVXLLCA-LYFYHCNISA-N 354.678 2.214 50 50 FEGA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)[C@H](C)Oc2ccc(C)cc2)C1 239184842 RBYRTEQNZYTXLD-BHYGNILZSA-N 374.437 2.357 50 50 FEGA O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1ccc(F)cc1 1210618 LQTPEKMLNBNDLO-VCHYOVAHSA-N 356.386 2.044 50 50 FEGA COc1ccc(C(=O)N/N=C(/Cc2ccccc2[N+](=O)[O-])C(=O)O)cc1 4950545 SYVUOEDZDPDSMW-JXAWBTAJSA-N 357.322 2.017 50 50 FEGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 4230311 JQVIOYXXWQDZGJ-DEDYPNTBSA-N 354.410 2.240 50 50 FEGA CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 4642178 SEPAGIBJDRPENU-INIZCTEOSA-N 372.406 2.098 50 50 FEGA CCNC(=S)NNC(=O)c1cccc(COCC(F)(F)C(F)F)c1 2755232 DGAJWMUOHHHUSY-UHFFFAOYSA-N 367.368 2.232 50 50 FEGA O=C(NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc(Cl)c1 2864989 PNWWKIAAWUUBKA-UHFFFAOYSA-N 364.701 2.231 50 50 FEGA COc1ccc(CC(=O)NNC(=S)Nc2ccc3c(c2)OCCO3)cc1 6398015 WGQVBULPGSCDAV-UHFFFAOYSA-N 373.434 2.027 50 50 FEGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)cc3F)[C@@H]2C1 15162281 DOUUEAURWIGEGL-NVXWUHKLSA-N 351.360 2.320 50 50 FEGA O=C(COc1cccc(Br)c1)N/N=C1\C(=O)Nc2ccccc21 5650252 JTNGZQBKOCNQJO-UHFFFAOYSA-N 374.194 2.301 50 50 FEGA O=C(N/N=C/c1cccc(F)c1)C(=O)Nc1nnc(-c2ccccc2)s1 4210691 HVABZTBNZQPOHY-VXLYETTFSA-N 369.381 2.433 50 50 FEGA Cc1nn(C)c(C(=O)NNC(=O)NC23CC4CC(CC(C4)C2)C3)c1Cl 5062922 FUWCSYDLDOZBBB-UHFFFAOYSA-N 365.865 2.295 50 50 FEGA CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2ccccc2F)C(C#N)=C(N)O1 680207 LJEFQEIYSKQWTE-MRXNPFEDSA-N 374.368 2.404 50 50 FEGA O=C(CSc1nc2ccccc2o1)NNC(=O)c1cccc([N+](=O)[O-])c1 1947902 PRDTYISBMPRSGL-UHFFFAOYSA-N 372.362 2.289 50 50 FEGA C=CCn1c(COc2ccc3ccccc3c2)nnc1SCC(=O)NN 66324359 HTARLGVTDQVIAG-UHFFFAOYSA-N 369.450 2.278 50 50 FEGA C=CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccccc1C 4335865 CBGJBTOEGDWKCL-LPYMAVHISA-N 351.406 2.440 50 50 FEGA C#CCSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@H]2c1cccc(F)c1 4593933 LWSTYEFXLCIYPR-GFCCVEGCSA-N 353.382 2.141 50 50 FEGA biogenic,in-vitro CCOc1ccc(Br)cc1C(=O)NNC(=O)c1cccnc1 4841468 MPSYKMIJLVFFLT-UHFFFAOYSA-N 364.199 2.318 50 50 FEGA Cc1ccccc1NC(=O)CCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 36047247 BRZQSUSWCDYNGT-YBFXNURJSA-N 370.365 2.478 50 50 FEGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 4260482 AULYCTFHYAJDGA-DJKKODMXSA-N 360.757 2.128 50 50 FEGA COC(=O)C1=C(C(=O)OC)[C@H](C)[C@@H](Br)[C@@H](Br)C1 216483733 DBVSWOHRPCYBOW-XWDQLLGVSA-N 370.037 2.196 50 50 FEGA COc1c(O)ccc(/C=N/NC(=O)c2cc(Cl)ccc2O)c1[N+](=O)[O-] 1185653 NFIIIDSIDWUZKB-REZTVBANSA-N 365.729 2.432 50 50 FEGA C[C@@H](Cl)C(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1875375946 KDKXGWLGLIJVFV-YPMHNXCESA-N 371.869 2.094 50 50 FEGA O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccncc1 2322380 OKTQUNUGMKDVDY-FRKPEAEDSA-N 365.143 2.222 50 50 FEGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2=O)c1 1233387 YVANSJNWVOOCFX-XDHOZWIPSA-N 352.350 2.486 50 50 FEGA C=CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1OC 4335774 LSZIXNXQMDGRCJ-DEDYPNTBSA-N 353.378 2.349 50 50 FEGA CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1074207 RKJWQDIYCPKDHN-UHFFFAOYSA-N 350.352 2.064 50 50 FEGA N#CC1=C(N)OC(c2ccccc2)=C(n2nnnc2N)[C@H]1c1ccccc1 4997064 CSFHXQOQMSWLQA-HNNXBMFYSA-N 357.377 2.089 50 50 FEGA COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C(/C)c1ccccc1 4989558 AEJIBOOWBXXDSY-NQMXVTNKSA-N 351.406 2.365 50 50 FEGA CC(C)Oc1ccc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1 1440814 FWFFYSOSURJONE-INIZCTEOSA-N 354.362 2.137 50 50 FEGA CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc(OC)cc1OC 57509101 NNQIMXHHRMWQMR-AWEZNQCLSA-N 354.790 2.114 50 50 FEGA O=C(NNC(=O)[C@@H]1CC(c2cccnc2)=NO1)Nc1ccc(Cl)cc1 1394670 QWMTYMIRJPVXIZ-AWEZNQCLSA-N 359.773 2.081 50 50 FEGA CC(=O)N1CCC(C(=O)NNc2ncc(C(F)(F)F)cc2Cl)CC1 4050774 YZYMMAVFXNJLQR-UHFFFAOYSA-N 364.755 2.455 50 50 FEGA C=CCN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@H](C)C3)c2ccccc21 4653815 UHQIEFGVKGZAEF-LAJNKCICSA-N 361.401 2.434 50 50 FEGA CC[C@@H](Br)C(=O)Nc1ccc(S(=O)(=O)/N=C(/C)O)cc1 74941506 CPDKMTMLQLGNQX-LLVKDONJSA-N 363.233 2.464 50 50 FEGA Cn1c(SCC(=O)N/N=C/c2ccc(O)cc2O)nc2ccccc21 945944 WBJYCLLPJIIHCX-GIJQJNRQSA-N 356.407 2.227 50 50 FEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(Cn2cncn2)cs1 4743750 ADVDMOOKBSACGF-OAHLLOKOSA-N 371.422 2.033 50 50 FEGA O=C(COc1ccc(Cl)cc1)NNC(=O)Cc1ccc([N+](=O)[O-])cc1 1230075 VHVFPVPEEKHDQO-UHFFFAOYSA-N 363.757 2.017 50 50 FEGA N#CC(C#N)=C1c2cc([N+](=O)[O-])ccc2[C@H]2C([N+](=O)[O-])=CC([N+](=O)[O-])=C[C@@H]12 100165480 XANRPPRMVMGKHM-XJKSGUPXSA-N 365.261 2.444 50 50 FEGA O=C(O)COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 2776384 WFFRYHODMIQIEC-DJKKODMXSA-N 362.769 2.333 50 50 FEGA C#CCSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@@H]2c1cccc(F)c1 4593932 LWSTYEFXLCIYPR-LBPRGKRZSA-N 353.382 2.141 50 50 FEGA biogenic,in-vitro O=S(=O)(N[C@H](CCl)CI)c1ccccc1 3051328 SLXZUKLFNSFLNR-MRVPVSSYSA-N 359.616 2.007 50 50 FEGA O=C(Nc1cccc(Br)c1)c1ccc(Cl)c(B(O)O)c1 169744362 QOLBFLJBJUSRDF-UHFFFAOYSA-N 354.396 2.035 50 50 FEGA O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])cc1 2865014 GZNPHGDRCBAILD-UHFFFAOYSA-N 364.701 2.231 50 50 FEGA COC(=O)C[C@@H]1O[C@H](c2ccccc2)OC[C@H]1I 43763598 JYIZZQWRDGZVFN-NTZNESFSSA-N 362.163 2.467 50 50 FEGA CN1C(=O)/C(=N\NC(=O)c2cc(Br)ccc2O)c2ccccc21 5521464 NERYPJCPSYUTQT-JXAWBTAJSA-N 374.194 2.265 50 50 FEGA CCOc1ccc(NC(=S)NNC(=O)c2c(Cl)c(C)nn2C)cc1 650678 UIKBNQUGBKNJNL-UHFFFAOYSA-N 367.862 2.412 50 50 FEGA CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 4311329 SHFPTARTEMLSSD-CYBMUJFWSA-N 363.757 2.458 50 50 FEGA O=C(NNS(=O)(=O)c1ccccc1F)c1sccc1-n1cccc1 5946013 NWWSAFBSECVLKR-UHFFFAOYSA-N 365.411 2.301 50 50 FEGA O=C(Nc1ccccc1Cl)c1cc(Br)cc(B(O)O)c1 169744776 JBPJSWVMKUTQQN-UHFFFAOYSA-N 354.396 2.035 50 50 FEGA CC1CCN(S(=O)(=O)Cc2ccccc2CNC(=O)[C@H](C)Cl)CC1 1875366468 MDMYVNCXQPZJET-AWEZNQCLSA-N 372.918 2.492 50 50 FEGA COc1cc(OC)c(/C=N/NC(=O)c2ccc3[nH]cnc3c2)c(OC)c1 9019467 WHJCMTWZGQTGCG-ZVBGSRNCSA-N 354.366 2.353 50 50 FEGA CN(C)c1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1Br 1203690 YFKOLBQVAJGRHA-LICLKQGHSA-N 370.247 2.118 50 50 FEGA O=C(NNS(=O)(=O)c1ccc(F)cc1)c1cccc(Br)c1 2870315 YUHLULZEGGINFY-UHFFFAOYSA-N 373.203 2.212 50 50 FEGA COCCN(C)NC(=O)c1cnn(-c2ccccc2C)c1C(F)(F)F 288558742 ZMCWDSIURWONBK-UHFFFAOYSA-N 356.348 2.423 50 50 FEGA C=CCc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)c1O 4296230 YOMSOMCWOKVQEE-UDWIEESQSA-N 353.378 2.218 50 50 FEGA COC(=O)Cc1[nH]nc2c1[C@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 4625115 XTIZVMWYLCRRRT-MRXNPFEDSA-N 368.393 2.131 50 50 FEGA CCCN1CNc2c(c(=O)nc3n2C[C@](C)(CBr)S3)C1 4727470 FLKQGLNDYLOWEJ-ZDUSSCGKSA-N 359.293 2.098 50 50 FEGA Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 1210764 FSLXJIYGGKPLQE-PZUDMAOCSA-N 366.377 2.406 50 50 FEGA O=C(NNS(=O)(=O)c1ccc(Br)cc1)c1cccs1 848879 BJVAFGAXKCVWFE-UHFFFAOYSA-N 361.242 2.134 50 50 FEGA COC(=O)C[C@@H]1O[C@H](c2ccccc2)OC[C@@H]1I 43763597 JYIZZQWRDGZVFN-GMXVVIOVSA-N 362.163 2.467 50 50 FEGA O=C(Cn1nnc2ccccc21)N/N=C/c1ccc(Br)cc1 1424028 ZEEJSLIRVHFKEW-RQZCQDPDSA-N 358.199 2.344 50 50 FEGA COc1cc(/C=N\NC(=O)CNc2ccc(C)cc2)cc([N+](=O)[O-])c1O 32606324 RWRXOCMTSDOKBX-OCKHKDLRSA-N 358.354 2.180 50 50 FEGA O=C(N/N=C/c1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 5899304 AMEYLJZDBBZJRT-WOJGMQOQSA-N 351.391 2.294 50 50 FEGA C[C@@H](Nc1cccc2ccccc12)c1nnc(SCC(=O)NN)n1C 34925127 LXTKVKAFYSQHKT-LLVKDONJSA-N 356.455 2.223 50 50 FEGA C=CCc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)c1O 4302634 XLMYDCXZYWSUFU-UDWIEESQSA-N 353.378 2.218 50 50 FEGA COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(C)=O 670230 HUXDVHUTNRPCMS-VCHYOVAHSA-N 357.322 2.293 50 50 FEGA Cc1ccccc1C=NNC(=O)CN1CCN(Cc2ccccc2)CC1 245238321 JYEYXCGQXCYDAQ-UHFFFAOYSA-N 350.466 2.263 50 50 FEGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(OC)ccc2OC)cc1 3061726 IAVINJCIHIHNBC-UDWIEESQSA-N 371.393 2.191 50 50 FEGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 4366120 LROMZXLSVYKYOY-MUOOZZNISA-N 358.310 2.421 50 50 FEGA COc1ccc(C=NNC(N)=O)cc1COc1ccc([N+](=O)[O-])c(C)c1 13882132 WYRBZPZMRZETCR-UHFFFAOYSA-N 358.354 2.493 50 50 FEGA CC(C)(C)c1ccc(/C=N/NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 17075128 LQWQGHJKRYLDQX-UZUMKDMXSA-N 365.499 2.106 50 50 FEGA CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@H](C)Cl)CC2)cc1 1875364651 PLMANVRCOBZZAV-KBPBESRZSA-N 352.862 2.314 50 50 FEGA CC(C)(O)O[C@@H]1C[C@H]2CS(=O)(=O)C[C@@]2(c2ccccc2)C[C@H]1Cl 71785944 OQISDUCVCAAQID-KLZNWCGWSA-N 358.887 2.484 50 50 FEGA CC1=C(C(=O)OC(C)C)[C@]23C(=O)c4ccccc4[C@@]2(O1)OC(N)=C3C#N 681874 IARGRXDKCRNPFY-RTBURBONSA-N 352.346 2.002 50 50 FEGA COC1(c2nc(C3CCOCC3)no2)CCN(C(=O)[C@H](C)Cl)CC1 1875380331 LYBHNYTZLAIXBX-NSHDSACASA-N 357.838 2.055 50 50 FEGA N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@H]1c1ccncc1 4586559 AWUAPPJDSJQIIN-HNNXBMFYSA-N 359.345 2.419 50 50 FEGA C[C@H](Cl)C(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 1875364202 JTNFCIGOGUNGCT-WDEREUQCSA-N 364.829 2.455 50 50 FEGA COC(=O)c1c(NC(=S)NNC(=O)c2ccncc2)sc(C)c1C 17074909 CQWFAODGYPULNT-UHFFFAOYSA-N 364.452 2.178 50 50 FEGA O=C(NNc1c(F)c(F)nc(F)c1F)c1cn(Cc2ccccc2)nn1 408526001 SATDATNBABVZKG-UHFFFAOYSA-N 366.278 2.035 50 50 FEGA COc1ccc(Br)cc1/C=N/NC(=O)c1snnc1C 5792579 OKAYLTDNACORRR-MKMNVTDBSA-N 355.217 2.382 50 50 FEGA O=C(NNC(=S)NC[C@H]1CCCO1)c1cc2c(s1)CCCCC2 2858763 AHANQEJMXCZOIX-GFCCVEGCSA-N 353.513 2.305 50 50 FEGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)[C@@H]1C[C@H]1c1ccccc1 4832830 NZMVAWWLAMYNHQ-QWHCGFSZSA-N 350.334 2.171 50 50 FEGA COc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCCC3)c(OC)c1OC 946162 JPXCENBUPIXKGE-VXLYETTFSA-N 358.398 2.078 50 50 FEGA CN(C)c1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)cc1 1080086 LASIFEYRZNHPCV-GOSISDBHSA-N 351.454 2.329 50 50 FEGA CCOc1ccc(CC(=O)NNC(=S)NCCc2ccccc2)cc1 13519148 RWKMBYURICOFQS-UHFFFAOYSA-N 357.479 2.366 50 50 FEGA COc1ccccc1CC(=O)NNC(=O)c1ccco1 160211323 UQSUHOKBFJWTQF-UHFFFAOYSA-N 274.276 1.292 50 50 FEGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 3061745 LNWCHKXBZIEEEF-WOJGMQOQSA-N 356.338 2.082 50 50 FEGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1cccc(F)c1 19371557 QHOIGGLNMLBWMG-HYARGMPZSA-N 354.429 2.094 50 50 FEGA C=CC(=O)N1CCC(C(=O)NNC(=S)Nc2cccc(Cl)c2)CC1 2325760540 FDXRUNPTBGQBIC-UHFFFAOYSA-N 366.874 2.082 50 50 FEGA COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccncc4)c32)cc1 759052 VPWUZQWHNBOTNM-HNNXBMFYSA-N 373.372 2.476 50 50 FEGA CCOc1ccc(NC(=S)NNC(=O)c2nn(C)cc2Cl)cc1 650984 QCEFOJNYANWDLU-UHFFFAOYSA-N 353.835 2.104 50 50 FEGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C/C(Br)=C/c1ccccc1 100609641 YYVMBDLAXSTWTQ-UNTTUWSFSA-N 363.215 2.036 50 50 FEGA O=C(CON=Cc1ccccc1Cl)NN=C1C(=O)Nc2ccccc21 252680016 UQXMZIIBCCJOHO-UHFFFAOYSA-N 356.769 2.163 50 50 FEGA CC(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)/C(=N/O)C(=O)Nc1ccccc1 17971631 MMZALVKEXIQGDI-JUYTWUFESA-N 369.337 2.169 50 50 FEGA COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NN)c3N2)cc1 1069012 FLAPLZQYCYWYHT-RYUDHWBXSA-N 355.320 2.156 50 50 FEGA O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(O)cc1O 4372841 XPFFHFAJEIQZSO-CAOOACKPSA-N 365.183 2.389 50 50 FEGA CC1=C(C)C[C@H](C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2)[C@@H](C(=O)O)C1 6860517 NJMDASRBGQLYGD-XIRDDKMYSA-N 374.437 2.357 50 50 FEGA O=C(Nc1ccc(Br)cc1F)c1ccc(Cl)c(B(O)O)c1 169744059 QUFXUDZOGPEWNW-UHFFFAOYSA-N 372.386 2.174 50 50 FEGA CO[C@@H](COc1ccccc1)C(=O)NCCSSCCC(=O)O 1875388685 LWKSIDKEOCBXPY-ZDUSSCGKSA-N 359.469 2.053 50 50 FEGA CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2ccsc2)C(C#N)=C(N)O1 808824 BVUTXUFMKKSBGZ-AWEZNQCLSA-N 362.407 2.326 50 50 FEGA CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 100151551 RUUAZZPYAWIVFZ-AGKWGAAGSA-N 364.405 2.228 50 50 FEGA O=C(Cc1ccncc1)NNC(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 187130318 KWPQOHKJSPDRQA-ROUUACIJSA-N 352.438 2.366 50 50 FEGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccc(F)cc1 22933368 GUQOFCNHINOVLI-HYARGMPZSA-N 354.429 2.094 50 50 FEGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc(OC)c1OC 32181175 WJSJZWHWLFMSNM-RGVLZGJSSA-N 371.393 2.110 50 50 FEGA O=C(OCc1ccccc1)N1CCN=C(O)[C@H](I)C1 328578334 IDLIEFQJZZOAKE-LLVKDONJSA-N 374.178 2.399 50 50 FEGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)o1 4209901 XWHBLMUIJOBMTM-DJKKODMXSA-N 356.407 2.489 50 50 FEGA CC1(C)OC(=O)C(=C2[C@H]3[C@@H]4C[C@@H]5[C@H]6[C@@H]4[C@@H]2[C@@H]([C@@H]6Br)[C@H]53)C(=O)O1 245227894 XTUXTICCGOUWQU-RSZJOPPASA-N 365.223 2.270 50 50 FEGA COC(=O)c1ccccc1NC(=O)NNC(=S)NC1CCCCC1 1117561 VJEXHIWNBHTFBG-UHFFFAOYSA-N 350.444 2.307 50 50 FEGA C=CC(=O)N1CCC[C@@H](C(=O)NNC(=S)Nc2c(C)cccc2CC)C1 1875302835 ISKLGUPVCYWOCC-OAHLLOKOSA-N 374.510 2.300 50 50 FEGA CC1(C)C(c2cccs2)=[N+]([O-])[C@@]2(CCCCC/C2=N\NC(N)=O)N1O 5059159 HHYSFZQRRDZRQT-IQFISFIMSA-N 365.459 2.216 50 50 FEGA CC1=C(C#N)[C@](NC(=O)c2cccc([N+](=O)[O-])c2)(C(F)(F)F)C(O)=N1 5078192 SHODZJJEQKCIHA-CYBMUJFWSA-N 354.244 2.393 50 50 FEGA CC(C)(C)c1cc(CNC(=O)CCl)c(O)c(CNC(=O)CCl)c1 1428461 CQCSRBNJFAFCOQ-UHFFFAOYSA-N 361.269 2.400 50 50 FEGA COc1cccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)c1O 3576360 IQPIIVGAQNJIKD-VXLYETTFSA-N 360.366 2.191 50 50 FEGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccccc1C(F)(F)F 95691616 PCNCVJTXAMLVAY-CYBMUJFWSA-N 364.279 2.369 50 50 FEGA O=C(Cn1ccc2ccccc21)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 793438688 GWMQVMHBTSXYHO-LKJFCDDOSA-N 361.445 2.183 50 50 FEGA COc1ccc(OC)c([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c1 1080518 VWLMALCZXLECBC-SFHVURJKSA-N 368.437 2.281 50 50 FEGA C[C@@H](Cl)C(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 1875364198 JTNFCIGOGUNGCT-GHMZBOCLSA-N 364.829 2.455 50 50 FEGA O=C(CCl)Nc1ccc(S(=O)(=O)OCC(F)(F)C(F)F)cc1 2689737 LCUFAEVSZPSJQE-UHFFFAOYSA-N 363.716 2.470 50 50 FEGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1 3061757 LKONMNDEOFNXJT-UDWIEESQSA-N 371.393 2.191 50 50 FEGA CCOc1cc([C@@H]2CC(=O)NC(SCC(=O)OC)=C2C#N)ccc1O 9089050 DZVZXPJKDCCZCY-NSHDSACASA-N 362.407 2.036 50 50 FEGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1O 4366543 FHYJSXHLBJCHNI-VDCVXVNISA-N 359.338 2.227 50 50 FEGA CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)Oc1ccc([N+](=O)[O-])cc1 60272872 TXKOUVRCDMSOJZ-LBPRGKRZSA-N 368.342 2.258 50 50 FEGA COc1ccc(/C=N/NC(=O)c2cc(=O)[nH]c3ccccc23)cc1OC 13520491 DUJUJUHVQCDUKH-RGVLZGJSSA-N 351.362 2.309 50 50 FEGA C/C(=N/NC(=O)c1ccco1)c1ccc(NC(=O)c2ccnn2C)cc1 5826712 YZNNIQFFYWVQSJ-MTJSOVHGSA-N 351.366 2.419 50 50 FEGA COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NN)c3N2)cc1 1069009 FLAPLZQYCYWYHT-NEPJUHHUSA-N 355.320 2.156 50 50 FEGA O=C(N/N=C/c1cccnc1)c1ccc(C(=O)N/N=C/c2cccnc2)cc1 1230149 LKMRBERFFPBOLM-RNIAWFEPSA-N 372.388 2.004 50 50 FEGA COCCCNC(=S)NNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 2851852 IVUNWXADRCWRTL-ZDUSSCGKSA-N 367.515 2.283 50 50 FEGA C#CCCN(C(=O)OCc1ccccc1)S(=O)(=O)CBr 43198602 XHCYZAFVZMRNCV-UHFFFAOYSA-N 360.229 2.331 50 50 FEGA CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CCc1ccccc1O 5059940 HTSQSLHGJHEPLK-XDHOZWIPSA-N 356.382 2.449 50 50 FEGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc2nc[nH]c2c1 2327890 XGFNINFXCYQECK-ZVBGSRNCSA-N 354.366 2.353 50 50 FEGA OB(O)c1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1 170011662 SXDLSKWVNTXEFG-UHFFFAOYSA-N 354.218 2.403 50 50 FEGA O=C(O)[C@H](Br)[C@@H](Br)C(=O)Nc1ccc(F)cc1 1737990 LMZKMNORDXLHAZ-HTQZYQBOSA-N 368.984 2.376 50 50 FEGA O=C1[C@@H](Br)[C@H](Br)C(=O)N1c1ccccc1F 100971088 GNHMLAAFLHCQTF-YUMQZZPRSA-N 350.969 2.226 50 50 FEGA O=C(N/N=C/c1cccc(/C=N/NC(=O)c2cccnc2)c1)c1cccnc1 1230990 FQFMAPMSDFOMCZ-ASIDMNOUSA-N 372.388 2.004 50 50 FEGA Cc1cc(C(=O)NN=c2[nH]nc(C3CC3)s2)c(C)n1-c1ccncc1 1875267747 GEYAJGKQGYOQST-UHFFFAOYSA-N 354.439 2.397 50 50 FEGA COc1ccc(S(=O)(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4015393 MDSPFUXVKDWPRS-UHFFFAOYSA-N 364.467 2.221 50 50 FEGA C=CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C(C)(C)C)cc1 1875367703 GAZWRUKEFWFDMU-GDBMZVCRSA-N 359.426 2.023 50 50 FEGA O=C(NNC(=O)N1CCOCC1)c1csc(-c2ccccc2Cl)n1 170620616 FZBXJJRWUVQADQ-UHFFFAOYSA-N 366.830 2.150 50 50 FEGA Cc1ccc(OCC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1C 1233304 NZHVHKXTQJTYPC-UFWORHAWSA-N 371.349 2.469 50 50 FEGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccc(Br)cc12 850194 RFLCHWPMQCCSJP-MRXNPFEDSA-N 374.194 2.226 50 50 FEGA NC(=O)c1ccc(C(=O)NNC(=O)Nc2cccc(C(F)(F)F)c2)cc1 2856715 BYUGTQIWGBOGBC-UHFFFAOYSA-N 366.299 2.271 50 50 FEGA O=C(NNC(=O)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 1230074 VUJMXIXZLLWYJI-UHFFFAOYSA-N 364.155 2.432 50 50 FEGA CCn1cc(Br)c(/C(C)=N\NC(=O)Cc2cccn2C)n1 6961585 XVSZKWNOAXIZHH-YBEGLDIGSA-N 352.236 2.087 50 50 FEGA C=CC(=O)N1CCC(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)CC1 1875302881 KWYMNSCOKLIURD-UHFFFAOYSA-N 366.343 2.445 50 50 FEGA Cc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)s1 19879683 IFEVAPPPBQOISG-DEDYPNTBSA-N 356.495 2.324 50 50 FEGA CN(C)c1ccc(/C=N/NC(=O)CNC(=O)/C=C/c2ccccc2)cc1 4981431 JDFPPCPUGVCTHR-IRMYMQKMSA-N 350.422 2.032 50 50 FEGA C=CC(=O)N1CCC(C(=O)NNC(=S)Nc2c(C)cccc2CC)CC1 1875269715 LUMWRODKIHASSS-UHFFFAOYSA-N 374.510 2.300 50 50 FEGA CCS(=O)(=O)c1ccccc1N1CCC(NC(=O)[C@@H](C)Cl)CC1 1875364886 XELIBIDJHVMYKQ-GFCCVEGCSA-N 358.891 2.193 50 50 FEGA COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)ccc1O 1226298 BAFOHJMXRKRXEO-UDWIEESQSA-N 353.378 2.292 50 50 FEGA COc1ccc(/C(C)=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] 12343106 JAEYOZOMVZSGEL-WAKXPGHKSA-N 371.349 2.284 50 50 FEGA N#CC1=C(SCC(N)=O)NC(=O)C[C@H]1c1ccc(Br)cc1 752219 ORSWFJLVESAUIV-JTQLQIEISA-N 366.240 2.006 50 50 FEGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(O)cc2)cc1 4283028 PNYRCZULHXUYEQ-LPYMAVHISA-N 369.421 2.451 50 50 FEGA CC(C)(C)[C@@H]1CCc2c(C(=O)NNC(=O)/C=C/C(=O)O)csc2C1 2114420 XDVMNNPUIJIAAN-VQCYPWCPSA-N 350.440 2.301 50 50 FEGA COc1cccc(COc2c(Br)cc(C)cc2B(O)O)c1 169877144 KTEDZUFTBUUJLG-UHFFFAOYSA-N 351.005 2.025 50 50 FEGA in-vitro COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1nn(C)cc1[N+](=O)[O-] 3145601 VZMIIOWWNVFQDY-FZSIALSZSA-N 372.168 2.408 50 50 FEGA Cc1ccc(C2=[N+]([O-])[C@@]3(CCCCC/C3=N\NC(N)=O)N(O)C2(C)C)o1 18207181 AEIANNLSQOOWPP-AMRJIULGSA-N 363.418 2.056 50 50 FEGA COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1 2892306 ZAFYVHBWIYHJKD-VXLYETTFSA-N 359.769 2.215 50 50 FEGA C=CCc1cccc(/C=N/NC(=O)c2nn(C)cc2Br)c1O 1092089 JLIWWTCUWDRWJZ-CAOOACKPSA-N 363.215 2.381 50 50 FEGA O=C(O)c1ccc(S(=O)(=O)NNC(=O)c2cccc3ccccc23)cc1 738689514 QRBFDYHSQRCHTK-UHFFFAOYSA-N 370.386 2.161 50 50 FEGA N#CC1=C(N)Oc2[nH]nc(-c3cccnc3)c2[C@H]1c1ccc([N+](=O)[O-])o1 4171452 BPEDIAWHBQQNEC-GFCCVEGCSA-N 350.294 2.191 50 50 FEGA CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN)cc1 12411695 XKIRXSITZBZETR-JXAWBTAJSA-N 352.438 2.294 50 50 FEGA O=C(N/N=C/c1ccccc1O)C(=O)Nc1ccc(Br)cc1 2568900 VZCRXAYJMQRPRN-RQZCQDPDSA-N 362.183 2.244 50 50 FEGA CCOC(=O)[C@@H](Br)CC[C@H](Br)C(=O)OCC 1681231 UBCNJHBDCUBIPB-YUMQZZPRSA-N 360.042 2.420 50 50 FEGA CC[C@H](C)OC(=O)C1=C(C)O[C@]23OC(N)=C(C#N)[C@@]12C(=O)c1ccccc13 139170413 SCNMZPGXASVBBR-UUADDVKTSA-N 366.373 2.392 50 50 FEGA CN(C)c1nc2ccc(C(=O)NCCSSCCC(=O)O)cc2o1 1875388439 AWIWYPZFZDEJQS-UHFFFAOYSA-N 369.468 2.480 50 50 FEGA C=CC(=O)N1CCC[C@H](C(=O)NN(C(=O)c2ccccc2)C(C)(C)C)C1 1875380640 VCUYUAKHBJFYCB-INIZCTEOSA-N 357.454 2.383 50 50 FEGA C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)c1 2055527 AAFJYLFLTSHRAM-DEDYPNTBSA-N 353.378 2.349 50 50 FEGA COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)cc(Br)c1OC 2869634 BKYFYAVVPYXLTJ-FRKPEAEDSA-N 367.203 2.262 50 50 FEGA CCOc1cc([C@H]2CC(=O)NC(SCC(=O)OC)=C2C#N)ccc1O 9089051 DZVZXPJKDCCZCY-LLVKDONJSA-N 362.407 2.036 50 50 FEGA C=CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(OC)c1 4303045 BEUCKCKCBNFGGF-DEDYPNTBSA-N 353.378 2.349 50 50 FEGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc(OC)c1OC 2566443 LCUDXISMLCZMKW-RGVLZGJSSA-N 371.393 2.110 50 50 FEGA COc1cccc(/C=N/NC(=O)CSCC(=O)Nc2ccccc2)c1O 2870049 XXTRUWVFGVLMKN-VXLYETTFSA-N 373.434 2.223 50 50 FEGA CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1 135936212 GAYMGQARULLISQ-DARAHFNDSA-N 358.438 2.492 50 50 FEGA CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO 195976750 RZJNKNBLADNWHG-QJPTWQEYSA-N 365.510 2.079 50 50 FEGA CC(=O)c1ccc(NC(=S)NNC(=O)c2ccccc2[N+](=O)[O-])cc1 13519580 AVWMZGYHZJMLEO-UHFFFAOYSA-N 358.379 2.429 50 50 FEGA COCCCNC(=S)NNC(=O)Cc1ccc(-c2ccccc2)cc1 2855704 JODCTPAMCZPCED-UHFFFAOYSA-N 357.479 2.428 50 50 FEGA CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1O 1192184 MFNUFVFNAIXVRP-GIJQJNRQSA-N 360.439 2.440 50 50 FEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1coc2ccccc2c1=O 22780305 VAIPRONFZVNMBY-INIZCTEOSA-N 352.346 2.438 50 50 FEGA Cc1nn(C)cc1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CCC2 659737 RGNCTTCHKSTFFF-SFHVURJKSA-N 360.421 2.428 50 50 FEGA C=CCOc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)cc1 4229717 MXBRZRJPXIRZTN-LPYMAVHISA-N 351.406 2.440 50 50 FEGA C/C(=N\NC(=O)c1ccc(Br)o1)c1c(O)cc(C)oc1=O 5612092 OBKRNMHYDZWXMG-VIZOYTHASA-N 355.144 2.163 50 50 FEGA CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1cccc(OC)c1OC 4857424 PUWXHRYXOUQBHK-ZDUSSCGKSA-N 354.790 2.114 50 50 FEGA CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 5020119 SEPAGIBJDRPENU-MRXNPFEDSA-N 372.406 2.098 50 50 FEGA C=CCn1c(SCC(=O)NN)nnc1[C@@H](C)Nc1ccc(Cl)cc1 66324333 LFOVMJJQDCUFHA-SNVBAGLBSA-N 366.878 2.373 50 50 FEGA COC(=O)[C@](O)([C@H](Cl)C(=O)Nc1ccc(C)c(F)c1)C(F)(F)F 2770086 DKMUMHMORVLGCA-BXKDBHETSA-N 357.687 2.146 50 50 FEGA C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(-n2cnnn2)cc1 5494568 VSEIUMRRAIKLPD-UDWIEESQSA-N 370.800 2.235 50 50 FEGA COC(=O)c1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc1 4261115 YIDWACHUJIBVMC-UFFVCSGVSA-N 373.796 2.007 50 50 FEGA CCOc1ccccc1[C@H]1[C@H]2CN(C)CC=C2C(C#N)=C(N)C1(C#N)C#N 623127 JWNBGUHOYQEIRG-HKUYNNGSSA-N 359.433 2.440 50 50 FEGA O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100289875 GZOTXZZFRXOGEB-NVNXTCNLSA-N 359.254 2.175 50 50 FEGA C[C@H](Cl)C(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1875370301 JRFKYJWQVXLLCA-ACZMJKKPSA-N 354.678 2.214 50 50 FEGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(N)=O)cc2OC)cc1 2531892 WHXKVJKYIXXFHS-RGVLZGJSSA-N 357.366 2.315 50 50 FEGA Cc1nnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Cl)cc2)s1 74941401 DQFTWSKVVJDSSE-SSDOTTSWSA-N 360.848 2.213 50 50 FEGA CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C[C@@H]1O 169745537 GHCYFLRPIRMTTP-QJPTWQEYSA-N 366.494 2.202 50 50 FEGA O=C(N[C@@]1(C(Cl)Cl)NC(c2ccccc2)=NC1=O)c1ccccc1 3138752 BVOWHFJJFXDUEN-QGZVFWFLSA-N 362.216 2.493 50 50 FEGA CC1=C(C)C[C@@H](C(=O)NNC(=O)Cc2ccc(Cl)cc2)[C@H](C(=O)O)C1 2789408 BPHFIJKSTXWYFH-HUUCEWRRSA-N 364.829 2.477 50 50 FEGA O=C(O)CCSSCCNC(=O)c1cc(Br)c[nH]1 1875388731 OKGJPXULWGRXEM-UHFFFAOYSA-N 353.263 2.363 50 50 FEGA O=C(CNC(=O)C1CCCCC1)NNC(=O)Nc1ccc(Cl)cc1 2872405 BTUHBEONMBMAPN-UHFFFAOYSA-N 352.822 2.189 50 50 FEGA Cc1cc2c(c(=O)n1Cc1cccnc1)[C@H](c1cccnc1)C(C#N)=C(N)O2 730230 PPNKKJJZRKHOEU-GOSISDBHSA-N 371.400 2.213 50 50 FEGA C[C@H](Oc1ccccc1)C(=O)NNC(=S)Nc1ccc2c(c1)OCO2 6571678 JHNIUNITYDXWID-NSHDSACASA-N 359.407 2.200 50 50 FEGA COc1ccccc1NC(=S)NNC(=O)c1c(Cl)c(C)nn1C 8672561 HKJMSUBZFRZPAG-UHFFFAOYSA-N 353.835 2.022 50 50 FEGA CC1(C)[C@@H](C(=O)NNC(=O)[C@H]2C[C@@H]2c2ccccc2)CC[C@]1(C)C(=O)O 827706415 APRQOBUSTWEJQX-IGMJJTELSA-N 358.438 2.465 50 50 FEGA COCCCNC(=S)NNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 2851853 IVUNWXADRCWRTL-CYBMUJFWSA-N 367.515 2.283 50 50 FEGA O=C(O)CCSSCCNC(=O)c1n[nH]cc1-c1ccncc1 1875362201 VFYQNSIQWIMPSK-UHFFFAOYSA-N 352.441 2.058 50 50 FEGA COc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC 1191729 RSCGWEUMNMKFPT-GIJQJNRQSA-N 360.439 2.353 50 50 FEGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccnc2)cc1 4260120 YEDROGHERNDMTM-LPYMAVHISA-N 354.410 2.141 50 50 FEGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)C(=O)Nc1ccccc1Cl 2542562 RNSABBKVIMGDIU-KEBDBYFISA-N 368.780 2.270 50 50 FEGA CCCCOc1ccc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1 136191821 DCUMJOXKHZTQGV-NXNVCVFFSA-N 374.437 2.373 50 50 FEGA O=C(NNC(=O)c1ccc(O)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 2156188 OWVGVCGUSCWBRI-UHFFFAOYSA-N 350.718 2.420 50 50 FEGA COC(=O)[C@@](O)([C@H](Cl)C(=O)Nc1cc(F)ccc1C)C(F)(F)F 2769583 WVJXPSOUIVRWKW-SKDRFNHKSA-N 357.687 2.146 50 50 FEGA Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 1210761 FSLXJIYGGKPLQE-BBJIBYMTSA-N 366.377 2.406 50 50 FEGA N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 1449207 GYTGJPJFCRHXCT-IGLBNKAOSA-N 359.234 2.204 50 50 FEGA O=C(N[C@]1(C(Cl)Cl)NC(c2ccccc2)=NC1=O)c1ccccc1 3138751 BVOWHFJJFXDUEN-KRWDZBQOSA-N 362.216 2.493 50 50 FEGA O=C(CCl)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 20478396 XLCAPMDUVPXHPJ-UHFFFAOYSA-N 361.210 2.108 50 50 FEGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 1212108 YEGGZPPFZMHYJG-NPNVKNKFSA-N 370.340 2.237 50 50 FEGA Cc1c(Cl)cccc1NC(=O)c1cc(Br)cc(B(O)O)c1 169744777 LBDYZOABLWQDEA-UHFFFAOYSA-N 368.423 2.343 50 50 FEGA Cc1nn(C)c(NNC(=O)Nc2ccc(OCC(F)(F)F)nc2)c1C#N 1875349582 CRLACQOLKBOPDX-UHFFFAOYSA-N 369.307 2.085 50 50 FEGA CCOc1cc(/C=N\NC(=O)c2ccc(Cn3cccn3)o2)ccc1O 32573528 HCPXYTRCXANTIX-ODLFYWEKSA-N 354.366 2.393 50 50 FEGA Cc1nn(C)cc1/C=N/NC(=O)[C@H](C)Nc1ccc(Br)cc1 1066676 GFRYAYBAYBGIEM-CPWFCVNUSA-N 364.247 2.442 50 50 FEGA O=C(N/N=C/c1ccncc1)c1cc(I)ccc1O 1192252 YTSVPLBVXGMLGK-LZYBPNLTSA-N 367.146 2.156 50 50 FEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 856142 GSJKHNKSVZLEAQ-HNNXBMFYSA-N 355.306 2.138 50 50 FEGA COc1ccc(Cl)cc1C(=O)N/N=C(\C)c1ccc(-n2cnnn2)cc1 5494634 HBSYTYHQCAPQSS-RGVLZGJSSA-N 370.800 2.478 50 50 FEGA N#CC1=C(N)OC(c2ccccc2)=C(n2nnnc2N)[C@@H]1c1ccccc1 4997063 CSFHXQOQMSWLQA-OAHLLOKOSA-N 357.377 2.089 50 50 FEGA COc1ccc(CC(=O)NNC(=S)NCc2ccc(C)cc2)cc1OC 17076487 JZCUXOCFVYJNBY-UHFFFAOYSA-N 373.478 2.250 50 50 FEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(=O)OC)cc2)cc1 4302773 PUUZXWFYGMPURC-UDWIEESQSA-N 353.378 2.124 50 50 FEGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c([N+](=O)[O-])cc1OC 1232479 CDJJTSXMYMLMBJ-MRXNPFEDSA-N 371.349 2.427 50 50 FEGA O=C(Cn1ccc2ccccc21)NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42 793438685 GWMQVMHBTSXYHO-IPNWYOHZSA-N 361.445 2.183 50 50 FEGA COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 4258757 UBIOEXHMFHKBIN-VXLYETTFSA-N 359.769 2.215 50 50 FEGA Cc1ccc(C(=O)O[C@@H]2C(=O)OC(=O)[C@H]2OC(=O)c2ccc(C)cc2)cc1 100555554 BCIJHROJBLWCLV-HOTGVXAUSA-N 368.341 2.138 50 50 FEGA O=C(OCc1ccccc1)N1CCN=C(O)[C@@H](I)C1 328578335 IDLIEFQJZZOAKE-NSHDSACASA-N 374.178 2.399 50 50 FEGA CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)NN)c(Cl)cc1Cl 731450419 PXFPGXKCTIDOHG-ZETCQYMHSA-N 354.259 2.064 50 50 FEGA CCOC(=O)COc1ccccc1/C=N/NC(=O)c1ccccc1OC 1199783 GHGFKSFMWAINNQ-UDWIEESQSA-N 356.378 2.401 50 50 FEGA Cn1c(=O)c2c(-c3ccccc3)n(CCBr)cc2n(C)c1=O 2383712 VJZGYHXYGSZSCI-UHFFFAOYSA-N 362.227 2.101 50 50 FEGA CC(=O)c1cccc(NC(=S)NNC(=O)c2c(Cl)c(C)nn2C)c1 2852815 MKTPJQVGVSHJGE-UHFFFAOYSA-N 365.846 2.216 50 50 FEGA O=C(N/N=C/c1ccccc1O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 2172256 BEUOUHHWTCTHOR-CAOOACKPSA-N 362.729 2.043 50 50 FEGA CC(C)(C)[Si](OC[C@@H]1OCC(=O)O1)(c1ccccc1)c1ccccc1 169900078 LXNNUTBRNIWRDB-LJQANCHMSA-N 356.494 2.463 50 50 FEGA Cc1ccc(S(=O)(=O)NCC2(NC(=O)CCl)CCCCC2)cc1 1875384948 YYQUUWZUAQIQOM-UHFFFAOYSA-N 358.891 2.331 50 50 FEGA N#Cc1c(NC(=O)C(=O)N/N=C/c2ccc(O)cc2)sc2c1CCCC2 4209939 FBDOCIMZSJNQJX-KEBDBYFISA-N 368.418 2.293 50 50 FEGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)cc3F)[C@H]2C1 35474388 DOUUEAURWIGEGL-RDJZCZTQSA-N 351.360 2.320 50 50 FEGA O=C(NNS(=O)(=O)c1csnc1-c1ccccc1)C1CCCC1 864097488 UMGDESBQSZSWPM-UHFFFAOYSA-N 351.453 2.310 50 50 FEGA Cc1ccc(S(=O)(=O)NNC(=O)c2sccc2-n2cccc2)cc1 5929766 MTWMUQDKDNVFLV-UHFFFAOYSA-N 361.448 2.471 50 50 FEGA CCN(CC)c1ccc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc1 4320381 ORIVGLYKFWDKCR-RVDMUPIBSA-N 350.426 2.240 50 50 FEGA CCn1c(SCC(=O)NN)nnc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1 2568964 AAVCCTUSLWZLMF-VXGBXAGGSA-N 351.863 2.305 50 50 FEGA O=C(N/N=C/c1ccccc1O)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 12338831 BVSUXBVSWRPPOZ-DJKKODMXSA-N 350.334 2.275 50 50 FEGA O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1ccco1 20079975 IWYWWPZNZWDJRC-UDWIEESQSA-N 360.845 2.201 50 50 FEGA CCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O 100551234 JETBSSPMELSASH-UHFFFAOYSA-N 359.426 2.366 50 50 FEGA Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)[C@@H](O)c1ccccc1 100462265 GBOMZSUFMTZVJF-RONKMWSCSA-N 350.378 2.070 50 50 FEGA Cc1ccc(OCC(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)c(C)c1 18254673 CEGASBJTFHLIEE-UHFFFAOYSA-N 368.349 2.063 50 50 FEGA O=C(O)[C@@H](Br)[C@H](Br)C(=O)Nc1ccc(F)cc1 1737988 LMZKMNORDXLHAZ-YUMQZZPRSA-N 368.984 2.376 50 50 FEGA COc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(OC)c1 2831480 FCQFSOYEJCXLKM-RQZCQDPDSA-N 374.309 2.284 50 50 FEGA COC(=O)c1ccc(/C=N/NC(=O)CS[C@H]2Nc3ccccc3O2)cc1 2325809555 ISIYKQQVTTUOBH-JHBOHYQCSA-N 371.418 2.445 50 50 FEGA C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=S)NCc1ccco1 2851429 AIVFITMBTNZYBH-LBPRGKRZSA-N 359.451 2.231 50 50 FEGA C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCCSS(=O)(=O)O 1951062 KGFMURPIPFDQJR-JTQLQIEISA-N 358.441 2.361 50 50 FEGA biogenic O=C(CCl)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 1875374816 GCXUIAMMKYYSPO-VIFPVBQESA-N 352.637 2.023 50 50 FEGA COC(=O)Cc1[nH]nc2c1[C@@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 4625111 XTIZVMWYLCRRRT-INIZCTEOSA-N 368.393 2.131 50 50 FEGA C/C(=N\OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccs1 35337211 OZBXYRXZPCJTPJ-DKHJZJQXSA-N 362.367 2.253 50 50 FEGA CCCCOC(=O)C1=C(C)O[C@]23OC(N)=C(C#N)[C@]12C(=O)c1ccccc13 2474571 YUHCVSGEAUQIIL-WOJBJXKFSA-N 366.373 2.394 50 50 FEGA COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2-n2cccc2)cc1 1394365 NQWWPBFQZMCESS-UHFFFAOYSA-N 371.418 2.109 50 50 FEGA CCc1n[nH]c2c1[C@@H](c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2 32513707 GMQMBSKXNJVOMQ-ZDUSSCGKSA-N 356.382 2.216 50 50 FEGA O=C1Nc2ccccc2/C1=N/NC(=O)c1ccc(O)c(Br)c1 5650254 DVYROYVZVXJCFP-UHFFFAOYSA-N 360.167 2.241 50 50 FEGA O=C(Cn1nnc2ccccc21)N/N=C/c1cccc(Br)c1 1500989 SRISMCOAYDLCDV-RQZCQDPDSA-N 358.199 2.344 50 50 FEGA CCCn1c(=O)c(C(=O)N/N=C/c2ccncc2)c(O)c2ccccc21 101123488 ZLYHNXDFXPIYFY-CIAFOILYSA-N 350.378 2.276 50 50 FEGA COC(=O)c1ccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 3085521 BVGCQKWWIJFZSS-UFFVCSGVSA-N 373.796 2.007 50 50 FEGA COc1ccc(/C=N/NC(=O)c2cncc(Br)c2)cc1O 1234888 XPMOMTWMKOPFAP-UBKPWBPPSA-N 350.172 2.322 50 50 FEGA O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41 792811605 ZGYVRLIVPFYLRP-ZCHBXKNESA-N 361.445 2.252 50 50 FEGA N#CC1=C(N)Oc2[nH]nc(-c3cccnc3)c2[C@@H]1c1ccc([N+](=O)[O-])o1 4572548 BPEDIAWHBQQNEC-LBPRGKRZSA-N 350.294 2.191 50 50 FEGA C[C@@H]1[C@@H](N2C[C@H](C(=O)NNC(=O)c3cccs3)CC2=O)CCC[C@H]1C 252444120 XNJHIJIQMFUKIO-RQJABVFESA-N 363.483 2.182 50 50 FEGA CCOc1cccc(C(=O)NNC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)c1 2784804 WORUUAZBHINRRY-CVEARBPZSA-N 360.410 2.294 50 50 FEGA O=C(NNC(=O)[C@H]1CC(c2cccnc2)=NO1)Nc1ccc(Cl)cc1 1394669 QWMTYMIRJPVXIZ-CQSZACIVSA-N 359.773 2.081 50 50 FEGA CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2ccsc2)C(C#N)=C(N)O1 808825 BVUTXUFMKKSBGZ-CQSZACIVSA-N 362.407 2.326 50 50 FEGA Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc4c(c3)OCO4)CC2=O)cc1 1022368 YLBDMOHOGJTJGB-LKKXKRCMSA-N 365.389 2.227 50 50 FEGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c(OC)c1C 4990554 NRSNFYWLEDZOON-OAHLLOKOSA-N 354.362 2.492 50 50 FEGA COc1ccc(S(=O)(=O)NC(=O)/C(C#N)=C\c2ccco2)c(C)c1C 117539459 DVJOPEHLFDJDBF-LCYFTJDESA-N 360.391 2.317 50 50 FEGA COc1cc(/C=N/NC(=O)c2cc(C)on2)cc(Br)c1O 1005607 SORRBIYIKBHAKO-GIDUJCDVSA-N 354.160 2.224 50 50 FEGA O=C(CCP(c1ccccc1)c1ccccc1)ON1C(=O)CCC1=O 100484631 QRRPSWGREIRROT-UHFFFAOYSA-N 355.330 2.117 50 50 FEGA CC1=C(C(=O)OC(C)(C)C)[C@@]2(C(=O)Nc3cc(F)ccc32)C(C#N)=C(N)O1 994169 DSTICRSEOXFNOR-IBGZPJMESA-N 371.368 2.355 50 50 FEGA COc1ccc(CC(=O)NNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 2852909 FEBQWWXHRLZPNI-UHFFFAOYSA-N 374.353 2.007 50 50 FEGA COC(=O)[C@@H]1C(=O)NC(SCC#N)=C(C#N)[C@@H]1c1ccccc1Cl 2862360 ZNVJXTUBJWBTGU-STQMWFEESA-N 361.810 2.335 50 50 FEGA O=C(NCc1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1 2902969 DWIFPFSAALGCKF-YBFXNURJSA-N 360.211 2.216 50 50 FEGA O=C(NNC(=S)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1O 6633504 LQISKDDWPHEIKV-UHFFFAOYSA-N 365.798 2.406 50 50 FEGA COc1cccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c1OC 691451 UCXZYSYHXNSSLT-QGZVFWFLSA-N 368.437 2.281 50 50 FEGA CC(=O)NNc1nc(C)c(C(/C=C/c2ccccc2)=N/NC(N)=S)s1 5792552 DIVLUBBAUBISLN-QEXYRNNXSA-N 374.495 2.165 50 50 FEGA COc1cccc(NC(=O)NNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1 17076553 QTYRQPJKPRIEDY-UHFFFAOYSA-N 374.353 2.144 50 50 FEGA Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN3CCOCC3)c2C)c1 19787910 KNWYLDFBDSERDS-FYJGNVAPSA-N 354.454 2.185 50 50 FEGA O=C(C(I)I)C(F)(F)F 100035488 TZNDOSTUAWYRRY-UHFFFAOYSA-N 363.842 2.314 50 50 FEGA CCOC(=O)[C@H](Br)CC[C@@H](Br)C(=O)OCC 1681232 UBCNJHBDCUBIPB-HTQZYQBOSA-N 360.042 2.420 50 50 FEGA C[C@@H]1CCc2c(C(=O)NNC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)csc2C1 239030828 CJLURVPBDUPPMU-DQJMSKHYSA-N 374.462 2.157 50 50 FEGA O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 7386161 MTPKSRIJUSUEKW-UHFFFAOYSA-N 371.374 2.371 50 50 FEGA CCOc1ccc([C@@H](C)NC(=O)NCCNC(=O)[C@H](C)Cl)cc1OC 253426639 KUIZYNNGEPGMFO-NWDGAFQWSA-N 371.865 2.198 50 50 FEGA CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@@H](C)Cl)CC2)cc1 1875364654 PLMANVRCOBZZAV-ZIAGYGMSSA-N 352.862 2.314 50 50 FEGA Cc1cccc(OCC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1C 989882 KCSXYQOJVRSYBA-UFWORHAWSA-N 371.349 2.469 50 50 FEGA CC1=C(C)C[C@H](C(=O)NNC(=O)Cc2ccc(Cl)cc2)[C@@H](C(=O)O)C1 2789409 BPHFIJKSTXWYFH-GJZGRUSLSA-N 364.829 2.477 50 50 FEGA Cc1c(C(=O)NNC(=O)c2ccc(Br)o2)cccc1[N+](=O)[O-] 999965 CTHWHFFJQBORML-UHFFFAOYSA-N 368.143 2.334 50 50 FEGA Cc1cc(C)nc(NNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)n1 171794991 FDNVOXJSHJJNIC-RDJZCZTQSA-N 353.426 2.146 50 50 FEGA CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc(OC)cc1OC 57509098 NNQIMXHHRMWQMR-CQSZACIVSA-N 354.790 2.114 50 50 FEGA COc1ccc(O)c(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1 4261121 FPCOAGPFZQIMAK-DJKKODMXSA-N 361.785 2.451 50 50 FEGA CC1(C)O[C@H]2O[C@H](COCc3ccccc3)[C@H](OC(=O)CCl)[C@H]2O1 2506805 ZPRVBHKLXAPLQI-SLBVQIDZSA-N 356.802 2.230 50 50 FEGA COc1cc(OC)c(C(=O)NNC(=S)NC2CCCCC2)cc1OC 8682325 CMXWQBAFCOVOJD-UHFFFAOYSA-N 367.471 2.154 50 50 FEGA C[C@H]1COCCN1c1cc(CI)nc(Cl)n1 114485286 XCOOZBOFPOZBFU-ZETCQYMHSA-N 353.591 2.290 50 50 FEGA Cc1cccc2c1NC(=O)[C@]21C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 4655629 CMQPZLBLUZFQMT-NRFANRHFSA-N 371.352 2.426 50 50 FEGA biogenic,in-vitro CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1057807 RGRBTWDSTLHVRP-UHFFFAOYSA-N 370.365 2.264 50 50 FEGA COc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2cc(O)cc(O)c2)cc1 6412932 NKNSUMWJLGGANB-KEBDBYFISA-N 352.350 2.260 50 50 FEGA CN(C)NC(=O)Nc1ccc(Cc2ccc(NC(=O)NN(C)C)cc2)cc1 39310933 AQABZFKTYXFIJF-UHFFFAOYSA-N 370.457 2.474 50 50 FEGA in-vitro COc1cc(/C=N\NC(=O)CNc2ccccc2C)cc([N+](=O)[O-])c1O 32593040 NDNIPLGQTWWARP-OCKHKDLRSA-N 358.354 2.180 50 50 FEGA COc1cc(/C=N/NC(=O)COc2cccc(C)c2)cc([N+](=O)[O-])c1O 36020384 UZUFSCZHQMQTRI-GIJQJNRQSA-N 359.338 2.147 50 50 FEGA C/C(=N\NC(=O)CN1CCN(Cc2ccccc2)CC1)c1ccc(O)cc1 19371664 XZIVHSBNMNZZFO-OQKWZONESA-N 366.465 2.050 50 50 FEGA N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc2nccnc2c1 1889699 FGYHLIHEFHCMPP-FVWOBLMASA-N 358.405 2.131 50 50 FEGA in-vitro CC1=NNC(=O)[C@H]1CCC(=O)N/N=C(\C)c1ccc(Br)cc1 100574560 CJVYIWCGSNAXNH-YRUBURHZSA-N 365.231 2.191 50 50 FEGA O=C(N/N=C/c1ccncc1)c1cccc(I)c1 1193063 VHVGPGBNHFRZPV-CXUHLZMHSA-N 351.147 2.450 50 50 FEGA O=C(N/N=C/c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1 4229673 XDFRANOBVHCGBE-QGMBQPNBSA-N 364.720 2.476 50 50 FEGA O=C(Cl)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2556846 RYQIQECSYJRDBT-AWEZNQCLSA-N 368.798 2.250 50 50 FEGA in-vitro CCCc1ccc(OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 817938 UOLAZUBEQBJXDX-GOSISDBHSA-N 370.405 2.005 50 50 FEGA COC(=O)c1ccc(/C=N/NC(=O)CS[C@@H]2Nc3ccccc3O2)cc1 2325809554 ISIYKQQVTTUOBH-HRYJJRBTSA-N 371.418 2.445 50 50 FEGA O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(Br)o2)cc1 25539237 LAAJZFIZAUAHNC-FRKPEAEDSA-N 367.155 2.269 50 50 FEGA CNC(=O)[C@H](CNC(=O)[C@H](C)Cl)Cc1ccc(C(F)(F)F)cc1 1875380667 VRJIQXVMTPJCEU-ONGXEEELSA-N 350.768 2.354 50 50 FEGA COc1cc(/C=N/NC(=O)CSc2ccccn2)cc(OC)c1OC 1226791 XAQAAEFEDVTWQH-VXLYETTFSA-N 361.423 2.350 50 50 FEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OC)cc1 2573359 UTJIQOFRWLTVNJ-UDWIEESQSA-N 355.394 2.355 50 50 FEGA CCOC(=O)c1ccc(NC(=S)NNC(=O)Cc2cccs2)cc1 2858428 HWIVCLBXIYPVQJ-UHFFFAOYSA-N 363.464 2.485 50 50 FEGA O=C1Nc2ccccc2/C1=N\NC(=O)c1n[nH]c2c1CCc1ccccc1-2 5093109 HWGCWSRSGLFUEX-UHFFFAOYSA-N 357.373 2.262 50 50 FEGA C[C@@H](Oc1ccccc1)C(=O)NNC(=S)Nc1ccc2c(c1)OCO2 6571844 JHNIUNITYDXWID-LLVKDONJSA-N 359.407 2.200 50 50 FEGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)cc3F)[C@@H]2C1 4149562 DOUUEAURWIGEGL-WBVHZDCISA-N 351.360 2.320 50 50 FEGA CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2ccccc2)C(C#N)=C(N)O1 1196029 VHXHMWSPAVOSRV-MRXNPFEDSA-N 356.378 2.265 50 50 FEGA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(B(O)O)cc1F 216701041 PDOXRNGFOOHMLN-UHFFFAOYSA-N 355.171 2.182 50 50 FEGA Cc1cc(C)nc(NNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)n1 171794982 FDNVOXJSHJJNIC-NVXWUHKLSA-N 353.426 2.146 50 50 FEGA Cc1nn(C)c(C)c1/C=N/NC(=O)C1(O)c2ccccc2-c2ccccc21 2756183 CRHBLKNSQOUBSF-WSDLNYQXSA-N 360.417 2.404 50 50 FEGA O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1cc(Cl)ccc1O 55468388 VOIIKFGCOQTMJF-OSKGYPLHSA-N 357.797 2.026 50 50 FEGA CCCc1cc(C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)cs1 239302498 FJCJOGAMRAYXOZ-UOVKNHIHSA-N 362.451 2.375 50 50 FEGA O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1ccncc1 95851134 IOJJFQZNYMYDKY-LPYMAVHISA-N 371.872 2.003 50 50 FEGA COC(=O)c1ccc(-c2n[nH]c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1112719 IXUYAPYSJNSSKC-OAHLLOKOSA-N 373.372 2.476 50 50 FEGA O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1c(F)cccc1Cl 5029870 FSEISVIDWGYIAT-VZNJDKNISA-N 359.788 2.459 50 50 FEGA CN(CC(=O)NCCSSCCC(=O)O)c1ccc(C#N)cc1F 1875388921 VRCUEIANQPMENW-UHFFFAOYSA-N 371.459 2.106 50 50 FEGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(F)c2)cc1 4295850 SKZFOQPMAGQAGQ-WSDLNYQXSA-N 357.385 2.495 50 50 FEGA COC(=O)[C@@](O)([C@@H](Cl)C(=O)Nc1cc(F)ccc1C)C(F)(F)F 2769582 WVJXPSOUIVRWKW-CABZTGNLSA-N 357.687 2.146 50 50 FEGA Cc1ccc(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 1228167 LISGGHXHFVEFFW-QGMBQPNBSA-N 357.322 2.161 50 50 FEGA Cc1ccccc1-c1nc(COc2cccc(B(O)O)c2C=O)c(C)o1 2325826000 LEWLKTRROZUNBX-UHFFFAOYSA-N 351.167 2.030 50 50 FEGA CC(C)(C)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccccc3)cc2C1=O 2875265 WWAFBWHBDHZGJR-UHFFFAOYSA-N 365.389 2.156 50 50 FEGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)c1ccc(Cl)cc1O 25760122 NHKGVIYESZNBAQ-UHFFFAOYSA-N 360.713 2.040 50 50 FEGA C=CC(=O)N1CCC(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)CC1 2325889465 RVZZXDRKYJMVMU-UHFFFAOYSA-N 370.236 2.179 50 50 FEGA CCN(CC)C(=O)NCC(=O)NNC(=O)Nc1cccc2ccccc12 2143417 IVQKFJFTIUSXRO-UHFFFAOYSA-N 357.414 2.044 50 50 FEGA Cc1cccc(C)c1NC(=O)C(=O)NCCSSCCC(=O)O 1875388536 FXQMBTRGHUJUSR-UHFFFAOYSA-N 356.469 2.214 50 50 FEGA O=C(O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)c1 245309093 ASVKLUWKYSBFHR-HKLHZYFVSA-N 354.189 2.355 50 50 FEGA CCn1ncc2cc(C(=O)NCCSSCCC(=O)O)c(C)nc21 1875388434 AVACWCRFZYFHAU-UHFFFAOYSA-N 368.484 2.346 50 50 FEGA Cc1cc2c(c(=O)n1Cc1cccnc1)[C@@H](c1cccnc1)C(C#N)=C(N)O2 730229 PPNKKJJZRKHOEU-SFHVURJKSA-N 371.400 2.213 50 50 FEGA N#C/C(=C\c1ccccc1OCCOc1ccc([N+](=O)[O-])cc1)C(N)=O 2966860 XQWAVWVBWXRSDK-SDNWHVSQSA-N 353.334 2.445 50 50 FEGA C/C(=N\NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 4737990 SPJZACVUOLGBAD-SRZZPIQSSA-N 373.796 2.339 50 50 FEGA CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)CN1C(=O)[C@@H]3CC=CC[C@H]3C1=O)C2 253630092 AYMRRJAUYALEBB-MJOZWNRUSA-N 357.454 2.256 50 50 FEGA COc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1OC 2831472 OIMZMTQGHYGAOE-RQZCQDPDSA-N 374.309 2.284 50 50 FEGA O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1cc(Cl)ccc1O 55468391 VOIIKFGCOQTMJF-LPZCBPBVSA-N 357.797 2.026 50 50 FEGA O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)NC12CC3CC(CC(C3)C1)C2 5061146 YWQWKNUCNXUSIH-UHFFFAOYSA-N 372.425 2.437 50 50 FEGA CCCc1ccc(OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 817939 UOLAZUBEQBJXDX-SFHVURJKSA-N 370.405 2.005 50 50 FEGA O=C(Cn1nnc2ccccc21)N/N=C/c1cc(Br)ccc1O 993705 HZMQBZHCRALDPZ-CAOOACKPSA-N 374.198 2.050 50 50 FEGA O=C(N/N=C/c1cnc(S(=O)(=O)c2ccccc2)s1)c1ccco1 5774814 OCNUARRHCPFKMK-LICLKQGHSA-N 361.404 2.333 50 50 FEGA Cc1nn(C)cc1NC(=S)NNC(=O)c1ccc(Br)cc1 2799638 TUDRQFWWTHLUQR-UHFFFAOYSA-N 368.260 2.122 50 50 FEGA COc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)c1O 4366109 NVCOFYGCQMIRIH-VDCVXVNISA-N 359.338 2.227 50 50 FEGA C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)COc1ccccc1 100300082 PRBRQVNCXDCUAQ-DEDYPNTBSA-N 370.365 2.495 50 50 FEGA O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc2c(c1)OCO2 5094624 YCKDNWHORVGOCE-UBKPWBPPSA-N 363.713 2.446 50 50 FEGA COc1cc(C=NNC(=O)CC#N)ccc1OCc1ccc(C(=O)O)cc1 252680322 ZBVANGRFULBBAI-UHFFFAOYSA-N 367.361 2.336 50 50 FEGA C[C@H](Cl)C(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1875370304 JRFKYJWQVXLLCA-XVMARJQXSA-N 354.678 2.214 50 50 FEGA O=S(=O)(c1ccc(B(O)O)cc1)N(C1CCCCC1)C1CCCCC1 169744430 ACTWYRIOPGJBCA-UHFFFAOYSA-N 365.304 2.023 50 50 FEGA COC(=O)[C@](O)([C@@H](Cl)C(=O)Nc1ccc(C)c(F)c1)C(F)(F)F 2770085 DKMUMHMORVLGCA-JOYOIKCWSA-N 357.687 2.146 50 50 FEGA CCOc1cccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c1O 1197473 RCZOLRABNDBRRB-VCHYOVAHSA-N 359.338 2.228 50 50 FEGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1cccc([N+](=O)[O-])c1 3032121 BEMLRZNOEBEDHU-DJKKODMXSA-N 360.757 2.128 50 50 FEGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccccc1F 19833923 AGYMHNVJOFQPJE-HYARGMPZSA-N 354.429 2.094 50 50 FEGA C/C(=N\NC(=O)COc1ccc(C)c(C)c1)c1cccc(-n2cnnn2)c1 8182683 XNLXWZSVDKQCJR-RCCKNPSSSA-N 364.409 2.198 50 50 FEGA CC(=O)N(C)c1ccc(C(=O)NNc2nc(O)c3ccccc3n2)cc1 787899758 HGILNKFZMNQZNC-UHFFFAOYSA-N 351.366 2.075 50 50 FEGA N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 16790525 GYTGJPJFCRHXCT-UAWPZABVSA-N 359.234 2.204 50 50 FEGA O=C(Nc1ccc(Br)cc1Cl)c1cc(F)cc(B(O)O)c1 169744399 WGRZZNNYNCSAOP-UHFFFAOYSA-N 372.386 2.174 50 50 FEGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@]21C(=O)Nc2ccccc21 4728127 QKBRVAPKHJIKRW-SFHVURJKSA-N 367.386 2.168 50 50 FEGA O=C(N/N=C/c1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 8462878 VHQDGMISZICSMN-LZYBPNLTSA-N 354.282 2.143 50 50 FEGA CN(C)N1C(N)=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CCCC2=O 1080073 NKHGCGCIDJRTQF-INIZCTEOSA-N 353.382 2.172 50 50 FEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(OC)c2c(c1)OCO2 659368 OJCPQQPFBYFRBO-HNNXBMFYSA-N 358.350 2.069 50 50 FEGA CCc1[nH]nc2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 4168439 NAXCKDUFWJOUNY-AWEZNQCLSA-N 356.382 2.216 50 50 FEGA CC(C)(C)[Si](OC[C@H]1OCC(=O)O1)(c1ccccc1)c1ccccc1 169900081 LXNNUTBRNIWRDB-IBGZPJMESA-N 356.494 2.463 50 50 FEGA N#CC(C#N)=C(N)/C(C#N)=C/c1cccc(/C=C(/C#N)C(N)=C(C#N)C#N)c1 253471735 YGTRHZRYWRLODR-OPCYYNASSA-N 362.356 2.020 50 50 FEGA Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc4c(c3)OCO4)CC2=O)cc1 1022370 YLBDMOHOGJTJGB-SBUZPKSBSA-N 365.389 2.227 50 50 FEGA CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2cccc(F)c2)C(C#N)=C(N)O1 680175 KZNFNYPSLMICHD-MRXNPFEDSA-N 374.368 2.404 50 50 FEGA CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccc([N+](=O)[O-])cc1 1297417 ZCDVRUVGHFGWBF-CYBMUJFWSA-N 363.757 2.458 50 50 FEGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)[C@H]1C[C@H]1c1ccccc1 4832828 NZMVAWWLAMYNHQ-STQMWFEESA-N 350.334 2.171 50 50 FEGA COc1ccc(-c2cncc(C(=O)NNc3ncnc4nc[nH]c34)c2)cc1 136912530 WMFTZTLETOQMHH-UHFFFAOYSA-N 361.365 2.180 50 50 FEGA COc1ccc(N(NS(=O)(=O)O)C(=O)c2ccc(Cl)cc2)cc1 3001388 NEXGPALQRIWINW-UHFFFAOYSA-N 356.787 2.303 50 50 FEGA C[C@@H](Oc1cccc(B(O)O)c1C=O)c1nc(-c2ccc(Cl)cc2)no1 2325825983 KKYPEXNVPVTZJH-SNVBAGLBSA-N 372.573 2.022 50 50 FEGA CCOc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1ccccc1 2750092 HFLJJMJCBVCEHH-RGVLZGJSSA-N 356.382 2.105 50 50 FEGA COCCCNC(=S)NNC(=O)c1cc(C2CC2)nc2ccccc12 7061936 CDWKZHWVTCLOLF-UHFFFAOYSA-N 358.467 2.258 50 50 FEGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1O 4282989 KYVCKTRQNANEKZ-DJKKODMXSA-N 361.785 2.451 50 50 FEGA COc1cc([C@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)c([N+](=O)[O-])cc1OC 754548 JEOPSZHOGDAAPC-INIZCTEOSA-N 359.338 2.283 50 50 FEGA CCn1nnc2c1CC[C@@H](C(=O)NNc1cccc(-c3cccnc3)n1)C2 1875297624 YWIYTEHHYLFFTN-CYBMUJFWSA-N 363.425 2.003 50 50 FEGA COc1ccc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)c(OC)c1OC 13635479 IGSBHJWBAHMGLF-ZVBGSRNCSA-N 354.366 2.353 50 50 FEGA COc1cc(B(O)O)c2cc(Br)ccc2c1Br 261493452 BJALALLCOHYLTI-UHFFFAOYSA-N 359.810 2.053 50 50 FEGA Cc1cc(C(=O)NNC(=S)NCCc2ccccc2)ccc1[N+](=O)[O-] 2852970 XBRPPBHLXWETBM-UHFFFAOYSA-N 358.423 2.255 50 50 FEGA O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1ccncc1 4702585 UXYCSDBHKSRQDL-FRKPEAEDSA-N 365.143 2.222 50 50 FEGA CC(C)(C)OC(=O)N(CCCOc1ccc(B(O)O)cc1Cl)C1CC1 230556956 YWNMFJODZLFUNW-UHFFFAOYSA-N 369.654 2.188 50 50 FEGA CCN(CC)c1ccc(/C=N/NC(=O)Cn2nnc3ccccc32)c(O)c1 19321884 QPKTYNQGTIYCMF-UDWIEESQSA-N 366.425 2.133 50 50 FEGA CC(C)NC(=O)/C(C#N)=C/c1c(Br)n[nH]c1Br 821030922 DOCUMVNNMKYOKN-ZZXKWVIFSA-N 362.025 2.366 50 50 FEGA O=C(NNC(=O)[C@@H]1CC(c2cccnc2)=NO1)Nc1ccccc1Cl 1398965 BMWPBHOFKJXAPB-AWEZNQCLSA-N 359.773 2.081 50 50 FEGA N#CC1=C(N)Oc2ccccc2[C@]12C(=O)Nc1[nH]nc(-c3ccccc3)c12 13124612 MVHQNQJELPNVRY-FQEVSTJZSA-N 355.357 2.401 50 50 FEGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C1CCCC2=O 1151915 PNOQQXYXYZAMIY-INIZCTEOSA-N 353.382 2.172 50 50 FEGA O=C/C(=C\Nc1ccc(S(=O)(=O)CCO)cc1)c1nc2ccccc2o1 101123552 CWKASLSOJPSYBR-ACCUITESSA-N 372.402 2.246 50 50 FEGA Cc1cc(C)nc(NNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)n1 171794985 FDNVOXJSHJJNIC-DOTOQJQBSA-N 353.426 2.146 50 50 FEGA CN(C)N1C(N)=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CCCC2=O 1080074 NKHGCGCIDJRTQF-MRXNPFEDSA-N 353.382 2.172 50 50 FEGA CCCNC(=S)NNC(=O)c1cccc(OC(F)(F)C(F)F)c1 2794653 BYUGTWUOJAECMP-UHFFFAOYSA-N 353.341 2.442 50 50 FEGA Cc1cc(C(=O)NCCSSCCC(=O)O)c2c(C)noc2n1 1875388635 JOQMBOLWYWVNGO-UHFFFAOYSA-N 355.441 2.426 50 50 FEGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc([N+](=O)[O-])s1 2896608 OOFMHGDAOQQZPX-VGOFMYFVSA-N 350.312 2.094 50 50 FEGA O=C1Nc2ccccc2/C1=N\NC(=O)[C@H]1COc2cc3ccccc3cc2O1 5650324 MFMBRHUUKFQEQA-GOSISDBHSA-N 373.368 2.452 50 50 FEGA CCn1c(SCC(=O)NN)nnc1[C@H]1C[C@@H]1c1ccc(Cl)cc1 2732068 AAVCCTUSLWZLMF-NEPJUHHUSA-N 351.863 2.305 50 50 FEGA Cc1ccc(Cl)c(O[C@H](C)C(=O)NNC(=S)NC[C@@H]2CCCO2)c1 6844620 QWEZFQIJTWZPFK-NEPJUHHUSA-N 371.890 2.090 50 50 FEGA C#C[C@H](OC(=O)NC(=O)CCBr)C(Cl)(Cl)Cl 5494284 INQVHZJYNIBDNI-YFKPBYRVSA-N 351.411 2.396 50 50 FEGA CCN1CC=C2[C@@H](C1)[C@H](c1ccccc1OC)C(C#N)=C(N)C2(C#N)C#N 669159 JBRHDFRKSIJXIR-VQIMIIECSA-N 359.433 2.440 50 50 FEGA CC(C)(C)[Si](O[C@H]1CN[C@H](C(=O)O)C1)(c1ccccc1)c1ccccc1 196152209 LHSRURYOCDIZEW-APWZRJJASA-N 369.537 2.378 50 50 FEGA O=C(O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1 239173729 OOBGVVFRNDCBEK-DZDPUUJWSA-N 354.189 2.355 50 50 FEGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc([N+](=O)[O-])c1O 35334658 BKDKASNTQAOPPL-CQSZACIVSA-N 357.322 2.124 50 50 FEGA Cc1nc(-c2cccc(C(=O)NCCSSCCC(=O)O)c2)n[nH]1 1875388812 RFUAPNZWVXPPHG-UHFFFAOYSA-N 366.468 2.366 50 50 FEGA COC(=O)Nc1ccccc1C(=O)NCCSSCCC(=O)O 1875388929 VVQRYHIDTKMXGG-UHFFFAOYSA-N 358.441 2.451 50 50 FEGA COc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2)c(OC)c1 1229873 UJRAMLWTEQHLRL-UHFFFAOYSA-N 364.785 2.197 50 50 FEGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc([N+](=O)[O-])c1O 35334659 BKDKASNTQAOPPL-AWEZNQCLSA-N 357.322 2.124 50 50 FEGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccncc1 2553716 NMTJHTBCUTUKFY-DNTJNYDQSA-N 351.193 2.269 50 50 FEGA COc1ccc(OCC(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1 4229172 UEWIMLLITBUTEG-RGVLZGJSSA-N 351.362 2.066 50 50 FEGA O=C(N/N=C/c1ccc(O)cc1)C(=O)Nc1ccc(Br)cc1 2379924 CGAFPZXJXKZSFW-RQZCQDPDSA-N 362.183 2.244 50 50 FEGA COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 1233761 PCKVASYGPIUMJD-VCHYOVAHSA-N 359.338 2.385 50 50 FEGA Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2-n2cccc2)cc1 1394333 HABQUSHKHNDTSC-UHFFFAOYSA-N 355.419 2.409 50 50 FEGA COc1ccc(OC)c(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1 1192238 FSKJSFUMEZMXMI-GIJQJNRQSA-N 360.439 2.353 50 50 FEGA CCS(=O)(=O)c1ccccc1N1CCC(NC(=O)[C@H](C)Cl)CC1 1875364887 XELIBIDJHVMYKQ-LBPRGKRZSA-N 358.891 2.193 50 50 FEGA C/C(=N\NC(=O)CN1CCN(Cc2ccccc2)CC1)c1ccccc1O 19833688 HORJRNMLGGPFOM-OQKWZONESA-N 366.465 2.050 50 50 FEGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(-c2ccco2)n[nH]1 9068585 JOVAHLHZCDSGMA-VXLYETTFSA-N 370.365 2.459 50 50 FEGA C/C(=N/NC(=O)c1ccccn1)c1ccc(NC(=O)c2ccnn2C)cc1 5826704 DGZOTNWMAVIWBT-QRVIBDJDSA-N 362.393 2.221 50 50 FEGA C[C@H](Oc1ccccc1)C(=O)NNC(=S)Nc1ccc2c(c1)OCCO2 6398945 UAMRREDHXOVNRA-LBPRGKRZSA-N 373.434 2.243 50 50 FEGA CC(C)(C)c1ccc(/C=N/NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 17075127 LQWQGHJKRYLDQX-IYSPOMMRSA-N 365.499 2.106 50 50 FEGA Cc1cccc(C)c1OCC(=O)NN=Cc1ccccc1OCC(=O)O 254589300 MLZHRFFBMDQZNY-UHFFFAOYSA-N 356.378 2.296 50 50 FEGA CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@H](C)Cl)s1 1875363458 BPBQZNPIJNGHOJ-JTQLQIEISA-N 352.909 2.065 50 50 FEGA CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2cccs2)C(C#N)=C(N)O1 713593 IHJTZBROYGNFCY-AWEZNQCLSA-N 362.407 2.326 50 50 FEGA O=C(Nc1ccc(F)cc1Br)c1ccc(B(O)O)c(Cl)c1 169744343 WINBNLXYHRVYHN-UHFFFAOYSA-N 372.386 2.174 50 50 FEGA O=C(O)COc1ccccc1/C=N/NC(=O)c1c[nH]nc1-c1cccs1 6554067 HEJCHYYNGIRMOC-QGMBQPNBSA-N 370.390 2.366 50 50 FEGA CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)CCl 4180230 MWPMNXXWWBOTOW-KEBDBYFISA-N 361.785 2.388 50 50 FEGA COc1ccc(OC)c([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c1 1080519 VWLMALCZXLECBC-GOSISDBHSA-N 368.437 2.281 50 50 FEGA COc1ccc(NC(=O)NNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(OC)c1 2851913 HKMHGQJEWYQRQD-UHFFFAOYSA-N 374.353 2.387 50 50 FEGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccc(O)cc1O 4259274 UAZBMILJLSEFKA-SSDVNMTOSA-N 363.373 2.131 50 50 FEGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)o1 2379929 JGLDXNCEJRANCY-LZYBPNLTSA-N 350.172 2.439 50 50 FEGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3OC)[C@H]2C1 4631478 LGKACOQOJXRNEC-PKOBYXMFSA-N 359.433 2.440 50 50 FEGA CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1 17076079 UNKHUAXLVBSUJH-SDNWHVSQSA-N 371.418 2.278 50 50 FEGA CCOc1ccccc1[C@@H]1[C@H]2CN(C)CC=C2C(C#N)=C(N)C1(C#N)C#N 19800665 JWNBGUHOYQEIRG-PKOBYXMFSA-N 359.433 2.440 50 50 FEGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc2c(c1)OCO2 4261041 VLDUWOYZOJIRTD-UFWORHAWSA-N 359.769 2.466 50 50 FEGA COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1 798101 MRDUISPJMOLDEQ-QGZVFWFLSA-N 350.330 2.420 50 50 FEGA CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2ccc(F)cc2)C(C#N)=C(N)O1 803576 AOIKVEWPZKMMMD-MRXNPFEDSA-N 374.368 2.404 50 50 FEGA Cc1cc(=O)oc2cc(NC(=S)NNC(=O)c3cccnc3)ccc12 2858368 NBTCHTHDLVYSRL-UHFFFAOYSA-N 354.391 2.128 50 50 FEGA CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1O 195468044 HGLRBQHXIBHZTD-QJPTWQEYSA-N 365.510 2.079 50 50 FEGA COc1cc(/C=N/NC(=O)[C@H](C)Sc2nc(C)cc(C)n2)ccc1O 1191790 VHJJYXYGLFDJHC-BEAUZRKQSA-N 360.439 2.439 50 50 FEGA CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccc2c(c1)OCO2 1472185 IBBLUDFGBVMUCQ-CQSZACIVSA-N 362.769 2.279 50 50 FEGA Cc1ccc(S(=O)(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 8369771 LYWDIIVFZCSLDR-UHFFFAOYSA-N 364.383 2.227 50 50 FEGA O=C(CCl)Nc1ccc2c(ncn2CCO)c1C(=O)c1ccccc1 1194052 VOZTZYUVKNWNCB-UHFFFAOYSA-N 357.797 2.437 50 50 FEGA COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1 798100 MRDUISPJMOLDEQ-KRWDZBQOSA-N 350.330 2.420 50 50 FEGA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)Cc2ccc(Cl)cc2)C1 2789407 BPHFIJKSTXWYFH-LSDHHAIUSA-N 364.829 2.477 50 50 FEGA NNC(=O)C(=Cc1ccccc1)NC(=O)c1ccc(Br)cc1 2049286244 RDLWCGBLIGBKLZ-UHFFFAOYSA-N 360.211 2.210 50 50 FEGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1cccc(C(F)(F)F)c1 1423725 UKEWYQPGCVIISD-CYBMUJFWSA-N 364.279 2.369 50 50 FEGA COc1ccc(C(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1OC 2391535 VJWSGTPBEONCCE-RGVLZGJSSA-N 351.362 2.309 50 50 FEGA CCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CCC)c1=O 100534768 FXIOZYUQIQJBTC-UHFFFAOYSA-N 359.426 2.458 50 50 FEGA CC(C)=NNC(=O)CN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1 1195869 KVAFDMDIYGACDJ-UHFFFAOYSA-N 370.434 2.154 50 50 FEGA C[C@]1(C(=O)NNC(=S)Nc2ccc3c(c2)OCO3)CC1(Cl)Cl 2852784 CVZFDAHOTMXVEF-GFCCVEGCSA-N 362.238 2.317 50 50 FEGA Cc1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cc1 17073753 COXDCMAGWHFTFF-LBPRGKRZSA-N 357.366 2.344 50 50 FEGA Nc1ccc(C(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)cc1 5593600 PKIPWDZDOLTRBD-UHFFFAOYSA-N 359.183 2.118 50 50 FEGA COc1ccc(-c2[nH]ncc2/C=N/NC(=O)c2ccncc2)c(OC)c1 1213700 KDOWEUAPWQBQSH-SRZZPIQSSA-N 351.366 2.253 50 50 FEGA O=C(N/N=C/c1c(N2CCCC2)nc2ccccn2c1=O)c1ccccc1 1496692 IVGMISNIVVACGP-KGENOOAVSA-N 361.405 2.059 50 50 FEGA Cn1cc(Br)c(C(=O)N/N=C/c2cc(Cl)ccc2O)n1 1092006 SGNKMXIPEWXYEH-PJQLUOCWSA-N 357.595 2.306 50 50 FEGA C=CCOc1cccc(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)c1 4210793 QPORRMRBPPBLSN-LPYMAVHISA-N 351.406 2.440 50 50 FEGA COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 2898071 BGJIIUBYMSBHPP-RGVLZGJSSA-N 353.378 2.179 50 50 FEGA CC1(C)OC(=O)C(=C2[C@@H]3[C@H]4[C@@H](Br)[C@@H]5[C@H]2[C@H]2C[C@@H]5[C@@H]4[C@@H]32)C(=O)O1 245227647 RJGIOBOOMIYNRD-WVAIMSQCSA-N 365.223 2.270 50 50 FEGA O=C(O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc1 100911019 OOBGVVFRNDCBEK-PTEOKISQSA-N 354.189 2.355 50 50 FEGA COc1ccccc1NC(=O)NNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 17076552 LYYNORHOZWWIAS-UHFFFAOYSA-N 374.353 2.144 50 50 FEGA O=C(CNc1ccc(I)cc1)N/N=C/c1ccco1 1226068 VAZRTUBUHWPSQA-LZYBPNLTSA-N 369.162 2.446 50 50 FEGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c(OC)c1C 4990555 NRSNFYWLEDZOON-HNNXBMFYSA-N 354.362 2.492 50 50 FEGA CCCC1=C(C(=O)OCC)[C@@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1 706105 LPELHYVBQWGAFT-IBGZPJMESA-N 353.378 2.218 50 50 FEGA O=C(N/N=C/c1ccc(O)cc1O)C(=O)Nc1cc(Cl)ccc1Cl 2565185 OEBDLVHMQPFEJY-CNHKJKLMSA-N 368.176 2.493 50 50 FEGA O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1cccnc1 711093 BRELQJFUAOJKBB-FRKPEAEDSA-N 365.143 2.222 50 50 FEGA CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)NNS(=O)(=O)c1cn[nH]c1 1875258132 AERSHWBNDFJILU-KDJCLPLCSA-N 368.503 2.352 50 50 FEGA CN(C)c1ccc(/C=N/NC(=O)CN2CCCCC2)cc1Br 831195 BTDWAMOCIJRJEY-WOJGMQOQSA-N 367.291 2.451 50 50 FEGA O=C(N/N=C/c1ccc(O)c(I)c1)c1ccncc1 1214347 IAYFTSXZOFKQIS-LZYBPNLTSA-N 367.146 2.156 50 50 FEGA CCOc1ccc(C(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 8082173 UKCCSTHQJKROJQ-UHFFFAOYSA-N 354.322 2.080 50 50 FEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2coc3ccccc3c2=O)cc1 4331008 RWIBTOGUBPXRDO-SRZZPIQSSA-N 363.373 2.444 50 50 FEGA COc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc(OC)c1OC 1745314 YBLRHBAFJNOOGX-UHFFFAOYSA-N 364.785 2.441 50 50 FEGA CO[C@H](COc1ccccc1)C(=O)NCCSSCCC(=O)O 1875388684 LWKSIDKEOCBXPY-CYBMUJFWSA-N 359.469 2.053 50 50 FEGA O=C(N/N=C/c1ccccc1O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 946078 RRTLJEZGZPHJGL-VCHYOVAHSA-N 351.322 2.454 50 50 FEGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 1427320 IPMLGLQHGICWNB-QGZVFWFLSA-N 373.368 2.485 50 50 FEGA COc1ccc(C(=O)NNC(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 1325338673 JPSDIOJPURREHI-UHFFFAOYSA-N 354.366 2.046 50 50 FEGA O=C(Cn1nnc2ccccc21)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 5740136 KDUQVNQZNYBACG-CAOOACKPSA-N 358.745 2.143 50 50 FEGA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Cl)cc2)n1 74941444 DHKFHTHGZNGJSY-LLVKDONJSA-N 368.846 2.460 50 50 FEGA C[C@H](Cl)C(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1875376194 OQBSINAOGXCCAM-INIZCTEOSA-N 365.905 2.101 50 50 FEGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c(OC)c1OC 2544269 VTOGHLOBYWNEEZ-RGVLZGJSSA-N 371.393 2.110 50 50 FEGA NC(=O)NN=Cc1c[nH]c2ccc3c(c12)S(=O)(=O)c1ccccc1O3 254429636 ZQUGCSMXUVWFKU-UHFFFAOYSA-N 356.363 2.109 50 50 FEGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(N(C)C)cc3)[C@@H]2C1 5199789 ZETKZYTXCFAOPY-MOPGFXCFSA-N 358.449 2.108 50 50 FEGA O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1cccnc1 19862367 VDWRYCDKFIPFIO-LPYMAVHISA-N 371.872 2.003 50 50 FEGA C/C(=N/NC(=O)c1cc(C)on1)c1cccc(NC(=O)c2ccnn2C)c1 5961122 NPVIZMGXLGRWPM-MTJSOVHGSA-N 366.381 2.123 50 50 FEGA CCOC(=O)CCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 2551786 ZJYMDTPRRGDEBL-UHFFFAOYSA-N 370.405 2.223 50 50 FEGA C=CC(=O)N1CCC[C@@H](C(=O)NN(C(=O)c2ccccc2)C(C)(C)C)C1 1875380641 VCUYUAKHBJFYCB-MRXNPFEDSA-N 357.454 2.383 50 50 FEGA COc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1O 1507062 KQLWGVCPQMRYDU-VXLYETTFSA-N 360.366 2.191 50 50 FEGA biogenic O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100289869 NMCZUKFCIXVHSZ-NVNXTCNLSA-N 359.254 2.175 50 50 FEGA Cc1ccc(NCC(=O)N/N=C/c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 252572168 YWOPPUJCFVZGIV-WSDLNYQXSA-N 363.421 2.345 50 50 FEGA CCOc1ccc([C@@H](C)NC(=O)NCCNC(=O)[C@@H](C)Cl)cc1OC 253426643 KUIZYNNGEPGMFO-VXGBXAGGSA-N 371.865 2.198 50 50 FEGA COc1cc(/C=N/NC(=O)c2ccncc2)cc(Br)c1O 863199 JEWQUKKWIYZFPE-CAOOACKPSA-N 350.172 2.322 50 50 FEGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 1212111 YEGGZPPFZMHYJG-RNDVCUHJSA-N 370.340 2.237 50 50 FEGA Cc1[nH]nc2c1[C@H](c1cc(CN3CCOCC3)c(C)s1)C(C#N)=C(N)O2 19931978 RZMSILQIPSKJML-INIZCTEOSA-N 371.466 2.138 50 50 FEGA CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](CI)O[C@@H]2C1 110915658 SVZZQMWNBGDULD-LPEHRKFASA-N 353.200 2.446 50 50 FEGA in-vitro Cc1c(C(=O)NCCSSCCC(=O)O)nnn1-c1ccccc1 1875388502 DOVLJYXZDFTZCH-UHFFFAOYSA-N 366.468 2.162 50 50 FEGA CC1=C(C(=O)OC(C)(C)C)[C@@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1 2500689 NLJMEINOAREEBA-IBGZPJMESA-N 353.378 2.216 50 50 FEGA NNC(=O)c1ccc(COc2ccc(I)cc2)o1 2578465 AWLPGODNUSCQHT-UHFFFAOYSA-N 358.135 2.067 50 50 FEGA COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OC)c2OC)cc1OC 3474670 OSPBFOJOTMEZNQ-RGVLZGJSSA-N 374.393 2.494 50 50 FEGA C[C@@H](Oc1ccccc1)C(=O)NNC(=S)Nc1ccc2c(c1)OCCO2 6399168 UAMRREDHXOVNRA-GFCCVEGCSA-N 373.434 2.243 50 50 FEGA C[C@@H]1CN(S(=O)(=O)c2ccc(CCCCl)cc2)CC[S@@](=O)C1 225657040 GKBYKMGNBVXSAD-LRTDBIEQSA-N 363.932 2.247 50 50 FEGA COc1ccc(C(=O)C[n+]2cccc(C(=O)N/N=C/c3ccco3)c2)cc1 5670395 NJVBNWWYIGAUOS-CIAFOILYSA-O 364.381 2.223 50 50 FEGA CC1=C(C#N)[C@@](NC(=O)c2cccc([N+](=O)[O-])c2)(C(F)(F)F)C(O)=N1 5078194 SHODZJJEQKCIHA-ZDUSSCGKSA-N 354.244 2.393 50 50 FEGA O=C(NNC(=S)NCc1ccccc1)c1ccc(Br)o1 654465 BPVLYHQPFSGJQT-UHFFFAOYSA-N 354.229 2.351 50 50 FEGA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCl)cc2)n1 779954 KELBEZWMFXZILY-UHFFFAOYSA-N 354.819 2.072 50 50 FEGA C[C@H](Nc1cccc2ccccc12)c1nnc(SCC(=O)NN)n1C 34925126 LXTKVKAFYSQHKT-NSHDSACASA-N 356.455 2.223 50 50 FEGA COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc(OC)c1OC 2673305 XBHWLBRJORRXJU-HNNXBMFYSA-N 370.361 2.192 50 50 FEGA Cc1ccccc1OCC(=O)NNC(=S)Nc1ccc2c(c1)OCCO2 6401850 BNRSAPHXKJBMBE-UHFFFAOYSA-N 373.434 2.163 50 50 FEGA N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)NCCN1CCOCC1 19898813 XZSJZCNQKUQZEO-UKTHLTGXSA-N 354.237 2.349 50 50 FEGA COc1cc([N+](=O)[O-])ccc1NC(=S)NNC(=O)c1ccoc1C 5041979 CNNIUURWMUXQLY-UHFFFAOYSA-N 350.356 2.136 50 50 FEGA COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(OC)c1OC 1048518 IQIDURZEVKGMCT-VCHYOVAHSA-N 359.338 2.385 50 50 FEGA N#CC(C#N)=C1c2cc([N+](=O)[O-])ccc2[C@H]2C([N+](=O)[O-])=CC([N+](=O)[O-])=C[C@H]12 100165477 XANRPPRMVMGKHM-CZUORRHYSA-N 365.261 2.444 50 50 FEGA N#CCC(=N)NNC(=O)CCCNc1ncc(C(F)(F)F)cc1Cl 3116669 VZYNDOJJYIMFKF-UHFFFAOYSA-N 362.743 2.458 50 50 FEGA Cc1nnc(NS(=O)(=O)c2ccc(NC(=O)CCCl)cc2)s1 74941603 NOXGHJLUAJSEAR-UHFFFAOYSA-N 360.848 2.215 50 50 FEGA O=C(CCn1cnc2ccccc21)NNC(=O)Nc1cccc([N+](=O)[O-])c1 4809681 GFDZWKUSCWIXSZ-UHFFFAOYSA-N 368.353 2.188 50 50 FEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1coc2ccccc2c1=O 22780298 VAIPRONFZVNMBY-MRXNPFEDSA-N 352.346 2.438 50 50 FEGA C[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCCSS(=O)(=O)O 1951063 KGFMURPIPFDQJR-SNVBAGLBSA-N 358.441 2.361 50 50 FEGA biogenic COc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 1049661 KFTDCSROKCZGRW-UHFFFAOYSA-N 355.394 2.365 50 50 FEGA C/C(=N/NC(=O)c1ccccn1)c1cccc(NC(=O)c2ccnn2C)c1 5826706 BIKLQOUGDKXXNS-QRVIBDJDSA-N 362.393 2.221 50 50 FEGA C=CCN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@@H](C)C3)c2ccccc21 4653816 UHQIEFGVKGZAEF-XUSGNXJCSA-N 361.401 2.434 50 50 FEGA COC(=O)c1ccc(/C=N/NC(=O)CCn2cnc3ccccc32)cc1 2377940 FFXBFPHGCXIKCM-CIAFOILYSA-N 350.378 2.363 50 50 FEGA COc1cccc(-c2cc(C(=O)N/N=C3/C(=O)Nc4ccccc43)[nH]n2)c1 6016673 TWRDFWWOJCQYPI-UHFFFAOYSA-N 361.361 2.172 50 50 FEGA COc1ccccc1[C@H]1CC(=O)NC(SCC(=O)N2CCCC2)=C1C#N 9363561 MNWVVMSVOBKPIY-CQSZACIVSA-N 371.462 2.389 50 50 FEGA O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1c(F)cccc1Cl 5029863 FSEISVIDWGYIAT-CPNNGDQGSA-N 359.788 2.459 50 50 FEGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)CCc1c(C)n[nH]c1C 945650 ANNKNYUIHNXQGF-VXLYETTFSA-N 360.414 2.135 50 50 FEGA C/C(=N\NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(O)cc1O 18209506 RCCXAMIMIQEEMJ-UDWIEESQSA-N 353.378 2.379 50 50 FEGA Cc1cc(Br)c2c(c1)/C(=N/NC(=O)c1cccnc1)C(=O)N2C 5613609 XFENIYNWTYFKSG-UYRXBGFRSA-N 373.210 2.263 50 50 FEGA COC(=O)c1ccc(-c2n[nH]c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1112723 IXUYAPYSJNSSKC-HNNXBMFYSA-N 373.372 2.476 50 50 FEGA O=C(CCOCC(F)(F)C(F)F)NNC(=O)c1ccc2ccccc2n1 190201750 IVGNOUSNCXVUKA-UHFFFAOYSA-N 373.306 2.303 50 50 FEGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3OC)[C@H]2C1 5125973 LGKACOQOJXRNEC-HKUYNNGSSA-N 359.433 2.440 50 50 FEGA COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 1234456 LORMHUSTPOGPGN-VCHYOVAHSA-N 359.338 2.385 50 50 FEGA N#CC1=C(N)OC(C2CC2)=C(n2cnc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 1063382 OEDYYQHGIJJMQT-CYBMUJFWSA-N 350.338 2.273 50 50 FEGA CN(C)c1ccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 1877305 KIUYDUNGNKXBGX-SRZZPIQSSA-N 358.829 2.286 50 50 FEGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)COc1ccccc1[N+](=O)[O-] 101131340 WACYVJQIZANURS-DEDYPNTBSA-N 370.365 2.495 50 50 FEGA C=CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(C)cc1 4283438 GQJXAHJQELUXHE-LPYMAVHISA-N 351.406 2.440 50 50 FEGA COC(=O)C1=C(C(=O)OC)[C@H](C)[C@H](Br)[C@@H](Br)C1 216483783 DBVSWOHRPCYBOW-GCHGDONOSA-N 370.037 2.196 50 50 FEGA C[C@@H]1[C@@H](N2C[C@@H](C(=O)NNC(=O)C3CCCCC3)CC2=O)CCC[C@H]1C 241262074 LBDSDISCHJNTGW-OHFALNGGSA-N 363.502 2.387 50 50 FEGA C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)c1 2055525 IXKNJIAGQHKKEC-DEDYPNTBSA-N 353.378 2.349 50 50 FEGA COC(=O)c1ccccc1NC(=O)NNC(=O)c1ccc(C)c([N+](=O)[O-])c1 2852898 IGSZQNSZPVETAK-UHFFFAOYSA-N 372.337 2.156 50 50 FEGA CCN1CCN(C(=O)[C@@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)CC1 217941334 DHRDDRIHTXQAJH-OAUYIBNBSA-N 371.319 2.309 50 50 FEGA COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C)o2)sc(C(N)=O)c1C 17076414 DVHOAVRLCMSMHJ-UXBLZVDNSA-N 373.390 2.389 50 50 FEGA C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)CCl)CC3)cc2NC1=O 1319923384 HPLRKNNQUSYEAL-SNVBAGLBSA-N 350.802 2.066 50 50 FEGA COC(=O)[C@@](O)([C@H](Cl)C(=O)Nc1cccc(Cl)c1)C(F)(F)F 2115304 MNGNIQUFGZUKQH-KCJUWKMLSA-N 360.115 2.352 50 50 FEGA Cc1[nH]nc2c1[C@@H](c1cc(CN3CCOCC3)c(C)s1)C(C#N)=C(N)O2 19931981 RZMSILQIPSKJML-MRXNPFEDSA-N 371.466 2.138 50 50 FEGA CC1(C)OC(=O)C(=C2[C@@H]3[C@@H]4[C@@H]5C[C@@H]3[C@@H]3[C@H]5[C@@H](Br)[C@@H]4[C@H]23)C(=O)O1 245227893 XTUXTICCGOUWQU-DSXGSRNKSA-N 365.223 2.270 50 50 FEGA CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccc2c(c1)OCO2 1472186 IBBLUDFGBVMUCQ-AWEZNQCLSA-N 362.769 2.279 50 50 FEGA Cc1nnc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Cl)cc2)s1 74941403 DQFTWSKVVJDSSE-ZETCQYMHSA-N 360.848 2.213 50 50 FEGA CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1oc(CO)cc2=O 1421791 JHJDIXYLDXIYLE-INIZCTEOSA-N 354.362 2.137 50 50 FEGA COC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccccc2)sc(C)c1C 2785017 IWVOSMJNBOLUCD-GIJQJNRQSA-N 359.407 2.240 50 50 FEGA C=CCN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@H](C)C3)c2ccccc21 4653817 UHQIEFGVKGZAEF-QKVFXAPYSA-N 361.401 2.434 50 50 FEGA O=C(Cc1noc2ccccc12)NNC(=O)[C@H]1CCO[C@@H]1c1ccccc1 276787272 WCKJKDQVAPDZHS-HNAYVOBHSA-N 365.389 2.296 50 50 FEGA COC(=O)c1ccc(OCC(=O)NN=Cc2ccc(OC)c(OC)c2)cc1 252679728 QJKSNFTUOMZPJX-UHFFFAOYSA-N 372.377 2.020 50 50 FEGA C[C@H](Cl)C(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 1875370303 JRFKYJWQVXLLCA-RRKCRQDMSA-N 354.678 2.214 50 50 FEGA Cc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c1 19834199 WNLBFOQCEPFZJC-PXLXIMEGSA-N 350.466 2.263 50 50 FEGA COC(=O)c1c(NC(=S)NNC(=O)c2ccco2)sc2c1CCC2 6735076 HCCUPAHPJSJSSX-UHFFFAOYSA-N 365.436 2.248 50 50 FEGA COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccncc4)c32)cc1 759051 VPWUZQWHNBOTNM-OAHLLOKOSA-N 373.372 2.476 50 50 FEGA CCOC(=O)C1=C(CBr)N(C)C(=O)N[C@H]1c1ccc(O)cc1 1444584 RDPKYMJBLDUGOA-ZDUSSCGKSA-N 369.215 2.300 50 50 FEGA N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@]12C(=O)Nc1ccccc12 9360460 NRFCYYMHPYBHEX-GOSISDBHSA-N 361.386 2.463 50 50 FEGA C=CCn1c(SCC(=O)NN)nnc1[C@H](C)Nc1ccc(Cl)cc1 66324332 LFOVMJJQDCUFHA-JTQLQIEISA-N 366.878 2.373 50 50 FEGA O=C(N/N=C/c1c[nH]c2ccccc12)C(=O)N/N=C/c1c[nH]c2ccccc12 2819757 YIUOXRQTPHLNIL-ASIDMNOUSA-N 372.388 2.250 50 50 FEGA CCOc1cccc(C(=O)NNC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)c1 2784802 WORUUAZBHINRRY-HZPDHXFCSA-N 360.410 2.294 50 50 FEGA CCOc1cccc(C(=O)NNC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)O)c1 2784803 WORUUAZBHINRRY-HOTGVXAUSA-N 360.410 2.294 50 50 FEGA Cc1cccc(NCC(=O)N/N=C/c2c(C)[nH]n(-c3ccccc3)c2=O)c1 252552747 UYCRBBYJHPNYJS-WSDLNYQXSA-N 363.421 2.345 50 50 FEGA Cc1ccc(OCC(=O)N/N=C/c2ccc(C(=O)O)cc2)c([N+](=O)[O-])c1 1228161 AISVAIRRIHYEHC-GIJQJNRQSA-N 357.322 2.131 50 50 FEGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2cc(Cl)ccc2[N+](=O)[O-])c1 4210324 OSUDFFRDTJRJFB-AWQFTUOYSA-N 374.784 2.437 50 50 FEGA Cc1cc(Br)cc2c1NC(=O)/C2=N\NC(=O)c1cccnc1 5612612 HBWHZXXVTZZXGY-UHFFFAOYSA-N 359.183 2.239 50 50 FEGA COC(=O)[C@H]1C(=O)NC(SCC#N)=C(C#N)[C@H]1c1ccccc1Cl 2862363 ZNVJXTUBJWBTGU-CHWSQXEVSA-N 361.810 2.335 50 50 FEGA C(=N/NC1=NCCN1)\c1ccccc1P(c1ccccc1)c1ccccc1 220974181 OQSNBUQTBUCGHE-KOEQRZSOSA-N 372.412 2.328 50 50 FEGA CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NN)cc1 13899573 IMSIZYPXOFIUJE-WJDWOHSUSA-N 358.829 2.167 50 50 FEGA COC(=O)C1=C(C(=O)OC)[C@H](C)[C@H](Br)[C@H](Br)C1 104300832 DBVSWOHRPCYBOW-KWPFTWCOSA-N 370.037 2.196 50 50 FEGA Cc1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cc1 17073752 COXDCMAGWHFTFF-GFCCVEGCSA-N 357.366 2.344 50 50 FEGA CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@H](C)Cl)CC2)cc1 1875364653 PLMANVRCOBZZAV-UONOGXRCSA-N 352.862 2.314 50 50 FEGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 4366122 LROMZXLSVYKYOY-JDAJCMJVSA-N 358.310 2.421 50 50 FEGA O=C(Nc1ccc(Br)cc1Cl)c1ccc(F)c(B(O)O)c1 169744392 KKLAXOIRVWIYAZ-UHFFFAOYSA-N 372.386 2.174 50 50 FEGA COc1cccc(OCC(=O)N/N=C2\CCOc3c(OC)cccc32)c1 43761366 BWJMQHOZTNAGHW-CAPFRKAQSA-N 356.378 2.386 50 50 FEGA COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC 2938142 JYGZAJRELBVVTL-RQZCQDPDSA-N 374.309 2.284 50 50 FEGA CCN1CC=C2[C@H](C1)[C@@H](c1ccccc1OC)C(C#N)=C(N)C2(C#N)C#N 998336 JBRHDFRKSIJXIR-LPHOPBHVSA-N 359.433 2.440 50 50 FEGA CCOc1ccc(/C=N/NC(=O)c2nn(C)cc2Br)cc1O 1089299 VTHHMGTYARAPGT-FRKPEAEDSA-N 367.203 2.051 50 50 FEGA O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N/N=C/Cc1ccccc1 4828616 ZSVXOTDLPRPBQX-VXLYETTFSA-N 355.354 2.061 50 50 FEGA COc1ccc(C(=O)NCC(=O)N/N=C/C=C/c2ccccc2)cc1OC 1946417 RIMTUNZGJJUFDC-OGMQXUJQSA-N 367.405 2.249 50 50 FEGA biogenic N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(CN2CCOCC2)cs1 19873900 ZONCKJUIAUYDIN-KRWDZBQOSA-N 371.462 2.395 50 50 FEGA Cc1cccc(NCc2nnc(SCC(=O)NN)n2-c2ccccc2)c1 34925134 NYRUUTHUIRRVHR-UHFFFAOYSA-N 368.466 2.270 50 50 FEGA COC(=O)c1cccc(I)c1NC(=O)CCl 1875301720 QPSGYXUBKNAPAK-UHFFFAOYSA-N 353.543 2.255 50 50 FEGA CC(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1 2854507 GMSKWOJZKUKVBD-UHFFFAOYSA-N 351.359 2.043 50 50 FEGA NC(=O)N/N=C1/C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 100501411 FTLMWTLWUNAMLY-XMHGGMMESA-N 373.210 2.368 50 50 FEGA Cc1c(/C=C(/C#N)C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)cc(C#N)n1C 254506488 ODOITPAPPDXQBM-UAOOZRNNSA-N 368.437 2.350 50 50 FEGA CCCN(NC(=O)Nc1ccc2c(c1)C(=O)NC2=O)C(=O)OC(C)(C)C 253427230 DPMZIFMPBFYTLG-UHFFFAOYSA-N 362.386 2.254 50 50 FEGA Cc1ccc(C2=[N+]([O-])[C@]3(CCCCC/C3=N\NC(N)=O)N(O)C2(C)C)o1 18084087 AEIANNLSQOOWPP-HNMKQIAWSA-N 363.418 2.056 50 50 FEGA Cc1nn(C)cc1NC(=S)NNC(=O)c1cc(Br)cs1 2793329 KGMXHQZQSROUMR-UHFFFAOYSA-N 374.289 2.184 50 50 FEGA O=C(Cc1ccncc1)NNC(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 187130353 KWPQOHKJSPDRQA-ZWKOTPCHSA-N 352.438 2.366 50 50 FEGA O=C(O)CCC(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21 2924297 LIMFZAYQAADULO-UHFFFAOYSA-N 354.362 2.421 50 50 FEGA C=CCN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@@H](C)C3)c2ccccc21 4653818 UHQIEFGVKGZAEF-GTJPDFRWSA-N 361.401 2.434 50 50 FEGA CCOc1ccc([C@H](C)NC(=O)NCCNC(=O)[C@@H](C)Cl)cc1OC 253426637 KUIZYNNGEPGMFO-NEPJUHHUSA-N 371.865 2.198 50 50 FEGA O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1c(F)cccc1Cl 1209794 DTJRVKAQHZWUBB-DJKKODMXSA-N 358.764 2.283 50 50 FEGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(N(C)C)cc3)[C@@H]2C1 19800661 ZETKZYTXCFAOPY-RTBURBONSA-N 358.449 2.108 50 50 FEGA O=C(O)COc1ccc(/C=N/NC(=O)COc2cccc(Cl)c2)cc1 4261270 MHURDUGUUORFEF-DJKKODMXSA-N 362.769 2.333 50 50 FEGA O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1cc(C2CC2)n[nH]1 6554056 CMHBQQIJPVBIDT-UHFFFAOYSA-N 374.198 2.136 50 50 FEGA COc1ccc(CCC(=O)NNc2nc(-c3ccncc3)no2)cc1F 360587957 JCFYPSPOTGAFGO-UHFFFAOYSA-N 357.345 2.355 50 50 FEGA O=C(NNC(=O)[C@H]1COc2ccccc21)[C@H]1CCO[C@@H]1c1ccccc1 366774630 SPUIYYUHRKJEJL-XYJFISCASA-N 352.390 2.088 50 50 FEGA CC(C)(C)C(=O)NNS(=O)(=O)c1cccnc1Oc1ccc(F)cc1 864097203 LZFATGZCKLUCGO-UHFFFAOYSA-N 367.402 2.369 50 50 FEGA Nc1ccccc1C(=O)NNC(=O)/C(O)=C/C(=O)c1ccc(Cl)cc1 100330924 ZVHVEDWRBMSOFD-DHDCSXOGSA-N 359.769 2.008 50 50 FEGA O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100289872 NHQSFBXIRJQTRB-NVNXTCNLSA-N 359.254 2.175 50 50 FEGA COc1cc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)cc(OC)c1OC 4312519 PTDHAZJLWKFBBE-VXLYETTFSA-N 360.414 2.497 50 50 FEGA O=C1[C@H](Br)[C@H](Br)C(=O)N1c1ccccc1F 100971089 GNHMLAAFLHCQTF-OCAPTIKFSA-N 350.969 2.226 50 50 FEGA Cc1cc(C(=O)N/N=C/c2ccc(Br)c([N+](=O)[O-])c2)[nH]n1 1188277 KMHQASQMYWCYHE-MKMNVTDBSA-N 352.148 2.153 50 50 FEGA O=C(Nc1ccc(Br)cc1)c1ccc(B(O)O)c(Cl)c1 169744129 CQJUWSWTNZNUMV-UHFFFAOYSA-N 354.396 2.035 50 50 FEGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)cc3F)[C@H]2C1 5400179 DOUUEAURWIGEGL-DOTOQJQBSA-N 351.360 2.320 50 50 FEGA C=CC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc3ccccc23)C1 2325889445 QXUFLNKHGOAYOL-HNNXBMFYSA-N 351.406 2.025 50 50 FEGA COC(=O)[C@H]1C(=O)NC(SCC#N)=C(C#N)[C@@H]1c1ccccc1Cl 2862361 ZNVJXTUBJWBTGU-QWHCGFSZSA-N 361.810 2.335 50 50 FEGA COC(=O)c1cc(C)sc1NC(=S)NNC(=O)c1ccoc1C 6825611 HSZZEPUOVOXFPW-UHFFFAOYSA-N 353.425 2.376 50 50 FEGA N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@H]1c1cncc(-c2ccc(F)cc2)c1 18114069 ANGPANNCNHUAKB-HNNXBMFYSA-N 361.336 2.189 50 50 FEGA Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN3CCOCC3)c2C)cc1C 19787577 AQRNLTNWCOTBQJ-LPYMAVHISA-N 368.481 2.493 50 50 FEGA C/C(=N\NC(=O)CN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 19879702 MHFRFFHRFOWZRC-HAVVHWLPSA-N 368.456 2.484 50 50 FEGA Cc1cc(C)n2nc(C(=O)N/N=C\c3c(O)ccc4ccccc34)nc2n1 55525156 UNSPHXVIMGXNKT-JMIUGGIZSA-N 360.377 2.364 50 50 FEGA CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H](C)Cl)s1 1875363459 BPBQZNPIJNGHOJ-SNVBAGLBSA-N 352.909 2.065 50 50 FEGA COc1ccc(/C=N\NC(=O)CCc2c(C)n[nH]c2C)c(OC)c1OC 12372239 TXAGGAFOOUERNB-GRSHGNNSSA-N 360.414 2.135 50 50 FEGA C=CC(=O)N1CCC[C@H](C(=O)NNC(=S)Nc2ccc(C)cc2C)C1 2325787034 XSAGTDOFTWCDCH-AWEZNQCLSA-N 360.483 2.046 50 50 FEGA CC(C)Oc1ccc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1 1440813 FWFFYSOSURJONE-MRXNPFEDSA-N 354.362 2.137 50 50 FEGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1cccs1 2894891 VZMPGCOPEUQAEN-CAOOACKPSA-N 366.240 2.391 50 50 FEGA Cc1c(/C=N/NC(=O)CNC(=O)/C=C/c2ccco2)c2ccccc2n1C 22023329 JQROFFCIBNMDIQ-HZJOSGLMSA-N 364.405 2.359 50 50 FEGA O=C(N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21)c1ccncc1 19790987 KWGIBCNBQITFGY-PYCFMQQDSA-N 363.421 2.006 50 50 FEGA CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1 135936275 GAYMGQARULLISQ-WMHQRMGPSA-N 358.438 2.492 50 50 FEGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)o1 5795542 GSXOGTNNPYKFLZ-RQZCQDPDSA-N 355.379 2.195 50 50 FEGA O=C(Nc1ccc(Br)cc1Cl)c1ccc(B(O)O)c(F)c1 169744591 UTISKHYWLSOLDL-UHFFFAOYSA-N 372.386 2.174 50 50 FEGA O=C(O)CCSSCCNC(=O)c1ccccc1N1CCOCC1 1875388671 LLEVIKVAYXBVJS-UHFFFAOYSA-N 370.496 2.109 50 50 FEGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 4372576 MTYUGNQBBPWQPI-MUOOZZNISA-N 358.310 2.421 50 50 FEGA Cc1c(C(=O)NNC(=S)Nc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] 6572050 RAWQRYVPUFFUFH-UHFFFAOYSA-N 374.378 2.263 50 50 FEGA COc1cc(/C=N/NC(=O)c2cn(-c3cccc(C)n3)cn2)ccc1O 1402749 JMASKBYZKHSYNU-AWQFTUOYSA-N 351.366 2.054 50 50 FEGA COc1ccc(O)c(/C=N/NC(=O)c2cccc(N3CCCC3=O)c2)c1 822265 ZCLJKTQQCCGDAE-UDWIEESQSA-N 353.378 2.292 50 50 FEGA O=C(O)CCSSCCNC(=O)c1ccc(OC(F)F)nc1 1875388444 BGKBTQDWOUZHNT-UHFFFAOYSA-N 352.384 2.269 50 50 FEGA O=C(NNC(=S)NCc1ccco1)c1ccc(Br)cc1 5716179 GCTGZRBXOLCTIE-UHFFFAOYSA-N 354.229 2.351 50 50 FEGA COc1cc(C(=O)NNC(=O)c2cccc(Cl)c2)cc(OC)c1OC 1230031 XIUOIIGZDMMRNH-UHFFFAOYSA-N 364.785 2.441 50 50 FEGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 100151558 RUUAZZPYAWIVFZ-IUOVYFEOSA-N 364.405 2.228 50 50 FEGA COC(=O)[C@](O)([C@H](Cl)C(=O)Nc1cccc(Cl)c1)C(F)(F)F 2115305 MNGNIQUFGZUKQH-LDYMZIIASA-N 360.115 2.352 50 50 FEGA O=C(COc1cccc(Cl)c1)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 5005862 KUKMLIGREQKXDJ-UHFFFAOYSA-N 374.740 2.100 50 50 FEGA CCOc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1O 4360343 HNCPBVPNRNYUDC-VCHYOVAHSA-N 359.338 2.228 50 50 FEGA O=C(N/N=C/c1ccc(O)c(I)c1)c1ccccn1 1052901 UQSTWDOFWSELRN-LZYBPNLTSA-N 367.146 2.156 50 50 FEGA O=S(=O)(N[C@@H](CCl)CI)c1ccccc1 3051327 SLXZUKLFNSFLNR-QMMMGPOBSA-N 359.616 2.007 50 50 FEGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)C(=O)Nc1ccc(Cl)cc1 2520082 VOICOALWNIWQIR-KEBDBYFISA-N 368.780 2.270 50 50 FEGA CCOc1ccc(NC(=S)NNC(=O)c2nn(C)c(C)c2Cl)cc1 650695 YPVKLPCDXHBAAG-UHFFFAOYSA-N 367.862 2.412 50 50 FEGA COc1cc(/C=N\NC(=O)CNc2ccccc2C)ccc1OC(C)=O 32603888 HYDVOPMFYHNGFQ-NHDPSOOVSA-N 355.394 2.491 50 50 FEGA Cc1cc(C)n(CC(=O)N/N=C/c2ccc(O)c(Br)c2)n1 1066688 MJOGHADXXRMQKC-FRKPEAEDSA-N 351.204 2.118 50 50 FEGA C[C@@H](Cl)C(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1875375944 KDKXGWLGLIJVFV-DGCLKSJQSA-N 371.869 2.094 50 50 FEGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)Nc1ccccc12 714336 LVMGNROSSQSESR-HXUWFJFHSA-N 357.325 2.117 50 50 FEGA CC1(C)OC(=O)C(=C2[C@@H]3[C@H]4[C@@H](Br)[C@H]5[C@@H]6C[C@H]([C@@H]25)[C@@H]3[C@@H]46)C(=O)O1 245227645 RJGIOBOOMIYNRD-NQLABMFYSA-N 365.223 2.270 50 50 FEGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 4260002 FTBKHBVWBPXGPW-WOJGMQOQSA-N 356.338 2.082 50 50 FEGA COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)ccc1O 4282704 DBQXRMPNRFCYNF-DJKKODMXSA-N 361.785 2.451 50 50 FEGA Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2C[C@H]2c2cccnc2)c1C 242302268 YQYGFLQMGAYMHM-HYVNUMGLSA-N 353.422 2.417 50 50 FEGA CC(C)(O)O[C@H]1C[C@H]2CS(=O)(=O)C[C@@]2(c2ccccc2)C[C@@H]1Cl 71785943 OQISDUCVCAAQID-QBYUYEEZSA-N 358.887 2.484 50 50 FEGA CC(=O)Nc1ccc(C(=O)NNc2nc(O)c3ccccc3n2)cc1F 765873289 YHUFSCVZKWITBX-UHFFFAOYSA-N 355.329 2.190 50 50 FEGA Cc1ccc(C(=O)N/N=C2/C(=O)N(C)c3ccc(Br)cc32)cn1 18142168 ZPDNJLOKJXUKDV-XMHGGMMESA-N 373.210 2.263 50 50 FEGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1 4229966 JGBQZQIVDWFWQG-UDWIEESQSA-N 354.362 2.479 50 50 FEGA COc1ccc(/C=N/NC(=O)Cn2nc(C)cc2C)cc1Br 1066683 VGOFTDIPYPAZHO-CAOOACKPSA-N 365.231 2.421 50 50 FEGA COc1ccc(/C(C)=N/NC(=O)CC2(C)OCCO2)cc1Br 12343113 MCKJLEOHMKALEG-LICLKQGHSA-N 371.231 2.451 50 50 FEGA O=C(NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)c1ccc(OC2CCCC2)cc1 4651701 GNHYETNZFYTAIK-SJORKVTESA-N 372.421 2.436 50 50 FEGA COc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)c1sccc1C 5060649 QGDZZGOZNCBHSV-UHFFFAOYSA-N 350.356 2.440 50 50 FEGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c([N+](=O)[O-])cc1OC 1232478 CDJJTSXMYMLMBJ-INIZCTEOSA-N 371.349 2.427 50 50 FEGA Cc1ccc(C(=O)NNC(=S)NC(=O)C(C)(C)C)cc1Br 2884335 YRXAZLKDDYAHKS-UHFFFAOYSA-N 372.288 2.439 50 50 FEGA COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NN)c3N2)cc1 1069014 FLAPLZQYCYWYHT-VXGBXAGGSA-N 355.320 2.156 50 50 FEGA O=C(NNC(=O)[C@H]1CCO[C@@H]1c1ccccc1)[C@@H]1COc2ccccc21 366774629 SPUIYYUHRKJEJL-LZLYRXPVSA-N 352.390 2.088 50 50 FEGA CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(B(O)O)c2)CC1 230544964 KWKDTVVEDMJZOZ-UHFFFAOYSA-N 353.319 2.496 50 50 FEGA C/C(Cn1nnc2ccccc21)=N\NC(=O)COc1ccc(F)cc1F 5494575 LQJGNRVRMRFRNE-RGVLZGJSSA-N 359.336 2.281 50 50 FEGA COc1ccc(NC(=O)NNC(=O)CCn2cnc3ccccc32)cc1 4820399 BELYWIKUOINADT-UHFFFAOYSA-N 353.382 2.288 50 50 FEGA CCOc1ccccc1[C@H]1[C@@H]2CN(C)CC=C2C(C#N)=C(N)C1(C#N)C#N 19800664 JWNBGUHOYQEIRG-MJGOQNOKSA-N 359.433 2.440 50 50 FEGA Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN2CCOCC2)c1C 19787562 FNLJYVABTJZAMC-LPYMAVHISA-N 368.481 2.493 50 50 FEGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1OC 2566420 JJPQBNCTSBITAQ-VXLYETTFSA-N 361.785 2.446 50 50 FEGA C[C@@H]1[C@@H](N2C[C@H](C(=O)NNC(=O)C3CCCCC3)CC2=O)CCC[C@H]1C 241262075 LBDSDISCHJNTGW-WTTBNOFXSA-N 363.502 2.387 50 50 FEGA C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)cc2C1 241383477 MVPXBNGAEOTHBS-DQJMSKHYSA-N 374.462 2.157 50 50 FEGA C[C@]1(C(=O)N/N=C/c2cccnc2)CC1(Br)Br 2110830 ZUKMBGONWNFDNH-UWJMNNEMSA-N 361.037 2.428 50 50 FEGA CCOc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 36047251 FCVUSOZJUZROGI-VXLYETTFSA-N 358.354 2.261 50 50 FEGA COc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1Cn1cc([N+](=O)[O-])cn1 17075402 DHKZUBBVLVLENW-AWNIVKPZSA-N 367.365 2.034 50 50 FEGA O=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 4210811 DQRXHNPXSFGWOE-VXLYETTFSA-N 369.381 2.433 50 50 FEGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 1884007 SMSUASJUVBGGKC-DJKKODMXSA-N 360.757 2.128 50 50 FEGA CCc1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1 3578481 ROLXUOIYGFFXQL-RGVLZGJSSA-N 356.378 2.242 50 50 FEGA CCc1n[nH]c2c1[C@H](c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2 32513706 GMQMBSKXNJVOMQ-CYBMUJFWSA-N 356.382 2.216 50 50 FEGA C[C@@H](Cl)C(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1875376195 OQBSINAOGXCCAM-MRXNPFEDSA-N 365.905 2.101 50 50 FEGA C[C@H]1CN(S(=O)(=O)c2ccc(CCCCl)cc2)CC[S@@](=O)C1 253394364 GKBYKMGNBVXSAD-YEJXKQKISA-N 363.932 2.247 50 50 FEGA C=CC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc3ccccc23)C1 2325889446 QXUFLNKHGOAYOL-OAHLLOKOSA-N 351.406 2.025 50 50 FEGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)cc1OC 3903131 ZMJZOZDIOYMOHB-RGVLZGJSSA-N 351.366 2.253 50 50 FEGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1 4832831 NZMVAWWLAMYNHQ-CHWSQXEVSA-N 350.334 2.171 50 50 FEGA O=C(CNC(=O)c1ccc2c(c1)OCCO2)N/N=C/C=C/c1ccccc1 4989772 ONLYRTQUTHWUKC-CXHGCJEXSA-N 365.389 2.003 50 50 FEGA Cc1c(-c2ccc(/C=N/NC(=O)c3nonc3N)o2)ccc([N+](=O)[O-])c1C 2188192 ACPREAGOWNJYQL-CNHKJKLMSA-N 370.325 2.201 50 50 FEGA CC1=C(C)C[C@H](C(=O)NNC(=O)[C@H](C)Oc2ccc(C)cc2)[C@@H](C(=O)O)C1 6845638 RBYRTEQNZYTXLD-XIRDDKMYSA-N 374.437 2.357 50 50 FEGA O=C(N/N=C/c1cccs1)C(=O)Nc1nnc(-c2ccccc2)s1 4210791 KSWDQIHGTWKLTD-CXUHLZMHSA-N 357.420 2.355 50 50 FEGA COc1cc([C@@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)c([N+](=O)[O-])cc1OC 754549 JEOPSZHOGDAAPC-MRXNPFEDSA-N 359.338 2.283 50 50 FEGA O=C1Nc2ccccc2/C1=N/NC(=O)c1cc(Br)ccc1O 5528400 XGJVBXRIUFEWGO-UHFFFAOYSA-N 360.167 2.241 50 50 FEGA Cc1ccc(C(=O)NNC(=S)Nc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 2855742 NIUVKXPSINIVPC-UHFFFAOYSA-N 374.378 2.263 50 50 FEGA O=C(NNc1ncccn1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 124014802 ONESXPHTKCXOTN-UHFFFAOYSA-N 357.377 2.481 50 50 FEGA O=C(CCc1ccccc1)NNC(=S)Nc1ccc2c(c1)OCCO2 6402836 LDQINFDYUYUWAI-UHFFFAOYSA-N 357.435 2.408 50 50 FEGA CC(C)(C)[C@H]1CCc2c(C(=O)NNC(=O)/C=C/C(=O)O)csc2C1 2114416 XDVMNNPUIJIAAN-FGEFZZPRSA-N 350.440 2.301 50 50 FEGA CCc1c(C(=O)NNC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc(O)c1C 43206985 SSNAPUUWBPZGOY-MRXNPFEDSA-N 364.348 2.036 50 50 FEGA in-vitro CC(=O)Nc1ccc(/C(C)=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1 17075847 BZENULBEDSNQQN-UDWIEESQSA-N 370.365 2.472 50 50 FEGA COc1ccc(CCC(=O)NNC(=S)NCc2ccc(F)cc2)cc1 13496773 DIJVFKSDSIIVET-UHFFFAOYSA-N 361.442 2.462 50 50 FEGA CCCCCCCC(=O)N/N=C1\C(=O)N(CC(=O)OC)c2ccccc21 2542371 KJVFRWBRHHHCME-UZYVYHOESA-N 359.426 2.387 50 50 FEGA O=C(NNC(=S)NCCc1ccccc1)c1ccc(Br)o1 2851028 HFCXFDWRHCNOHG-UHFFFAOYSA-N 368.256 2.394 50 50 FEGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)c(Cl)c2)cc1 2901382 ICIBFGHXVCWGSZ-VXLYETTFSA-N 361.785 2.446 50 50 FEGA CCn1c(SCC(=O)NN)nnc1[C@H]1C[C@H]1c1ccc(Cl)cc1 2732066 AAVCCTUSLWZLMF-RYUDHWBXSA-N 351.863 2.305 50 50 FEGA C[C@H]1CN(S(=O)(=O)c2ccc(CCCCl)cc2)CC[S@](=O)C1 253394368 GKBYKMGNBVXSAD-ZSEKCTLFSA-N 363.932 2.247 50 50 FEGA Cc1nc(P(=O)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1 8015361 KWZMLUULPPCROQ-UHFFFAOYSA-N 368.373 2.459 50 50 FEGA CCCN1CNc2c(c(=O)nc3n2C[C@@](C)(CBr)S3)C1 4727469 FLKQGLNDYLOWEJ-CYBMUJFWSA-N 359.293 2.098 50 50 FEGA COc1ccc(Br)cc1/C=N/NC(=O)C[C@@H]1C(C)=NN=C1O 16994914 KDJQWVKZCUQZIR-PFJSLNBISA-N 367.203 2.260 50 50 FEGA O=C(CNC(=O)c1ccccc1Br)N/N=C/c1cccs1 1877386 YNDULPBKAYVCRL-CAOOACKPSA-N 366.240 2.391 50 50 FEGA N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)NCc1ccc2c(c1)OCO2 6829248 DDNSBJWQZZEBHR-LHHJGKSTSA-N 350.330 2.367 50 50 FEGA COc1ccc(/C=N/NC(=O)Cn2cnc3ccccc32)c(OC)c1OC 844776 UOCLZJZHXMQMQJ-UFFVCSGVSA-N 368.393 2.212 50 50 FEGA CCOc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1O 2566863 IPMUZUIAFNMIPQ-VCHYOVAHSA-N 359.338 2.228 50 50 FEGA CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 4294252 NIEHOVBDLOORJM-HNNXBMFYSA-N 368.817 2.252 50 50 FEGA COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc(OC)c1OC 3085690 YPZDJSBPLLBWIM-RGVLZGJSSA-N 371.393 2.110 50 50 FEGA COc1ccc(O)c(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)c1 822283 GJXKCNUCLWWCRU-UDWIEESQSA-N 353.378 2.292 50 50 FEGA CN(C)c1ccc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)cc1 4209718 FLDAAFYBYUGAHU-SRZZPIQSSA-N 358.829 2.286 50 50 FEGA CCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O 100551229 DIMSHHWRCPMNPU-UHFFFAOYSA-N 359.426 2.458 50 50 FEGA CC1=NN(c2ccccc2)C(=O)/C1=C/NNC(=O)c1ccccc1[N+](=O)[O-] 100149332 WVUQTYKXSHKEKB-RVDMUPIBSA-N 365.349 2.136 50 50 FEGA Cc1cc(C)c(S(C)(=O)=O)c(N(C)NC(=O)c2c(F)cccc2F)n1 1387827 ACWHJLLNWWRENW-UHFFFAOYSA-N 369.393 2.161 50 50 FEGA CCOC(=O)/C(C#N)=C/N1CCN(c2ccc(C(F)(F)F)cn2)CC1 33687168 UKSXWBSZVCAECU-VAWYXSNFSA-N 354.332 2.193 50 50 FEGA N#CCC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 1170645 YJCKBSBWZYOLAS-SRZZPIQSSA-N 354.341 2.207 50 50 FEGA Nc1ccccc1C(=O)N/N=C\c1ccc(I)o1 5016956 IZJCWCVZWDOYPM-CHHVJCJISA-N 355.135 2.230 50 50 FEGA O=C(Cc1ccncc1)NNC(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 187130372 KWPQOHKJSPDRQA-QZTJIDSGSA-N 352.438 2.366 50 50 FEGA Cc1cc(Br)ccc1C(=O)NNc1ccc(-n2ccnc2)nn1 225701171 ZMQJYDHOGWALSC-UHFFFAOYSA-N 373.214 2.490 50 50 FEGA