smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1nc(C(F)(F)F)ccc1CBr 44676224 UBILXBRMQFSGML-UHFFFAOYSA-N 254.049 3.304 50 50 CGGA CCOc1ccc(/C=C(\C#N)C(=O)N2CCCC[C@H]2C)cc1 193378343 SXBUOQWVHWKYPH-RGHBXIHOSA-N 298.386 3.393 50 50 CGGA CC(=O)N(c1ccccc1)N(C(C)=O)c1ccccc1 5159984 BGBUACXMZAYUSD-UHFFFAOYSA-N 268.316 3.008 50 50 CGGA Cc1ccc(C(=O)NN=Cc2ccc3c(c2)CCC3)cc1 4582366 SKRPHBYXZBWZDS-UHFFFAOYSA-N 278.355 3.248 50 50 CGGA CCOC(=O)/C(O)=C(\C#N)c1ccc(C(C)(C)C)cc1 102312835 BWKGZHYPIUYSJQ-YPKPFQOOSA-N 273.332 3.340 50 50 CGGA Cc1cccc(NC(=O)[C@@H](C)Br)c1C 32919869 XEEHDXNRTRJBRE-SECBINFHSA-N 256.143 3.025 50 50 CGGA in-vitro CCOC(=O)/C(C#N)=C(/F)C(C(F)(F)F)C(F)(F)F 2913700 NPFGOHUZNHTIGK-SNAWJCMRSA-N 293.138 3.037 50 50 CGGA C/C(CCc1ccccc1)=N/NC(=O)c1ccc(O)cc1 4964036 GQNYCTXJNIQUDX-AQTBWJFISA-N 282.343 3.131 50 50 CGGA N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1C1CCCCC1 115372 OJXRMPFEXKGUOL-HNNXBMFYSA-N 269.348 3.019 50 50 CGGA COc1cccc(/C(C#N)=C/c2ccc3c(c2)OCO3)c1 401136 UUPHUHQNVKAGJT-VGOFMYFVSA-N 279.295 3.488 50 50 CGGA CC(=O)N/N=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 459494 WUFWNUMVCLSSOW-FRKPEAEDSA-N 280.686 3.209 50 50 CGGA CC[C@@H](Br)C(=O)Nc1ccccc1Cl 9095755 FFXIBZWKPQIZNC-SSDOTTSWSA-N 276.561 3.452 50 50 CGGA O=[N+]([O-])c1cccc(-c2noc(C(Cl)Cl)n2)c1 100014351 JYOMJJFPJLSWKA-UHFFFAOYSA-N 274.063 3.121 50 50 CGGA O=C(CCl)Nc1cccc2oc(C(F)(F)F)nc12 1875375336 ZVBSXIVOMILVHL-UHFFFAOYSA-N 278.617 3.024 50 50 CGGA Cc1cccc(C)c1NC(=O)[C@H](C)Br 152358 SIWFSHGMQMQXJE-VIFPVBQESA-N 256.143 3.025 50 50 CGGA N#Cc1cc(CBr)ccc1Br 218084995 LOLZZYHVCHHARH-UHFFFAOYSA-N 274.943 3.216 50 50 CGGA C[C@@H](Cl)C(=O)N(C)[C@@H](Cc1ccccn1)C(C)(C)C 1875364879 XCGFAVFSLASKGS-YPMHNXCESA-N 282.815 3.125 50 50 CGGA CCCc1ccc(OCC(=O)N/N=C/c2ccccc2)cc1 3167108 RTRBJLUEPHQVOM-CPNJWEJPSA-N 296.370 3.168 50 50 CGGA CCCCCC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1 4992223 ZPXVFSAVQAHBAW-RVDMUPIBSA-N 277.324 3.015 50 50 CGGA Cc1ccc(NC(=O)[C@@H](C)Br)cc1C 41699201 MQDLHUBHRZTVRY-SECBINFHSA-N 256.143 3.025 50 50 CGGA O=P(c1ccccc1)(c1ccccc1)[C@H](O)c1ccco1 161737 QSQNTHAUQYOCHE-KRWDZBQOSA-N 298.278 3.285 50 50 CGGA O=C(NN=C1CCCCCCC1)c1ccccc1O 290279 AAHBSBXPWBLDSX-UHFFFAOYSA-N 260.337 3.222 50 50 CGGA CC1(C)CN(C(=O)CCl)c2ccccc2S1 13525504 JXHDFQCVOIPATH-UHFFFAOYSA-N 255.770 3.143 50 50 CGGA CC(C)COC(=O)/C(C#N)=C/C=C/c1ccccc1 19908359 NLCOIBZBIJHMEO-UJHPFZFGSA-N 255.317 3.349 50 50 CGGA CC[C@@H](C)[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 6589211 MHGNTTOFBOVPFG-MFKMUULPSA-N 294.358 3.293 50 50 CGGA COCc1ccccc1CN(CC(C)C)C(=O)CCl 1875376166 NTPLDEIKJXHHGY-UHFFFAOYSA-N 283.799 3.056 50 50 CGGA CC[C@@H](Br)C(=O)Nc1ccc(C(C)=O)cc1 45796290 DVWQBZFNCKLWQU-LLVKDONJSA-N 284.153 3.001 50 50 CGGA C[C@](F)(Br)[C@@H](Cl)Br 100034769 WBKNWEJIMRYZJQ-PWNYCUMCSA-N 254.324 3.027 50 50 CGGA CC(C)(C)n1nc(C2CC2)cc1C(=O)CBr 44126804 BIQPVCSQVVEINY-UHFFFAOYSA-N 285.185 3.093 50 50 CGGA FC(F)(F)Oc1cccc(CBr)c1 164862 QSIVWRRHVXSDNE-UHFFFAOYSA-N 255.033 3.480 50 50 CGGA C/C(=N\NC(=O)c1ccco1)c1cc2ccccc2o1 4651611 PFKSQIWPHIHUIQ-MHWRWJLKSA-N 268.272 3.180 50 50 CGGA CCOC(=O)[C@H](Br)[C@H]1CCC[C@@H](C)C1 215984425 DUTJSCZKHCIGAK-KXUCPTDWSA-N 263.175 3.139 50 50 CGGA C/C(=N\NC(=O)c1ccncc1)c1cccc2ccccc12 5173206 QQPKXNBGPOYZOY-DEDYPNTBSA-N 289.338 3.389 50 50 CGGA CCOC(=O)/C(O)=C(\C#N)c1ccc(C(C)C)cc1 101133679 RKIMZAPYSWQOLT-YPKPFQOOSA-N 259.305 3.166 50 50 CGGA Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Br 36903514 JWQKHKFFXCCSMT-ZETCQYMHSA-N 266.138 3.442 50 50 CGGA COc1ccc(/C(C#N)=C/c2ccccn2)cc1OC 4535152 ZHOGRIWLCOVORA-UKTHLTGXSA-N 266.300 3.163 50 50 CGGA O=C(CCl)Nc1cccc(Cc2ccccc2)c1 4542345 TYNFRIUJBLVRFF-UHFFFAOYSA-N 259.736 3.455 50 50 CGGA CCNC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl 289213 OXDBVCSJHCPBJM-WEVVVXLNSA-N 269.131 3.036 50 50 CGGA Clc1ccc(OCCOCCBr)cc1 2896199 QBHNTBATNVHIPG-UHFFFAOYSA-N 279.561 3.130 50 50 CGGA CN(C(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 4294184 LXZKDOSRDVBNCF-UHFFFAOYSA-N 272.260 3.230 50 50 CGGA CC1(C)CCC[C@H]1C(=O)NNc1ccc(F)cc1 274559280 AJDCFCCIPGETMZ-LBPRGKRZSA-N 250.317 3.095 50 50 CGGA CCOc1ccc(/C=N/NC(=O)c2ccccc2C)cc1 297711 NZRSLFIXYWHEHY-LDADJPATSA-N 282.343 3.158 50 50 CGGA CC[C@H]1C(C#N)=C(SC)NC2=C1C(=O)CC(C)(C)C2 19337943 QRQFMIZSRXZWBW-VIFPVBQESA-N 276.405 3.357 50 50 CGGA O=C(OCc1ccccc1)C1CC(CBr)C1 261507137 FWCABFRPKRKQID-UHFFFAOYSA-N 283.165 3.151 50 50 CGGA CC1=C(C#N)[C@H](c2ccccc2F)C2=C(CCCC2=O)N1 19761718 GWVHQWKKVVQTJL-INIZCTEOSA-N 282.318 3.317 50 50 CGGA CC(C)c1ccc(CNC(=O)[C@H](C)Br)cc1 41737375 GMCYUJSMLIZOHD-JTQLQIEISA-N 284.197 3.210 50 50 CGGA OCc1ccc2ccc(CBr)cc2c1 43214940 KYNPAHLECJLVRM-UHFFFAOYSA-N 251.123 3.227 50 50 CGGA C=C[C@@]12CC[C@@H]([C@@H](O[Si](C)(C)C)C1=O)C2(C)C 169836552 WTWIXWBEIDDRPR-MISXGVKJSA-N 252.430 3.398 50 50 CGGA CCS[C@H]1CCCCN(C(=O)C2CC(Cl)C2)C1 585132542 ZEYQWURLUVQYGH-MCIGGMRASA-N 275.845 3.138 50 50 CGGA COC(=O)c1ccc(CBr)cc1Cl 117245849 LGEMXFQDNNYNGQ-UHFFFAOYSA-N 263.518 3.022 50 50 CGGA in-vitro O=C(CBr)c1ccc(F)c(Br)c1 16159277 NVCNENXQUDVWRV-UHFFFAOYSA-N 295.933 3.166 50 50 CGGA in-vitro Cc1cccc(OCC(=O)N/N=C/C=C/c2ccccc2)c1 13631750 YEKUWQKFZDTIME-ATFGCDJJSA-N 294.354 3.189 50 50 CGGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccco1 573939 SISNXEYHQJTARM-VIZOYTHASA-N 283.114 3.350 50 50 CGGA O=C(Cl)OCc1c(F)c(F)c(F)c(F)c1F 2569640 CAKTVARYLWEKSA-UHFFFAOYSA-N 260.545 3.258 50 50 CGGA C[C@@H](Cl)C(=O)NCc1cc2sccc2s1 1875364454 QWNMWKTXUNGQFX-ZCFIWIBFSA-N 259.783 3.206 50 50 CGGA COc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1 3893077 QGWDXQOKZKWZQI-SDNWHVSQSA-N 294.358 3.077 50 50 CGGA O=C(CCc1ccccc1)N/N=C/[C@H]1CC=CCC1 4647021 XZAYVVKLXRWOIV-XOAFGZPJSA-N 256.349 3.078 50 50 CGGA C[C@@H](NC(=O)CCl)c1ccc(-c2cccnc2)cc1 1875364241 JYKMMOAUXMVSSK-LLVKDONJSA-N 274.751 3.165 50 50 CGGA [C-]#[N+][C@@H](Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 100264277 XBGXGWNKJBMMPR-MRXNPFEDSA-N 285.368 3.257 50 50 CGGA COc1cccc(NC(=O)C(C#N)=C2CCCC2)c1 6848044 IHSCBYQOCORZIZ-UHFFFAOYSA-N 256.305 3.028 50 50 CGGA BrC[C@H]1CCCN(Cc2ccccc2)C1 79436699 KXZVDKLLZCMUKD-CYBMUJFWSA-N 268.198 3.294 50 50 CGGA FC(F)(F)[C@H](Br)[C@@H](Cl)Br 103527648 JPHVAZGSOZCLPO-JCYAYHJZSA-N 290.304 3.272 50 50 CGGA in-vitro C[C@H](Cl)C(=O)NCc1ccc(-c2ccccc2F)o1 1875363707 UKTCWKNABIXRQC-VIFPVBQESA-N 281.714 3.329 50 50 CGGA O=C(NNc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 299466 ZINJRBIHTBMOPE-UHFFFAOYSA-N 291.694 3.005 50 50 CGGA CCCCC[C@@H]1C[C@H]1C(=O)N/N=C/c1ccc(C)o1 4964701 BBKIXSVVTNVOLI-QWMFHAOCSA-N 262.353 3.255 50 50 CGGA C[C@@H](Cl)C(=O)NN=C(c1ccccc1)c1ccccc1 1403636 PYSXPMVOUHMGEC-GFCCVEGCSA-N 286.762 3.183 50 50 CGGA OB(O)c1ccc2cc(-c3ccc4ccccc4c3)ccc2c1 202005818 RVXRXLWMFONJPE-UHFFFAOYSA-N 298.150 3.340 50 50 CGGA in-vitro CCCOc1ccc(C(=O)NC(C#N)=C(Cl)Cl)cc1 1857799711 VJSORQGHTBKRMH-UHFFFAOYSA-N 299.157 3.375 50 50 CGGA O=C1OC(=O)[C@@]23CCCCCCCCC[C@@]12CC3 101045765 XPNIIDLDQWMCRW-GASCZTMLSA-N 250.338 3.361 50 50 CGGA Cc1ccc([S@@](=O)[S@](=O)c2ccc(C)cc2)cc1 4800521 UUKMDQJYNIFVSZ-QZTJIDSGSA-N 278.398 3.134 50 50 CGGA N#C/C(=C\c1cccn(-c2ccccc2)c1=S)C(=O)O 252494427 NVIPEIKHVYIIMA-FMIVXFBMSA-N 282.324 3.198 50 50 CGGA BrP(c1ccccc1)c1ccccc1 100193789 RZSMSXXOYMFIKN-UHFFFAOYSA-N 265.090 3.429 50 50 CGGA FC(F)(F)C[C@H](I)C(F)(F)F 63148496 WJQPGXHOQNCFHC-REOHCLBHSA-N 291.960 3.305 50 50 CGGA Cc1cccc(C(=O)N/N=C/c2ccccc2Cl)c1 286652 FXVDOHBOXGGGPQ-LICLKQGHSA-N 272.735 3.412 50 50 CGGA CCOc1ccccc1/C=N/NC(=O)c1cc(C)oc1C 228242 GQSSTXRYSWWJHK-LICLKQGHSA-N 286.331 3.059 50 50 CGGA C[C@@H](Cl)C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 1875377254 BBGSDIGUZGESQS-ZWNOBZJWSA-N 295.814 3.119 50 50 CGGA O=C(O)[C@H](Br)Cc1ccc(Cl)cc1Cl 2801642 GGJSXUMCSSBZBK-SSDOTTSWSA-N 297.963 3.384 50 50 CGGA O=C(CBr)c1sccc1Br 153410 HGPTXIHDLCSSOZ-UHFFFAOYSA-N 283.972 3.088 50 50 CGGA C[C@H](Cl)C(=O)NCCCO[C@H]1CCCc2ccccc21 1875364885 XDWZKWIJIVSDGH-WFASDCNBSA-N 295.810 3.214 50 50 CGGA O=[N+]([O-])c1ccc(Cl)c(CBr)c1 169423 OGWGXOGPGAAWPM-UHFFFAOYSA-N 250.479 3.143 50 50 CGGA CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)NCc1ccco1 143964691 RLYWKBNFWTUKRH-GYICAMFKSA-N 287.363 3.057 50 50 CGGA C[Si](C)(C)OC(=O)CCCCC(=O)O[Si](C)(C)C 195767068 DVGSOFSBBKDKRU-UHFFFAOYSA-N 290.508 3.303 50 50 CGGA Cn1c(/C(C#N)=C/c2cccc(O)c2)nc2ccccc21 3899802 WMRHZZDZWPJNNZ-UKTHLTGXSA-N 275.311 3.343 50 50 CGGA O=[N+]([O-])c1ccc(-c2noc(C(Cl)Cl)n2)cc1 100014354 WBFJXYWJZJAOME-UHFFFAOYSA-N 274.063 3.121 50 50 CGGA FC(F)(F)Oc1ccccc1OCCBr 218736377 BNUKKRVANQMSGD-UHFFFAOYSA-N 285.059 3.359 50 50 CGGA CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1 431523 GTWSTDDXEJZVLS-XDHOZWIPSA-N 296.370 3.454 50 50 CGGA Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)O)c2C)c1 3305390 PYJLFGHDGOXLJV-OQLLNIDSSA-N 280.327 3.394 50 50 CGGA Fc1c(F)c(F)c(OC(=S)Cl)c(F)c1F 2545365 DKFQHZNKNWNZCO-UHFFFAOYSA-N 262.586 3.285 50 50 CGGA in-vitro CC(=O)n1c(Cl)c(NC(=O)CCl)c2ccccc21 287091 XHRPFARAFYNEMH-UHFFFAOYSA-N 285.130 3.132 50 50 CGGA C[Si](C)(CCl)c1c(F)c(F)c(F)c(F)c1F 169817838 DOAVMQCVLILAMC-UHFFFAOYSA-N 274.692 3.076 50 50 CGGA C[C@@H](NC(=O)CCl)c1csc(-c2ccccc2)n1 1875375102 RCWVMHYRSMPGOP-SECBINFHSA-N 280.780 3.226 50 50 CGGA C[C@@H](c1ccccc1)[C@H]1C(C#N)=C(N)Oc2cc(N)ccc21 2939596 VYSXFKKNTHCCMU-APPDUMDISA-N 291.354 3.242 50 50 CGGA O=C(N/N=C/c1ccccc1)C12CC3CC(CC(C3)C1)C2 4766778 KOALTEXDCASFCU-XDHOZWIPSA-N 282.387 3.353 50 50 CGGA C[C@H]1CCc2c(sc(NC(=O)[C@H](C)Cl)c2C#N)C1 37389575 DBXAQSNYAHLLSH-YUMQZZPRSA-N 282.796 3.310 50 50 CGGA Cc1ccc(C)c(OCCOCCBr)c1 2896093 QYDLQENWWAPAAT-UHFFFAOYSA-N 273.170 3.094 50 50 CGGA Cc1cc(C)cc(OCCOCCBr)c1 4989592 OPHMYWFWBRBWQA-UHFFFAOYSA-N 273.170 3.094 50 50 CGGA Cc1ccc(N2C=C(C#N)S(=O)(=O)c3ccccc32)cc1 67245517 SBXSVYJWWUHTEP-UHFFFAOYSA-N 296.351 3.285 50 50 CGGA O=[N+]([O-])c1ccc(C(Br)Br)cc1 1686984 MKHFRSNFHCJQIQ-UHFFFAOYSA-N 294.930 3.383 50 50 CGGA in-vitro C/C(=N\NC(=O)NC(C)C)c1ccccc1C(F)(F)F 222165458 ASZCKOJHWZEIHT-GIJQJNRQSA-N 287.285 3.137 50 50 CGGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(F)cc1 245226528 ARKQPFCUHVXHMV-FHVBXRPFSA-N 274.339 3.102 50 50 CGGA CC(C)=CC(=O)C[C@@H](C)[C@@H]1C[C@@H]2OO[C@H]1C=C2C 1772820384 RZQAPHUQMIHETH-KJEVXHAQSA-N 250.338 3.213 50 50 CGGA CCCCc1ccc(/C=C(\C#N)C(N)=S)s1 12410960 SBUVOAYIBFERCL-VQHVLOKHSA-N 250.392 3.284 50 50 CGGA CC1(C)CCCC(C=O)=C1C[S@@](=O)c1ccccc1 330729 HTQMNBWKNDWVIY-IBGZPJMESA-N 276.401 3.500 50 50 CGGA Cc1ccccc1C[C@H]1CCCN1C(=O)[C@H](C)Cl 1875364518 NNMDMAXSSNPHCD-GXTWGEPZSA-N 265.784 3.156 50 50 CGGA CC(C)(C)c1cc(/C=N/NC(N)=O)cc(C(C)(C)C)c1 43761843 MOWHRQHSJGATCL-VCHYOVAHSA-N 275.396 3.284 50 50 CGGA C[C@H]1CCc2c(C(=O)N/N=C/c3ccccn3)csc2C1 2735698 PRCFMZFGLOKTJN-KECVIQKOSA-N 299.399 3.032 50 50 CGGA O=C(Cl)COc1ccc(Br)cc1Cl 40451327 KQQRZZUQKPZRPM-UHFFFAOYSA-N 283.936 3.247 50 50 CGGA COc1ccc(C=C(C#N)c2nc3ccccc3[nH]2)cc1O 1857801041 CFOZJPCSQAQOFS-UHFFFAOYSA-N 291.310 3.341 50 50 CGGA N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)O)cc1 4810674 YMHPKMIUQHPZBF-ZROIWOOFSA-N 294.266 3.357 50 50 CGGA C/C(=N\NC(=O)c1cccs1)c1ccc(F)cc1 16711624 LPSRFSPZZFOTLR-OQLLNIDSSA-N 262.309 3.041 50 50 CGGA N#CC1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1ccncc1 405799 NPVOBTDUVGTYJX-QGZVFWFLSA-N 299.333 3.453 50 50 CGGA N#Cc1ccccc1P(c1ccccc1)c1ccccc1 109831762 FEOUZPAYKDNQBW-UHFFFAOYSA-N 287.302 3.316 50 50 CGGA CCc1ccc(NC(=O)[C@@H](Br)CC)cc1 32919613 PZTAZKQZSOKENI-NSHDSACASA-N 270.170 3.361 50 50 CGGA O=[N+]([O-])c1ccc(CBr)c(Cl)c1 33506663 MBLOVZIAFQVXIN-UHFFFAOYSA-N 250.479 3.143 50 50 CGGA CC(/C=C/c1ccccc1F)=N/NC(=O)c1cccnc1 253471191 NOWKMKUEMLASBL-NKSZTFINSA-N 283.306 3.040 50 50 CGGA O=C(N/N=C\c1cccc(Cl)c1)C1[C@H]2CCCC[C@H]12 100050564 OFBYMBUHMQNIGO-KDQYPKSJSA-N 276.767 3.226 50 50 CGGA OCc1ccccc1SSc1ccccc1CO 330049 GBCUGUWBYDCGFX-UHFFFAOYSA-N 278.398 3.471 50 50 CGGA O=P(c1ccccc1)(c1ccccc1)c1ccccc1 49867716 FIQMHBFVRAXMOP-UHFFFAOYSA-N 278.291 3.326 50 50 CGGA in-vitro C[C@H](Cl)C(=O)N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C 718106099 NXDDLOQEKKWAAT-IACUBPJLSA-N 295.810 3.114 50 50 CGGA CC[C@@H]1CCc2c(sc(NC(=O)CCl)c2C#N)C1 5476541 MODXYKLCFWAIIU-MRVPVSSYSA-N 282.796 3.312 50 50 CGGA C[C@H](Cl)C(=O)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 1875380789 ZXBPJJSZSRESQK-MXAVVETBSA-N 293.794 3.135 50 50 CGGA CC(C)(C)OC(=O)CCCCCI 39348073 MNNOXJIFTSBCFQ-UHFFFAOYSA-N 298.164 3.324 50 50 CGGA O=C(CBr)c1ccc(Cl)cc1F 84193592 LTPOJPRHJHZZSM-UHFFFAOYSA-N 251.482 3.057 50 50 CGGA Cc1ccc(NC(=O)[C@@H](C)Br)c(C)c1 32919932 NIGPMPURVZBYTB-SECBINFHSA-N 256.143 3.025 50 50 CGGA BrCc1cscc1Br 12370498 PYHREWOWCJSFSE-UHFFFAOYSA-N 255.962 3.406 50 50 CGGA Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)[C@H](F)Cl)o1 2325898623 OIINTSFVTAKCKR-UISBYWKRSA-N 273.735 3.422 50 50 CGGA CC(C)(C)OC(=O)[C@H](Br)c1ccccc1 113647102 QMOSMBHBHVHTSB-SNVBAGLBSA-N 271.154 3.464 50 50 CGGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccc1 130873 QQUWFXMXRVAVCX-XDHOZWIPSA-N 290.322 3.309 50 50 CGGA C=C(C)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1 183888 WHJNAZDBAZNWGM-CYBMUJFWSA-N 284.384 3.335 50 50 CGGA O=C1OC(=O)[C@]23CC=C4CCCC[C@H]4[C@]12CCCC3 104285199 ISHHSFXBLIFMIK-UHOFOFEASA-N 260.333 3.137 50 50 CGGA O=C(CCCl)Nc1ccc(OC(F)(F)F)cc1 4290623 PGRMKYGJYCECOK-UHFFFAOYSA-N 267.634 3.153 50 50 CGGA CC(C)(C)OC(=O)NNCc1cc(Cl)ccc1F 227545843 WSMHWEOIJZJOEN-UHFFFAOYSA-N 274.723 3.008 50 50 CGGA CCCCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1 3001506 HQPHKUGNSIDXNK-CPNJWEJPSA-N 297.358 3.024 50 50 CGGA CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccs1 229922 KJGVNCPJDOKDLP-OAHLLOKOSA-N 297.383 3.032 50 50 CGGA CSc1ccc(/C=N\NC(=O)Cc2cccs2)cc1 31841412 WAUGVSBINTWODM-GDNBJRDFSA-N 290.413 3.163 50 50 CGGA COc1ccc(C(F)(F)F)nc1CBr 238354974 BFOKBLPKMQUXAF-UHFFFAOYSA-N 270.048 3.004 50 50 CGGA C[Si](C)(O[Si](C)(C)c1ccccc1)c1ccccc1 169747778 YQJPWWLJDNCSCN-UHFFFAOYSA-N 286.523 3.228 50 50 CGGA in-vitro C/C(=N\NC(=O)c1cccc(Cl)c1)c1ccccc1O 12362514 IXQPPVXRXMQVLF-LICLKQGHSA-N 288.734 3.200 50 50 CGGA C[C@@H](Cc1cccc(OC2CCCC2)c1)NC(=O)CCl 1875364261 KBHGNMPOCGRLAM-LBPRGKRZSA-N 295.810 3.294 50 50 CGGA C[C@H](Cl)C(=O)Nc1ccc(Br)cc1 3252719 XUBDXLHGPBQDQM-LURJTMIESA-N 262.534 3.015 50 50 CGGA CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccco1 100195411 PPXFFLRVJBPSKD-SDQBBNPISA-N 288.310 3.288 50 50 CGGA N#CSCCOc1ccccc1Br 27322643 ZRWUDKWIDCJDLO-UHFFFAOYSA-N 258.140 3.042 50 50 CGGA CC(=O)c1ccc(/C(C#N)=C/c2ccncc2)s1 1403230 DIJQYQNOAFZYBN-XYOKQWHBSA-N 254.314 3.410 50 50 CGGA N#C/C(=C\c1ccc(O)cc1O)c1ccc([N+](=O)[O-])cc1 2060646 ZWIKGHGEQFYEMR-KPKJPENVSA-N 282.255 3.070 50 50 CGGA CC[C@H](C)NC(=O)/C(C#N)=C/c1c(C)[nH]c2ccccc12 2970975 GMVJMGQOJVJOGT-GJSJWPQCSA-N 281.359 3.298 50 50 CGGA CC[C@H](Br)C(=O)Nc1cccc(C)c1C 9095746 IPBROGQZLBCRRO-JTQLQIEISA-N 270.170 3.415 50 50 CGGA O=P(Br)(Br)Br 242687837 UXCDUFKZSUBXGM-UHFFFAOYSA-N 286.685 3.279 50 50 CGGA O=C(CCl)Nc1ccc(Oc2cccnn2)c(Cl)c1 1875375237 WAJFHCTYASYDGW-UHFFFAOYSA-N 298.129 3.100 50 50 CGGA C[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCCCl 2026520 YXUIWPHGOSIKIF-SNVBAGLBSA-N 280.755 3.064 50 50 CGGA biogenic CC1=CC[C@]23CCCC[C@]2(C1)[C@H](Cl)S(=O)(=O)C3 104285078 UQGLEFDMYZPYIK-AGIUHOORSA-N 274.813 3.267 50 50 CGGA CC(C)[C@@H]1[C@H]2C[C@H](C)CC=C2C(C#N)=C(N)C1(C#N)C#N 243956713 CCMTYXWYDBZHCU-OSAQELSMSA-N 280.375 3.015 50 50 CGGA COc1ccc(Br)cc1CBr 4207174 MZJDFNYHPWAVQP-UHFFFAOYSA-N 279.959 3.353 50 50 CGGA in-vitro O=C(CCl)N(Cc1ccccc1)c1ccccc1 1393099 CFSKJDUGDLZDTI-UHFFFAOYSA-N 259.736 3.459 50 50 CGGA O=C(CCl)Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-] 4829116 JOXXVRJENTUAAS-UHFFFAOYSA-N 283.498 3.079 50 50 CGGA C/C(=N\NC(=O)c1ccoc1)[C@@H]1C[C@H]1c1ccccc1 585146015 XXQULVVYKZMMKE-CNTTZWEVSA-N 268.316 3.189 50 50 CGGA CCOc1ccccc1/C=N/NC(=O)Nc1ccccc1 47485 VRHDCUJOZMFTBL-SFQUDFHCSA-N 283.331 3.241 50 50 CGGA O=C(Cc1ccccc1)N[C@@H]1CCCC[C@H]1Br 5736337 VPVWTZQGDKHCTB-CHWSQXEVSA-N 296.208 3.051 50 50 CGGA CCCc1[nH]nc2c1[C@@H](C1CCCCC1)C(C#N)=C(N)O2 115384 BJHIENGXIOZVPE-ZDUSSCGKSA-N 286.379 3.112 50 50 CGGA COc1cc(OC)c(NC(=O)C(Cl)Cl)cc1Cl 458463 PDASKLCGKLSXAK-UHFFFAOYSA-N 298.553 3.099 50 50 CGGA COc1ccccc1[C@H](NC(=O)[C@H](C)Cl)c1ccco1 1875363836 BIBSIOWPGKIOLS-HZMBPMFUSA-N 293.750 3.121 50 50 CGGA CC(C)c1nc2cc(CCNC(=O)[C@H](C)Cl)ccc2o1 1875375627 GSCVTHKSYUISBQ-JTQLQIEISA-N 294.782 3.237 50 50 CGGA O=C(N/N=C/c1ccccc1)c1ccccc1Cl 61819 PIEWRITYFYVJPO-MHWRWJLKSA-N 258.708 3.104 50 50 CGGA Cc1ccc(C)c([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c1 292520 UMXTYPIPGDFAPB-QGZVFWFLSA-N 291.354 3.104 50 50 CGGA O=C(Br)Nc1ccc(Br)cc1 392868 ZOJJMDOCTJKNFX-UHFFFAOYSA-N 278.931 3.376 50 50 CGGA CCCSC1=C(C#N)[C@H](c2ccc(C)o2)CC(=O)N1 9374764 ZFWVCJMUSXAGRT-SNVBAGLBSA-N 276.361 3.070 50 50 CGGA C[C@](F)(Br)[C@H](Cl)Br 100034778 WBKNWEJIMRYZJQ-STHAYSLISA-N 254.324 3.027 50 50 CGGA CC[C@@H](Br)C(=O)N[C@H](C)CCc1ccccc1 32919904 UYQUUPBNGHHXGK-DGCLKSJQSA-N 298.224 3.297 50 50 CGGA O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 4712985 VTUSZVXQUXFZGC-UHFFFAOYSA-N 291.694 3.005 50 50 CGGA O=C(N/N=C/c1ccc(Cl)cc1)Nc1ccccc1 96029 ABYDHFCNXZFOEE-MHWRWJLKSA-N 273.723 3.496 50 50 CGGA N#Cc1ccc(CBr)c(Br)c1 1734570 MGQYEILVGLSMRU-UHFFFAOYSA-N 274.943 3.216 50 50 CGGA in-vitro Cc1cc(C)n2nc(/C(C#N)=C/c3ccccc3)c(C#N)c2n1 5212303 RJTSYBYDMOXGLK-OQLLNIDSSA-N 299.337 3.282 50 50 CGGA O=C(N/N=C/c1cccc(Cl)c1)c1ccccc1 271240 ISYSUJPWVBUSQX-MHWRWJLKSA-N 258.708 3.104 50 50 CGGA O=C(N/N=C/c1cccc2ccccc12)c1ccc(O)cc1 288567 HRXYFFSBWOIYMU-XDHOZWIPSA-N 290.322 3.309 50 50 CGGA Cc1ccccc1/C=C(/C#N)C(=O)NCc1ccccc1 16362516 AQTGSWWICROAGN-BOPFTXTBSA-N 276.339 3.218 50 50 CGGA O=C(N/N=C/c1ccc(O)cc1)C12CC3CC(CC(C3)C1)C2 4737420 XRLXMUFUEVGEDO-YBFXNURJSA-N 298.386 3.059 50 50 CGGA Cc1ccc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 4956693 OHXJGGTYWZAIAL-LJNFXEMMSA-N 278.355 3.249 50 50 CGGA Cc1cc(C(=O)N/N=C/c2c(F)cccc2Cl)c(C)o1 381491 UEBUMMDYQZNAHF-REZTVBANSA-N 294.713 3.453 50 50 CGGA COc1ccccc1[C@H](NC(=O)[C@@H](C)Cl)c1ccco1 1875363839 BIBSIOWPGKIOLS-YGRLFVJLSA-N 293.750 3.121 50 50 CGGA O=C(Cl)c1ccc(Br)c(Cl)c1 36533192 OEFADALRZHTONM-UHFFFAOYSA-N 253.910 3.482 50 50 CGGA C/C(=N\NC(=O)c1ccncc1)c1ccc2c(c1)CCCC2 5005199 NVPBPGYSYBNXPV-DEDYPNTBSA-N 293.370 3.114 50 50 CGGA O=C(CCl)Nc1ccc(SC(F)F)cc1 3289344 OMMVKJHVXUMRML-UHFFFAOYSA-N 251.685 3.179 50 50 CGGA CC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(N)=S)o2)cc1 4820374 ZRVJCPFSVTWRSK-MDWZMJQESA-N 296.351 3.342 50 50 CGGA O=Cc1ccccc1P(c1ccccc1)c1ccccc1 68569426 DRCPJRZHAJMWOU-UHFFFAOYSA-N 290.302 3.257 50 50 CGGA in-vitro COC(=O)c1coc(/C=C(\C#N)C(=O)c2cccc(C)c2)c1 222311917 LEWLETQKIBTDAL-NTUHNPAUSA-N 295.294 3.165 50 50 CGGA CC[C@H](Br)C(=O)Nc1ccccc1Cl 9095754 FFXIBZWKPQIZNC-ZETCQYMHSA-N 276.561 3.452 50 50 CGGA O=C(NNc1cccc(Cl)n1)c1ccc(Cl)cc1 1394497 ULVYJUIAUJJIDK-UHFFFAOYSA-N 282.130 3.145 50 50 CGGA CCOc1cc(Br)c(C(=O)Cl)cc1OC 40451481 GTPKIZFFIVQGTO-UHFFFAOYSA-N 293.544 3.235 50 50 CGGA O=C(OCc1ccccc1)N1CCC(Br)CC1 158644 BFWKSPOSMPKTSV-UHFFFAOYSA-N 298.180 3.183 50 50 CGGA in-vitro CC(C)(C)c1[nH]nc2c1[C@H]([C@H]1C=CCCC1)C(C#N)=C(N)O2 550850 AFTHMAMOWSXMPL-CMPLNLGQSA-N 298.390 3.233 50 50 CGGA COC(=O)CCCCCCCCI 34310290 OOANVDTUZGIOSK-UHFFFAOYSA-N 298.164 3.325 50 50 CGGA CCOc1cc(C(=O)Cl)cc(Br)c1OC 40451559 FXVKMNQTFRXBJZ-UHFFFAOYSA-N 293.544 3.235 50 50 CGGA Cl[P+](N1CCCC1)(N1CCCC1)N1CCCC1 60272390 FPCYGBNBXWIKGJ-UHFFFAOYSA-N 276.772 3.190 50 50 CGGA Cc1cc(CBr)c2c(c1)C(=O)OC(C)(C)O2 261507775 MEYCVULWQVARCN-UHFFFAOYSA-N 285.137 3.175 50 50 CGGA Fc1c(F)c(F)c(CO/N=C/CCl)c(F)c1F 1083805044 RCPQBQZSXJVXEH-APQPDGGLSA-N 273.588 3.123 50 50 CGGA CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)c1ccccc1O)C2 12384176 JJMLYWBKFVMLFA-AXDVYOKHSA-N 286.375 3.324 50 50 CGGA O=C(N/N=C/C(F)(F)F)c1ccc(Cl)c(Cl)c1 38823952 RZROLWDIXJPUGK-SYZQJQIISA-N 285.052 3.271 50 50 CGGA [C-]#[N+][C@H](C1CCCC1)S(=O)(=O)c1ccc(C)cc1 100000486 SNBRQNBTPMQAPH-AWEZNQCLSA-N 263.362 3.204 50 50 CGGA N#Cc1ccc(/C=N/NC(=O)CCCc2ccccc2)cc1 35653655 PCSFEGLRUFQFOH-XSFVSMFZSA-N 291.354 3.031 50 50 CGGA C=C[C@@]12CC[C@@H]([C@H](O[Si](C)(C)C)C1=O)C2(C)C 257358854 WTWIXWBEIDDRPR-COPLHBTASA-N 252.430 3.398 50 50 CGGA O=C(Nc1nccs1)[C@@H](Cl)c1ccccc1 20028293 BDBCWILLJCUQQW-VIFPVBQESA-N 252.726 3.062 50 50 CGGA C[C@H](Cl)C(=O)N[C@@H](C)c1nc(-c2cccnc2)cs1 1875364023 HOEYZRKDZJBLIX-IUCAKERBSA-N 295.795 3.010 50 50 CGGA CCOc1ccccc1[P@](C)(=O)c1ccccc1 391652 MRPGMHUSNXKRCT-GOSISDBHSA-N 260.273 3.029 50 50 CGGA O=C(O)[C@@H](Br)Cc1cc(Cl)ccc1Cl 2797502 POLFUCFJSKPXDS-ZETCQYMHSA-N 297.963 3.384 50 50 CGGA N#CC1=C(N)Oc2cc3ccccc3cc2[C@@H]1c1cccnc1 4051122 IGDAHWBHOGLRHU-SFHVURJKSA-N 299.333 3.453 50 50 CGGA Cc1ccc(/C=N/NC(=O)c2ccccc2C)cc1 271248 WUVAQWJCOFKEOS-GZTJUZNOSA-N 252.317 3.067 50 50 CGGA Cc1ccc(NC(=O)[C@H](C)Br)cc1Cl 16849145 RNJQLFCPEGDTJW-ZETCQYMHSA-N 276.561 3.370 50 50 CGGA N#CC(C#N)=C1NC2(CCCCC2)Cc2ccccc21 51829 VNLOWPWCLSIYRF-UHFFFAOYSA-N 263.344 3.293 50 50 CGGA C[C@@H](Cl)C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 1875376340 SYUXYMZSWDOFKV-KCPJHIHWSA-N 275.779 3.461 50 50 CGGA CCCC(=O)NNC(=S)Nc1ccc([C@@H](C)CC)cc1 6389074 REWPRNBPTPQPFD-NSHDSACASA-N 293.436 3.318 50 50 CGGA CC(=O)[C@@H](Cl)Cc1cccc(C(F)(F)F)c1 2147422 QRFOJCFYLIOVCP-JTQLQIEISA-N 250.647 3.444 50 50 CGGA CC(C)(C)OC(=O)N1CCC[C@@](F)(CBr)C1 95707776 PXVKUFJNNKESBN-LLVKDONJSA-N 296.180 3.121 50 50 CGGA C[C@@H]1CCC/C(=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 4949267 UPXNXQWSYDTWFQ-GRIXYEEHSA-N 270.376 3.472 50 50 CGGA CC[C@@H]1C(C#N)=C(SC)NC2=C1C(=O)CC(C)(C)C2 19337938 QRQFMIZSRXZWBW-SECBINFHSA-N 276.405 3.357 50 50 CGGA COc1ccc2[nH]c(/C(C#N)=C\c3ccco3)nc2c1 4739822 FMNSLWSOMVCDLG-YFHOEESVSA-N 265.272 3.229 50 50 CGGA COc1cc(-c2nc(CCl)c(C)o2)cc(OC)c1OC 30677697 PSAFEPFUPOBJFZ-UHFFFAOYSA-N 297.738 3.415 50 50 CGGA COc1ccc(/C=N\NC(=O)c2ccccc2Cl)cc1 33285215 BPSUULGZQYRGDE-YVLHZVERSA-N 288.734 3.113 50 50 CGGA Cc1cc(=O)oc2cc(OCCCCl)ccc12 2090316 GGWDQCBLLZHCBH-UHFFFAOYSA-N 252.697 3.109 50 50 CGGA biogenic Clc1cccc(OCCOCCBr)c1 4989594 BESPNVMMFMERES-UHFFFAOYSA-N 279.561 3.130 50 50 CGGA O=[N+]([O-])c1cccc2c1ccn2CCCBr 216068284 OQFDCKVKBNQFEV-UHFFFAOYSA-N 283.125 3.335 50 50 CGGA C/C(=N\NC(=O)NC1CCCC1)c1cccc(Cl)c1 1875257033 DZTDLNLFADTYML-LICLKQGHSA-N 279.771 3.306 50 50 CGGA C[C@@H](c1ccccc1)[C@@H]1C(C#N)=C(N)Oc2cc(N)ccc21 2939592 VYSXFKKNTHCCMU-GTNSWQLSSA-N 291.354 3.242 50 50 CGGA C[C@@H](Cl)C(=O)Nc1ccc(Br)cc1 3252721 XUBDXLHGPBQDQM-ZCFIWIBFSA-N 262.534 3.015 50 50 CGGA COc1cc(Br)c(CCl)cc1OC 4206274 GJOPMIJUVCIPIZ-UHFFFAOYSA-N 265.534 3.205 50 50 CGGA Cc1ccc(-n2c(CCl)nc3ccccc3c2=O)cc1 4618842 OZHLXITVGGWFEF-UHFFFAOYSA-N 284.746 3.433 50 50 CGGA C[C@H](Cl)C(=O)N1[C@H]2CC[C@H]1CC(CC(F)F)C2 1875366977 APBPOEIYCQEASL-HGNGGELXSA-N 265.731 3.039 50 50 CGGA CCOC(=O)CCCCCCCBr 1662133 UBTQVPMVWAEGAC-UHFFFAOYSA-N 251.164 3.285 50 50 CGGA CC1=CC[C@]23CCCC[C@]2(C1)[C@@H](Cl)S(=O)(=O)C3 101045926 UQGLEFDMYZPYIK-AVGNSLFASA-N 274.813 3.267 50 50 CGGA Cc1ccc2nc(NC(=O)CCCl)sc2c1 5815176 QJZMKHLLJOADHG-UHFFFAOYSA-N 254.742 3.172 50 50 CGGA O=C(Cl)c1cnn(-c2ccccc2)c1C(F)(F)F 2170129 FSZPLNSWCMTQRJ-UHFFFAOYSA-N 274.629 3.270 50 50 CGGA COc1ccc(C(=O)CBr)cc1C(F)(F)F 2243399 USQADSVCNKYKRQ-UHFFFAOYSA-N 297.070 3.292 50 50 CGGA Fc1ccc(CBr)c(C(F)(F)F)n1 238628084 XLBMZOCALOEEBH-UHFFFAOYSA-N 258.012 3.134 50 50 CGGA O=C(N/N=C/c1ccc2ccccc2c1)c1ccc(O)cc1 250753 RNZIMBFHRXYRLL-XDHOZWIPSA-N 290.322 3.309 50 50 CGGA Cc1c(C(=O)[C@H](C)Br)c2ccccc2n1C 64038131 HJCJRAHORMTLBI-QMMMGPOBSA-N 280.165 3.453 50 50 CGGA COc1ccc(/C=C(\C#N)c2ccccn2)c(OC)c1 4547666 YCUUUNYRLIKKCP-UKTHLTGXSA-N 266.300 3.163 50 50 CGGA Cc1nc(Br)c(CBr)s1 230530107 IDSLVZOIJHPPGT-UHFFFAOYSA-N 270.977 3.109 50 50 CGGA CC(C)(C)OC(=O)NNC(=S)c1cccc(Cl)c1 1775977371 YERGDROKSMNQBL-UHFFFAOYSA-N 286.784 3.045 50 50 CGGA C[C@@H](Cl)C(=O)NCc1cc(C(F)(F)F)cs1 1875369699 BUKACYMYRLLBOL-RXMQYKEDSA-N 271.691 3.010 50 50 CGGA CCOc1ccccc1-c1nc(/C(C#N)=C(/C)N)cs1 253416293 WHZHGYUUIYDQEZ-BENRWUELSA-N 285.372 3.422 50 50 CGGA COc1ccc(C=C(C#N)C#N)c(Cn2cc(Cl)cn2)c1 441821 MZRPVEQEFYRBLB-UHFFFAOYSA-N 298.733 3.024 50 50 CGGA CC/C(Cc1ccccc1)=N\NC(=O)c1ccccc1 4985138 IRFHQIAOQWJCFD-FBMGVBCBSA-N 266.344 3.425 50 50 CGGA O=C(NNc1ccccc1)c1ccc(Br)cc1 4956938 UOBAMJPUTFDXHD-UHFFFAOYSA-N 291.148 3.206 50 50 CGGA O=C(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl 4827788 BCCCFAMZWBDOKK-UHFFFAOYSA-N 264.750 3.296 50 50 CGGA CC1=C(C#N)[C@H](c2ccncc2)C2=C(CC(C)(C)CC2=O)N1 25695303 ZTUMYXKKJAQBQM-INIZCTEOSA-N 293.370 3.209 50 50 CGGA CSc1ccc(C(=O)NNc2ccccc2)cc1 71772753 DYIDPQQJWVZMBT-UHFFFAOYSA-N 258.346 3.165 50 50 CGGA CC(C)(C)C(=O)CCCC(=O)NNc1ccc(F)cc1 294585553 WNFAGWZNBVMAFD-UHFFFAOYSA-N 280.343 3.054 50 50 CGGA Fc1cc(N=C=S)cc(F)c1Br 15444487 UQVJUTRQHOWKSK-UHFFFAOYSA-N 250.067 3.462 50 50 CGGA C/C(=N\NC(=O)c1cccnc1)C12CC3CC(CC(C3)C1)C2 4737781 SHPNPYAVFURMKM-UDWIEESQSA-N 297.402 3.404 50 50 CGGA Cc1ccc(OCC(=O)N/N=C/C=C/c2ccccc2)cc1 1956422 AXYBSAZZSURPLZ-ULKOKDFMSA-N 294.354 3.189 50 50 CGGA CC(=O)SCP(c1ccccc1)c1ccccc1 72399764 LVXOEEJOVFRDTQ-UHFFFAOYSA-N 274.325 3.357 50 50 CGGA O=[N+]([O-])c1cc(CBr)ccc1Br 16697053 PXAIZWVEYHNBLL-UHFFFAOYSA-N 294.930 3.252 50 50 CGGA O=C(CCl)[C@@H]1C[C@@H]1c1csc(Br)c1 1857785372 JZMXJEKDYDOHFO-RNFRBKRXSA-N 279.586 3.422 50 50 CGGA O=C(CCl)Nc1ccc(OC(F)F)c(Cl)c1 2537612 WWDMFMODJDSMSY-UHFFFAOYSA-N 270.062 3.119 50 50 CGGA Cl[C@@H](Br)C(Cl)(Cl)Br 95731045 VXKOVUFOVCJHBA-PVQJCKRUSA-N 291.197 3.473 50 50 CGGA CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1 178144 FYMSTZNSPUYHIB-JTQLQIEISA-N 278.764 3.042 50 50 CGGA COCO[C@](C)(CCCO)CO[Si](C)(C)C(C)(C)C 169836571 LDSJYFSSNGVGEU-CQSZACIVSA-N 292.492 3.160 50 50 CGGA Cc1scc(C(=O)N/N=C/C=C/c2ccco2)c1C 2110911 NPPZINKTYSKVRO-ZXPNPXPCSA-N 274.345 3.387 50 50 CGGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1 38769 DBEOMZGGGVXFHZ-OAHLLOKOSA-N 294.354 3.137 50 50 CGGA in-vitro O=C1CC[C@H](Br)c2c1cnn2-c1ccccc1 2080385653 VFWUSDPLNPEGJD-NSHDSACASA-N 291.148 3.285 50 50 CGGA Cc1cc(C(=O)N/N=C/c2c[nH]c3ccccc23)cs1 373926 CZPKKFHCHZTGAZ-CAOOACKPSA-N 283.356 3.302 50 50 CGGA CCC1CCC(=C(C#N)C(=O)N2CCCCC2)CC1 1459213 DGAKRIMKGJCJGR-UHFFFAOYSA-N 260.381 3.419 50 50 CGGA CCC(C#N)=C1CCN(C(=O)OC(C)(C)C)CC1 72194133 VOLVRCOPABEBIC-UHFFFAOYSA-N 250.342 3.247 50 50 CGGA in-vitro COc1ccc(OC(F)(F)F)cc1CBr 2527884 HSHYZUINFUNPJO-UHFFFAOYSA-N 285.059 3.489 50 50 CGGA CC(C)[C@H]1[C@@H]2C[C@H](C)CC=C2C(C#N)=C(N)C1(C#N)C#N 6381889 CCMTYXWYDBZHCU-KYOSRNDESA-N 280.375 3.015 50 50 CGGA CC[C@@H](Br)C(=O)Nc1cccc(C)c1C 9095747 IPBROGQZLBCRRO-SNVBAGLBSA-N 270.170 3.415 50 50 CGGA Cc1onc(-c2ccccc2)c1C(=O)CBr 158493 QKOOGOQWNSWJFQ-UHFFFAOYSA-N 280.121 3.228 50 50 CGGA in-vitro CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1 2472680 DBEOMZGGGVXFHZ-HNNXBMFYSA-N 294.354 3.137 50 50 CGGA in-vitro Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)C2=C(C#N)C#N 533656 UNTXAUIZMPXMMI-NSHDSACASA-N 291.354 3.428 50 50 CGGA COC(=O)C(C)(C)c1ccc(C(=O)CCCCl)cc1 21991760 ULWORPZJUIFPIC-UHFFFAOYSA-N 282.767 3.339 50 50 CGGA in-vitro COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2)ccc1C 2325809572 KRRVVVQSTPZGJL-XDHOZWIPSA-N 296.370 3.005 50 50 CGGA CC(C)[C@H]1[C@H]2C[C@H](C)CC=C2C(C#N)=C(N)C1(C#N)C#N 6381902 CCMTYXWYDBZHCU-ZLDLUXBVSA-N 280.375 3.015 50 50 CGGA C[C@@H]1CCC=C2C(=O)C[C@@H]3OOC(C)(C)[C@@H]3[C@@]21C 169422950 KXGHHSIMRWPVQM-MSELDCQNSA-N 250.338 3.047 50 50 CGGA biogenic CC(C)(C)c1[nH]nc2c1[C@H]([C@@H]1C=CCCC1)C(C#N)=C(N)O2 550847 AFTHMAMOWSXMPL-ZYHUDNBSSA-N 298.390 3.233 50 50 CGGA O=C(N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1C[C@H]1c1ccccc1 101633695 MAYMNKZQJBDATR-XOSPQOEMSA-N 282.387 3.328 50 50 CGGA C[C@H](Cl)C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 1875377246 BBGSDIGUZGESQS-GWCFXTLKSA-N 295.814 3.119 50 50 CGGA C=CCOc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1 4372605 NOWIRFHLXJHPPH-CPNJWEJPSA-N 294.354 3.324 50 50 CGGA Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccccc2)cc1 150961 AIBTZXKBPAAMRL-LFIBNONCSA-N 283.352 3.333 50 50 CGGA CC(C)c1nc2cc(CCNC(=O)[C@@H](C)Cl)ccc2o1 1875375628 GSCVTHKSYUISBQ-SNVBAGLBSA-N 294.782 3.237 50 50 CGGA CCSC1=C(C#N)[C@H](c2ccccc2Cl)CC(=O)N1 8969487 ZBTDNTUFQIVMTO-JTQLQIEISA-N 292.791 3.432 50 50 CGGA C[C@@H](Cl)C(=O)Nc1sc2c(c1C#N)CCCC2 35411703 QDNBLWIYQROMJW-SSDOTTSWSA-N 268.769 3.064 50 50 CGGA CCOc1cccc(C2=NO[C@H]([C@H](C)Cl)C2)c1 217006717 BOBGKSBLZCYLHU-ZANVPECISA-N 253.729 3.206 50 50 CGGA BrCCc1ccccc1Br 1578050 RUGOFYNHMCFJFD-UHFFFAOYSA-N 263.960 3.387 50 50 CGGA in-vitro N#CC1=C(N)Oc2ccc3ccccc3c2[C@H]1c1cccnc1 207240 QRROZYHGCJIAJU-KRWDZBQOSA-N 299.333 3.453 50 50 CGGA CC(C)c1ccc(NC(=O)CBr)cc1 41698472 WSKPAMOYGYCIPG-UHFFFAOYSA-N 256.143 3.143 50 50 CGGA C[P@](=O)(c1ccccc1)c1ccc(Cl)cc1 2325809493 BAYJMKAJXKHMIK-INIZCTEOSA-N 250.665 3.284 50 50 CGGA CC(C)=CC(=O)C[C@@H](C)[C@H]1C[C@@H]2OO[C@H]1C=C2C 1772820386 RZQAPHUQMIHETH-RABLLNBGSA-N 250.338 3.213 50 50 CGGA CCC1CCC(N(C[C@H]2CCCO2)C(=O)CCl)CC1 1875381296 PYGDCJPNZCSHEK-JXQTWKCFSA-N 287.831 3.202 50 50 CGGA O=C(NNc1cccc(O)c1)c1ccc(Cl)c(Cl)c1 2143566 GZSDBDDYPYQAKZ-UHFFFAOYSA-N 297.141 3.456 50 50 CGGA CC(/C=N/NC(=O)c1ccco1)=C\c1ccccc1 13571907 YPOUSYHVAVAKGG-SKZWUVKFSA-N 254.289 3.099 50 50 CGGA C[C@H](Cl)C(=O)Nc1sc2c(c1C#N)CCCC2 35411702 QDNBLWIYQROMJW-ZETCQYMHSA-N 268.769 3.064 50 50 CGGA O=C1CC[C@@H](Br)c2c1cnn2-c1ccccc1 2080385652 VFWUSDPLNPEGJD-LLVKDONJSA-N 291.148 3.285 50 50 CGGA CC(/C=C/c1ccccc1)=N\NC(=O)[C@@H]1CC12CCC2 4950194 YRITYNOCYPPIGX-HDRQPFFISA-N 268.360 3.382 50 50 CGGA CSC1=C(C#N)[C@H](c2ccccc2Cl)CC(=O)N1 1265701 BQZOMPIVWRTZHO-VIFPVBQESA-N 278.764 3.042 50 50 CGGA CSc1nc(Cl)c(CBr)c(Cl)n1 238436950 SSSHTGHRDHAKJK-UHFFFAOYSA-N 287.997 3.400 50 50 CGGA O=C(NNc1nc2ccccc2s1)C1CCCCC1 12650920 FAQGZEOQEFBGOE-UHFFFAOYSA-N 275.377 3.320 50 50 CGGA COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1 15357242 SSDAFVBXRVRMDP-KAMYIIQDSA-N 278.311 3.241 50 50 CGGA O=C(Nc1cccc(Cl)c1)OCC#CCCl 1652009 MCOQHIWZJUDQIC-UHFFFAOYSA-N 258.104 3.131 50 50 CGGA in-vitro O=C(CCl)N[C@@H]1CCC[C@@H]1CCc1ccccc1 1875379273 PCJDBWGBEGQUIA-ZIAGYGMSSA-N 265.784 3.143 50 50 CGGA O=P(c1ccccc1)(c1ccccc1)[C@@H](O)c1ccco1 161739 QSQNTHAUQYOCHE-QGZVFWFLSA-N 298.278 3.285 50 50 CGGA Cc1ccc(-c2cc(C(=O)NN)c3cc(C)ccc3n2)cc1 6277521 DUFPPBUXIJYYMZ-UHFFFAOYSA-N 291.354 3.122 50 50 CGGA C[Si](C)(CCBr)CCBr 196283317 ZTRQEQWTQBKCSX-UHFFFAOYSA-N 274.072 3.485 50 50 CGGA CCCC(=NNC(=O)c1ccc(O)cc1O)c1ccccc1 252428181 SLFYDMIJKFJHEU-UHFFFAOYSA-N 298.342 3.032 50 50 CGGA Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)o1 43637 PCQNNGXTXMGJNU-CQSZACIVSA-N 298.342 3.039 50 50 CGGA COC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[C@@H]1Br 4775541 VHRHVTRJERUPBV-MMWGEVLESA-N 275.186 3.139 50 50 CGGA FC(F)(F)C[C@@](F)(Br)CBr 71790158 QROYPQWDIFNHHN-VKHMYHEASA-N 287.876 3.394 50 50 CGGA CCCC1CCC([C@@H]2CC=C(B(O)O)CC2)CC1 169934332 ZDOBCKIGBGWTHO-JXQTWKCFSA-N 250.191 3.331 50 50 CGGA C[C@@H](Cl)C(=O)N[C@@H](CC1CCCCC1)c1ncccn1 1875364026 ACOVONGEBMERBC-YPMHNXCESA-N 295.814 3.232 50 50 CGGA CCCSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1 9087459 UTGUYJLSUANKRJ-GFCCVEGCSA-N 272.373 3.168 50 50 CGGA CC(C)Oc1ccccc1OCCBr 198404101 CVWFRAFMETVLSK-UHFFFAOYSA-N 259.143 3.248 50 50 CGGA COc1cc(CBr)c(C(F)(F)F)cn1 238389236 BTBZORKXPABXPM-UHFFFAOYSA-N 270.048 3.004 50 50 CGGA CC/C(=N\NC(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1ccc(O)cc1 252320586 BZWAQTKHDZAZRU-KMGPBQAISA-N 286.375 3.059 50 50 CGGA CCc1ccc(CC[Si](OC)(OC)OC)cc1CC 207103017 UIDIHRVZQQQINK-UHFFFAOYSA-N 282.456 3.232 50 50 CGGA C[C@H](Cl)C(=O)NCCCO[C@@H]1CCCc2ccccc21 1875364884 XDWZKWIJIVSDGH-SWLSCSKDSA-N 295.810 3.214 50 50 CGGA C/C(CCC[C@H]1[C@H]2CC[C@@H](C2)C1(C)C)=N/NC(N)=O 100371814 YALFBPKIPIVCOZ-LLUMSTGQSA-N 265.401 3.273 50 50 CGGA CC[C@H](Br)C(=O)N[C@H](C)CCc1ccccc1 32919906 UYQUUPBNGHHXGK-YPMHNXCESA-N 298.224 3.297 50 50 CGGA COc1cc(Br)ccc1CBr 72233144 ZGNKVLNPAFWDIC-UHFFFAOYSA-N 279.959 3.353 50 50 CGGA in-vitro O=C1c2ccccc2C(=O)N1c1cccc(CCl)c1 207544761 GMKRACRRSYWVKR-UHFFFAOYSA-N 271.703 3.226 50 50 CGGA F[C@H](Br)CC(F)(F)Br 71872197 KUGXARLZCNNOIV-REOHCLBHSA-N 255.859 3.055 50 50 CGGA Cc1cc(NC(=O)CCl)ccc1NC(=O)c1ccco1 1116437660 MIOQQZDDKLKEAO-UHFFFAOYSA-N 292.722 3.018 50 50 CGGA N#CC1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccncc1 405798 NPVOBTDUVGTYJX-KRWDZBQOSA-N 299.333 3.453 50 50 CGGA C[C@@H](Cl)C(=O)N1CCN(C2CC2)c2ccc(Cl)cc21 1875380139 GFXVMVUMFNZQQT-SECBINFHSA-N 299.201 3.283 50 50 CGGA O=C1O[C@@H](Br)c2cc(Br)ccc21 113085927 AVHYDEJTOWNHJV-SSDOTTSWSA-N 291.926 3.013 50 50 CGGA CC(=NNC(=O)[C@@H](C)Nc1ccccc1)c1ccc(F)cc1 245253718 LOXBYUQQHCZVJC-CYBMUJFWSA-N 299.349 3.167 50 50 CGGA CC1(C)OB(/C=C/CO[Si](C)(C)C)OC1(C)C 169747095 QNVCVEHGYIBMLB-CMDGGOBGSA-N 256.227 3.026 50 50 CGGA CSC1=C(C#N)[C@@H](c2ccc(C)o2)C(C(C)=O)=C(C)N1 2860669 WSQPWRPVIBEANQ-AWEZNQCLSA-N 288.372 3.236 50 50 CGGA N#CC(C#N)=Cc1c[nH]nc1-c1ccc(Cl)cc1 6414031 FPTFCTAQONQGHW-UHFFFAOYSA-N 254.680 3.161 50 50 CGGA CC1=C(C#N)[C@@H](c2ccccc2F)C2=C(CCCC2=O)N1 19761715 GWVHQWKKVVQTJL-MRXNPFEDSA-N 282.318 3.317 50 50 CGGA O=C(CCl)c1ccc(NC(=O)c2ccccc2)cc1 4206247 CSABDAXPSTVWLP-UHFFFAOYSA-N 273.719 3.360 50 50 CGGA ClCc1cc(Br)cnc1CCl 100089060 WJJGQDBACOBINU-UHFFFAOYSA-N 254.942 3.322 50 50 CGGA Cc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1 559848 UVSFTOFGIFFBHU-LICLKQGHSA-N 272.735 3.412 50 50 CGGA Cc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(O)cc1 434436 VHYNWSUXXXHMEN-UVTDQMKNSA-N 278.311 3.246 50 50 CGGA Cc1cc(C)n(-c2ccc(NC(=O)[C@@H](C)Cl)cc2)n1 1875364130 JBINNMSRMNNKNH-LLVKDONJSA-N 277.755 3.055 50 50 CGGA O=C(N/N=C/c1ccccc1Cl)c1ccc(F)cc1 259463 DNRSNRAJLOLILI-RQZCQDPDSA-N 276.698 3.243 50 50 CGGA C[C@@H](Cl)C(=O)N1CC(C)(C)[C@H]1c1cccs1 1875376035 MKVKTKGVZUHCQI-PSASIEDQSA-N 257.786 3.285 50 50 CGGA CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccs1 229918 KJGVNCPJDOKDLP-HNNXBMFYSA-N 297.383 3.032 50 50 CGGA N#CC1=C(N)OC2=C(CCCC2)[C@H]1c1ccc(F)cc1 236112 LTMJZYFDMIUYAI-OAHLLOKOSA-N 270.307 3.461 50 50 CGGA N#CC(=C=N)/C=C1\CCCC(C=C(C#N)C#N)=C1Cl 60272235 QXOSZLIWELBDJX-UUILKARUSA-N 268.707 3.262 50 50 CGGA FC(F)(F)C[C@](F)(Br)CBr 71790159 QROYPQWDIFNHHN-GSVOUGTGSA-N 287.876 3.394 50 50 CGGA O=C(NNc1nc2ccccc2s1)c1ccccc1F 440206 WYKZCVMXQPOSQY-UHFFFAOYSA-N 287.319 3.192 50 50 CGGA CCCCC[C@H]1C[C@H]1C(=O)N/N=C/c1ccc(C)o1 4964703 BBKIXSVVTNVOLI-HKVGSQCBSA-N 262.353 3.255 50 50 CGGA Fc1ccc(C(F)(F)F)nc1CBr 238626842 VAMIXDZTJHELEO-UHFFFAOYSA-N 258.012 3.134 50 50 CGGA Cc1ccsc1/C=N/NC(=O)Cc1ccc(Cl)cc1 175364 NUNVHNOYTNTNQK-CXUHLZMHSA-N 292.791 3.403 50 50 CGGA Cc1ccc(C(=O)N/N=C/c2cccc3cccnc23)cc1 435030 LUDZEUQBXPPCJF-UDWIEESQSA-N 289.338 3.307 50 50 CGGA COC(=O)CCC[C@H](Br)c1ccccc1 113559997 VFDHOEUTMYIPMF-NSHDSACASA-N 271.154 3.466 50 50 CGGA CCCCOC(=O)CSSCC(=O)OCCCC 4577487 RUKRYLBUAIGWQI-UHFFFAOYSA-N 294.438 3.054 50 50 CGGA CC[C@@H](Oc1ccc(Br)cc1)C(=O)Cl 40451367 SMNPEWBYDYGUBD-SECBINFHSA-N 277.545 3.372 50 50 CGGA CCc1cccc(C)c1NC(=O)[C@H](C)Br 3106436 SQBYZLSKEHLGCY-VIFPVBQESA-N 270.170 3.279 50 50 CGGA COc1ccc(-c2csc(/C=C(\C#N)C(=O)O)c2)cc1 4541910 DVXPHUXMENKAET-IZZDOVSWSA-N 285.324 3.415 50 50 CGGA COc1ccc(Br)c(CCl)c1F 75898765 AGVZIBPTPUDSHV-UHFFFAOYSA-N 253.498 3.336 50 50 CGGA O=C(N/N=C/c1cccc(O)c1)c1csc2ccccc12 371687 TVTKCKQIKRKXHQ-RQZCQDPDSA-N 296.351 3.371 50 50 CGGA CC1(C)Oc2ccc3ccc(=O)oc3c2C(C=O)=C1Cl 226095 JUIGIRDNHARNHG-UHFFFAOYSA-N 290.702 3.113 50 50 CGGA biogenic O=C1OC(=O)[C@H](c2ccccc2)C[C@H]1c1ccccc1 100660819 HKHKTBJSXNDPQE-GJZGRUSLSA-N 266.296 3.028 50 50 CGGA O=C(Cl)c1cc(F)c(F)cc1Br 16125763 UFZYNSSKIDMEDS-UHFFFAOYSA-N 255.445 3.106 50 50 CGGA in-vitro CCN(CC)c1cccc(NC(=O)[C@@H](C)Cl)c1 2162121 HHGPAQQRGYWABM-SNVBAGLBSA-N 254.761 3.099 50 50 CGGA CC(C)(C)[Si](C)(C)OCCI 169745282 CAAUZMMMFDVBFD-UHFFFAOYSA-N 286.229 3.443 50 50 CGGA in-vitro C[C@@H]1[C@H]2C[C@@H](C(C)(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N 106233770 YWNLJOXMFLFSCZ-MBNYWOFBSA-N 294.402 3.405 50 50 CGGA C[C@H]1CCc2c(sc(NC(=O)[C@@H](C)Cl)c2C#N)C1 37389571 DBXAQSNYAHLLSH-JGVFFNPUSA-N 282.796 3.310 50 50 CGGA O=C(Cc1cccs1)N/N=C/c1cccc(Cl)c1 553920 PAHWSFSSUSFBMW-OQLLNIDSSA-N 278.764 3.094 50 50 CGGA O=C(Nc1cccc(C(F)(F)F)c1)C(Cl)Cl 1722498 IVMXNTACFUFRFU-UHFFFAOYSA-N 272.053 3.448 50 50 CGGA Cc1ccc2[nH]c(/C(C#N)=C\c3ccc([N+](=O)[O-])o3)nc2c1 8578052 KYFKUQZHXQMABC-YFHOEESVSA-N 294.270 3.437 50 50 CGGA aggregator COc1c(CBr)ccnc1C(F)(F)F 238374934 AGYAPGFBETVDFT-UHFFFAOYSA-N 270.048 3.004 50 50 CGGA CCCC1(CCC)[C@H](CC)[C@H]1/C(C)=N/NC(N)=O 4947756 KLGBWJHOHXLSPX-DYBVGFEPSA-N 253.390 3.273 50 50 CGGA O=C(OCc1ccccc1)N1CCC[C@@H]1CCl 12650376 GWLBVPAKNFVYLA-GFCCVEGCSA-N 253.729 3.026 50 50 CGGA C[C@@H](Cl)C(=O)N1[C@H]2CC[C@H]1CC(CC(F)F)C2 1875366978 APBPOEIYCQEASL-JEZHCXPESA-N 265.731 3.039 50 50 CGGA Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@H](C)Cl)cc1 1875364570 WYPWNFDIIRGGIM-CFVMTHIKSA-N 295.810 3.206 50 50 CGGA COc1cc(CBr)cc(CBr)c1 3132401 XXPXGGWQRLEFSK-UHFFFAOYSA-N 293.986 3.485 50 50 CGGA Cc1ccc(S(=O)(=O)Sc2ccccc2)cc1 399339 PAIRPKMSBFJAQB-UHFFFAOYSA-N 264.371 3.476 50 50 CGGA Cc1ccc(C(=O)N/N=C/[C@@H]2C[C@H]3CC[C@H]2C3)cc1 245226151 JDKFVLHYWOKFJO-IRVPXEHOSA-N 256.349 3.147 50 50 CGGA C[C@H](Cl)C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 1875363890 CVSNSQATPADGNN-NWDGAFQWSA-N 280.799 3.091 50 50 CGGA COc1cc(C)c(Cl)cc1C(=O)CBr 2576063 BYBYETVLFBNBBH-UHFFFAOYSA-N 277.545 3.235 50 50 CGGA CC(C)(CCl)C(=O)NCCc1c[nH]c2ccccc12 4092480 FHAAJKKQQWZNGU-UHFFFAOYSA-N 278.783 3.092 50 50 CGGA O=C(Cl)/C=C/c1ccc(OC(F)(F)F)cc1 2567009 CPPPIWVKTNRQFF-ZZXKWVIFSA-N 250.603 3.364 50 50 CGGA COc1cccc([C@H]2C[C@H](N(C)C(=O)[C@H](C)Cl)C2)c1 1875376394 VMDWEGYASQNQOA-DRZSPHRISA-N 281.783 3.027 50 50 CGGA CC(=O)N/N=C/c1ccc(Sc2ccc(C)cc2)o1 459870 CKRRKMZEQGTJKB-OQLLNIDSSA-N 274.345 3.209 50 50 CGGA C/C(=N\NC(=O)CNc1ccc(C)cc1)c1ccc(C)cc1 19912518 DKFVNKBADPZCJS-HMMYKYKNSA-N 295.386 3.256 50 50 CGGA CS[C@@H]1CCCC[C@@H]1NC(=O)NNc1ccc(F)cc1 888093193 SQMDPQKAIQKRRD-QWHCGFSZSA-N 297.399 3.126 50 50 CGGA N#C/C(=C\c1ccc(-c2cccs2)s1)C(=O)O 5716496 VNFXVUGAKPJLJV-SOFGYWHQSA-N 261.327 3.468 50 50 CGGA O=C(CBr)c1csc2ccccc12 158710 CKHWNGWAHFLCTJ-UHFFFAOYSA-N 255.136 3.479 50 50 CGGA in-vitro CCOc1ccc(OC(=O)[C@@H](Br)CC)cc1 32919597 CUDSSKGVJRXWCS-NSHDSACASA-N 287.153 3.164 50 50 CGGA ICCCCc1ccccc1 113847470 LQNMGMMOHCDYPF-UHFFFAOYSA-N 260.118 3.444 50 50 CGGA O=C(CCl)[C@H]1C[C@@H]1c1csc(Br)c1 1857785373 JZMXJEKDYDOHFO-RQJHMYQMSA-N 279.586 3.422 50 50 CGGA C[C@H](Cl)C(=O)N[C@@H](C)c1cc(Cl)cc2c1OCC2 1875366984 BAGWBSHOYZBSIG-YUMQZZPRSA-N 288.174 3.079 50 50 CGGA C[C@@H](Cl)C(=O)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 1875380790 ZXBPJJSZSRESQK-UNQGMJICSA-N 293.794 3.135 50 50 CGGA Cc1cc(C)c(/C=N/NC(=O)C2[C@H]3CCCC[C@H]23)c(C)c1 100050198 MQBFHBCFVHMOLS-KVQWEKGRSA-N 284.403 3.498 50 50 CGGA COC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2[C@H]1Br 254507965 VHRHVTRJERUPBV-LNFKQOIKSA-N 275.186 3.139 50 50 CGGA N#CSCCCOc1ccc(Br)cc1 2880383 BNSQHZDOKRNTDT-UHFFFAOYSA-N 272.167 3.432 50 50 CGGA Br[C@@H]1[C@@H]2CC[C@H]1N(Cc1ccccc1)C2 37263076 IOFSXPYIRVBNDN-JHJVBQTASA-N 266.182 3.044 50 50 CGGA in-vitro CCOP(=O)(CCCCBr)OCC 2559462 LJSFAWDWYVZQBG-UHFFFAOYSA-N 273.107 3.428 50 50 CGGA CC1(C)C[C@@]23CC=CC[C@]2(C1)CS(=O)(=O)[C@@H]3Cl 254757137 AMCLXVINJFAWJQ-WCFLWFBJSA-N 274.813 3.123 50 50 CGGA CCCCc1ccc(NC(=O)CBr)cc1 5707983 IIIQZVLJCUNXJE-UHFFFAOYSA-N 270.170 3.363 50 50 CGGA N#C/C(=C\c1ccc(C#N)cc1)c1nc2ccccc2[nH]1 5068460 NHYFEKFQPKPKMQ-NTEUORMPSA-N 270.295 3.499 50 50 CGGA Cc1c(Cl)cc(C(C)C)c(O)c1CNC(=O)CCl 1431516 IBPKCWXVLZLETN-UHFFFAOYSA-N 290.190 3.332 50 50 CGGA Cc1occc1C(=O)N/N=C/C=C/c1ccc(N(C)C)cc1 2582766 FBUNRXOKEMUEOJ-MFVXBXEFSA-N 297.358 3.083 50 50 CGGA CC(C)(C)OC(=O)NCc1ccc(N=C=S)cc1 57217 FZQIQTXXAATZOS-UHFFFAOYSA-N 264.350 3.446 50 50 CGGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccco2)C2=C1CCCC2 28089 HAQXRHVWHNQNLP-HNNXBMFYSA-N 290.326 3.017 50 50 CGGA N#CC(C#N)=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 98929 HTEXNAVPHOCCEI-UHFFFAOYSA-N 265.228 3.285 50 50 CGGA O=C(CCl)N1N=C(c2ccco2)C[C@@H]1c1ccsc1 253433539 YBJNYXJEAUITTJ-LLVKDONJSA-N 294.763 3.258 50 50 CGGA C[C@H](Cl)C(=O)N1CCOc2c1cccc2C(F)(F)F 1875377811 OFTBEEOKDSEJRS-ZETCQYMHSA-N 293.672 3.058 50 50 CGGA Cc1ccc(C)c(NC(=O)[C@@H](C)Br)c1 41690581 WHNFPBPCGXYEGH-SECBINFHSA-N 256.143 3.025 50 50 CGGA CC(C)(C)OC(=O)NN(CC1CC1)C(=O)OC(C)(C)C 113478072 WYHIDLUJJCKLAH-UHFFFAOYSA-N 286.372 3.073 50 50 CGGA O=C(NNCc1ccc(Cl)cc1)c1ccc(Cl)cc1 2173712 ORQOXAIADLXEOJ-UHFFFAOYSA-N 295.169 3.428 50 50 CGGA C[C@@H](Br)C(=O)c1ccc(Br)cc1 158253 GKALOSTUZMFUQB-ZCFIWIBFSA-N 291.970 3.415 50 50 CGGA O=C(Cc1ccccc1)N[C@H]1CCCC[C@H]1Br 5736342 VPVWTZQGDKHCTB-OLZOCXBDSA-N 296.208 3.051 50 50 CGGA N#CC1=C(S)NC2=C(C(=O)CCC2)[C@H]1Cc1ccccc1 19640828 QYODTWHHTDJJAX-LBPRGKRZSA-N 296.395 3.121 50 50 CGGA N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccnc1 446179 SHCXZSCNCHZNAE-UHFFFAOYSA-N 297.321 3.365 50 50 CGGA CCCc1cc(C(=O)N/N=C/c2ccco2)cs1 2784913 XCXXIZWMLKSTOS-RIYZIHGNSA-N 262.334 3.058 50 50 CGGA CCCC/C(C)=N\NC(=O)[C@H](O)c1ccc(Cl)cc1 4996443 ONABQYQDVFOISI-YDRQLGOLSA-N 282.771 3.056 50 50 CGGA Cl[C@@H]1[C@@H]2[C@H]3[C@H](Cl)[C@H]4[C@@H]5[C@@H]3[C@H]2[C@@H]2[C@@H]1[C@H]1CC[C@@H]4[C@@H]1[C@H]52 254764969 SMHJZFQASXJKMV-ACSOOUHRSA-N 281.226 3.471 50 50 CGGA Fc1cc(F)c(OCCCl)c(Br)c1 2170106 QRNJNYWUYRMEPW-UHFFFAOYSA-N 271.488 3.345 50 50 CGGA CN(C)c1ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc1 139504 UHGAAONHQDUDKJ-JLHYYAGUSA-N 256.349 3.275 50 50 CGGA C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)Cl 38860641 FNMASGAVRZUGCV-ZCFIWIBFSA-N 252.619 3.238 50 50 CGGA CC(C)c1ccccc1NC(=O)CBr 5644739 RWHGNHIAMXBZOM-UHFFFAOYSA-N 256.143 3.143 50 50 CGGA CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(O)cc1 16941018 YKQCDDLJUCRNPX-OZOLYBCPSA-N 280.327 3.211 50 50 CGGA ClCc1ccccc1I 2242623 FTMNWZHKQGKKAU-UHFFFAOYSA-N 252.482 3.030 50 50 CGGA Cc1cc(I)cc(/C=C/C#N)c1 71973595 AQCASFHAHXVWFU-NSCUHMNNSA-N 269.085 3.136 50 50 CGGA in-vitro Cc1ccc(NC(=O)ON=C(Cl)CCl)cc1 239038504 DIJIZQHVRWQDJF-UHFFFAOYSA-N 261.108 3.335 50 50 CGGA C[C@H](NC(=O)CCl)c1cn(C)c2cc(Cl)ccc12 1875367872 VHFHREDSOQEZKV-QMMMGPOBSA-N 285.174 3.248 50 50 CGGA Cc1cc(C)c(C(=O)OCCBr)c(C)c1 3132450 BOZPERNCYXANPW-UHFFFAOYSA-N 271.154 3.164 50 50 CGGA CCc1ccc(NC(=O)[C@H](Br)CC)cc1 32919611 PZTAZKQZSOKENI-LLVKDONJSA-N 270.170 3.361 50 50 CGGA CCOC1=C(C#N)C(=O)C[C@H](c2ccc(C)s2)C1 95117804 CPBJUCIKSKDZAC-JTQLQIEISA-N 261.346 3.317 50 50 CGGA COC(=O)c1cc(CBr)cc(C(F)(F)F)c1 263623132 DXILCBLDPQFLRM-UHFFFAOYSA-N 297.070 3.387 50 50 CGGA Fc1ccc(CBr)cc1Br 54035977 ZRWSODQPUJMFRV-UHFFFAOYSA-N 267.923 3.483 50 50 CGGA in-vitro O=C(CBr)c1cccc(Br)c1 153534 MZBXSQBQPJWECM-UHFFFAOYSA-N 277.943 3.027 50 50 CGGA CC1=C(C#N)C(COCc2ccccc2)C(C#N)=C(C)N1 406052 QLWBNXAMIVMPPP-UHFFFAOYSA-N 279.343 3.018 50 50 CGGA CCCCCC(=O)N/N=C/c1ccc(Br)cc1 2854374 ZFIOQQQVEAQZIU-XNTDXEJSSA-N 297.196 3.480 50 50 CGGA CCOC(=O)c1c(NC(=O)CCCl)sc(C)c1C 2027820 PQAOPSCSFZPNBD-UHFFFAOYSA-N 289.784 3.109 50 50 CGGA Cc1ccc(N(C(=O)CCl)[C@@H](C)C2CC2)cc1 3130676 BXPOEHNHYYSVLZ-NSHDSACASA-N 251.757 3.365 50 50 CGGA N#Cc1c(NC(=O)CCl)sc2c1CCCCCC2 4646721 MAMJKPWFXZFPDS-UHFFFAOYSA-N 282.796 3.456 50 50 CGGA Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c(C)c1 22779574 RDHKOALIKWOSGV-QGZVFWFLSA-N 291.354 3.104 50 50 CGGA O=C(CBr)Nc1ccc(C(F)(F)F)cc1 2567032 FEOPWEWRBFPVKW-UHFFFAOYSA-N 282.059 3.039 50 50 CGGA CC/C(=N\NC(=O)C1[C@@H]2CCCC[C@@H]12)c1ccc(O)cc1 100373654 BZWAQTKHDZAZRU-FTKQKGMFSA-N 286.375 3.059 50 50 CGGA CC(C)[C@@H](Br)C(=O)Nc1ccc(F)cc1 9646715 YWWCPOGUFSNUKU-SNVBAGLBSA-N 274.133 3.184 50 50 CGGA O=C(O)c1ccc(CBr)c2ccccc12 71613958 FPUUDRJMMXKEMP-UHFFFAOYSA-N 265.106 3.433 50 50 CGGA in-vitro CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(OC)cc2)o1 4541767 GYXPRVBSDQAEGW-JLHYYAGUSA-N 297.310 3.425 50 50 CGGA C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(F)cc1 4990355 ZAWYNWKHDASGDP-VCHYOVAHSA-N 274.270 3.119 50 50 CGGA CC/C(=N\NC(=O)c1cccc(F)c1)c1ccccc1 4992165 BLBBRBNAKPOKPG-OBGWFSINSA-N 270.307 3.370 50 50 CGGA C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1O 100290416 ILGFDBLGQSZAHN-KIHYJURLSA-N 294.354 3.036 50 50 CGGA CC[C@@H](Br)C(=O)NCCC1=CCCCC1 32919958 WDHAUNJRETWIML-LLVKDONJSA-N 274.202 3.167 50 50 CGGA C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc(C)o1 220197 HTGBSARXEVHDDN-MHWRWJLKSA-N 276.723 3.395 50 50 CGGA Cc1ccc(NC(=O)C(Cl)Cl)c(Br)c1 442280 GRKURXXFTHOPBN-UHFFFAOYSA-N 296.979 3.500 50 50 CGGA C[C@@](Br)(CBr)c1ccncc1 118579339 QMDGGCNFVAXDKW-MRVPVSSYSA-N 278.975 3.087 50 50 CGGA CC(C)C[C@H](Cl)C(=O)NCc1ccc(F)cc1 263619729 JJXQZGSAFMMOLR-LBPRGKRZSA-N 257.736 3.095 50 50 CGGA O=C(CBr)c1cccc(OC(F)(F)F)c1 2243295 QUKYVVGHLJGVEQ-UHFFFAOYSA-N 283.043 3.163 50 50 CGGA in-vitro C[C@H](Cl)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 1875364166 GYLFITWDWKIICS-GMXVVIOVSA-N 251.757 3.018 50 50 CGGA O=C(NN=C1CCCCC1)c1ccccc1Br 5583675 CTUCSBIKQQPRRB-UHFFFAOYSA-N 295.180 3.499 50 50 CGGA CC(=O)c1ccc(NC(=O)C(C)(C)CCl)cc1 2569403 RFWDCYIKIBSEAP-UHFFFAOYSA-N 253.729 3.093 50 50 CGGA C=CCc1cccc(/C=N/NC(=O)c2cc(C)oc2C)c1O 381511 RPZLSOJQVDCQJN-VCHYOVAHSA-N 298.342 3.094 50 50 CGGA CCCCc1sc(/C=C(/C#N)C(N)=S)cc1[N+](=O)[O-] 12410908 OFUMRSXLKJVQRO-YVMONPNESA-N 295.389 3.192 50 50 CGGA O=C(CBr)c1cc(F)cc(C(F)(F)F)c1 2243365 SQVOBBIFCRMZOB-UHFFFAOYSA-N 285.034 3.422 50 50 CGGA O=C(N/N=C/c1ccc(O)cc1)c1csc2ccccc12 355525 OWNPBRZOWGFAPO-RQZCQDPDSA-N 296.351 3.371 50 50 CGGA O=C(O)[C@@H](Br)Cc1ccc(Cl)cc1Cl 2801641 GGJSXUMCSSBZBK-ZETCQYMHSA-N 297.963 3.384 50 50 CGGA O=C(OCc1ccccc1)N(CCCl)CCCl 4204216 OBBMVFKOKGRDGS-UHFFFAOYSA-N 276.163 3.103 50 50 CGGA in-vitro CCOc1ccccc1/C=N/NC(=O)c1ccc(C)cc1 493659 BOKSAZADXWUEDP-LDADJPATSA-N 282.343 3.158 50 50 CGGA C[C@H](Cl)C(=O)N1CCn2cccc2[C@@H]1c1ccccc1 1875363736 WFRNLXZHFAXHDJ-WFASDCNBSA-N 288.778 3.047 50 50 CGGA Cc1ccc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1 28035 KMSKENHXTDXLMM-MRXNPFEDSA-N 294.354 3.118 50 50 CGGA COc1cc(NC(=O)CCCCl)c(OC)cc1Cl 2141571 BOWRYJXQTBMCRO-UHFFFAOYSA-N 292.162 3.315 50 50 CGGA Cc1ccc(/C(C#N)=C\c2ccc(N3CCOCC3)o2)cc1 4501679 MNGQDDDZOQOAOL-VBKFSLOCSA-N 294.354 3.489 50 50 CGGA CCCCCCCC1C(C#N)=C(N)SC(N)=C1C#N 1836282 HDTXCDLHAUGAIT-UHFFFAOYSA-N 276.409 3.098 50 50 CGGA N#CC(C(=O)Cc1ccccc1)=C1Nc2ccccc2N1 6493958 ZXXLHSOACVXPQI-UHFFFAOYSA-N 275.311 3.071 50 50 CGGA C[C@H](Br)C(=O)Nc1ccc(Cl)cc1 32919992 YUNYBWXZHGUNNQ-LURJTMIESA-N 262.534 3.062 50 50 CGGA O=C(CCl)NC1(c2ccccc2C(F)(F)F)CC1 1875375000 NLWBHQJCRUWAIF-UHFFFAOYSA-N 277.673 3.050 50 50 CGGA CCn1c2ccccc2c2cc(/C=N/NC(C)=O)ccc21 2164275 QOBKJBXLGHIGEL-WOJGMQOQSA-N 279.343 3.284 50 50 CGGA CC[C@@H](NC(=O)CCl)c1ccc(Cl)s1 1319674439 MMPYBJKFZFYWQE-ZCFIWIBFSA-N 252.166 3.208 50 50 CGGA CCCOc1ccc(/C=N/NC(=O)c2ccoc2C)cc1 2226788 ABLOXAPVZQVRSK-GZTJUZNOSA-N 286.331 3.141 50 50 CGGA COc1ccc(CBr)c(Br)c1 39044966 ATTFAYYIRHBGME-UHFFFAOYSA-N 279.959 3.353 50 50 CGGA in-vitro CCCN(CCC)c1ccc(/C=N/NC(=O)OCC)cc1 296697 KECZKTAFVGCQLR-GHRIWEEISA-N 291.395 3.393 50 50 CGGA Cc1ccc(P(=O)(c2ccc(C)cc2)C(C)(C)O)cc1 288990 XDXQVZXPIGTCRS-UHFFFAOYSA-N 288.327 3.346 50 50 CGGA CC[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](CC)[C@@H]2C1 6265719 MBFPHKRTMBYYKX-KYOSRNDESA-N 280.375 3.159 50 50 CGGA O=C(Nc1nccs1)[C@H](Cl)c1ccccc1 20028292 BDBCWILLJCUQQW-SECBINFHSA-N 252.726 3.062 50 50 CGGA O=C(N[C@@H]1CCCC[C@@H]1Br)c1ccccc1 5601621 HPSKMXXYWLYHGW-NWDGAFQWSA-N 282.181 3.123 50 50 CGGA Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c1 5024316 MNPRCCIQLFSPKM-UVTDQMKNSA-N 278.311 3.246 50 50 CGGA COc1ccccc1/C=C/C=N/NC(=O)c1ccccc1 4711208 HIUFKRMATOGHNE-TYUKPDHWSA-N 280.327 3.124 50 50 CGGA CC(C)=CCC/C(C)=C/C=NNC(=O)c1cc(C)n[nH]1 252327546 SNOXICXNXJGBRD-NSFWBEFFSA-N 274.368 3.126 50 50 CGGA CCC[C@H]1CC[C@H]([C@H]2CC=C(B(O)O)CC2)CC1 604220527 ZDOBCKIGBGWTHO-IHRRRGAJSA-N 250.191 3.331 50 50 CGGA CC(C)O[Si](OC(C)C)(OC(C)C)OC(C)C 169806515 ZUEKXCXHTXJYAR-UHFFFAOYSA-N 264.438 3.122 50 50 CGGA CC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccco2)cc1 5613528 DKDJCSZICVCDOG-UKTHLTGXSA-N 280.283 3.028 50 50 CGGA Fc1c(Br)cccc1CBr 49135199 MGVHFTWDCYIBDO-UHFFFAOYSA-N 267.923 3.483 50 50 CGGA in-vitro O=C(CCBr)c1ccc2c(c1)CCC2 57666411 VUQOQAUOKOWPMU-UHFFFAOYSA-N 253.139 3.143 50 50 CGGA in-vitro O=S(=O)(NC1CCCCC1)c1ccc(N=C=S)cc1 19737329 BDUCEZUQSKMLNJ-UHFFFAOYSA-N 296.417 3.032 50 50 CGGA O=C1OCC2=C1C[C@H](Br)c1ccccc1CC2 3053532 UQSKMQBGJCDULU-ZDUSSCGKSA-N 293.160 3.312 50 50 CGGA N#CC(NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)=C(Cl)Cl 1775976203 PIIIRWKCTKAEPV-ZJUUUORDSA-N 299.132 3.216 50 50 CGGA CC(=O)c1ccc(NC(=O)OCCCCl)cc1 238855691 SRBSHZHUWMARPP-UHFFFAOYSA-N 255.701 3.067 50 50 CGGA C[C@@H](Cl)C(=O)N[C@H](C)c1nc(-c2cccnc2)cs1 1875364033 HOEYZRKDZJBLIX-RKDXNWHRSA-N 295.795 3.010 50 50 CGGA Cc1cc(C)c(OCCOCCBr)c(C)c1 2896505 HEGBVJKLPRLSTN-UHFFFAOYSA-N 287.197 3.402 50 50 CGGA Cc1ccc([C@@H](NC(=O)CCl)c2ccccc2)cc1 6277288 FBSSUDJVLXFLLF-INIZCTEOSA-N 273.763 3.439 50 50 CGGA Cc1cc(C)cc(O[C@@H](C)C(=O)NN=CCC(C)C)c1 245391966 SBKBUULMXGOCAV-AWEZNQCLSA-N 276.380 3.219 50 50 CGGA C[C@H](NC(=O)CCl)c1ccc(-c2cccnc2)cc1 1875364242 JYKMMOAUXMVSSK-NSHDSACASA-N 274.751 3.165 50 50 CGGA CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Cl)cc1 1676662 FKGHEJWJKHGUKQ-JTQLQIEISA-N 283.755 3.209 50 50 CGGA CC1(C)C[C@H](Br)[C@H](Br)C1 101081635 BVHSCTGUKJPPPT-OLQVQODUSA-N 255.981 3.333 50 50 CGGA C[Si]1(C)CC[Si](C)(C)N1CCCBr 169808699 BKBUBAVZGMRPAK-UHFFFAOYSA-N 280.358 3.497 50 50 CGGA C/C(=N\NC(=O)Cc1cccs1)c1ccccc1Cl 5620928 KTTNOCWENUPRPM-MHWRWJLKSA-N 292.791 3.484 50 50 CGGA C[C@H](Cl)C(=O)NCc1cc(C(F)(F)F)cs1 1875369700 BUKACYMYRLLBOL-YFKPBYRVSA-N 271.691 3.010 50 50 CGGA CCc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)cc1 2801730 QVFAYSYOCMHZHX-UHFFFAOYSA-N 291.354 3.068 50 50 CGGA CCCCCC(=O)N/N=C(\C)c1ccc(OC)cc1 4953049 CCCYYKHEUDFBAR-FOWTUZBSSA-N 262.353 3.116 50 50 CGGA Cc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)s1 432848 BPKHDVPJNOZUHJ-CAOOACKPSA-N 283.356 3.302 50 50 CGGA CCCN(CCC)S(=O)(=O)c1ccc(N=C=S)cc1 19737318 IWSUGUXJYZFGGX-UHFFFAOYSA-N 298.433 3.232 50 50 CGGA CC(C)(C)OC(=O)Nc1ccc(C(=O)CCl)cc1 95635156 XKUGFBYCRGFMND-UHFFFAOYSA-N 269.728 3.455 50 50 CGGA in-vitro O=C(N/N=C/c1ccccc1Cl)c1cccs1 228123 ROIZMDWPRNVKLI-RIYZIHGNSA-N 264.737 3.165 50 50 CGGA COc1ccccc1[C@@H](NC(=O)[C@H](C)Cl)c1ccco1 1875363837 BIBSIOWPGKIOLS-IINYFYTJSA-N 293.750 3.121 50 50 CGGA C/C(=N\NC(=O)CCc1ccccc1)c1ccc(F)cc1 4989919 VONKHNNUCMFTPZ-CPNJWEJPSA-N 284.334 3.299 50 50 CGGA Cc1occc1C(=O)N/N=C/c1ccc(C(F)(F)F)cc1 232397 USIHFWBDKONNCE-QGMBQPNBSA-N 296.248 3.371 50 50 CGGA N#Cc1c(CBr)cccc1CBr 3130544 NRYGYPYWRPNBLZ-UHFFFAOYSA-N 288.970 3.348 50 50 CGGA BrCC[C@H]1CC[C@H](Nc2ncccn2)CC1 257357899 QRHDYJTZVWAGAR-XYPYZODXSA-N 284.201 3.232 50 50 CGGA O=C(CCl)[C@H]1C[C@H]1c1csc(Br)c1 1857785371 JZMXJEKDYDOHFO-BQBZGAKWSA-N 279.586 3.422 50 50 CGGA CC(C)(C)C(=O)C(C#N)=CNc1ccc([N+](=O)[O-])cc1 2053549708 LTQJFWJELMGNMM-UHFFFAOYSA-N 273.292 3.029 50 50 CGGA CCCC1CCC(c2ccc(C(=O)NN)cc2)CC1 296798 KSKXPKZQHVNUAS-UHFFFAOYSA-N 260.381 3.364 50 50 CGGA O=C(O)[C@H](Br)Cc1cc(Cl)ccc1Cl 2797503 POLFUCFJSKPXDS-SSDOTTSWSA-N 297.963 3.384 50 50 CGGA C/C(=N\NC(=O)c1cccs1)c1cc(C)oc1C 5697637 HTELHULFSSSYKL-NTEUORMPSA-N 262.334 3.112 50 50 CGGA N#Cc1ccc(C(Br)Br)cc1F 97972237 KFSUYWGZBZMQSP-UHFFFAOYSA-N 292.933 3.486 50 50 CGGA C[C@@H]1CCC=C2C(=O)C[C@H]3OOC(C)(C)[C@H]3[C@]21C 70454234 KXGHHSIMRWPVQM-JWFUOXDNSA-N 250.338 3.047 50 50 CGGA biogenic,in-vitro Cl[C@@H]1[C@H]2[C@H]3[C@H]4[C@@H]1[C@H]1CC[C@@H]5[C@@H]1[C@@H]4[C@H]1[C@H]3[C@@H]2[C@H](Cl)[C@@H]15 254764972 SMHJZFQASXJKMV-MGCVNYPNSA-N 281.226 3.471 50 50 CGGA CC1(C)CCC[C@@H]1C(=O)NNc1ccc(F)cc1 274559279 AJDCFCCIPGETMZ-GFCCVEGCSA-N 250.317 3.095 50 50 CGGA BrCC#Cc1ccc(Br)cc1 113988016 XMMNMCDKRSOVAO-UHFFFAOYSA-N 273.955 3.196 50 50 CGGA Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2O)cc1 5024206 JOJBELSWAVTINP-UVTDQMKNSA-N 278.311 3.246 50 50 CGGA O=C(Nc1cccc2c1CCCC2)C(Cl)Cl 4755448 JAXPUMTZNMDLLO-UHFFFAOYSA-N 258.148 3.308 50 50 CGGA CCOc1cc2c(cc1OCC)N(CC)/C(=C\C=O)S2 33308183 HAQVJTVTTFUKOX-VIZOYTHASA-N 293.388 3.456 50 50 CGGA CCc1ccc(/C=N/NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1 6489873 XYWXYOXSGCCDLB-QOSBVPTNSA-N 299.201 3.283 50 50 CGGA CC(C)(C)OC(=O)N[C@H](CCl)c1ccccc1 137205292 WHKTWKHXOIOGAT-LLVKDONJSA-N 255.745 3.491 50 50 CGGA CCO[Si](OCC)(OCC)[C@H]1C[C@H]2C=C[C@H]1C2 195766842 HHKDWDAAEFGBAC-AVGNSLFASA-N 256.418 3.001 50 50 CGGA in-vitro COc1ccc2c(c1)C(c1ccc(F)cc1)=C(C=O)CO2 114813852 NYTCTCIWZUIHON-UHFFFAOYSA-N 284.286 3.228 50 50 CGGA [C-]#[N+][C@H](c1ccccc1)S(=O)(=O)c1ccc(C)cc1 100006691 KIJCBVOPJSHLBI-HNNXBMFYSA-N 271.341 3.387 50 50 CGGA in-vitro O=C(N/N=C/C=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1 1597088 QTVKDQALDDBVFH-FZHIPVGDSA-N 295.298 3.024 50 50 CGGA O=C(CCl)N(CCc1ccco1)Cc1cccs1 1875375834 JSACQCRBJFSMJT-UHFFFAOYSA-N 283.780 3.151 50 50 CGGA CC(C)C[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 297103 OXIXRYKVVVCWTD-SNVBAGLBSA-N 274.364 3.016 50 50 CGGA O=C(N/N=C\c1c[nH]c2ccccc12)C1[C@@H]2CCCC[C@@H]12 100300361 OULDITXIYNXNCL-FSOISEEFSA-N 281.359 3.054 50 50 CGGA CC(C)(C)OC(=O)N[C@@H](CCl)c1ccccc1 137205255 WHKTWKHXOIOGAT-NSHDSACASA-N 255.745 3.491 50 50 CGGA C[C@@H](Cl)C(=O)N1CCC2(CCC(F)(F)CC2)C1 1875368112 QXKJWUKKRLHLSM-SECBINFHSA-N 265.731 3.042 50 50 CGGA N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccccc1Cl 196768 KBIBJHDUEVADKZ-HNNXBMFYSA-N 297.745 3.140 50 50 CGGA CSc1ccc(/C=N/NC(=O)c2ccccc2)cc1 95395 HXVQHSZRQBKHAU-LFIBNONCSA-N 270.357 3.172 50 50 CGGA O=C(CCl)NCCc1csc2ccc(Cl)cc12 1875376616 DCFHNGUVYQXTEI-UHFFFAOYSA-N 288.199 3.452 50 50 CGGA CCCCc1[nH]nc2c1C1(CCCCC1)C(C#N)=C(N)O2 6024390 DFBKVKWXTNQYQR-UHFFFAOYSA-N 286.379 3.040 50 50 CGGA O=C(N/N=C/c1cccnc1)c1ccc(Cl)c(Cl)c1 369511 GWQVBBNLNIMGIR-CAOOACKPSA-N 294.141 3.152 50 50 CGGA Cc1cccc(C(=O)N/N=C\c2cccc(Cl)c2)c1 32650085 DYQNEMZDSCNNTM-YVLHZVERSA-N 272.735 3.412 50 50 CGGA O=C(Nc1ccc2oc(O)nc2c1)C1CCC(Cl)CC1 1263705853 KJGJLNHHZNBNLT-UHFFFAOYSA-N 294.738 3.270 50 50 CGGA CCSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1 8973475 ZZWGIWUBKJWKLW-NSHDSACASA-N 292.791 3.432 50 50 CGGA COc1ccc(Cl)cc1NC(=O)[C@@H](C)Br 34926255 FVGXKHAYCWEYQC-ZCFIWIBFSA-N 292.560 3.071 50 50 CGGA CCN(CC)c1ccc(C(=O)CBr)cc1 163729 ALTMCDJIFXTEPV-UHFFFAOYSA-N 270.170 3.110 50 50 CGGA CC(C)(C)C1=CC(=C(C#N)C#N)[C@@H](C(C)(C)C)C(=O)C1=O 100859826 LNUVQEZKVJKKQG-CYBMUJFWSA-N 284.359 3.117 50 50 CGGA CC(C)=C[C@@H]1[C@@H](C(=O)OCCBr)C1(C)C 1608545 GTNOPRWOXOADHY-ZJUUUORDSA-N 275.186 3.163 50 50 CGGA N#C[C@@H](Br)[C@@H](Br)c1ccccc1 3086287 LBRFOFQHSRWMEB-BDAKNGLRSA-N 288.970 3.410 50 50 CGGA CC[C@@H](Br)C(=O)NCc1ccccc1Cl 32919915 JBIIAYPILKRDLU-SECBINFHSA-N 290.588 3.130 50 50 CGGA O=C(CBr)Nc1cccc(Cl)c1Cl 5816154 YFSBEKSZGIWPPL-UHFFFAOYSA-N 282.952 3.327 50 50 CGGA N#C/C(=C\c1cccc(F)c1)S(=O)(=O)c1ccccc1 621340 ZBCBJGCDTHLMAT-XNTDXEJSSA-N 287.315 3.164 50 50 CGGA O=C(N[C@H]1c2ccccc2[C@H]2CC[C@H]1C2)[C@@H](F)Cl 2325897782 IUXBPAJRYQYQQK-RBJBARPLSA-N 267.731 3.276 50 50 CGGA O=C(CBr)c1ccc(Br)s1 2381177 OZBXRAVUJGCRFN-UHFFFAOYSA-N 283.972 3.088 50 50 CGGA CCN(CCBr)C(=O)OCc1ccccc1 601014283 HBQRIPGMKUDLEY-UHFFFAOYSA-N 286.169 3.040 50 50 CGGA F[C@H](Br)[C@@H](Br)C(F)(F)F 2562449 KNBBSZLIGCLFTQ-NCGGTJAESA-N 273.849 3.003 50 50 CGGA O=C(Nc1ccc(N2CCCCC2)cc1)C(Cl)Cl 1393166 MRYKQSLWKVUBON-UHFFFAOYSA-N 287.190 3.419 50 50 CGGA O=C(Cc1cccc2cccnc12)NNc1ccccc1F 152868359 PRPVLAZGDWNGJA-UHFFFAOYSA-N 295.317 3.060 50 50 CGGA O=C(N/N=C/C=C/c1ccccc1)c1ccccc1 1597091 IBLXLVVKHVGRSI-UVZCHINQSA-N 250.301 3.116 50 50 CGGA C[C@@H]1CCC=C2C(=O)C[C@@H]3OOC(C)(C)[C@H]3[C@@]21C 257469059 KXGHHSIMRWPVQM-JVBMTESESA-N 250.338 3.047 50 50 CGGA biogenic N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccccc1Cl 241611 BVQJOPLEWKEMBY-OAHLLOKOSA-N 298.729 3.264 50 50 CGGA BrCc1ccccc1CBr 1672937 KGKAYWMGPDWLQZ-UHFFFAOYSA-N 263.960 3.476 50 50 CGGA C/C(=N\NC(=O)c1cccc(Cl)c1)c1ccc(N)cc1 4498020 QRSDLQMWWONUTR-VCHYOVAHSA-N 287.750 3.076 50 50 CGGA COC(=O)c1ccc(-c2ccc(CCl)cn2)cc1 3883630 ZLQQSIUJKPYNEW-UHFFFAOYSA-N 261.708 3.274 50 50 CGGA O=P(c1ccccc1)(c1ccccc1)c1ccc(O)cc1 38149250 QFUAZGOBONNJEI-UHFFFAOYSA-N 294.290 3.032 50 50 CGGA FC(F)(F)c1cccc(-c2nc(CCl)no2)c1 165217 INANILNLXTUPHD-UHFFFAOYSA-N 262.618 3.494 50 50 CGGA in-vitro N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(Cl)c(Cl)c1 112113111 UYSHPBVAIHWEIM-YCRREMRBSA-N 289.125 3.160 50 50 CGGA Cc1ccc(/C=C/C(=N/NC(N)=O)c2ccccc2)c(C)c1 243836 HYOFCFJSSVSCEW-BMOGTUHSSA-N 293.370 3.389 50 50 CGGA N#CC(C(=O)NCc1ccco1)=C1CCCCCCC1 6883811 NLDHGYXDDXYEEK-UHFFFAOYSA-N 272.348 3.460 50 50 CGGA BrCc1cc2c(cc1Br)OCO2 1707049 FDCXAYVCUJDBJU-UHFFFAOYSA-N 293.942 3.073 50 50 CGGA CC1=CC[C@]23CCCC[C@@]2(C1)[C@@H](Cl)S(=O)(=O)C3 101045920 UQGLEFDMYZPYIK-RWMBFGLXSA-N 274.813 3.267 50 50 CGGA ClCc1ccc(-n2cc(Br)cn2)cc1 38054501 SHZYJXGNZXQYDX-UHFFFAOYSA-N 271.545 3.374 50 50 CGGA in-vitro S=C=Nc1cnn(Cc2ccc(Br)cc2)c1 2536584 SKWUMNJSCYOVPL-UHFFFAOYSA-N 294.177 3.428 50 50 CGGA CC[C@@H](C)[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 115217 KCBXGLSZWOIDMH-RNCFNFMXSA-N 274.364 3.016 50 50 CGGA Cc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)c(C)c1 2769999 YDDGEXMIOAJSGP-UHFFFAOYSA-N 291.354 3.122 50 50 CGGA CCN(C(=O)[C@@H](C)Br)c1cccc(C)c1 32181104 GZVOTXLLNZDDPZ-SNVBAGLBSA-N 270.170 3.131 50 50 CGGA OC[C@H](Cl)[C@H]1CCCCCCCCCC[C@H]1O 254762571 GVUJCTTYUDBJOS-HZSPNIEDSA-N 262.821 3.478 50 50 CGGA CC1=C(C#N)[C@H](c2ccccc2)C2=C(CCCC2=O)N1 19691112 NCIVOIVRZVJBHG-INIZCTEOSA-N 264.328 3.178 50 50 CGGA C[C@@H](c1ccccc1)[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 115226 MWPYAYQWMTWWTC-ZBEGNZNMSA-N 294.354 3.137 50 50 CGGA O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(F)cc1 263006 SNKOZBXZBBEESH-RQZCQDPDSA-N 276.698 3.243 50 50 CGGA N#C/C(=C\c1ccsc1)S(=O)(=O)c1ccccc1 611603 BFMRSNHWEWLRBI-MDWZMJQESA-N 275.354 3.086 50 50 CGGA CCc1cccc(C)c1N(C(=O)CCl)[C@H](C)COC 1532075 WVQBLGZPHOPPFO-GFCCVEGCSA-N 283.799 3.164 50 50 CGGA biogenic,in-vitro O=C(CCl)Nc1ccc(OC(F)(F)Cl)cc1 88433 LPHQRLINDUDTAY-UHFFFAOYSA-N 270.062 3.032 50 50 CGGA Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@@H](C)Cl)cc1 1875364572 WYPWNFDIIRGGIM-SNPRPXQTSA-N 295.810 3.206 50 50 CGGA C[C@H](Cl)C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 1875380052 CZMSMQIPRUKYJW-HZMBPMFUSA-N 292.741 3.054 50 50 CGGA Cc1cccc(C(=O)N/N=C/c2ccccc2C)c1 261141 VNDAXUYPFZEIEZ-GZTJUZNOSA-N 252.317 3.067 50 50 CGGA CCOC(=O)/C(C#N)=C\c1ccc(N(CC)CC)cc1 139559 JFMVGZQLOXGKFR-KAMYIIQDSA-N 272.348 3.003 50 50 CGGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1cccnc1 167232 YZROOBOULNTKGW-CAOOACKPSA-N 294.141 3.152 50 50 CGGA COc1ccc(Cl)cc1-c1nc(O)cc(CCl)n1 526055872 FUBDFZUPJGWGTH-UHFFFAOYSA-N 285.130 3.250 50 50 CGGA CCC[C@@H]1[C@@H]2C[C@@H](C)CC=C2C(C#N)=C(N)C1(C#N)C#N 19853057 UZVWCYJDXOXVAJ-NJZAAPMLSA-N 280.375 3.159 50 50 CGGA CC1(C)CC(=O)C/C(=N/NC(=O)c2cccc(Cl)c2)C1 100051720 LXEOSJQIAMIMDH-ATVHPVEESA-N 292.766 3.205 50 50 CGGA O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1 111245 ASTICKBBDNPFLV-UHFFFAOYSA-N 294.266 3.362 50 50 CGGA O=C(N/N=C/c1cccnc1)c1cc(Cl)ccc1Cl 40876 OJARACVJFGUERP-CAOOACKPSA-N 294.141 3.152 50 50 CGGA Cc1cc(O)ccc1N/C=C(\C#N)C(=O)C(C)(C)C 5362124 AANFUNSASZCEJI-PKNBQFBNSA-N 258.321 3.135 50 50 CGGA N#CC(NC(=O)/C=C/c1ccc(F)cc1)=C(Cl)Cl 1775977274 XNFLGOWLDCGAED-ZZXKWVIFSA-N 285.105 3.125 50 50 CGGA Fc1cc(N=C=S)c(F)cc1Br 15444484 DZCHDQYIMUERSQ-UHFFFAOYSA-N 250.067 3.462 50 50 CGGA CCO[Si](OCC)(OCC)c1cccc2ccccc12 169818645 ZJEYUFMTCHLQQI-UHFFFAOYSA-N 290.435 3.095 50 50 CGGA N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccc(Cl)cc1 196773 IMNYAEYNWIUTBZ-OAHLLOKOSA-N 297.745 3.140 50 50 CGGA CC[C@H](Br)C(=O)Nc1cc(F)ccc1F 32919963 GYSGKGJEUKIUAZ-ZETCQYMHSA-N 278.096 3.077 50 50 CGGA O=C(COc1ccc(F)cc1)N/N=C/C=C/c1ccccc1 3580644 JGYCNIDDRYLQCT-MZBBQUMVSA-N 298.317 3.020 50 50 CGGA COc1ccc(-c2cc(CBr)on2)cc1 8074999 QDQMLRXNRCWYLG-UHFFFAOYSA-N 268.110 3.245 50 50 CGGA in-vitro Nc1c(Cl)cc(C(=O)CBr)cc1Cl 20230512 ATKJJUFAWYSFID-UHFFFAOYSA-N 282.952 3.153 50 50 CGGA in-vitro CC(C)(C)OC(=O)NCCCCCCBr 12953869 NXQXVXILNVTMNA-UHFFFAOYSA-N 280.206 3.466 50 50 CGGA in-vitro COc1ccc(-c2ccc(C=C(C#N)C#N)o2)cc1 406172 BQKNROCZDQBIFA-UHFFFAOYSA-N 250.257 3.386 50 50 CGGA O=C1OC(=O)[C@@H](c2ccccc2)C[C@@H]1c1ccccc1 100660816 HKHKTBJSXNDPQE-HUUCEWRRSA-N 266.296 3.028 50 50 CGGA O=C1OC(=O)[C@@H](c2ccccc2)C[C@H]1c1ccccc1 100660814 HKHKTBJSXNDPQE-GASCZTMLSA-N 266.296 3.028 50 50 CGGA COC(=O)Nc1ccc(C(=O)Cl)c(Br)c1 261507977 ONIGFNBMQAWFBS-UHFFFAOYSA-N 292.516 3.006 50 50 CGGA Cc1ccc2c(c1F)N(C(=O)[C@@H](C)Cl)CCC2 1875380068 DFYQAQFPTHVNDP-SECBINFHSA-N 255.720 3.041 50 50 CGGA O=C(N[C@H]1c2ccccc2[C@H]2CC[C@H]1C2)[C@H](F)Cl 2325897781 IUXBPAJRYQYQQK-NGERZBJRSA-N 267.731 3.276 50 50 CGGA CC(C)Oc1ccc(CCNC(=O)C2CC(Cl)C2)cc1 585122104 NVXBKJBQDZVNQB-UHFFFAOYSA-N 295.810 3.150 50 50 CGGA Cc1cc(C)cc(P(CCC(=O)O)c2ccccc2)c1 398635 KMMRXGLKNNACLW-UHFFFAOYSA-N 286.311 3.211 50 50 CGGA O=C(Oc1ccc([N+](=O)[O-])cc1)OC1CCCCC1 136184625 NTGDMUVJXIBLHH-UHFFFAOYSA-N 265.265 3.443 50 50 CGGA O=C(N/N=C/c1ccc(Cl)cc1)C1[C@@H]2CCCC[C@@H]12 100309903 ZICXPCYZGYWGFM-SSTXIFODSA-N 276.767 3.226 50 50 CGGA COC(=O)N/N=C(\C)c1ccc(Cl)c(Cl)c1 5282488 ZQMXGUXUENZYOA-AWNIVKPZSA-N 261.108 3.073 50 50 CGGA O=[N+]([O-])c1c(Br)cccc1CBr 202745442 WMJWASKQHNPDBY-UHFFFAOYSA-N 294.930 3.252 50 50 CGGA N#C/C(=C\c1ccc(O)c(O)c1)c1nc2ccccc2[nH]1 4818292 VQDBNQGKHHMTAF-YRNVUSSQSA-N 277.283 3.038 50 50 CGGA CC(=O)N/N=C(\C)c1ccc(-c2ccccc2)cc1 4948956 UEQQYOGUGFHCHV-SFQUDFHCSA-N 252.317 3.214 50 50 CGGA O=C1O[C@H](Br)c2ccc(Br)cc21 145219902 CHJNGDOXAZNOPL-ZETCQYMHSA-N 291.926 3.013 50 50 CGGA CCOc1ccc(/C=N/NC(=O)C2CCCCC2)cc1 511123 XGKBKXFJNPWMAN-SFQUDFHCSA-N 274.364 3.116 50 50 CGGA CC[C@H](C)[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 115224 KCBXGLSZWOIDMH-TVQRCGJNSA-N 274.364 3.016 50 50 CGGA CC[C@@H](Br)C(=O)Nc1ccc(C)cc1C 9095749 YEWGUIAEHMNDOB-SNVBAGLBSA-N 270.170 3.415 50 50 CGGA FC(F)(F)c1ccc(-c2nnc(CCl)o2)cc1 3883443 LQIISDDPQIBWSC-UHFFFAOYSA-N 262.618 3.494 50 50 CGGA O=C(NN=C1c2ccccc2-c2ccccc21)c1cccnc1 295737 WBMDMPDRRDQXAT-UHFFFAOYSA-N 299.333 3.244 50 50 CGGA CC(/C=C/c1ccccc1)=N\NC(=O)Cc1ccccc1 4992158 KWOFKEUQTJWQNF-RUWPHTKCSA-N 278.355 3.435 50 50 CGGA Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Br 36903513 JWQKHKFFXCCSMT-SSDOTTSWSA-N 266.138 3.442 50 50 CGGA O=C(CBr)c1ccc(Br)cc1F 71790217 HDDUJSBRWLHLME-UHFFFAOYSA-N 295.933 3.166 50 50 CGGA in-vitro C[C@H](Cl)C(=O)N(Cc1ccccc1)C1(C#N)CCC1 1875303893 RENUORGHXINSJP-LBPRGKRZSA-N 276.767 3.089 50 50 CGGA N#CC(C(=O)NCc1ccccc1)=C1CCCCC1 408571 FFQQIDMCBJHSQJ-UHFFFAOYSA-N 254.333 3.087 50 50 CGGA CCN(CC)c1cccc(NC(=O)[C@H](C)Cl)c1 2162122 HHGPAQQRGYWABM-JTQLQIEISA-N 254.761 3.099 50 50 CGGA CCc1cccc(C)c1N(C(=O)CCl)[C@@H](C)COC 1532074 WVQBLGZPHOPPFO-LBPRGKRZSA-N 283.799 3.164 50 50 CGGA biogenic,in-vitro N#C/C(=C\c1cccc(O)c1)c1nc2ccccc2[nH]1 4262766 BLFUYBIEEJPBKL-XYOKQWHBSA-N 261.284 3.333 50 50 CGGA CN(Cc1cc(F)cc(C(F)(F)F)c1)C(=O)CCl 1875368161 WAOLSNJLVFBVRT-UHFFFAOYSA-N 283.652 3.042 50 50 CGGA O=C(Cc1ccccc1)N/N=C/c1ccc(Cl)cc1 298545 NUNSARBPIGJTJW-GZTJUZNOSA-N 272.735 3.033 50 50 CGGA COC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1 272240 DINNHRVANSTSLO-FMIVXFBMSA-N 253.257 3.027 50 50 CGGA C=C1CC(C(=O)N/N=C/c2ccc(Cl)cc2Cl)C1 12343622 DVUSBKOHAJTCDJ-FRKPEAEDSA-N 283.158 3.410 50 50 CGGA CCC(CC)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 2860047 CTHFPTFFDIPFQF-UHFFFAOYSA-N 290.407 3.181 50 50 CGGA CC1CCC(N(C[C@H]2CCCO2)C(=O)[C@H](C)Cl)CC1 1875363517 HBNJCHOKBRIWLG-GNRIBBGQSA-N 287.831 3.200 50 50 CGGA COc1ccc2c(c1)C(=O)C(=O)N2CCCCCCCl 2029022 YHAHDITXFJOWFP-UHFFFAOYSA-N 295.766 3.024 50 50 CGGA N#C/C(=C\c1cc2ccccc2nc1Cl)C(N)=S 271510 MXRBHOIFCGCPFI-UXBLZVDNSA-N 273.748 3.081 50 50 CGGA C[C@H](NC(=O)[C@@H](F)Cl)c1ccc(C(F)(F)F)cc1 1875361794 CALCJSAIQUVKKH-IMTBSYHQSA-N 283.652 3.417 50 50 CGGA C[C@@H](Cl)C(=O)N1CC[C@@H](c2cc3ccccc3[nH]2)C1 1875366925 YIYIQCZFFUIMME-ZYHUDNBSSA-N 276.767 3.111 50 50 CGGA Cc1cc(C)c(/C=N/NC(=O)[C@H]2CC23CCC3)c(C)c1 62442 JYKPPEAEPKEMJH-BFERYNQYSA-N 270.376 3.252 50 50 CGGA CC(=O)N1CCCc2c1ccc(CCCl)c2Cl 44127052 ZKYUQIDXQRMDON-UHFFFAOYSA-N 272.175 3.420 50 50 CGGA C=CCOc1ccccc1/C=N/NC(=O)C1CCCCC1 4354600 FHGYJOCCRVRWPB-QGOAFFKASA-N 286.375 3.282 50 50 CGGA CC[C@H](Br)C(=O)c1ccc(OC)cc1 4498406 NYVCAOCEVSDWOB-JTQLQIEISA-N 257.127 3.051 50 50 CGGA O=C(N/N=C/c1ccc(Cl)cc1)c1cccc(F)c1 298635 KGAFLSAFUSROOL-RQZCQDPDSA-N 276.698 3.243 50 50 CGGA C[C@@H](Cl)C(=O)N1CCCc2[nH]c3ccc(F)cc3c2C1 1875376238 PPWQCDMFJWRVDD-SECBINFHSA-N 294.757 3.209 50 50 CGGA O=C(NN=C(c1ccccc1)c1ccccc1)c1ccco1 289296 AHLWFTZMPBQQLM-UHFFFAOYSA-N 290.322 3.462 50 50 CGGA CC1(C)CC(=O)C/C(=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 100315839 NJIUMOBBPJKDDT-CKCVYMDASA-N 298.386 3.042 50 50 CGGA Cc1ccc(C(=O)OC(=O)c2ccc(C)cc2)cc1 86049690 BJMLLSSSTGHJJE-UHFFFAOYSA-N 254.285 3.301 50 50 CGGA in-vitro Cc1cc(C(=O)NNc2cccc3c2CCCC3)ccn1 279400313 HWQQHTDRRFGIEY-UHFFFAOYSA-N 281.359 3.026 50 50 CGGA C/C(=N\NC(=O)c1ccncc1)c1ccc2ccccc2c1 12343266 GLPYSGDNAWRROU-DEDYPNTBSA-N 289.338 3.389 50 50 CGGA CC(C)(C)OC(=O)NN=C1C2CC3CC(C2)CC1C3 6674807 CMZBMSRCANUROB-UHFFFAOYSA-N 264.369 3.323 50 50 CGGA O=C(CCl)c1ccc(Br)c(Cl)c1O 97437880 VMXIJCAKLPMWOF-UHFFFAOYSA-N 283.936 3.230 50 50 CGGA Cc1ccn2c([N+](=O)[O-])c(C(Cl)Cl)nc2c1 100088806 NUDLWDDNCNLMCX-UHFFFAOYSA-N 260.080 3.027 50 50 CGGA in-vitro COC(=O)C1CC(CO[Si](C)(C)C(C)(C)C)C1 1848349945 UGBLCUDMDSXPEP-UHFFFAOYSA-N 258.434 3.207 50 50 CGGA O=C(CCl)NCc1ccc(-c2ccccc2)cc1F 1875377533 GKNVYBYSSVMIFW-UHFFFAOYSA-N 277.726 3.348 50 50 CGGA CC(C)C[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 297101 OXIXRYKVVVCWTD-JTQLQIEISA-N 274.364 3.016 50 50 CGGA CCCCCCCC(=O)NN=Cc1ccc2c(c1)OCO2 252679299 KMSVSLGYGPOVFS-UHFFFAOYSA-N 290.363 3.226 50 50 CGGA Cc1cc(Cl)ccc1NC(=O)C(Cl)Cl 458360 MFVFBZBWOBCHNQ-UHFFFAOYSA-N 252.528 3.391 50 50 CGGA CCCCCS(=O)(=O)c1ccc(N=C=S)cc1 2532489 NQBZGCFURZGTBT-UHFFFAOYSA-N 269.391 3.385 50 50 CGGA N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccc(Cl)cc1 196772 IMNYAEYNWIUTBZ-HNNXBMFYSA-N 297.745 3.140 50 50 CGGA O=C(N/N=C\c1ccccc1F)c1cccc2cc[nH]c12 22589262 VLJMOPKAVCUHAS-GRSHGNNSSA-N 281.290 3.071 50 50 CGGA C[C@@H](Cl)C(=O)Nc1ccccc1-c1nc(C2CC2)no1 1875363979 GPXBHXIFYGRJAK-MRVPVSSYSA-N 291.738 3.180 50 50 CGGA O=C(COc1ccc(Cl)cc1)NN=C1CCCCC1 68629 JDJGYKZYSUMXTB-UHFFFAOYSA-N 280.755 3.155 50 50 CGGA O=C(NN=C1CCCC1)c1ccc(Br)cc1 343046 HOZCFETWENQEGX-UHFFFAOYSA-N 281.153 3.109 50 50 CGGA C[C@H](Br)C(=O)Nc1ccc(F)c(Cl)c1 13944982 LWAFWHFWHPNPCN-YFKPBYRVSA-N 280.524 3.201 50 50 CGGA Cc1ccc([C@@H]2OC3=C(C(=O)CC(C)(C)C3)C(N)=C2C#N)o1 19866008 UFIGLUNGMFLBAE-MRXNPFEDSA-N 298.342 3.039 50 50 CGGA Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)c1 28048 ZDLJFMQNPBZAGX-INIZCTEOSA-N 294.354 3.118 50 50 CGGA NC(=O)NN=C1CCC23CC=CCC2(CC=CC3)CC1 45074612 UDLMTIOQIMBRSR-UHFFFAOYSA-N 273.380 3.258 50 50 CGGA CCC(=O)N/N=C(\C)c1cc2cc(Cl)ccc2o1 221982283 KZSONFUKTRLIMO-OVCLIPMQSA-N 264.712 3.336 50 50 CGGA CC[C@@H](C)NC(=O)/C(C#N)=C/c1c(C)[nH]c2ccccc12 2970972 GMVJMGQOJVJOGT-VSXLWIIGSA-N 281.359 3.298 50 50 CGGA Cc1ccc(C)c(NC(=O)[C@H](C)Br)c1 41690583 WHNFPBPCGXYEGH-VIFPVBQESA-N 256.143 3.025 50 50 CGGA CC(/C=N/NC(=O)c1cc(C2CC2)[nH]n1)=C\c1ccccc1 5665264 VCNDAWOKWJLRSO-SOWMPKKWSA-N 294.358 3.106 50 50 CGGA O=C(Cc1ccccc1)N[C@H]1CCCC[C@@H]1Br 5602821 VPVWTZQGDKHCTB-STQMWFEESA-N 296.208 3.051 50 50 CGGA COc1ccc(OC)c(/C=C(\C#N)c2ccccn2)c1 4547675 MNJDVURWYQMJDB-UKTHLTGXSA-N 266.300 3.163 50 50 CGGA CC/C(=N\NC(N)=O)[C@@H]1C[C@H](C(C)C)CC=C1C 4184349 PHTQOJFYWWOMIB-ZFHNCLSMSA-N 251.374 3.049 50 50 CGGA Cc1ccc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)cc1 34087247 LVMUNUNEYDEARW-RGVLZGJSSA-N 291.354 3.169 50 50 CGGA Cc1cccc(OCCOCCBr)c1C 2896641 HKLBERQKVZQUSN-UHFFFAOYSA-N 273.170 3.094 50 50 CGGA O=C(CCl)N[C@H](Cc1ccccc1)c1ccccc1 2159920 JBFGAYHXKQXCTD-OAHLLOKOSA-N 273.763 3.325 50 50 CGGA Cc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)cc1 356703 MLDNNESUURFYHR-VXLYETTFSA-N 277.327 3.240 50 50 CGGA FC(F)(F)Oc1ccccc1CBr 2560215 TUNSVUOTVLWNQT-UHFFFAOYSA-N 255.033 3.480 50 50 CGGA in-vitro C/C(=N\NC(=O)c1ccccn1)c1cccc2ccccc12 5034698 XYUKSFYVBDBBHD-DEDYPNTBSA-N 289.338 3.389 50 50 CGGA CCC[C@H](C)[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 115437 ZJCLAZOWCPVCCC-IINYFYTJSA-N 288.391 3.406 50 50 CGGA Cc1ccnc(-c2cc(CBr)ccn2)c1 34576939 HUJZHWSADZZJAB-UHFFFAOYSA-N 263.138 3.347 50 50 CGGA CCOP(=O)(/C=C/CBr)OCC 2569994 YTQMZWCJYREOLX-FNORWQNLSA-N 257.064 3.161 50 50 CGGA BrCCOc1cccc(Br)c1 3267886 CKXSBCXRNZGJJN-UHFFFAOYSA-N 279.959 3.223 50 50 CGGA in-vitro O=C(CCl)N[C@H]1CCCc2c(F)cc(Cl)cc21 1875375199 UUSQSPLTWGKLJS-NSHDSACASA-N 276.138 3.212 50 50 CGGA C[C@@H](Cl)C(=O)N1CCOc2c1cccc2C(F)(F)F 1875377810 OFTBEEOKDSEJRS-SSDOTTSWSA-N 293.672 3.058 50 50 CGGA Cc1ccc(CN(C(=O)[C@H](F)Cl)C2CC2)cc1 1875362109 RNUKHQQRPGEMRJ-LBPRGKRZSA-N 255.720 3.020 50 50 CGGA Cc1nn(-c2ccccc2)c2c1C(SC#N)=C(C=O)CC2 2080385539 OQFPZQBSBNWUSG-UHFFFAOYSA-N 295.367 3.251 50 50 CGGA C/C(=N\NC(=O)c1cccc(Cl)c1)c1ccco1 4547083 SDSBIXZBROTQIP-OQLLNIDSSA-N 262.696 3.087 50 50 CGGA CCCCCCCC(=O)NNC(=O)c1ccc(Cl)cc1 2779722 QXCCWYMFMLWKMV-UHFFFAOYSA-N 296.798 3.462 50 50 CGGA N#C/C(=C/c1cccnc1)c1ccc([N+](=O)[O-])cc1 13222058 VPPVBPKDASSWAG-JYRVWZFOSA-N 251.245 3.054 50 50 CGGA CCN(CC)c1ccc(NC(=O)CCl)c(C)c1 85099 DNRKDTYAVVTGIN-UHFFFAOYSA-N 254.761 3.019 50 50 CGGA Cc1cc(C)c2nc(NC(=O)CCl)sc2c1 3276787 KWRIGKBFSMBPDF-UHFFFAOYSA-N 254.742 3.090 50 50 CGGA C[C@@H](Br)C(=O)Nc1ccccc1Cl 4578710 ZFCIPVPEDGFBPL-ZCFIWIBFSA-N 262.534 3.062 50 50 CGGA COc1ccc(/C=C(\C#N)C(=O)c2ccccc2)c(OC)c1 4677123 VSAPGXQMYSMFKJ-XNTDXEJSSA-N 293.322 3.494 50 50 CGGA CC1(C)CC(=O)C/C(=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)C1 100315845 NJIUMOBBPJKDDT-ACNNGQOTSA-N 298.386 3.042 50 50 CGGA Cl[C@H]1CC[C@@H]2CC=C[C@@]12CCC1OCCCO1 71786403 BBUJDCIRTHUXRS-OBJOEFQTSA-N 256.773 3.493 50 50 CGGA O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 4713947 CWCFXHQWDQNOOB-UHFFFAOYSA-N 291.694 3.005 50 50 CGGA Cc1ccc2[nH]c(C)c(CC(=O)N/N=C/c3ccco3)c2c1 4989647 LHHTXXLZZNCCDA-VCHYOVAHSA-N 295.342 3.071 50 50 CGGA CO/N=C/C(C#N)=C/c1ccc(C(F)(F)F)cc1 3046912 ZVXCOGYAHLCAOV-XAOWMYDVSA-N 254.211 3.245 50 50 CGGA C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1cccs1 254869056 YUIIKGPXOPHOPQ-NQFXMWKNSA-N 274.389 3.350 50 50 CGGA Cc1c(NC(=O)CBr)cccc1C(F)(F)F 584904509 NRIXWBGDVRGSAD-UHFFFAOYSA-N 296.086 3.347 50 50 CGGA O=C(CBr)c1c(F)cccc1C(F)(F)F 2243361 DMNJIOWQNVZGTK-UHFFFAOYSA-N 285.034 3.422 50 50 CGGA C[C@H](c1ccccc1)[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 115230 MWPYAYQWMTWWTC-BZNIZROVSA-N 294.354 3.137 50 50 CGGA N#CC(=C\c1cccs1)/C(O)=N/c1nccs1 3245119 WGUFNWHDWQOIHD-SOFGYWHQSA-N 261.331 3.400 50 50 CGGA O=C1c2ccccc2C(=O)N1Cc1ccc(CCl)cc1 39207319 PRLFXMNGWLYTHQ-UHFFFAOYSA-N 285.730 3.222 50 50 CGGA CCCCCC1CCC(c2ccc(B(O)O)cc2)CC1 169846393 JFESOTHKCUMHGA-UHFFFAOYSA-N 274.213 3.221 50 50 CGGA O=C(COc1ccc(Cl)cc1Cl)OCCCl 1692361 GMYRFASSFLNTPN-UHFFFAOYSA-N 283.538 3.154 50 50 CGGA O=C(CBr)c1ccc(C(=O)C(F)(F)F)cc1 259431586 FQZXFFWUMWFTRS-UHFFFAOYSA-N 295.054 3.009 50 50 CGGA O=C(Cl)c1cc(F)cc(Br)c1F 263624769 TZYMCPQQRIAFHP-UHFFFAOYSA-N 255.445 3.106 50 50 CGGA Cc1[nH]nc2c1[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 5125978 ZRBBLPXAZLCFLG-HNNXBMFYSA-N 294.358 3.060 50 50 CGGA CC(C)C[C@@H](Cl)C(=O)NCc1ccc(F)cc1 263619728 JJXQZGSAFMMOLR-GFCCVEGCSA-N 257.736 3.095 50 50 CGGA N#CC(NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)=C(Cl)Cl 1775976202 PIIIRWKCTKAEPV-VHSXEESVSA-N 299.132 3.216 50 50 CGGA O=P(OCC1CC1)(c1ccccc1)c1ccccc1 275482 QNGRWNJDDFYXJF-UHFFFAOYSA-N 272.284 3.342 50 50 CGGA biogenic CC(C)n1nccc1CN(CC1CCCC1)C(=O)CCl 1875376237 PPSRJCXVOCIRCV-UHFFFAOYSA-N 297.830 3.222 50 50 CGGA C[C@H]1CCc2c(sc(NC(=O)CCCl)c2C#N)C1 3269158 QKEWDWLJUJHGPX-QMMMGPOBSA-N 282.796 3.312 50 50 CGGA CC(C)c1cc(/C=C(\C#N)C(N)=O)cc(C(C)C)c1O 33954231 HMLQHJRJKQDTKW-LFYBBSHMSA-N 272.348 3.031 50 50 CGGA CC[C@H](Br)C(=O)Nc1ccc(Cl)cc1 32919698 VMUDHGWIJGIWSI-VIFPVBQESA-N 276.561 3.452 50 50 CGGA O=[N+]([O-])c1cc(-c2noc(CCl)n2)ccc1Cl 12649273 HKXJMFKBDCJXFP-UHFFFAOYSA-N 274.063 3.037 50 50 CGGA in-vitro N#CC1=C(N)OC(c2ccccc2)=C(C#N)[C@H]1c1ccco1 395906 ZRFSIUCIEKOIIM-OAHLLOKOSA-N 289.294 3.022 50 50 CGGA O=C(Cl)c1c(F)cc(Br)cc1F 2506844 PURKKPCKWDOWLC-UHFFFAOYSA-N 255.445 3.106 50 50 CGGA biogenic O=C(Nc1ccc(Br)cc1)OCCCl 1655944 WIWWEOXZPMCYEG-UHFFFAOYSA-N 278.533 3.236 50 50 CGGA CCCO[Si](OCCC)(OCCC)OCCC 169745019 ZQZCOBSUOFHDEE-UHFFFAOYSA-N 264.438 3.128 50 50 CGGA in-vitro O=C1C(Cl)=C(Cl)C(Cl)(Cl)[C@@H]1Cl 2170336 OCLLQGWDUVFOFT-SCSAIBSYSA-N 254.327 3.040 50 50 CGGA CC1=C(C#N)C(c2cccc(O)c2Cl)C(C#N)=C(C)N1 25694936 BMRTZFZYCJSJOD-UHFFFAOYSA-N 285.734 3.328 50 50 CGGA CCOC(=O)c1ccc(Br)cc1CCl 79063960 DRERZFXEVYWSAM-UHFFFAOYSA-N 277.545 3.365 50 50 CGGA CCSC1=C(C#N)[C@@H](c2ccc(C)s2)CC(=O)N1 278840 NUIYXMJAIHXYMY-VIFPVBQESA-N 278.402 3.148 50 50 CGGA Cc1cc(C)c(OCC(=O)N/N=C/c2ccccc2)c(C)c1 301155 IWRMONGJSNDBNK-YBFXNURJSA-N 296.370 3.141 50 50 CGGA C[C@@H](Br)C(=O)Nc1cccc(C(F)(F)F)c1 58863943 NMAQEVYCJBKRDV-ZCFIWIBFSA-N 296.086 3.427 50 50 CGGA Cc1cc2nc(C(Cl)Cl)nc([C@@H]3C[C@H]3C)n2n1 1857800487 ADNSFFGVYZQBAP-IYSWYEEDSA-N 271.151 3.032 50 50 CGGA O=C(CCl)N[C@@H](Cc1ccccc1)c1ccccc1 2159917 JBFGAYHXKQXCTD-HNNXBMFYSA-N 273.763 3.325 50 50 CGGA N#CC1=C(N)SC(N)=C(C#N)C1CCC1CCCCC1 19898080 PYTUPLUCIVGPHL-UHFFFAOYSA-N 288.420 3.098 50 50 CGGA aggregator CC1(C)C[C@]23CC=CC[C@]2(C1)[C@H](Cl)S(=O)(=O)C3 101049561 AMCLXVINJFAWJQ-WXHSDQCUSA-N 274.813 3.123 50 50 CGGA COc1ccc(P(Cl)c2ccc(OC)cc2)cc1 100009655 YTFQUBRFOJIJOZ-UHFFFAOYSA-N 280.691 3.290 50 50 CGGA N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(N)=S 75900 BQLWEGXKUBMVST-JXMROGBWSA-N 299.311 3.048 50 50 CGGA CC(C)(CCl)c1nc(-c2cccc([N+](=O)[O-])c2)no1 38537418 AZOFBWUQAQMFFL-UHFFFAOYSA-N 281.699 3.161 50 50 CGGA in-vitro Cc1ccc(Cl)cc1NC(=O)C(Cl)Cl 442309 AMAODYCABMUHMV-UHFFFAOYSA-N 252.528 3.391 50 50 CGGA S=C=Nc1ccc2nccnc2c1Br 2569828 CRNMXQMOFAYYEX-UHFFFAOYSA-N 266.123 3.127 50 50 CGGA in-vitro O=C(CCl)NC(c1ccccc1)c1ccccc1 3184363 YNIDNLNUYCFFTA-UHFFFAOYSA-N 259.736 3.131 50 50 CGGA in-vitro CCOC(=O)C(C#N)=Cc1cccc(OC(F)(F)F)c1 1857777537 AZHDVDXWRLOFJB-UHFFFAOYSA-N 285.221 3.055 50 50 CGGA O=C(C1CC1)[C@H](Br)c1ccccc1F 38540438 LMCZCCDXOZGIND-SNVBAGLBSA-N 257.102 3.241 50 50 CGGA C[C@@H](Cl)C(=O)N1CC[C@@H]1C1CCC(F)(F)CC1 1875375974 KZVKVPQBTKIZCV-PSASIEDQSA-N 265.731 3.040 50 50 CGGA C/C(=N\NC(=O)c1ccco1)c1ccc(Cl)cc1 4997075 KUVFQHDISJLNHJ-OQLLNIDSSA-N 262.696 3.087 50 50 CGGA O=S1(=O)C[C@]23C=CC=C[C@@]2(CCCCC3)[C@@H]1Cl 101043571 UKXUMNISSSNTOH-AGIUHOORSA-N 272.797 3.043 50 50 CGGA NNC(=O)c1cccc(COc2ccc3ccccc3c2)c1 2549445 JQLMUECEPLBMHY-UHFFFAOYSA-N 292.338 3.022 50 50 CGGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cccs1 245226981 VIWXNMVNVMMHTM-OXUCYRIKSA-N 262.378 3.025 50 50 CGGA Cc1ccccc1C(=O)N/N=C/C=C/c1ccccc1 2831510 YUTKODANVZFEBM-TYUKPDHWSA-N 264.328 3.424 50 50 CGGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C\c1cccs1 252320821 VIWXNMVNVMMHTM-MRYJOHAGSA-N 262.378 3.025 50 50 CGGA N#CC(C#N)=CNc1cccc(OC(F)(F)C(F)F)c1 2504507 HCJDXBNBZUOAMC-UHFFFAOYSA-N 285.200 3.266 50 50 CGGA CCOc1cc(F)c(CBr)c(F)c1 38529893 FLUSMXIXICUDDW-UHFFFAOYSA-N 251.070 3.258 50 50 CGGA in-vitro N#C/C(=C/c1ccc2c(c1)OCO2)c1ccc(C#N)cc1 5027805 VZHZYXKSOJMGSO-CHHVJCJISA-N 274.279 3.351 50 50 CGGA C=C(C(=O)OC)[C@@H](C)CO[Si](C)(C)C(C)(C)C 169834646 NOYSOONZMCCMDR-JTQLQIEISA-N 258.434 3.374 50 50 CGGA O=c1ccc2ccc(OCCCCBr)cc2[nH]1 22053014 MBOHAVAGDOGRBS-UHFFFAOYSA-N 296.164 3.082 50 50 CGGA in-vitro CCOC(=O)/C(C#N)=C/Nc1ccc(Cl)cc1Cl 14796328 FFVOWJRSMIZKQZ-BQYQJAHWSA-N 285.130 3.376 50 50 CGGA FC(F)(F)Oc1ccc(CBr)cc1 153629 JDNPUJCKXLOHOW-UHFFFAOYSA-N 255.033 3.480 50 50 CGGA O=C(N/N=C/c1ccccc1Cl)C(Cl)(Cl)Cl 44126873 YVOZSHCWHBXVES-LHHJGKSTSA-N 299.972 3.160 50 50 CGGA O=P(C[C@@H]1CCCO1)(c1ccccc1)c1ccccc1 446860 COQZULOFUIUMCX-HNNXBMFYSA-N 286.311 3.180 50 50 CGGA CCCCCC(=O)NNC(=O)Nc1cccc(Cl)c1 2748628 DENLKSYVQGGNLI-UHFFFAOYSA-N 283.759 3.073 50 50 CGGA CC(/C=C/c1ccccc1)=N\NC(=O)[C@H]1CC12CCC2 4950202 YRITYNOCYPPIGX-JQTCJMJWSA-N 268.360 3.382 50 50 CGGA CSc1ccc(/C=N/NC(=O)c2ccoc2C)cc1 381469 VHDAXWPDJLMZLL-OQLLNIDSSA-N 274.345 3.074 50 50 CGGA CC(C)OP(=O)(CBr)OC(C)C 2560071 JNONGIUWXHOEEN-UHFFFAOYSA-N 259.080 3.382 50 50 CGGA Oc1nc([C@@H](F)Cl)nc2sc3c(c12)CCCC3 1615055582 HCIKRVXKKJSJOB-MRVPVSSYSA-N 272.732 3.483 50 50 CGGA C[Si](C)(C)C[C@H](Cl)S(=O)(=O)c1ccccc1 169837860 FWXYPHDNPLLARA-LLVKDONJSA-N 276.861 3.363 50 50 CGGA O=C1ON=C(CCl)/C1=C\c1cccc2ccccc12 34926722 PJGVNYJCKSIYRM-MDWZMJQESA-N 271.703 3.375 50 50 CGGA COC(=O)c1cccc(Cl)c1CBr 2599128 BZXFVKQUKUJTIM-UHFFFAOYSA-N 263.518 3.022 50 50 CGGA CC(C)OP(=O)(c1ccccc1)c1ccccc1 275481 WCWHAQFFQWMHFP-UHFFFAOYSA-N 260.273 3.341 50 50 CGGA O=[N+]([O-])c1ccc(OC(F)(F)[C@H](F)Cl)cc1 2170680 SPBBECFWSJDTDU-ZETCQYMHSA-N 255.579 3.101 50 50 CGGA CCOC(=O)c1ccc(Br)c(SC#N)c1 221285517 MWKJXMRYBXYUFB-UHFFFAOYSA-N 286.150 3.199 50 50 CGGA CC(=O)O[C@@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)O1 169834933 YXBPDVPYLRVOJK-RYUDHWBXSA-N 274.433 3.076 50 50 CGGA O=C(NN=C1CCCC1)c1cccc(Br)c1 293553 TWKADILAHISCSE-UHFFFAOYSA-N 281.153 3.109 50 50 CGGA CC(=O)c1ccccc1OC(F)(F)[C@@H](F)Cl 2160029 CVVPWCDQNQSOHO-SECBINFHSA-N 252.619 3.395 50 50 CGGA O=C(Cc1cc2ccccc2[nH]1)N/N=C/[C@@H]1CC=CCC1 431715 MAFHAMKFXJWOPL-RNEAKCBISA-N 281.359 3.169 50 50 CGGA CO[Si](C)(c1ccccc1)c1cccc2ccccc12 169837062 ONLXRILNFHUOGQ-UHFFFAOYSA-N 278.427 3.176 50 50 CGGA N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccncc1 405834 JHLZUOQCSYLILM-QGZVFWFLSA-N 299.333 3.453 50 50 CGGA CC(Nc1ccc(Br)cc1)=C(C#N)C#N 293664 IKLPDQFWPDGHTL-UHFFFAOYSA-N 262.110 3.182 50 50 CGGA Cc1ccc(N(Cc2ccc(C)o2)C(=O)CCl)cn1 1875374729 ZIPJKDIANQWQPU-UHFFFAOYSA-N 278.739 3.063 50 50 CGGA C[Si](C)(C)O[Si](C)(CCCN)O[Si](C)(C)C 170013058 KWQQHTNSJIJFBO-UHFFFAOYSA-N 279.605 3.110 50 50 CGGA N#C/C=C1\[C@@H]2C[C@@H]3/C(=C\C#N)[C@H]4[C@@H]5[C@@H]3[C@H]2[C@@H]2[C@@H]5[C@@H]3[C@H](C=C[C@@H]43)[C@@H]12 257346447 GLRCUDFZDJUISA-LRCZDZKDSA-N 298.389 3.322 50 50 CGGA O=C(CCl)N1CCCSc2cc(Cl)ccc21 1118920721 UEUOOLHNMFPKLU-UHFFFAOYSA-N 276.188 3.408 50 50 CGGA C[C@H](Cl)C(=O)Nc1ccc(C(F)(F)F)cc1 3887329 FPRVGJQLWPFYOU-LURJTMIESA-N 251.635 3.271 50 50 CGGA CC(/C=C/c1ccco1)=N\NC(=O)c1cccc(F)c1 4702464 CMBFXXWKYMZBFL-NXFWIZADSA-N 272.279 3.238 50 50 CGGA COc1ccccc1NC(=O)/C(C#N)=C/c1ccsc1 2743930 WORXZDKRZIOFPJ-XYOKQWHBSA-N 284.340 3.302 50 50 CGGA CC(C)(C)OC(=O)Nc1ccc(CBr)cn1 36056271 JKBGHFXEMZZLFY-UHFFFAOYSA-N 287.157 3.324 50 50 CGGA O=[N+]([O-])c1ccc(-c2csc(CCl)n2)cc1 163138 LEBRGKZHLICZCZ-UHFFFAOYSA-N 254.698 3.457 50 50 CGGA CC1=C(C#N)[C@H](C(C)C)C2=C(CC(C)(C)CC2=O)N1 407593 BOGYSWDVBGOGFV-AWEZNQCLSA-N 258.365 3.303 50 50 CGGA CC(C)n1ncc2ccc(NC(=O)[C@H](C)Cl)cc21 1875363859 BWJSGGCNXHKFOS-VIFPVBQESA-N 265.744 3.183 50 50 CGGA Cc1cccc(Cl)c1NC(=O)[C@@H](C)Br 235077237 IQIUTHVCKHKVKK-SSDOTTSWSA-N 276.561 3.370 50 50 CGGA O=C(Cc1ccccc1)N/N=C/c1ccccc1Cl 298539 MVDMOGDXAHTQEU-GZTJUZNOSA-N 272.735 3.033 50 50 CGGA Cc1ccc2c(c1F)N(C(=O)[C@H](C)Cl)CCC2 1875380069 DFYQAQFPTHVNDP-VIFPVBQESA-N 255.720 3.041 50 50 CGGA C[C@@H](Cl)C(=O)N1CC(C)(C)[C@@H]1c1cccs1 1875376036 MKVKTKGVZUHCQI-SCZZXKLOSA-N 257.786 3.285 50 50 CGGA C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 222517 HFMLIFILTZBGNA-SFQUDFHCSA-N 297.314 3.057 50 50 CGGA CC/C(=N\NC(N)=O)[C@@H]1C[C@@H](C(C)C)CC=C1C 4184354 PHTQOJFYWWOMIB-XUMKSBJFSA-N 251.374 3.049 50 50 CGGA CCOC(=O)/C(C#N)=C/c1cc(Cl)c(O)c(Cl)c1 450754 ZEMLJOAIMWVHCR-FPYGCLRLSA-N 286.114 3.169 50 50 CGGA N#Cc1ccc(F)cc1C(Br)Br 261508068 PKNLXKYSCMYRIS-UHFFFAOYSA-N 292.933 3.486 50 50 CGGA CC(C)(CO[C@@H]1CCCCO1)CO[Si](C)(C)C 169828674 NAEIWZXBCFBOHX-GFCCVEGCSA-N 260.450 3.407 50 50 CGGA O=S1(=O)C[C@]23CCCCC[C@]2(CCCC3)[C@H]1Cl 230114277 DOUPBQQCXWICIO-XQQFMLRXSA-N 276.829 3.491 50 50 CGGA O=C(Cl)c1c(Cl)cccc1Br 2511081 PXDYMOLKOWSZGA-UHFFFAOYSA-N 253.910 3.482 50 50 CGGA in-vitro Cc1ccc(C(=O)C(Br)Br)cc1 100059508 VBOWXHAZNGCXAV-UHFFFAOYSA-N 291.970 3.294 50 50 CGGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccncc1 61599 MCYZXLQRWHJGIT-CAOOACKPSA-N 294.141 3.152 50 50 CGGA C[C@@H]1CCc2c(sc(NC(=O)[C@@H](C)Cl)c2C#N)C1 37389569 DBXAQSNYAHLLSH-HTQZYQBOSA-N 282.796 3.310 50 50 CGGA C[C@H]1CCc2c(C(=O)N/N=C/c3ccoc3)csc2C1 2785277 IMRVLFVBSMJIQM-NPVNMOQSSA-N 288.372 3.230 50 50 CGGA N#C/C(=C/c1ccco1)C(=O)Nc1ccc(Cl)cc1 86319 CODCIORVRRSMEP-NTMALXAHSA-N 272.691 3.479 50 50 CGGA Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)[C@@H](F)Cl)o1 2325898622 OIINTSFVTAKCKR-HLUHBDAQSA-N 273.735 3.422 50 50 CGGA CC(=O)Nc1sc2c(c1SC#N)CCCC2 226184 YOYWYLCOXSMKNU-UHFFFAOYSA-N 252.364 3.158 50 50 CGGA CSc1ccc(/C=N/NC(=O)c2cc(C)oc2C)cc1 381499 LQIIUOLZXOQVCW-CXUHLZMHSA-N 288.372 3.382 50 50 CGGA CC(=O)O[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1 169833945 CXVDLYHQAQWYEV-NWDGAFQWSA-N 256.418 3.268 50 50 CGGA O=C(N/N=C/c1ccc2ccccc2c1)c1ccccc1O 65000 JSZPKHUEXGMRFH-XDHOZWIPSA-N 290.322 3.309 50 50 CGGA CC/C(C)=N/NC(=O)[C@H](C)Sc1ccccc1 4117825 NKZXUUSDVCHXJX-IWQAVIMZSA-N 250.367 3.069 50 50 CGGA CC[C@H](Br)C(=O)Nc1ccc(F)cc1F 9095752 OYEWBAMEKGGKIU-ZETCQYMHSA-N 278.096 3.077 50 50 CGGA O=C(CBr)Nc1cc(Cl)ccc1Cl 1655494 XHGXJQWMLXFCSZ-UHFFFAOYSA-N 282.952 3.327 50 50 CGGA O=C(N/N=C/c1ccncc1)c1ccc(Cl)c(Cl)c1 431433 OZDCVCGKXIANDG-CAOOACKPSA-N 294.141 3.152 50 50 CGGA O=C1c2cccc3cccc(c23)C(=O)N1CCCCl 4557269 CPRJKZMNQLSRAI-UHFFFAOYSA-N 273.719 3.065 50 50 CGGA CCC[C@H](C)c1nnc(NC(=O)C(Cl)Cl)s1 614977 RIXLCNFNANZBKJ-YFKPBYRVSA-N 282.196 3.184 50 50 CGGA Cc1c(F)c(F)c(CBr)c(F)c1F 2585563 JGBVMYAEIPKDQB-UHFFFAOYSA-N 257.024 3.446 50 50 CGGA CC[C@H](Br)C(=O)Nc1ccc(C)cc1C 9095748 YEWGUIAEHMNDOB-JTQLQIEISA-N 270.170 3.415 50 50 CGGA CC[C@H](C)N(Cc1cnn(C(C)(C)C)c1)C(=O)CCl 1875381755 GREJTDIXHPFSBS-NSHDSACASA-N 285.819 3.004 50 50 CGGA CC/C(=N\NC(=O)c1cccs1)c1ccc(C)o1 5523068 RBLLLFDJLGFCAP-GXDHUFHOSA-N 262.334 3.194 50 50 CGGA CCOC(=O)/C(C#N)=C/c1ccc(N(CC)CC)cc1 139557 JFMVGZQLOXGKFR-SDNWHVSQSA-N 272.348 3.003 50 50 CGGA biogenic,in-vitro COc1ccc(C)cc1-c1ccc(/C=C(\C#N)C(=O)O)o1 4541777 AUEBGXHVMRIBEB-DHZHZOJOSA-N 283.283 3.255 50 50 CGGA COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 262621 BXYHQKKRCNCHQO-JLHYYAGUSA-N 296.301 3.380 50 50 CGGA CCOc1ccccc1/C=N/NC(=O)c1ccccc1C 297601 ZZDBSNXUODVIEV-LDADJPATSA-N 282.343 3.158 50 50 CGGA C[C@@H](N)[C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1 103619545 XAHGRENZGHEKOY-OAHLLOKOSA-N 292.342 3.199 50 50 CGGA CCN(Cc1ccc2ccccc2n1)C(=O)[C@@H](C)Cl 1875364354 LVXAFEACPNCBCU-LLVKDONJSA-N 276.767 3.211 50 50 CGGA CC1(C)C[C@H](Br)[C@@H](Br)C1 101081637 BVHSCTGUKJPPPT-WDSKDSINSA-N 255.981 3.333 50 50 CGGA Fc1cc(C(F)(F)F)cnc1CBr 238583861 SQXUGTDYNMTMFL-UHFFFAOYSA-N 258.012 3.134 50 50 CGGA C[C@@H](Cl)C(=O)N(c1cccc(C#N)c1)C1CCC1 1875377792 NOAPVYMLTVATBO-SNVBAGLBSA-N 262.740 3.071 50 50 CGGA CC(C)n1ncc2ccc(NC(=O)[C@@H](C)Cl)cc21 1875363858 BWJSGGCNXHKFOS-SECBINFHSA-N 265.744 3.183 50 50 CGGA CC[C@H](Br)C(=O)Nc1ccc(C(C)=O)cc1 45796289 DVWQBZFNCKLWQU-NSHDSACASA-N 284.153 3.001 50 50 CGGA CC[C@@H](C)[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 115222 KCBXGLSZWOIDMH-NOZJJQNGSA-N 274.364 3.016 50 50 CGGA N#C/C(=C\c1ccsc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 6829112 BEACMBJACQOHQC-YRNVUSSQSA-N 299.311 3.202 50 50 CGGA COc1ccccc1/C(C#N)=C/c1ccc2c(c1)OCO2 401144 WQWFYGZAUPGZJP-MDWZMJQESA-N 279.295 3.488 50 50 CGGA N#CC(NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)=C(Cl)Cl 1775976200 PIIIRWKCTKAEPV-NXEZZACHSA-N 299.132 3.216 50 50 CGGA CCCc1[nH]nc2c1[C@H](C1CCCCC1)C(C#N)=C(N)O2 115378 BJHIENGXIOZVPE-CYBMUJFWSA-N 286.379 3.112 50 50 CGGA C[C@H](Cl)C(=O)N1CCCc2[nH]c3ccc(F)cc3c2C1 1875376239 PPWQCDMFJWRVDD-VIFPVBQESA-N 294.757 3.209 50 50 CGGA N#CC1=C(S)NC2=C(C(=O)CCC2)[C@@H]1Cc1ccccc1 1203510 QYODTWHHTDJJAX-GFCCVEGCSA-N 296.395 3.121 50 50 CGGA O=C(CBr)c1cc(C(F)(F)F)ccc1F 2243364 LQPAQYQHUGXFED-UHFFFAOYSA-N 285.034 3.422 50 50 CGGA CC1=C(C#N)[C@@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 100329998 ILPDBKNHQWMHEL-MRXNPFEDSA-N 293.370 3.209 50 50 CGGA COc1ccc(/C=C(\C#N)C(=O)c2ccoc2)cc1 585079754 HHUNNWLZQISFMX-MDWZMJQESA-N 253.257 3.078 50 50 CGGA O=C(CCl)Nc1ccc(Br)cc1Cl 2530993 CHGAKXUQWOXUKE-UHFFFAOYSA-N 282.952 3.280 50 50 CGGA in-vitro C/C(=N\NC(=O)CC(F)(F)F)c1cccc(Cl)c1 1875253624 FZHKCYTWTKZKTB-FRKPEAEDSA-N 278.661 3.133 50 50 CGGA CC[C@@H](Br)C(=O)Nc1ccc(C)cc1 266521 BAKMANLFAWTIPT-SNVBAGLBSA-N 256.143 3.107 50 50 CGGA N#CC(C#N)=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4587468 KPEBRZXVLUSLJB-UHFFFAOYSA-N 282.303 3.016 50 50 CGGA N#C/C(=C/Nc1ccc(C(=O)O)cc1)c1cccs1 5263577 ZCAUISOUJUFPIO-LUAWRHEFSA-N 270.313 3.423 50 50 CGGA Cc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)c1 28049 ZDLJFMQNPBZAGX-MRXNPFEDSA-N 294.354 3.118 50 50 CGGA CC(C)(C)[Si](C)(C)OCc1cnc(CO)s1 215985814 OAXYVEHXRZFYSC-UHFFFAOYSA-N 259.447 3.157 50 50 CGGA COC(=O)c1ccc(CBr)c(Cl)c1 32914729 XTZCVWDSGCVDFI-UHFFFAOYSA-N 263.518 3.022 50 50 CGGA in-vitro Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1 15223088 GRTBXEPASXQTPH-UVTDQMKNSA-N 278.311 3.246 50 50 CGGA C[C@H](Cl)C(=O)N1CC[C@H]1C1CCC(F)(F)CC1 1875375977 KZVKVPQBTKIZCV-WPRPVWTQSA-N 265.731 3.040 50 50 CGGA COc1ccc(/C(C#N)=C/c2ccc3c(c2)OCO3)cc1 70453 UKKYCZDHIRUDNU-RIYZIHGNSA-N 279.295 3.488 50 50 CGGA CC[C@H](Br)C(=O)Nc1cccc(Cl)c1 5673914 KIBAYTYPNJPQHJ-VIFPVBQESA-N 276.561 3.452 50 50 CGGA O=C(NN=Cc1ccc2c(c1)CCC2)Nc1ccccc1 4582365 GLUJJLUPUXEWFW-UHFFFAOYSA-N 279.343 3.331 50 50 CGGA N#C/C(=C\c1nc2ccccc2[nH]1)c1ccc2c(c1)OCO2 4713260 QFGHVQDMHBYKHZ-XYOKQWHBSA-N 289.294 3.356 50 50 CGGA CCOC(CSSCC(OCC)OCC)OCC 8699943 XJIKEAQNTPCOLU-UHFFFAOYSA-N 298.470 3.166 50 50 CGGA N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cccc(Cl)c1 42162 UNJGGJRBTSRRPN-HNNXBMFYSA-N 298.729 3.264 50 50 CGGA CCCCCC(=O)N/N=C/c1c[nH]c2ccccc12 2676193 TVSMJOQGQLYFLE-GZTJUZNOSA-N 257.337 3.198 50 50 CGGA N#CC(C#N)=Cc1ccc(-c2cccc(C(=O)O)c2)o1 4674855 KKGWKINHJLUJDB-UHFFFAOYSA-N 264.240 3.075 50 50 CGGA COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1 445619 LDVDWZCXMOLSQH-UKTHLTGXSA-N 296.301 3.380 50 50 CGGA CN(C(=S)Cl)c1ccc(Br)cc1 2506711 PIWSHFJSEBRLGL-UHFFFAOYSA-N 264.575 3.409 50 50 CGGA N#C/C(=C/c1ccc([N+](=O)[O-])o1)c1nc2ccccc2[nH]1 4725898 LISLUXJODLGWGJ-CLFYSBASSA-N 280.243 3.128 50 50 CGGA CC(C)COC(=O)/C(C#N)=C/C=C\c1ccccc1 4831634 NLCOIBZBIJHMEO-SYFSHSHVSA-N 255.317 3.349 50 50 CGGA Cc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1 273633 UYSSCFZVENAREB-GZTJUZNOSA-N 252.317 3.067 50 50 CGGA BrCC1CC(OCc2ccccc2)C1 228763994 ODNAZMUIBMSISZ-UHFFFAOYSA-N 255.155 3.377 50 50 CGGA in-vitro O=S(=O)(Sc1ccccc1)c1ccccc1 156081 ATKJLMWDXASAJA-UHFFFAOYSA-N 250.344 3.168 50 50 CGGA in-vitro N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cccc(Cl)c1 42163 UNJGGJRBTSRRPN-OAHLLOKOSA-N 298.729 3.264 50 50 CGGA COc1ccc(C2C(C#N)=C(C)NC(C)=C2C#N)cc1C 25757026 PWHFTWHZBMBPIV-UHFFFAOYSA-N 279.343 3.286 50 50 CGGA FC(F)(F)C[C@@](F)(Cl)CI 71790176 AOHABRULNQCPNK-VKHMYHEASA-N 290.425 3.278 50 50 CGGA C[C@H](Cl)C(=O)N[C@H]1C[C@H](OCc2ccccc2)C1(C)C 718106100 NXDDLOQEKKWAAT-UBHSHLNASA-N 295.810 3.114 50 50 CGGA CC(C)c1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 289047 CVZPXMFVIPYGBF-BRVCPTFNSA-N 298.386 3.012 50 50 CGGA O=C(CBr)c1c(F)cccc1Cl 16125736 UQVVURJTXQEOES-UHFFFAOYSA-N 251.482 3.057 50 50 CGGA in-vitro C[C@@H](Cl)C(=O)N[C@H](C)c1cc(Cl)cc2c1OCC2 1875366981 BAGWBSHOYZBSIG-HTQZYQBOSA-N 288.174 3.079 50 50 CGGA F[C@@H](Br)[C@@H](Br)C(F)(F)F 95682159 KNBBSZLIGCLFTQ-JCYAYHJZSA-N 273.849 3.003 50 50 CGGA CCOC(=O)/C(C#N)=C\c1c(C)c(C)cc(C)c1C 4947444 VLMDCIXNTCMZIR-ZSOIEALJSA-N 257.333 3.390 50 50 CGGA O=C(Cc1ccc(Cl)cc1)N/N=C/Cc1ccccc1 4990039 XSEKMGOIXZIWPX-WOJGMQOQSA-N 286.762 3.227 50 50 CGGA ClCc1cccc(I)c1 85224461 CWGGDQMRBOFYKS-UHFFFAOYSA-N 252.482 3.030 50 50 CGGA in-vitro C[C@H](Cl)C(=O)N1CC(C)(C)[C@@H]1c1cccs1 1875376038 MKVKTKGVZUHCQI-WPRPVWTQSA-N 257.786 3.285 50 50 CGGA CCCC(=O)NNC(=S)Nc1ccc([C@H](C)CC)cc1 6389085 REWPRNBPTPQPFD-LLVKDONJSA-N 293.436 3.318 50 50 CGGA CCOC(=O)/C(C#N)=C/Nc1ccc2ccccc2c1 13627464 JUYZVXWESZLTEV-SDNWHVSQSA-N 266.300 3.222 50 50 CGGA C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)[C@@H](C)Cl)C1 1875364617 ZTMOSNDGYILDOL-BREBYQMCSA-N 269.747 3.363 50 50 CGGA C[C@H]1CCCC/C1=N/NC(=O)CNc1ccc(Cl)cc1 100042161 NULMCPNFRFEGFO-WMEZLHQCSA-N 293.798 3.434 50 50 CGGA O=C(N/N=C/c1ccccc1)c1ccc2ccccc2c1O 6863948 UULFEIYJHALXPU-XDHOZWIPSA-N 290.322 3.309 50 50 CGGA CCn1c(SC/C=C(\C)C#N)nnc1-c1ccco1 1652356150 UJAQJOXXDCOSSP-UXBLZVDNSA-N 274.349 3.120 50 50 CGGA CCCCCCCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 2676166 FLCNHTIKZGPAEI-FOWTUZBSSA-N 291.351 3.405 50 50 CGGA CCCc1ccc(OCC(=O)NN=C2CCCCC2)cc1 4372619 QEOMYZSLLFRIGI-UHFFFAOYSA-N 288.391 3.454 50 50 CGGA FC(F)(F)c1cnc(OCCCl)c(Cl)c1 66323328 YQDGWMUCOSFACN-UHFFFAOYSA-N 260.042 3.371 50 50 CGGA CC(C)c1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 289056 CVZPXMFVIPYGBF-KGZWWPETSA-N 298.386 3.012 50 50 CGGA CCc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1 5686772 SFNKPWXHJUVISW-WOJGMQOQSA-N 298.390 3.034 50 50 CGGA CC1=NC(C#N)=C(C#N)N[C@H](c2c(F)cccc2Cl)C1 1384341 JTHRQQGJOBUXAL-NSHDSACASA-N 288.713 3.233 50 50 CGGA CCO[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OCC 196251389 HOARHIIWXZMCMV-UHFFFAOYSA-N 296.588 3.198 50 50 CGGA O=C(CBr)c1ccc(N2CCCCC2)cc1 16125208 NIGRTNRSRXPCQS-UHFFFAOYSA-N 282.181 3.255 50 50 CGGA in-vitro C[C@H](Cl)C(=O)N1CCC[C@H]1Cc1cccc(F)c1F 1875368207 YQZAVUSIAHPHHT-ONGXEEELSA-N 287.737 3.126 50 50 CGGA CC[C@H](C)[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 6589212 MHGNTTOFBOVPFG-GWCFXTLKSA-N 294.358 3.293 50 50 CGGA Cc1scc(C(=O)N/N=C/c2ccsc2)c1C 373155 SEFLPDGXFQMXCS-WLRTZDKTSA-N 264.375 3.190 50 50 CGGA CCCOP(=O)(c1ccccc1)c1ccccc1 2963826 KPOPYLQJRSZHIK-UHFFFAOYSA-N 260.273 3.342 50 50 CGGA biogenic C[C@@H]1[C@@H]2C[C@H](C(C)(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N 34954622 YWNLJOXMFLFSCZ-BZPMIXESSA-N 294.402 3.405 50 50 CGGA C[C@@H](Cl)C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 1875377251 BBGSDIGUZGESQS-MFKMUULPSA-N 295.814 3.119 50 50 CGGA Cc1[nH]nc2c1[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 5125979 ZRBBLPXAZLCFLG-OAHLLOKOSA-N 294.358 3.060 50 50 CGGA Cc1ccccc1C1CC(N(C(=O)CCl)C2CC2)C1 1875364731 RXOAVXUYVOEPJE-UHFFFAOYSA-N 277.795 3.471 50 50 CGGA CCCCCC[C@@H](Br)C(=O)OCC 2046222 JIQJOKSCSVMZAN-SECBINFHSA-N 251.164 3.283 50 50 CGGA in-vitro O=[N+]([O-])c1ccc(N=C=S)c(Br)c1 15444496 PIROTMQGVQACOG-UHFFFAOYSA-N 259.084 3.092 50 50 CGGA C[C@H](CNC(=O)/C(C#N)=C\c1ccco1)c1ccsc1 221812211 ZARGXDXLALRJDS-NUBYWOLOSA-N 286.356 3.168 50 50 CGGA CC1CCC(N(C[C@H]2CCCO2)C(=O)[C@@H](C)Cl)CC1 1875363516 HBNJCHOKBRIWLG-FKZOYECMSA-N 287.831 3.200 50 50 CGGA CC/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 4977708 URUWLKFDBBMYMF-ICFOKQHNSA-N 297.314 3.139 50 50 CGGA O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccncc1 61593 AGRMOOGEPJRTKY-CAOOACKPSA-N 294.141 3.152 50 50 CGGA CSC1=C(C#N)[C@@H](c2ccccc2Cl)CC(=O)N1 1265700 BQZOMPIVWRTZHO-SECBINFHSA-N 278.764 3.042 50 50 CGGA C/C(=N\NC(=O)c1cccc(Cl)c1)c1cccc(N)c1 12343219 UJZWUNKFMFWIHK-VCHYOVAHSA-N 287.750 3.076 50 50 CGGA COc1ccccc1/C=N/NC(=O)c1csc(C)c1C 1005601 BRZHVHMOQZTUBZ-LZYBPNLTSA-N 288.372 3.137 50 50 CGGA Cn1c(=O)cc(CCl)c2ccc(CCl)cc21 337052 BNUXYAHJOUSQKZ-UHFFFAOYSA-N 256.132 3.016 50 50 CGGA BrCC#Cc1cccc(Br)c1 198949565 FYNUWOYCSWNFEL-UHFFFAOYSA-N 273.955 3.196 50 50 CGGA C[C@@H]1Oc2ccccc2C=C1/C=N/NC(=O)c1ccccc1 501530 IXCVBMIORIGEMC-HCZVKUGISA-N 292.338 3.267 50 50 CGGA CC(C)(C)OC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 4193277 BWKVQMMUNNLFJJ-UHFFFAOYSA-N 292.379 3.154 50 50 CGGA NNC(=O)c1cc(-c2cccc(Cl)c2)nc2ccccc12 6342189 BZNLYGXWLDNERS-UHFFFAOYSA-N 297.745 3.159 50 50 CGGA C/C(=N\NC(=O)c1cc(C(C)(C)C)n[nH]1)c1ccc(C)cc1 5687216 AQBFDYPPQJWGEB-LDADJPATSA-N 298.390 3.170 50 50 CGGA CCOC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1O 210426 SYJXHPDZELOUCO-FPYGCLRLSA-N 286.114 3.169 50 50 CGGA CNC(=O)/C(C#N)=C/c1cccc(Oc2ccccc2)c1 732102 PYDDQJWBQKITBS-GXDHUFHOSA-N 278.311 3.132 50 50 CGGA N#C/C(=C/c1ccc(N2CCOCC2)o1)c1ccc(F)cc1 4503525 QFHYPLYEWVVEAQ-KAMYIIQDSA-N 298.317 3.319 50 50 CGGA Cc1ccc(C[C@@H](NC(=O)CCl)c2ccccn2)cc1 1116437548 GWDVUOWQVGSXOD-OAHLLOKOSA-N 288.778 3.029 50 50 CGGA O=C(Cl)c1ccc(Br)cc1Cl 34595724 IHYXATIWDIHXAA-UHFFFAOYSA-N 253.910 3.482 50 50 CGGA C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(Cl)s1 4948923 WHLLVNFEOCTUEW-OVCLIPMQSA-N 294.763 3.261 50 50 CGGA CC(C)OCP(=O)(c1ccccc1)c1ccccc1 1233433 RMLOEWMNDFIZFR-UHFFFAOYSA-N 274.300 3.383 50 50 CGGA CCOC(=O)c1cc(C(C)C)sc1NC(=O)CCl 3267948 JYUINWWMPWHPAB-UHFFFAOYSA-N 289.784 3.226 50 50 CGGA O=C(CCl)N1[C@@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]21 253369789 ICPONQHEZXXYOA-FDYHWXHSSA-N 255.789 3.185 50 50 CGGA C/C=C1\C[C@H](CO[Si](C)(C)C(C)(C)C)OC1=O 169829912 ROEKRKZGZFWORT-PFEDMVJOSA-N 256.418 3.270 50 50 CGGA Cc1[nH]c2ccccc2c1/C=N\NC(=O)C1[C@@H]2CCCC[C@@H]12 100050604 HLFBRTPUFOHYPN-FSOISEEFSA-N 295.386 3.363 50 50 CGGA ClCc1nc(Cc2ccc(Br)cc2)no1 36925356 PTQMLDMLSLOTEH-UHFFFAOYSA-N 287.544 3.162 50 50 CGGA CC(=O)/C=C\P(=O)(c1ccccc1)c1ccccc1 106454202 AYPKNAOQACTZGQ-SEYXRHQNSA-N 270.268 3.103 50 50 CGGA C[C@H](Cl)C(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 1875364191 JMXKDAJZHNQJST-SMDDNHRTSA-N 280.799 3.043 50 50 CGGA COC(=O)c1ccc(N2CCC(CCCl)CC2)cc1 584598206 IGTIECNRJMVQEA-UHFFFAOYSA-N 281.783 3.319 50 50 CGGA N#CC1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1cccnc1 207247 QRROZYHGCJIAJU-QGZVFWFLSA-N 299.333 3.453 50 50 CGGA CC(=O)N1CCc2c1ccc(CCCl)c2Cl 44127048 VLOKVWALFUWLCF-UHFFFAOYSA-N 258.148 3.030 50 50 CGGA CC(/C=N/NC(=O)Cc1cccs1)=C\c1ccco1 13382295 VYBFJJVNLXJOHE-APWRIFTPSA-N 274.345 3.089 50 50 CGGA Cc1ccc2cc(NC(=O)[C@H](C)Br)ccc2n1 3160088 JUNGXTOXSAAIKU-VIFPVBQESA-N 293.164 3.265 50 50 CGGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCCCC1 4006041 WUJPBERUSRKLCV-UHFFFAOYSA-N 286.375 3.304 50 50 CGGA O=C(CBr)c1cc(F)ccc1Cl 16158424 DWFUBQLHRFJIEJ-UHFFFAOYSA-N 251.482 3.057 50 50 CGGA O=C(COc1ccc(Cl)cc1)N/N=C/C1CCCCC1 4997264 HXKIWAYLFDJNQH-LICLKQGHSA-N 294.782 3.401 50 50 CGGA COc1ccc(OCCCCBr)cc1 2571601 XNMUBVHIMDDDNF-UHFFFAOYSA-N 259.143 3.249 50 50 CGGA O=C(N/N=C/c1ccccc1Cl)C1CCCCC1 510997 DHZPIVZNSOISQO-MHWRWJLKSA-N 264.756 3.370 50 50 CGGA CC/C(C)=N/NC(=O)[C@@H](C)Sc1ccccc1 4117824 NKZXUUSDVCHXJX-ZTMOJVSCSA-N 250.367 3.069 50 50 CGGA N#CC(NC(=O)[C@H]1C[C@H]1c1cccc(F)c1)=C(Cl)Cl 1775975362 HVPCIHAWBSRUHO-UWVGGRQHSA-N 299.132 3.216 50 50 CGGA Cc1occc1C(=O)N/N=C/c1ccc(C(C)C)cc1 228227 FMGOKOSGOXZDPS-LICLKQGHSA-N 270.332 3.475 50 50 CGGA Cc1ccc2nc(NC(=O)[C@H](C)Cl)sc2c1 12016226 HYLQWPDMMNYPNQ-ZETCQYMHSA-N 254.742 3.171 50 50 CGGA CCOc1ccc(NC(=O)[C@H](Br)CC)cc1 266481 WUTMQQXLKSVBMQ-LLVKDONJSA-N 286.169 3.197 50 50 CGGA Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCl 287016 CCDQWKGFAZYRLI-CYBMUJFWSA-N 276.767 3.209 50 50 CGGA C/C(=N\NC(=O)c1cc(C)n[nH]1)c1ccc2ccccc2c1 244436 CJOFEYQANQABRV-XDHOZWIPSA-N 292.342 3.025 50 50 CGGA O=C(CCl)Nc1ccccc1OCc1ccccc1 309861936 DMLGQJBUHGFNKQ-UHFFFAOYSA-N 275.735 3.443 50 50 CGGA Cc1cc(C(=O)CBr)c(F)cc1Cl 168357 UJBGPTKBKJYQQH-UHFFFAOYSA-N 265.509 3.365 50 50 CGGA in-vitro CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 447617 IWGCPUGPHYYYTR-RQZCQDPDSA-N 289.766 3.218 50 50 CGGA CCOC(=O)[C@@H](Br)c1cccc(Cl)c1 15443615 WEQPTHXMNMLSLW-VIFPVBQESA-N 277.545 3.339 50 50 CGGA O=C(Nc1cccc(Br)c1)OCCCl 243057402 IIKCRHUVYQTOJD-UHFFFAOYSA-N 278.533 3.236 50 50 CGGA Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@H](C)Cl)cc1 1875364571 WYPWNFDIIRGGIM-QEJZJMRPSA-N 295.810 3.206 50 50 CGGA COc1ccc(Cl)cc1C(=O)NNc1ccccc1 332439 BUYICIXJIULEMY-UHFFFAOYSA-N 276.723 3.106 50 50 CGGA CCOc1ccc(OC(=O)[C@H](Br)CC)cc1 32919599 CUDSSKGVJRXWCS-LLVKDONJSA-N 287.153 3.164 50 50 CGGA C[C@H](Br)C(C)(Br)Br 72099279 JDWNTZIECWWBAO-VKHMYHEASA-N 294.812 3.276 50 50 CGGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1 77598 BMQWMSINEVVGNC-AWEZNQCLSA-N 288.734 3.011 50 50 CGGA O=S1(=O)C[C@]23CCCCC[C@@]2(CCCC3)[C@@H]1Cl 101043576 DOUPBQQCXWICIO-JHJVBQTASA-N 276.829 3.491 50 50 CGGA F[C@H](C(F)(F)F)C(F)(F)OC(Cl)Cl 95676604 GZJFDMGJHHVNAC-PVQJCKRUSA-N 250.953 3.257 50 50 CGGA C[C@H](Br)C(=O)Nc1ccc(F)cc1Cl 235448382 DNVJNLBQZDSGMS-YFKPBYRVSA-N 280.524 3.201 50 50 CGGA COc1ccc2cc(C(=O)CBr)ccc2c1 3650194 HHHKEQGAGUAOQI-UHFFFAOYSA-N 279.133 3.426 50 50 CGGA in-vitro CC[C@@H](C)N(Cc1cnn(C(C)(C)C)c1)C(=O)CCl 1875381754 GREJTDIXHPFSBS-LLVKDONJSA-N 285.819 3.004 50 50 CGGA CC[C@H](C)[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 6589214 MHGNTTOFBOVPFG-GXFFZTMASA-N 294.358 3.293 50 50 CGGA Br[C@@H]1C=C[C@H]2C=C[C@H]1C=C[C@@H]2Br 104278839 WYGQQLFFWLHGPJ-FIRGSJFUSA-N 289.998 3.442 50 50 CGGA CC[C@@H](Br)C(=O)N(CC)c1ccccc1 32919736 DZUHMVCIFVWFLH-LLVKDONJSA-N 270.170 3.213 50 50 CGGA CC(=O)O[C@@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)C1 169836980 CXVDLYHQAQWYEV-NEPJUHHUSA-N 256.418 3.268 50 50 CGGA CC[C@H](Br)C(=O)Nc1ccc(C)cc1 266518 BAKMANLFAWTIPT-JTQLQIEISA-N 256.143 3.107 50 50 CGGA CC(C)(C)OC(=O)N1CCC[C@@]1(C#N)CCCCl 138951911 FZLLKOINPCAUIK-CYBMUJFWSA-N 272.776 3.299 50 50 CGGA N#CC(C#N)=C1C=C(N2CCCCC2)c2ccccc21 685944414 IYXKRGUYQUQJIZ-UHFFFAOYSA-N 261.328 3.328 50 50 CGGA N#C/C(=C\c1cccs1)c1nc(O)c2ccccc2n1 16995532 MGZTXMKFIGMADG-CSKARUKUSA-N 279.324 3.461 50 50 CGGA Cc1occc1C(=O)N/N=C/c1c(O)ccc2ccccc12 249448 MOZULBXKFAYUIT-VCHYOVAHSA-N 294.310 3.211 50 50 CGGA COC(=O)/C(C#N)=C/c1ccc(-c2ccc(C)cc2)o1 6215126 WYQJMOPEDLVWKO-UKTHLTGXSA-N 267.284 3.335 50 50 CGGA ClCc1nc(-c2ccc(Br)cc2)no1 8730563 QBGZOSPLOUPRQG-UHFFFAOYSA-N 273.517 3.238 50 50 CGGA in-vitro CC(C)c1cccc(NC(=O)CBr)c1 82506169 SWVMKCZOUWHJAG-UHFFFAOYSA-N 256.143 3.143 50 50 CGGA O=C1O[C@@H](Br)c2ccc(Br)cc21 145220115 CHJNGDOXAZNOPL-SSDOTTSWSA-N 291.926 3.013 50 50 CGGA Cc1cc(C(=O)N/N=C/c2ccccc2)c2ccccc2n1 254420 HVSBXDXRBDWFBS-XDHOZWIPSA-N 289.338 3.307 50 50 CGGA C[C@H](Cl)C(=O)N[C@H](C)c1nc(-c2cccnc2)cs1 1875364021 HOEYZRKDZJBLIX-DTWKUNHWSA-N 295.795 3.010 50 50 CGGA Cc1ccc(N/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1 4711818 KGWNDNYWWSDMQJ-FOWTUZBSSA-N 298.367 3.246 50 50 CGGA C=C(Cl)CN(C(=O)CCl)[C@@H]1CCc2ccccc21 1875363494 FENZOYAGHFLANE-CYBMUJFWSA-N 284.186 3.494 50 50 CGGA CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 447660 OPRFYTHSYGYJFR-RQZCQDPDSA-N 289.766 3.218 50 50 CGGA O=C(CCl)N[C@@H]1CCC[C@H]1CCc1ccccc1 1875379272 PCJDBWGBEGQUIA-UONOGXRCSA-N 265.784 3.143 50 50 CGGA C[C@@H](c1ccccc1F)N(C(=O)CCl)C1CC1 1875362962 QUZVRYWOEOJASF-VIFPVBQESA-N 255.720 3.117 50 50 CGGA CCO/C=C/[C@@](C#N)(O[Si](C)(C)C)C(F)(F)F 195850117 ZLRCLCKLPGWFAY-UCUJLANTSA-N 267.323 3.213 50 50 CGGA CCc1c(C(=O)N/N=C/c2cccs2)csc1C 373866 JOXDMIZVGCATKQ-VGOFMYFVSA-N 278.402 3.444 50 50 CGGA F[C@H](Br)[C@H](Br)C(F)(F)F 95682160 KNBBSZLIGCLFTQ-LWMBPPNESA-N 273.849 3.003 50 50 CGGA C[C@H](Cc1cccc(OC2CCCC2)c1)NC(=O)CCl 1875364259 KBHGNMPOCGRLAM-GFCCVEGCSA-N 295.810 3.294 50 50 CGGA O=C(N/N=C/[C@@H]1CC=CCC1)[C@@H]1C[C@H]1c1ccccc1 245227975 UOAUDCHYSWQHCD-DTAVKGQISA-N 268.360 3.248 50 50 CGGA Cc1cccc(NC(=O)ON=C(Cl)CCl)c1 252327553 ZMODQGOTOBSTQO-UHFFFAOYSA-N 261.108 3.335 50 50 CGGA C[C@H](Cl)C(=O)Nc1ccccc1C(F)(F)F 12504894 LPZWGHVAKVEFNN-LURJTMIESA-N 251.635 3.271 50 50 CGGA Fc1c(Br)ccc(N=C=S)c1F 15444575 NVMLTPSSTQHADF-UHFFFAOYSA-N 250.067 3.462 50 50 CGGA C/C=C1\C[C@@H](CO[Si](C)(C)C(C)(C)C)OC1=O 169829914 ROEKRKZGZFWORT-HUYFXPKMSA-N 256.418 3.270 50 50 CGGA C[C@@H](Cl)C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 1875380054 CZMSMQIPRUKYJW-QMTHXVAHSA-N 292.741 3.054 50 50 CGGA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)OCCCl 4774978 SHQBPTLHLKKABS-UHFFFAOYSA-N 279.079 3.036 50 50 CGGA CC(C)c1cc(C(=O)N/N=C/c2ccoc2)cs1 373979 AQMZCJVCUCDRSJ-MKMNVTDBSA-N 262.334 3.228 50 50 CGGA CCCC1(CCC)[C@@H](CC)[C@@H]1/C(C)=N/NC(N)=O 271020 KLGBWJHOHXLSPX-ATARQRRYSA-N 253.390 3.273 50 50 CGGA CSC1=C(C#N)[C@H](c2ccc(C)o2)C(C(C)=O)=C(C)N1 2860668 WSQPWRPVIBEANQ-CQSZACIVSA-N 288.372 3.236 50 50 CGGA Cc1nc2cccc(C(=O)Oc3ccc([N+](=O)[O-])cc3)c2o1 1430621 NMWOSFNOWVGNLP-UHFFFAOYSA-N 298.254 3.264 50 50 CGGA CCOC(=O)c1sc(N=C=S)c(C(=O)OCC)c1C 19737289 DLEAQPYSIISVIY-UHFFFAOYSA-N 299.373 3.144 50 50 CGGA S=C=Nc1ccc(I)cc1 164196 SNLGBRZZFRSXHA-UHFFFAOYSA-N 261.087 3.026 50 50 CGGA O=C(CCCNc1ccccc1)N/N=C/c1cccs1 2996113 LUQQXCOFOBWGIV-SFQUDFHCSA-N 287.388 3.091 50 50 CGGA CC(C)(C)NNC(=O)c1ccc(Cl)c(Cl)c1 4793559 OMCZZWNGLKLBCH-UHFFFAOYSA-N 261.152 3.026 50 50 CGGA CCCc1cc(C(=O)N/N=C/c2ccoc2)cs1 2784879 COGWNVCMBBUARU-VGOFMYFVSA-N 262.334 3.058 50 50 CGGA N#CC1=C(c2ccccc2)[C@@H](c2ccccc2)OC1=O 282160 UFEWTCZSYOHNEJ-MRXNPFEDSA-N 261.280 3.262 50 50 CGGA CC(C)(C)c1ccc(NC(=O)NCCCl)cc1 1539879 LZYHJNCQMJNPKL-UHFFFAOYSA-N 254.761 3.344 50 50 CGGA in-vitro CC(C)(C)[Si](C)(C)OC1(CC=O)CCOCC1 584879995 DRXMOKNEPVPURM-UHFFFAOYSA-N 258.434 3.146 50 50 CGGA N#CC(C#N)=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 256485 IFNFHCVZEGGOFO-UHFFFAOYSA-N 265.228 3.285 50 50 CGGA C#Cc1cccc(N(Cc2ccco2)C(=O)CCl)c1 1320465802 MLXSISCUPZNCIQ-UHFFFAOYSA-N 273.719 3.033 50 50 CGGA CC(C)Cc1ccc(C[C@@H](Br)C(=O)O)cc1 5613930 ZNXYHTDHSYBLHE-GFCCVEGCSA-N 285.181 3.276 50 50 CGGA O=C(Nc1c(F)cccc1F)N1CCSSCC1 952874678 XOARMYUSNKVSEO-UHFFFAOYSA-N 290.360 3.194 50 50 CGGA Cc1ccc(C(=O)N/N=C/C=C/c2ccccc2)cc1 1956156 LQKBGSNJYPDOFB-XKKIXLAPSA-N 264.328 3.424 50 50 CGGA CCc1cccc(NC(=O)[C@H](Br)CC)c1 32919919 BGHIPYYCDXBKPA-LLVKDONJSA-N 270.170 3.361 50 50 CGGA C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccc1O 17023463 ILGFDBLGQSZAHN-JSUXISIESA-N 294.354 3.036 50 50 CGGA CSC1=C(C#N)[C@H](c2ccccc2)C(C(C)=O)=C(C)N1 3902820 JFSDHMISHAZGDL-HNNXBMFYSA-N 284.384 3.335 50 50 CGGA OC[C@H](O)COc1ccc(S(F)(F)(F)(F)F)cc1 108741699 OOHRSRMBQSIGLR-ZETCQYMHSA-N 294.241 3.076 50 50 CGGA CC(CC(C)C)=NNC(=O)c1ccc(Cl)cc1O 584904312 MYJSPAWHPVBTMQ-UHFFFAOYSA-N 268.744 3.197 50 50 CGGA C/C(=N/NC(=O)c1ccc(O)cc1)c1ccccc1Cl 299171 HBRQDOWIPZTGBP-YVLHZVERSA-N 288.734 3.200 50 50 CGGA O=C1CCc2ccc(OCCCCBr)cc2N1 15919788 URHLNHVYMNBPEO-UHFFFAOYSA-N 298.180 3.125 50 50 CGGA in-vitro Cc1occc1C(=O)N/N=C/c1ccc(Cl)cc1 228232 DILCVDMQTRZQLC-OVCLIPMQSA-N 262.696 3.005 50 50 CGGA ICCCc1cccs1 139521964 LXNKVDHVPNGONF-UHFFFAOYSA-N 252.120 3.116 50 50 CGGA Cc1ccccc1C[C@@H]1CCCN1C(=O)[C@@H](C)Cl 1875364521 NNMDMAXSSNPHCD-OCCSQVGLSA-N 265.784 3.156 50 50 CGGA CCN(CC)c1ccc(/C=N\NC(=O)c2ccoc2C)cc1 33296347 VIZYZRLCTHYIJW-PDGQHHTCSA-N 299.374 3.198 50 50 CGGA C[C@@H](Cl)C(=O)NCC1(c2c(F)cccc2F)CCC1 1875375818 JEDNYSQBSIBURF-SECBINFHSA-N 287.737 3.130 50 50 CGGA C[C@H](Cl)C(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 1875364189 JMXKDAJZHNQJST-FZMZJTMJSA-N 280.799 3.043 50 50 CGGA C[C@@H](Cl)C(=O)N1CC[C@H]1C1CCC(F)(F)CC1 1875375975 KZVKVPQBTKIZCV-SCZZXKLOSA-N 265.731 3.040 50 50 CGGA Cc1cccc2sc(NC(=O)C(Cl)Cl)nc12 2865414 URPXJUQNNKTVOY-UHFFFAOYSA-N 275.160 3.347 50 50 CGGA O=C(CCCNc1ccccc1)N/N=C/c1ccccc1 3154001 MOAMBCFPEWGFGK-XMHGGMMESA-N 281.359 3.029 50 50 CGGA Cc1cccc(CN(CCCF)C(=O)CCl)c1F 1875374175 DJXZWGUDEQXVNR-UHFFFAOYSA-N 275.726 3.061 50 50 CGGA C[C@H](Cn1ccnc1C=O)O[Si](C)(C)C(C)(C)C 217048579 BLBAHRIMKXQSAO-LLVKDONJSA-N 268.433 3.106 50 50 CGGA F[C@H](CCBr)C(F)(F)Br 2525255 UNPJUIZHZWFYLY-GSVOUGTGSA-N 269.886 3.097 50 50 CGGA in-vitro C[C@H](Cl)C(=O)N1CCn2c(cc3c(Cl)cccc32)C1 1875380575 SMBJIGADXMLLMP-VIFPVBQESA-N 297.185 3.264 50 50 CGGA CC(C)C[C@@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 34954478 ZVVCSBTWLDMAIV-UKRRQHHQSA-N 280.375 3.159 50 50 CGGA C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1O 5123941 ILGFDBLGQSZAHN-LNKBOXHWSA-N 294.354 3.036 50 50 CGGA O=C(Nc1ccc2c(c1)OCO2)[C@@H](Cl)c1ccccc1 36719891 CJKPHZOORSQRPB-AWEZNQCLSA-N 289.718 3.334 50 50 CGGA CCO/C=C/[C@](C#N)(O[Si](C)(C)C)C(F)(F)F 195850113 ZLRCLCKLPGWFAY-XCODYQFDSA-N 267.323 3.213 50 50 CGGA Cc1cc(=O)oc2c(C)c(OC(=O)CCCCl)ccc12 2028832 PQUQLMCPOSLZCR-UHFFFAOYSA-N 294.734 3.334 50 50 CGGA O=C(N/N=C/c1c[nH]c2ccccc12)C1CCCCC1 511119 XOKKHYVEXREYIY-WOJGMQOQSA-N 269.348 3.198 50 50 CGGA CCCCCC[C@H](Br)C(=O)OCC 1589679 JIQJOKSCSVMZAN-VIFPVBQESA-N 251.164 3.283 50 50 CGGA in-vitro CCc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 59244 JQCFNWBYDZHEDG-MRXNPFEDSA-N 294.354 3.064 50 50 CGGA CCCSC1=C(C#N)[C@@H](c2ccc(F)cc2)CC(=O)N1 9111044 DAFORVDPCPMSEC-GFCCVEGCSA-N 290.363 3.308 50 50 CGGA Fc1ccc(C(F)(F)CBr)cc1F 95147685 XKWWYBOSHLMDLE-UHFFFAOYSA-N 257.024 3.452 50 50 CGGA Fc1ccc(CBr)c(Br)c1 50107330 QPLUIZXBWYUFMY-UHFFFAOYSA-N 267.923 3.483 50 50 CGGA in-vitro NCCCCCCSSCCCCCCN 95628799 ISJROKKGVWIKMZ-UHFFFAOYSA-N 264.504 3.406 50 50 CGGA in-vitro Cc1ccc([S@](=O)[S@@](=O)c2ccc(C)cc2)cc1 4800520 UUKMDQJYNIFVSZ-ROUUACIJSA-N 278.398 3.134 50 50 CGGA COc1c(Cl)cccc1NC(=O)OCCCl 2171928 OCPNKXGHNZNTCH-UHFFFAOYSA-N 264.108 3.136 50 50 CGGA O=C(N/N=C\c1c[nH]c2ccccc12)C1[C@H]2CCCC[C@H]12 100300357 OULDITXIYNXNCL-SYZXRTBESA-N 281.359 3.054 50 50 CGGA C[C@H](Cl)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C 1875364169 GYLFITWDWKIICS-NTZNESFSSA-N 251.757 3.018 50 50 CGGA FC(F)(F)C[C@@H](I)C(F)(F)F 63148497 WJQPGXHOQNCFHC-UWTATZPHSA-N 291.960 3.305 50 50 CGGA O=C(N/N=C/c1cccc(Cl)c1Cl)c1cccnc1 227624 WTWUORWZMWZPJI-CAOOACKPSA-N 294.141 3.152 50 50 CGGA Fc1nc(C(F)(F)F)ccc1CBr 238590799 WEXNWPQWMVLLCM-UHFFFAOYSA-N 258.012 3.134 50 50 CGGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cccs1 245226982 VIWXNMVNVMMHTM-ZKQUEBDGSA-N 262.378 3.025 50 50 CGGA O=C(Oc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 2155885 ZPZDRBUBBKIQFY-UHFFFAOYSA-N 267.624 3.060 50 50 CGGA O=C(N/N=C\c1ccco1)c1ccc(Cl)c(Cl)c1 4828653 KJIWPXLCPXDNML-CHHVJCJISA-N 283.114 3.350 50 50 CGGA N#CC(C#N)=CC1=C(Cl)/C(=C/[C-](C#N)C#N)CCC1 100435142 FVNGQQALZALQNJ-UUILKARUSA-N 267.699 3.185 50 50 CGGA O=C(c1ccccc1)[C@@H](Cl)c1ncc(Cl)cn1 22340509 RGQMZLOKLPCELK-SNVBAGLBSA-N 267.115 3.293 50 50 CGGA Cc1[nH]c2ccccc2c1/C=N\NC(=O)[C@@H]1[C@H]2CCCC[C@H]21 245238250 HLFBRTPUFOHYPN-BGOWGZPCSA-N 295.386 3.363 50 50 CGGA COc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1 445138 IZZRNSRESMHCHT-JLHYYAGUSA-N 296.301 3.380 50 50 CGGA O=C(Cc1cccs1)N/N=C/c1ccccc1Cl 446621 CYIHIDSZSUFJNA-OQLLNIDSSA-N 278.764 3.094 50 50 CGGA N#Cc1c(NC(=O)CCCl)sc2c1CCCC2 2027842 OIRKVPMIFKTKMO-UHFFFAOYSA-N 268.769 3.066 50 50 CGGA C=CCCCCCCCCC(=O)NNC(=O)NCCC 4794138 UKEKQQOVVUIXFK-UHFFFAOYSA-N 283.416 3.034 50 50 CGGA CNC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1 169989790 JUNOBLCHWJEIDZ-UHFFFAOYSA-N 265.429 3.430 50 50 CGGA C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H](C)Cl)C1 1875364619 ZTMOSNDGYILDOL-GIPNMCIBSA-N 269.747 3.363 50 50 CGGA C=CCc1cccc(/C=N/NC(=O)c2ccc(F)cc2)c1O 254340 OSPAYZVBLVANHP-YBFXNURJSA-N 298.317 3.024 50 50 CGGA CNc1ccccc1C(=O)N/N=C/C=C/c1ccccc1 1741164 MTSBRDPBWBAJEY-CIOYMBLNSA-N 279.343 3.157 50 50 CGGA O=C(CCl)N[C@H]1CCC[C@@H]1CCc1ccccc1 1875379271 PCJDBWGBEGQUIA-KGLIPLIRSA-N 265.784 3.143 50 50 CGGA Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@@H](C)Cl)cc1 1875364573 WYPWNFDIIRGGIM-YUELXQCFSA-N 295.810 3.206 50 50 CGGA ClCCCOc1ccc2c(Cl)ncnc2c1 8700331 VBZLRVSRTGORCZ-UHFFFAOYSA-N 257.120 3.291 50 50 CGGA O=P(c1ccccc1)(c1ccccc1)N1[C@H]2CC=CC[C@H]21 59173450 ZIWDCXWGUHABIE-DFNIBXOVSA-N 295.322 3.318 50 50 CGGA CCc1c(C(=O)N/N=C/c2ccsc2)csc1C 373864 VNXQQDUROPYVIW-MKMNVTDBSA-N 278.402 3.444 50 50 CGGA Cc1cc(C(=O)N/N=C/c2ccc(Cl)cc2)c(C)o1 228348 WQQRHYXHQAQVKW-LZYBPNLTSA-N 276.723 3.314 50 50 CGGA O=C(CBr)c1ccc2sccc2c1 3880884 NTQPGUCRHJHYIA-UHFFFAOYSA-N 255.136 3.479 50 50 CGGA in-vitro Cc1ccc(-c2ccc(/C=C(\C#N)C(N)=S)o2)cc1 75887 WQWZNUQSKKSUPQ-XYOKQWHBSA-N 268.341 3.448 50 50 CGGA COc1ccccc1[C@H](C(=O)Cl)C(F)(F)F 12953119 ROQGQOHLRLJYOU-MRVPVSSYSA-N 252.619 3.107 50 50 CGGA C[C@@H](Cn1ccnc1C=O)O[Si](C)(C)C(C)(C)C 217048546 BLBAHRIMKXQSAO-NSHDSACASA-N 268.433 3.106 50 50 CGGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2)cc1 46152 HBZQDULNYRWEEB-XMHGGMMESA-N 295.386 3.297 50 50 CGGA C/C(=N\NC(=O)c1cccc(C)c1)c1cccc([N+](=O)[O-])c1 301535 RAQCHEDSTQUWNA-SFQUDFHCSA-N 297.314 3.057 50 50 CGGA C[C@@H](c1ccccc1)[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 115235 MWPYAYQWMTWWTC-MEDUHNTESA-N 294.354 3.137 50 50 CGGA CCC/C(=N/NC(=O)c1ccccc1O)c1ccccc1 4829308 BLRGBRANHYAPSP-SDXDJHTJSA-N 282.343 3.326 50 50 CGGA CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Cl)cc1 2045459 FKGHEJWJKHGUKQ-SNVBAGLBSA-N 283.755 3.209 50 50 CGGA CCCN(C(=O)CCl)[C@@H]1CCc2ccccc2C1 1341509391 CHEYDHHVXWCGEA-CQSZACIVSA-N 265.784 3.021 50 50 CGGA c1ccc(P(c2ccccc2)c2ccccc2)cc1 8585891 RIOQSEWOXXDEQQ-UHFFFAOYSA-N 262.292 3.445 50 50 CGGA in-vitro CC(C)(C)C(=O)C(C#N)=C(S)Nc1ccccc1 2049286308 ADVKNUJDRFEURJ-UHFFFAOYSA-N 260.362 3.379 50 50 CGGA CC(C)(C)OC(=O)N1CCC(CCBr)CC1 35633023 CLBWAEYOPRGKBT-UHFFFAOYSA-N 292.217 3.419 50 50 CGGA COc1ncc(C(F)(F)F)cc1CBr 238401506 JQRHSRBXDHBCPM-UHFFFAOYSA-N 270.048 3.004 50 50 CGGA in-vitro O=P(C[C@H]1CCCO1)(c1ccccc1)c1ccccc1 446859 COQZULOFUIUMCX-OAHLLOKOSA-N 286.311 3.180 50 50 CGGA Fc1ccc(Cn2cc(Cl)c(N=C=S)n2)cc1 2536536 IUNJRHGZNRHGQN-UHFFFAOYSA-N 267.716 3.458 50 50 CGGA Fc1c(CBr)ccnc1C(F)(F)F 238556509 CKSLNRHTAGZPDK-UHFFFAOYSA-N 258.012 3.134 50 50 CGGA Cc1ccccc1OC/C=N/NC(=O)OCc1ccccc1 95495763 KLKNYJSNKLULGO-WOJGMQOQSA-N 298.342 3.286 50 50 CGGA in-vitro CCc1cc(=O)oc2cc(OC/C=C(\C)C#N)ccc12 1656162129 XSFJITDWIWPBRN-IZZDOVSWSA-N 269.300 3.204 50 50 CGGA O=[N+]([O-])c1ccc(-c2nc(CCl)cs2)cc1 1431383 LFVAPAHRHVOVHQ-UHFFFAOYSA-N 254.698 3.457 50 50 CGGA C/C(=N/NC(=O)c1ccccc1N)c1ccccc1Cl 4993948 HGODELXMDCDIOJ-ZDLGFXPLSA-N 287.750 3.076 50 50 CGGA CCOc1cccc(NC(=O)/C(C#N)=C\c2cccnc2)c1 5059168 CAGJFNRCIZAEAA-ZROIWOOFSA-N 293.326 3.026 50 50 CGGA CC(C)(C)OC(=O)/C(C#N)=C1/C=Cc2ccccc2N1 6363829 ZVVGVUDETQKEBQ-OWBHPGMISA-N 268.316 3.245 50 50 CGGA C[C@@H](Cl)C(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 1875364188 JMXKDAJZHNQJST-BXUZGUMPSA-N 280.799 3.043 50 50 CGGA O=C(Cl)c1ccccc1C(=O)c1ccc(F)cc1 143863966 AMSMUNPYODMJOJ-UHFFFAOYSA-N 262.667 3.436 50 50 CGGA CCC[C@@H](C)[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 115428 ZJCLAZOWCPVCCC-YGRLFVJLSA-N 288.391 3.406 50 50 CGGA ClCc1ccc(I)cc1 330969 IACBULCMHGPEBX-UHFFFAOYSA-N 252.482 3.030 50 50 CGGA C[C@H](Cl)C(=O)N1C[C@H](C)C[C@H]1c1ccccc1F 1875364620 ZTMOSNDGYILDOL-NRUUGDAUSA-N 269.747 3.363 50 50 CGGA N#CC1=C(N)OC2=C(CCCC2)[C@@H]1c1ccc(F)cc1 236108 LTMJZYFDMIUYAI-HNNXBMFYSA-N 270.307 3.461 50 50 CGGA COC(=O)c1c(N=C=S)sc2c1CC[C@H](C)C2 2522252 HMLSGWSAVOKQNI-ZETCQYMHSA-N 267.375 3.394 50 50 CGGA O=C(CBr)c1ccc(Br)cc1 28146 FKJSFKCZZIXQIP-UHFFFAOYSA-N 277.943 3.027 50 50 CGGA biogenic,in-vitro ClCC1(CCl)CC1(Br)Br 2575330 RCRVZCIUKQNOIS-UHFFFAOYSA-N 296.817 3.340 50 50 CGGA in-vitro C[C@H](Cl)C(=O)Nc1ccccc1-c1nc(C2CC2)no1 1875363980 GPXBHXIFYGRJAK-QMMMGPOBSA-N 291.738 3.180 50 50 CGGA O=C(CBr)Nc1ccc(Cl)cc1Cl 163047 YZVNPIHBYVRKEH-UHFFFAOYSA-N 282.952 3.327 50 50 CGGA Cc1occc1C(=O)N/N=C/c1ccccc1Cl 249443 UNKOORQYJWUHMI-OVCLIPMQSA-N 262.696 3.005 50 50 CGGA Cc1ccc(/C=N/NC(=O)c2csc(C)c2C)o1 2783308 XBIWESRJTZMOFG-MKMNVTDBSA-N 262.334 3.030 50 50 CGGA O=C1C(=O)N(CCCCCCl)c2ccc(Cl)cc21 2029020 BEINLNBKCVURDQ-UHFFFAOYSA-N 286.158 3.278 50 50 CGGA O=C(O)c1cc(CBr)ccc1Br 125136914 RQUDWCHBLVODNW-UHFFFAOYSA-N 293.942 3.042 50 50 CGGA Br[C@@H]1C=C[C@H]2C=C[C@H]1C=C[C@H]2Br 254868898 WYGQQLFFWLHGPJ-UTINFBMNSA-N 289.998 3.442 50 50 CGGA O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1cccnc1 227636 NNCHMEFQHKUBRW-REZTVBANSA-N 294.141 3.152 50 50 CGGA CCc1ccc(OCCOCCBr)cc1 2896507 WZFFXBUYIREMLU-UHFFFAOYSA-N 273.170 3.039 50 50 CGGA BrCCCCCCO[C@H]1CCCCO1 3957440 CWSSIUJITPYGLK-LLVKDONJSA-N 265.191 3.485 50 50 CGGA N#CC(C#N)=CNc1ccccc1C(=O)c1ccccc1 4541708 GCOWZZZYTAOAOO-UHFFFAOYSA-N 273.295 3.261 50 50 CGGA Cc1ccccc1OCC(=O)NN=C1CCC(C)CC1 6451761 CUHJTNSLWOEPPB-UHFFFAOYSA-N 274.364 3.056 50 50 CGGA Cc1nc2c(NC(=O)CCl)c(Cl)ccc2s1 1875377987 SVMHCPQBHGNKLH-UHFFFAOYSA-N 275.160 3.435 50 50 CGGA O=[N+]([O-])c1ccc(Cl)c(OCCBr)c1 1750331 LGPJVUMRHGXFME-UHFFFAOYSA-N 280.505 3.022 50 50 CGGA Fc1ccc(CCCI)cc1 113711075 KZIWHIFUFXAERT-UHFFFAOYSA-N 264.081 3.193 50 50 CGGA C/C(=N\NC(=O)C1CCCCC1)c1cccs1 12343103 WIXAAQIVBUSWIJ-GXDHUFHOSA-N 250.367 3.169 50 50 CGGA C/C(=N/NC(=O)c1ccccc1N)c1ccc(Cl)cc1 4946880 QBVYDXJRMNWBLS-ZDLGFXPLSA-N 287.750 3.076 50 50 CGGA O=C(O)[C@@H](Br)c1cccc2ccccc12 39298958 IADYHPJITIMZPZ-NSHDSACASA-N 265.106 3.360 50 50 CGGA CC(C)(C)OC(=O)N1CCC[C@](F)(CBr)C1 95707774 PXVKUFJNNKESBN-NSHDSACASA-N 296.180 3.121 50 50 CGGA O=C([C@H](F)Cl)N1CCC(c2cc(F)cc(F)c2)CC1 1875362301 ZGFJIQIWLQIHAE-LBPRGKRZSA-N 291.700 3.205 50 50 CGGA CC[C@H](Br)C(=O)N(CC)c1ccccc1 32919737 DZUHMVCIFVWFLH-NSHDSACASA-N 270.170 3.213 50 50 CGGA C=C(Cl)CN(C(=O)CCl)[C@H]1CCc2ccccc21 1875363495 FENZOYAGHFLANE-ZDUSSCGKSA-N 284.186 3.494 50 50 CGGA O=C(O)[C@H](Br)c1cccc2ccccc12 39298959 IADYHPJITIMZPZ-LLVKDONJSA-N 265.106 3.360 50 50 CGGA CC(C)(C)OC(=O)N1CCC(F)(CBr)CC1 72232741 USTMSYLQMJWLAB-UHFFFAOYSA-N 296.180 3.121 50 50 CGGA in-vitro Cc1ccc([S@](=O)[S@](=O)c2ccc(C)cc2)cc1 17259723 UUKMDQJYNIFVSZ-HDICACEKSA-N 278.398 3.134 50 50 CGGA C/C(=N/NC(=O)c1ccccc1)c1ccc(Cl)cc1 12342913 PMKFHOCRKFYCNI-BOPFTXTBSA-N 272.735 3.494 50 50 CGGA O=C(CCl)N1[C@H]2C=C(c3cccs3)C[C@H]1CC2 1875377779 NIUHAFXJRIFXRI-GHMZBOCLSA-N 267.781 3.134 50 50 CGGA Cc1ccc2c(c1)c1c(n2C[C@H](O)CCl)C(=O)CCC1 333969 NYIJGEIVJNPFEI-LLVKDONJSA-N 291.778 3.068 50 50 CGGA O=C1CCCCCN1SSN1CCCCCC1=O 101732 LGBYJXBCVZKJBL-UHFFFAOYSA-N 288.438 3.003 50 50 CGGA biogenic Cc1ccc(/C=N/NC(=O)c2ccc(-n3cccc3)cc2)o1 373054 MSLKYUFDJZPCDK-LDADJPATSA-N 293.326 3.143 50 50 CGGA C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCCCl 2026515 YXUIWPHGOSIKIF-JTQLQIEISA-N 280.755 3.064 50 50 CGGA biogenic CC[Si]1(C)O[Si](C)(CC)O[Si](C)(CC)O1 170156138 DGLJYEKNUTVPAE-UHFFFAOYSA-N 264.546 3.326 50 50 CGGA COc1ccc(Cl)cc1NC(=O)[C@H](C)Br 34926254 FVGXKHAYCWEYQC-LURJTMIESA-N 292.560 3.071 50 50 CGGA N#CC(NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1)=C(Cl)Cl 1775975363 HVPCIHAWBSRUHO-VHSXEESVSA-N 299.132 3.216 50 50 CGGA COc1ccccc1/C=C/C=N/NC(=O)c1ccoc1C 1959564 WWCFYMJVUBJDMJ-NBWVBKPASA-N 284.315 3.026 50 50 CGGA CCOC(=O)/C(C#N)=C\c1cc(F)cc(Br)c1 299805637 YPEPGHTWGYCGFO-OQFOIZHKSA-N 298.111 3.058 50 50 CGGA O=[N+]([O-])c1cc(Br)cc(CBr)c1 34386125 LUTXVMDOMLHNIX-UHFFFAOYSA-N 294.930 3.252 50 50 CGGA in-vitro C[C@@H](Oc1ccccc1)C(=O)N/N=C/C=C/c1ccccc1 1781362 OBNPPHAEQOBVNK-DXZBYTMNSA-N 294.354 3.269 50 50 CGGA C[C@@H](Cl)C(=O)N(C)[C@H](Cc1ccccn1)C(C)(C)C 1875364877 XCGFAVFSLASKGS-DGCLKSJQSA-N 282.815 3.125 50 50 CGGA CCCCc1ccc(NC(=O)[C@H](F)Cl)c(C)n1 2325898473 FHSXSPMVJSUQIB-NSHDSACASA-N 258.724 3.206 50 50 CGGA NC(=O)CCCCCCCCCCBr 1595532 NHUWVMSJSKNFHL-UHFFFAOYSA-N 264.207 3.378 50 50 CGGA CC(C)(C)OC(=O)NNCc1ccc(-c2ccccn2)cc1 21301403 GIMJTKJSKPENNG-UHFFFAOYSA-N 299.374 3.278 50 50 CGGA in-vitro C/C(=N\NC(=O)c1ccccc1)c1ccc(C)cc1 12403656 AWWXRFPQSOVNTR-GHRIWEEISA-N 252.317 3.149 50 50 CGGA C/C(=N/NC(=O)c1ccccc1)c1ccccc1Cl 4992250 YQIVOBSHOBOAJO-BOPFTXTBSA-N 272.735 3.494 50 50 CGGA FC1(F)CCC(CI)CC1 96024803 BZUZKVFPWWKTLD-UHFFFAOYSA-N 260.065 3.247 50 50 CGGA Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CCl 1118493020 QNKDSBGAFULIKO-VIFPVBQESA-N 274.817 3.333 50 50 CGGA N#CC1=C(N)Oc2cc(N)ccc2[C@H]1C1CCCCC1 115376 OJXRMPFEXKGUOL-OAHLLOKOSA-N 269.348 3.019 50 50 CGGA Cc1ccccc1-n1c(CCl)nc2ccccc2c1=O 3050380 GZCHSUWHNMHICW-UHFFFAOYSA-N 284.746 3.433 50 50 CGGA CCOC(=O)/C(C#N)=C/c1cc2ccccc2nc1Cl 272623 KYQGTGJCHYDWLF-XYOKQWHBSA-N 286.718 3.358 50 50 CGGA O=C/C=C/c1coc2ccc3ccccc3c2c1=O 2024656 ONAPKKKJDJLYFX-HWKANZROSA-N 250.253 3.158 50 50 CGGA C[C@H](Cl)C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 1875380053 CZMSMQIPRUKYJW-IINYFYTJSA-N 292.741 3.054 50 50 CGGA FC(F)(Br)C(F)(F)CCBr 2579116 ASHCDEYFCNWSTR-UHFFFAOYSA-N 287.876 3.394 50 50 CGGA N#C/C(=C\c1ccccc1O)c1nc2ccccc2[nH]1 3903212 AZEVWTLMLJADQY-FMIVXFBMSA-N 261.284 3.333 50 50 CGGA CC1=C(C#N)[C@@H](c2ccncc2)C2=C(CC(C)(C)CC2=O)N1 25695299 ZTUMYXKKJAQBQM-MRXNPFEDSA-N 293.370 3.209 50 50 CGGA O=[N+]([O-])c1cc(Cl)cc(CBr)c1 38530093 WVOZXINFVGMMDY-UHFFFAOYSA-N 250.479 3.143 50 50 CGGA CCc1cccc(NC(=O)[C@@H](Br)CC)c1 32919921 BGHIPYYCDXBKPA-NSHDSACASA-N 270.170 3.361 50 50 CGGA Cn1c(/C(C#N)=C/c2cccnc2)nc2ccccc21 4032212 NQGIIUKPGFTOPD-UKTHLTGXSA-N 260.300 3.032 50 50 CGGA N#CC1=C2CCCC[C@H]2C(=O)n2c1nc1ccccc12 1426388 GWTFSDUDEVGULZ-LLVKDONJSA-N 263.300 3.157 50 50 CGGA C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 294521 ZQPZMUGGEJZLNN-SFQUDFHCSA-N 297.314 3.057 50 50 CGGA Cc1occc1C(=O)N/N=C/c1ccccc1C(F)(F)F 381467 QZMSREFUSKUYLB-QGMBQPNBSA-N 296.248 3.371 50 50 CGGA C[C@H](Br)C(=O)Nc1cccc(C(F)(F)F)c1 58863939 NMAQEVYCJBKRDV-LURJTMIESA-N 296.086 3.427 50 50 CGGA CC(C)(C)OC(=O)N1CC[C@@H](CCBr)C1 95083236 SEFXLCQXQDYFPR-SECBINFHSA-N 278.190 3.028 50 50 CGGA CCOc1ccc(/C=C(\C#N)C(=O)N2CCCC[C@@H]2C)cc1 193378331 SXBUOQWVHWKYPH-AOHITCTBSA-N 298.386 3.393 50 50 CGGA O=C(CCl)Nc1cc(F)c(N2CCCCC2)c(F)c1 1875374979 MOMCFWUKTAAUQQ-UHFFFAOYSA-N 288.725 3.132 50 50 CGGA COc1ccc(/C=C(\C#N)c2cccnc2)cc1OC 37858694 DBGZNJVTHYFQJI-RIYZIHGNSA-N 266.300 3.163 50 50 CGGA in-vivo CCCN(CCBr)C(=O)OC(C)(C)C 136529946 KBRNIVLBTLAOGZ-UHFFFAOYSA-N 266.179 3.028 50 50 CGGA CCOC(=O)/C(C#N)=C/Nc1ccc(Cl)c(Cl)c1 14796345 DEWWTYFVQCQDRF-BQYQJAHWSA-N 285.130 3.376 50 50 CGGA C[C@@H]1CCC=C2C(=O)C[C@@H]3OOC(C)(C)[C@@H]3[C@]21C 257469057 KXGHHSIMRWPVQM-BWUZBNCSSA-N 250.338 3.047 50 50 CGGA biogenic C[C@H](NC(=O)[C@@H](C)Cl)c1nc(-c2cccnc2)cs1 1875364020 HOEYZRKDZJBLIX-BDAKNGLRSA-N 295.795 3.010 50 50 CGGA Cc1cccc(C)c1NC(=O)[C@@H](C)Br 152357 SIWFSHGMQMQXJE-SECBINFHSA-N 256.143 3.025 50 50 CGGA O=C(N/N=C/C=C/c1ccccc1)C1CCCCC1 2379739 CTRNOVKCNBFVJY-UVZCHINQSA-N 256.349 3.382 50 50 CGGA N#CC(NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)=C(Cl)Cl 1775976201 PIIIRWKCTKAEPV-UWVGGRQHSA-N 299.132 3.216 50 50 CGGA N#C/C(=C\c1ccc2c(c1)OCO2)c1ccccc1[N+](=O)[O-] 2549104 IQDQKGJTJWDOIX-KPKJPENVSA-N 294.266 3.388 50 50 CGGA C[C@@H](Cl)C(=O)NCCCO[C@H]1CCCc2ccccc21 1875364882 XDWZKWIJIVSDGH-DOMZBBRYSA-N 295.810 3.214 50 50 CGGA CCN(CC)CP(=O)(c1ccccc1)c1ccccc1 8014779 ZZLNOYOQQDEVPH-UHFFFAOYSA-N 287.343 3.300 50 50 CGGA CCC[C@H]1CC[C@H]([C@@H]2CC=C(B(O)O)CC2)CC1 604220528 ZDOBCKIGBGWTHO-MGPQQGTHSA-N 250.191 3.331 50 50 CGGA ClCc1nc(Br)sc1Br 15021577 RMNOQKGRQSKMQO-UHFFFAOYSA-N 291.395 3.407 50 50 CGGA O=C(NN=C1CCCCC1)c1ccc(Br)cc1 284601 MYANQCMUOIPHBP-UHFFFAOYSA-N 295.180 3.499 50 50 CGGA C[C@@H]1CCc2c(C(=O)N/N=C/c3ccoc3)csc2C1 2785279 IMRVLFVBSMJIQM-JYMRLUDQSA-N 288.372 3.230 50 50 CGGA Cc1cccc(C)c1NC(=O)NN=Cc1ccccc1 252320687 KYUXNJHOOWMUCT-UHFFFAOYSA-N 267.332 3.459 50 50 CGGA CCO[Si](OCC)(OCC)[C@H]1C[C@H]2C=C[C@@H]1C2 169811050 HHKDWDAAEFGBAC-XQQFMLRXSA-N 256.418 3.001 50 50 CGGA C[C@H](Cl)C(=O)N(c1cccc(C#N)c1)C1CCC1 1875377791 NOAPVYMLTVATBO-JTQLQIEISA-N 262.740 3.071 50 50 CGGA COc1ccc(OCCCl)c(Br)c1 34559432 RZAYGNVLYXZLCP-UHFFFAOYSA-N 265.534 3.075 50 50 CGGA COc1cc(CBr)cc(C(F)(F)F)n1 238390354 HWBCOACGFFWMKI-UHFFFAOYSA-N 270.048 3.004 50 50 CGGA C[C@@](F)(Br)[C@@H](Cl)Br 100034765 WBKNWEJIMRYZJQ-GBXIJSLDSA-N 254.324 3.027 50 50 CGGA CCOC(=O)[C@H](Br)[C@H]1CCC[C@H](C)C1 71772460 DUTJSCZKHCIGAK-LPEHRKFASA-N 263.175 3.139 50 50 CGGA Cc1cc(C)c2[nH]c(=O)cc(CBr)c2c1 5116217 SRTASJMBMIZXRW-UHFFFAOYSA-N 266.138 3.040 50 50 CGGA CC(C)/C(=N/NC(=O)COc1ccccc1)c1ccccc1 4066478 YFWUCGBQTQVXIL-ZZEZOPTASA-N 296.370 3.242 50 50 CGGA N#CC(C#N)=Cc1ccc(-c2ccc3c(c2)COC3=O)o1 136549 JIZBTNBBNZNRPY-UHFFFAOYSA-N 276.251 3.048 50 50 CGGA C/C(=N\NC(=O)c1ccoc1C)c1ccc(Cl)cc1 525084 MUCAETRBZXWFFL-CXUHLZMHSA-N 276.723 3.395 50 50 CGGA CCCNC(=O)NNc1cc(Cl)ccc1Cl 4760330 NVOUHJXGJZLVDY-UHFFFAOYSA-N 262.140 3.030 50 50 CGGA CCOc1c(C=C(C#N)C#N)c2ccccc2n1CC 448204 JLOZCBLXISOFCE-UHFFFAOYSA-N 265.316 3.490 50 50 CGGA CC[C@@H](Br)C(=O)Nc1ccc(Cl)cc1 32919696 VMUDHGWIJGIWSI-SECBINFHSA-N 276.561 3.452 50 50 CGGA Cc1cc(C)cc([PH](=O)c2cc(C)cc(C)c2)c1 100006609 AWAYSUMOANJULO-UHFFFAOYSA-N 258.301 3.431 50 50 CGGA FC(F)(F)C[C@](F)(Cl)CI 71790177 AOHABRULNQCPNK-GSVOUGTGSA-N 290.425 3.278 50 50 CGGA CCOC(=O)/C(C#N)=C/c1cccc2ccccc12 160792 LKIMUVKEQPRZFV-GXDHUFHOSA-N 251.285 3.310 50 50 CGGA CCc1n[nH]c(C(=O)N/N=C/C(C)=C/c2ccccc2)c1C 6294618 ANTALRDQYAQAMY-SIBNOYASSA-N 296.374 3.100 50 50 CGGA COc1ccccc1[C@@H](NC(=O)[C@@H](C)Cl)c1ccco1 1875363838 BIBSIOWPGKIOLS-QMTHXVAHSA-N 293.750 3.121 50 50 CGGA O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1 1700075 UPMLOUAZCHDJJD-UHFFFAOYSA-N 250.257 3.212 50 50 CGGA in-vitro O=C(CBr)c1cccc(C(F)(F)F)c1F 2243362 HFALZDRQGOFSDO-UHFFFAOYSA-N 285.034 3.422 50 50 CGGA in-vitro CC(C)(C)OC(=O)N1CCC(CBr)CC1 2527641 YGJXBTRLYHCWGD-UHFFFAOYSA-N 278.190 3.028 50 50 CGGA in-vitro CC(C)(C)c1[nH]nc2c1[C@@H]([C@@H]1C=CCCC1)C(C#N)=C(N)O2 550849 AFTHMAMOWSXMPL-PWSUYJOCSA-N 298.390 3.233 50 50 CGGA O=C1C(CCl)(CCl)CCC1(CCl)CCl 1584442 OPNWCHGGNNYGDZ-UHFFFAOYSA-N 278.006 3.277 50 50 CGGA O=C(C1CC1)[C@@H](Br)c1ccccc1F 38540436 LMCZCCDXOZGIND-JTQLQIEISA-N 257.102 3.241 50 50 CGGA COc1cc(C(=O)Cl)ccc1OCCC(C)C 40451438 YUSNAIAZQMADBJ-UHFFFAOYSA-N 256.729 3.499 50 50 CGGA CCOc1cccc(C2=NO[C@@H]([C@H](C)Cl)C2)c1 217006725 BOBGKSBLZCYLHU-TVQRCGJNSA-N 253.729 3.206 50 50 CGGA N#CC(C(=O)Nc1ccccn1)=C1CCCCCC1 127274 NQPUGRNCDSIZLK-UHFFFAOYSA-N 255.321 3.194 50 50 CGGA F[C@@H](C(F)(F)F)C(F)(F)OC(Cl)Cl 4266040 GZJFDMGJHHVNAC-SFOWXEAESA-N 250.953 3.257 50 50 CGGA C[C@@](F)(Br)[C@H](Cl)Br 100034773 WBKNWEJIMRYZJQ-HRFVKAFMSA-N 254.324 3.027 50 50 CGGA COc1ccc2[nH]cc(C(=O)[C@@H](C)Br)c2c1 489584 OZNLOKJCYMXMBC-SSDOTTSWSA-N 282.137 3.143 50 50 CGGA CC[C@@H](Br)C(=O)c1ccc(OC)cc1 2570178 NYVCAOCEVSDWOB-SNVBAGLBSA-N 257.127 3.051 50 50 CGGA CCCC1(CCC)[C@@H](/C(C)=N/NC(N)=O)[C@H]1CC 1233097 KLGBWJHOHXLSPX-GIBJHAEVSA-N 253.390 3.273 50 50 CGGA C[C@@H]1[C@H]2C[C@H](C(C)(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N 34954624 YWNLJOXMFLFSCZ-YRGRVCCFSA-N 294.402 3.405 50 50 CGGA N#CC(NC(=O)c1cccc(Cl)c1)=C(Cl)Cl 1857801018 ZTSGNIACWBPQDL-UHFFFAOYSA-N 275.522 3.240 50 50 CGGA N#C/C(=C/c1cccs1)c1nnc2n1CCCCC2 3893052 AEYGJIDPTJWZEH-LUAWRHEFSA-N 270.361 3.130 50 50 CGGA O=C(N/N=C/c1cccs1)C12CC3CC(CC(C3)C1)C2 4975927 SFJOBWVOISUSNZ-LICLKQGHSA-N 288.416 3.415 50 50 CGGA CC(C)(C)OC(=O)NCCCCCBr 2576369 OHUJQWJCNMMZFM-UHFFFAOYSA-N 266.179 3.076 50 50 CGGA in-vitro CC1(C)C[C@]23CC=CC[C@]2(C1)[C@@H](Cl)S(=O)(=O)C3 101049563 AMCLXVINJFAWJQ-DRZSPHRISA-N 274.813 3.123 50 50 CGGA C[C@H](Cl)C(=O)Nc1cccc(C(F)(F)F)c1 3066208 USTQTYMWZUKPEI-LURJTMIESA-N 251.635 3.271 50 50 CGGA in-vitro Cc1ccsc1/C=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1 1022508 XRFPITCRIFMQBR-DPOBWDHUSA-N 284.384 3.310 50 50 CGGA O=C(NCCCl)Nc1ccc(Cl)c(Cl)c1 1699665 NAGCPPYNSJHGKC-UHFFFAOYSA-N 267.543 3.354 50 50 CGGA in-vitro C[C@H](Cl)C(=O)N(C)[C@@H](Cc1ccccn1)C(C)(C)C 1875364876 XCGFAVFSLASKGS-AAEUAGOBSA-N 282.815 3.125 50 50 CGGA O=C(CCl)NCc1ccccc1SC(F)(F)F 1352109391 JDIZMESTFFXMGI-UHFFFAOYSA-N 283.702 3.154 50 50 CGGA CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB(C(Cl)Cl)O[C@@H]1C2 196585734 TWHXKKILBKLSIJ-SDCKUUTBSA-N 262.973 3.058 50 50 CGGA O=P(c1ccccc1)(c1ccccc1)C1CCOCC1 296540 SJDVUMPHDZQGBB-UHFFFAOYSA-N 286.311 3.180 50 50 CGGA O=[N+]([O-])c1ccc(OCCBr)c(Cl)c1 1750802 JMXPNZROKBLLIU-UHFFFAOYSA-N 280.505 3.022 50 50 CGGA O=C(CBr)c1ccc(-c2ccccn2)s1 158559 MJDNWZQQRFCXRU-UHFFFAOYSA-N 282.162 3.388 50 50 CGGA in-vitro Nc1ccccc1C(=O)N/N=C/c1cccc2ccccc12 144364 NWLDMUAWNQLFOL-UDWIEESQSA-N 289.338 3.186 50 50 CGGA N#Cc1c(NC(=O)C(Cl)Cl)sc2c1CCCC2 1932421 JNSFZUACZUARRE-UHFFFAOYSA-N 289.187 3.241 50 50 CGGA CC(/C=C/c1ccco1)=N/NC(=O)CNc1ccccc1C 4982050 RBVMJKCDLYQNES-YOTIAXBGSA-N 297.358 3.205 50 50 CGGA O=[N+]([O-])c1ccc(Br)cc1CBr 71654905 HEDWEKIFJGXTDZ-UHFFFAOYSA-N 294.930 3.252 50 50 CGGA Cc1cc(C(=O)N/N=C/c2cccc(Cl)c2)c(C)o1 228259 MSPIRCQNSQVYOW-LZYBPNLTSA-N 276.723 3.314 50 50 CGGA N#C/C(=C\c1ccc(-c2ccccc2)o1)C(N)=S 467382 QQWMMMPJOCYOFU-DHZHZOJOSA-N 254.314 3.140 50 50 CGGA Cc1oc2ccccc2c1CCNC(=O)[C@@H](C)Cl 1875377544 GTEKTLZHKQGZHA-SECBINFHSA-N 265.740 3.027 50 50 CGGA CC1CCC(N(C[C@@H]2CCCO2)C(=O)[C@@H](C)Cl)CC1 1875363518 HBNJCHOKBRIWLG-HHTDUIENSA-N 287.831 3.200 50 50 CGGA COc1ccc(C(=O)C(C#N)=C2Nc3ccccc3N2)cc1 5687007 ZZJADABBUYITJL-UHFFFAOYSA-N 291.310 3.151 50 50 CGGA COc1ccc(-c2noc(C)c2C(=O)Cl)cc1 2513525 FABGSPUDPOKWCR-UHFFFAOYSA-N 251.669 3.038 50 50 CGGA C=C(CCCl)[Sn](C)(C)C 169830728 CRTSSODYJHOAGQ-UHFFFAOYSA-N 253.361 3.049 50 50 CGGA CC(=O)C/C(C)=N/NC(=O)c1ccc(-c2ccccc2)cc1 100317009 VLAQZNDZNKKEQW-CPNJWEJPSA-N 294.354 3.438 50 50 CGGA CC(=O)O[C@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)O1 169834936 YXBPDVPYLRVOJK-NWDGAFQWSA-N 274.433 3.076 50 50 CGGA C[C@H](Br)C(=O)Nc1cccc(Cl)c1 5676611 AQCUZZDNJGESDZ-LURJTMIESA-N 262.534 3.062 50 50 CGGA CC(=O)c1cccc(NC(=O)C(C)(C)CCl)c1 2578167 IJGOLMUXPGEDNA-UHFFFAOYSA-N 253.729 3.093 50 50 CGGA CC(C)c1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1 19203647 OMCAVIWIRQSBCQ-UHFFFAOYSA-N 296.399 3.028 50 50 CGGA COc1cccc([C@H]2C[C@H](N(C)C(=O)[C@@H](C)Cl)C2)c1 1875376395 VMDWEGYASQNQOA-RAIGVLPGSA-N 281.783 3.027 50 50 CGGA CCCCOc1ccc(NC(=O)[C@H](C)Cl)cc1 32108924 YLVYZFLOYDRNFH-JTQLQIEISA-N 255.745 3.431 50 50 CGGA CCOC(=O)[C@H](Br)[C@@H]1CCC[C@H](C)C1 71772456 DUTJSCZKHCIGAK-IVZWLZJFSA-N 263.175 3.139 50 50 CGGA Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Br 45796285 UKEYXKCDUNMFNC-SSDOTTSWSA-N 276.561 3.370 50 50 CGGA C[C@@H](Cl)C(=O)N1CCn2c(cc3c(Cl)cccc32)C1 1875380574 SMBJIGADXMLLMP-SECBINFHSA-N 297.185 3.264 50 50 CGGA BrCCOc1ccc(Br)cc1 1601864 SRGBSEMMGLSUMI-UHFFFAOYSA-N 279.959 3.223 50 50 CGGA in-vitro CC[C@H]1[C@@H](CC)[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)OC(=O)[C@@H]12 101021410 RJMSBHKPHAFXQK-XKQXWOLCSA-N 284.355 3.249 50 50 CGGA COc1ccc(NC(=O)[C@@H](C)Br)cc1Cl 58852311 UXHQRVPOYMQTBZ-ZCFIWIBFSA-N 292.560 3.071 50 50 CGGA CCCOc1ccc(/C=N/NC(=O)c2cccs2)cc1 2702449 DHJLYODTXWCEJD-LFIBNONCSA-N 288.372 3.301 50 50 CGGA Cl[C@@H]1CC[C@@H]2CC=C[C@]12CCC1OCCCO1 71786406 BBUJDCIRTHUXRS-OUCADQQQSA-N 256.773 3.493 50 50 CGGA CCC(C)(C)CN(Cc1c(C)nn(C)c1C)C(=O)CCl 1875381760 GUBRGABWQNXSCN-UHFFFAOYSA-N 299.846 3.041 50 50 CGGA C[C@@H](Cl)C(=O)N[C@H](CC1CCCCC1)c1ncccn1 1875364024 ACOVONGEBMERBC-DGCLKSJQSA-N 295.814 3.232 50 50 CGGA CC(C)(C)OC(=O)N[C@H]1CC[C@H](CBr)CC1 245189272 JPJCPRFAUVDSEA-MGCOHNPYSA-N 292.217 3.465 50 50 CGGA in-vitro O=C(CBr)Nc1ccc(Cl)c(Cl)c1 5816278 PBKMKSXLCWBAJQ-UHFFFAOYSA-N 282.952 3.327 50 50 CGGA CC[C@@H](Br)C(=O)Nc1cccc(C)c1 32919636 ZMWFOXBOGQLOMZ-SNVBAGLBSA-N 256.143 3.107 50 50 CGGA Fc1ccc(OC(F)F)c(CBr)c1 228808131 HYFSTIBHUHKZAE-UHFFFAOYSA-N 255.033 3.322 50 50 CGGA Cc1ccccc1/C=N/NC(=O)c1sccc1C 371424 FVHSLMNLIWDGMY-OQLLNIDSSA-N 258.346 3.129 50 50 CGGA CC(=O)[C@H](Cl)Cc1cccc(C(F)(F)F)c1 2147420 QRFOJCFYLIOVCP-SNVBAGLBSA-N 250.647 3.444 50 50 CGGA CC/C(=N\NC(N)=O)[C@H]1C[C@@H](C(C)C)CC=C1C 4184355 PHTQOJFYWWOMIB-HPJJITKJSA-N 251.374 3.049 50 50 CGGA Cc1ccc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1 4956695 OHXJGGTYWZAIAL-AKOHYNGRSA-N 278.355 3.249 50 50 CGGA C[C@H](Cl)C(=O)N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C 718106098 NXDDLOQEKKWAAT-FPMFFAJLSA-N 295.810 3.114 50 50 CGGA O=C(CBr)c1ccc(OC(F)(F)F)cc1 167156 AOAGGWLQIILIIV-UHFFFAOYSA-N 283.043 3.163 50 50 CGGA in-vitro CC/C(=N\NC(=O)Cc1ccccc1)c1ccccc1 12401995 QRWUEAHGNRSTKO-FBMGVBCBSA-N 266.344 3.160 50 50 CGGA Cc1ccc(Cl)cc1NC(=O)[C@H](C)Br 45796286 UKEYXKCDUNMFNC-ZETCQYMHSA-N 276.561 3.370 50 50 CGGA O=C(CBr)Nc1nc(-c2ccccc2)cs1 159329 LHHABMIHGGMUOZ-UHFFFAOYSA-N 297.177 3.144 50 50 CGGA Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)O)o2)cc1 5753493 GPBCGDOBANGKFK-XYOKQWHBSA-N 253.257 3.247 50 50 CGGA O=C(OCc1ccccc1)N1CCC[C@H]1CCl 12650372 GWLBVPAKNFVYLA-LBPRGKRZSA-N 253.729 3.026 50 50 CGGA N#Cc1c(N=C=S)ccc(Br)c1F 15443822 YXHGPFADFRGLBS-UHFFFAOYSA-N 257.087 3.194 50 50 CGGA Cc1ccc(C(=O)/C(C#N)=C/c2ccc(N(C)C)o2)cc1 4529432 DFRLLMJPZKMHSJ-GXDHUFHOSA-N 280.327 3.444 50 50 CGGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2[C@@H]1CC=CCC1 115460 DFIBLPWNKGOUGB-ABAIWWIYSA-N 298.386 3.326 50 50 CGGA biogenic,in-vitro Cc1ccc(C(=O)c2ccccc2NC(=O)CCl)cc1 170612561 PRMHGSYFIFIJAA-UHFFFAOYSA-N 287.746 3.403 50 50 CGGA CC(C)(Oc1ccc(Br)cc1)C(=O)Cl 40451402 XEGDEYNAWWGQFF-UHFFFAOYSA-N 277.545 3.372 50 50 CGGA COCCCN(Cc1ccc(Cl)s1)C(=O)CCl 1875376358 UJNVECOWYDZDSP-UHFFFAOYSA-N 296.219 3.005 50 50 CGGA COc1ccccc1[C@@H](C(=O)Cl)C(F)(F)F 12953114 ROQGQOHLRLJYOU-QMMMGPOBSA-N 252.619 3.107 50 50 CGGA CC(C)c1nc(-c2ccc(C(=O)Cl)cc2)no1 217040907 JJBKMAOORTXWJN-UHFFFAOYSA-N 250.685 3.239 50 50 CGGA O=C(N/N=C/c1cccc(Cl)c1)c1cccs1 228042 BLZUHNPIMZEUPE-RIYZIHGNSA-N 264.737 3.165 50 50 CGGA O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(F)cc1 273684 UUYZONLCBSOLIE-QGMBQPNBSA-N 294.688 3.382 50 50 CGGA CCO[Si](OCC)(OCC)[C@@H]1C[C@H]2C=C[C@@H]1C2 169811048 HHKDWDAAEFGBAC-YNEHKIRRSA-N 256.418 3.001 50 50 CGGA O=C(c1ccc(CBr)cc1)C(F)(F)F 169796523 NPGJBWRAAZWXQD-UHFFFAOYSA-N 267.044 3.327 50 50 CGGA CC(/C=N/NC(=O)c1ccoc1C)=C\c1ccccc1 228222 DSRUOVCTTLFMEH-SVSXJNCISA-N 268.316 3.407 50 50 CGGA CC(C)(C)OC(=O)N/N=C/c1c[nH]c2ccccc12 1021519 ZXTRHVMIHVMJKJ-CXUHLZMHSA-N 259.309 3.027 50 50 CGGA Cc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)o1 256931 GKDLEFNBAFQSAZ-OVCLIPMQSA-N 262.696 3.005 50 50 CGGA C[C@@H](Cl)C(=O)Nc1cccc(C(F)(F)F)c1 3066209 USTQTYMWZUKPEI-ZCFIWIBFSA-N 251.635 3.271 50 50 CGGA in-vitro C[C@@H](Br)C(=O)c1c[nH]c2ccccc12 531056 NKDRSWRYWHAWHV-SSDOTTSWSA-N 252.111 3.134 50 50 CGGA O=S(=O)(Cc1ccc(Cl)cc1)C(Cl)Cl 101037771 BJMKXBGMZFMUOS-UHFFFAOYSA-N 273.568 3.016 50 50 CGGA O=C(CCl)N[C@@H]1CCCc2c(F)cc(Cl)cc21 1875375198 UUSQSPLTWGKLJS-LLVKDONJSA-N 276.138 3.212 50 50 CGGA C/C(=N\NC(=O)c1ccoc1C)c1ccc(Cl)s1 15997704 NIUBNVKFALJABN-VGOFMYFVSA-N 282.752 3.457 50 50 CGGA CC(C)N(C(C)C)S(=O)(=O)c1ccc(N=C=S)cc1 19737324 LTLUOWYTEDQOLC-UHFFFAOYSA-N 298.433 3.228 50 50 CGGA C[C@H](Br)C(=O)Nc1ccccc1Cl 4578709 ZFCIPVPEDGFBPL-LURJTMIESA-N 262.534 3.062 50 50 CGGA CCc1nc2c(s1)[C@@H](N(C)C(=O)[C@H](C)Cl)CCC2 1875364642 PCYCRPNOLOKUSL-WPRPVWTQSA-N 286.828 3.169 50 50 CGGA N#CC(C#N)=CNc1ccc(NC(=O)c2cccs2)cc1 2549919 QMOGUCMVSJTHSC-UHFFFAOYSA-N 294.339 3.343 50 50 CGGA Cc1ccc(Cc2cnc(NC(=O)CCl)s2)cc1 134133 KWRWWLMPBKYRKU-UHFFFAOYSA-N 280.780 3.220 50 50 CGGA C=C(C)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1 183890 WHJNAZDBAZNWGM-ZDUSSCGKSA-N 284.384 3.335 50 50 CGGA FC(F)(F)C(F)(F)CCI 2530893 PPXVPFPTMXFUDE-UHFFFAOYSA-N 273.970 3.009 50 50 CGGA C/C(CCC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C)=N/NC(N)=O 100371812 YALFBPKIPIVCOZ-FAGSTBQISA-N 265.401 3.273 50 50 CGGA Cc1ccc(NC(=O)[C@H](C)Br)c(C)c1 32919934 NIGPMPURVZBYTB-VIFPVBQESA-N 256.143 3.025 50 50 CGGA CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)C12CC(C1)C2 199775983 FEPHQWPVQIMVGG-UHFFFAOYSA-N 298.383 3.216 50 50 CGGA N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(N)=S 467429 OCQIUXJYXGAQGQ-JXMROGBWSA-N 299.311 3.048 50 50 CGGA COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C(C#N)C#N)o1 432154 DPMXWISTWTZGSR-UHFFFAOYSA-N 295.254 3.294 50 50 CGGA Fc1cc(CBr)cc(C(F)(F)F)n1 238586323 ASNLBXHKMBFJOM-UHFFFAOYSA-N 258.012 3.134 50 50 CGGA N#C/C(=C\c1ccc(-c2ccccc2C#N)o1)C(N)=S 2884920 QOMCHYKHAVHNTE-YRNVUSSQSA-N 279.324 3.011 50 50 CGGA O=C(Cc1ccccc1)NNc1cccc(Cl)c1 249622 SQNCICZCMAXQIX-UHFFFAOYSA-N 260.724 3.026 50 50 CGGA biogenic O=CC(C=O)=C1Sc2ccccc2N1Cc1ccccc1 308001 VLLUFTWJYOKKQM-UHFFFAOYSA-N 295.363 3.408 50 50 CGGA C[C@H](Cl)C(=O)Nc1ccc(Br)cc1F 8183713 GMGBYEGRJYBWOL-YFKPBYRVSA-N 280.524 3.154 50 50 CGGA C[C@@H]1[C@@H](C)[C@](OC(=O)CCl)(c2ccccc2)CCN1C 253470787 DQXDAFWSTAKYBS-IOASZLSFSA-N 295.810 3.024 50 50 CGGA COc1ccc(C(=O)N/N=C/c2cccc(Cl)c2)cc1 175875 PBBCUSGHRCURAR-LICLKQGHSA-N 288.734 3.113 50 50 CGGA N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccccc1Cl 196770 KBIBJHDUEVADKZ-OAHLLOKOSA-N 297.745 3.140 50 50 CGGA CCOCCP(=O)(c1ccccc1)c1ccccc1 3105911 DJHRULHYHZYVCO-UHFFFAOYSA-N 274.300 3.037 50 50 CGGA O=C(CCl)N1N=C(c2ccco2)C[C@H]1c1ccsc1 253433540 YBJNYXJEAUITTJ-NSHDSACASA-N 294.763 3.258 50 50 CGGA CC(=O)NNc1nc(-c2cccc3ccccc23)cs1 443079 PTJLYBDMQYJEEE-UHFFFAOYSA-N 283.356 3.426 50 50 CGGA CCCC(=O)N/N=C/c1c(Cl)cccc1Cl 4760442 QQDMVPOPXKQDBU-VGOFMYFVSA-N 259.136 3.244 50 50 CGGA O=C(N/N=C1/CCc2c(Cl)cccc21)c1ccoc1 140106829 OVMLARWEBYPFKC-SSZFMOIBSA-N 274.707 3.013 50 50 CGGA O=C(CCCl)c1ccc(Br)cc1F 90500544 WOTJEJVXXNFKHT-UHFFFAOYSA-N 265.509 3.400 50 50 CGGA CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](CBr)C1 207412720 XJDUGNDNCQMMBK-ZJUUUORDSA-N 292.217 3.465 50 50 CGGA O=C(CCCl)Nc1ccccc1C(F)(F)F 2870935 XTAFQSKBUBILAB-UHFFFAOYSA-N 251.635 3.273 50 50 CGGA O=C(CCBr)Nc1cc2c(s1)CCCC2 1775964903 KUXGYAZVFIVXSY-UHFFFAOYSA-N 288.210 3.350 50 50 CGGA N#CC1=C(N)OC(c2ccccc2)=C(C#N)[C@@H]1c1ccco1 395907 ZRFSIUCIEKOIIM-HNNXBMFYSA-N 289.294 3.022 50 50 CGGA CCCCCCCC(=O)NNC(=O)/C=C/c1ccccc1 2766168 IIGWMBHVGZGBBE-BUHFOSPRSA-N 288.391 3.208 50 50 CGGA [C-]#[N+]c1cccc(C(Br)Br)n1 261508943 YMDOGTSTSVAFHR-UHFFFAOYSA-N 275.931 3.421 50 50 CGGA C[C@H](Cl)C(=O)N1CC[C@@H](c2cc3ccccc3[nH]2)C1 1875366922 YIYIQCZFFUIMME-CMPLNLGQSA-N 276.767 3.111 50 50 CGGA CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)CCl 2561187 FZWQHSCPNKTIRU-ZDUSSCGKSA-N 297.782 3.135 50 50 CGGA O=C(CCCl)Nc1nc(-c2ccccc2)cs1 2027883 HLHXOPNLYVGAHN-UHFFFAOYSA-N 266.753 3.378 50 50 CGGA O=C(N/N=C/[C@H]1CC=CCC1)c1ccc(Cl)cc1O 433214 STJNTZYDXZZCOO-JSJZUPIVSA-N 278.739 3.118 50 50 CGGA Cc1[nH]c2ccccc2c1/C=N\NC(=O)C1[C@H]2CCCC[C@H]12 100050600 HLFBRTPUFOHYPN-SYZXRTBESA-N 295.386 3.363 50 50 CGGA N#C/C(=C\c1ccccc1F)c1nc2ccccc2c(=O)[nH]1 9108908 LRMOIRXGTBDLAD-FMIVXFBMSA-N 291.285 3.126 50 50 CGGA O=C1N(Cc2ccccc2)C[C@@H]2C[C@@H](CCl)C[C@]12Cl 4100341 IMXVSNKCBRHKLK-VNHYZAJKSA-N 298.213 3.271 50 50 CGGA O=C(N/N=C\c1cccs1)c1ccccc1-n1cccc1 5799699 NHCYTOCOOFBVJY-ATVHPVEESA-N 295.367 3.303 50 50 CGGA C[C@@H](Cl)C(=O)NCc1cnc(-c2ccccc2)s1 1875364948 YWHWFINSGLEKTJ-SECBINFHSA-N 280.780 3.054 50 50 CGGA Cc1ccc2c(c1)c1c(n2C[C@@H](O)CCl)C(=O)CCC1 333971 NYIJGEIVJNPFEI-NSHDSACASA-N 291.778 3.068 50 50 CGGA CN(C(=O)CCl)[C@H](CCc1ccccc1)C(F)(F)F 1875379888 YYDIKTIRIUZHPG-LLVKDONJSA-N 293.716 3.247 50 50 CGGA BrCc1ccsc1Br 2577988 ZPWPMAAPQZXPDD-UHFFFAOYSA-N 255.962 3.406 50 50 CGGA in-vitro CCOc1ccccc1/C=N/NC(=O)C1CCCCC1 511109 BLYYBQNZMPTRSV-SFQUDFHCSA-N 274.364 3.116 50 50 CGGA O=S1(=O)C[C@]23CCCCC[C@]2(CCCC3)[C@@H]1Cl 45070251 DOUPBQQCXWICIO-UPJWGTAASA-N 276.829 3.491 50 50 CGGA CCCCOC(=O)/C(C#N)=C\c1ccc2oncc2c1 585086312 UQORJMSVNCVTDI-GHXNOFRVSA-N 270.288 3.078 50 50 CGGA COc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)c1 60253 GVPLSPCTLXNDJT-LICLKQGHSA-N 288.734 3.113 50 50 CGGA CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1 178142 FYMSTZNSPUYHIB-SNVBAGLBSA-N 278.764 3.042 50 50 CGGA O=S(=O)(Nc1ccccc1)c1ccc(N=C=S)cc1 19737314 OXBBXQCKKOGZCB-UHFFFAOYSA-N 290.369 3.222 50 50 CGGA O=C(CCl)N(Cc1ccoc1)C1CCCCC1 1875364015 HNKJLVYDZHCHGY-UHFFFAOYSA-N 255.745 3.180 50 50 CGGA O=C(N/N=C/c1cccc(Cl)c1)c1cccc(F)c1 298632 JGJXOJIPMCLUCH-RQZCQDPDSA-N 276.698 3.243 50 50 CGGA O=C1OCC2=C1C[C@@H](Br)c1ccccc1CC2 3053531 UQSKMQBGJCDULU-CYBMUJFWSA-N 293.160 3.312 50 50 CGGA CC(C)C[C@@H]1[C@H]2C[C@@H](C)CC=C2C(C#N)=C(N)C1(C#N)C#N 106234800 IUHJLXRLZKXXEP-DUVNUKRYSA-N 294.402 3.405 50 50 CGGA C[C@@H](CNC(=O)/C(C#N)=C\c1ccco1)c1ccsc1 221812155 ZARGXDXLALRJDS-HKMIMPICSA-N 286.356 3.168 50 50 CGGA COc1ccc(CBr)c(C(F)(F)F)n1 238378781 YHEZPJLJVFMJLE-UHFFFAOYSA-N 270.048 3.004 50 50 CGGA O=C(CCCC[C@H]1CCSS1)NCCn1cccc1 267200297 LKUZQPMERPEQIR-ZDUSSCGKSA-N 298.477 3.318 50 50 CGGA C[C@@H](Cl)C(=O)NCc1csc2ccccc12 1875363480 DKSBGCNHUCBEIO-MRVPVSSYSA-N 253.754 3.145 50 50 CGGA Cc1ccsc1/C=N/NC(=O)[C@H]1C[C@H]1c1ccccc1 4188130 XRFPITCRIFMQBR-JUACWREWSA-N 284.384 3.310 50 50 CGGA C/C(=N/NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccs1 4946764 GSMWWBMUSIFMDC-ILWXYBAZSA-N 284.384 3.392 50 50 CGGA CCc1ccc(/C=N/NC(=O)c2cccs2)cc1 228030 UZTMMGUQMYOHKF-XNTDXEJSSA-N 258.346 3.074 50 50 CGGA N#CC(NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1)=C(Cl)Cl 1775975360 HVPCIHAWBSRUHO-NXEZZACHSA-N 299.132 3.216 50 50 CGGA N#CC(NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1)=C(Cl)Cl 1775975364 HVPCIHAWBSRUHO-ZJUUUORDSA-N 299.132 3.216 50 50 CGGA COc1cc(Cl)c(C)c(NC(=O)[C@@H](C)Cl)c1 74941418 XJGVEJFPPSWFAS-SSDOTTSWSA-N 262.136 3.223 50 50 CGGA CC(C)(C)OC(=O)COCCOCCCCCCCl 1534210423 GRFAVKLYDZBECC-UHFFFAOYSA-N 294.819 3.161 50 50 CGGA O=C(Cl)CC1CCN(C(=O)OCc2ccccc2)CC1 146173140 PSZQPESLSOKKES-UHFFFAOYSA-N 295.766 3.191 50 50 CGGA CC[C@@H](Br)C(=O)Nc1cc(F)ccc1F 32919962 GYSGKGJEUKIUAZ-SSDOTTSWSA-N 278.096 3.077 50 50 CGGA O=C(Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 2578568 RRWHGDGMPQFABA-UHFFFAOYSA-N 251.625 3.234 50 50 CGGA N#C/C(=C/c1ccccc1[N+](=O)[O-])c1ccc(C(=O)O)cc1 4867133 JYMRKGGVWDANLA-ZROIWOOFSA-N 294.266 3.357 50 50 CGGA COC(=O)c1ccc(Cl)cc1CBr 72187472 LGLIPOQXOPCFRN-UHFFFAOYSA-N 263.518 3.022 50 50 CGGA in-vitro CCCCC[C@H]1CC[C@H](c2ccc(B(O)O)cc2)CC1 245228185 JFESOTHKCUMHGA-SHTZXODSSA-N 274.213 3.221 50 50 CGGA in-vitro CC(/C=C/C=C/c1ccccc1)=N\NC(=O)c1ccccn1 12343248 CEJIQIZVJPJIFI-MAVSYLMJSA-N 291.354 3.457 50 50 CGGA N#CC1=C2CCCC[C@@H]2C(=O)n2c1nc1ccccc12 4694662 GWTFSDUDEVGULZ-NSHDSACASA-N 263.300 3.157 50 50 CGGA CCOC(=O)N/N=C(/C)c1ccc2ccccc2c1 4948314 AVKJXYTWDZZYOG-WJDWOHSUSA-N 256.305 3.310 50 50 CGGA C[C@@H](Cl)C(=O)Nc1ccc(C(F)(F)F)cc1 3887330 FPRVGJQLWPFYOU-ZCFIWIBFSA-N 251.635 3.271 50 50 CGGA CC[C@@H](Br)C(=O)Nc1cccc(C(C)=O)c1 9304496 HHAQKXVZYHXZKI-LLVKDONJSA-N 284.153 3.001 50 50 CGGA CCOc1ccccc1C1=NO[C@@H]([C@H](C)Cl)C1 217005369 AXYFIOVJBUADAQ-TVQRCGJNSA-N 253.729 3.206 50 50 CGGA O=C=Nc1ccc(Br)cc1C(F)(F)F 2560444 UZFHKVBCBXPKKE-UHFFFAOYSA-N 266.016 3.435 50 50 CGGA in-vitro CCCCCC(=C/c1ccccc1)/C=N/NC(N)=O 2837273 OBQWMQFHRNAQDD-HLXKFHDQSA-N 259.353 3.304 50 50 CGGA CC(/C=N/NC(=O)Cc1cccs1)=C\c1ccccc1 5262338 VBLPQSQNLKNCHD-MIBYRVNNSA-N 284.384 3.496 50 50 CGGA Cc1ccsc1/C=N/NC(=O)[C@@H]1C[C@H]1c1ccccc1 62453 XRFPITCRIFMQBR-KQLQBFTNSA-N 284.384 3.310 50 50 CGGA NC(=O)N/N=C/c1ccc(-c2cccc3ccccc23)o1 22204990 QALZSGKVOSIISZ-VCHYOVAHSA-N 279.299 3.102 50 50 CGGA CCOC(=O)[C@H](Br)c1ccccc1Cl 71771238 SEFGBXSZQZZZEE-SECBINFHSA-N 277.545 3.339 50 50 CGGA CC1=CC[C@]23CCCC[C@@]2(C1)[C@H](Cl)S(=O)(=O)C3 45070710 UQGLEFDMYZPYIK-FRRDWIJNSA-N 274.813 3.267 50 50 CGGA Cc1cc(C)cc(O[C@H](C)C(=O)NN=CCC(C)C)c1 245391967 SBKBUULMXGOCAV-CQSZACIVSA-N 276.380 3.219 50 50 CGGA O=C(N/N=C/c1cccc(F)c1)c1cccc(Cl)c1 439996 DJAHDHDQVZLSGN-RQZCQDPDSA-N 276.698 3.243 50 50 CGGA COc1ccc(/C=N/NC(=O)c2ccccc2)cc1Cl 4089566 UOTMKBHPGPZPAW-LICLKQGHSA-N 288.734 3.113 50 50 CGGA CC(C)C[C@@H](Br)C(=O)OC(C)(C)C 135813032 GUEMBXJPCMQKJW-MRVPVSSYSA-N 251.164 3.138 50 50 CGGA in-vitro Cc1ccc(C[C@H](NC(=O)CCl)c2ccccn2)cc1 1116437547 GWDVUOWQVGSXOD-HNNXBMFYSA-N 288.778 3.029 50 50 CGGA COc1ccc(F)c(CBr)c1Cl 2527868 BIXHHCSLGATAOQ-UHFFFAOYSA-N 253.498 3.383 50 50 CGGA CCc1nc2c(s1)[C@H](N(C)C(=O)[C@H](C)Cl)CCC2 1875364641 PCYCRPNOLOKUSL-WCBMZHEXSA-N 286.828 3.169 50 50 CGGA O=C(Cl)c1cn(-c2ccccc2)nc1C(F)(F)F 148759004 HUXFSBNPITUHPU-UHFFFAOYSA-N 274.629 3.270 50 50 CGGA NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 406587 OPYVMDQJLITFPM-UHFFFAOYSA-N 297.745 3.159 50 50 CGGA in-vitro O=C=NC1CCC(CC2CCC(N=C=O)CC2)CC1 1850399 KORSJDCBLAPZEQ-UHFFFAOYSA-N 262.353 3.166 50 50 CGGA in-vitro Cc1scc(C(=O)N/N=C/c2cccs2)c1C 1009106 SLJWRVCLKVFJBX-AWNIVKPZSA-N 264.375 3.190 50 50 CGGA C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C\c1cccs1 100100015 VIWXNMVNVMMHTM-SEAWMAFVSA-N 262.378 3.025 50 50 CGGA COc1nccc(C(F)(F)F)c1CBr 238422894 QMUKFNQWMRRLIO-UHFFFAOYSA-N 270.048 3.004 50 50 CGGA CC(C)(C)OC(=O)NCC1(CBr)CCCC1 168862645 XCLFEXPXRMCNSY-UHFFFAOYSA-N 292.217 3.466 50 50 CGGA N#CC(C#N)=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 324305 PINYKTPHYJLDDU-UHFFFAOYSA-N 265.228 3.285 50 50 CGGA Cl[C@@H]1[C@@H]2[C@@H]3[C@H]4[C@@H]2[C@@H]2[C@@H]1[C@H]1CC[C@H]5[C@H]([C@H]4[C@H]2[C@H]15)[C@H]3Cl 254764970 SMHJZFQASXJKMV-HAKIIMPMSA-N 281.226 3.471 50 50 CGGA CC(/C=C/c1ccco1)=N/NC(=O)c1ccc([N+](=O)[O-])cc1 431843 HNXADHHCJGGLOR-KTSCLACCSA-N 299.286 3.007 50 50 CGGA O=C(N/N=C/c1ccc(Cl)cc1)c1ccccc1F 431855 BCKQVEYRLQVSOD-RQZCQDPDSA-N 276.698 3.243 50 50 CGGA O=C(OCc1ccccc1C(=O)Cl)c1ccccc1 2584363 UDEQFYWNFHWPRH-UHFFFAOYSA-N 274.703 3.423 50 50 CGGA O=C(NN=C1c2ccccc2-c2ccccc21)c1ccncc1 59368 LFRSGTBEHZEMIA-UHFFFAOYSA-N 299.333 3.244 50 50 CGGA O=C(NNc1ccccc1)c1ccccc1Br 299161 PNRYFEFHOZEZPP-UHFFFAOYSA-N 291.148 3.206 50 50 CGGA CC(/C=N/NC(=O)c1csc(C)c1)=C\c1ccco1 2744117 OMEWJJKBQNQXCY-QALZRTLFSA-N 274.345 3.469 50 50 CGGA C[C@H](Br)[C@H](C)OC(=O)c1ccccc1 43763547 WMEKOZYOIMEIMM-IUCAKERBSA-N 257.127 3.015 50 50 CGGA COc1ccccc1-c1noc(C2CC(Cl)C2)n1 888095705 TWHCVSCDBINIRH-UHFFFAOYSA-N 264.712 3.230 50 50 CGGA CC[C@H](NC(=O)CCl)c1ccc(Cl)s1 1319674432 MMPYBJKFZFYWQE-LURJTMIESA-N 252.166 3.208 50 50 CGGA ClCc1nc(-c2cccc(Br)c2)no1 4207355 KCMRCFPJJKBQEF-UHFFFAOYSA-N 273.517 3.238 50 50 CGGA Cc1ccsc1/C=N/NC(=O)c1csc(C)c1C 1009102 JKDUNQQJMZIEML-MKMNVTDBSA-N 278.402 3.499 50 50 CGGA C[C@H](Cl)C(=O)NC(C)(C)c1cccc(Cl)c1F 1875380163 GRLMGORFLUHNJN-ZETCQYMHSA-N 278.154 3.458 50 50 CGGA CCOc1c(Br)cc(C(=O)Cl)cc1OC 40451475 OYLMRPYFVZUXOH-UHFFFAOYSA-N 293.544 3.235 50 50 CGGA C=C1CC(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)C1 3110295 ZPULKXKSTGFQJT-OMCISZLKSA-N 299.157 3.115 50 50 CGGA C/C(=N\NC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 4576164 QJOPQYORTGNFTB-GZTJUZNOSA-N 298.302 3.141 50 50 CGGA CCn1cc(CN(C(=O)CCl)[C@H]2CC[C@H](C)CC2)cn1 1875381667 CPTKUMPGCSGGBI-MQMHXKEQSA-N 297.830 3.049 50 50 CGGA Cc1cc(Nc2nc(C)c(CCCl)s2)n(C)n1 1616039520 PWGRHJQUWILOTA-UHFFFAOYSA-N 270.789 3.018 50 50 CGGA C[C@H](Cl)C(=O)Nc1ccccc1Br 19488651 LOJODIYHVDULGA-LURJTMIESA-N 262.534 3.015 50 50 CGGA O=C(NN=C1CCCCC1)c1ccc(Cl)cc1 260335 SXHBMWCZOSEQQU-UHFFFAOYSA-N 250.729 3.390 50 50 CGGA N#CC(C#N)=Cc1c[nH]c2ccc(Br)cc12 407616 YFPFVEHDYGLGJX-UHFFFAOYSA-N 272.105 3.361 50 50 CGGA O=C(N/N=C/c1ccc(Cl)cc1)[C@@H]1[C@H]2CCCC[C@H]21 252320864 ZICXPCYZGYWGFM-VCPHLFOBSA-N 276.767 3.226 50 50 CGGA N#Cc1cccc(CBr)c1Br 115619327 SZLJWMUBSCYTLD-UHFFFAOYSA-N 274.943 3.216 50 50 CGGA CC(/C=N/NC(=O)Cc1ccccc1)=C\c1ccccc1 12342807 AASDOYMJKKBJFL-GXFGLJNISA-N 278.355 3.435 50 50 CGGA CCCCCC(=O)N/N=C/c1ccccc1Cl 2748635 MFTIKEMXNGDQLX-XNTDXEJSSA-N 252.745 3.370 50 50 CGGA CCOC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1 4982620 GBAPKZNVMQWAOT-QINSGFPZSA-N 284.359 3.147 50 50 CGGA Cc1cc(C(=O)N/N=C/c2cccs2)c2ccccc2n1 253996 NAFOHXZWFQUNMM-LICLKQGHSA-N 295.367 3.369 50 50 CGGA F[C@@H](Br)[C@H](Br)C(F)(F)F 95682158 KNBBSZLIGCLFTQ-NHYDCYSISA-N 273.849 3.003 50 50 CGGA CC(C)C[C@H]1[C@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 34954481 ZVVCSBTWLDMAIV-ZFWWWQNUSA-N 280.375 3.159 50 50 CGGA CC(C)c1cc(C(=O)N/N=C/c2cccnc2)cs1 373971 FPPSBYQFUZCPJI-LZYBPNLTSA-N 273.361 3.030 50 50 CGGA O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 281596 PCOGDBDOULFSKE-UHFFFAOYSA-N 277.663 3.467 50 50 CGGA FC(F)C(F)(F)C(F)(F)C(F)(F)CCl 107515399 FNKQPEGZNICUDK-UHFFFAOYSA-N 250.516 3.396 50 50 CGGA O=[N+]([O-])c1ccc(Cl)cc1CBr 47818659 BHAYQRXZTHPSEK-UHFFFAOYSA-N 250.479 3.143 50 50 CGGA in-vitro O=P(c1ccccc1)(c1ccccc1)N1[C@H]2CC=CC[C@@H]21 100498420 ZIWDCXWGUHABIE-ROUUACIJSA-N 295.322 3.318 50 50 CGGA C[C@@H](Br)C(=O)Nc1ccc(Cl)cc1 32919990 YUNYBWXZHGUNNQ-ZCFIWIBFSA-N 262.534 3.062 50 50 CGGA CCOC(=O)N/N=C(\C)C12CC3CC(CC(C3)C1)C2 4955661 BIMVFEKSHXRQLA-MHWRWJLKSA-N 264.369 3.325 50 50 CGGA CC[C@H](Br)C(=O)NCc1ccccc1Cl 32919917 JBIIAYPILKRDLU-VIFPVBQESA-N 290.588 3.130 50 50 CGGA CC(/C=C/c1ccccc1)=N\NC(=O)COc1ccccc1 4953926 IFWPKOSBEWZTNF-RUWPHTKCSA-N 294.354 3.271 50 50 CGGA Fc1cc(Br)ccc1-c1noc(CCl)n1 97756678 ZNHUQTOUEZXQSW-UHFFFAOYSA-N 291.507 3.377 50 50 CGGA CCOC1=C(C#N)C(=O)C[C@@H](c2ccc(C)s2)C1 95117805 CPBJUCIKSKDZAC-SNVBAGLBSA-N 261.346 3.317 50 50 CGGA O=C(N/N=C/c1ccccc1Cl)c1ccccc1 130688 DNLLPFIDUQYSRL-MHWRWJLKSA-N 258.708 3.104 50 50 CGGA CCNC(=O)/C(C#N)=C/c1ccc(Cl)c(Cl)c1 98935 BMWPXNFTABKUCB-WEVVVXLNSA-N 269.131 3.036 50 50 CGGA CCOc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1 559908 MSUSMSOWXLCTLO-LDADJPATSA-N 282.343 3.158 50 50 CGGA C[C@H](Cl)C(=O)N1CCN(C2CC2)c2ccc(Cl)cc21 1875380140 GFXVMVUMFNZQQT-VIFPVBQESA-N 299.201 3.283 50 50 CGGA CCc1ccc(/C=N/NC(=O)c2csc(C)c2)s1 2743870 LHADPCBMCNMGRA-VGOFMYFVSA-N 278.402 3.444 50 50 CGGA O=C(N/N=C/c1ccc(F)cc1)c1cccc(Cl)c1 254356 CZFAGSRIGPJNDX-RQZCQDPDSA-N 276.698 3.243 50 50 CGGA O=C(Cl)c1ccc(Br)c(F)c1F 71792047 WYZKTBOHUFVRGT-UHFFFAOYSA-N 255.445 3.106 50 50 CGGA CC(C)(CO[C@H]1CCCCO1)CO[Si](C)(C)C 169828676 NAEIWZXBCFBOHX-LBPRGKRZSA-N 260.450 3.407 50 50 CGGA CC(=O)Nc1ccc(S(=O)(=O)SC2CCCC2)cc1 391061 TXWWQZQXGOHHCE-UHFFFAOYSA-N 299.417 3.010 50 50 CGGA CC(C)(C)[Si](C)(C)OCc1csc(C=O)n1 584880116 YVRNCAYFGOFEAD-UHFFFAOYSA-N 257.431 3.477 50 50 CGGA CC(C)(C)c1cc(C(=O)N/N=C/C=C/c2ccccc2)[nH]n1 17162311 QQFCGFRFYDAPNQ-PFMZDYLOSA-N 296.374 3.136 50 50 CGGA Br[C@H]1CSc2sc3ccccc3[n+]2C1 3107030 OFNUBALDGKDQTF-SSDOTTSWSA-N 287.227 3.058 50 50 CGGA O=C(Cl)c1ccc(Cl)c(Br)c1 36533200 CHOSHMAFWKKQQF-UHFFFAOYSA-N 253.910 3.482 50 50 CGGA O=S1(=O)CC23CCCCC2(CCCC3)[C@@H]1Cl 45070399 KWZVFWJTIWKFQI-VOMCLLRMSA-N 262.802 3.101 50 50 CGGA CC(C)(C)OC(=O)N1CC[C@H](CCBr)C1 95083453 SEFXLCQXQDYFPR-VIFPVBQESA-N 278.190 3.028 50 50 CGGA CCc1ccc(/C=N/NC(=O)Cc2cccs2)cc1 520560 GDCVCVIIZNQOPR-LFIBNONCSA-N 272.373 3.003 50 50 CGGA Cc1cc2c(cc1C)/C(=N/NC(=O)c1ccncc1)CCC2 246917 IAOAGZAMNZXCQZ-LVZFUZTISA-N 293.370 3.169 50 50 CGGA CCCc1cc(C(=O)N/N=C/c2ccc(C)o2)cs1 2735676 XODLLWQUZVXIAV-OVCLIPMQSA-N 276.361 3.366 50 50 CGGA CC(C)c1ccc(/C=N/NC(=O)c2ccco2)cc1 381263 LAHULJJLKVINFL-MHWRWJLKSA-N 256.305 3.167 50 50 CGGA COc1ccccc1/C=C(\C#N)C(=O)c1ccccc1 5066574 KZHSJEJCIOWDDR-RVDMUPIBSA-N 263.296 3.485 50 50 CGGA C=C(C(=O)OC)[C@H](C)CO[Si](C)(C)C(C)(C)C 169834648 NOYSOONZMCCMDR-SNVBAGLBSA-N 258.434 3.374 50 50 CGGA Cc1ccc(NC(=O)[C@@H](C)Br)cc1Cl 16849142 RNJQLFCPEGDTJW-SSDOTTSWSA-N 276.561 3.370 50 50 CGGA O=C=Nc1cc(OC(F)(F)F)ccc1Br 1848350312 HOLDGGLSSVHPQK-UHFFFAOYSA-N 282.015 3.315 50 50 CGGA O=C(CCl)Nc1nc2ccc(Cl)cc2s1 236903 XUVJLNSGXUWBNT-UHFFFAOYSA-N 261.133 3.127 50 50 CGGA COc1ccc(Br)c(CBr)c1 2555381 MURVUTUZSUEIGI-UHFFFAOYSA-N 279.959 3.353 50 50 CGGA in-vitro Cc1cccc(OCC(=O)NN=C2CCC(C)CC2)c1 4366564 CKISPGXTSWCPTB-UHFFFAOYSA-N 274.364 3.056 50 50 CGGA O=C(CCl)Nc1ccc(OCc2ccccc2)cc1 297858 TUTQONMCEZLRPX-UHFFFAOYSA-N 275.735 3.443 50 50 CGGA in-vitro CCCSC1=C(C#N)[C@H](c2ccc(F)cc2)CC(=O)N1 9111043 DAFORVDPCPMSEC-LBPRGKRZSA-N 290.363 3.308 50 50 CGGA N#CC1=C[C@H]2C[C@H]1c1ccc(I)cc12 101048947 HIZRCBRFZUHSPH-WRWORJQWSA-N 293.107 3.326 50 50 CGGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C\c1cccs1 252320822 VIWXNMVNVMMHTM-UYPZGMOWSA-N 262.378 3.025 50 50 CGGA CCC/C(=N/NC(=O)c1ccc(O)cc1)c1ccccc1 4964024 PKJJUANCNSSILO-VLGSPTGOSA-N 282.343 3.326 50 50 CGGA C[C@H](Cl)C(=O)Nc1cccc(-c2nc(C3CC3)no2)c1 1875364663 PQLNBQHKZTYCFP-QMMMGPOBSA-N 291.738 3.180 50 50 CGGA CSc1ccc(/C=N/NC(=O)C2[C@@H]3CCCC[C@@H]23)cc1 100003592 CXKAIVXOXGMKDZ-DPOBWDHUSA-N 288.416 3.295 50 50 CGGA C[C@H](Cl)C(=O)N1CCn2cccc2[C@H]1c1ccccc1 1875363735 WFRNLXZHFAXHDJ-SWLSCSKDSA-N 288.778 3.047 50 50 CGGA ClCc1nnc(-c2cccc(Br)c2)o1 19471593 XKGWFTUQBXSVSK-UHFFFAOYSA-N 273.517 3.238 50 50 CGGA in-vitro O=C(N/N=C/c1cccs1)c1ccc2ncccc2c1 1390553 ZQNNFTJMHQQJCZ-LICLKQGHSA-N 281.340 3.060 50 50 CGGA C[Si](C)(C)C[C@@H](Cl)S(=O)(=O)c1ccccc1 169837862 FWXYPHDNPLLARA-NSHDSACASA-N 276.861 3.363 50 50 CGGA CN(C)NC(=O)N(c1ccccc1)c1ccccc1 71772909 AVHZOQVTXFRLLP-UHFFFAOYSA-N 255.321 3.011 50 50 CGGA Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc1 431696 MCYCJYBHWKDJPK-RQZCQDPDSA-N 288.734 3.118 50 50 CGGA Cc1ccc(CNC(=O)NNc2ccccc2)c(C)c1 2167458 PMIDTFGHEMKDPB-UHFFFAOYSA-N 269.348 3.130 50 50 CGGA O=[N+]([O-])c1cc(Cl)ccc1CBr 37594084 DJYOHIQKJHEBBB-UHFFFAOYSA-N 250.479 3.143 50 50 CGGA CCN(Cc1ccc(Cl)s1)C(=O)[C@H](F)Cl 2325898463 DLCSAVBHBMPADD-QMMMGPOBSA-N 270.156 3.284 50 50 CGGA CS[C@H]1CCCC[C@H]1NC(=O)NNc1ccc(F)cc1 888093192 SQMDPQKAIQKRRD-OLZOCXBDSA-N 297.399 3.126 50 50 CGGA CC(/C=C/c1ccccc1)=N\NC(=O)CNc1ccccc1 4711933 CGNLPFXNTJLICK-PAIIRMBHSA-N 293.370 3.304 50 50 CGGA C[C@@H](Cl)C(=O)Nc1ccc(Br)cc1F 8183717 GMGBYEGRJYBWOL-RXMQYKEDSA-N 280.524 3.154 50 50 CGGA CC(C)C[C@@H]1[C@H]2C[C@H](C)CC=C2C(C#N)=C(N)C1(C#N)C#N 252346863 IUHJLXRLZKXXEP-IVMMDQJWSA-N 294.402 3.405 50 50 CGGA N#C/C(=C\c1ccc(N2CCOCC2)o1)c1ccccc1 309902 CGIVHWUJFVEVKK-NTCAYCPXSA-N 280.327 3.180 50 50 CGGA CCc1c(C(=O)N/N=C/c2ccc(C)o2)csc1C 373870 ZNVOUFPDZOPNAX-VIZOYTHASA-N 276.361 3.284 50 50 CGGA CCc1ccc(/C=N/NC(=O)[C@]2(C)CC2(Cl)Cl)cc1 6489872 XYWXYOXSGCCDLB-TVYFDWKESA-N 299.201 3.283 50 50 CGGA O=C(N/N=C/c1c(F)cccc1Cl)c1cccs1 381451 XDXFTUFXEYBBBN-VIZOYTHASA-N 282.727 3.305 50 50 CGGA Cc1cccc(NC(=O)/C(C#N)=C\c2ccccc2O)c1 5023535 YHLFMUWKEXBUEC-UVTDQMKNSA-N 278.311 3.246 50 50 CGGA Cc1cccc(-n2c(CCl)nc3ccccc3c2=O)c1 5755863 RTLCWMXZJQHZGT-UHFFFAOYSA-N 284.746 3.433 50 50 CGGA Cc1ccc(OCCOCCBr)cc1C 2896685 JQBIZKOWEFBJRE-UHFFFAOYSA-N 273.170 3.094 50 50 CGGA C/C(=N\NC(=O)Cc1cccs1)c1ccc(Cl)cc1 5135222 ZQRQVKSJVCTPOP-MHWRWJLKSA-N 292.791 3.484 50 50 CGGA Cc1cc(NC(=O)[C@@H](C)Br)ccc1Cl 41672540 ASRXGIXUGOFKDX-SSDOTTSWSA-N 276.561 3.370 50 50 CGGA O=C(Cc1ccccc1)N/N=C/c1cccc(Cl)c1 298543 FAIXFZFTKRNHPN-GZTJUZNOSA-N 272.735 3.033 50 50 CGGA C[C@@H](NC(=O)/C(C#N)=C/c1ccco1)c1ccccc1 227220 PZKTUROORYRIQT-HLVNSREUSA-N 266.300 3.064 50 50 CGGA O[C@@](c1ccccc1)(C(Cl)Cl)C(F)(F)F 100048585 AAJFTUIEAYJREB-QMMMGPOBSA-N 259.054 3.240 50 50 CGGA O=C(Cl)C=Cc1ccc(C=CC(=O)Cl)cc1 1857777482 WQZLRZFBCIUDFL-UHFFFAOYSA-N 255.100 3.244 50 50 CGGA C[C@@H](NC(=O)CCl)c1cc2ccccc2s1 1875363462 BRJOJNKMPBZXFL-MRVPVSSYSA-N 253.754 3.317 50 50 CGGA C[Si](C)(C)Oc1ncc(F)c(O[Si](C)(C)C)n1 169746967 MPVQFVDWJDULDL-UHFFFAOYSA-N 274.444 3.043 50 50 CGGA C[C@H](c1ccccc1)[C@H]1C(C#N)=C(N)Oc2cc(N)ccc21 2939598 VYSXFKKNTHCCMU-PIGZYNQJSA-N 291.354 3.242 50 50 CGGA COC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1 134327 DQUZXAPJGTUJOU-DHZHZOJOSA-N 271.247 3.166 50 50 CGGA OC(CBr)(c1ccccc1)c1ccccc1 1698379 RRENRWFLQWLPKO-UHFFFAOYSA-N 277.161 3.317 50 50 CGGA CCOc1c(F)ccc(CBr)c1F 38529950 BOXYRQBXOYISBL-UHFFFAOYSA-N 251.070 3.258 50 50 CGGA CC(C)c1ccc(C=NNC(=O)c2ccc(O)cc2)cc1 252460819 IKPPIUNQWSRCOZ-UHFFFAOYSA-N 282.343 3.280 50 50 CGGA C[C@@H]1CSc2ccccc2N(C(=O)CCl)C1 1775999628 RRMDXWOPKWEXPG-VIFPVBQESA-N 255.770 3.000 50 50 CGGA C=CCOc1ccccc1/C=N/NC(=O)c1ccc(C)cc1 3097522 VTGZSJWWRKINNU-CPNJWEJPSA-N 294.354 3.324 50 50 CGGA O=C(CBr)c1ccc(C(F)(F)F)c(F)c1 2243368 USBBZWYHNIANDV-UHFFFAOYSA-N 285.034 3.422 50 50 CGGA CC[C@@H](C)[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 6589213 MHGNTTOFBOVPFG-ZWNOBZJWSA-N 294.358 3.293 50 50 CGGA Fc1ccc(Cc2noc(CCl)n2)c(Cl)c1 62606605 CQTPWZHTHFFJMI-UHFFFAOYSA-N 261.083 3.192 50 50 CGGA BrC[C@@H]1CCCN(Cc2ccccc2)C1 79436704 KXZVDKLLZCMUKD-ZDUSSCGKSA-N 268.198 3.294 50 50 CGGA N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccccc1Cl 241603 BVQJOPLEWKEMBY-HNNXBMFYSA-N 298.729 3.264 50 50 CGGA O=C(N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1C[C@@H]1c1ccccc1 101633688 MAYMNKZQJBDATR-MLPYWGFESA-N 282.387 3.328 50 50 CGGA COc1ccc(-c2nc(CCl)c(C)o2)cc1OC 30677693 CWEJNAPEPLYACX-UHFFFAOYSA-N 267.712 3.406 50 50 CGGA O=C(CBr)c1ccc(C(F)(F)F)cc1F 2243363 NHVLVTWQEUHHBM-UHFFFAOYSA-N 285.034 3.422 50 50 CGGA in-vitro CC/C(=N/NC(=O)c1ccccc1C)c1ccc(O)cc1 297932 JDFNYRILDWAKHM-VLGSPTGOSA-N 282.343 3.245 50 50 CGGA O=C(NC(=S)Nc1cccc(Cl)c1)OCCCl 5942001 URWHLWXDMOEYDJ-UHFFFAOYSA-N 293.175 3.002 50 50 CGGA Cc1cc2ncn(C(=O)C(Cl)Cl)c2cc1C 442172 RPAOHGIYBJADOG-UHFFFAOYSA-N 257.120 3.097 50 50 CGGA O=C(CCc1ccccc1)N/N=C/[C@@H]1CC=CCC1 370575 XZAYVVKLXRWOIV-OVGFGYAMSA-N 256.349 3.078 50 50 CGGA Cc1cc(C)c(NC(=O)[C@@H](C)Br)c(C)c1 27903576 PFUNDKIYLSGFMW-SNVBAGLBSA-N 270.170 3.334 50 50 CGGA Cc1ccccc1/C=N/NC(=O)CCc1ccccc1 125161 LQHXKRKJQZHVGL-QGOAFFKASA-N 266.344 3.078 50 50 CGGA O=C(CBr)c1ccc(F)c(Cl)c1 2544770 JOCPGHGWUUBURW-UHFFFAOYSA-N 251.482 3.057 50 50 CGGA in-vitro COc1nc(C(F)(F)F)ccc1CBr 238357344 LMJANZXEVWKZRH-UHFFFAOYSA-N 270.048 3.004 50 50 CGGA N#C/C(=C\c1cccc(F)c1F)C(=O)NCc1ccccc1 209920798 HWVGAEIWSISISV-NTEUORMPSA-N 298.292 3.188 50 50 CGGA Cc1ccsc1/C=N/NC(=O)c1cccc(Cl)c1 95308 DZEJOVYESVFVMB-OVCLIPMQSA-N 278.764 3.474 50 50 CGGA Cc1ccsc1/C=N/NC(=O)Nc1ccccc1 261138 VVTAECLNQBMYGB-NTEUORMPSA-N 259.334 3.212 50 50 CGGA NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 2770160 TZUHPGPHBZGCON-UHFFFAOYSA-N 297.745 3.159 50 50 CGGA O=C(N/N=C/c1ccc(Cl)cc1)C1CCCCC1 580539 XLAAOLWBQADMOP-MHWRWJLKSA-N 264.756 3.370 50 50 CGGA CCOC(=O)NN=C1c2ccccc2-c2ccccc21 296702 HEOGTOTYLNJLDD-UHFFFAOYSA-N 266.300 3.166 50 50 CGGA Cc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)cc1C 2768743 OCIGMDQURXXBDW-UHFFFAOYSA-N 291.354 3.122 50 50 CGGA O=C(CCCl)Nc1ccc(Br)cc1 2023908 VZDHQIUBGSISCC-UHFFFAOYSA-N 262.534 3.017 50 50 CGGA O=C(N[C@@H](Cl)C(F)(F)F)OCc1ccccc1 1870699 MGDUFVWEIZNPGG-MRVPVSSYSA-N 267.634 3.040 50 50 CGGA Cc1cc(C)c(NC(=O)[C@H](C)Br)c(C)c1 27903584 PFUNDKIYLSGFMW-JTQLQIEISA-N 270.170 3.334 50 50 CGGA Cc1cc(C)c(/C=N/NC(=O)COc2ccccc2)c(C)c1 271279 QWZPGGZIRXSGLL-YBFXNURJSA-N 296.370 3.141 50 50 CGGA CC(C)C[C@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 34954479 ZVVCSBTWLDMAIV-HIFRSBDPSA-N 280.375 3.159 50 50 CGGA O=C(NNc1ccccc1)c1ccc2ncsc2c1 192758264 ASCKDEJCUOUYJB-UHFFFAOYSA-N 269.329 3.053 50 50 CGGA Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c(C)c1 22779568 RDHKOALIKWOSGV-KRWDZBQOSA-N 291.354 3.104 50 50 CGGA Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(O)c1 29866089 PFAGABDIFSWXOH-ZROIWOOFSA-N 278.311 3.246 50 50 CGGA F[C@@H](Br)CC(F)(F)Br 71872196 KUGXARLZCNNOIV-UWTATZPHSA-N 255.859 3.055 50 50 CGGA CCc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)s1 6125228 ZWQYBAYZAOQRBX-UHFFFAOYSA-N 297.383 3.129 50 50 CGGA Br[C@H]1C=C[C@H]2C=C[C@H]1C=C[C@@H]2Br 101037830 WYGQQLFFWLHGPJ-JXUBOQSCSA-N 289.998 3.442 50 50 CGGA Cc1cc(C(=O)N/N=C/c2cccc(Cl)c2Cl)no1 372868 BKMNQBJIZQQZOH-GIDUJCDVSA-N 298.129 3.054 50 50 CGGA BrCCc1ccc(Br)cc1 54711025 APTDRDYSJZQPPI-UHFFFAOYSA-N 263.960 3.387 50 50 CGGA in-vitro CCSC1=C(C#N)[C@H](c2ccc(C)s2)CC(=O)N1 278843 NUIYXMJAIHXYMY-SECBINFHSA-N 278.402 3.148 50 50 CGGA Nc1ccc(C(=O)N/N=C/c2cccc3ccccc23)cc1 136370 UAFOZCVFXDFNNX-UDWIEESQSA-N 289.338 3.186 50 50 CGGA O=C(N/N=C/c1c[nH]c2ccccc12)Nc1ccccc1 298195 ZTGYEQCABNKOMP-WOJGMQOQSA-N 278.315 3.324 50 50 CGGA N#CSC1(c2ccccc2)C(=O)c2ccccc2C1=O 2895759 UPWVPSNHRRCUBL-UHFFFAOYSA-N 279.320 3.175 50 50 CGGA CC1=NC(C#N)=C(C#N)N[C@H](c2ccc(Cl)cc2)C1 1384343 VCHSKESRCRYHLP-LBPRGKRZSA-N 270.723 3.094 50 50 CGGA CNN(C)C(=O)OCC1c2ccccc2-c2ccccc21 142654427 HKSUKHHLASCJJY-UHFFFAOYSA-N 282.343 3.002 50 50 CGGA N#C/C(=C\c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 70360 ZMKVENYUFQHGTA-NTUHNPAUSA-N 294.266 3.388 50 50 CGGA O=C(c1cccs1)C(Br)Br 334105 IZMIXWHNOFTCSY-UHFFFAOYSA-N 283.972 3.047 50 50 CGGA O=C(CBr)Cc1ccc(Cl)c(Cl)c1 84199276 QDXQRVMHTLDGOE-UHFFFAOYSA-N 281.964 3.500 50 50 CGGA CC(C)Oc1ccc(NC(=O)C(Cl)Cl)cc1 144382 PZEFVKNZOMVMNP-UHFFFAOYSA-N 262.136 3.216 50 50 CGGA CC[C@H](Br)C(=O)Nc1cc(C)ccc1C 9096056 KQZPDVNXBCUMIP-JTQLQIEISA-N 270.170 3.415 50 50 CGGA COC(=O)CCC[C@@H](Br)c1ccccc1 113559995 VFDHOEUTMYIPMF-LLVKDONJSA-N 271.154 3.466 50 50 CGGA C/C(=N\NC(=O)c1ccccn1)c1ccc2c(c1)CCCC2 4996822 JAWDDSTXLVJWBF-DEDYPNTBSA-N 293.370 3.114 50 50 CGGA Fc1cc(Br)ccc1CBr 2516084 XMHNLZXYPAULDF-UHFFFAOYSA-N 267.923 3.483 50 50 CGGA in-vitro O=[N+]([O-])c1ccc(OC(F)(F)[C@@H](F)Cl)cc1 2170678 SPBBECFWSJDTDU-SSDOTTSWSA-N 255.579 3.101 50 50 CGGA O=C(CBr)c1ccc2c(c1)CCCC2 4776268 WZNSNVNABYKOAU-UHFFFAOYSA-N 253.139 3.143 50 50 CGGA CCNC(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1 265672 GXJLWUOSMNWUKL-JLHYYAGUSA-N 256.349 3.027 50 50 CGGA O=C(Oc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 141011963 IICMBPLBSCZBTN-UHFFFAOYSA-N 259.217 3.173 50 50 CGGA FC(F)(F)c1ccc(-c2nc(CCl)no2)cc1 165450 IOVWIIJODVBCRC-UHFFFAOYSA-N 262.618 3.494 50 50 CGGA CCCCc1ccc(NC(=S)NNC(=O)CCC)cc1 6390544 UBDPKIVILYHMKF-UHFFFAOYSA-N 293.436 3.147 50 50 CGGA N#Cc1ccc(Br)cc1CBr 96300663 ULNJVDVXYVPGMB-UHFFFAOYSA-N 274.943 3.216 50 50 CGGA Br[C@@H]1CSc2sc3ccccc3[n+]2C1 3107029 OFNUBALDGKDQTF-ZETCQYMHSA-N 287.227 3.058 50 50 CGGA CCOc1ccc(NC(=O)[C@@H](Br)CC)cc1 266478 WUTMQQXLKSVBMQ-NSHDSACASA-N 286.169 3.197 50 50 CGGA CC(C)(C)OC(=O)NNCc1ccc(C(F)(F)F)cc1 34400848 YFDVSGHXEUIXLF-UHFFFAOYSA-N 290.285 3.235 50 50 CGGA O=C(Cl)c1cccc(Cl)c1Br 36533240 XWQZHBMGOSCGBQ-UHFFFAOYSA-N 253.910 3.482 50 50 CGGA FC(F)(F)c1cccc(-c2nnc(CCl)o2)c1 19279706 VZGBTQRFBSMTTA-UHFFFAOYSA-N 262.618 3.494 50 50 CGGA in-vitro CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2[C@H]1CC=CCC1 115469 DFIBLPWNKGOUGB-XHDPSFHLSA-N 298.386 3.326 50 50 CGGA biogenic,in-vitro O=C(N/N=C\c1ccc(F)cc1)c1cccc2cc[nH]c12 32678365 BHJCNJCLIHAOOF-GRSHGNNSSA-N 281.290 3.071 50 50 CGGA BrCc1ccccc1I 2560076 GQFITODJWOIYPF-UHFFFAOYSA-N 296.933 3.186 50 50 CGGA in-vitro CSc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1 62611 MDYLZIYPAUDJJL-QGOAFFKASA-N 298.411 3.491 50 50 CGGA Fc1nccc(CBr)c1C(F)(F)F 238599657 CVYARXHAJWLKSW-UHFFFAOYSA-N 258.012 3.134 50 50 CGGA CCOc1ccccc1C1=NO[C@H]([C@H](C)Cl)C1 217005360 AXYFIOVJBUADAQ-ZANVPECISA-N 253.729 3.206 50 50 CGGA CC1(C)OC(C)(C)c2c1sc(NC(=O)CCl)c2C#N 4769773 RLSWPWGSLVFGDB-UHFFFAOYSA-N 298.795 3.297 50 50 CGGA Oc1ccccc1P(c1ccccc1)c1ccccc1 100018200 HGHOYIFINVBZKO-UHFFFAOYSA-N 278.291 3.150 50 50 CGGA N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1cccnc1 289868 ARVOWROWLBHVLB-QGZVFWFLSA-N 299.333 3.453 50 50 CGGA C[C@@H]1CCC/C(=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)C1 252320805 UPXNXQWSYDTWFQ-BKRBPSJSSA-N 270.376 3.472 50 50 CGGA C[C@H](Cl)C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 1875363891 CVSNSQATPADGNN-RYUDHWBXSA-N 280.799 3.091 50 50 CGGA CC(C)Cc1ccc(C(=O)CBr)cc1 19843004 JQUBVKCMLJPLLH-UHFFFAOYSA-N 255.155 3.463 50 50 CGGA Oc1nc([C@H](F)Cl)nc2sc3c(c12)CCCC3 1615055583 HCIKRVXKKJSJOB-QMMMGPOBSA-N 272.732 3.483 50 50 CGGA CC(C)(C)[C@@H](N)CP(c1ccccc1)c1ccccc1 100005895 SGBNMEAXYLJQRV-KRWDZBQOSA-N 285.371 3.493 50 50 CGGA Fc1ncc(C(F)(F)F)cc1CBr 238594892 ZZXXDXOORBTEQV-UHFFFAOYSA-N 258.012 3.134 50 50 CGGA O=C(N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1C[C@H]1c1ccccc1 101633693 MAYMNKZQJBDATR-ZAQXIPPHSA-N 282.387 3.328 50 50 CGGA O=C(CCl)N(Cc1ccc2c(c1)CCO2)C1CCCC1 1319674403 LNFRQFFDISIXLB-UHFFFAOYSA-N 293.794 3.132 50 50 CGGA C/C(=N\NC(=O)c1cc(C)oc1C)c1ccccc1 228361 MAQQNXBZAVHGEP-LFIBNONCSA-N 256.305 3.050 50 50 CGGA Cc1cccc(CC2CCN(C(=O)CCl)CC2)c1 1875387018 JXLGZKTTWILFHL-UHFFFAOYSA-N 265.784 3.015 50 50 CGGA COc1ccc(-c2csc(NC(=O)[C@@H](C)Cl)n2)cc1 34800194 JPJKAJDVTKXUSZ-MRVPVSSYSA-N 296.779 3.385 50 50 CGGA in-vitro N[C@H]1CCCC[C@@H]1P(c1ccccc1)c1ccccc1 100006049 ZATLZEHZPXYMFE-ROUUACIJSA-N 283.355 3.389 50 50 CGGA COC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)cc1 290428 RJSBDWKXMJUPQT-LFIBNONCSA-N 263.296 3.434 50 50 CGGA Cc1ccccc1NC(=O)NNc1ccc(F)cc1 1068768 TXDAVACGAVWGIV-UHFFFAOYSA-N 259.284 3.283 50 50 CGGA FC(F)(F)[C@H](Br)[C@H](Cl)Br 103527656 JPHVAZGSOZCLPO-NCGGTJAESA-N 290.304 3.272 50 50 CGGA in-vitro Cc1ccc([C@H](NC(=O)CCl)c2ccccc2)cc1 6277276 FBSSUDJVLXFLLF-MRXNPFEDSA-N 273.763 3.439 50 50 CGGA C/C(=N\NC(=O)c1ccoc1)[C@@H]1C[C@@H]1c1ccccc1 222172361 XXQULVVYKZMMKE-FLKQJBRMSA-N 268.316 3.189 50 50 CGGA CS[C@@H]1CCCC[C@H]1NC(=O)NNc1ccc(F)cc1 845332859 SQMDPQKAIQKRRD-CHWSQXEVSA-N 297.399 3.126 50 50 CGGA CC(C)(C)OC(=O)[C@@H](Br)c1ccccc1 113647100 QMOSMBHBHVHTSB-JTQLQIEISA-N 271.154 3.464 50 50 CGGA CC[C@@H]1[C@H]2c3ccccc3[C@H]([C@@H]1CC)[C@H]1C(=O)OC(=O)[C@@H]21 254744662 RJMSBHKPHAFXQK-DCWVXLNPSA-N 284.355 3.249 50 50 CGGA CCOc1cccc(C2=NO[C@@H]([C@@H](C)Cl)C2)c1 217006710 BOBGKSBLZCYLHU-NOZJJQNGSA-N 253.729 3.206 50 50 CGGA CC[C@@H](Br)C(=O)Nc1ccccc1C 243824 UKPMVBQRESJJMN-SECBINFHSA-N 256.143 3.107 50 50 CGGA O=C(CBr)c1ccc(C(F)(F)F)cc1 153631 HEMROKPXTCOASZ-UHFFFAOYSA-N 267.044 3.283 50 50 CGGA in-vitro O=C(CCl)N[C@@H](Cc1ccccc1)c1ccccc1F 1116434064 MFWCZFMCJNLICO-HNNXBMFYSA-N 291.753 3.465 50 50 CGGA Cc1ccc(-c2csc(NC(=O)CCl)n2)cc1 342410 OVZLZSDKRSUJAB-UHFFFAOYSA-N 266.753 3.296 50 50 CGGA C[C@@H](Br)CC(F)(F)Br 2555166 DYWJVIZPXZXUML-GSVOUGTGSA-N 251.896 3.148 50 50 CGGA in-vitro N#C/C(=C\c1ccccc1)C(=O)Nc1ccc(O)cc1F 1385201 IAVNCQGNKANUPF-XYOKQWHBSA-N 282.274 3.077 50 50 CGGA C/C(=N/NC(=O)[C@H]1C[C@H]1c1ccccc1)c1cccs1 4109698 GSMWWBMUSIFMDC-KWTCJJERSA-N 284.384 3.392 50 50 CGGA C=CCOc1cccc(/C=N/NC(=O)C2CCCCC2)c1 4302527 ZISZDENOLARJOR-QGOAFFKASA-N 286.375 3.282 50 50 CGGA N#Cc1c(NC(=O)CCCCl)sc2c1CCC2 5224727 ZSRDVKFVFBZPDH-UHFFFAOYSA-N 268.769 3.066 50 50 CGGA CC(=NNC(=O)[C@H](C)Nc1ccccc1)c1ccc(F)cc1 245253719 LOXBYUQQHCZVJC-ZDUSSCGKSA-N 299.349 3.167 50 50 CGGA CCOC(=O)[C@@H](Cc1cccc(Cl)c1)SC#N 2923520 KIHSDSNHELZJLQ-LLVKDONJSA-N 269.753 3.028 50 50 CGGA COc1cc(Cl)c(C)c(NC(=O)[C@H](C)Cl)c1 74941419 XJGVEJFPPSWFAS-ZETCQYMHSA-N 262.136 3.223 50 50 CGGA CC(C)(C)[Si](C)(C)OCCc1ccccc1C(N)=O 1775972896 BHLQLQNVISMFFV-UHFFFAOYSA-N 279.456 3.350 50 50 CGGA C[C@@H](Cl)C(=O)N1CCc2oc(-c3ccccc3)cc2C1 1875379942 ACFZRZKBBIRGMX-LLVKDONJSA-N 289.762 3.459 50 50 CGGA FC(F)(F)CCCCI 66308766 MEEXEEFLZJDBEV-UHFFFAOYSA-N 252.017 3.154 50 50 CGGA C[C@H](Cl)C(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1875363808 ARBHJLUTWSXPNG-NWANDNLSSA-N 295.810 3.240 50 50 CGGA O=C(Cl)c1cc(Cl)ccc1Br 36533191 BNQXSFFVGRPZIP-UHFFFAOYSA-N 253.910 3.482 50 50 CGGA CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@]12C=CC(=O)O2 169836766 YRAQDNSUNKZDJX-FZMZJTMJSA-N 268.429 3.413 50 50 CGGA Cc1cc2c(cc1C)/C(=N/NC(=O)c1cccnc1)CCC2 4737851 DUOUDVNAJQSFDA-LVZFUZTISA-N 293.370 3.169 50 50 CGGA CCCSC1=C(C#N)[C@@H](c2ccc(C)o2)CC(=O)N1 9374766 ZFWVCJMUSXAGRT-JTQLQIEISA-N 276.361 3.070 50 50 CGGA CC[C@@H](Br)C(=O)N[C@@H](C)CCc1ccccc1 32919901 UYQUUPBNGHHXGK-WCQYABFASA-N 298.224 3.297 50 50 CGGA C[C@@H](Cl)C(=O)NCc1nsc2ccc(Cl)cc12 1875367252 HAKFDKORFQXFJT-ZCFIWIBFSA-N 289.187 3.193 50 50 CGGA CC(C)[C@H](Br)C(=O)N[C@H]1CCCC[C@H]1C 238856549 WEOVVBCNLWNKKA-VWYCJHECSA-N 276.218 3.101 50 50 CGGA in-vitro O=C=Nc1ccc(Oc2ccc(N=C=O)cc2)cc1 1850841 KDLIYVDINLSKGR-UHFFFAOYSA-N 252.229 3.414 50 50 CGGA CC(=O)Nc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1 5291475 ZRMZZIOZHYPVPF-LFIBNONCSA-N 290.322 3.435 50 50 CGGA COc1cccc2cc(C(=O)CBr)oc12 83185190 BMEWKFJUOJVBPO-UHFFFAOYSA-N 269.094 3.019 50 50 CGGA F[C@@H](CCBr)C(F)(F)Br 63148581 UNPJUIZHZWFYLY-VKHMYHEASA-N 269.886 3.097 50 50 CGGA in-vitro COc1ccccc1C[C@@H](C)N(C)C/C=C(\C)C#N 952994722 UKPIFDXIJNBNIM-KADHNRKRSA-N 258.365 3.028 50 50 CGGA CC(C)(OC(=O)NN)c1ccc(-c2ccccc2)cc1 405334 UBIJUYZFVKTLEK-UHFFFAOYSA-N 270.332 3.189 50 50 CGGA N[C@@H]1CCCC[C@H]1P(c1ccccc1)c1ccccc1 100005687 ZATLZEHZPXYMFE-QZTJIDSGSA-N 283.355 3.389 50 50 CGGA C[C@@H](Cl)C(=O)N1CC[C@H](c2cc3ccccc3[nH]2)C1 1875366924 YIYIQCZFFUIMME-PWSUYJOCSA-N 276.767 3.111 50 50 CGGA Cc1cccc(/C=N/NC(=O)Nc2ccccc2)c1 297870 WOOREWLVQHYOIS-LFIBNONCSA-N 253.305 3.151 50 50 CGGA O=C=Nc1ccc(OC(F)(F)F)cc1Br 1848350313 RWDKAYWXVFKSBS-UHFFFAOYSA-N 282.015 3.315 50 50 CGGA CCCCOc1ccc(/C=C(\C#N)C(=O)OCC)cc1 2031612 ULGKLOSUYRHDHM-SDNWHVSQSA-N 273.332 3.336 50 50 CGGA C[C@H](c1ccccc1)[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 115239 MWPYAYQWMTWWTC-BDJLRTHQSA-N 294.354 3.137 50 50 CGGA BrCc1ccc(I)cc1 559397 BQTRMYJYYNQQGK-UHFFFAOYSA-N 296.933 3.186 50 50 CGGA in-vitro Cl[C@H](Br)C(Cl)(Cl)Br 95731049 VXKOVUFOVCJHBA-SFOWXEAESA-N 291.197 3.473 50 50 CGGA Cc1ccccc1C[C@@H]1CCCN1C(=O)[C@H](C)Cl 1875364520 NNMDMAXSSNPHCD-JSGCOSHPSA-N 265.784 3.156 50 50 CGGA Cc1cc(OC(=O)c2c(F)cccc2F)ccc1[N+](=O)[O-] 297926 YUEGYVONRWUADT-UHFFFAOYSA-N 293.225 3.401 50 50 CGGA CC/C(=N\NC(=O)C1[C@H]2CCCC[C@H]12)c1ccc(O)cc1 100373643 BZWAQTKHDZAZRU-MVYAWKFMSA-N 286.375 3.059 50 50 CGGA O=C(CBr)c1cccc(Br)c1F 66309135 KIEKKGYJVKMVTG-UHFFFAOYSA-N 295.933 3.166 50 50 CGGA in-vitro Cc1cc(C)c(/C=N/NC(=O)[C@@H]2CC23CCC3)c(C)c1 62444 JYKPPEAEPKEMJH-ZNBBLSJYSA-N 270.376 3.252 50 50 CGGA NNC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12 6341039 IZYYHUJEYPLOKT-UHFFFAOYSA-N 297.745 3.159 50 50 CGGA O=C(NCCCl)Nc1cccc(C(F)(F)F)c1 1714183 GNGFQJFEECSJOA-UHFFFAOYSA-N 266.650 3.066 50 50 CGGA CCOc1ccc(Br)cc1C(=O)Cl 39319148 JGAIMMXCWHYBGZ-UHFFFAOYSA-N 263.518 3.227 50 50 CGGA C[C@H](NC(=O)[C@H](F)Cl)c1ccc(C(F)(F)F)cc1 1875361795 CALCJSAIQUVKKH-RCOVLWMOSA-N 283.652 3.417 50 50 CGGA C/C(=N\NC(=O)c1ccccc1)c1ccccc1Cl 13966671 YQIVOBSHOBOAJO-GZTJUZNOSA-N 272.735 3.494 50 50 CGGA C/C(=N\NC(=O)Nc1ccccc1)c1ccccc1 4579221 POAIDNLCHHSYAX-SFQUDFHCSA-N 253.305 3.232 50 50 CGGA Cc1ccc(CBr)c(Br)n1 98181151 XISNTVRKJPPFGH-UHFFFAOYSA-N 264.948 3.047 50 50 CGGA O=C(CCl)N[C@H](Cc1cccc(O)c1)c1ccccc1 1875374922 JWEZWOJBFXLJNW-OAHLLOKOSA-N 289.762 3.031 50 50 CGGA O=C(Nc1ccc2c[nH]nc2c1)C1CCC(Cl)CC1 1263705211 RONQCOVRFXMJLE-UHFFFAOYSA-N 277.755 3.299 50 50 CGGA CCC(CC)c1nnc(NC(=O)C(Cl)Cl)s1 617525 CTPVNDAXIPYWBT-UHFFFAOYSA-N 282.196 3.184 50 50 CGGA N#C/C(=C/c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 16361263 BZGOXWQHYLNMOP-QPEQYQDCSA-N 294.266 3.388 50 50 CGGA CCOC(=O)c1ccc(NC(=O)C(C)(C)CCl)cc1 3104443 BGJOICICQLUHDU-UHFFFAOYSA-N 283.755 3.067 50 50 CGGA O=C(CCl)N1[C@@H]2CCCC[C@H]2[C@H]2CCCC[C@H]21 230210459 ICPONQHEZXXYOA-YVECIDJPSA-N 255.789 3.185 50 50 CGGA C[C@@H](Cl)C(=O)NCc1ccc(-c2ccccc2F)o1 1875363706 UKTCWKNABIXRQC-SECBINFHSA-N 281.714 3.329 50 50 CGGA O=c1oc2ccc(Cl)cc2n1C/C=C/CCl 4104963 NIQOWRSTPLWVCW-OWOJBTEDSA-N 258.104 3.043 50 50 CGGA Cc1ccccc1/C=N/NC(=O)c1cccc(Cl)c1 298006 CTSZMPJROIPVHJ-LICLKQGHSA-N 272.735 3.412 50 50 CGGA CC(C)(C)OC(=O)N1CCC[C@H](CCBr)C1 15446035 SRWFLHHXMSGSSU-SNVBAGLBSA-N 292.217 3.419 50 50 CGGA in-vitro CC(C)Oc1ccc2[nH]cc(C(=O)CCl)c2c1 163182388 OJJJMLWLJKTIBR-UHFFFAOYSA-N 251.713 3.377 50 50 CGGA O=S1(=O)C[C@]23C=CC=C[C@]2(CCCCC3)[C@@H]1Cl 45070246 UKXUMNISSSNTOH-FRRDWIJNSA-N 272.797 3.043 50 50 CGGA Cc1cc2nc(C(Cl)Cl)nc([C@H]3C[C@@H]3C)n2n1 1857800484 ADNSFFGVYZQBAP-FSPLSTOPSA-N 271.151 3.032 50 50 CGGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1Cl 287903 DYAZYNNRTWBXGG-AWEZNQCLSA-N 288.734 3.011 50 50 CGGA O=C(CCl)n1c2c(c3c1CCCC3)CCCC2 784068 KZWUBJIBDIIBGF-UHFFFAOYSA-N 251.757 3.125 50 50 CGGA Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN)cc1 446800 QHNBMGZRXKWHIS-UHFFFAOYSA-N 291.354 3.056 50 50 CGGA O=S1(=O)C[C@]23C=CC=C[C@]2(CCCCC3)[C@H]1Cl 45070243 UKXUMNISSSNTOH-RWMBFGLXSA-N 272.797 3.043 50 50 CGGA COc1ccc(/C(C)=N/NC(=O)c2cc(C)oc2C)cc1 228356 QJKYQICTAOTWHB-GZTJUZNOSA-N 286.331 3.059 50 50 CGGA Oc1cc2ccccc2cc1-c1nnc(CCl)o1 55364 AXTAPNAJIORRIB-UHFFFAOYSA-N 260.680 3.334 50 50 CGGA CC[C@H](Br)C(=O)Nc1cccc(C(C)=O)c1 9304493 HHAQKXVZYHXZKI-NSHDSACASA-N 284.153 3.001 50 50 CGGA CCN(C(=O)[C@H](C)Br)c1cccc(C)c1 32181108 GZVOTXLLNZDDPZ-JTQLQIEISA-N 270.170 3.131 50 50 CGGA O=C(Cl)c1cc(Br)cc(F)c1F 263623225 FSAFCZHHZAHCIF-UHFFFAOYSA-N 255.445 3.106 50 50 CGGA COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1O 437004 PTCJOUIYZWHSJX-MDWZMJQESA-N 296.282 3.373 50 50 CGGA BrCc1ccc(CBr)cc1 157452 RBZMSGOBSOCYHR-UHFFFAOYSA-N 263.960 3.476 50 50 CGGA biogenic,in-vitro O=C=NC(=O)OCC1c2ccccc2-c2ccccc21 71773533 SRAHDGNWVCEFKK-UHFFFAOYSA-N 265.268 3.271 50 50 CGGA Cc1cc(C)c(C=C(C#N)C#N)c(C)c1C=C(C#N)C#N 42484 FJFUQZCRIYJKRF-UHFFFAOYSA-N 272.311 3.473 50 50 CGGA CCO[P@](=O)(CCl)Oc1ccc([N+](=O)[O-])cc1 34100056 VCLXXZPCUQQRDS-QGZVFWFLSA-N 279.616 3.400 50 50 CGGA Cc1cnc(O[Si](C)(C)C)nc1O[Si](C)(C)C 169809164 DRNUNECHVNIYHQ-UHFFFAOYSA-N 270.481 3.212 50 50 CGGA O=C(N/N=C/c1c(F)cccc1Cl)c1ccccc1 273674 CVIGCZRWDLUEFW-RQZCQDPDSA-N 276.698 3.243 50 50 CGGA O=C(CCl)N1Cc2ccc(Cl)c(Cl)c2C1 2325898743 YDRTVPFZFMDMHM-UHFFFAOYSA-N 264.539 3.074 50 50 CGGA N#C[C@@H](Br)[C@H](Br)c1ccccc1 3086288 LBRFOFQHSRWMEB-RKDXNWHRSA-N 288.970 3.410 50 50 CGGA O=C(N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1C[C@@H]1c1ccccc1 101633692 MAYMNKZQJBDATR-LTYMVSIRSA-N 282.387 3.328 50 50 CGGA N#C/C(=C/c1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 4739781 RJPLWSDFDJIKDU-MLPAPPSSSA-N 294.266 3.388 50 50 CGGA Cc1ccccc1C[C@H]1CCCN1C(=O)[C@@H](C)Cl 1875364523 NNMDMAXSSNPHCD-TZMCWYRMSA-N 265.784 3.156 50 50 CGGA O=C(N[C@@H]1c2ccccc2[C@H]2CC[C@H]1C2)[C@H](F)Cl 2325897783 IUXBPAJRYQYQQK-VDUILEQBSA-N 267.731 3.276 50 50 CGGA Cc1cc2ccccc2c[n+]1CCCBr 45069035 VHDQXFUEEZMSMZ-UHFFFAOYSA-N 265.174 3.221 50 50 CGGA CCOC(=O)[C@H](Br)c1ccc(Cl)cc1 1589676 CZAZDSRFJOHLCK-SECBINFHSA-N 277.545 3.339 50 50 CGGA in-vitro C[C@@H](NC(=O)CCl)c1cn(C)c2cc(Cl)ccc12 1875367871 VHFHREDSOQEZKV-MRVPVSSYSA-N 285.174 3.248 50 50 CGGA C[Si](C)(C)C#CCCCI 169838282 MWSACCMIYLPDDZ-UHFFFAOYSA-N 266.198 3.082 50 50 CGGA COc1ccccc1C(=O)C(C#N)=C1Nc2ccccc2N1 6493643 YDWNFIZUIISXBX-UHFFFAOYSA-N 291.310 3.151 50 50 CGGA O=C(N/N=C/c1cccc(Cl)c1)C1CCCCC1 510991 RNCUYCFASZLIRS-MHWRWJLKSA-N 264.756 3.370 50 50 CGGA CC/C(=N\NC(=O)c1ccoc1C)c1ccc(C)o1 373108 YWMGQDPNMYSSLK-NTCAYCPXSA-N 260.293 3.034 50 50 CGGA C[C@H](Cl)C(=O)N(c1ccc(C#N)cc1)C1CCC1 1875377609 IPLCYOSUETYCGZ-JTQLQIEISA-N 262.740 3.071 50 50 CGGA O=c1[nH]c(CCl)nc2scc(-c3cccs3)c12 3326654 VYNYUUUFRXWFFD-UHFFFAOYSA-N 282.777 3.452 50 50 CGGA CC(C)c1ccc(/C=N/NC(=O)c2cc(C3CC3)n[nH]2)cc1 6365076 VXHUJXIQWHKQIX-VCHYOVAHSA-N 296.374 3.174 50 50 CGGA CC1(C)CC(=O)C/C(=N\NC(=O)c2ccc(Cl)cc2)C1 100005219 KAXGDUALEIGGKC-SFQUDFHCSA-N 292.766 3.205 50 50 CGGA COc1ccc2c(c1)CCC/C2=N/NC(=O)c1ccoc1C 32619735 QOPHQPYRPJVOFT-VLGSPTGOSA-N 298.342 3.067 50 50 CGGA O=C(Nc1nc2ccccc2s1)C(Cl)Cl 293234 KMWSSVLNZPNIGV-UHFFFAOYSA-N 261.133 3.039 50 50 CGGA CCOc1cc(F)c(F)c(F)c1CBr 575419775 XJFNNXQODYHRHG-UHFFFAOYSA-N 269.060 3.398 50 50 CGGA Cc1cccc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)c1 43761351 KUEAAXXQKQOMGN-RGVLZGJSSA-N 291.354 3.169 50 50 CGGA Cc1cc(C)n(-c2ccc(NC(=O)[C@H](C)Cl)cc2)n1 1875364132 JBINNMSRMNNKNH-NSHDSACASA-N 277.755 3.055 50 50 CGGA CC(C)C[C@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21 6589215 HJKVKJIUEPNLHI-LBPRGKRZSA-N 294.358 3.293 50 50 CGGA N#CC1=C(N)Oc2cc3ccccc3cc2[C@H]1c1cccnc1 4051123 IGDAHWBHOGLRHU-GOSISDBHSA-N 299.333 3.453 50 50 CGGA C[C@H](Cl)C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 1875376341 SYUXYMZSWDOFKV-NILFDRSVSA-N 275.779 3.461 50 50 CGGA CS[C@H]1CCCC[C@@H]1NC(=O)NNc1ccc(F)cc1 888093194 SQMDPQKAIQKRRD-STQMWFEESA-N 297.399 3.126 50 50 CGGA CCOC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1 101605 LTVGCUOWZGIJQG-JXMROGBWSA-N 269.222 3.175 50 50 CGGA CCOC(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1 135342 VDMBMCYYOMBQEP-UXBLZVDNSA-N 269.222 3.175 50 50 CGGA COc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)o2)cc1 173293 IWUDGPVJJWUMSD-FMIVXFBMSA-N 282.299 3.142 50 50 CGGA CN(C(=O)CCl)[C@@H](CCc1ccccc1)C(F)(F)F 1875379889 YYDIKTIRIUZHPG-NSHDSACASA-N 293.716 3.247 50 50 CGGA Cc1cc(Cl)ccc1/C=N/NC(=O)c1ccc(O)cc1 1775996553 NDRHYNMPTZEMFL-RQZCQDPDSA-N 288.734 3.118 50 50 CGGA CC(C)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1 175335 IKPPIUNQWSRCOZ-WOJGMQOQSA-N 282.343 3.280 50 50 CGGA in-vitro O=C(N/N=C/c1ccccc1F)c1cccc(Cl)c1 299048 WFRBSNNZRSAXBV-RQZCQDPDSA-N 276.698 3.243 50 50 CGGA CC(C)(C)C(=O)C(C#N)=C1Oc2ccc(O)cc2S1 2041576592 HXRFADGTSOLVAI-UHFFFAOYSA-N 275.329 3.227 50 50 CGGA Cc1cc2nc(C(Cl)Cl)nc([C@H]3C[C@H]3C)n2n1 1857800489 ADNSFFGVYZQBAP-VDTYLAMSSA-N 271.151 3.032 50 50 CGGA C[C@H]1Oc2ccccc2C=C1/C=N/NC(=O)c1ccccc1 501532 IXCVBMIORIGEMC-KZKLBEMASA-N 292.338 3.267 50 50 CGGA O=C(NCCBr)c1ccc(Cl)cc1Cl 2243834 YBAVHWSYOSMTDU-UHFFFAOYSA-N 296.979 3.118 50 50 CGGA Cc1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1 249455 BPBVPNMMKMGPOB-LICLKQGHSA-N 272.735 3.412 50 50 CGGA Cc1ccccc1NCC(=O)N/N=C\C=C\c1ccccc1 16671351 XPKMHNHFOUMMCT-KZBAPLJJSA-N 293.370 3.222 50 50 CGGA O=C(NN=C1CCCC1)c1cc2ccccc2cc1O 842234 JKJUOWRIKHSUBX-UHFFFAOYSA-N 268.316 3.205 50 50 CGGA OB(O)c1c2ccccc2c(-c2ccccc2)c2ccccc12 169744830 RVPCPPWNSMAZKR-UHFFFAOYSA-N 298.150 3.340 50 50 CGGA in-vitro CC(C)(C)OC(=O)N(CC(=O)CCl)Cc1ccccc1 219098393 VDIBSSZUXALCDA-UHFFFAOYSA-N 297.782 3.232 50 50 CGGA O=C1OC(=O)[C@@]23CCCCCCCCC[C@]12CC3 101045761 XPNIIDLDQWMCRW-GJZGRUSLSA-N 250.338 3.361 50 50 CGGA C[C@H](NC(=O)[C@@H](C)Cl)c1cccc(N2CCCC2)c1 1875363889 CVSNSQATPADGNN-NEPJUHHUSA-N 280.799 3.091 50 50 CGGA CCOc1ccccc1NC(=O)[C@H](Br)CC 32919635 DFVIVQMFALBIRN-SECBINFHSA-N 286.169 3.197 50 50 CGGA CC(C)c1ccc(/C=N/NC(=O)c2cc(C(C)C)n[nH]2)cc1 9041606 UUYSUYUPTJNPDE-VCHYOVAHSA-N 298.390 3.420 50 50 CGGA O=C(CCl)N[C@H]1CCC[C@H]1CCc1ccccc1 1875379270 PCJDBWGBEGQUIA-KBPBESRZSA-N 265.784 3.143 50 50 CGGA O=C(CBr)c1cc(Cl)ccc1F 82555733 KHHKWCFGQAYBFK-UHFFFAOYSA-N 251.482 3.057 50 50 CGGA FC(F)(F)COc1cccc(OCCBr)c1 575444442 QKNQGHGSFQFBKG-UHFFFAOYSA-N 299.086 3.401 50 50 CGGA Cc1ccc(CNC(=O)[C@H](C)Cl)c2ccccc12 1875380477 QFFYFHIRDBWADU-NSHDSACASA-N 261.752 3.392 50 50 CGGA N#CC1=C(N)Oc2cc(O)ccc2[C@H]1C1CCCCC1 115356 RCUHKPVJTMSGQZ-OAHLLOKOSA-N 270.332 3.142 50 50 CGGA [C-]#[N+][C@H](Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 100264272 XBGXGWNKJBMMPR-INIZCTEOSA-N 285.368 3.257 50 50 CGGA CC/C(Cc1ccccc1)=N\NC(=O)c1ccc(N)cc1 12384051 BPOATHWUMGPUQL-KNTRCKAVSA-N 281.359 3.007 50 50 CGGA C[C@@H](Cl)C(=O)Nc1ccccc1C(F)(F)F 12504893 LPZWGHVAKVEFNN-ZCFIWIBFSA-N 251.635 3.271 50 50 CGGA CC(C)C[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 74597 TYHFTTTVSAFYBK-LLVKDONJSA-N 296.326 3.009 50 50 CGGA O=C(Cl)c1c(Br)ccc(F)c1F 67800107 MHPRKSRBEQPVDB-UHFFFAOYSA-N 255.445 3.106 50 50 CGGA CC[C@H](Br)C(=O)Nc1ccc(C)c(C)c1 32919683 KZHUKGLYVAKURF-NSHDSACASA-N 270.170 3.415 50 50 CGGA N#C/C(=C\c1cc(C(=O)CCl)c[nH]1)C(=O)c1ccccc1 6927245 DAOZJJIFOWKHTK-WUXMJOGZSA-N 298.729 3.226 50 50 CGGA CC(C)(Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Cl 40451401 FRAHPPVBHLTWOJ-UHFFFAOYSA-N 278.091 3.171 50 50 CGGA O=C(CCl)Nc1c(Cl)ccc2ncccc12 1875377652 KCGXHLGKXAIJFW-UHFFFAOYSA-N 255.104 3.066 50 50 CGGA Cc1ccsc1/C=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1 4188126 XRFPITCRIFMQBR-QEIRAGPASA-N 284.384 3.310 50 50 CGGA N#CC(NC(=O)OCc1ccccc1)=C(Cl)Cl 1775975590 JIOTXVRTPQIGRE-UHFFFAOYSA-N 271.103 3.083 50 50 CGGA O=P(CN1CCCCC1)(c1ccccc1)c1ccccc1 6848119 WXKQUNNYYSMKMZ-UHFFFAOYSA-N 299.354 3.444 50 50 CGGA CCC[C@@H]1[C@H]2C[C@@H](C)CC=C2C(C#N)=C(N)C1(C#N)C#N 377560 UZVWCYJDXOXVAJ-CORIIIEPSA-N 280.375 3.159 50 50 CGGA C[C@H](NC(=O)CCl)c1cc2ccccc2s1 1875363463 BRJOJNKMPBZXFL-QMMMGPOBSA-N 253.754 3.317 50 50 CGGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccco2)C2=C1CCCC2 19300141 HAQXRHVWHNQNLP-OAHLLOKOSA-N 290.326 3.017 50 50 CGGA CCOC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)o1 4566275 IGVPVTJRTRLHHO-RAXLEYEMSA-N 267.284 3.417 50 50 CGGA O=C(CBr)c1ccccc1OC(F)(F)F 2243294 QCJFOLRUNWTRLH-UHFFFAOYSA-N 283.043 3.163 50 50 CGGA CCN(CC)C(=O)O[C@H](Cl)C(Cl)(Cl)Cl 3075371 LJQDADHDTDOYLQ-YFKPBYRVSA-N 282.982 3.400 50 50 CGGA C[C@@H](Br)C(C)(Br)Br 2579093 JDWNTZIECWWBAO-GSVOUGTGSA-N 294.812 3.276 50 50 CGGA COC(=O)c1cc(Cl)ccc1CBr 66352292 PVGXSSGKABOXTL-UHFFFAOYSA-N 263.518 3.022 50 50 CGGA CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CBr)C1 38518585 XJDUGNDNCQMMBK-NXEZZACHSA-N 292.217 3.465 50 50 CGGA CCOc1cccc(C2=NO[C@H]([C@@H](C)Cl)C2)c1 217006702 BOBGKSBLZCYLHU-RNCFNFMXSA-N 253.729 3.206 50 50 CGGA Cc1ccc2nc(NC(=O)[C@@H](C)Cl)sc2c1 12016224 HYLQWPDMMNYPNQ-SSDOTTSWSA-N 254.742 3.171 50 50 CGGA N#CC1=C(c2ccc(-c3ccccc3)cc2)COC1=O 170477 TTZMUQGRABVCDG-UHFFFAOYSA-N 261.280 3.188 50 50 CGGA CC1=C(C#N)[C@H](c2nccs2)C2=C(CC(C)(C)CC2=O)N1 25695240 GIQKLSWLEPRBBV-ZDUSSCGKSA-N 299.399 3.271 50 50 CGGA N#CC(=C=N)C1=CC2=CC(=C(C#N)C#N)CC[C@@H]2CC1 140117925 DARIFMMMJKTTKA-NSHDSACASA-N 260.300 3.085 50 50 CGGA Fc1cc(Br)cc(CBr)c1 54711043 DAUWIPUGOIFZNF-UHFFFAOYSA-N 267.923 3.483 50 50 CGGA in-vitro CCOc1ccc(/C=N/NC(=O)c2cc(C)oc2C)cc1 228278 FGGQPIAKYHBAFH-LICLKQGHSA-N 286.331 3.059 50 50 CGGA O=[N+]([O-])c1cccc(Cl)c1CBr 6091668 MAIVNONTLACJOK-UHFFFAOYSA-N 250.479 3.143 50 50 CGGA in-vitro CC(=O)c1ccccc1OC(F)(F)[C@H](F)Cl 1711799 CVVPWCDQNQSOHO-VIFPVBQESA-N 252.619 3.395 50 50 CGGA OC[C@H](Cl)[C@H]1CCCCCCCCCC[C@@H]1O 25557617 GVUJCTTYUDBJOS-RDBSUJKOSA-N 262.821 3.478 50 50 CGGA C[C@H](Cl)C(=O)NCC1(c2c(F)cccc2F)CCC1 1875375819 JEDNYSQBSIBURF-VIFPVBQESA-N 287.737 3.130 50 50 CGGA C[C@H]1CSc2ccccc2N(C(=O)CCl)C1 1775999626 RRMDXWOPKWEXPG-SECBINFHSA-N 255.770 3.000 50 50 CGGA O=C(Cl)OCC(F)(F)C(F)(F)C(F)(F)F 169795625 BTGGZMZAVPCGMB-UHFFFAOYSA-N 262.508 3.195 50 50 CGGA in-vitro CCOC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl 248083 HDHAZBAICIKTCX-WEVVVXLNSA-N 270.115 3.463 50 50 CGGA N#CC(C(=O)c1ccc(F)cc1)=C1Nc2ccccc2N1 547480 ICLUDEMAZUAKNI-UHFFFAOYSA-N 279.274 3.281 50 50 CGGA CCOCCCC(Br)CCCOCC 2173137 YHLUGNITXPXBDL-UHFFFAOYSA-N 267.207 3.383 50 50 CGGA O=C(CCl)OCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2531974 ZUSJCCJPRXAQCN-UHFFFAOYSA-N 295.678 3.137 50 50 CGGA CC(C)c1ccc(CNC(=O)[C@@H](C)Br)cc1 41737372 GMCYUJSMLIZOHD-SNVBAGLBSA-N 284.197 3.210 50 50 CGGA COc1cc(/C=C(\C#N)C(=O)c2ccccc2)ccc1O 5067095 TZGGXAVMJNANBG-NTEUORMPSA-N 279.295 3.191 50 50 CGGA N#C/C(=C/c1ccc(OCC(=O)O)cc1)c1ccc(F)cc1 16393589 DLKKDWWVTJKBNU-ZROIWOOFSA-N 297.285 3.353 50 50 CGGA COc1ccc(-c2csc(NC(=O)[C@H](C)Cl)n2)cc1 34800193 JPJKAJDVTKXUSZ-QMMMGPOBSA-N 296.779 3.385 50 50 CGGA in-vitro O=C(N/N=C/c1cccs1)c1ccc(-n2cccc2)cc1 372795 SLNQFQIYABOZQH-SFQUDFHCSA-N 295.367 3.303 50 50 CGGA Cc1ccsc1/C=N/NC(=O)c1sccc1C 355778 ASVULYVVYQJTBX-NTUHNPAUSA-N 264.375 3.190 50 50 CGGA CSc1ccc(/C=N/NC(=O)C2[C@H]3CCCC[C@H]23)cc1 100003590 CXKAIVXOXGMKDZ-JUACWREWSA-N 288.416 3.295 50 50 CGGA O=C(Cc1cc2ccccc2[nH]1)N/N=C/[C@H]1CC=CCC1 4989760 MAFHAMKFXJWOPL-HTMJNSLASA-N 281.359 3.169 50 50 CGGA O=C(CCl)c1ccc(Br)c(F)c1 67176063 KWURIFGJSWLEKB-UHFFFAOYSA-N 251.482 3.010 50 50 CGGA C[C@H](Cl)C(=O)N1CCC[C@@H]1Cc1cccc(F)c1F 1875368204 YQZAVUSIAHPHHT-GXSJLCMTSA-N 287.737 3.126 50 50 CGGA Cc1ccc2c(c1)SCCCN2C(=O)CCl 1775999663 TUHQIYXLTUCCJT-UHFFFAOYSA-N 255.770 3.063 50 50 CGGA CC(C)Cc1ccc(C[C@H](Br)C(=O)O)cc1 5613929 ZNXYHTDHSYBLHE-LBPRGKRZSA-N 285.181 3.276 50 50 CGGA CC(C)(C)c1csc(NC(=O)C(Cl)Cl)n1 330675 RMDYQUMWOLMUPX-UHFFFAOYSA-N 267.181 3.183 50 50 CGGA N#CC1=C(c2ccccc2)[C@H](c2ccccc2)OC1=O 282158 UFEWTCZSYOHNEJ-INIZCTEOSA-N 261.280 3.262 50 50 CGGA O=c1c2ccccc2nc(CCl)n1-c1ccc(F)cc1 4219052 HFDRJEOQPOFSGG-UHFFFAOYSA-N 288.709 3.264 50 50 CGGA Cc1cccc(Cl)c1NC(=O)C(Cl)Cl 1738574 WRCOPDUFKPBVLE-UHFFFAOYSA-N 252.528 3.391 50 50 CGGA COc1ccc(NC(=O)[C@H](C)Br)cc1Cl 58852306 UXHQRVPOYMQTBZ-LURJTMIESA-N 292.560 3.071 50 50 CGGA C[C@H](Cl)C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 1875364168 GYLFITWDWKIICS-MDZLAQPJSA-N 251.757 3.018 50 50 CGGA CC(C)(C)c1ccc(/C=N/NC(=O)c2ccccc2O)cc1 296369 WTSWTEMDAKDKKU-XDHOZWIPSA-N 296.370 3.454 50 50 CGGA C[C@H](CO)[C@H](O)CCCCO[Si](C)(C)C(C)(C)C 169836208 FROMSYAJOHUJRB-CHWSQXEVSA-N 276.493 3.168 50 50 CGGA C/C(N)=C(\C#N)c1nc(-c2ccc(F)cc2)c(C)s1 585079751 GFRTWKJBRQXWOD-WQLSENKSSA-N 273.336 3.471 50 50 CGGA O=C(N/N=C/c1ccsc1)c1ccc(-n2cccc2)cc1 1005724 IPEKQQOULAIYJE-GZTJUZNOSA-N 295.367 3.303 50 50 CGGA N#Cc1cccnc1SSc1ncccc1C#N 220734018 QOSBEPZYGVMTBO-UHFFFAOYSA-N 270.342 3.019 50 50 CGGA CC[C@@H]1[C@H]2c3ccccc3[C@@H]([C@@H]3C(=O)OC(=O)[C@H]32)[C@@H]1CC 254744664 RJMSBHKPHAFXQK-KXZVIPSBSA-N 284.355 3.249 50 50 CGGA N#C/C(=C\c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 70481 XQQQEGKTKATSSO-UKTHLTGXSA-N 266.256 3.365 50 50 CGGA FC(F)(F)c1ccc(OCCBr)cc1 34334368 YKZQRODDFYIDRM-UHFFFAOYSA-N 269.060 3.479 50 50 CGGA in-vitro N#C/C(=C\c1cccc(Cl)c1Cl)C(N)=S 142122 WOJINVTZSNCBQC-QPJJXVBHSA-N 257.145 3.186 50 50 CGGA C[C@H](Br)C(=O)c1ccc2c(c1)CCC2 16322517 LMPSOELIGSAFSV-QMMMGPOBSA-N 253.139 3.141 50 50 CGGA CC1=C(C#N)[C@@H](c2ccccc2)C2=C(CCCC2=O)N1 19691110 NCIVOIVRZVJBHG-MRXNPFEDSA-N 264.328 3.178 50 50 CGGA O=C1O[C@H](Br)c2cc(Br)ccc21 113085930 AVHYDEJTOWNHJV-ZETCQYMHSA-N 291.926 3.013 50 50 CGGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1Cl 287906 DYAZYNNRTWBXGG-CQSZACIVSA-N 288.734 3.011 50 50 CGGA C[C@H](Cl)C(=O)NN=C(c1ccccc1)c1ccccc1 1403635 PYSXPMVOUHMGEC-LBPRGKRZSA-N 286.762 3.183 50 50 CGGA Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1-c1ccc(Cl)cc1 442052 WAQUPXHLBXQMMH-MDWZMJQESA-N 299.761 3.140 50 50 CGGA CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](F)Cl 2325898462 DLCSAVBHBMPADD-MRVPVSSYSA-N 270.156 3.284 50 50 CGGA Cc1cc(C(=O)N/N=C/c2sccc2C)cs1 373950 PSOCANCPTINHKZ-AWNIVKPZSA-N 264.375 3.190 50 50 CGGA CCOC(=O)[C@H](Br)[C@@H]1CCC[C@@H](C)C1 215984333 DUTJSCZKHCIGAK-OPRDCNLKSA-N 263.175 3.139 50 50 CGGA OB(O)c1ccc(-c2cccc3ccccc23)c2ccccc12 169745673 GKRWMBPEFXXULT-UHFFFAOYSA-N 298.150 3.340 50 50 CGGA in-vitro N#CSCC(=O)n1c2c(c3ccccc31)CCCC2 2282799 CPQKDZQZFBHEOE-UHFFFAOYSA-N 270.357 3.375 50 50 CGGA C[C@H](NC(=O)CCl)c1csc(-c2ccccc2)n1 1875375103 RCWVMHYRSMPGOP-VIFPVBQESA-N 280.780 3.226 50 50 CGGA O=C(CCl)Nc1ccc(Oc2cccc(F)c2F)nc1 1875374771 DRKLXSXLIVIUOK-UHFFFAOYSA-N 298.676 3.329 50 50 CGGA CC(=C/c1ccccc1)/C=N/NC(=O)Cc1ccccc1 298597 AASDOYMJKKBJFL-ZXTCOAKQSA-N 278.355 3.435 50 50 CGGA COc1ccc(Cl)c(CBr)c1F 2527873 GXFGAQZYZUIINO-UHFFFAOYSA-N 253.498 3.383 50 50 CGGA CC(C)c1ccc(/C=N/NC(=O)c2ccccc2O)cc1 286654 HCLJMKVIUMPNDX-WOJGMQOQSA-N 282.343 3.280 50 50 CGGA CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@]12C=CC(=O)O2 169836764 YRAQDNSUNKZDJX-SMDDNHRTSA-N 268.429 3.413 50 50 CGGA Fc1cccc(CBr)c1OC(F)F 157612548 PIYOQRCBSDZOEE-UHFFFAOYSA-N 255.033 3.322 50 50 CGGA CSc1ccc(/C=N/NC(=O)c2cccs2)cc1 381457 QWELGMUGFFBQHL-NTEUORMPSA-N 276.386 3.234 50 50 CGGA CC[C@@H](Br)C(=O)Nc1ccc(F)cc1F 9095753 OYEWBAMEKGGKIU-SSDOTTSWSA-N 278.096 3.077 50 50 CGGA O=C(CCCCl)c1cncc(Br)c1 214487771 ODZMNSYDQVVCLV-UHFFFAOYSA-N 262.534 3.046 50 50 CGGA COC(=O)c1cccc(C(F)(F)F)c1CBr 91692560 DFYWLNAELNNBMC-UHFFFAOYSA-N 297.070 3.387 50 50 CGGA C[C@@H](Cl)C(=O)NC(C)(C)c1cccc(Cl)c1F 1875380162 GRLMGORFLUHNJN-SSDOTTSWSA-N 278.154 3.458 50 50 CGGA COC(=O)/C(C#N)=C\c1c(Cl)cccc1Cl 6372026 KQHWXHLBALWTEF-ALCCZGGFSA-N 256.088 3.073 50 50 CGGA CC1=C(C#N)CCC(=O)N1Cc1c(F)cccc1Cl 169178 LLVNNMCCGQOFJA-UHFFFAOYSA-N 278.714 3.399 50 50 CGGA CC[C@H]1[C@@H](CC)[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)OC(=O)[C@H]12 254744663 RJMSBHKPHAFXQK-FULYMMCDSA-N 284.355 3.249 50 50 CGGA O=C(Cl)c1cc(F)cc(F)c1Br 263625213 XSWSLAFPWCSRJK-UHFFFAOYSA-N 255.445 3.106 50 50 CGGA Cc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1 297817 IDGIJJPDIGEOGS-LICLKQGHSA-N 272.735 3.412 50 50 CGGA O=C(N/N=C/c1ccc(Cl)cc1)c1ccccc1 130692 YJGPDMQKIPQVLX-MHWRWJLKSA-N 258.708 3.104 50 50 CGGA in-vitro CCc1sc(/C=C(/C#N)C(=N)S)cc1[N+](=O)[O-] 13658157 FLICSFLKDCECGU-UTCJRWHESA-N 267.335 3.033 50 50 CGGA CCC[C@H](C)[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 115431 ZJCLAZOWCPVCCC-HZMBPMFUSA-N 288.391 3.406 50 50 CGGA N#Cc1ccc(CBr)cc1Br 90627528 FOVQCPSLQZIRSB-UHFFFAOYSA-N 274.943 3.216 50 50 CGGA in-vitro C[C@@H](Br)C(=O)Nc1ccc(F)cc1Cl 235087224 DNVJNLBQZDSGMS-RXMQYKEDSA-N 280.524 3.201 50 50 CGGA N#Cc1ccc(-c2cccc(CNC(=O)CCl)c2)s1 1323269880 QYLCZBYCZHCYBZ-UHFFFAOYSA-N 290.775 3.142 50 50 CGGA COc1ccc2[nH]cc(C(=O)[C@H](C)Br)c2c1 489583 OZNLOKJCYMXMBC-ZETCQYMHSA-N 282.137 3.143 50 50 CGGA S=C=Nc1ccccc1I 2390081 ODOTYLQYSDVPMA-UHFFFAOYSA-N 261.087 3.026 50 50 CGGA N#C[C@H](Br)[C@H](Br)c1ccccc1 3086290 LBRFOFQHSRWMEB-DTWKUNHWSA-N 288.970 3.410 50 50 CGGA N#C/C(=C/c1ccc(N2CCOCC2)o1)c1cccc(F)c1 4739838 IBAAUWYBQXJOPG-KAMYIIQDSA-N 298.317 3.319 50 50 CGGA CCC[C@@H](C)c1nnc(NC(=O)C(Cl)Cl)s1 614976 RIXLCNFNANZBKJ-RXMQYKEDSA-N 282.196 3.184 50 50 CGGA COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1 6484167 LKVQAJOKAKNCOO-LICLKQGHSA-N 288.734 3.113 50 50 CGGA O=C(CCCCl)NC12CC3CC(CC(C3)C1)C2 5725699 KRXYNTHNYXFZLE-UHFFFAOYSA-N 255.789 3.090 50 50 CGGA Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2Cl)cc1 1700441 QQVGGBHICJGLHJ-STQMWFEESA-N 272.797 3.319 50 50 CGGA O=C(CCCl)Nc1ccccc1Br 6336808 SKKXXDVNNYBJLK-UHFFFAOYSA-N 262.534 3.017 50 50 CGGA FC(F)(F)c1cccc(-c2noc(CCl)n2)c1 3880167 SQEQCLQTYOGYPH-UHFFFAOYSA-N 262.618 3.494 50 50 CGGA CCSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1 8973476 ZZWGIWUBKJWKLW-LLVKDONJSA-N 292.791 3.432 50 50 CGGA C/C(=N\NC(=O)c1cc(C)oc1C)c1ccc(F)cc1 5025119 WHEUWNDMKXOAQV-LICLKQGHSA-N 274.295 3.190 50 50 CGGA CCOc1ccccc1-c1ccc(/C=C(\C#N)C(=O)O)o1 4541839 BQKOJWRIXKBEGO-PKNBQFBNSA-N 283.283 3.337 50 50 CGGA C[C@@H]1CCC=C2C(=O)C[C@@H]3OOC(C)(C)[C@H]3[C@]21C 257469058 KXGHHSIMRWPVQM-IRIUXVKKSA-N 250.338 3.047 50 50 CGGA biogenic CC[C@H](Cl)S(=O)(=O)CCCc1ccccc1 45069219 KJIUHNZQFFVPKQ-GFCCVEGCSA-N 260.786 3.009 50 50 CGGA O=C(Cc1ccccc1)N[C@@H]1CCCC[C@@H]1Br 5602807 VPVWTZQGDKHCTB-QWHCGFSZSA-N 296.208 3.051 50 50 CGGA O=[N+]([O-])c1cc(Cl)ccc1OCCBr 2156284 SZBHXPIIJGDQJO-UHFFFAOYSA-N 280.505 3.022 50 50 CGGA O=C(CCl)Nc1ccc(OC(F)F)c2cccnc12 1875377555 HAYSTHYJAWGSOA-UHFFFAOYSA-N 286.665 3.014 50 50 CGGA O=C(CCCl)Nc1cccc(C(F)(F)F)c1 5671296 RWPLMOJDZBCVIC-UHFFFAOYSA-N 251.635 3.273 50 50 CGGA CCC[C@@H](C)[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 115434 ZJCLAZOWCPVCCC-QMTHXVAHSA-N 288.391 3.406 50 50 CGGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1 77603 BMQWMSINEVVGNC-CQSZACIVSA-N 288.734 3.011 50 50 CGGA COc1ccccc1C(=O)N/N=C/C=C/c1ccccc1 3091587 MKUXDBPXSGRVER-CVUDBVLYSA-N 280.327 3.124 50 50 CGGA C/C(=N\NC(=O)c1ccccc1Cl)c1ccc(O)cc1 12343232 OINDPVUWYLBUQT-LICLKQGHSA-N 288.734 3.200 50 50 CGGA CNC(=O)/C(C#N)=C\c1ccc(Sc2ccccc2)o1 5090920 HAHQESMHLGYHTM-LUAWRHEFSA-N 284.340 3.084 50 50 CGGA CC(C)(C)c1[nH]nc2c1[C@@H]([C@H]1C=CCCC1)C(C#N)=C(N)O2 550851 AFTHMAMOWSXMPL-JQWIXIFHSA-N 298.390 3.233 50 50 CGGA Cc1cc(Br)cc(C)c1NC(=O)CCl 562826 BOGZZKCHNFBJGM-UHFFFAOYSA-N 276.561 3.243 50 50 CGGA in-vitro S=C=Nc1cccc(I)c1 4266824 LKCSXVAACHUTGC-UHFFFAOYSA-N 261.087 3.026 50 50 CGGA CC(C)(C)C1CCC(=CC(=O)NNc2cnccn2)CC1 133297063 DNTTYNXYWCMFIR-UHFFFAOYSA-N 288.395 3.082 50 50 CGGA O=C(N/N=C/c1cccc2ccccc12)c1ccco1 227719 ROLSLRAWIZQQPN-GZTJUZNOSA-N 264.284 3.197 50 50 CGGA Cc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2O)cc1 273631 ONWBNMLKMPLVKP-RQZCQDPDSA-N 288.734 3.118 50 50 CGGA Fc1cc(F)c(N=C=S)c(Br)c1 15444482 MNIJTADQGYWBOG-UHFFFAOYSA-N 250.067 3.462 50 50 CGGA Cc1ccc(C)c([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c1 292521 UMXTYPIPGDFAPB-KRWDZBQOSA-N 291.354 3.104 50 50 CGGA CC[C@H](Br)C(=O)Nc1cccc(C)c1 32919638 ZMWFOXBOGQLOMZ-JTQLQIEISA-N 256.143 3.107 50 50 CGGA C[C@H](Cl)C(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1875363809 ARBHJLUTWSXPNG-QEJZJMRPSA-N 295.810 3.240 50 50 CGGA O=C(Nc1ccc(F)cc1)Oc1ccc([N+](=O)[O-])cc1 1753720 VOAOEUPVXJHOFQ-UHFFFAOYSA-N 276.223 3.345 50 50 CGGA BrCCc1cccc(Br)c1 54711056 ZDWCLHJHUMKCQS-UHFFFAOYSA-N 263.960 3.387 50 50 CGGA C[C@@H](Cl)C(=O)N1CCn2cccc2[C@H]1c1ccccc1 1875363734 WFRNLXZHFAXHDJ-IUODEOHRSA-N 288.778 3.047 50 50 CGGA Cc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)c1 297228 JCEVDXXEFFBYKX-LICLKQGHSA-N 272.735 3.412 50 50 CGGA O=C(N/N=C/c1ccccn1)c1ccc(Cl)c(Cl)c1 440058 DWKRDOPIHNRCGC-CAOOACKPSA-N 294.141 3.152 50 50 CGGA O=CN(Cc1ccccc1)/N=C/c1ccc(Cl)cc1 432493 OADQLVHKEQIGPX-LICLKQGHSA-N 272.735 3.333 50 50 CGGA COc1ccccc1OCCCCBr 2388623 IBOIPLXRAWCRMO-UHFFFAOYSA-N 259.143 3.249 50 50 CGGA in-vitro COc1ccc(/C(C#N)=C/c2cccc(O)c2)cc1OC 435907 RJLZHYQYYJPEOG-RIYZIHGNSA-N 281.311 3.474 50 50 CGGA CC(C)(C)C(=O)C(C#N)=Cc1ccccc1[N+](=O)[O-] 2049286311 FFOBHYRKCYFUFD-UHFFFAOYSA-N 258.277 3.117 50 50 CGGA COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1O 3946878 UWPWIJWFEGZWME-XYOKQWHBSA-N 291.310 3.341 50 50 CGGA C[C@@H]1CCc2c(C(=O)N/N=C/c3ccccn3)csc2C1 2735700 PRCFMZFGLOKTJN-PBFYJAPKSA-N 299.399 3.032 50 50 CGGA C[C@H](Cl)C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F 1875364618 ZTMOSNDGYILDOL-GBIKHYSHSA-N 269.747 3.363 50 50 CGGA Cc1ccc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1 28034 KMSKENHXTDXLMM-INIZCTEOSA-N 294.354 3.118 50 50 CGGA N#CC1=C(N)Oc2c(ccc3cccnc23)[C@@H]1c1ccccc1 44594 VNPNHFYNGHHFDS-INIZCTEOSA-N 299.333 3.453 50 50 CGGA CC[C@H](Oc1ccc(Br)cc1)C(=O)Cl 40451366 SMNPEWBYDYGUBD-VIFPVBQESA-N 277.545 3.372 50 50 CGGA CC(C)(C)OC(=O)N1CCC[C@@H](CCBr)C1 15446033 SRWFLHHXMSGSSU-JTQLQIEISA-N 292.217 3.419 50 50 CGGA in-vitro CNc1ccccc1C(=O)N/N=C/c1ccccc1Cl 1741146 KOENVSQTYPAPPN-VCHYOVAHSA-N 287.750 3.146 50 50 CGGA Cc1ccc2[nH]c(/C(C#N)=C\c3cccn3C)nc2c1 4739802 SSDZJNVATTUFFM-XFXZXTDPSA-N 262.316 3.274 50 50 CGGA Cc1cccc(P(c2ccccc2)c2ccccc2)n1 100022164 XEXYRTTUCDBSPJ-UHFFFAOYSA-N 277.307 3.148 50 50 CGGA FC(F)(F)c1ccccc1-c1noc(CCl)n1 34476238 BXLKLGDTRNRFSX-UHFFFAOYSA-N 262.618 3.494 50 50 CGGA C[C@@H](Cl)C(=O)Nc1cccc(-c2nc(C3CC3)no2)c1 1875364662 PQLNBQHKZTYCFP-MRVPVSSYSA-N 291.738 3.180 50 50 CGGA Cc1ccc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 271251 OHXJGGTYWZAIAL-AKLVUOHOSA-N 278.355 3.249 50 50 CGGA BrCC#Cc1ccccc1Br 141580300 AOMBQBHXXQGYHS-UHFFFAOYSA-N 273.955 3.196 50 50 CGGA C/C(=N/NC(=O)c1ccccc1O)c1ccccc1Cl 4946899 HYKOSEJVTBVKLE-YVLHZVERSA-N 288.734 3.200 50 50 CGGA O=C(c1ccccc1)[C@H](Cl)c1ncc(Cl)cn1 22340503 RGQMZLOKLPCELK-JTQLQIEISA-N 267.115 3.293 50 50 CGGA COc1cc(Br)ccc1OCCCl 66325625 QRESQNWVLWNJOH-UHFFFAOYSA-N 265.534 3.075 50 50 CGGA O=C(N/N=C/c1ccccc1O)c1cccc2ccccc12 282133 XBOYSPDHMHKBDG-XDHOZWIPSA-N 290.322 3.309 50 50 CGGA CCN(CC)C(=O)O[C@@H](Cl)C(Cl)(Cl)Cl 3075372 LJQDADHDTDOYLQ-RXMQYKEDSA-N 282.982 3.400 50 50 CGGA O=C1c2ccccc2C(=O)c2cc(CCl)ccc21 4277114 NVUYDKYMEMGYFP-UHFFFAOYSA-N 256.688 3.201 50 50 CGGA O=C(NN=C1CCCCC1)c1cccc(Cl)c1 4976320 FQNOGQXVUPHISU-UHFFFAOYSA-N 250.729 3.390 50 50 CGGA C[C@](Br)(CBr)c1ccncc1 118579342 QMDGGCNFVAXDKW-QMMMGPOBSA-N 278.975 3.087 50 50 CGGA CC1(C)C[C@@]23CC=CC[C@]2(C1)CS(=O)(=O)[C@H]3Cl 45071185 AMCLXVINJFAWJQ-KGYLQXTDSA-N 274.813 3.123 50 50 CGGA O=[N+]([O-])c1cc(Br)ccc1CBr 39280913 NHSJBMQFFQYDGQ-UHFFFAOYSA-N 294.930 3.252 50 50 CGGA in-vitro COC(=O)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)o1 4529517 NXVXRGUBWXJTHR-CSKARUKUSA-N 293.282 3.007 50 50 CGGA FC(F)(F)c1ccc(-c2noc(CCl)n2)cc1 12374748 CZMWNOPTKAFPDG-UHFFFAOYSA-N 262.618 3.494 50 50 CGGA Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1 5023510 UVSKRWHGMNIOLU-UVTDQMKNSA-N 278.311 3.246 50 50 CGGA CCOc1ccc(C(=O)N/N=C(/C)c2ccccc2)cc1 65237 IEDZEAJMTZHNCZ-AQTBWJFISA-N 282.343 3.239 50 50 CGGA O=C(CBr)c1ccc(F)cc1Br 71790213 AIGCKWMUTQKRNA-UHFFFAOYSA-N 295.933 3.166 50 50 CGGA COc1nccc(CBr)c1C(F)(F)F 238424564 YWIGEYLUBTYLRO-UHFFFAOYSA-N 270.048 3.004 50 50 CGGA C[N+](C)(C)CCCCSSCCCC[N+](C)(C)C 2900790 KRVCVFISSINPIF-UHFFFAOYSA-N 294.574 3.341 50 50 CGGA Cc1cc(C(=O)N/N=C/c2ccc(C)s2)cs1 373932 RXAIXPDTFHYFSQ-AWNIVKPZSA-N 264.375 3.190 50 50 CGGA C[C@H](Cl)C(=O)NCc1cnc(-c2ccccc2)s1 1875364949 YWHWFINSGLEKTJ-VIFPVBQESA-N 280.780 3.054 50 50 CGGA CCS[C@@H]1CCCCN(C(=O)C2CC(Cl)C2)C1 585132541 ZEYQWURLUVQYGH-HTAVTVPLSA-N 275.845 3.138 50 50 CGGA Cc1cccc(NC(=O)[C@H](C)Br)c1C 32919871 XEEHDXNRTRJBRE-VIFPVBQESA-N 256.143 3.025 50 50 CGGA in-vitro C[C@@H](Br)C(=O)Nc1ccccc1C(F)(F)F 32919866 XIWMZTOAUKQLAP-ZCFIWIBFSA-N 296.086 3.427 50 50 CGGA Cc1ccc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 1233831 OHXJGGTYWZAIAL-JQXMUZPYSA-N 278.355 3.249 50 50 CGGA O=C(CBr)c1ccc(F)cc1C(F)(F)F 2243366 UODSLDBFTFFTRT-UHFFFAOYSA-N 285.034 3.422 50 50 CGGA in-vitro C[C@@H]1CCc2c(sc(NC(=O)CCCl)c2C#N)C1 3269159 QKEWDWLJUJHGPX-MRVPVSSYSA-N 282.796 3.312 50 50 CGGA CC(C)(C)OC(=O)CCCCCBr 35785480 PSELCIMQRLODQE-UHFFFAOYSA-N 251.164 3.283 50 50 CGGA CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1 6382 NISLLQUWIJASOV-UHFFFAOYSA-N 296.370 3.272 50 50 CGGA in-vitro CCCC1(CCC)[C@@H](CC)[C@H]1/C(C)=N/NC(N)=O 4947759 KLGBWJHOHXLSPX-AWOYWQDDSA-N 253.390 3.273 50 50 CGGA O=C(Cl)/C=C/c1ccc(/C=C/C(=O)Cl)cc1 68563229 WQZLRZFBCIUDFL-KQQUZDAGSA-N 255.100 3.244 50 50 CGGA Br[C@H]1[C@H]2CC[C@H]1N(Cc1ccccc1)C2 255979195 IOFSXPYIRVBNDN-XQQFMLRXSA-N 266.182 3.044 50 50 CGGA N#C/C=C1\[C@@H]2C[C@@H]3/C(=C\C#N)[C@@H]4[C@@H]5C=C[C@@H]6[C@@H]1[C@@H]1[C@@H]2[C@@H]3[C@H]4[C@H]1[C@H]65 257346448 GLRCUDFZDJUISA-OCYFCNDOSA-N 298.389 3.322 50 50 CGGA C[C@H](Br)C(=O)c1ccc(Br)cc1 158252 GKALOSTUZMFUQB-LURJTMIESA-N 291.970 3.415 50 50 CGGA O=[N+]([O-])c1ccc(OCCCCBr)cc1 2571602 DBRBCFJUEVSKGZ-UHFFFAOYSA-N 274.114 3.149 50 50 CGGA CC[C@H](Br)C(=O)N[C@@H](C)CCc1ccccc1 32919903 UYQUUPBNGHHXGK-AAEUAGOBSA-N 298.224 3.297 50 50 CGGA CC(C)N(CCc1ccc(F)cc1F)C(=O)[C@@H](C)Cl 1875380138 GERJAPHPEFIKFX-SNVBAGLBSA-N 289.753 3.372 50 50 CGGA O=C(OCCCCCCl)c1ccc([N+](=O)[O-])cc1 1676680 ICQZLWQDVROUEC-UHFFFAOYSA-N 271.700 3.161 50 50 CGGA O=C1OC(=O)[C@]23CCCC[C@@]12CC=C1CCCC[C@@H]13 101046025 ISHHSFXBLIFMIK-APHBMKBZSA-N 260.333 3.137 50 50 CGGA COc1ccccc1C[C@H](C)N(C)C/C=C(\C)C#N 952994725 UKPIFDXIJNBNIM-SSUFTNFISA-N 258.365 3.028 50 50 CGGA CC(C)(C)[C@H](N)CP(c1ccccc1)c1ccccc1 100018190 SGBNMEAXYLJQRV-QGZVFWFLSA-N 285.371 3.493 50 50 CGGA CC1=C(C#N)[C@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 100329994 ILPDBKNHQWMHEL-INIZCTEOSA-N 293.370 3.209 50 50 CGGA C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C\c1cccs1 5016925 VIWXNMVNVMMHTM-CDVNNQLASA-N 262.378 3.025 50 50 CGGA COc1cc(NC(=O)C(Cl)Cl)c(OC)cc1Cl 293900 HVJVIECQQSLZNR-UHFFFAOYSA-N 298.553 3.099 50 50 CGGA O=C(NN=C1CCCCC1)c1cccc(Br)c1 283448 JNYAJKFLPXJVTC-UHFFFAOYSA-N 295.180 3.499 50 50 CGGA O=C(Nc1ccccc1)[C@@H](Cl)C(=O)c1ccccc1 363048 NGLHXBUDCGSGPT-ZDUSSCGKSA-N 273.719 3.115 50 50 CGGA C[C@H](Cl)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 37389573 DBXAQSNYAHLLSH-SFYZADRCSA-N 282.796 3.310 50 50 CGGA C[C@H](c1ccccc1)[C@@H]1C(C#N)=C(N)Oc2cc(N)ccc21 2939594 VYSXFKKNTHCCMU-DIFFPNOSSA-N 291.354 3.242 50 50 CGGA O=C(Cl)c1ccc(Cl)cc1Br 67800112 MZMZIXOCJASTPY-UHFFFAOYSA-N 253.910 3.482 50 50 CGGA Cc1oc2ccccc2c1CCNC(=O)[C@H](C)Cl 1875377545 GTEKTLZHKQGZHA-VIFPVBQESA-N 265.740 3.027 50 50 CGGA N#C/C(=C/c1ccc(OCC(=O)O)cc1)c1cccc(F)c1 4739839 OPEODDCRPWASHA-ZSOIEALJSA-N 297.285 3.353 50 50 CGGA C[C@H](Cl)C(=O)NCc1csc2ccccc12 1875363481 DKSBGCNHUCBEIO-QMMMGPOBSA-N 253.754 3.145 50 50 CGGA C/C(=N\NC(=O)c1ccccc1O)c1ccc(Cl)s1 5006041 QEOJACAUOSOQRU-OVCLIPMQSA-N 294.763 3.261 50 50 CGGA CC(/C=C/c1ccco1)=N/NC(=O)CNc1ccc(C)cc1 16671442 GSYIVCIFLCMOIU-VAVYRGOBSA-N 297.358 3.205 50 50 CGGA N#Cc1cc(CBr)cc(CBr)c1 169537213 RPUUHCFKDYQOME-UHFFFAOYSA-N 288.970 3.348 50 50 CGGA CC(C)(C)[Si](C)(C)OCc1cnc(C=O)s1 220847760 TZPIYEXLEOWNBF-UHFFFAOYSA-N 257.431 3.477 50 50 CGGA C[C@H](Cc1ccc2c(c1)CCC(C)(C)O2)NC(=O)CCl 1875376529 ZWLHBYZBWYRODC-LLVKDONJSA-N 295.810 3.076 50 50 CGGA Cc1cc(C)cc(P(=O)(O)c2cc(C)cc(C)c2)c1 114941539 FMSREEOWTKNAQP-UHFFFAOYSA-N 274.300 3.141 50 50 CGGA C[C@H](Cl)C(=O)N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C 718106101 NXDDLOQEKKWAAT-YUTCNCBUSA-N 295.810 3.114 50 50 CGGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cccnc1 32461 HBHUJNNOUCWBOY-CAOOACKPSA-N 294.141 3.152 50 50 CGGA CC1=NC(C#N)=C(C#N)N[C@@H](c2c(F)cccc2Cl)C1 1384340 JTHRQQGJOBUXAL-LLVKDONJSA-N 288.713 3.233 50 50 CGGA C[Si](C)(C)[C@H](C#N)C1(O)[C@H]2C=C[C@H]1[C@H]1C=C[C@H]2C1=CC#N 257356085 FPOVCSHSUQUVQY-GHQXZYDUSA-N 296.446 3.017 50 50 CGGA Fc1cc(Br)cc(F)c1N=C=S 15444580 DKMIUJJMEGJAHP-UHFFFAOYSA-N 250.067 3.462 50 50 CGGA COc1cccc(CN2C[Si](C)(C)O[Si](C)(C)C2)c1 169819949 CUYLJVJMQPPTOS-UHFFFAOYSA-N 295.531 3.016 50 50 CGGA C=C(c1ccccc1)[Si](OCC)(OCC)OCC 170160366 DKFGYGJKRWRIPR-UHFFFAOYSA-N 266.413 3.287 50 50 CGGA CCOc1ccccc1NC(=O)[C@@H](Br)CC 32919633 DFVIVQMFALBIRN-VIFPVBQESA-N 286.169 3.197 50 50 CGGA CC1=C(C#N)C(c2ccc(F)cc2)C(C#N)=C(C)N1 19419663 WYWVNWSVMJRXEB-UHFFFAOYSA-N 253.280 3.108 50 50 CGGA CC(C)[C@H](Br)C(=O)N[C@@H]1CCCC[C@H]1C 238856547 WEOVVBCNLWNKKA-MXWKQRLJSA-N 276.218 3.101 50 50 CGGA in-vitro C[C@@H]1CCC/C(=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)C1 4949263 UPXNXQWSYDTWFQ-BBFASJPCSA-N 270.376 3.472 50 50 CGGA Cc1cc(C(F)(F)F)n(-c2nc(CCl)cs2)n1 1384248 UWVYQNOCNZSLDD-UHFFFAOYSA-N 281.690 3.395 50 50 CGGA CC(C)(C)OC(=O)N1CC=C(O[Si](C)(C)C)CC1 169746518 FHMYTVUBQZSSNY-UHFFFAOYSA-N 271.433 3.363 50 50 CGGA COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1C 2325809477 ZIVWCLGCVVAUGZ-WOJGMQOQSA-N 282.343 3.076 50 50 CGGA C[C@H](N)[C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1 100032557 XAHGRENZGHEKOY-HNNXBMFYSA-N 292.342 3.199 50 50 CGGA N#CC(=C=N)C1=CC2=CC(=C(C#N)C#N)CC[C@H]2CC1 140118067 DARIFMMMJKTTKA-LLVKDONJSA-N 260.300 3.085 50 50 CGGA C/C(=N\NC(=O)c1ccoc1)[C@H]1C[C@@H]1c1ccccc1 222172415 XXQULVVYKZMMKE-DSWHRGLISA-N 268.316 3.189 50 50 CGGA Cc1ccc(C)n1/C(C#N)=C(/C#N)NC(=O)C1CCCCC1 4088993 CBPCTAPWIUWCOX-NXVVXOECSA-N 296.374 3.017 50 50 CGGA CC(=O)N/N=C/c1c(-c2ccccc2)n(C)c2ccccc12 3199918 YTEROQSUNPKVCP-XDHOZWIPSA-N 291.354 3.315 50 50 CGGA CC(C)(C)OC(=O)NN=Cc1ccc2c(c1)CCC2 16980508 URNFNRBZQMTDNW-UHFFFAOYSA-N 260.337 3.034 50 50 CGGA O=[N+]([O-])c1ccc(Br)c(CCl)c1 150075156 NPCZJYAWKFYBNA-UHFFFAOYSA-N 250.479 3.096 50 50 CGGA FC(F)(F)c1cccc(OCCBr)c1 2558768 NZOCBKYAZHDTDD-UHFFFAOYSA-N 269.060 3.479 50 50 CGGA in-vitro C[C@H](Cl)C(=O)N[C@@H](CC1CCCCC1)c1ncccn1 1875364022 ACOVONGEBMERBC-AAEUAGOBSA-N 295.814 3.232 50 50 CGGA O=C(N/N=C/c1cccs1)c1cccc(Cl)c1 62753 PGCLUXCFPDLOLH-RIYZIHGNSA-N 264.737 3.165 50 50 CGGA N#CC1=C(C2CC2)C[C@@H](c2ccccc2)C(C#N)=C1N 4032182 JPWZQPMQUSGLCA-ZDUSSCGKSA-N 261.328 3.140 50 50 CGGA BrP(Br)Br 242522363 IPNPIHIZVLFAFP-UHFFFAOYSA-N 270.686 3.398 50 50 CGGA Cc1occc1C(=O)N/N=C/C=C/c1ccccc1 2218205 YKQRPDWGZFHRFB-SDKHNTRVSA-N 254.289 3.017 50 50 CGGA C[C@@H](Br)C(=O)Nc1cccc(Cl)c1 5677192 AQCUZZDNJGESDZ-ZCFIWIBFSA-N 262.534 3.062 50 50 CGGA CC(C)[C@@H](N)CP(c1ccccc1)c1ccccc1 59058475 ZZLCXURCZWQECA-KRWDZBQOSA-N 271.344 3.103 50 50 CGGA COc1ccccc1P(c1ccccc1)c1ccccc1 79238219 GBXNVYBGIFEOEM-UHFFFAOYSA-N 292.318 3.453 50 50 CGGA [C-]#[N+][C@@H](C1CCCC1)S(=O)(=O)c1ccc(C)cc1 100000487 SNBRQNBTPMQAPH-CQSZACIVSA-N 263.362 3.204 50 50 CGGA C[C@@H](Cl)C(=O)Nc1ccccc1Br 19488650 LOJODIYHVDULGA-ZCFIWIBFSA-N 262.534 3.015 50 50 CGGA CCCCC[C@@H]1C[C@@H]1C(=O)N/N=C/c1ccc(C)o1 4964698 BBKIXSVVTNVOLI-XYZGBQHVSA-N 262.353 3.255 50 50 CGGA N#Cc1c(Br)cccc1CBr 114153036 LYNUURAMENQBRI-UHFFFAOYSA-N 274.943 3.216 50 50 CGGA C[C@H](Cl)C(=O)Nc1ccc2nc(C3CC3)oc2c1 1875364162 GJGCLSMUSANFDH-ZETCQYMHSA-N 264.712 3.271 50 50 CGGA Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)C2=C(C#N)C#N 533655 UNTXAUIZMPXMMI-LLVKDONJSA-N 291.354 3.428 50 50 CGGA Cc1nc2ccc(-c3nnc(CCl)o3)cc2nc1C 3883521 YDBUYGGWNJPSQJ-UHFFFAOYSA-N 274.711 3.035 50 50 CGGA C[C@H](Cl)C(=O)N[C@H](C)c1cc(Cl)cc2c1OCC2 1875366982 BAGWBSHOYZBSIG-JGVFFNPUSA-N 288.174 3.079 50 50 CGGA O=C(CCl)Nc1sccc1C(=O)c1ccccc1 334375 BJVLPJWFHQXLPZ-UHFFFAOYSA-N 279.748 3.156 50 50 CGGA CCCCCCCC(=O)NNC(=O)c1cccc(C)c1 2865045 KWFLAKIJDPXVHC-UHFFFAOYSA-N 276.380 3.117 50 50 CGGA CC(C)(C)OC(=O)N1CCC[C@H](CBr)C1 26895366 MGGZYACWICDRRD-SECBINFHSA-N 278.190 3.028 50 50 CGGA in-vitro Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(O)c2)c1 4723652 QNDZXCRGQKXWNQ-ZROIWOOFSA-N 278.311 3.246 50 50 CGGA O=C(N/N=C/c1ccco1)c1ccc(OC2CCCC2)cc1 2807724 TYWIXLPTPNIJMP-LDADJPATSA-N 298.342 3.365 50 50 CGGA CC(C)O[Si](C)(C)O[Si](C)(C)OC(C)C 196336851 HCBZYYDHYFFORG-UHFFFAOYSA-N 250.487 3.257 50 50 CGGA BrCCCCCCO[C@@H]1CCCCO1 2522624 CWSSIUJITPYGLK-NSHDSACASA-N 265.191 3.485 50 50 CGGA O=C(Cl)c1c(F)ccc(F)c1Br 67800108 ODQVWLRLCLIJGV-UHFFFAOYSA-N 255.445 3.106 50 50 CGGA O=C(CBr)Cc1ccc(Cl)cc1Cl 88190277 CCOKJVIFPHPGTC-UHFFFAOYSA-N 281.964 3.500 50 50 CGGA CSc1ccc(/C=N/NC(=O)Cc2cccs2)cc1 73115 WAUGVSBINTWODM-XNTDXEJSSA-N 290.413 3.163 50 50 CGGA C/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cccs1 4946762 GSMWWBMUSIFMDC-COEKHNBSSA-N 284.384 3.392 50 50 CGGA O=C1OC(=O)[C@]23CCCC[C@@]12CC=C1CCCC[C@H]13 104285194 ISHHSFXBLIFMIK-DAXOMENPSA-N 260.333 3.137 50 50 CGGA CN(C)C(Sc1ccc(C(F)(F)F)cn1)=C(C#N)C#N 1399985 SRYKOZWOCCXENX-UHFFFAOYSA-N 298.293 3.013 50 50 CGGA COc1ccc(CC(=O)Cl)c(C(F)(F)F)c1 263625155 XFIJOHYARTZSCW-UHFFFAOYSA-N 252.619 3.022 50 50 CGGA Cc1ccc(OCCOCCBr)c(C)c1 2896658 SLMNFISNPZXWIQ-UHFFFAOYSA-N 273.170 3.094 50 50 CGGA C[C@H](Cl)C(=O)N1CC[C@H](c2cc3ccccc3[nH]2)C1 1875366923 YIYIQCZFFUIMME-JQWIXIFHSA-N 276.767 3.111 50 50 CGGA Cc1cccc(C)c1NC(=O)N/N=C\c1ccccc1 4991955 KYUXNJHOOWMUCT-BOPFTXTBSA-N 267.332 3.459 50 50 CGGA O=C(N/N=C\c1c[nH]c2ccccc12)[C@@H]1[C@H]2CCCC[C@H]21 252320712 OULDITXIYNXNCL-CCLBQEPTSA-N 281.359 3.054 50 50 CGGA CCN(Cc1ccc2ccccc2n1)C(=O)[C@H](C)Cl 1875364356 LVXAFEACPNCBCU-NSHDSACASA-N 276.767 3.211 50 50 CGGA CC(C)(C)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1 431572 YVPKUQXFWSBOBB-XDHOZWIPSA-N 296.370 3.454 50 50 CGGA O=C(CBr)c1ccc(F)cc1Cl 16158423 GPPRXWUEJFPEDL-UHFFFAOYSA-N 251.482 3.057 50 50 CGGA in-vitro CC1=C(C#N)[C@@H](C(C)C)C2=C(CC(C)(C)CC2=O)N1 407592 BOGYSWDVBGOGFV-CQSZACIVSA-N 258.365 3.303 50 50 CGGA O=C(OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 1874234 QIXRWIVDBZJDGD-UHFFFAOYSA-N 273.244 3.310 50 50 CGGA OC[C@@H](O)COc1ccc(S(F)(F)(F)(F)F)cc1 108741704 OOHRSRMBQSIGLR-SSDOTTSWSA-N 294.241 3.076 50 50 CGGA Cc1ccc(NC(=O)[C@@H](C)Br)c(Cl)c1 58840907 ULIMURDXVKLIML-SSDOTTSWSA-N 276.561 3.370 50 50 CGGA O=C(CCl)NCC(c1ccccc1)c1ccccc1 12505000 UVBXCNDFSWKPKY-UHFFFAOYSA-N 273.763 3.174 50 50 CGGA Cc1cccc(NC(=O)/C(C#N)=C\c2ccco2)c1 5059119 YKTSGSUXMSMEHN-XFXZXTDPSA-N 252.273 3.134 50 50 CGGA O=C(CCCC[C@@H]1CCSS1)NCCn1cccc1 267200292 LKUZQPMERPEQIR-CYBMUJFWSA-N 298.477 3.318 50 50 CGGA biogenic CCOc1ccccc1C1=NO[C@@H]([C@@H](C)Cl)C1 217005349 AXYFIOVJBUADAQ-NOZJJQNGSA-N 253.729 3.206 50 50 CGGA O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccncc1 230906 QUEWUOJFERKSEI-CAOOACKPSA-N 294.141 3.152 50 50 CGGA COc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1 435793 JOHXOLHLTZGKTE-LICLKQGHSA-N 288.734 3.113 50 50 CGGA CC[C@@H](Br)C(=O)Nc1cc(C)ccc1C 9096057 KQZPDVNXBCUMIP-SNVBAGLBSA-N 270.170 3.415 50 50 CGGA CCC(=O)NN(Cc1ccccc1)c1ccccc1 270427 LANIZDAAWSSZQK-UHFFFAOYSA-N 254.333 3.134 50 50 CGGA biogenic CC(C)(C)OC(=O)N1CCC[C@]1(C#N)CCCCl 138951824 FZLLKOINPCAUIK-ZDUSSCGKSA-N 272.776 3.299 50 50 CGGA O=C(N/N=C/C(Cl)=C/c1ccccc1)c1ccco1 72660 AKHFEMBMIPNCMV-VOANPMSRSA-N 274.707 3.275 50 50 CGGA Cc1nn(Cc2ccc(F)cc2)c(C)c1N=C=S 2536602 FLOHGHPFAPCJQY-UHFFFAOYSA-N 261.325 3.422 50 50 CGGA O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccccc1 175352 BTIQROIQLIVGNC-GZTJUZNOSA-N 272.735 3.033 50 50 CGGA COC(=O)c1c(Cl)cccc1CBr 2599131 NJTSSAZFZFNFPO-UHFFFAOYSA-N 263.518 3.022 50 50 CGGA Cc1ccc(NC(=O)[C@H](C)Br)cc1C 41699202 MQDLHUBHRZTVRY-VIFPVBQESA-N 256.143 3.025 50 50 CGGA O=C(CCl)[C@@H]1C[C@H]1c1csc(Br)c1 1857784539 JZMXJEKDYDOHFO-NKWVEPMBSA-N 279.586 3.422 50 50 CGGA Cc1cc(NC(=O)[C@H](C)Br)ccc1Cl 41672543 ASRXGIXUGOFKDX-ZETCQYMHSA-N 276.561 3.370 50 50 CGGA N#C/C(=C\c1c(-c2ccccc2)[nH]c2ccccc12)C(N)=O 320776 OIKNTAGTPOLQJF-JLHYYAGUSA-N 287.322 3.227 50 50 CGGA O=C(CBr)Nc1ccccc1C(F)(F)F 5867966 KVOUZQGLRKVPML-UHFFFAOYSA-N 282.059 3.039 50 50 CGGA Cc1cc2nc(C(Cl)Cl)nc(-c3ccco3)n2n1 1775976094 OHYFOFNECBTXHB-UHFFFAOYSA-N 283.118 3.169 50 50 CGGA OC[C@H](Cl)[C@@H]1CCCCCCCCCC[C@H]1O 254762574 GVUJCTTYUDBJOS-MELADBBJSA-N 262.821 3.478 50 50 CGGA CC(C)N(CCc1ccc(F)cc1F)C(=O)[C@H](C)Cl 1875380137 GERJAPHPEFIKFX-JTQLQIEISA-N 289.753 3.372 50 50 CGGA CC1CCC(=NNC(=O)COc2ccc(Cl)cc2)CC1 4365998 VWAGXHVSXQYBGU-UHFFFAOYSA-N 294.782 3.401 50 50 CGGA CCc1nc2c(s1)[C@@H](N(C)C(=O)[C@@H](C)Cl)CCC2 1875364640 PCYCRPNOLOKUSL-SCZZXKLOSA-N 286.828 3.169 50 50 CGGA CCOc1ccccc1C1=NO[C@H]([C@@H](C)Cl)C1 217005341 AXYFIOVJBUADAQ-RNCFNFMXSA-N 253.729 3.206 50 50 CGGA CC[C@@H](Br)C(=O)Nc1ccc(C)c(C)c1 32919682 KZHUKGLYVAKURF-LLVKDONJSA-N 270.170 3.415 50 50 CGGA O=C(CCl)NCc1ccc(-c2cccs2)cc1 1875367675 CVVBZWWUXYCBJA-UHFFFAOYSA-N 265.765 3.270 50 50 CGGA CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12C=CC(=O)O2 169834319 YRAQDNSUNKZDJX-RISCZKNCSA-N 268.429 3.413 50 50 CGGA CC(/C=N/NC(=O)c1cc(C(C)C)n[nH]1)=C\c1ccccc1 9042958 WFBYKVBYAXSNGI-GHDXNLEMSA-N 296.374 3.352 50 50 CGGA CC(C)[C@@H]1[C@@H]2C[C@H](C)CC=C2C(C#N)=C(N)C1(C#N)C#N 243956714 CCMTYXWYDBZHCU-UXIGCNINSA-N 280.375 3.015 50 50 CGGA Cl[C@H]1[C@@H]2[C@H]3[C@H]4[C@H]5[C@H]6[C@@H]([C@@H]1[C@H]36)[C@H](Cl)[C@@H]5[C@@H]1CC[C@H]2[C@@H]41 254764971 SMHJZFQASXJKMV-JYFLEXFLSA-N 281.226 3.471 50 50 CGGA C/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccs1 4946761 GSMWWBMUSIFMDC-VWSNEOMBSA-N 284.384 3.392 50 50 CGGA C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(C)cc1 4990412 CLJUVUYRSXWWDK-LDADJPATSA-N 270.307 3.288 50 50 CGGA C[C@H](Cl)C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 1875377249 BBGSDIGUZGESQS-GXFFZTMASA-N 295.814 3.119 50 50 CGGA O=C(CBr)C12CC3CC(CC(C3)C1)C2 154738 KWCDIRFSULAMOC-UHFFFAOYSA-N 257.171 3.167 50 50 CGGA in-vitro O=C(CCl)Nc1ccccc1Cc1ccccc1 3269738 YZCYKOPNFLUUIN-UHFFFAOYSA-N 259.736 3.455 50 50 CGGA in-vitro CCOC(=O)/C(C#N)=C/c1cccc(OC(F)(F)F)c1 169620335 AZHDVDXWRLOFJB-UXBLZVDNSA-N 285.221 3.055 50 50 CGGA C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1O 100290419 ILGFDBLGQSZAHN-KHIIKVJLSA-N 294.354 3.036 50 50 CGGA N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 5204450 QEXDYRFTUMHTEQ-UVTDQMKNSA-N 278.267 3.385 50 50 CGGA C[C@@H](Cl)C(=O)N(c1ccc(C#N)cc1)C1CCC1 1875377610 IPLCYOSUETYCGZ-SNVBAGLBSA-N 262.740 3.071 50 50 CGGA Oc1cc(CBr)cc(CBr)c1 1420774 APVHBKWRCCBVFK-UHFFFAOYSA-N 279.959 3.182 50 50 CGGA Fc1cccc(Br)c1CBr 54967664 YCICURIWHWLGTN-UHFFFAOYSA-N 267.923 3.483 50 50 CGGA in-vitro O=C(N/N=C/c1c(O)ccc2ccccc12)c1cccs1 116357 GDIIDJFJQPVPOO-LICLKQGHSA-N 296.351 3.371 50 50 CGGA O=C(N/N=C/c1ccccc1Cl)c1cccc(F)c1 298629 QMSQGTWIDROFKH-RQZCQDPDSA-N 276.698 3.243 50 50 CGGA Cc1cc(C)c(/C=N/NC(=O)c2ccc(O)cc2)c(C)c1 288554 FEJBYZVLKCSUQM-VCHYOVAHSA-N 282.343 3.081 50 50 CGGA CC(C)c1cc(C(=O)N/N=C/c2ccccn2)cs1 2749353 FEHRAWKXORBGKJ-LZYBPNLTSA-N 273.361 3.030 50 50 CGGA O=C(CBr)c1ccc2ccccc2c1O 37638496 ADLPBUIQLXKAAC-UHFFFAOYSA-N 265.106 3.123 50 50 CGGA O=C(Cl)c1cc(F)c(Br)c(F)c1 255187405 DIZWAHDYKCDPQU-UHFFFAOYSA-N 255.445 3.106 50 50 CGGA CCOc1ccccc1/C=N/NC(=O)c1cccc(C)c1 38924 UYQAXJZIHAYCNU-LDADJPATSA-N 282.343 3.158 50 50 CGGA CC(C)(C)c1ccc(/C=N/NC(=O)c2cccnc2)cc1 227632 JINZAUYKJDVFQC-YBFXNURJSA-N 281.359 3.143 50 50 CGGA CCCCC[C@H]1C[C@@H]1C(=O)N/N=C/c1ccc(C)o1 4964699 BBKIXSVVTNVOLI-TUTVODKGSA-N 262.353 3.255 50 50 CGGA C[C@@H](Cl)C(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 1875364190 JMXKDAJZHNQJST-RISCZKNCSA-N 280.799 3.043 50 50 CGGA C/C(=N\NC(=O)c1ccoc1)[C@H]1C[C@H]1c1ccccc1 585146016 XXQULVVYKZMMKE-NIRMRBTQSA-N 268.316 3.189 50 50 CGGA C[C@H](Cl)C(=O)NC(C)(C)Cc1ccc(F)cc1F 1875367435 ATKYDCOYXARWQC-QMMMGPOBSA-N 275.726 3.029 50 50 CGGA CC1(C)C(C(=O)OC(=O)C2C(C)(C)C2(C)C)C1(C)C 100541888 QRVTXNZBOLDQGC-UHFFFAOYSA-N 266.381 3.421 50 50 CGGA CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@@H](O)CCl 146675764 HCHFVUYSXVENKM-ZDUSSCGKSA-N 299.798 3.023 50 50 CGGA Cc1ccccc1/C=N/NC(=O)Nc1ccccc1 297919 GDCFEWUQBYJDDQ-LFIBNONCSA-N 253.305 3.151 50 50 CGGA CC[C@H]1CCc2c(sc(NC(=O)CCl)c2C#N)C1 5476894 MODXYKLCFWAIIU-QMMMGPOBSA-N 282.796 3.312 50 50 CGGA CCCCOC(=O)N/N=C/c1ccc(Cl)cc1 2831353 UDKALLLNSLXEMJ-NTEUORMPSA-N 254.717 3.200 50 50 CGGA O=C(NCCBr)Nc1cccc2ccccc12 1694958 UYRKSBVISFHOBG-UHFFFAOYSA-N 293.164 3.356 50 50 CGGA CCOC(=O)NNC(=N)N(c1ccccc1)c1ccccc1 6418323 QESSVUIZYJYMJF-UHFFFAOYSA-N 298.346 3.010 50 50 CGGA C[C@@H]1[C@@H]2C[C@@H](C(C)(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N 106233778 YWNLJOXMFLFSCZ-DYEKYZERSA-N 294.402 3.405 50 50 CGGA C[C@H](Cl)C(=O)N1CCc2oc(-c3ccccc3)cc2C1 1875379943 ACFZRZKBBIRGMX-NSHDSACASA-N 289.762 3.459 50 50 CGGA O=C(N/N=C/c1ccco1)Nc1cccc(Cl)c1 93997 NGVXMSPIQNGWFB-RIYZIHGNSA-N 263.684 3.089 50 50 CGGA CC(/C=C/c1ccccc1)=N\NC(=O)c1ccccc1O 5289441 UOFPJBMDGDAKQJ-RZMWGWOTSA-N 280.327 3.211 50 50 CGGA N#C/C=C1\[C@@H]2C[C@@H]3/C(=C\C#N)[C@H]4[C@H]5[C@@H]6[C@@H]([C@@H]2[C@@H]35)[C@H]1[C@H]1C=C[C@@H]4[C@H]61 257346446 GLRCUDFZDJUISA-HGNKHRDKSA-N 298.389 3.322 50 50 CGGA ClCc1nnc(-c2ccc(Br)cc2)o1 3269753 JJZRXTXSRJLBRX-UHFFFAOYSA-N 273.517 3.238 50 50 CGGA in-vitro Cc1c(CCCl)sc[n+]1Cc1ccccc1 3091291 WSPSIIOSRYZMGZ-UHFFFAOYSA-N 252.790 3.174 50 50 CGGA CC[C@H](C)[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 115219 KCBXGLSZWOIDMH-ZANVPECISA-N 274.364 3.016 50 50 CGGA O=C(N[C@@H]1c2ccccc2[C@H]2CC[C@H]1C2)[C@@H](F)Cl 2325897784 IUXBPAJRYQYQQK-WTTBSCSTSA-N 267.731 3.276 50 50 CGGA CCCc1c(OCCCl)ccc(C(C)=O)c1O 6757536 BQWFOWVJOBFTPY-UHFFFAOYSA-N 256.729 3.165 50 50 CGGA Br[C@@H]1[C@H]2CC[C@H]1N(Cc1ccccc1)C2 100194307 IOFSXPYIRVBNDN-YNEHKIRRSA-N 266.182 3.044 50 50 CGGA O=C(Cl)c1cc(F)c(F)c(Br)c1 263622773 AUSOOCFTROWMKG-UHFFFAOYSA-N 255.445 3.106 50 50 CGGA CN1/C(=C\C=C(/C#N)C(N)=S)C(C)(C)c2ccccc21 685944487 RFLOCIQDFQZAJR-GZESYCOQSA-N 283.400 3.034 50 50 CGGA Clc1ncc2scc(CBr)c2n1 97758753 CDBPJDYMMIHRPG-UHFFFAOYSA-N 263.547 3.240 50 50 CGGA C[C@H](Cl)C(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1875363807 ARBHJLUTWSXPNG-CFVMTHIKSA-N 295.810 3.240 50 50 CGGA C[C@H]1[C@@H](C)N(C)CC[C@@]1(OC(=O)CCl)c1ccccc1 253470788 DQXDAFWSTAKYBS-ZENOOKHLSA-N 295.810 3.024 50 50 CGGA O=C=Nc1c(F)cc(Br)cc1Br 2387336 BNYTXVLIRGCMKC-UHFFFAOYSA-N 294.905 3.318 50 50 CGGA Cc1ccc2cc(NC(=O)[C@@H](C)Br)ccc2n1 3160087 JUNGXTOXSAAIKU-SECBINFHSA-N 293.164 3.265 50 50 CGGA COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O)c2C)cc1 3305392 JIVABGGYCQYCOU-NTEUORMPSA-N 296.326 3.094 50 50 CGGA BrCc1ccc(-c2csnn2)cc1 158838 DGHQOPZIGDRUIT-UHFFFAOYSA-N 255.140 3.100 50 50 CGGA ClC(Cl)(Cl)CCI 885163370 MTFIYGGKODCWAK-UHFFFAOYSA-N 273.328 3.182 50 50 CGGA O=C1OC(=O)[C@]23CC=C4CCCC[C@@H]4[C@]12CCCC3 101046021 ISHHSFXBLIFMIK-VBNZEHGJSA-N 260.333 3.137 50 50 CGGA C[C@H](Cl)C(=O)Nc1sc2c(c1C#N)CCCCC2 8037157 ZTXAOUYXPATJLR-QMMMGPOBSA-N 282.796 3.454 50 50 CGGA CC(C)C[C@@H]1[C@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 34954480 ZVVCSBTWLDMAIV-DZGCQCFKSA-N 280.375 3.159 50 50 CGGA Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1c(C)n[nH]c1C 222090662 HJEWXKBMIVHRHU-RIYZIHGNSA-N 294.358 3.189 50 50 CGGA O=C(NN=C1c2ccccc2-c2ccccc21)c1ccccn1 274926 HIZVFUNZHBQMHD-UHFFFAOYSA-N 299.333 3.244 50 50 CGGA aggregator O=C(NCc1ccc(Cl)c(Cl)c1)C(Cl)Cl 474699 RLRCUBUGIYZFNP-UHFFFAOYSA-N 286.973 3.413 50 50 CGGA O=C(Nc1ccc2c(c1)OCO2)[C@H](Cl)c1ccccc1 36719892 CJKPHZOORSQRPB-CQSZACIVSA-N 289.718 3.334 50 50 CGGA O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95681928 HRBNMYUNLLWPAX-UHFFFAOYSA-N 282.489 3.220 50 50 CGGA in-vitro N#C/C(=C/c1ccccn1)c1ccc([N+](=O)[O-])cc1 5031559 SENIVDFQJLMTFW-XFXZXTDPSA-N 251.245 3.054 50 50 CGGA N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1C1CCCCC1 115352 RCUHKPVJTMSGQZ-HNNXBMFYSA-N 270.332 3.142 50 50 CGGA CCCCCC(=O)N/N=C(\C)c1ccc(OC)c(OC)c1 4989809 LTUBOSDNNTWFBI-SFQUDFHCSA-N 292.379 3.124 50 50 CGGA CC1=NC(C#N)=C(C#N)N[C@@H](c2ccc(Cl)cc2)C1 1384342 VCHSKESRCRYHLP-GFCCVEGCSA-N 270.723 3.094 50 50 CGGA O=C(Cl)c1ccc(F)c(F)c1Br 263624871 UVFFRAAQRJWYMI-UHFFFAOYSA-N 255.445 3.106 50 50 CGGA O=C(N/N=C/c1ccc(F)cc1)c1ccc(Cl)cc1 283336 JPNRFKXAWBNAIU-RQZCQDPDSA-N 276.698 3.243 50 50 CGGA O=C(N[C@H]1CCCC[C@@H]1Br)c1ccccc1 5601664 HPSKMXXYWLYHGW-RYUDHWBXSA-N 282.181 3.123 50 50 CGGA O=C(Cl)c1csc(-c2ccc3c(c2)CCO3)n1 2381246 FRELABMUDPYWKB-UHFFFAOYSA-N 265.721 3.124 50 50 CGGA CSc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc1 245231448 CXKAIVXOXGMKDZ-NJALCGSSSA-N 288.416 3.295 50 50 CGGA [C-]#[N+][C@@H](c1ccccc1)S(=O)(=O)c1ccc(C)cc1 100006692 KIJCBVOPJSHLBI-OAHLLOKOSA-N 271.341 3.387 50 50 CGGA in-vitro N#CSCCCOc1ccccc1Br 2885636 AVFKXRRRALEIEB-UHFFFAOYSA-N 272.167 3.432 50 50 CGGA CCc1ccc(/C=N/NC(=O)c2cc(C)oc2C)cc1 42807 BQMXWEAQPIBOJV-LICLKQGHSA-N 270.332 3.223 50 50 CGGA Fc1c(F)c(F)c(CBr)c(F)c1F 1627044 XDEPVFFKOVDUNO-UHFFFAOYSA-N 260.987 3.277 50 50 CGGA N#CC1=C(C2CC2)C[C@H](c2ccccc2)C(C#N)=C1N 4032183 JPWZQPMQUSGLCA-CYBMUJFWSA-N 261.328 3.140 50 50 CGGA CC[C@@H](Br)C(=O)Nc1c(C)cccc1C 32919702 JGDSSRKVVDAVPO-SNVBAGLBSA-N 270.170 3.415 50 50 CGGA in-vitro COc1ccc(/C=C(\C#N)c2ccccn2)cc1OC 12622932 QXSRLZYSIFQJJS-UKTHLTGXSA-N 266.300 3.163 50 50 CGGA C[C@H](Cl)C(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1875363806 ARBHJLUTWSXPNG-AEGPPILISA-N 295.810 3.240 50 50 CGGA Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCl 2973810 CCDQWKGFAZYRLI-ZDUSSCGKSA-N 276.767 3.209 50 50 CGGA O=[N+]([O-])c1cccc(C(Br)Br)c1 113705018 KNWVHZPMNHWXPC-UHFFFAOYSA-N 294.930 3.383 50 50 CGGA N#Cc1cccc(/C=N/NC(=O)CCCc2ccccc2)c1 43761364 GTJDOOYZWGAKHB-XSFVSMFZSA-N 291.354 3.031 50 50 CGGA CC(C)(C)c1ccc(C(=O)N/N=C/c2ccccn2)cc1 251381 QHQWMZSDTJJVKT-XDHOZWIPSA-N 281.359 3.143 50 50 CGGA CC1CCC(N(C[C@@H]2CCCO2)C(=O)[C@H](C)Cl)CC1 1875363519 HBNJCHOKBRIWLG-YIOUJQMASA-N 287.831 3.200 50 50 CGGA ClC[C@@H](CBr)OCc1ccccc1 4831707 BKTNVCYQDKDAQE-SNVBAGLBSA-N 263.562 3.206 50 50 CGGA CCC/C(=N/NC(=O)c1ccc(O)cc1O)c1ccccc1 4603347 SLFYDMIJKFJHEU-SDXDJHTJSA-N 298.342 3.032 50 50 CGGA C/C(=N\NC(=O)c1csc(C)c1C)c1ccco1 373116 PXQDRLKPDIAMHV-NTEUORMPSA-N 262.334 3.112 50 50 CGGA N#CC(C(=O)NCc1ccco1)=C1CCCCCC1 6883809 XWUDKJZKSTVGDM-UHFFFAOYSA-N 258.321 3.070 50 50 CGGA ClCc1nnc(C23CC4CC(CC(C4)C2)C3)o1 20135816 CPWRCOVGLFMNRD-UHFFFAOYSA-N 252.745 3.276 50 50 CGGA O=C(NNc1ccccc1)c1cccc(C(F)(F)F)c1 4106908 JZSXYJWTGPXCTN-UHFFFAOYSA-N 280.249 3.462 50 50 CGGA O=P(c1ccccc1)(c1ccccc1)[C@@H]1CCCO1 1233435 VXZTZKAASHFVRI-MRXNPFEDSA-N 272.284 3.137 50 50 CGGA CCCC/C(C)=N\NC(=O)[C@@H](O)c1ccc(Cl)cc1 4996444 ONABQYQDVFOISI-ATTDUZETSA-N 282.771 3.056 50 50 CGGA C[P@@](=O)(c1ccccc1)c1ccc(Cl)cc1 2325809494 BAYJMKAJXKHMIK-MRXNPFEDSA-N 250.665 3.284 50 50 CGGA O=C(N/N=C\c1ccco1)c1ccc(Cl)cc1Cl 4579383 JNKSRANESKANJD-CHHVJCJISA-N 283.114 3.350 50 50 CGGA COc1ccccc1P(Cl)c1ccccc1OC 100009673 PEKLJSZEUFVLKO-UHFFFAOYSA-N 280.691 3.290 50 50 CGGA N#C/C(=C\c1cccc(O)c1)C(=O)Nc1ccc(F)cc1 445677 WNZVACITLPRDJL-XYOKQWHBSA-N 282.274 3.077 50 50 CGGA FC(F)(F)c1ccccc1OCCBr 19513576 IVMMPDGPQGYBAZ-UHFFFAOYSA-N 269.060 3.479 50 50 CGGA Cc1ccc(NC(=O)C(Cl)Cl)cc1Cl 1671446 RMLFHIQOTKAUJG-UHFFFAOYSA-N 252.528 3.391 50 50 CGGA C[C@@H](Cl)C(=O)N1CCC[C@H]1Cc1cccc(F)c1F 1875368205 YQZAVUSIAHPHHT-KOLCDFICSA-N 287.737 3.126 50 50 CGGA O=C(CBr)Nc1cccc2ccccc12 26438700 YTXQWCWHEKIEDH-UHFFFAOYSA-N 264.122 3.173 50 50 CGGA N#C/C(=C\c1ccsc1)C(=O)Nc1cccc([N+](=O)[O-])c1 6828924 VFYXNHCYWSAPFV-IZZDOVSWSA-N 299.311 3.202 50 50 CGGA S=C(SSC(=S)N1CCCC1)N1CCCC1 32136784 KCGUGVQODCQMBI-UHFFFAOYSA-N 292.520 3.129 50 50 CGGA C[C@@H](Cl)C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 1875380055 CZMSMQIPRUKYJW-YGRLFVJLSA-N 292.741 3.054 50 50 CGGA O=C(NN=C1CCCCC1)c1ccccc1Cl 61829 ZJKBSFGSQUATKI-UHFFFAOYSA-N 250.729 3.390 50 50 CGGA CC[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](CC)[C@@H]2C1 106235681 MBFPHKRTMBYYKX-UXIGCNINSA-N 280.375 3.159 50 50 CGGA N#C/C(=C\c1cccnc1)C(=O)Nc1cccc(Cl)c1 446130 CXDFAGGCALQOEA-KPKJPENVSA-N 283.718 3.281 50 50 CGGA Cc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1 2165568 NRWQQRUMXPWHTJ-LICLKQGHSA-N 272.735 3.412 50 50 CGGA O=C1N(Cc2ccccc2)C[C@@H]2C[C@H](CCl)C[C@]12Cl 4100340 IMXVSNKCBRHKLK-KCQAQPDRSA-N 298.213 3.271 50 50 CGGA CCOP(=O)(CCCBr)OCC 1723485 PEIKTSJIUKYDPC-UHFFFAOYSA-N 259.080 3.038 50 50 CGGA in-vitro C/C(=N\NC(=O)c1cccnc1)c1ccc2ccccc2c1 4951161 WGVCGZCGKBSQSD-DEDYPNTBSA-N 289.338 3.389 50 50 CGGA CC1(C)C[C@@H](Br)[C@H](Br)C1 101081638 BVHSCTGUKJPPPT-PHDIDXHHSA-N 255.981 3.333 50 50 CGGA O=S1(=O)CC23CCCCC2(CCCC3)[C@H]1Cl 45070395 KWZVFWJTIWKFQI-UNXYVOJBSA-N 262.802 3.101 50 50 CGGA Cc1cc2c(cc1C)/C(=N/NC(=O)c1ccccn1)CCC2 246910 SDEWRYMKRLZNCX-CAPFRKAQSA-N 293.370 3.169 50 50 CGGA COc1cc(-c2ccc(N=C=O)c(OC)c2)ccc1N=C=O 1680664 QZWKEPYTBWZJJA-UHFFFAOYSA-N 296.282 3.305 50 50 CGGA in-vitro Cc1ccccc1/C=N/NC(=O)Cc1c[nH]c2ccccc12 43761349 NXZGARQDSDYKAJ-UDWIEESQSA-N 291.354 3.169 50 50 CGGA O=C(N/N=C/[C@@H]1CC=CCC1)c1ccc(Cl)cc1O 433212 STJNTZYDXZZCOO-VCBXAZPMSA-N 278.739 3.118 50 50 CGGA O=C(CCl)c1c[nH]c2ccc(Br)cc12 530986 RYJJRBVIRXGVHX-UHFFFAOYSA-N 272.529 3.352 50 50 CGGA O=P(c1ccccc1)(c1ccccc1)c1ccccc1O 68592221 XZQDLMWMHRNMDY-UHFFFAOYSA-N 294.290 3.032 50 50 CGGA O=C(CCBr)c1ccc(Br)cc1 39217091 YINLPKSWWRJXJH-UHFFFAOYSA-N 291.970 3.417 50 50 CGGA O=C(N/N=C/c1ccc(Cl)cc1)c1cccs1 228144 GUNDWCIADIMCKD-RIYZIHGNSA-N 264.737 3.165 50 50 CGGA Cc1cc(NNC(=O)c2ccccc2)nc2ccccc12 478033 GJQSIINEQVEBJN-UHFFFAOYSA-N 277.327 3.300 50 50 CGGA CC(C)C[C@@H]1[C@@H]2C[C@H](C)CC=C2C(C#N)=C(N)C1(C#N)C#N 252346864 IUHJLXRLZKXXEP-XNRPHZJLSA-N 294.402 3.405 50 50 CGGA CC(C)[C@H](Br)C(=O)Nc1ccc(F)cc1 9646713 YWWCPOGUFSNUKU-JTQLQIEISA-N 274.133 3.184 50 50 CGGA BrCCOCc1ccc(Br)cc1 147543748 POKGBJBUMWQYHC-UHFFFAOYSA-N 293.986 3.361 50 50 CGGA N#CC1=C(N)[C@](c2ccccc2)(N2CCCCC2)CCC1 96027159 UCFPBOTYIABPCG-SFHVURJKSA-N 281.403 3.288 50 50 CGGA O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccco1 227739 BPKNBHHIPCWJBN-VIZOYTHASA-N 283.114 3.350 50 50 CGGA COC(=O)c1c(N=C=S)sc2c1CCCC2 2522243 JKVSSDPOTCLFKE-UHFFFAOYSA-N 253.348 3.148 50 50 CGGA CCCCOc1ccc(NC(=O)[C@@H](C)Cl)cc1 32108923 YLVYZFLOYDRNFH-SNVBAGLBSA-N 255.745 3.431 50 50 CGGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccn1 227953 OHBRZOCLOVUZMC-CAOOACKPSA-N 294.141 3.152 50 50 CGGA CC[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](CC)[C@H]2C1 106235689 MBFPHKRTMBYYKX-OSAQELSMSA-N 280.375 3.159 50 50 CGGA Cl[C@H]1CC[C@@H]2CC=C[C@]12CCC1OCCCO1 71786404 BBUJDCIRTHUXRS-SGMGOOAPSA-N 256.773 3.493 50 50 CGGA O=C(OCc1ccccc1)N1CCC(Cl)CC1 2527232 WBXRYRJOZBTWAL-UHFFFAOYSA-N 253.729 3.026 50 50 CGGA in-vitro CCOC(=O)[C@@H](Br)c1ccccc1Cl 71771240 SEFGBXSZQZZZEE-VIFPVBQESA-N 277.545 3.339 50 50 CGGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccoc2C)cc1 251136 VIZYZRLCTHYIJW-LDADJPATSA-N 299.374 3.198 50 50 CGGA O=C(Cl)c1cc(Cl)cc(Br)c1 36533209 AFMZOCJLKKONRO-UHFFFAOYSA-N 253.910 3.482 50 50 CGGA Cl[C@@H]1CC[C@@H]2CC=C[C@@]12CCC1OCCCO1 71786405 BBUJDCIRTHUXRS-SCRDCRAPSA-N 256.773 3.493 50 50 CGGA CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@H](O)CCl 135884139 HCHFVUYSXVENKM-CYBMUJFWSA-N 299.798 3.023 50 50 CGGA CC(C)(CCl)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 38537415 CGFOQTRAAJTHAV-UHFFFAOYSA-N 281.699 3.161 50 50 CGGA in-vitro Cc1cccc([N+](=O)[O-])c1NC(=O)CCCCCl 40546322 QRZREVIEBOAYRC-UHFFFAOYSA-N 270.716 3.251 50 50 CGGA Fc1ccc(Br)cc1CBr 54622256 ZLXSSLJXCUISKG-UHFFFAOYSA-N 267.923 3.483 50 50 CGGA in-vitro O=C(Cl)c1cccc(Br)c1Cl 67800114 HBYCYCNDBPBPKH-UHFFFAOYSA-N 253.910 3.482 50 50 CGGA CC(C)(C)c1ccc(C(=O)N/N=C/c2ccncc2)cc1 259519 VFZSLBAKCBKUGF-XDHOZWIPSA-N 281.359 3.143 50 50 CGGA O=S1(=O)C[C@]23CCCCC[C@@]2(CCCC3)[C@H]1Cl 101043579 DOUPBQQCXWICIO-YNEHKIRRSA-N 276.829 3.491 50 50 CGGA O=P(Cl)(Cl)N1Cc2ncnc(Cl)c2C1 575598524 KEFZILAKXXXDCZ-UHFFFAOYSA-N 272.459 3.031 50 50 CGGA O=C(CCl)N[C@@H](Cc1cccc(O)c1)c1ccccc1 1875374921 JWEZWOJBFXLJNW-HNNXBMFYSA-N 289.762 3.031 50 50 CGGA Cc1ccccc1/C=N/NC(=O)c1ccccc1C 65462 PKZADMDJDGDPBJ-GZTJUZNOSA-N 252.317 3.067 50 50 CGGA C[C@@H](Cl)C(=O)NC(C)(C)Cc1ccc(F)cc1F 1875367434 ATKYDCOYXARWQC-MRVPVSSYSA-N 275.726 3.029 50 50 CGGA C[C@@H](Cl)C(=O)N1CCC[C@@H]1Cc1cccc(F)c1F 1875368206 YQZAVUSIAHPHHT-MWLCHTKSSA-N 287.737 3.126 50 50 CGGA CC(C)(C)c1ccc(/C=N/NC(=O)c2ccccn2)cc1 227899 DSNAVLQCDUEVFB-XDHOZWIPSA-N 281.359 3.143 50 50 CGGA Cc1ccc(NCCCC(=O)N/N=C/c2ccc(C)o2)cc1 2996171 ODMUVIJXDNBSIN-XDHOZWIPSA-N 299.374 3.239 50 50 CGGA O=C(NN=C1CCCCC1)c1ccc(Cl)cc1O 4953025 SBOROJMEWMKKAX-UHFFFAOYSA-N 266.728 3.096 50 50 CGGA O=C(Nc1ccccc1)[C@H](Cl)C(=O)c1ccccc1 363050 NGLHXBUDCGSGPT-CYBMUJFWSA-N 273.719 3.115 50 50 CGGA CC(C)(C)C(=O)[C@H](Br)C(=O)c1ccccc1 100698240 ARIAGFMLAOIDIA-SNVBAGLBSA-N 283.165 3.248 50 50 CGGA Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Br 58839664 YOYZPMSKEGYFMU-SSDOTTSWSA-N 276.561 3.370 50 50 CGGA C[C@H](Cl)C(=O)N1CCC2(CCC(F)(F)CC2)C1 1875368113 QXKJWUKKRLHLSM-VIFPVBQESA-N 265.731 3.042 50 50 CGGA O=[N+]([O-])c1ccc(NCC(Cl)Cl)c2ncccc12 253431689 WVNQANNXZHEIBF-UHFFFAOYSA-N 286.118 3.359 50 50 CGGA Cc1nn(-c2ccccc2)c(Cl)c1C=C(C#N)C#N 163914 JLULGJXCYHRHFH-UHFFFAOYSA-N 268.707 3.265 50 50 CGGA COc1cc(OC(F)(F)F)ccc1CBr 2528353 JNWHGFGOMOVIMV-UHFFFAOYSA-N 285.059 3.489 50 50 CGGA O=C(CCl)NCc1ccc(Cl)c(C(F)(F)F)c1 1261845996 VOTZZXMLHIIUSU-UHFFFAOYSA-N 286.080 3.214 50 50 CGGA CC[C@H](NC(=O)/C(C#N)=C\C1CC1)c1ccccc1F 1875365930 SAKDDFPGZDSGPH-LMRWQKIVSA-N 272.323 3.253 50 50 CGGA N#CC(C#N)=Cc1cccn1Cc1cnc(Cl)s1 1399320 XAPVVZPKZXYRJQ-UHFFFAOYSA-N 274.736 3.077 50 50 CGGA O=[N+]([O-])c1cccc(Br)c1CBr 34451326 JCBTXEUYUWGIMU-UHFFFAOYSA-N 294.930 3.252 50 50 CGGA CO[Si](CCCCCCCCCCCN)(OC)OC 169744988 XSPASXKSXBJFKB-UHFFFAOYSA-N 291.508 3.334 50 50 CGGA Br/C=C(\Br)CBr 1708238 GCYDHXOUHNLRDZ-IWQZZHSRSA-N 278.769 3.013 50 50 CGGA O=C(Cl)c1c(F)ccc(Br)c1F 67800103 OYEKTFNTUYRFBD-UHFFFAOYSA-N 255.445 3.106 50 50 CGGA O=C(CCl)N(CCCF)Cc1ccc(Cl)cc1 1875374525 VBKOWOAOFAHTGX-UHFFFAOYSA-N 278.154 3.267 50 50 CGGA C/C(=N\NC(=O)c1ccoc1C)c1ccccc1Cl 232452 HKIIDOAELHLHLG-CXUHLZMHSA-N 276.723 3.395 50 50 CGGA CC(C)[C@H](N)CP(c1ccccc1)c1ccccc1 59058470 ZZLCXURCZWQECA-QGZVFWFLSA-N 271.344 3.103 50 50 CGGA C[Si](C)(C)[C@@H](C#N)C1(O)[C@H]2C=C[C@H]1[C@H]1C=C[C@H]2C1=CC#N 257356086 FPOVCSHSUQUVQY-OZRCBQRNSA-N 296.446 3.017 50 50 CGGA O=C(N/N=C\c1cccc(Cl)c1)C1[C@@H]2CCCC[C@@H]12 100050566 OFBYMBUHMQNIGO-UMOJFFKJSA-N 276.767 3.226 50 50 CGGA N#C/C(=C\c1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1 3898329 OLEHBLSQRIAMFP-KPKJPENVSA-N 289.294 3.356 50 50 CGGA CC(C)(C)C1CCC(=NNC(=O)c2ccncc2)CC1 4372824 QRQDAHRLXLBVQY-UHFFFAOYSA-N 273.380 3.404 50 50 CGGA O=C(NN=Cc1ccc2c(c1)CCC2)c1cccs1 16980548 DZUAJTNFLLRJFL-UHFFFAOYSA-N 270.357 3.001 50 50 CGGA COc1cc(Cl)c(C)cc1NC(=O)CCCl 1777590 ADAIFFDIZPYTPI-UHFFFAOYSA-N 262.136 3.224 50 50 CGGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C1CC1 436800 XFAVBVSUCLNMRV-XDHOZWIPSA-N 294.354 3.126 50 50 CGGA BrCc1cccc(CBr)c1 162204 OXHOPZLBSSTTBU-UHFFFAOYSA-N 263.960 3.476 50 50 CGGA in-vitro CCC/C(=N\NC(=O)c1ccco1)c1ccccc1 4949520 ZMKZSDCYIPGCJG-DTQAZKPQSA-N 256.305 3.214 50 50 CGGA ClCc1cccn2c(Cc3ccccc3)nnc12 40449836 JCTRCMAHPLFGSJ-UHFFFAOYSA-N 257.724 3.059 50 50 CGGA Cc1ccc(Sc2ccc(/C=C(\C#N)C(N)=O)o2)cc1 37449 IYLNTSVEGQXUPG-DHZHZOJOSA-N 284.340 3.132 50 50 CGGA ClCCCN1CCN(c2cccc(Cl)c2)CC1 1604908 NDQKGEFMUGSRNS-UHFFFAOYSA-N 273.207 3.091 50 50 CGGA in-vitro CC[C@@H](Br)C(=O)Nc1cccc(Cl)c1 5674088 KIBAYTYPNJPQHJ-SECBINFHSA-N 276.561 3.452 50 50 CGGA N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)O 1836723 OFMCDDOWLZXBFD-JXMROGBWSA-N 257.220 3.077 50 50 CGGA N#CC(C#N)=Cc1ccc(N2CCCCCC2)cc1 7155076 IPYLRKJGASESSZ-UHFFFAOYSA-N 251.333 3.498 50 50 CGGA Cc1cc(C)c(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)c(C)c1 245296620 MQBFHBCFVHMOLS-ZPGLTMSMSA-N 284.403 3.498 50 50 CGGA O=C(N/N=C/C(Cl)=C/c1ccccc1)c1cccnc1 13633088 BCNJWMNMPNXJAW-MCVIOFPKSA-N 285.734 3.077 50 50 CGGA Cc1ccc(N(C(=O)CCl)[C@H](C)C2CC2)cc1 3130677 BXPOEHNHYYSVLZ-LLVKDONJSA-N 251.757 3.365 50 50 CGGA Oc1ccc(P(c2ccccc2)c2ccccc2)cc1 100034352 QOPABJOZVXZFJG-UHFFFAOYSA-N 278.291 3.150 50 50 CGGA O=S1(=O)C[C@]23C=CC=C[C@@]2(CCCCC3)[C@H]1Cl 101043572 UKXUMNISSSNTOH-AVGNSLFASA-N 272.797 3.043 50 50 CGGA CC[C@H](Br)C(=O)NCCC1=CCCCC1 32919960 WDHAUNJRETWIML-NSHDSACASA-N 274.202 3.167 50 50 CGGA O=C(Cc1cccs1)N/N=C/c1ccc(Cl)cc1 554808 AWWCRWADLQILFM-OQLLNIDSSA-N 278.764 3.094 50 50 CGGA CN(C)NC(=O)Nc1cc(Cl)c(Cl)cc1Cl 2171687 CFYSGQXNRZKTKK-UHFFFAOYSA-N 282.558 3.245 50 50 CGGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2[C@H]1CC=CCC1 115465 DFIBLPWNKGOUGB-NHYWBVRUSA-N 298.386 3.326 50 50 CGGA biogenic,in-vitro N#CSc1cc(Cl)c(N)cc1Br 299805561 UYLLIOQJNIEGMV-UHFFFAOYSA-N 263.547 3.258 50 50 CGGA C[C@@H](Br)C(=O)Nc1ccc(F)c(Cl)c1 13944981 LWAFWHFWHPNPCN-RXMQYKEDSA-N 280.524 3.201 50 50 CGGA O=C(CBr)c1ccccc1Br 2584604 LAXPJIJQTHJGCK-UHFFFAOYSA-N 277.943 3.027 50 50 CGGA in-vitro CC(C)(C)OC(=O)NC1CCC(Br)CC1 79436552 QQQIIDPCBBHRKE-UHFFFAOYSA-N 278.190 3.217 50 50 CGGA C[C@H](c1ccccc1F)N(C(=O)CCl)C1CC1 1875362961 QUZVRYWOEOJASF-SECBINFHSA-N 255.720 3.117 50 50 CGGA BrCc1cccc(I)c1 2566214 BACZSVQZBSCWIG-UHFFFAOYSA-N 296.933 3.186 50 50 CGGA CO[Si](OC)(OC)c1c2ccccc2cc2ccccc12 200741394 IWEWJEBCCWXJRF-UHFFFAOYSA-N 298.414 3.078 50 50 CGGA CC1=C(C#N)[C@@H](c2cccc(F)c2)C2=C(CCCC2=O)N1 229571 TUGIBEWIRREVOV-MRXNPFEDSA-N 282.318 3.317 50 50 CGGA ClCc1nnc(-c2ccccc2Br)o1 3246491 KIMSKBWHIMTWFJ-UHFFFAOYSA-N 273.517 3.238 50 50 CGGA C/C(=N\NC(=O)c1ccccn1)C12CC3CC(CC(C3)C1)C2 4737782 XNAIVAYHKQNNEP-UDWIEESQSA-N 297.402 3.404 50 50 CGGA CC1=C(C#N)[C@@H](c2nccs2)C2=C(CC(C)(C)CC2=O)N1 25695236 GIQKLSWLEPRBBV-CYBMUJFWSA-N 299.399 3.271 50 50 CGGA CC(C)(CC1CCOCC1)C(=O)NNc1ccccc1F 152845865 GKGUFJBZXJHKEI-UHFFFAOYSA-N 294.370 3.112 50 50 CGGA CC(C)=C[C@H]1[C@@H](C(=O)OCCBr)C1(C)C 1608544 GTNOPRWOXOADHY-UWVGGRQHSA-N 275.186 3.163 50 50 CGGA O=C(CCl)Nc1ccccc1C(=O)c1ccccc1 2581989 HIMNRRQRDQNAEN-UHFFFAOYSA-N 273.719 3.095 50 50 CGGA Fc1nccc(C(F)(F)F)c1CBr 238599233 UPCANROKRNCDLJ-UHFFFAOYSA-N 258.012 3.134 50 50 CGGA Cc1ccc(C(=O)c2ccccc2)c(NC(=O)CCl)c1 241435136 NKXDFFFHTIWURF-UHFFFAOYSA-N 287.746 3.403 50 50 CGGA CCSC1=C(C#N)[C@@H](c2ccccc2Cl)CC(=O)N1 8969489 ZBTDNTUFQIVMTO-SNVBAGLBSA-N 292.791 3.432 50 50 CGGA BrCc1ccccc1OC1CCOCC1 12370459 ZFYVDBXSQARTLZ-UHFFFAOYSA-N 271.154 3.139 50 50 CGGA C[C@@H]1CCCC/C1=N/NC(=O)CNc1ccc(Cl)cc1 100042158 NULMCPNFRFEGFO-GMVXBXSFSA-N 293.798 3.434 50 50 CGGA OC[C@H](Cl)[C@@H]1CCCCCCCCCC[C@@H]1O 25557613 GVUJCTTYUDBJOS-IHRRRGAJSA-N 262.821 3.478 50 50 CGGA O=C(Nc1ccccc1Br)OCCCl 243289792 LCQDLUQFTMEYOY-UHFFFAOYSA-N 278.533 3.236 50 50 CGGA C[C@H](Cl)C(=O)NCc1cc2sccc2s1 1875364451 QWNMWKTXUNGQFX-LURJTMIESA-N 259.783 3.206 50 50 CGGA C[C@H](Cl)C(=O)N1CC(C)(C)[C@H]1c1cccs1 1875376037 MKVKTKGVZUHCQI-WCBMZHEXSA-N 257.786 3.285 50 50 CGGA O=P(c1ccccc1)(c1ccccc1)[C@H]1CCCO1 1233434 VXZTZKAASHFVRI-INIZCTEOSA-N 272.284 3.137 50 50 CGGA Fc1cc(CBr)ccc1Br 54711058 GMVNLHLMJSMARX-UHFFFAOYSA-N 267.923 3.483 50 50 CGGA in-vitro CC[C@H](Br)C(=O)Nc1c(C)cccc1C 32919704 JGDSSRKVVDAVPO-JTQLQIEISA-N 270.170 3.415 50 50 CGGA in-vitro N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)O 5900506 OJIKBUZEYVBZKM-OQLLNIDSSA-N 279.295 3.257 50 50 CGGA N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1cccnc1 289867 ARVOWROWLBHVLB-KRWDZBQOSA-N 299.333 3.453 50 50 CGGA CC1=C(C#N)C(c2ccc(N(C)C)cc2)C(C#N)=C(C)N1 19419652 FBRBWENUXKUTEH-UHFFFAOYSA-N 278.359 3.035 50 50 CGGA CC/C(Cc1ccccc1)=N/NC(=O)c1ccccc1O 2325809463 RTXXCYHMDLQADB-JXAWBTAJSA-N 282.343 3.131 50 50 CGGA Cc1c(Cl)cccc1NC(=O)[C@@H](C)Br 32919878 MCMVMGLCZNGQAH-SSDOTTSWSA-N 276.561 3.370 50 50 CGGA in-vitro O=C(N/N=C/C=C/c1ccccc1)c1cccs1 2209597 WUIHKIZIVAHEQN-JBZDNPHWSA-N 256.330 3.177 50 50 CGGA FC(F)(F)[C@@H](Br)[C@@H](Cl)Br 103527645 JPHVAZGSOZCLPO-NHYDCYSISA-N 290.304 3.272 50 50 CGGA in-vitro ClCc1csc(-c2ccc3c(c2)OCO3)n1 6829266 DXTWZFZBGJRQHR-UHFFFAOYSA-N 253.710 3.278 50 50 CGGA CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12C=C[C@H](O)O2 169834343 DHPOBIZBIHIZSY-BZPMIXESSA-N 270.445 3.204 50 50 CGGA O=C(Cc1cccs1)N/N=C/C=C/c1ccccc1 2239210 KEXUVSNMNGSJOK-PVZXKMMOSA-N 270.357 3.106 50 50 CGGA C[C@@H](Cl)C(=O)Nc1sc2c(c1C#N)CCCCC2 8037159 ZTXAOUYXPATJLR-MRVPVSSYSA-N 282.796 3.454 50 50 CGGA O=C(Cc1ccccc1)N/N=C/c1c(F)cccc1Cl 273678 HXGRDWJWUPFSIP-VCHYOVAHSA-N 290.725 3.172 50 50 CGGA CC1=C(C#N)[C@H](c2cccc(F)c2)C2=C(CCCC2=O)N1 229573 TUGIBEWIRREVOV-INIZCTEOSA-N 282.318 3.317 50 50 CGGA COc1ccc(NC(=O)C(Cl)Cl)cc1Cl 457921 YYFCIVAUKCPWCU-UHFFFAOYSA-N 268.527 3.091 50 50 CGGA O=C(CBr)c1ccc(Br)c(F)c1 84199232 IELTVOHIKAUZFA-UHFFFAOYSA-N 295.933 3.166 50 50 CGGA CN(C)c1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc1 226691723 LAOJFHDFBWWCML-ZFRQOODKSA-N 299.418 3.029 50 50 CGGA Fc1cccc(CBr)c1Br 54967661 ZJSRIMJDFLFPJI-UHFFFAOYSA-N 267.923 3.483 50 50 CGGA in-vitro N#Cc1cccc(Br)c1CBr 85224457 JGGHLJKQQVOMMG-UHFFFAOYSA-N 274.943 3.216 50 50 CGGA in-vitro C[C@H](Cl)C(=O)N1CC[C@@H]1C1CCC(F)(F)CC1 1875375976 KZVKVPQBTKIZCV-WCBMZHEXSA-N 265.731 3.040 50 50 CGGA CC(C)=C[C@@H]1[C@H](C(=O)OCCBr)C1(C)C 1608547 GTNOPRWOXOADHY-NXEZZACHSA-N 275.186 3.163 50 50 CGGA O=C(N/N=C/c1cccs1)c1cc2ccccc2cc1O 299333 WJGDIHPRYUNFMJ-LICLKQGHSA-N 296.351 3.371 50 50 CGGA O=C(N[C@H](Cl)C(F)(F)F)OCc1ccccc1 2147432 MGDUFVWEIZNPGG-QMMMGPOBSA-N 267.634 3.040 50 50 CGGA CCSC1=C(C#N)C(=N)n2c1cc1c2CCCC1 118469 VZMMSPNIVZGFGH-UHFFFAOYSA-N 257.362 3.194 50 50 CGGA N#C/C(=C\c1ccc(O)cc1)c1nc2ccccc2[nH]1 3998130 ITYSPALUFDQELV-FMIVXFBMSA-N 261.284 3.333 50 50 CGGA Cc1cc(Cl)ccc1NC(=O)[C@H](C)Br 58839666 YOYZPMSKEGYFMU-ZETCQYMHSA-N 276.561 3.370 50 50 CGGA CC[C@@H](Br)C(=O)Nc1cc(C)ccc1OC 266476 IMNJXPFMNPDBBF-SECBINFHSA-N 286.169 3.116 50 50 CGGA CCc1cccc(C)c1NC(=O)[C@@H](C)Br 3106435 SQBYZLSKEHLGCY-SECBINFHSA-N 270.170 3.279 50 50 CGGA CC[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](CC)[C@H]2C1 6265723 MBFPHKRTMBYYKX-ZLDLUXBVSA-N 280.375 3.159 50 50 CGGA N#C/C(=C\c1cc(Cl)ccc1Br)C(=O)O 218105820 UQTFHGAYDFNDHJ-XVNBXDOJSA-N 286.512 3.094 50 50 CGGA CCOC(=O)[C@H](Br)c1cccc(Cl)c1 2528621 WEQPTHXMNMLSLW-SECBINFHSA-N 277.545 3.339 50 50 CGGA ClC[C@H](CBr)OCc1ccccc1 4831708 BKTNVCYQDKDAQE-JTQLQIEISA-N 263.562 3.206 50 50 CGGA C[C@H](Cl)C(=O)NCc1nsc2ccc(Cl)cc12 1875367251 HAKFDKORFQXFJT-LURJTMIESA-N 289.187 3.193 50 50 CGGA CC(=O)/C=C/P(=O)(c1ccccc1)c1ccccc1 3132803 AYPKNAOQACTZGQ-OUKQBFOZSA-N 270.268 3.103 50 50 CGGA COc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1 485302 NSPGIVVYDHYBKH-LICLKQGHSA-N 288.734 3.113 50 50 CGGA CC[C@@H](Cl)S(=O)(=O)CCCc1ccccc1 45069222 KJIUHNZQFFVPKQ-LBPRGKRZSA-N 260.786 3.009 50 50 CGGA COC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2[C@@H]1Br 254507967 VHRHVTRJERUPBV-ZDCRXTMVSA-N 275.186 3.139 50 50 CGGA Cc1ccc(CN(C(=O)[C@@H](F)Cl)C2CC2)cc1 1875362108 RNUKHQQRPGEMRJ-GFCCVEGCSA-N 255.720 3.020 50 50 CGGA O=C(CNc1cccc(Cl)c1)NN=C1CCCCC1 5671204 DMUXXIUPHYRICX-UHFFFAOYSA-N 279.771 3.188 50 50 CGGA O=C=Nc1c(Br)cc(F)cc1Br 2384717 NYPBOWHIPOBXBA-UHFFFAOYSA-N 294.905 3.318 50 50 CGGA CC(C)(C)C(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1 2561766 ZUXVIFYCMLLURE-YRNVUSSQSA-N 258.277 3.117 50 50 CGGA O=C(N/N=C/C=C/c1ccco1)c1cc(Cl)ccc1O 2971179 BEHHKLKWABJNHY-JLALNBPMSA-N 290.706 3.068 50 50 CGGA C/C(=N\NC(=O)Cc1ccccc1)c1ccc(C)cc1C 4976248 INUPWGPNEBKNDN-XDJHFCHBSA-N 280.371 3.386 50 50 CGGA CCSC1=C(C#N)[C@@H](c2ccc(C)cc2)CC(=O)N1 9330033 QEGVUYASHWUEER-GFCCVEGCSA-N 272.373 3.087 50 50 CGGA C[Si](C)(C)CCOC(=O)Oc1ccc([N+](=O)[O-])cc1 169743536 ZAQWGGKIMQIVGM-UHFFFAOYSA-N 283.356 3.448 50 50 CGGA in-vitro COc1cccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)c1 19879454 LGMKEXLTCLTERA-KRWDZBQOSA-N 294.354 3.187 50 50 CGGA COc1ccc(C(=O)N/N=C/C=C/c2ccccc2)cc1 4372626 KQHWWKIMKVNSEO-XKKIXLAPSA-N 280.327 3.124 50 50 CGGA Cn1cnc2cc(CO[Si](C)(C)C(C)(C)C)cnc21 169794253 ZRQGXPOSBWSIKN-UHFFFAOYSA-N 277.444 3.490 50 50 CGGA in-vitro O=C(Cl)C(=C/C=C/c1ccccc1)C(=O)Cl 102313115 FWPDVKQQOOXBBM-QPJJXVBHSA-N 255.100 3.157 50 50 CGGA CCCSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1 9087458 UTGUYJLSUANKRJ-LBPRGKRZSA-N 272.373 3.168 50 50 CGGA C[C@H](Cl)C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C 1875364167 GYLFITWDWKIICS-GVXVVHGQSA-N 251.757 3.018 50 50 CGGA COc1ccc(/C=C/C(=O)Cl)c(Cl)c1OC 2159619 LUJOUFWJHFXYKV-GQCTYLIASA-N 261.104 3.136 50 50 CGGA COc1cccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)c1 19879451 LGMKEXLTCLTERA-QGZVFWFLSA-N 294.354 3.187 50 50 CGGA N#C/C(=C/c1ccc2c(c1)OCO2)c1cccc(C#N)c1 4786528 UQDLPUSAJVFIGQ-UUASQNMZSA-N 274.279 3.351 50 50 CGGA Cc1occc1C(=O)N/N=C/c1cccc(Cl)c1 436864 RELAXHWRGDPGQB-OVCLIPMQSA-N 262.696 3.005 50 50 CGGA CC(C)=C[C@H]1[C@H](C(=O)OCCBr)C1(C)C 1608546 GTNOPRWOXOADHY-VHSXEESVSA-N 275.186 3.163 50 50 CGGA C[C@H](NC(=O)[C@@H](C)Cl)c1cc(Cl)cc2c1OCC2 1875366983 BAGWBSHOYZBSIG-SFYZADRCSA-N 288.174 3.079 50 50 CGGA CC1(CN(C(=O)CCl)c2ccc3c(c2)COC3)CC1 1875381887 KGJIALPEVVEURE-UHFFFAOYSA-N 279.767 3.089 50 50 CGGA Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O)c2C)cc1 3335975 JQDXFUMSLUWYKI-OQLLNIDSSA-N 280.327 3.394 50 50 CGGA O=[N+]([O-])c1ccc(CBr)c(Br)c1 16698754 IHNSPLNYBYYNKQ-UHFFFAOYSA-N 294.930 3.252 50 50 CGGA c1ccc2sc(SSN3CCOCC3)nc2c1 1604801 QRYFCNPYGUORTK-UHFFFAOYSA-N 284.431 3.284 50 50 CGGA in-vitro C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)Cl 38860637 FNMASGAVRZUGCV-LURJTMIESA-N 252.619 3.238 50 50 CGGA Cc1c(Cl)cccc1NC(=O)[C@H](C)Br 32919880 MCMVMGLCZNGQAH-ZETCQYMHSA-N 276.561 3.370 50 50 CGGA in-vitro CC(C)C[C@@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21 6589216 HJKVKJIUEPNLHI-GFCCVEGCSA-N 294.358 3.293 50 50 CGGA Cc1cccc(CN2C[Si](C)(C)O[Si](C)(C)C2)c1 169821129 RFUPLNHOBBBKOH-UHFFFAOYSA-N 279.532 3.316 50 50 CGGA Cc1ccc(NC(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])o2)cc1 5059152 PVYWPHLNWWXVGG-FLIBITNWSA-N 297.270 3.042 50 50 CGGA COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1O 4170463 CFOZJPCSQAQOFS-XYOKQWHBSA-N 291.310 3.341 50 50 CGGA CCOCN(C(=O)CCl)c1c(C)cccc1CC 1532058 VTNQPKFIQCLBDU-UHFFFAOYSA-N 269.772 3.123 50 50 CGGA biogenic,in-vitro O=C(Cl)Cc1ncc(C(F)(F)F)cc1Cl 263623242 FWWZMHNRMBAPQI-UHFFFAOYSA-N 258.026 3.062 50 50 CGGA COc1ccc(/C=C(/C#N)c2cccnc2)cc1OC 8582462 DBGZNJVTHYFQJI-ZSOIEALJSA-N 266.300 3.163 50 50 CGGA in-vitro O=C1OC(=O)c2ccc(Cl)c3c(Cl)ccc1c23 100041961 FCSWROAHPQGTNM-UHFFFAOYSA-N 267.067 3.457 50 50 CGGA O=C(CCl)N(Nc1ccccc1)c1ccccc1 71772916 FULBFZKECGRMLO-UHFFFAOYSA-N 260.724 3.286 50 50 CGGA CCO[Si](OCC)(OCC)[C@@H]1C[C@H]2C=C[C@H]1C2 195766839 HHKDWDAAEFGBAC-RWMBFGLXSA-N 256.418 3.001 50 50 CGGA in-vitro Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CCl 1118493019 QNKDSBGAFULIKO-SECBINFHSA-N 274.817 3.333 50 50 CGGA CC(C)(C)OC(=O)N1CCC[C@@H](CBr)C1 2527642 MGGZYACWICDRRD-VIFPVBQESA-N 278.190 3.028 50 50 CGGA in-vitro CCOC(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1 4789045 RTRPXXBSAKUJNP-JLHYYAGUSA-N 257.333 3.454 50 50 CGGA Fc1ccc(-c2cc(CBr)on2)cc1 32627370 KTDCTRAYVOBOLV-UHFFFAOYSA-N 256.074 3.376 50 50 CGGA O=S(=O)(F)C(F)(F)C(F)(F)Sc1ccccc1 144259892 RRIGBESOODESPJ-UHFFFAOYSA-N 292.250 3.264 50 50 CGGA Cc1ccc([C@H]2OC3=C(C(=O)CC(C)(C)C3)C(N)=C2C#N)o1 349955 UFIGLUNGMFLBAE-INIZCTEOSA-N 298.342 3.039 50 50 CGGA O=C1C(Cl)=C(Cl)C(Cl)(Cl)[C@H]1Cl 2170338 OCLLQGWDUVFOFT-BYPYZUCNSA-N 254.327 3.040 50 50 CGGA C[C@@H](Cl)C(=O)N1CCn2cccc2[C@@H]1c1ccccc1 1875363733 WFRNLXZHFAXHDJ-DOMZBBRYSA-N 288.778 3.047 50 50 CGGA CCCN(C(=O)CCl)[C@H]1CCc2ccccc2C1 1341509389 CHEYDHHVXWCGEA-AWEZNQCLSA-N 265.784 3.021 50 50 CGGA Cc1ccc(NC(=O)[C@H](C)Br)c(Cl)c1 58840910 ULIMURDXVKLIML-ZETCQYMHSA-N 276.561 3.370 50 50 CGGA CC(C)(C)OC(=O)N/N=C/c1ccc2cc[nH]c2c1 95221260 WIPUHYCXEZWRLF-CXUHLZMHSA-N 259.309 3.027 50 50 CGGA COC(=O)c1c(N=C=S)sc2c1CC[C@@H](C)C2 8241320 HMLSGWSAVOKQNI-SSDOTTSWSA-N 267.375 3.394 50 50 CGGA ClCc1nc(NCc2cccnc2)c2ccccc2n1 64038077 NOBYCOZZSHPAMO-UHFFFAOYSA-N 284.750 3.376 50 50 CGGA O=C(N/N=C/c1cccs1)c1ccc2ccccc2c1O 5739821 SRIIWTIPPBEQDC-LICLKQGHSA-N 296.351 3.371 50 50 CGGA Cc1cccc(/C=N\NC(=O)c2ccccc2Cl)c1O 15746314 CXUCHHVAINYMGZ-MFOYZWKCSA-N 288.734 3.118 50 50 CGGA CSC1=C(C#N)[C@@H](c2ccccc2)C(C(C)=O)=C(C)N1 3902819 JFSDHMISHAZGDL-OAHLLOKOSA-N 284.384 3.335 50 50 CGGA O=P(c1ccccc1)(c1ccccc1)N1[C@@H]2CC=CC[C@H]21 100498422 ZIWDCXWGUHABIE-QZTJIDSGSA-N 295.322 3.318 50 50 CGGA COC(=O)c1sc2cccc(C)c2c1NC(=O)CCl 1775973583 VGGJYYKAJIRVGL-UHFFFAOYSA-N 297.763 3.174 50 50 CGGA C/C(=N\NC(=O)c1ccoc1C)c1cc2ccccc2o1 5697217 QITQIFABNSAPBB-LICLKQGHSA-N 282.299 3.488 50 50 CGGA Cc1cccc(/C=N/NC(=O)CCc2ccccc2)c1 65813 LOPYEYVDKKRKIN-QGOAFFKASA-N 266.344 3.078 50 50 CGGA CCOC(=O)[C@@H](Br)c1ccc(Cl)cc1 2046225 CZAZDSRFJOHLCK-VIFPVBQESA-N 277.545 3.339 50 50 CGGA in-vitro CCCCCCCC(=O)N/N=C/c1ccc2c(c1)OCO2 2429142 KMSVSLGYGPOVFS-GZTJUZNOSA-N 290.363 3.226 50 50 CGGA Cc1ccc(C)c(-c2cc(C(=O)NN)c3ccccc3n2)c1 370423 CPAJVJBXEXSPOH-UHFFFAOYSA-N 291.354 3.122 50 50 CGGA O[C@](c1ccccc1)(C(Cl)Cl)C(F)(F)F 100048581 AAJFTUIEAYJREB-MRVPVSSYSA-N 259.054 3.240 50 50 CGGA Cc1onc(-c2ccc(F)cc2)c1C(=O)CBr 71624635 QNAKAKIYJGTXHV-UHFFFAOYSA-N 298.111 3.367 50 50 CGGA CCc1nocc1CN(C(=O)CCl)c1ccccc1F 1875376204 OTQQLEKYEQLZSL-UHFFFAOYSA-N 296.729 3.148 50 50 CGGA CC(=O)c1cccc(NC(=O)/C(C#N)=C/c2ccco2)c1 6822932 XXLZFRCZNQSFKS-UKTHLTGXSA-N 280.283 3.028 50 50 CGGA Cc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)o1 43638 PCQNNGXTXMGJNU-AWEZNQCLSA-N 298.342 3.039 50 50 CGGA N#C/C(=C/c1ccoc1-c1ccc([N+](=O)[O-])cc1)C(N)=S 31952183 LFLBREYDUATPHP-XFFZJAGNSA-N 299.311 3.048 50 50 CGGA CCCCCCCCC(=O)N/N=C/c1ccccn1 2790456 RTUCWUQNJZFQFF-GHRIWEEISA-N 261.369 3.282 50 50 CGGA O=C(N/N=C/c1ccccc1)c1ccc(Cl)cc1 260328 UDQISSHIEPUOLJ-MHWRWJLKSA-N 258.708 3.104 50 50 CGGA N#Cc1c(NC(=O)CCCCl)sc2c1CCCC2 1783000 HSTDUALOGUWGPK-UHFFFAOYSA-N 282.796 3.456 50 50 CGGA O=C1OC(=O)[C@]23CCCCCCCCC[C@@]12CC3 101045771 XPNIIDLDQWMCRW-HUUCEWRRSA-N 250.338 3.361 50 50 CGGA CC1(C)CC(=O)C/C(=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)C1 100315835 NJIUMOBBPJKDDT-BWXBNJGRSA-N 298.386 3.042 50 50 CGGA CCn1c2ccccc2c2cc(/C=C(\C#N)C(N)=O)ccc21 210792 LHFRPYQQQAPBGD-UKTHLTGXSA-N 289.338 3.207 50 50 CGGA Cc1cc(C)c(/C=N/NC(=O)C2[C@@H]3CCCC[C@@H]23)c(C)c1 100050201 MQBFHBCFVHMOLS-LBDLAYEZSA-N 284.403 3.498 50 50 CGGA O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 361801 LYQCUKYZFNQYEG-UHFFFAOYSA-N 277.663 3.467 50 50 CGGA C[C@@H]1CCC/C(=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 252320807 UPXNXQWSYDTWFQ-HVJWHPFBSA-N 270.376 3.472 50 50 CGGA N#CC(C(=O)c1cccs1)=C1Nc2ccccc2N1 240414 MYRBOIOSJNMRQM-UHFFFAOYSA-N 267.313 3.204 50 50 CGGA BrCCCCB1Oc2ccccc2O1 169876773 OCRCQJNMXARNMQ-UHFFFAOYSA-N 254.920 3.121 50 50 CGGA in-vitro C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccco1 12343197 ZAECCYCIFIWLGL-WOJGMQOQSA-N 294.310 3.292 50 50 CGGA CCc1nc2c(s1)[C@H](N(C)C(=O)[C@@H](C)Cl)CCC2 1875364639 PCYCRPNOLOKUSL-PSASIEDQSA-N 286.828 3.169 50 50 CGGA COC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[C@H]1Br 254507966 VHRHVTRJERUPBV-UKKRHICBSA-N 275.186 3.139 50 50 CGGA NNC(=O)CCCCCCCCCCCCCCO 4587803 SDSMQUMJDGSUFU-UHFFFAOYSA-N 272.433 3.040 50 50 CGGA C[C@H](Oc1ccccc1)C(=O)N/N=C/C=C/c1ccccc1 4037030 OBNPPHAEQOBVNK-LBTOJGMPSA-N 294.354 3.269 50 50 CGGA CCOC(=O)[C@H](Cc1cccc(Cl)c1)SC#N 2923522 KIHSDSNHELZJLQ-NSHDSACASA-N 269.753 3.028 50 50 CGGA N#C[C@H](Br)[C@@H](Br)c1ccccc1 3086289 LBRFOFQHSRWMEB-IUCAKERBSA-N 288.970 3.410 50 50 CGGA Cc1ccc(C(=O)C(C#N)=C2Nc3ccccc3N2)cc1 5687204 AQRYPCAITQBIDT-UHFFFAOYSA-N 275.311 3.451 50 50 CGGA O=C(NNc1ccccc1)Nc1ccc(Cl)cc1 2161951 AGWCZLGCTUBHLR-UHFFFAOYSA-N 261.712 3.489 50 50 CGGA C[P+](CCCC(=O)O)(c1ccccc1)c1ccccc1 100696628 GRINEEWXCRMUCH-UHFFFAOYSA-O 287.319 3.150 50 50 CGGA CCO[P@@](=O)(CCl)Oc1ccc([N+](=O)[O-])cc1 34100055 VCLXXZPCUQQRDS-KRWDZBQOSA-N 279.616 3.400 50 50 CGGA C[C@@H](Cl)C(=O)N(Cc1ccccc1)C1(C#N)CCC1 1875303892 RENUORGHXINSJP-GFCCVEGCSA-N 276.767 3.089 50 50 CGGA CCSC1=C(C#N)[C@H](c2ccc(C)cc2)CC(=O)N1 9374397 QEGVUYASHWUEER-LBPRGKRZSA-N 272.373 3.087 50 50 CGGA O=C(CBr)c1cc(F)ccc1Br 87224538 NYXFGTZHLKBZIL-UHFFFAOYSA-N 295.933 3.166 50 50 CGGA in-vitro O=[N+]([O-])c1ccc(OC2CC2)c(CBr)c1 389626443 KQDYZMNRNTZZQU-UHFFFAOYSA-N 272.098 3.031 50 50 CGGA CC(=O)O[C@@H]1CC(C)=CCCC(C=O)=C[C@@H]2[C@H]1C2(C)C 1503886581 WDPMIKJGUYMIBS-BZUAXINKSA-N 276.376 3.446 50 50 CGGA biogenic Fc1cccc(Cl)c1Cn1ccc(N=C=S)n1 2536521 MKXPGZKIAJYXIM-UHFFFAOYSA-N 267.716 3.458 50 50 CGGA C#CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195782104 FCIMVIXBNIWHMA-UHFFFAOYSA-N 294.470 3.196 50 50 CGGA CCCCOc1ccc(NC(=O)CCCl)cc1 74941593 VDKBOXGGDIHFSL-UHFFFAOYSA-N 255.745 3.433 50 50 CGGA N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(F)cc1 445239 KBMKLWFJCKMCID-FMIVXFBMSA-N 282.274 3.077 50 50 CGGA O=C(N/N=C/c1c[nH]c2ccccc12)[C@@H]1[C@H]2CCCC[C@H]21 245327367 OULDITXIYNXNCL-ARNYVSLCSA-N 281.359 3.054 50 50 CGGA COc1c(F)cc(CBr)cc1Cl 2527791 SXXSRVKICKOIEA-UHFFFAOYSA-N 253.498 3.383 50 50 CGGA O=C(N/N=C/c1ccc(Cl)cc1)C1[C@H]2CCCC[C@H]12 100309901 ZICXPCYZGYWGFM-OAMQDSFOSA-N 276.767 3.226 50 50 CGGA O=C(CBr)c1ccccc1C(F)(F)F 161936 KWZCBMKXNYOQAK-UHFFFAOYSA-N 267.044 3.283 50 50 CGGA in-vitro O=C(CCl)Nc1nc(-c2ccc(F)cc2)cs1 874001 WZAPOTONSHTHMJ-UHFFFAOYSA-N 270.716 3.127 50 50 CGGA CN(C(=O)NCCCl)c1cccc(Cl)c1Cl 2141562 NAMMCEMFDUYBIP-UHFFFAOYSA-N 281.570 3.378 50 50 CGGA ClCc1nc(Cc2ccccc2Br)no1 55334430 LECBGDSRRBIMFY-UHFFFAOYSA-N 287.544 3.162 50 50 CGGA CC(C)C[C@@H]1[C@@H]2C[C@@H](C)CC=C2C(C#N)=C(N)C1(C#N)C#N 106234806 IUHJLXRLZKXXEP-JGGQBBKZSA-N 294.402 3.405 50 50 CGGA Cc1c(C(=O)CBr)oc2ccc(F)cc12 539184 JNEHXVCCZXTQLT-UHFFFAOYSA-N 271.085 3.458 50 50 CGGA biogenic Cc1cc2nc(C(Cl)Cl)nc([C@@H]3C[C@@H]3C)n2n1 1857800482 ADNSFFGVYZQBAP-CAHLUQPWSA-N 271.151 3.032 50 50 CGGA CC[C@H](Br)C(=O)Nc1ccccc1C 243823 UKPMVBQRESJJMN-VIFPVBQESA-N 256.143 3.107 50 50 CGGA Cc1c(C(=O)[C@@H](C)Br)c2ccccc2n1C 64038129 HJCJRAHORMTLBI-MRVPVSSYSA-N 280.165 3.453 50 50 CGGA O=C(Cc1cccs1)N/N=C\c1ccccc1Cl 32624039 CYIHIDSZSUFJNA-DHDCSXOGSA-N 278.764 3.094 50 50 CGGA N#C/C(=C\c1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 439097 ZQHQZWSODWFHNL-MDWZMJQESA-N 266.256 3.365 50 50 CGGA CC(=C/c1ccccc1)/C=N/NC(=O)COc1ccccc1 4293100 QWFMOZVBDPLCGU-WAZQMIMHSA-N 294.354 3.271 50 50 CGGA FC(F)(F)C(CI)C(F)(F)F 2525273 HCBFQHMXNKGYLU-UHFFFAOYSA-N 291.960 3.162 50 50 CGGA CC1(C)CC(=O)C/C(=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 100315841 NJIUMOBBPJKDDT-QYIVHRSDSA-N 298.386 3.042 50 50 CGGA CC1(CBr)CCN(C(=O)OC(C)(C)C)CC1 95743193 AJQJBZGMIYZGLM-UHFFFAOYSA-N 292.217 3.419 50 50 CGGA in-vitro CCCCCCCC(=O)NNC(=O)c1ccccc1Cl 2865078 GSDUFDRDMCVOEY-UHFFFAOYSA-N 296.798 3.462 50 50 CGGA N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccncc1 405833 JHLZUOQCSYLILM-KRWDZBQOSA-N 299.333 3.453 50 50 CGGA CC(C)(C)C(=O)[C@@H](Br)C(=O)c1ccccc1 100698237 ARIAGFMLAOIDIA-JTQLQIEISA-N 283.165 3.248 50 50 CGGA O=[N+]([O-])c1ccc(C(F)(F)CBr)cc1 95147699 QKRCUCJYDUOQCD-UHFFFAOYSA-N 266.041 3.082 50 50 CGGA Cn1c(/C(C#N)=C/c2ccncc2)nc2ccccc21 3899812 UWXRQZSSEWNKIX-JLHYYAGUSA-N 260.300 3.032 50 50 CGGA CCCCc1ccc(NC(=O)[C@@H](F)Cl)c(C)n1 2325898472 FHSXSPMVJSUQIB-LLVKDONJSA-N 258.724 3.206 50 50 CGGA CC[C@H](Br)C(=O)Nc1cc(C)ccc1OC 266474 IMNJXPFMNPDBBF-VIFPVBQESA-N 286.169 3.116 50 50 CGGA O=C(N/N=C\c1cccc(Cl)c1)[C@@H]1[C@H]2CCCC[C@H]21 245238435 OFBYMBUHMQNIGO-CLMKRYLLSA-N 276.767 3.226 50 50 CGGA Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)O)c1C 12504692 VWXDPCYQVFSNTR-DHDCSXOGSA-N 280.327 3.394 50 50 CGGA Cc1ccc(CNC(=O)[C@@H](C)Cl)c2ccccc12 1875380476 QFFYFHIRDBWADU-LLVKDONJSA-N 261.752 3.392 50 50 CGGA N#C/C(=C\c1ccc(Cl)cc1Cl)c1nnc(N)s1 4091139 OUPMOQLCUDKXJJ-XVNBXDOJSA-N 297.170 3.491 50 50 CGGA C[C@@H](Cl)C(=O)Nc1ccc2nc(C3CC3)oc2c1 1875364161 GJGCLSMUSANFDH-SSDOTTSWSA-N 264.712 3.271 50 50 CGGA CCc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 59243 JQCFNWBYDZHEDG-INIZCTEOSA-N 294.354 3.064 50 50 CGGA CCC[C@@H]1[C@H]2C[C@H](C)CC=C2C(C#N)=C(N)C1(C#N)C#N 34897475 UZVWCYJDXOXVAJ-OSAQELSMSA-N 280.375 3.159 50 50 CGGA N#Cc1c(NC(=O)CCl)sc2c1CCCCC2 3885992 LFUMGIOQKSBEQA-UHFFFAOYSA-N 268.769 3.066 50 50 CGGA O=C(Cl)c1cccc(Br)c1C(=O)Cl 148220878 XPKCUKYZEQRZBW-UHFFFAOYSA-N 281.920 3.207 50 50 CGGA CCCCCCCC(=O)N/N=C/c1ccc(O)cc1 2756038 DFDJXJVNZZTUAL-FOWTUZBSSA-N 262.353 3.203 50 50 CGGA Cc1cc(=O)c(OCc2ccccc2)c(CCl)n1C 1775970277 KOXAEXKWPTWTEO-UHFFFAOYSA-N 277.751 3.012 50 50 CGGA N#CC(C#N)=CNc1nc(-c2ccccc2)cs1 408512 ZOBJOPUJBZIUCS-UHFFFAOYSA-N 252.302 3.153 50 50 CGGA O=C/C=C/c1ccccc1NC(=O)c1ccccc1 2024012 UWKXWRIRYVEEHY-UXBLZVDNSA-N 251.285 3.151 50 50 CGGA Cc1cc(C(=O)N/N=C/c2sccc2C)c(C)o1 381489 ZAQNPEWDRDASEK-VGOFMYFVSA-N 262.334 3.030 50 50 CGGA CCOC(=O)c1ccc(C(F)(F)F)nc1CCl 38264702 AYCFLPOPQPQINQ-UHFFFAOYSA-N 267.634 3.016 50 50 CGGA C[C@H](Cl)C(=O)N(C)[C@H](Cc1ccccn1)C(C)(C)C 1875364878 XCGFAVFSLASKGS-WCQYABFASA-N 282.815 3.125 50 50 CGGA C[C@@H](Br)C(=O)c1ccc2c(c1)CCC2 16322515 LMPSOELIGSAFSV-MRVPVSSYSA-N 253.139 3.141 50 50 CGGA C/C(=N\NC(=O)c1ccccc1)c1ccc(Cl)cc1 5282564 PMKFHOCRKFYCNI-GZTJUZNOSA-N 272.735 3.494 50 50 CGGA C/C(=N\NC(=O)c1cc(C)n[nH]1)c1cccc2ccccc12 5317590 OTTVRFGKJLWPDS-XDHOZWIPSA-N 292.342 3.025 50 50 CGGA CCOc1ccccc1-c1ccc(/C=C(\C#N)C(=O)OC)o1 4541844 NTNYFWZACJEMRF-ZRDIBKRKSA-N 297.310 3.425 50 50 CGGA N#CC1=C(N)Oc2c(ccc3cccnc23)[C@H]1c1ccccc1 44595 VNPNHFYNGHHFDS-MRXNPFEDSA-N 299.333 3.453 50 50 CGGA CCOc1ccccc1[P@@](C)(=O)c1ccccc1 391653 MRPGMHUSNXKRCT-SFHVURJKSA-N 260.273 3.029 50 50 CGGA CCOc1cc(C(=O)Cl)c(Br)cc1OC 40451493 KEGBFVRCVUYMHR-UHFFFAOYSA-N 293.544 3.235 50 50 CGGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2[C@@H]1CC=CCC1 115462 DFIBLPWNKGOUGB-IAQYHMDHSA-N 298.386 3.326 50 50 CGGA biogenic,in-vitro N#Cc1ccc(Br)c(CBr)c1 79063936 AEXYSQSKOJJWLK-UHFFFAOYSA-N 274.943 3.216 50 50 CGGA O=C(Br)c1ccc(CBr)cc1 2507444 VUYGJYAPDGKPBF-UHFFFAOYSA-N 277.943 3.117 50 50 CGGA N#CC1=C(N)[C@@](c2ccccc2)(N2CCCCC2)CCC1 96027158 UCFPBOTYIABPCG-GOSISDBHSA-N 281.403 3.288 50 50 CGGA FC(F)Oc1ccc(C(F)(F)F)nc1CCl 390227120 CROVMKVFDOXASC-UHFFFAOYSA-N 261.577 3.441 50 50 CGGA O=C(CCl)N1CCc2cc(-c3ccccc3)ccc21 1875364559 VPBJJNVIJVNEHE-UHFFFAOYSA-N 271.747 3.482 50 50 CGGA O=C(Cc1ccc(Cl)cc1)N/N=C/c1cccs1 307990 YSFDAOSZXIOSTL-OQLLNIDSSA-N 278.764 3.094 50 50 CGGA FC(F)(F)[C@@H](Br)[C@H](Cl)Br 103527652 JPHVAZGSOZCLPO-LWMBPPNESA-N 290.304 3.272 50 50 CGGA in-vitro Cc1ccccc1C(=O)N/N=C/c1c[nH]c2ccccc12 66463 HVADAYSIMDENGP-YBFXNURJSA-N 277.327 3.240 50 50 CGGA Cc1occc1C(=O)N/N=C/c1c(F)cccc1Cl 280729 CSGVYRWNWXPMDU-FRKPEAEDSA-N 280.686 3.144 50 50 CGGA COC(=O)c1ccc(Cl)c(CBr)c1 38876110 OXXGTEJKZZKAJV-UHFFFAOYSA-N 263.518 3.022 50 50 CGGA CCC[C@@H]1[C@@H]2C[C@H](C)CC=C2C(C#N)=C(N)C1(C#N)C#N 34897473 UZVWCYJDXOXVAJ-UXIGCNINSA-N 280.375 3.159 50 50 CGGA COc1cc(OC)c(NC(=O)CCCCl)cc1Cl 2141568 SPWMZBFNTOIWQF-UHFFFAOYSA-N 292.162 3.315 50 50 CGGA Fc1cc(CBr)c(C(F)(F)F)cn1 238585866 GREIZEXYRCTAQL-UHFFFAOYSA-N 258.012 3.134 50 50 CGGA Cc1ccc(OCC(=O)NN=C2CCC(C)CC2)cc1 4372798 PNKAAGNTWVGZIC-UHFFFAOYSA-N 274.364 3.056 50 50 CGGA N#C/C(=C\c1cccnc1)c1ccc([N+](=O)[O-])cc1 37866106 VPPVBPKDASSWAG-MDWZMJQESA-N 251.245 3.054 50 50 CGGA N#Cc1cc(Br)ccc1CBr 97756571 RPQAJIVYLBTILC-UHFFFAOYSA-N 274.943 3.216 50 50 CGGA Fc1ccc(Br)c(CBr)c1 2584271 CZLWYKAZAVYQIK-UHFFFAOYSA-N 267.923 3.483 50 50 CGGA in-vitro C[C@H](Br)C(=O)c1c[nH]c2ccccc12 531055 NKDRSWRYWHAWHV-ZETCQYMHSA-N 252.111 3.134 50 50 CGGA C[C@H](Br)C(=O)Nc1ccccc1C(F)(F)F 32919867 XIWMZTOAUKQLAP-LURJTMIESA-N 296.086 3.427 50 50 CGGA COc1ccccc1NC(=O)/C(C#N)=C/C=C/c1ccco1 373953 CZOVMIQBDMEBAA-JUIFMIJLSA-N 294.310 3.390 50 50 CGGA CC(C)c1ccc(/C=C2/C(=O)ON=C2CCl)cc1 34926721 ZSPRQLGHBLEWMC-KPKJPENVSA-N 263.724 3.345 50 50 CGGA O=C(CBr)c1ccc(F)c(C(F)(F)F)c1 2243367 BUNOSKWLVXNWEH-UHFFFAOYSA-N 285.034 3.422 50 50 CGGA in-vitro COC(=O)CO/C=C(/C#N)c1ccc(Cl)cc1Cl 4093066 VBLPCAPIPZVREX-VURMDHGXSA-N 286.114 3.047 50 50 CGGA C[C@H](Cl)C(=O)N[C@H](CC1CCCCC1)c1ncccn1 1875364025 ACOVONGEBMERBC-WCQYABFASA-N 295.814 3.232 50 50 CGGA N#C/C(=C\c1cccs1)C(=O)Nc1ccc(F)cc1 48578 YTAQRFRKEHKBIH-CSKARUKUSA-N 272.304 3.433 50 50 CGGA Cc1ccccc1OCC(=O)N/N=C/C=C/c1ccccc1 1956443 NSDBZZSYNCOFJH-MMWWNLEXSA-N 294.354 3.189 50 50 CGGA O=C(CBr)Nc1cc(Cl)cc(Cl)c1 2555782 PNEDZNUPEOAKGR-UHFFFAOYSA-N 282.952 3.327 50 50 CGGA COC(=O)c1cc(CBr)ccc1Cl 96029105 CATAJHNFXWLJRA-UHFFFAOYSA-N 263.518 3.022 50 50 CGGA N#C/C=C1\[C@@H]2C[C@@H]3/C(=C\C#N)[C@H]4[C@H]5[C@@H]3[C@H]2[C@@H]2[C@@H]5[C@@H]3[C@H](C=C[C@H]34)[C@@H]12 257346449 GLRCUDFZDJUISA-USQLVKSDSA-N 298.389 3.322 50 50 CGGA Cc1n[nH]cc1-c1cccc(CBr)c1 725271561 HMVVPIGAQSNNRH-UHFFFAOYSA-N 251.127 3.280 50 50 CGGA CC[C@@H](NC(=O)/C(C#N)=C\C1CC1)c1ccccc1 1875365827 LKYXQOXJBFVZCN-BAAYTWLHSA-N 254.333 3.114 50 50 CGGA C[C@H](NC(=O)/C(C#N)=C/c1ccco1)c1ccccc1 227216 PZKTUROORYRIQT-LQELWAHVSA-N 266.300 3.064 50 50 CGGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccccc1 124706 WELJVPYORKVYLQ-WOJGMQOQSA-N 277.327 3.240 50 50 CGGA CC/C(=N\NC(N)=O)[C@H]1C[C@H](C(C)C)CC=C1C 20058309 PHTQOJFYWWOMIB-KBUSKATCSA-N 251.374 3.049 50 50 CGGA Cc1cccc(Cl)c1NC(=O)[C@H](C)Br 235445573 IQIUTHVCKHKVKK-ZETCQYMHSA-N 276.561 3.370 50 50 CGGA C[C@@H](Cl)C(=O)NCCCO[C@@H]1CCCc2ccccc21 1875364883 XDWZKWIJIVSDGH-IUODEOHRSA-N 295.810 3.214 50 50 CGGA O=C(CCl)N[C@H](Cc1ccccc1)c1ccccc1F 1116434065 MFWCZFMCJNLICO-OAHLLOKOSA-N 291.753 3.465 50 50 CGGA CC1=C(C#N)C(c2ccc(O)cc2Cl)C(C#N)=C(C)N1 19912107 PAVOWQCYKAJCSD-UHFFFAOYSA-N 285.734 3.328 50 50 CGGA O=C(CBr)c1cccc(C(F)(F)F)c1 161943 TZIYNLSEBAYCBZ-UHFFFAOYSA-N 267.044 3.283 50 50 CGGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(F)cc1 245226529 ARKQPFCUHVXHMV-OLXINACNSA-N 274.339 3.102 50 50 CGGA C[C@@H](Cl)C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 1875363892 CVSNSQATPADGNN-VXGBXAGGSA-N 280.799 3.091 50 50 CGGA N#C/C(=C\c1ccc(F)cc1)S(=O)(=O)c1ccccc1 450685 LZDUKMOYVURBSH-XNTDXEJSSA-N 287.315 3.164 50 50 CGGA O=P(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 8015444 PQTLSVRQJMZPSJ-UHFFFAOYSA-N 287.082 3.215 50 50 CGGA O=C(Cl)c1cc(Br)ccc1Cl 2390497 TZIQQJRRMJWMDI-UHFFFAOYSA-N 253.910 3.482 50 50 CGGA in-vitro O=C(CBr)Nc1cccc(C(F)(F)F)c1 3184358 OSKNAKFZYROIOL-UHFFFAOYSA-N 282.059 3.039 50 50 CGGA in-vitro O=C([C@@H](F)Cl)N1CCC(c2cc(F)cc(F)c2)CC1 1875362300 ZGFJIQIWLQIHAE-GFCCVEGCSA-N 291.700 3.205 50 50 CGGA COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1 524071 BWETZJSFESLIFF-LICLKQGHSA-N 288.734 3.113 50 50 CGGA Cc1sc(/C=C(/C#N)C(N)=S)cc1Br 30750764 JMYHCKCYWFOWNK-KXFIGUGUSA-N 287.207 3.012 50 50 CGGA Cc1n[nH]cc1-c1ccc(CBr)cc1 725272784 VIBPTHYTBGJWRO-UHFFFAOYSA-N 251.127 3.280 50 50 CGGA