smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccccc1CNC(=O)CBr 41736684 NEIWMHSQPSGADK-UHFFFAOYSA-N 242.116 2.006 50 50 BEGA CN(N)C(=O)Nc1ccc(C(F)(F)F)cc1 71766385 JASKKIUPYPYADK-UHFFFAOYSA-N 233.193 2.043 50 50 BEGA Cc1ccc(/C=N/NC(=O)c2ccccc2)o1 59575 DJOKLSDXONAQHX-NTEUORMPSA-N 228.251 2.352 50 50 BEGA O=C(Cl)c1ccc([N+](=O)[O-])c(F)c1 2243158 DPAMLESDGWVDBW-UHFFFAOYSA-N 203.556 2.113 50 50 BEGA in-vitro O=[N+]([O-])c1cccc(CBr)c1 1693930 LNWXALCHPJANMJ-UHFFFAOYSA-N 216.034 2.490 50 50 BEGA in-vitro COc1ccccc1C(=O)CBr 2242579 GKNCPTLOPRDYMH-UHFFFAOYSA-N 229.073 2.273 50 50 BEGA O=C(NCCCl)Nc1ccc(F)cc1 1730588 NQVQWNNGRKPRIW-UHFFFAOYSA-N 216.643 2.186 50 50 BEGA C[C@H](Cl)C(=O)Nc1ccc2c(c1)OCCO2 3886396 PJGWNKJMXNUHCI-ZETCQYMHSA-N 241.674 2.024 50 50 BEGA CC(=O)Nc1ccc(NC(=O)CCCl)cc1 9038920 NIEJZCWBKFKLRM-UHFFFAOYSA-N 240.690 2.212 50 50 BEGA O=C(O)CCSSc1ccccn1 13547081 DJBRKGZFUXKLKO-UHFFFAOYSA-N 215.299 2.297 50 50 BEGA in-vitro C=CCCC1(C#N)CCN(C(=O)CCl)CC1 1875369156 VZVYWFAEAOMCLH-UHFFFAOYSA-N 240.734 2.324 50 50 BEGA Cc1occc1C(=O)N/N=C/c1cccc(O)c1 228175 XEWMTNXFMNRZTR-RIYZIHGNSA-N 244.250 2.058 50 50 BEGA O=C1Oc2ccccc2[C@@H]1Br 2170244 MXSVEBOOHMKMQG-ZETCQYMHSA-N 213.030 2.042 50 50 BEGA Cc1nc(C(C)C)oc1CNC(=O)[C@H](C)Cl 1875376209 OZBKTWZUBWUVIP-ZETCQYMHSA-N 244.722 2.350 50 50 BEGA C[C@H]1C[C@H](C)CN(C(=O)CCCl)C1 5748680 LNSIPBCCURESMW-IUCAKERBSA-N 203.713 2.120 50 50 BEGA in-vitro CN1CCCC[C@@H]1CCBr 19092545 RVFDXBVOOIJCGE-MRVPVSSYSA-N 206.127 2.256 50 50 BEGA in-vitro Cc1ccc(/C=N/NC(=O)c2cccnc2)cc1 227667 AJGNVRKQGIZFJM-CXUHLZMHSA-N 239.278 2.154 50 50 BEGA N#C[C@H](Cl)Cc1ccc([N+](=O)[O-])cc1 63287 MZPNWHGZPIHRNC-MRVPVSSYSA-N 210.620 2.268 50 50 BEGA in-vitro COc1cc2c(cc1OC)C(CCl)=NCC2 1847054 GSJCDIYPXGPPGI-UHFFFAOYSA-N 239.702 2.288 50 50 BEGA COC(=O)c1ccccc1CCBr 39237330 ODGOVUCLDAPMKP-UHFFFAOYSA-N 243.100 2.411 50 50 BEGA O=C(N/N=C/c1ccccc1O)c1cccs1 138918 PXDXCRHRUMIWQS-MDWZMJQESA-N 246.291 2.218 50 50 BEGA C/C(=C(/C#N)C(=O)NC1CC1)c1ccccc1 6292576 CLLSXGNAJAJMFN-JLHYYAGUSA-N 226.279 2.262 50 50 BEGA O=[N+]([O-])c1cccc(OCCBr)c1 1703072 QBUSKXLDUNPEMZ-UHFFFAOYSA-N 246.060 2.369 50 50 BEGA in-vitro COC(=O)[C@](C)(N=C=S)c1ccccc1 165502701 ADHKQMAZPNPPJA-LLVKDONJSA-N 221.281 2.178 50 50 BEGA O[C@@H]1[C@H](Cl)[C@H]2C[C@H]1C(F)(F)[C@@]2(F)Cl 239235252 VQTGDXWDCHAADO-DGPNFKTASA-N 235.032 2.144 50 50 BEGA CC[C@@H](Br)C(=O)NC1CCCC1 9304503 WBRJZNYXASAEPH-MRVPVSSYSA-N 234.137 2.219 50 50 BEGA C[C@H](Br)CBr 2041259 XFNJYAKDBJUJAJ-VKHMYHEASA-N 201.889 2.165 50 50 BEGA Cc1cc([C@@H](C)NC(=O)[C@@H](C)Cl)ccn1 1875369775 GUOQGBLJEFEBNA-RKDXNWHRSA-N 226.707 2.195 50 50 BEGA CC[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 115423 DULJRAHNWCJXCR-MRVPVSSYSA-N 246.310 2.380 50 50 BEGA Cc1cccc2ncc(C[C@@H](C)Cl)c(=O)n12 332172 MOVPWYHBNGKFAA-MRVPVSSYSA-N 236.702 2.173 50 50 BEGA C[C@H](NC(=O)CCCl)c1ccccc1 5355076 XMIFWHHFOCEJRN-VIFPVBQESA-N 211.692 2.493 50 50 BEGA in-vitro CCn1ncc(Br)c1C(=O)Cl 6125633 MHFGEIMWFNJLIC-UHFFFAOYSA-N 237.484 2.045 50 50 BEGA O=C(CCCl)Nc1ccc2c(c1)OCCO2 5753187 YHRDEJFGHGFMHU-UHFFFAOYSA-N 241.674 2.025 50 50 BEGA BrCc1ccc2c(c1)OCO2 33985812 UNYHRXLMTSXVIB-UHFFFAOYSA-N 215.046 2.310 50 50 BEGA in-vitro CC[C@@H](Br)C(=O)N1CCC(C)CC1 34926249 RNYWXFNNVKILRT-SECBINFHSA-N 248.164 2.418 50 50 BEGA COc1ccc(NC(=O)OCCCl)cc1 2162151 MIXXDQCIWOLJSB-UHFFFAOYSA-N 229.663 2.483 50 50 BEGA O=C=NC1(C(F)(F)F)Oc2ccccc2O1 26438334 LIOWGEHTAZGWAH-UHFFFAOYSA-N 231.129 2.010 50 50 BEGA O=C(CBr)c1ccc(Cl)cn1 82048672 LAZQJVLXFVZZCY-UHFFFAOYSA-N 234.480 2.313 50 50 BEGA in-vitro C[C@H](Cl)C(=O)N[C@@H]1CC[C@]2(C1)CC2(F)F 1875369173 XKYDCOAVAQTEJN-OOZYFLPDSA-N 237.677 2.308 50 50 BEGA CC(C)(C)c1cc(NC(=O)CCl)no1 19094178 MZAGTAPJCLVZHA-UHFFFAOYSA-N 216.668 2.149 50 50 BEGA in-vitro N#CS[C@H](C#N)Cc1cccc([N+](=O)[O-])c1 63267 BZQNSPAPXZEASH-JTQLQIEISA-N 233.252 2.244 50 50 BEGA COc1ccc(C)cc1NC(=O)CCl 163409 ZVVBFKIUBBHWEV-UHFFFAOYSA-N 213.664 2.181 50 50 BEGA in-vitro O=CC1=C(Cl)c2cc(F)ccc2OC1 165157 RBLLNXBYFXPIPW-UHFFFAOYSA-N 212.607 2.367 50 50 BEGA in-vitro COC(=O)/C(C#N)=C\c1ccc(Cl)cc1 4579487 PZMKZVIGENYNFE-TWGQIWQCSA-N 221.643 2.420 50 50 BEGA O=C(Cl)COc1ccccc1Cl 9245898 IKODIMKOCSGKHQ-UHFFFAOYSA-N 205.040 2.484 50 50 BEGA in-vitro C[C@H](Cl)C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12 1875364522 UEPTWNICIHBQEJ-HWNAMQAFSA-N 249.741 2.316 50 50 BEGA CCOC(=O)c1[nH]c(C)cc1N=C=S 167325197 QNGBZGBMUGCDPQ-UHFFFAOYSA-N 210.258 2.234 50 50 BEGA O=C(NN=C1C[C@H]2CC[C@H]1C2)c1ccc(O)cc1 252445452 GTOJNROBWPRSFC-ONGXEEELSA-N 244.294 2.298 50 50 BEGA CC1CCC(=C(C#N)C(=O)NC2CC2)CC1 1459230 VLJPWKPGISKYOK-UHFFFAOYSA-N 218.300 2.295 50 50 BEGA COc1ccc(OC)c(CC(=O)Cl)c1 2539435 RAPIPBRHRYSAHQ-UHFFFAOYSA-N 214.648 2.012 50 50 BEGA O=Cc1cccc(OCCBr)c1 2567157 FYSRAGLPXRVAPN-UHFFFAOYSA-N 229.073 2.273 50 50 BEGA O=C(CCCCl)NC1CCCCC1 2584139 KYKIYEJLXULPLV-UHFFFAOYSA-N 203.713 2.454 50 50 BEGA in-vitro O=C(CCl)O[C@H]1C=C[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1 216513478 CIVSQZHBFCCJGV-LIJGXYGRSA-N 224.687 2.145 50 50 BEGA O=C(CBr)c1ccnc(Cl)c1 12370493 BZWBRLWSWBQIBX-UHFFFAOYSA-N 234.480 2.313 50 50 BEGA in-vitro Cn1ncc(N=C=O)c1-c1c(F)cccc1F 828332132 UBEPSWZHASNILW-UHFFFAOYSA-N 235.193 2.333 50 50 BEGA COc1ccc(Cc2noc(CCl)n2)cc1 42390096 GURLMZQHDPXUMN-UHFFFAOYSA-N 238.674 2.408 50 50 BEGA CCc1ccc(/C=N/NC(=O)c2ccncc2)o1 71774268 DHJQPJCMNCZHFW-OQLLNIDSSA-N 243.266 2.001 50 50 BEGA CC(=O)NNc1nc2ccc(Cl)cc2s1 1470505765 TYGVIUQGOCAVJA-UHFFFAOYSA-N 241.703 2.413 50 50 BEGA O=C(N/N=C/c1c(F)cccc1Cl)C1CC1 164967 BLQYVHWXWKICAW-MKMNVTDBSA-N 240.665 2.339 50 50 BEGA O=C(CCl)N1CC(CC(F)F)(C2CC2)C1 1875370168 DOYKZQLZAZQNME-UHFFFAOYSA-N 237.677 2.119 50 50 BEGA N#C/C(=C\C=C\c1ccccc1)C(N)=S 40571 ZFQNTRNDIHSZDF-VCABWLAWSA-N 214.293 2.436 50 50 BEGA in-vitro CC[C@](C)(/C=N/NC(N)=O)c1ccccc1 3137090 OOHSBCHKDYCRMX-ZMTLZGASSA-N 219.288 2.008 50 50 BEGA O=C(CCl)O[C@H]1C=C[C@H]2[C@H]3C=C[C@@H](C3)[C@@H]12 257355738 CIVSQZHBFCCJGV-VGBILLHSSA-N 224.687 2.145 50 50 BEGA C#C[C@@H](C)N(C(=O)CCl)C1CCCCC1 1857787510 ZENWLULBJRVPEI-SNVBAGLBSA-N 227.735 2.408 50 50 BEGA COc1c(CCl)cc2c(c1OC)C(=O)OC2 2164482 RSIMRXASOOWZDV-UHFFFAOYSA-N 242.658 2.113 50 50 BEGA CC[C@]1(C)CC(=O)N(CCCCCl)C1=O 148607949 UYBFUZXRIPADLM-LLVKDONJSA-N 231.723 2.181 50 50 BEGA COC(=O)c1cc(F)ccc1N=C=S 169676220 CTLOLYOZLMTBHA-UHFFFAOYSA-N 211.217 2.347 50 50 BEGA C[C@H](Cl)C(=O)N[C@H]1CC(C)(C)OC1(C)C 1875377505 FZGSJQKMBJYFHK-YUMQZZPRSA-N 233.739 2.076 50 50 BEGA O=[N+]([O-])c1cc(CCl)cc([N+](=O)[O-])c1 2567954 SMJODKZAFKWUJG-UHFFFAOYSA-N 216.580 2.242 50 50 BEGA O=C1OC(=O)c2cc([N+](=O)[O-])cc3cccc1c23 95581519 FLFLZYYDLIKGJQ-UHFFFAOYSA-N 243.174 2.059 50 50 BEGA O=[PH](c1ccc(F)cc1)c1ccc(F)cc1 115810227 WMQXKXZCFOGSFU-UHFFFAOYSA-N 238.173 2.475 50 50 BEGA O=C(CCCl)N[C@H]1CCCC[C@H]1Cl 5494866 LBEMAZKONHSRED-SFYZADRCSA-N 224.131 2.282 50 50 BEGA O=C(NNc1ccccc1F)[C@@H]1C[C@@H]1C1CC1 152930664 RBIGHFNINCLZJM-NXEZZACHSA-N 234.274 2.315 50 50 BEGA O=C(Cc1cccs1)N/N=C/c1ccccc1 5024468 KHJWSCGGMLAHBS-GXDHUFHOSA-N 244.319 2.441 50 50 BEGA Cc1ccc(N(N)C(=O)OCC(C)C)cc1 757125950 CMZOFDRZFQBXMU-UHFFFAOYSA-N 222.288 2.468 50 50 BEGA CN(C(=O)CCl)[C@H]1C[C@H]1c1ccccc1 1875364740 SCSBCFKXLCJKGA-QWRGUYRKSA-N 223.703 2.240 50 50 BEGA C/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 4990546 KRVPCWQFLRNSLB-JYRVWZFOSA-N 247.254 2.111 50 50 BEGA N#CC(C#N)=C(N)SCc1ccccc1 13285615 NBHISXYZFMVUNF-UHFFFAOYSA-N 215.281 2.137 50 50 BEGA COc1ccc(C(=O)CSC#N)cc1OC 2812364 WAIJFLLFDYMRFP-UHFFFAOYSA-N 237.280 2.101 50 50 BEGA biogenic COC(=O)N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 1875390445 BMSIWLDUUPQQQX-RLIBDNNLSA-N 222.288 2.155 50 50 BEGA CC(C)(C)[Si](C)(C)O[C@H]1CCNC1 196059153 SDLGKSBUCUJCRU-VIFPVBQESA-N 201.386 2.370 50 50 BEGA in-vitro C[C@H]1CCc2nc(NC(=O)CCl)sc2C1 4454339 AJCKEQISKDYDRN-LURJTMIESA-N 244.747 2.445 50 50 BEGA in-vitro COC(=O)c1ccccc1CBr 2580764 QKASDIPENBEWBU-UHFFFAOYSA-N 229.073 2.368 50 50 BEGA Cc1cccc(NC(=O)CCCCl)n1 5936097 FCMWVGDPKDWOAU-UHFFFAOYSA-N 212.680 2.348 50 50 BEGA in-vitro O=C(Cl)c1cccc([N+](=O)[O-])c1F 67800082 KUUCCWUWJBJSGJ-UHFFFAOYSA-N 203.556 2.113 50 50 BEGA in-vitro CCOC(=O)/C(C#N)=C\c1ccc(C)o1 4529638 IAAGILHIAZLHNR-TWGQIWQCSA-N 205.213 2.058 50 50 BEGA C[C@@]1(COC(=O)CCl)C[C@H]2C=C[C@H]1C2 101093660 NAVLRXJHMYVFAW-QXEWZRGKSA-N 214.692 2.371 50 50 BEGA CC1(C)C[C@@](C#N)(O[Si](C)(C)C)CO1 306145182 CTOICSDMPKHMBI-JTQLQIEISA-N 213.353 2.299 50 50 BEGA CCOc1cc(C=C(C#N)C#N)ccc1O 245428 NICBMMKNBWCVPN-UHFFFAOYSA-N 214.224 2.221 50 50 BEGA biogenic N#CSc1ccc(N2CCOCC2)cc1 262092 CWTIBXVOHLUGNH-UHFFFAOYSA-N 220.297 2.096 50 50 BEGA O=C(N/N=C/c1ccc(O)cc1)[C@H]1CC12CCC2 22017711 BLXJGIVOUMXCMH-KMHUVPDISA-N 244.294 2.033 50 50 BEGA CCOc1ccc(NC(=O)CCl)cc1 31297 NKPPVEIJXVVHGF-UHFFFAOYSA-N 213.664 2.263 50 50 BEGA in-vitro BrCc1cccc2nonc12 158668 OFUZQEBZOGPUBJ-UHFFFAOYSA-N 213.034 2.118 50 50 BEGA in-vitro CC(C)OC(=O)c1cc(N)ccc1SC#N 12382706 ALZNGONSAQJRQL-UHFFFAOYSA-N 236.296 2.407 50 50 BEGA CN(C)C(=S)SSC(=S)N(C)C 1532176 KUAZQDVKQLNFPE-UHFFFAOYSA-N 240.444 2.061 50 50 BEGA biogenic,in-man O=C(CCl)N[C@@H]1CCCc2ccccc21 4487621 SLQUITRGZWAZBX-LLVKDONJSA-N 223.703 2.419 50 50 BEGA COc1ccc(NC(=O)CCCl)c(OC)c1 5744141 FDZXCZHTVPOSTB-UHFFFAOYSA-N 243.690 2.271 50 50 BEGA CC[C@@H]1CCCCN1C(=O)[C@@H](C)Cl 6224415 AZONHAYWAQFQQF-RKDXNWHRSA-N 203.713 2.405 50 50 BEGA O=C(CBr)c1cccc([N+](=O)[O-])c1 153650 GZHPNIQBPGUSSX-UHFFFAOYSA-N 244.044 2.172 50 50 BEGA CCO[C@H](CCl)n1nnc2ccccc21 5335398 UPKSHXVCZYREAX-SNVBAGLBSA-N 225.679 2.205 50 50 BEGA C#C[C@H](NC(=O)CCl)[C@H]1CCc2ccccc21 1875377292 BLOGYKYDCGGFEV-STQMWFEESA-N 247.725 2.073 50 50 BEGA COc1cc(F)c(C(=O)Cl)c(F)c1 2243355 QVJWYHJWQQEEKW-UHFFFAOYSA-N 206.575 2.352 50 50 BEGA in-vitro O=C(Cl)Cc1cc(F)c(F)cc1F 255187880 HHZJMWSJJGYJHN-UHFFFAOYSA-N 208.566 2.412 50 50 BEGA COc1ccc(F)c(F)c1C(=O)Cl 2528402 XYFNRGYOYWRUSY-UHFFFAOYSA-N 206.575 2.352 50 50 BEGA ClCCN1CCN(Cc2ccccc2)CC1 23093888 SLOLBVBZWFLGMO-UHFFFAOYSA-N 238.762 2.043 50 50 BEGA N#C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](Cl)C#N 3123684 JUHQMTGBAXRGBT-ZJUUUORDSA-N 235.630 2.333 50 50 BEGA C[C@@]12CC=CC[C@]1(C)CC(=NNC(N)=O)C2 43761740 ZKYYGBPWBXPHGO-TXEJJXNPSA-N 221.304 2.167 50 50 BEGA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCl 238855657 SJQAZCTZMYEFHA-HRDYMLBCSA-N 203.713 2.166 50 50 BEGA in-vitro O=C(CCl)Nc1cc(F)ccc1F 153688 ACJQYTPZZNZWAE-UHFFFAOYSA-N 205.591 2.142 50 50 BEGA in-vitro O=CC1=Cc2cc(Br)ccc2OC1 2001821 UMACKWGLPRYSPV-UHFFFAOYSA-N 239.068 2.424 50 50 BEGA in-vitro Cc1nnsc1-c1onc(C)c1C(=O)Cl 2513522 DXNHDDQNUFULTA-UHFFFAOYSA-N 243.675 2.189 50 50 BEGA CC(C)/C=C1\CCCC\C1=N/NC(N)=O 5016960 UUYVXLCVOIADCR-IJQSQKGZSA-N 209.293 2.167 50 50 BEGA O=[S@@]1Nc2ccc(Cl)cc2S1 34619374 NQDSUDHTQUDKOC-LLVKDONJSA-N 205.691 2.436 50 50 BEGA CCCCc1ccc(/C=C/B(O)O)cc1 169746570 AJCKKPVFZKJQTH-MDZDMXLPSA-N 204.078 2.054 50 50 BEGA CCOC(=O)c1ccc(CBr)cn1 196100322 PTPLKDVJXUNSTE-UHFFFAOYSA-N 244.088 2.153 50 50 BEGA Nc1nccc(CCl)c1C(F)(F)F 238698848 FIVBNGTYXBGQBW-UHFFFAOYSA-N 210.586 2.421 50 50 BEGA CN(C(=O)CCl)[C@@H]1C[C@H]1c1ccccc1 1875364741 SCSBCFKXLCJKGA-WDEREUQCSA-N 223.703 2.240 50 50 BEGA Cc1nc(-c2cc(C(=O)Cl)no2)cs1 2506128 ZMLLGBGFTHPMID-UHFFFAOYSA-N 228.660 2.486 50 50 BEGA C/C(=N\NC(=O)c1cccs1)C1CC1 5222868 SPDZLOWROCGQCG-YRNVUSSQSA-N 208.286 2.264 50 50 BEGA CN(C)/C=C(\C#N)C(=O)c1ccccc1Cl 12336600 SOZNEWYNLUEBPT-CMDGGOBGSA-N 234.686 2.492 50 50 BEGA Cc1cc(C)n(-c2ccc(N=C=O)cc2)n1 12370827 UMLKVWYKGPVEGG-UHFFFAOYSA-N 213.240 2.456 50 50 BEGA in-vitro CC[C@@H](NC(=O)CCl)c1c(C)noc1C 1329862511 IPOZQMZBGCKBJD-MRVPVSSYSA-N 230.695 2.098 50 50 BEGA C[C@@H](Cl)C(=O)NC[C@H]1CCOC2(CCC2)C1 1875375469 CEAGGLXQEKXDSM-ZJUUUORDSA-N 245.750 2.079 50 50 BEGA O=NN(CCCl)C(=O)NC1CCCCC1 3831006 GQYIWUVLTXOXAJ-UHFFFAOYSA-N 233.699 2.251 50 50 BEGA fda Cc1ccc2nc(C3CC3)cc(C(=O)NN)c2c1 6279185 JKUVZRGYJKBAGP-UHFFFAOYSA-N 241.294 2.024 50 50 BEGA COc1cc(C(=O)Cl)cc(OC)c1C 30714944 HOQDXNMVZFRKAQ-UHFFFAOYSA-N 214.648 2.391 50 50 BEGA O=C(CCl)N[C@@H]1CCOC2(CCCCC2)C1 1320465415 JDNGERAJIQAXTQ-SNVBAGLBSA-N 245.750 2.223 50 50 BEGA C[C@@H](Cl)C(=O)NC[C@@H]1CCO[C@H]1C(C)(C)C 1875380451 PDTWHQNJOXSDEA-KXUCPTDWSA-N 247.766 2.181 50 50 BEGA O=C(N/N=C/c1ccco1)c1ccc(F)cc1 262836 LHXRWWWWTVMWDS-RIYZIHGNSA-N 232.214 2.183 50 50 BEGA COc1ccc2c(c1)C(=O)[C@@H](Br)C2 2392163 VTTUAPDDJQOXBO-VIFPVBQESA-N 241.084 2.198 50 50 BEGA ClCc1ccc2nnc([C@@H]3CCCO3)n2c1 34924931 SJVMASSOHNFTKR-VIFPVBQESA-N 237.690 2.320 50 50 BEGA Cc1ccsc1/C=N/NC(=O)c1ccncc1 255783 JDDWZULHEYPHOH-RIYZIHGNSA-N 245.307 2.215 50 50 BEGA Cc1cc(C(=O)N/N=C/c2cccnc2)c(C)o1 381483 DYRQTZXBFNGPIA-OVCLIPMQSA-N 243.266 2.055 50 50 BEGA O=C1O[C@@H](CCl)CN1Cc1ccccc1 34347971 SKDXQXIPVWLQPY-JTQLQIEISA-N 225.675 2.246 50 50 BEGA Nc1ccc(CCl)c(C(F)(F)F)n1 238587821 ZXENZURKWPUDJW-UHFFFAOYSA-N 210.586 2.421 50 50 BEGA O=S(=O)(Cc1ccccc1)C(Cl)Cl 1721824 OEQLHHCZXUIWJK-UHFFFAOYSA-N 239.123 2.363 50 50 BEGA COC(=O)N/N=C(\C)CCc1ccc(O)cc1 221981370 DAXMJNQDVZRKAL-UKTHLTGXSA-N 236.271 2.057 50 50 BEGA CC[C@@H](Br)C(=O)Nc1nccs1 9262856 AKJINHVPVKYWNC-RXMQYKEDSA-N 249.133 2.255 50 50 BEGA in-vitro O=C(N/N=C/c1ccc(O)cc1)[C@@H]1CC12CCC2 22017707 BLXJGIVOUMXCMH-DGGAMASNSA-N 244.294 2.033 50 50 BEGA ClCc1cn(C2CCSCC2)nn1 390822623 FAHYSFWCIAFJSR-UHFFFAOYSA-N 217.725 2.085 50 50 BEGA O=C(CCl)Nc1cccc(N2CCCC2)c1 19094408 FKUPPGKBFIBLNA-UHFFFAOYSA-N 238.718 2.464 50 50 BEGA COc1cccc(NC(=O)[C@H](C)Cl)c1 2546051 JDIWUXIJTVDGMA-ZETCQYMHSA-N 213.664 2.261 50 50 BEGA in-vitro C[C@H](Br)C(=O)NCc1ccccc1 6020105 TVHQJFAUJYBAAE-QMMMGPOBSA-N 242.116 2.086 50 50 BEGA C[C@H]1CN(C(=O)[C@@H](C)Cl)Cc2cccn21 1875376366 UQGHWYBMOLFVJL-DTWKUNHWSA-N 226.707 2.019 50 50 BEGA COC(=O)c1ccc(NC(=O)[C@@H](C)Cl)cc1 20206507 DNZCPJCEDLTTPL-SSDOTTSWSA-N 241.674 2.039 50 50 BEGA O=C[C@H]1SC(=O)N(c2ccccc2)[C@@H]1Cl 3122863 NHXLXWICYIHKMZ-BDAKNGLRSA-N 241.699 2.492 50 50 BEGA C[C@@H](NC(=O)CCCl)c1ccccc1 5357938 XMIFWHHFOCEJRN-SECBINFHSA-N 211.692 2.493 50 50 BEGA in-vitro N#C/C(=C/c1c[nH]c2ccccc12)C(=O)O 35287385 VEXPFUXVCVZRLI-YVMONPNESA-N 212.208 2.159 50 50 BEGA in-vitro N#Cc1ccc2c(c1)[C@H](Br)OC2=O 196546306 GXRRHCPEMYNHOM-MRVPVSSYSA-N 238.040 2.122 50 50 BEGA CCOc1c(OC)cccc1C(=O)Cl 33433342 QNWBKBUDIBNWER-UHFFFAOYSA-N 214.648 2.473 50 50 BEGA Cc1cccc(/C=N/NC(=O)c2ccncc2)c1 61605 BXFSDMGIAJXUDF-MHWRWJLKSA-N 239.278 2.154 50 50 BEGA N#C[C@@H](Cl)Cc1ccc([N+](=O)[O-])cc1 63286 MZPNWHGZPIHRNC-QMMMGPOBSA-N 210.620 2.268 50 50 BEGA in-vitro O=C(O)[C@@H](Br)c1ccccc1 156598 WAKFRZBXTKUFIW-ZETCQYMHSA-N 215.046 2.207 50 50 BEGA in-vitro C[C@@H](Br)C(=O)Nc1ccccc1 163720 OPPUMGDCQYPOSM-SSDOTTSWSA-N 228.089 2.409 50 50 BEGA in-vitro O=C(CCl)Nc1ccc(Cl)c(C(=O)O)c1 6453365 AMMJNLFFBNGTJU-UHFFFAOYSA-N 248.065 2.216 50 50 BEGA in-vitro CCCCN(C)C(=O)[C@H](Br)CC 32919670 FAIJOPYLMDURBM-MRVPVSSYSA-N 236.153 2.418 50 50 BEGA C[C@H]1Oc2c(F)cccc2[C@@H]1NC(=O)CCl 1875364336 OEWOJIOSQKWPBP-LHLIQPBNSA-N 243.665 2.003 50 50 BEGA O=S(=O)(CCCCl)Cc1ccccc1 1721896 JTUKZELJXQSUNH-UHFFFAOYSA-N 232.732 2.230 50 50 BEGA O=C(CCl)N1CCSc2ccccc21 4206227 AYFZGNOUGDUMDS-UHFFFAOYSA-N 227.716 2.364 50 50 BEGA in-vitro ClCCN1C2=NCCCN2c2ccccc21 5785765 NWFGZRLGENNRGZ-UHFFFAOYSA-N 235.718 2.312 50 50 BEGA COc1cc(OC)cc(C(=O)Cl)c1 1578917 FTHPLWDYWAKYCY-UHFFFAOYSA-N 200.621 2.083 50 50 BEGA in-vitro CCOC(=O)/C(C#N)=C\[C@H]1CCOC(C)(C)C1 13549228 YDFKHOVFNWIXOF-PAKSIRSJSA-N 237.299 2.205 50 50 BEGA CCOC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1 28241 UWWFWHASAAPOLK-FMIVXFBMSA-N 244.294 2.223 50 50 BEGA O=C(N/N=C/[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccncc1 100435108 VUCKSEXZWPSNKP-CJFFUSRVSA-N 241.294 2.009 50 50 BEGA ClCc1cn(Cc2ccc(Cl)nc2)nn1 328579507 MCBXSDSNYVQDFS-UHFFFAOYSA-N 243.097 2.114 50 50 BEGA O=C1CC[C@@H](CCl)N1Cc1ccccc1 2569604 BRRQAOCSBBICOV-NSHDSACASA-N 223.703 2.416 50 50 BEGA OB(O)/C=C/c1ccc(-c2ccccc2)cc1 169870786 NTRGFVQIGQYKIL-ZHACJKMWSA-N 224.068 2.379 50 50 BEGA in-vivo O=C(CCl)N[C]1Nc2ccccc2S1 334160175 VTXXVZLJFALPMX-UHFFFAOYSA-N 227.696 2.006 50 50 BEGA C=CCC/C(C)=N\NC(=O)c1cc(O)cc(O)c1 4964121 VUOYLCHRMBFAPI-ZROIWOOFSA-N 248.282 2.170 50 50 BEGA C[C@@H]1C[C@@H](C)CN(C(=O)CCCl)C1 5747830 LNSIPBCCURESMW-RKDXNWHRSA-N 203.713 2.120 50 50 BEGA in-vitro CCOC(=O)[C@@H](N=C=S)c1ccccc1 40457225 SGAJVPQXVYYRGG-JTQLQIEISA-N 221.281 2.394 50 50 BEGA NNC(=O)CC(c1ccccc1)c1ccccc1 2020412 CHQPMMMDWSZFDN-UHFFFAOYSA-N 240.306 2.199 50 50 BEGA CCOC(=O)[C@H](Br)C1CCC1 307742194 TYURMPYVEWURHR-SSDOTTSWSA-N 221.094 2.113 50 50 BEGA O=C=Nc1ccccc1I 152314 VVNMGFXOVZRKQF-UHFFFAOYSA-N 245.019 2.259 50 50 BEGA O=C(CCl)c1cc(Cl)ccc1O 2042451 XHEIVUNKCGWDBD-UHFFFAOYSA-N 205.040 2.467 50 50 BEGA COc1ccc(OC)c(NC(=O)[C@@H](C)Cl)c1 3379283 RMRDVDAALOHFAM-SSDOTTSWSA-N 243.690 2.270 50 50 BEGA Cc1cc2c(=O)[nH]c(CCl)nc2s1 4911348 MXAYFCHUXRRPQJ-UHFFFAOYSA-N 214.677 2.032 50 50 BEGA in-vitro CCCCN(C)C(=O)[C@@H](Br)CC 32919668 FAIJOPYLMDURBM-QMMMGPOBSA-N 236.153 2.418 50 50 BEGA C[C@@H]1Oc2c(F)cccc2[C@@H]1NC(=O)CCl 1875364338 OEWOJIOSQKWPBP-QUBYGPBYSA-N 243.665 2.003 50 50 BEGA CC(C)(C)OC(=O)N1CCC(Cl)=C(C=O)C1 36472807 KHJZRPYVBQGUNI-UHFFFAOYSA-N 245.706 2.319 50 50 BEGA Cc1ccccc1[P@](=O)(O)c1ccccc1 100070168 JTGJSHWRMGFNQK-UHFFFAOYSA-N 232.219 2.216 50 50 BEGA FC(F)(F)c1cc(CBr)ncn1 250818009 WLNJMIIVDACRBK-UHFFFAOYSA-N 241.010 2.390 50 50 BEGA CC(=O)Nc1ccc(C=C(C#N)C#N)cc1 283219 HDJOIOGUBRECCC-UHFFFAOYSA-N 211.224 2.076 50 50 BEGA O=C(CCCCl)Nc1nccs1 2567128 WXZBRABIRIFUQJ-UHFFFAOYSA-N 204.682 2.101 50 50 BEGA in-vitro COc1ccccc1NC(=O)CBr 5746525 DMOPLFALZWOOTI-UHFFFAOYSA-N 244.088 2.029 50 50 BEGA NC(=O)NN=C1C[C@H]2CCCCC[C@@H](C1)C2 43762887 KDQFNHBPYLPFFW-AOOOYVTPSA-N 223.320 2.391 50 50 BEGA O=Cc1ccccc1OCCBr 3883757 WFWZIRRKFGVIOS-UHFFFAOYSA-N 229.073 2.273 50 50 BEGA C=C(C)CN(CC(=C)C)C(=O)CCl 71774049 TTZHOMGNARIMSE-UHFFFAOYSA-N 201.697 2.206 50 50 BEGA NCCCP(c1ccccc1)c1ccccc1 1719737 DQZWMOWSTWWMPP-UHFFFAOYSA-N 243.290 2.468 50 50 BEGA COc1ccc([N+](=O)[O-])cc1CBr 2567959 JRHMPHMGOGMNDU-UHFFFAOYSA-N 246.060 2.498 50 50 BEGA in-vitro CCOC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1 4706875 UWWFWHASAAPOLK-XFXZXTDPSA-N 244.294 2.223 50 50 BEGA in-vitro N#Cc1cccc(OCCBr)c1 19414105 OQAYBNVLPKSUPI-UHFFFAOYSA-N 226.073 2.332 50 50 BEGA in-vitro O=C(N/N=C/c1cccnc1)Nc1ccccc1 271103 PPWULDSYAUZJON-XNTDXEJSSA-N 240.266 2.237 50 50 BEGA O=[S@]1Nc2ccc(Cl)cc2S1 34619372 NQDSUDHTQUDKOC-NSHDSACASA-N 205.691 2.436 50 50 BEGA Cc1ccc(C(=O)N/N=C/c2ccncc2)cc1 3091638 UIVRXJFNVPEHMS-MHWRWJLKSA-N 239.278 2.154 50 50 BEGA CC[C@H](Br)C(=O)N(CC)CC 32919603 HCCISENHKZNNDZ-ZETCQYMHSA-N 222.126 2.028 50 50 BEGA COc1cc(CCl)cc(OC)c1OC 1662528 XXRUQNNAKXZSOS-UHFFFAOYSA-N 216.664 2.451 50 50 BEGA in-vitro OCCC/C=C\CCI 16952676 UICVZWISNDVZGE-UPHRSURJSA-N 240.084 2.140 50 50 BEGA O=C(CCl)c1cc(F)c(F)c([N+](=O)[O-])c1 263624640 SEYYPPPFLYHQRU-UHFFFAOYSA-N 235.573 2.295 50 50 BEGA CC1=CC(C)(C)Nc2c(C(=O)NN)cc(C)cc21 169681449 RVAZCYLWCCJMBM-UHFFFAOYSA-N 245.326 2.206 50 50 BEGA O=[N+]([O-])c1ccc(CCl)c([N+](=O)[O-])c1 1845982 DARDYTBLZQDXBK-UHFFFAOYSA-N 216.580 2.242 50 50 BEGA in-vitro C[C@H](Cl)C(=O)NC[C@@H]1CCOC2(CCC2)C1 1875375467 CEAGGLXQEKXDSM-VHSXEESVSA-N 245.750 2.079 50 50 BEGA Cc1noc(C)c1CCBr 3163918 JWPUEMZGYPSUBM-UHFFFAOYSA-N 204.067 2.229 50 50 BEGA in-vitro CCOC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1 4578707 YVACJZRCOWZWPY-YFHOEESVSA-N 246.222 2.065 50 50 BEGA in-vitro CCCOC(=O)/C(O)=C(\C#N)c1ccccc1 102312850 CYOWBSCFWRZZTJ-QXMHVHEDSA-N 231.251 2.432 50 50 BEGA CC(=O)O[C@@H](CCl)[C@H](Cl)CCl 1596963 CBGPTBHKLSQXGN-RITPCOANSA-N 219.495 2.003 50 50 BEGA CC(=O)O[C@H](CCl)[C@@H](Cl)CCl 1596966 CBGPTBHKLSQXGN-NTSWFWBYSA-N 219.495 2.003 50 50 BEGA CCOC(=O)/C(O)=C(\C#N)c1ccccc1C 102312869 XNSVJBORYUCRDG-QXMHVHEDSA-N 231.251 2.351 50 50 BEGA CNC(=O)N/N=C(\C)[C@@H]1C[C@H]1c1ccccc1 585145956 IELSGKKIRACVBS-GYBNWTSNSA-N 231.299 2.095 50 50 BEGA C/C(=N\NC(=O)c1ccoc1C)c1cccnc1 56181 XWVWSDQVXIXDPB-OQLLNIDSSA-N 243.266 2.137 50 50 BEGA CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)NN)cc1 2387638 XWQNNQGLRZLURU-RYUDHWBXSA-N 232.327 2.078 50 50 BEGA COc1ccc([N+](=O)[O-])cc1N=C=S 2528185 QVOHAYVRNBCJDV-UHFFFAOYSA-N 210.214 2.338 50 50 BEGA in-vitro COc1ccc(Cl)c(C(=O)Cl)n1 71789939 LHRGRVZEHBNLKH-UHFFFAOYSA-N 206.028 2.123 50 50 BEGA in-vitro CO[C@@H]1CCN(C(=O)[C@@H](F)Cl)C2(CCC2)C1 2325897633 BEFQROSKYXLXIT-RKDXNWHRSA-N 249.713 2.081 50 50 BEGA C/C(=N\NC(=O)c1ccoc1C)c1ccncc1 232444 CWGLTZALEUVWSU-OQLLNIDSSA-N 243.266 2.137 50 50 BEGA COc1ccc(C2(C(=O)Cl)CC2)cc1 11833629 OJVWBPMSOJAJDI-UHFFFAOYSA-N 210.660 2.492 50 50 BEGA C[C@]1(c2cccs2)C[C@@H]1CNC(=O)CCl 1875364648 PJOYNABDVMEZTF-KCJUWKMLSA-N 243.759 2.381 50 50 BEGA CC[C@H](c1ccncc1)N(C)C(=O)CCl 1116437615 KFZTYZNRROGTNK-SNVBAGLBSA-N 226.707 2.230 50 50 BEGA COc1ccc(-c2nc(CCl)no2)cc1 165216 LSYCZBSPYWGGHC-UHFFFAOYSA-N 224.647 2.484 50 50 BEGA in-vitro Cc1sc2nc(CCCl)[nH]c(=O)c2c1C 337991 PDXSYBSPRMAXDS-UHFFFAOYSA-N 242.731 2.383 50 50 BEGA FC(F)(F)CCI 2391037 ULIYQAUQKZDZOX-UHFFFAOYSA-N 223.963 2.374 50 50 BEGA in-vitro C[C@@H](Br)C(=O)NCc1ccccc1 6032486 TVHQJFAUJYBAAE-MRVPVSSYSA-N 242.116 2.086 50 50 BEGA O=C(CCBr)CCBr 100026701 JVWRMAONKJMECW-UHFFFAOYSA-N 243.926 2.126 50 50 BEGA O=C(CBr)c1cc(F)ccc1O 2243410 QFYYHGPQMZTLRB-UHFFFAOYSA-N 233.036 2.109 50 50 BEGA in-vitro CO/N=C/C(C#N)=C/c1ccccc1[N+](=O)[O-] 3046988 DSKOFVMGHRXXSR-IMWXLZLDSA-N 231.211 2.134 50 50 BEGA O=C1OC(=O)[C@@H]2[C@H]3CC[C@@H](C4=C3[C@H]3CC[C@H]4C3)[C@@H]12 104306168 WIBPCSHWIYSCDB-GNLHNYBNSA-N 244.290 2.069 50 50 BEGA [C-]#[N+]C[C@@H]1CCCN1C(=O)OC(C)(C)C 106184432 RHJWPRSOYYDGJX-VIFPVBQESA-N 210.277 2.305 50 50 BEGA in-vitro CCOc1ccc(NC[C@H](O)CCl)cc1 433542 CTUDPIPGRUSRFD-SNVBAGLBSA-N 229.707 2.097 50 50 BEGA O=C(Cl)c1ccc(Br)o1 2574178 QLVNUZPODFIOGC-UHFFFAOYSA-N 209.426 2.421 50 50 BEGA in-vitro BrCCn1cnc2ccccc21 19414954 KPDMESZOWPPZMA-UHFFFAOYSA-N 225.089 2.431 50 50 BEGA in-vitro O=[N+]([O-])c1ccccc1OCCBr 1750932 AHOFWSHLRKOJBS-UHFFFAOYSA-N 246.060 2.369 50 50 BEGA in-vitro C/C(=N\NC(N)=O)[C@@H]1C[C@]1(C)C(C)(C)C 4947765 CKQDLWSKFIVAEJ-NVGGYJSVSA-N 211.309 2.103 50 50 BEGA C[C@@H](Cl)CN(C[C@@H](C)Cl)C(=O)CCl 101368539 JMUDIQWZFWZCBH-RNFRBKRXSA-N 246.565 2.308 50 50 BEGA C/C(=N\NC(N)=O)[C@H]1C[C@@]1(C)C(C)(C)C 4947762 CKQDLWSKFIVAEJ-WCXCWQRFSA-N 211.309 2.103 50 50 BEGA COc1ccc(C=C(C#N)C#N)c(OC)c1OC 97529 VDQMDUGZIZBUGN-UHFFFAOYSA-N 244.250 2.143 50 50 BEGA CNC(=O)N/N=C(\C)[C@H]1C[C@H]1c1ccccc1 585145955 IELSGKKIRACVBS-BGAHDCEISA-N 231.299 2.095 50 50 BEGA BrCCOc1ccccc1 3860240 JJFOBACUIRKUPN-UHFFFAOYSA-N 201.063 2.460 50 50 BEGA in-vitro CCOc1ccc(NC=C(C#N)C#N)cc1 388881 XFSLMHROPBYWQR-UHFFFAOYSA-N 213.240 2.428 50 50 BEGA N#C/C(=C/c1ccc(F)cc1)C(N)=S 13545413 TXTBVZMAVKCLRA-YVMONPNESA-N 206.245 2.019 50 50 BEGA C[Si](C)(C)CI 169743084 VZNYXGQMDSRJAL-UHFFFAOYSA-N 214.122 2.299 50 50 BEGA in-vitro COc1cc(NC(=O)CCCl)cc(OC)c1 19094364 FWJIKACTNJJWAJ-UHFFFAOYSA-N 243.690 2.271 50 50 BEGA C[C@@H](Oc1ccc(F)cc1)C(=O)Cl 33432997 LCJOOCNFGDOZGS-ZCFIWIBFSA-N 202.612 2.358 50 50 BEGA O=C(O)[C@@H](Br)c1ccc(F)cc1 12954363 ATILMAUMZRFROS-ZETCQYMHSA-N 233.036 2.346 50 50 BEGA C[C@@H](Cl)C(=O)NCc1noc2ccccc12 1875378321 ZTIJBZLTEAYUQS-SSDOTTSWSA-N 238.674 2.071 50 50 BEGA O=C(Cl)c1cnc(Cl)nc1Cl 11804390 DZTIFMWYYHCREC-UHFFFAOYSA-N 211.435 2.162 50 50 BEGA Nc1ccc(NNC(=O)c2ccccc2)cc1 143207350 VMSIZNQVECHOEJ-UHFFFAOYSA-N 227.267 2.026 50 50 BEGA CO[C@H]1CCN(C(=O)[C@@H](F)Cl)C2(CCC2)C1 2325897631 BEFQROSKYXLXIT-DTWKUNHWSA-N 249.713 2.081 50 50 BEGA Cc1cc(C)c(NC(=O)CCl)c([N+](=O)[O-])c1 30947738 CDQRVOMAODVOQR-UHFFFAOYSA-N 242.662 2.389 50 50 BEGA ClCc1cccn2c([C@@H]3CCCO3)nnc12 40449846 ZNRSUIZCZGUJNY-VIFPVBQESA-N 237.690 2.320 50 50 BEGA C#CCCCOc1ncccc1C(=O)Cl 263623458 HQWUZRHVKSBTNJ-UHFFFAOYSA-N 223.659 2.253 50 50 BEGA COc1ccc(/C(C#N)=C\N(C)C)cc1 167782 JDLABNWECQGHOL-LUAWRHEFSA-N 202.257 2.121 50 50 BEGA Br[C@@H]1CCC[C@@H]2CNCC[C@@H]21 4277200 IIYRCTSNIWCZEC-HRDYMLBCSA-N 218.138 2.160 50 50 BEGA C[C@@H](Cl)C(=O)NCC1(C2CC2)CCC1 391471039 LNJRNSOVGSCEMT-MRVPVSSYSA-N 215.724 2.310 50 50 BEGA O=C(N/N=C/c1cccc(O)c1)C1CCCCC1 580983 OYKZJIUJJCKEMT-XNTDXEJSSA-N 246.310 2.423 50 50 BEGA COC(=O)c1ccc(NC(=O)[C@H](C)Cl)cc1 20206510 DNZCPJCEDLTTPL-ZETCQYMHSA-N 241.674 2.039 50 50 BEGA O=C(O)C[C@H](CN=C=S)c1ccccc1 757190393 AFWKRVRLSAFKQY-SNVBAGLBSA-N 221.281 2.348 50 50 BEGA CC(=O)c1ccc(C=C(C#N)C#N)s1 3130241 JXLLYYBQYRQTSS-UHFFFAOYSA-N 202.238 2.381 50 50 BEGA C[C@H](/C=N/NC(=O)C1CC1)c1ccccc1 4997488 LVHPHJBIILMVIG-GMROUXNLSA-N 216.284 2.302 50 50 BEGA CC1C[C@H](C)N(C(=O)CCl)[C@@H](C)C1 71774060 CMIVKCKUCDZKCN-IUCAKERBSA-N 203.713 2.261 50 50 BEGA BrCc1ccc2[nH]cnc2c1 73740222 IXYOZIVSKCRKCT-UHFFFAOYSA-N 211.062 2.458 50 50 BEGA CCCC(=O)Oc1ccc([N+](=O)[O-])cc1 1841125 DVDUMIQZEUTAGK-UHFFFAOYSA-N 209.201 2.300 50 50 BEGA in-vitro CC[C@@H](Br)C(=O)Br 2242576 HHKDBXNYWNUHPL-GSVOUGTGSA-N 229.899 2.081 50 50 BEGA in-vitro C[C@H](Oc1ccc(F)cc1F)C(=O)Cl 40451336 DMWZHJCKBWUVSF-YFKPBYRVSA-N 220.602 2.498 50 50 BEGA O=C1OC(=O)[C@H]2[C@@H]1[C@H]1CC[C@H]2C2=C1[C@H]1CC[C@H]2C1 257358774 WIBPCSHWIYSCDB-IESPOKHJSA-N 244.290 2.069 50 50 BEGA CC[C@H](Br)C(=O)Br 4521280 HHKDBXNYWNUHPL-VKHMYHEASA-N 229.899 2.081 50 50 BEGA in-vitro Cc1csc(NC(=O)[C@H](C)Br)n1 4735923 NQKIOXSOJPKEKT-YFKPBYRVSA-N 249.133 2.173 50 50 BEGA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Cl 13997758 FERPFSWSQHPEQO-ZETCQYMHSA-N 242.662 2.469 50 50 BEGA ClCCN1CCN(c2ccccc2)CC1 54954952 NTIAVUBMOJPJPM-UHFFFAOYSA-N 224.735 2.047 50 50 BEGA CC(C)(C)[Si](C)(C)OC[C@H]1OC=C[C@@H]1O 169834514 UHHRNZMLENNIIS-VHSXEESVSA-N 230.380 2.282 50 50 BEGA Cc1cc(C(=O)N/N=C/c2ccncc2)cs1 373911 SJZUYXIYJHOJPS-VGOFMYFVSA-N 245.307 2.215 50 50 BEGA O=C=N[C@@H]1CCC[C@H]1OCc1ccccc1 2548049 OBCLNTYESQZKFV-CHWSQXEVSA-N 217.268 2.460 50 50 BEGA C[Si](C)(C)OCC(=O)O[Si](C)(C)C 170154487 MAEQOWMWOCEXKP-UHFFFAOYSA-N 220.417 2.216 50 50 BEGA CC(C)N(Cc1cccn1C)C(=O)CCl 1875369875 NQNONUPPRQDPHH-UHFFFAOYSA-N 228.723 2.001 50 50 BEGA O=C(Cl)c1cncc(Br)c1 2555787 FMDREJRIXNEGEG-UHFFFAOYSA-N 220.453 2.223 50 50 BEGA COC(=O)[C@H](Br)c1ccccc1 11535731 NHFBYYMNJUMVOT-MRVPVSSYSA-N 229.073 2.296 50 50 BEGA in-vitro CC1(C)OCC(CCBr)CO1 5762593 QFLUXIUZRCNNHY-UHFFFAOYSA-N 223.110 2.171 50 50 BEGA in-vitro CC[C@H](Br)C(=O)N1CCC(C)CC1 34926248 RNYWXFNNVKILRT-VIFPVBQESA-N 248.164 2.418 50 50 BEGA COC(=O)[C@H](Cl)c1ccc(F)cc1 50977910 FTLXTMDPQAOBNK-MRVPVSSYSA-N 202.612 2.279 50 50 BEGA in-vitro CCO[Si](C)(C)CCCOC[C@H]1CO1 170154897 HHBOIIOOTUCYQD-JTQLQIEISA-N 218.369 2.034 50 50 BEGA O=C(CCCCl)N1CCCSC1=S 725376933 YQNJNRZWQKXBGB-UHFFFAOYSA-N 237.777 2.256 50 50 BEGA CCOCc1nnc2c(CCl)cccn12 40449839 LKOVACPVHCLNFL-UHFFFAOYSA-N 225.679 2.005 50 50 BEGA N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1555594 XQDQRCRASHAZBA-UHFFFAOYSA-N 225.185 2.076 50 50 BEGA in-vitro N#Cc1ccc2c(c1)[C@@H](Br)OC2=O 196546315 GXRRHCPEMYNHOM-QMMMGPOBSA-N 238.040 2.122 50 50 BEGA O=C(NN=C1C[C@H]2CC[C@H]1C2)c1ccccc1O 252445442 DKXXKFGVKUORKZ-UWVGGRQHSA-N 244.294 2.298 50 50 BEGA N#C/C=C/c1cccnc1Br 169620354 JGRRIGZCTZOTFC-HNQUOIGGSA-N 209.046 2.381 50 50 BEGA O=C(CC1CCCC1)NNC(=O)c1ccccc1 3559646 GBTKRJPESSQPMO-UHFFFAOYSA-N 246.310 2.028 50 50 BEGA Cc1ccc(N(N)C(=O)OC(C)C)cc1 757128002 OQWPINMCCFGKTM-UHFFFAOYSA-N 208.261 2.220 50 50 BEGA Cn1cc(Cl)cc1C(=O)NNc1ccccc1 185647704 PAQWPLXXNQRNGA-UHFFFAOYSA-N 249.701 2.435 50 50 BEGA NCc1ccc(CBr)cc1 2524601 FVFJGQJXAWCHIE-UHFFFAOYSA-N 200.079 2.040 50 50 BEGA in-vitro Cc1n[nH]c2c1C1(CCCCC1)C(C#N)=C(N)O2 18143342 YCHIEBSYBGCZJU-UHFFFAOYSA-N 244.298 2.006 50 50 BEGA O=C(NNc1ccccc1)Nc1cncc(F)c1 799234046 GOQMFEQFKSCAAP-UHFFFAOYSA-N 246.245 2.369 50 50 BEGA O=C(N/N=C/C=C/c1ccco1)c1ccncc1 2702665 PDDIWLUJAMUWCT-AIBSJQBZSA-N 241.250 2.104 50 50 BEGA N#Cc1cc2c3c(cccc3c1)C(=O)OC2=O 141815347 DFCQWZFTXNOGLY-UHFFFAOYSA-N 223.187 2.022 50 50 BEGA C[C@H](Cl)C(=O)N[C@H]1COc2ccc(F)cc21 1875378065 VBVCGEJPWCWTEJ-RCOVLWMOSA-N 243.665 2.003 50 50 BEGA Cc1cc(C(=O)N/N=C/c2cccn2C)cs1 2749512 FAWYTOQWOKTSGP-NTUHNPAUSA-N 247.323 2.159 50 50 BEGA C[C@@H](Cl)C(=O)N[C@H]1CCc2cc(C#N)ccc21 1875377307 BRYFPDPOJWYMPP-PELKAZGASA-N 248.713 2.289 50 50 BEGA COc1ccc(NC(=O)CCCl)cc1 2379768 ZVNNQFDBJXKWOE-UHFFFAOYSA-N 213.664 2.263 50 50 BEGA in-vitro BrCc1cnn(-c2ccccc2)n1 97124 UTQJRGAXADNRCO-UHFFFAOYSA-N 238.088 2.162 50 50 BEGA BrCCc1ccc2c(c1)OCCO2 55230838 NGJZILDWYSVWOA-UHFFFAOYSA-N 243.100 2.395 50 50 BEGA in-vitro CCOC(=O)c1[nH]c(C)c(/C=C/C=O)c1C 2027659 IHINZDNTNROMCO-AATRIKPKSA-N 221.256 2.020 50 50 BEGA ClCCN1CCn2c1nc1ccccc12 233314 GNXNQWVLLARLEP-UHFFFAOYSA-N 221.691 2.095 50 50 BEGA CC(C)(C)[Si](C)(C)OC[C@@H]1OC=C[C@H]1O 169834512 UHHRNZMLENNIIS-ZJUUUORDSA-N 230.380 2.282 50 50 BEGA CC(C)Oc1cc(NC(=O)[C@H](C)Cl)ccn1 1875378263 YJPRQHSXQWUMDS-QMMMGPOBSA-N 242.706 2.435 50 50 BEGA O=C(Br)CCC(F)(F)F 2173244 WIPYLZQCFXBNMI-UHFFFAOYSA-N 204.973 2.250 50 50 BEGA O=C(CBr)c1ccc2c(c1)CCO2 9596206 CZRHIPGIDWESKD-UHFFFAOYSA-N 241.084 2.199 50 50 BEGA in-vitro CC(C)(C)OC(=O)N1CC=C(C#N)CC1 83287763 QFQAHPXXVKMPSS-UHFFFAOYSA-N 208.261 2.077 50 50 BEGA C/C(=N\NC(=O)c1ccccc1)c1ccccn1 5162845 CNLUCMLHJNZXRT-LFIBNONCSA-N 239.278 2.236 50 50 BEGA O=C(CCC1CC1)NNc1ccc(F)cc1 265286306 YVRAKIOUUZXDNA-UHFFFAOYSA-N 222.263 2.459 50 50 BEGA C/C(=N\NC(=O)c1ccccc1)c1ccco1 4483132 CQGATEFROFGTCU-GXDHUFHOSA-N 228.251 2.434 50 50 BEGA O=C1C[C@@]23CC=CC[C@]2(CCCC3)C(=O)O1 101050177 ZMCYGHLKWXDTLW-STQMWFEESA-N 220.268 2.357 50 50 BEGA COc1ccccc1NC(=O)CCCl 5746531 MLIZEDMVMDRWCA-UHFFFAOYSA-N 213.664 2.263 50 50 BEGA C[C@H](Br)C(=O)Nc1ccccc1 163719 OPPUMGDCQYPOSM-ZETCQYMHSA-N 228.089 2.409 50 50 BEGA in-vitro CC(=O)OC[C@H](Cl)[C@@H](Cl)CCl 1596957 YJZNPEOYUFNCNW-WDSKDSINSA-N 219.495 2.003 50 50 BEGA Cc1ccc(C(=O)N/N=C/c2ccco2)cc1 231890 VNJKCISMYLGSHP-NTEUORMPSA-N 228.251 2.352 50 50 BEGA COc1ccc(O[C@H](C)C(=O)Cl)cc1 6251213 IOMGKYYTJICTNN-SSDOTTSWSA-N 214.648 2.228 50 50 BEGA O=C(CCl)NCC[C@@H]1CCCC1(F)F 1334047818 ZXYMUDRLDMFVLJ-ZETCQYMHSA-N 225.666 2.167 50 50 BEGA Cc1csc([C@@H](NC(=O)CCl)C2CC2)n1 1319681578 CMWLBGZQJLVMCC-VIFPVBQESA-N 244.747 2.258 50 50 BEGA CC[C@H]1CCCCN1C(=O)[C@@H](C)Cl 6224866 AZONHAYWAQFQQF-BDAKNGLRSA-N 203.713 2.405 50 50 BEGA Cn1ncc2ccc(CBr)cc21 30677748 PRENRLXOGJUJAG-UHFFFAOYSA-N 225.089 2.468 50 50 BEGA in-vitro C#CCCCCC(=O)NNc1ccc(F)cc1 179702845 ZGSZYQUNMWWGDY-UHFFFAOYSA-N 234.274 2.462 50 50 BEGA O=P1(CO)c2ccccc2Nc2ccccc21 502205 DUALCVAAKZCZED-UHFFFAOYSA-N 245.218 2.007 50 50 BEGA C[Si](C)(C)NC(=O)O[Si](C)(C)C 170159469 DGIJAZGPLFOQJE-UHFFFAOYSA-N 205.406 2.382 50 50 BEGA NC(=O)N/N=C1\CC[C@H]2CCCCC[C@@H]12 71785534 GFXVNOCGRSSUEW-FLEAMGMESA-N 209.293 2.001 50 50 BEGA C/C(=N\NC(=O)C(F)F)c1cccc(Cl)c1 2325731129 DWMYJVAVYULGKX-MKMNVTDBSA-N 246.644 2.445 50 50 BEGA CCOC(=O)/C(C#N)=C/c1ccc(C)cc1 47513 KKIZDEFOEGGSKX-XYOKQWHBSA-N 215.252 2.465 50 50 BEGA O=C1C[C@@]23CC=CC[C@@]2(CCCC3)C(=O)O1 101050179 ZMCYGHLKWXDTLW-QWHCGFSZSA-N 220.268 2.357 50 50 BEGA CCC[Si](OCC)(OCC)OCC 169746773 NBXZNTLFQLUFES-UHFFFAOYSA-N 206.358 2.445 50 50 BEGA in-vitro C[C@H](Cl)C(=O)N[C@@H]1CCc2c(C#N)cccc21 1875370351 LLFWWOCAMFQVGH-QPUJVOFHSA-N 248.713 2.289 50 50 BEGA CO[Si](C)(CC[C@@H]1CC[C@H]2O[C@@H]2C1)OC 196290293 SLQTWNAJXFHMHM-HBNTYKKESA-N 230.380 2.309 50 50 BEGA O=C(NNc1ccccc1)[C@H]1CCCCS1 272922654 KBCJYZVIGNQXPU-LLVKDONJSA-N 236.340 2.415 50 50 BEGA COc1ccc(F)cc1C(=O)CBr 2576075 BHVKAQAGKAZQDP-UHFFFAOYSA-N 247.063 2.412 50 50 BEGA in-vitro COc1ccc(C(=O)CCl)cc1F 3440633 UPNWCPIQVVOSHQ-UHFFFAOYSA-N 202.612 2.256 50 50 BEGA in-vitro N#CS[C@H](C#N)Cc1ccc([N+](=O)[O-])cc1 242841 XJQUTHDJFOSTNZ-JTQLQIEISA-N 233.252 2.244 50 50 BEGA CCOC(=O)/C(C#N)=C\[C@@H]1CCOC(C)(C)C1 4596870 YDFKHOVFNWIXOF-QBQSQJOESA-N 237.299 2.205 50 50 BEGA Cc1ccc(/C=N/NC(=O)c2cccs2)o1 28549 NNEKWNNVBLRZKH-KPKJPENVSA-N 234.280 2.413 50 50 BEGA Cc1ccc2c(Cl)c(C(=O)NN)sc2c1 2379691 UGHMCPQAYIDWES-UHFFFAOYSA-N 240.715 2.467 50 50 BEGA CC1(C)C/C(=N\NC(N)=O)[C@]2(C)CC=C[C@@H]12 43761578 BAOFQKFUDFAMNB-AEOWBMDLSA-N 221.304 2.023 50 50 BEGA CCC1CCC(c2ccc(B(O)O)cc2)CC1 169904961 QRCCELWUDZLZLP-UHFFFAOYSA-N 232.132 2.050 50 50 BEGA in-vitro C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](CC(=O)NN)(C3)C2 215974304 QSGUTXXGKBGRPA-OPAWKCGKSA-N 236.359 2.363 50 50 BEGA O[C@@H]1c2ccccc2CC[C@@H]1Br 3075561 OTLLBSSGPSQQJY-VHSXEESVSA-N 227.101 2.430 50 50 BEGA Cc1cncc(N2CCC[C@H](CCl)C2)n1 12370620 DTVYKEHYUMEUFH-SNVBAGLBSA-N 225.723 2.240 50 50 BEGA in-vitro CC(C)C[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 115397 UOGAPEVGMDMWTL-VIFPVBQESA-N 246.310 2.380 50 50 BEGA BrCC1(c2ccccc2)OCCO1 1393291 NTRATOUBIPAKPQ-UHFFFAOYSA-N 243.100 2.281 50 50 BEGA CC(C)OB(CBr)OC(C)C 169794655 FNHYYZNZIWONBQ-UHFFFAOYSA-N 222.919 2.259 50 50 BEGA in-vitro C=CCN(C(=O)CCl)c1ccccc1 8728661 QSAYWAKBIPTVNP-UHFFFAOYSA-N 209.676 2.444 50 50 BEGA C[C@@H]1C/C(=N\NC(N)=O)[C@@H]2CCCC[C@@H]2S1 22015798 PQZMAJJYFSMMMN-YKSGRKSMSA-N 241.360 2.095 50 50 BEGA CC1(C)C[C@@H](N=C=O)C[C@](C)(CN=C=O)C1 8585910 NIMLQBUJDJZYEJ-PWSUYJOCSA-N 222.288 2.243 50 50 BEGA in-vitro CC1=CC[C@]23CCCC[C@@]2(C1)C(=O)OC3=O 101045875 MIIHEIYLTNDTGU-QWHCGFSZSA-N 220.268 2.357 50 50 BEGA CC1=CC[C@]23CCCC[C@]2(C1)C(=O)OC3=O 101045883 MIIHEIYLTNDTGU-STQMWFEESA-N 220.268 2.357 50 50 BEGA CCN(CC)C(=O)N(N)c1ccc(C)cc1 757127994 OMJRIGROIADHQZ-UHFFFAOYSA-N 221.304 2.137 50 50 BEGA Cn1c(O)c(C=C(C#N)C#N)c2ccccc21 2332777361 NTRBUSUCHBFKOL-UHFFFAOYSA-N 223.235 2.314 50 50 BEGA O=C1Cc2cc(C(=O)CCl)c(Cl)cc2N1 2527714 LWWVMDRRHHCTMZ-UHFFFAOYSA-N 244.077 2.256 50 50 BEGA in-vitro Cc1ccsc1/C=N/NC(=O)c1ccco1 72610 BHUHVOVRUOXXBT-KPKJPENVSA-N 234.280 2.413 50 50 BEGA BrCc1ccc2cn[nH]c2c1 19045764 WJGQBMKELZCPRT-UHFFFAOYSA-N 211.062 2.458 50 50 BEGA CP(=O)(OCCCl)OCCCl 2539351 IPTIBLAAEZFRHZ-UHFFFAOYSA-N 221.020 2.320 50 50 BEGA COc1cccc(NC(=O)[C@@H](C)Cl)c1 2649928 JDIWUXIJTVDGMA-SSDOTTSWSA-N 213.664 2.261 50 50 BEGA in-vitro O=C1CSc2ccc(C(=O)CCl)cc2N1 25725998 YDYLPMPVYALQKQ-UHFFFAOYSA-N 241.699 2.152 50 50 BEGA in-vitro O=[N+]([O-])c1cccc(-c2nnc(CCl)o2)c1 165853 VKEJFVBYGZNDIS-UHFFFAOYSA-N 239.618 2.384 50 50 BEGA O=C1O[C@H](CCl)CN1Cc1ccccc1 34347972 SKDXQXIPVWLQPY-SNVBAGLBSA-N 225.675 2.246 50 50 BEGA O=C(Cl)c1ccc2c(c1)OCCCO2 5177590 DEUUMBWFBYMBNA-UHFFFAOYSA-N 212.632 2.227 50 50 BEGA COC(=O)/C(C#N)=C/c1c[nH]c2ccccc12 258215 JRKWEDQGUNBTEE-RMKNXTFCSA-N 226.235 2.248 50 50 BEGA biogenic,in-vitro C[C@H](Br)C(=O)[C@@H](C)Br 100020314 UOPIOAUZQKSZRO-ZXZARUISSA-N 243.926 2.122 50 50 BEGA CC(C)(C)OC(=O)N1C=C(C=O)CCCC1 950757282 PAUWZESXSQFCCR-UHFFFAOYSA-N 225.288 2.490 50 50 BEGA O=C(N/N=C/c1ccncc1)Nc1ccccc1 33198 ZHYMMIXLRBJREC-XNTDXEJSSA-N 240.266 2.237 50 50 BEGA O=C(Cl)c1cc(F)c(F)c(F)c1[N+](=O)[O-] 2243155 AQWSIWXYNSYACC-UHFFFAOYSA-N 239.536 2.391 50 50 BEGA C[C@@H](Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 3270818 DKFBWJTZPPJWFC-ZCFIWIBFSA-N 228.635 2.161 50 50 BEGA in-vitro O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C[C@H]2C2=C1[C@H]1CCC[C@H]2C1 257355555 BFPGCZVTXJKJCL-LAPIUDCISA-N 244.290 2.069 50 50 BEGA O=C(CCl)Nc1nc2ccccc2s1 9009729 CMUZFXFDVGLPGO-UHFFFAOYSA-N 226.688 2.474 50 50 BEGA O=C1O[C@H](Br)c2ccccc21 2044201 CLMSHAWYULIVFQ-ZETCQYMHSA-N 213.030 2.251 50 50 BEGA in-vitro C[C@H](Cl)C(=O)N1CC=C(C(F)(F)F)CC1 229270250 VGYPPWPKEVRJCM-LURJTMIESA-N 241.640 2.335 50 50 BEGA C#CC[C@H](NC(=O)CCl)c1ccccc1 1875389910 MAIDHKIXGPMCAY-NSHDSACASA-N 221.687 2.106 50 50 BEGA C[C@@H](Br)C(=O)N(C)c1ccccc1 36449672 YSZCCVBDAOBVPN-MRVPVSSYSA-N 242.116 2.433 50 50 BEGA Br[C@H]1C=C[C@H](Br)C1 111334555 AKAJVSSDORNOIX-WHFBIAKZSA-N 225.911 2.473 50 50 BEGA Cc1c(F)cccc1NC(=O)CCl 559376 PUPSLKVJMLPHCE-UHFFFAOYSA-N 201.628 2.311 50 50 BEGA in-vitro O=C(CBr)c1ccccc1[N+](=O)[O-] 1685184 SGXUUCSRVVSMGK-UHFFFAOYSA-N 244.044 2.172 50 50 BEGA biogenic,in-vitro CCCCCC(=O)N/N=C/c1ccc(O)cc1 1956851 IGKPYOSBNZBMQM-GXDHUFHOSA-N 234.299 2.423 50 50 BEGA BrCc1cc(Br)no1 91692585 NFCHMZFEFOKVDT-UHFFFAOYSA-N 240.882 2.332 50 50 BEGA CN(C)C(=O)c1cccc(CBr)c1 137786874 IOABYEUFHYJDMN-UHFFFAOYSA-N 242.116 2.283 50 50 BEGA O=C(CCl)Nc1ccc(-n2ccnc2)cc1 6660843 KVGHXSYDURVJCA-UHFFFAOYSA-N 235.674 2.050 50 50 BEGA COC(=O)N/N=C(\C)c1ccc(Cl)cc1 5282491 FQXCPYZRIPMNCQ-KPKJPENVSA-N 226.663 2.420 50 50 BEGA CC[C@H](Br)C(=O)N1CCCCC1 32919667 DVMIWCRMTVHZHT-QMMMGPOBSA-N 234.137 2.172 50 50 BEGA C/C(=N\NC(=O)c1ccccc1)c1ccoc1 243783 GJYDZYVXWKZOFG-GXDHUFHOSA-N 228.251 2.434 50 50 BEGA O=[N+]([O-])c1ccccc1CBr 1615750 HXBMIQJOSHZCFX-UHFFFAOYSA-N 216.034 2.490 50 50 BEGA N#CS[C@@H](C#N)Cc1ccc([N+](=O)[O-])cc1 242842 XJQUTHDJFOSTNZ-SNVBAGLBSA-N 233.252 2.244 50 50 BEGA CCO[C@@H](CCl)n1nnc2ccccc21 5334726 UPKSHXVCZYREAX-JTQLQIEISA-N 225.679 2.205 50 50 BEGA COC(=O)N/N=C1\C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 1875390442 BMSIWLDUUPQQQX-FEKJOOPLSA-N 222.288 2.155 50 50 BEGA ClCc1ccccc1N1CCOCC1 20369431 DTDMBBZYSCGLKW-UHFFFAOYSA-N 211.692 2.262 50 50 BEGA in-vitro CC(C)(C)OC(=O)NNCc1ccccc1 39150118 OPVJBJKJBHTNCE-UHFFFAOYSA-N 222.288 2.216 50 50 BEGA C[C@H](CCc1ccccc1)NC(=O)CCl 3289309 GBJRIBKHNZKXLN-SNVBAGLBSA-N 225.719 2.363 50 50 BEGA Cc1ccc(C)c2c1CCC1=C2C(=O)OC1=O 101050566 GSBYIMLVZVSIAA-UHFFFAOYSA-N 228.247 2.087 50 50 BEGA Cn1ncc2cccc(CBr)c21 30677739 UTVSNUXEWNVRTG-UHFFFAOYSA-N 225.089 2.468 50 50 BEGA COc1cc(SC#N)ccc1NC(C)=O 396459 OSNZQEUGPIDWQV-UHFFFAOYSA-N 222.269 2.227 50 50 BEGA C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Cl 6249337 LUSJVEATDQEPDS-LURJTMIESA-N 229.619 2.128 50 50 BEGA Cc1cccc(CCBr)n1 1435935 NPQGTEWFJXQOBS-UHFFFAOYSA-N 200.079 2.327 50 50 BEGA in-vitro CC(=O)c1cccc(NC(=O)[C@H](C)Cl)c1 3270820 XOZSNAKRDBYVOT-ZETCQYMHSA-N 225.675 2.455 50 50 BEGA in-vitro C[C@H](Cl)C(=O)NCc1noc2ccccc12 1875378322 ZTIJBZLTEAYUQS-ZETCQYMHSA-N 238.674 2.071 50 50 BEGA C[C@]12CC=CC[C@@]1(C)CS(=O)(=O)[C@@H]2Cl 71785549 FKLWLLJVTHXLBW-LPEHRKFASA-N 234.748 2.342 50 50 BEGA CC[C@H]1CC[C@H](c2ccc(B(O)O)cc2)CC1 250662660 QRCCELWUDZLZLP-HAQNSBGRSA-N 232.132 2.050 50 50 BEGA C[C@@H](Cl)C(=O)N1CC(Cc2cccs2)C1 1875366920 YHJQXPVCJQZACU-MRVPVSSYSA-N 243.759 2.376 50 50 BEGA CC1CCC(=NNC(=O)c2ccncc2)CC1 260202 SLBNEHOMJBNFJF-UHFFFAOYSA-N 231.299 2.378 50 50 BEGA CCCCCC(=O)NNC(=O)c1cccs1 2755891 ZCGJCOSVHRHWGL-UHFFFAOYSA-N 240.328 2.089 50 50 BEGA C=CCC/C(C)=N\NC(=O)c1ccc(O)cc1 4963989 QTPWZCKQZQLKTO-UVTDQMKNSA-N 232.283 2.464 50 50 BEGA ClC[C@@H]1COCCN1Cc1ccccc1 16696990 MSRCVCNYPADFER-GFCCVEGCSA-N 225.719 2.126 50 50 BEGA in-vitro COc1ccc(OC)c(C(=O)CSC#N)c1 2191527 YEZBXVHSYKNBSF-UHFFFAOYSA-N 237.280 2.101 50 50 BEGA C[C@@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 34954466 YXMKLHORHYXDGR-ZJUUUORDSA-N 238.294 2.133 50 50 BEGA CCC/C(=N/NC(=O)CC#N)c1ccccc1 4828721 WMHJEOUKJDBMBL-QINSGFPZSA-N 229.283 2.221 50 50 BEGA O=C(N/N=C/c1ccoc1)c1ccccc1 4932618 JKIADADCRXRUJE-MDWZMJQESA-N 214.224 2.044 50 50 BEGA C=C(CBr)CBr 100007461 BDHXXBPPYQRWMC-UHFFFAOYSA-N 213.900 2.332 50 50 BEGA in-vitro Cc1nn(-c2ccccc2)c(C)c1N=C=O 12957604 FDFNCUNVKIOCAN-UHFFFAOYSA-N 213.240 2.456 50 50 BEGA in-vitro O=C(CCl)NC[C@@H]1CC[C@@H](C(F)(F)F)C1 1875376813 JGTIBKRUAWWMEN-RNFRBKRXSA-N 243.656 2.320 50 50 BEGA O=c1[nH]c2ccc(F)cc2cc1CCCl 332978 KUHKXYHNNLDWFG-UHFFFAOYSA-N 225.650 2.449 50 50 BEGA O=C(CCl)Nc1ccc2n[nH]cc2c1Cl 1875375194 USOAPASICMXHQU-UHFFFAOYSA-N 244.081 2.394 50 50 BEGA O=S1(=O)C[C@]23CCCC[C@@]2(CC3)[C@H]1Cl 104279696 BJJXKSWXELLVLY-IVZWLZJFSA-N 234.748 2.320 50 50 BEGA Br[C@@H]1C=C[C@@H](Br)C1 111334558 AKAJVSSDORNOIX-RFZPGFLSSA-N 225.911 2.473 50 50 BEGA CC1(C)Cc2ccccc2C(=C(C#N)C#N)N1 51795 KXTRQYWNVBFJGJ-UHFFFAOYSA-N 223.279 2.369 50 50 BEGA Cc1n[nH]c(C)c1CCCBr 601008684 MBPQGISNDHBOSH-UHFFFAOYSA-N 217.110 2.354 50 50 BEGA O=C(N[C@H]1CC[C@H]2CC[C@H]1C2)[C@@H](F)Cl 2325898419 BFWHPNOCUIGKCX-RYPBNFRJSA-N 219.687 2.216 50 50 BEGA C[C@@H](Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 3887342 QKSYEZBOHBDLAW-ZCFIWIBFSA-N 228.635 2.161 50 50 BEGA in-vitro CCCOC(=O)N(N)c1ccc(F)cc1 757126976 JBKVUTQDVWPEEK-UHFFFAOYSA-N 212.224 2.052 50 50 BEGA C/C(=N\NC(=O)c1ccco1)c1ccc(O)cc1 12343255 GPCLETNGWXHPMQ-NTEUORMPSA-N 244.250 2.139 50 50 BEGA O=C([C@@H](F)Cl)N1CC[C@H]2CC[C@@H](C1)S2 2325898763 YZNQJSBKBKEIHG-GJMOJQLCSA-N 237.727 2.017 50 50 BEGA C/C=C/C=N/N(C=O)Cc1ccccc1 2915902 GYIPBAJMDBVJGQ-QLFLHOAISA-N 202.257 2.207 50 50 BEGA CC(=O)c1ccccc1NC(=O)CCl 3268189 GBPRTVLCALOMCL-UHFFFAOYSA-N 211.648 2.067 50 50 BEGA in-vitro COc1ccc(CC(=O)Cl)cc1OC 2539256 QBJIMTPENIGDOG-UHFFFAOYSA-N 214.648 2.012 50 50 BEGA C[C@@H](Cl)C(=O)N1CC=C(C(F)(F)F)CC1 229270233 VGYPPWPKEVRJCM-ZCFIWIBFSA-N 241.640 2.335 50 50 BEGA O[C@H]1c2ccccc2C[C@@H]1Br 337060 RTESDSDXFLYAKZ-IUCAKERBSA-N 213.074 2.040 50 50 BEGA COc1cccc(OC)c1C(=O)Cl 1852620 NDXRPDJVAUCBOH-UHFFFAOYSA-N 200.621 2.083 50 50 BEGA biogenic O=C(Cl)c1cccc2c1OC(F)(F)O2 2382132 URZQSPHXJREUFT-UHFFFAOYSA-N 220.558 2.387 50 50 BEGA in-vitro O=C(CCl)c1cc(F)cc(F)c1[N+](=O)[O-] 263624152 NWDOVRQLULUVBE-UHFFFAOYSA-N 235.573 2.295 50 50 BEGA C[C@H](Cl)C(=O)N[C@@H]1COc2ccc(F)cc21 1875378063 VBVCGEJPWCWTEJ-IMTBSYHQSA-N 243.665 2.003 50 50 BEGA CC[C@@H](Br)C(=O)NC(C)(C)C 9304507 DCTDIBXHVGIXFZ-ZCFIWIBFSA-N 222.126 2.075 50 50 BEGA in-vitro Oc1ccc(CBr)c(F)c1 238714939 JVCJJKSEMIXLPM-UHFFFAOYSA-N 205.026 2.426 50 50 BEGA C[C@@H]1C/C(=N\NC(N)=O)[C@@H]2CCCC[C@H]2S1 252498091 PQZMAJJYFSMMMN-GOYAUPTOSA-N 241.360 2.095 50 50 BEGA [N-]=[N+]=NC[C@@H]1CCCCN(C(=O)[C@H](F)Cl)C1 2325878636 WPPPTPAKBQIPPH-YUMQZZPRSA-N 248.689 2.460 50 50 BEGA Fc1cc(CCl)c2c(c1)COCO2 4219084 FMONGDHUPLQOCP-UHFFFAOYSA-N 202.612 2.431 50 50 BEGA biogenic,in-vitro O[C@H](CCl)COc1ccc(Cl)cc1 8615545 VWCSAUUNSFLUSP-MRVPVSSYSA-N 221.083 2.319 50 50 BEGA O=C(NC1CC1)c1ccc(CCl)cc1 36929924 BOBZVYOTNGHXJH-UHFFFAOYSA-N 209.676 2.318 50 50 BEGA in-vitro C[Si](C)(C)OC(=O)CC(=O)O[Si](C)(C)C 169743157 ATCKJLDGNXGLAO-UHFFFAOYSA-N 248.427 2.133 50 50 BEGA in-vitro O=C(CCl)N1CCn2c(cc3ccccc32)C1 1875377615 IVKGKFLBJWRLCC-UHFFFAOYSA-N 248.713 2.222 50 50 BEGA Cc1ccc(F)cc1NC(=O)CCl 153694 YQBGDNLIMVVOMR-UHFFFAOYSA-N 201.628 2.311 50 50 BEGA in-vitro O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C[C@H]2C2=C1[C@H]1CCC[C@H]2C1 216516036 BFPGCZVTXJKJCL-IESPOKHJSA-N 244.290 2.069 50 50 BEGA CCc1cccc(C)c1NC(=O)NN(C)C 2172076 VLNWDOXJZMOOHL-UHFFFAOYSA-N 221.304 2.156 50 50 BEGA O=C(Cl)c1cccc(Br)n1 34623257 UBJUDOWYGUICSE-UHFFFAOYSA-N 220.453 2.223 50 50 BEGA C[C@H](Cl)[C@H](C)NC(=O)c1ccccc1 5515668 NPCYOUSWNRUZOW-IUCAKERBSA-N 211.692 2.432 50 50 BEGA COc1ccc(C(=O)CBr)c(F)c1 6858424 OKLFPKDKQYVRNJ-UHFFFAOYSA-N 247.063 2.412 50 50 BEGA O=C(CCl)NC[C@@H]1C[C@H]1Cc1ccccc1 1875367760 KRDQJDBNCBAWEA-NEPJUHHUSA-N 237.730 2.220 50 50 BEGA O=C(NC1CCCCC1)C(Cl)Cl 67968 XAEHXXXXLOJOST-UHFFFAOYSA-N 210.104 2.239 50 50 BEGA CC(F)(F)CI 198637221 AQKRYWCLIFTFMY-UHFFFAOYSA-N 205.973 2.077 50 50 BEGA C/C(=N\NC(=O)c1ccco1)c1ccc(N)cc1 4977720 PBCJNNZVLXDHCR-OQLLNIDSSA-N 243.266 2.016 50 50 BEGA O=C(CCl)Nc1cc(Cl)ccc1O 5010977 VTOWGURRHAVIBF-UHFFFAOYSA-N 220.055 2.223 50 50 BEGA in-vitro CC(C)N1C[C@H](CBr)CCC1=O 238184022 KLUMGEZNAICMMU-QMMMGPOBSA-N 234.137 2.028 50 50 BEGA O=C1O[C@@H](CBr)Cc2ccccc21 526056052 JBHRAURIOOCOQL-MRVPVSSYSA-N 241.084 2.163 50 50 BEGA C=C1CC(C(=O)N/N=C/c2ccc(F)cc2)C1 408718463 PMQSNSAVRGSVEE-OVCLIPMQSA-N 232.258 2.242 50 50 BEGA NNC(=O)c1cc2c(Cl)cccc2s1 12336641 RANIZGUMTFCCOC-UHFFFAOYSA-N 226.688 2.158 50 50 BEGA in-vitro CC(C)(CCl)C(=O)N1CC(CC(F)F)C1 1875277731 BINNXJIIZVJLIB-UHFFFAOYSA-N 239.693 2.365 50 50 BEGA O=C(N/N=C/c1ccccc1)c1ccccc1O 59558 MQVYZQJKLKKBNJ-XNTDXEJSSA-N 240.262 2.156 50 50 BEGA COc1cc(C=C(C#N)C#N)cc(OC)c1 102422 YAYKQTPCKRWLAP-UHFFFAOYSA-N 214.224 2.134 50 50 BEGA in-vitro O=C(CBr)c1c[nH]c2ncccc12 36903519 HRNCQDZUEOUQJP-UHFFFAOYSA-N 239.072 2.141 50 50 BEGA O=C(CCl)OC/C=C/c1ccccc1 25628445 ZRCYVESZEBKTTA-QPJJXVBHSA-N 210.660 2.482 50 50 BEGA O=C(Cl)OCCOc1ccccc1 33506240 GQGPDDREGSRIRX-UHFFFAOYSA-N 200.621 2.441 50 50 BEGA in-vitro O=C1OC(=O)c2cc(Cl)c(Cl)cc21 68568642 ULSOWUBMELTORB-UHFFFAOYSA-N 217.007 2.304 50 50 BEGA in-vitro CCC(=O)C(C#N)=C1Nc2ccccc2N1 18023763 BIABKDMZEKETOF-UHFFFAOYSA-N 213.240 2.238 50 50 BEGA BrCC[N+]12CCC(CC1)CC2 2576373 CLBXEYRNTUCNFO-UHFFFAOYSA-N 219.146 2.012 50 50 BEGA in-vitro COc1ccc(CBr)c([N+](=O)[O-])c1 15778745 WZFGFNGYZZHELE-UHFFFAOYSA-N 246.060 2.498 50 50 BEGA C[C@](Cl)(CCl)C(=O)NCc1ccco1 71774038 ICEMDQGCLPYGQA-VIFPVBQESA-N 236.098 2.132 50 50 BEGA CC(C)[Si](OCC(=O)NN)(C(C)C)C(C)C 220422019 ZTLVGWHVXIRGFG-UHFFFAOYSA-N 246.427 2.168 50 50 BEGA O[C@@H]1[C@@H](Cl)[C@H]2C[C@H]1C(F)(F)[C@@]2(F)Cl 239235254 VQTGDXWDCHAADO-RWOPYEJCSA-N 235.032 2.144 50 50 BEGA COc1c(F)c(F)cc(C(=O)Cl)c1F 2582865 JVQSZTJTWSUJCR-UHFFFAOYSA-N 224.565 2.492 50 50 BEGA in-vitro Cc1cc2nc(C(Cl)Cl)nc(C)n2n1 1775977167 WSZMTOOFMDBRBW-UHFFFAOYSA-N 231.086 2.217 50 50 BEGA O=C(N/N=C/c1ccccc1O)[C@H]1CC12CCC2 175447 NHXIKKLIZUDLBR-BTAWCLGRSA-N 244.294 2.033 50 50 BEGA CC(C)COc1c[nH]c(CCl)cc1=O 36261882 QXFLVFHNMLXYEI-UHFFFAOYSA-N 215.680 2.149 50 50 BEGA O=C(O)c1ccc(CCBr)cc1 2566009 BKMRWJWLBHHGCF-UHFFFAOYSA-N 229.073 2.322 50 50 BEGA in-vitro O=C(F)[C@@](F)(Br)C(F)(F)F 4329268 GHRAJKIIZHDCNR-REOHCLBHSA-N 226.926 2.106 50 50 BEGA biogenic CN1/C(=C\C=O)C(C)(C)c2ccccc21 12412607 GCECACVNILMTRD-WQLSENKSSA-N 201.269 2.497 50 50 BEGA in-vitro C[C@@]1(c2cccs2)C[C@@H]1CNC(=O)CCl 1875364650 PJOYNABDVMEZTF-LDYMZIIASA-N 243.759 2.381 50 50 BEGA [N-]=[N+]=NC[C@H]1CCCCN(C(=O)[C@@H](F)Cl)C1 2325878633 WPPPTPAKBQIPPH-HTQZYQBOSA-N 248.689 2.460 50 50 BEGA CC1=NC(C#N)=C(C#N)N[C@@H](c2ccccc2)C1 20246657 GFYHLMBCTFREMN-GFCCVEGCSA-N 236.278 2.441 50 50 BEGA in-vitro Cc1cc(NC(=O)CCl)cc2n[nH]cc12 1875378056 UXILXGFNAGRWJQ-UHFFFAOYSA-N 223.663 2.049 50 50 BEGA C[C@H]1CCc2sccc2/C(=N\NC(N)=O)C1 16677411 JQBOMVUAVBQUTI-JZUFXUFDSA-N 237.328 2.093 50 50 BEGA CC(C)(C)OC(=O)NNC1CCCCC1 34409009 SMESSKMLHMZMQX-UHFFFAOYSA-N 214.309 2.348 50 50 BEGA in-vitro O=C(CCl)Nc1ccc(Cl)c([N+](=O)[O-])c1 2530992 ZIPYLYIONLWUPU-UHFFFAOYSA-N 249.053 2.426 50 50 BEGA in-vitro O=C1OC(=O)[C@@H]2[C@H]3C[C@@H](C4=C3[C@H]3CCC[C@H]4C3)[C@@H]12 104306113 BFPGCZVTXJKJCL-GNLHNYBNSA-N 244.290 2.069 50 50 BEGA CCOC(=O)C(C#N)=Cc1ccc(N(C)C)cc1 1857777470 UWWFWHASAAPOLK-UHFFFAOYSA-N 244.294 2.223 50 50 BEGA Cn1cc2cccc(CBr)c2n1 95629902 LDFCPSPZWUBWAX-UHFFFAOYSA-N 225.089 2.468 50 50 BEGA in-vitro COC(=O)/C(C#N)=C(\Nc1ccccc1)SC 2550057 KHXRZNLMAKMUHE-ZHACJKMWSA-N 248.307 2.370 50 50 BEGA O=C1C[C@H](Sc2ccc(Cl)cc2)C(=O)O1 95691576 HIWKLJYXQYYTRO-QMMMGPOBSA-N 242.683 2.274 50 50 BEGA O=C(N/N=C/c1ccco1)Nc1ccccc1 294535 YRIUZBFPCBYSBJ-UKTHLTGXSA-N 229.239 2.435 50 50 BEGA O=C(Cl)c1nnc(-c2ccccc2)o1 2506150 BNBPFMDHCGJSSB-UHFFFAOYSA-N 208.604 2.116 50 50 BEGA in-vitro O=S(=O)(CCl)Cc1ccc(Cl)cc1 45069293 TXDIHJXLTABILQ-UHFFFAOYSA-N 239.123 2.451 50 50 BEGA CCCCOCCOCCSC#N 1666829 JVGPVVUTUMQJKL-UHFFFAOYSA-N 203.307 2.034 50 50 BEGA biogenic,in-vitro O=C(OCCBr)c1ccccc1 2522831 KNBBDZULQFKSIE-UHFFFAOYSA-N 229.073 2.238 50 50 BEGA in-vitro COC(=O)c1sccc1NC(=O)CCCl 5526354 SXDNZRIBUBUMDY-UHFFFAOYSA-N 247.703 2.102 50 50 BEGA CC1(C)OC(=O)C(C#N)=C1/C=C/c1ccco1 12384061 BNDHUCGIOVKXLU-AATRIKPKSA-N 229.235 2.448 50 50 BEGA Nc1ccc(C(F)(F)F)nc1CCl 263624177 OCHANCNEYMSTHZ-UHFFFAOYSA-N 210.586 2.421 50 50 BEGA C[C@H](Cl)C(=O)N(C)Cc1cc(Cl)cn1C 1875364469 MZUZTJVBZFNCLS-ZETCQYMHSA-N 249.141 2.264 50 50 BEGA C[C@@H]1[C@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 34954468 YXMKLHORHYXDGR-NXEZZACHSA-N 238.294 2.133 50 50 BEGA C[C@H](Cl)C(=O)NC1CC(OC(C)(C)C)C1 1875378131 WEBQMZLHTKOAGC-UEJVZZJDSA-N 233.739 2.076 50 50 BEGA CN(Cc1ccccc1)C(=O)CBr 5965757 XIBVVIAYYYFAAI-UHFFFAOYSA-N 242.116 2.040 50 50 BEGA in-vitro CC1=CC[C@@]23CCCC[C@]2(C1)C(=O)OC3=O 101045886 MIIHEIYLTNDTGU-OLZOCXBDSA-N 220.268 2.357 50 50 BEGA CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)NN 16892496 PYLNEFCRGMTUJK-UTLUCORTSA-N 214.309 2.047 50 50 BEGA O=C(CCl)NC[C@H]1C[C@H]1Cc1ccccc1 1875367763 KRDQJDBNCBAWEA-VXGBXAGGSA-N 237.730 2.220 50 50 BEGA O=C(NCCBr)NC1CCCCC1 1627300 NWTAMLVOXNRJSB-UHFFFAOYSA-N 249.152 2.013 50 50 BEGA COC(=N)CCSSCCC(=N)OC 16189524 MBAXWTVHCRPVFW-UHFFFAOYSA-N 236.362 2.395 50 50 BEGA COC(=O)[C@@H](Br)c1ccc(F)cc1 9664718 ZDQQNZRQRARBNB-QMMMGPOBSA-N 247.063 2.435 50 50 BEGA in-vitro O=C(N/N=C/c1ccccc1F)c1ccco1 12341324 ZHSDRWVSENQIBY-RIYZIHGNSA-N 232.214 2.183 50 50 BEGA CC(C)(C)OC(=O)NCCCCN=C=S 2386884 KWATYFKNNFFFSH-UHFFFAOYSA-N 230.333 2.394 50 50 BEGA C[C@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 34954467 YXMKLHORHYXDGR-UWVGGRQHSA-N 238.294 2.133 50 50 BEGA CO[Si](OC)(OC)C1CCCCC1 169806679 MEWFSXFFGFDHGV-UHFFFAOYSA-N 204.342 2.199 50 50 BEGA in-vitro CC(C)c1n[nH]c2c1[C@@H](C(C)C)C(C#N)=C(N)O2 6507117 UEJXYZXVSLFFPU-VIFPVBQESA-N 246.314 2.359 50 50 BEGA C/C(=N\NC(=O)c1ccco1)c1ccco1 12362552 SOBUKTXLTJVEDH-XYOKQWHBSA-N 218.212 2.027 50 50 BEGA CN(CCCl)CCOCc1ccccc1 96027914 KCAXUWYZPSYEJH-UHFFFAOYSA-N 227.735 2.374 50 50 BEGA CCCC[C@H](Br)C(=O)OC 1589667 YGLPDRIMFIXNBI-LURJTMIESA-N 209.083 2.113 50 50 BEGA biogenic O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1CC[C@H]2C2=C1[C@H]1CC[C@H]2C1 257358775 WIBPCSHWIYSCDB-LAPIUDCISA-N 244.290 2.069 50 50 BEGA O=C(CCl)Nc1ccc2c(c1)CCC2 3136061 XCKKTHZBBNGEAK-UHFFFAOYSA-N 209.676 2.353 50 50 BEGA in-vitro CC1(C)CC(=O)N(CCCCCl)C(=O)C1 61828107 DDYPCSVOVWQYCJ-UHFFFAOYSA-N 231.723 2.181 50 50 BEGA Cc1ccccc1/C=N/NC(=O)c1ccncc1 61611 ARPUWMBIBVQCBF-MHWRWJLKSA-N 239.278 2.154 50 50 BEGA Cc1cc(C(=O)N/N=C/c2ccco2)cs1 2749298 FAODNSSOFVUMDK-WUXMJOGZSA-N 234.280 2.413 50 50 BEGA Cc1cc(C(=O)N/N=C/c2ccc[nH]2)cs1 2749413 NSHVEPFNTLUDHD-AWNIVKPZSA-N 233.296 2.149 50 50 BEGA Cc1cc([N+](=O)[O-])ccc1NC(=O)CCl 3887568 SWSWELOJKQQJGV-UHFFFAOYSA-N 228.635 2.081 50 50 BEGA in-vitro C[S@](=O)CCCCCCN=C=S 45283447 XQZVZULJKVALRI-GFCCVEGCSA-N 205.348 2.028 50 50 BEGA endogenous,in-man O=C(O)CCCCCC(=O)NN=C1CCCC1 95808650 CVYPYYPTFNVREL-UHFFFAOYSA-N 240.303 2.068 50 50 BEGA in-vitro C[C@@H](Cl)C(=O)Nc1ccc2ncn(C)c2c1 1875376420 WNISEJHCAOFYNV-SSDOTTSWSA-N 237.690 2.139 50 50 BEGA CCOC(=O)c1c(C)[nH]c(C(=O)CCl)c1C 81204 GBOIWLVLZHQEEK-UHFFFAOYSA-N 243.690 2.230 50 50 BEGA in-vitro O=[N+]([O-])c1ccc(CBr)o1 120684 CPZOCLCUJQJRBN-UHFFFAOYSA-N 205.995 2.083 50 50 BEGA in-vitro CCOC(=O)NN=Cc1ccc2c(c1)CCC2 25630411 KEXDWMJXGFMCBK-UHFFFAOYSA-N 232.283 2.255 50 50 BEGA CC(C)(C)OC(=O)N1CCC/C(=C/C#N)C1 71257491 SNIXSVYUUCIRRS-POHAHGRESA-N 222.288 2.467 50 50 BEGA in-vitro [N-]=[N+]=NC[C@H]1CCCCN(C(=O)[C@H](F)Cl)C1 2325878635 WPPPTPAKBQIPPH-SFYZADRCSA-N 248.689 2.460 50 50 BEGA Cc1cc(C)c2c(CC(=O)NN(C)C)coc2c1 1057687 YWYQMRUISTXELD-UHFFFAOYSA-N 246.310 2.185 50 50 BEGA Cc1ccc(N(N)C(=O)CC(C)C)cc1 757129215 UNQDNLLPWIFODE-UHFFFAOYSA-N 206.289 2.248 50 50 BEGA COc1cccc2c1CN(C(=O)[C@H](C)Cl)C2 1875366905 WOGWQUHWSUFOAA-QMMMGPOBSA-N 239.702 2.165 50 50 BEGA ClCCCSc1ncnc2[nH]cnc12 4149778 GQRSREIDTVAUEO-UHFFFAOYSA-N 228.708 2.074 50 50 BEGA C/C=C/[C@@H](CC=NNC(N)=O)Cc1ccccc1 263631553 ANDAHEHTUPYFIF-PJGPQRIRSA-N 245.326 2.466 50 50 BEGA CSS(=O)(=O)c1ccc(C)cc1 399118 YSAGJMNZJWNJOL-UHFFFAOYSA-N 202.300 2.047 50 50 BEGA in-vitro CON(C)C(=O)CO[Si](C)(C)C(C)(C)C 195980503 NLLNVUMNDCNCQY-UHFFFAOYSA-N 233.384 2.028 50 50 BEGA C[C@H]1CC(C=O)=CN(C(=O)OC(C)(C)C)C1 1875389803 IZHUBSCXRZIIJC-VIFPVBQESA-N 225.288 2.346 50 50 BEGA CCCC(=O)NNC(=O)c1ccc(C(C)C)cc1 10452144 UCIOXUBBMWELAS-UHFFFAOYSA-N 248.326 2.371 50 50 BEGA Cc1nc(C(C)C)oc1CNC(=O)[C@@H](C)Cl 1875376208 OZBKTWZUBWUVIP-SSDOTTSWSA-N 244.722 2.350 50 50 BEGA Cc1ccc([C@]23C[C@H]2CN(C(=O)CCl)C3)cc1 1875368771 OXTCCWSMFINXPF-GXTWGEPZSA-N 249.741 2.334 50 50 BEGA ClCc1cn(-c2cccnc2Cl)nn1 307361531 HPLAPKYTCOCUSX-UHFFFAOYSA-N 229.070 2.055 50 50 BEGA COc1ccc(C(=O)CBr)cc1F 3882987 GUEJEXCTWVCAGC-UHFFFAOYSA-N 247.063 2.412 50 50 BEGA in-vitro CC(=O)c1cccc(NC(=O)CCl)c1 1438183 HLFQTKCUEGIERF-UHFFFAOYSA-N 211.648 2.067 50 50 BEGA in-vitro CC(C)(C)OC(=O)N1CC[C@H](CCl)C1 66339252 ZCOBWMKNMWVILV-MRVPVSSYSA-N 219.712 2.482 50 50 BEGA in-vitro COc1ccc(C(=O)N/N=C/c2ccco2)cc1 252617 NQBCPRKSJNZSHK-NTEUORMPSA-N 244.250 2.052 50 50 BEGA CC(C)c1ocnc1CNC(=O)[C@H](C)Cl 1875368942 IXAYWJPDAJKXFT-ZETCQYMHSA-N 230.695 2.042 50 50 BEGA O=C=Nc1c(F)c(F)c(F)c(F)c1F 1995285 QXLDBWRLZDBVGF-UHFFFAOYSA-N 209.073 2.349 50 50 BEGA CC(C)(C)c1oc(C(N)=O)cc1CCl 1439926 YFESPYPTUDIGBE-UHFFFAOYSA-N 215.680 2.415 50 50 BEGA in-vitro COc1cc(N=C=S)cc(OC)c1OC 4290257 AFWKAIYTSPWWCA-UHFFFAOYSA-N 225.269 2.447 50 50 BEGA in-vitro C[C@H](Cl)C(=O)NCc1conc1C1CCC1 1875376271 QNJLDMADZGDUFA-ZETCQYMHSA-N 242.706 2.186 50 50 BEGA Nc1ccccc1-c1noc(CCl)n1 12649251 KFBPWVGVJYBSGY-UHFFFAOYSA-N 209.636 2.058 50 50 BEGA in-vitro O=S(=O)(C(Cl)Cl)C1CCCCC1 101037765 AWPAMZIFUUFBEY-UHFFFAOYSA-N 231.144 2.495 50 50 BEGA CSC1=C(C#N)[C@@H](c2ccc(C)o2)CC(=O)N1 349844 COVAGARBJCRTIK-QMMMGPOBSA-N 248.307 2.290 50 50 BEGA CC[C@H](Br)C(=O)C(F)(F)F 8700958 BRWCVQHZTNNLPG-VKHMYHEASA-N 219.000 2.291 50 50 BEGA COC(=O)[C@@H](Cl)c1ccc(F)cc1 50977912 FTLXTMDPQAOBNK-QMMMGPOBSA-N 202.612 2.279 50 50 BEGA in-vitro Nc1ccccc1C(=O)N/N=C/c1cccs1 299276 PDTTUJLZZIMNIE-RIYZIHGNSA-N 245.307 2.094 50 50 BEGA C[C@]1(CCl)CN(Cc2ccccc2)C1=O 950757465 HLBMORWTAOTEJH-LBPRGKRZSA-N 223.703 2.274 50 50 BEGA ClC[C@H]1CN(Cc2ccccc2)CCO1 19855129 GVWRZZNYCOTWNN-LBPRGKRZSA-N 225.719 2.126 50 50 BEGA in-vitro CCOc1ccc(/C=C/C=O)cc1OC 39099414 VXJZAUFOSKBXLD-SNAWJCMRSA-N 206.241 2.306 50 50 BEGA CN(C)C(=O)c1ccccc1CBr 328578339 IGHSRRLIDOEPIC-UHFFFAOYSA-N 242.116 2.283 50 50 BEGA CCOC(=O)CCCCCC(=O)Cl 2567283 NYZNYLOIPHDFKS-UHFFFAOYSA-N 206.669 2.265 50 50 BEGA in-vitro Cc1c(C(=O)Cl)nnn1Cc1ccccc1 8730037 LGFYWQTXJOLVSX-UHFFFAOYSA-N 235.674 2.014 50 50 BEGA COC(=O)[C@H](Br)c1ccc(F)cc1 9664715 ZDQQNZRQRARBNB-MRVPVSSYSA-N 247.063 2.435 50 50 BEGA in-vitro CC#Cc1ccc(C#CC#C[C@@H](O)CCl)s1 13386496 OPRUYGQNFDVQFL-LLVKDONJSA-N 248.734 2.074 50 50 BEGA biogenic ClCc1cn(Cc2cccnc2Cl)nn1 328579733 YSNKOIQMSKCAJM-UHFFFAOYSA-N 243.097 2.114 50 50 BEGA Cc1cc([C@H]2CCCN2C(=O)[C@H](C)Cl)no1 1875364772 TWPIYSGLDHUXEO-WCBMZHEXSA-N 242.706 2.274 50 50 BEGA O=C(Cc1ccccc1)N/N=C/c1cccs1 175556 RAFJTHHORYWJDF-GXDHUFHOSA-N 244.319 2.441 50 50 BEGA O=[N+]([O-])c1ccc(OCCBr)cc1 1670351 YQWCBDNNEZHPMA-UHFFFAOYSA-N 246.060 2.369 50 50 BEGA in-vitro C[C@H]([C@H](Br)C(=O)O)C(F)(F)F 16159816 QTQIBOJDKKPPQG-GBXIJSLDSA-N 234.999 2.033 50 50 BEGA CC1=NC(C#N)=C(C#N)N[C@H](c2ccccc2)C1 20246660 GFYHLMBCTFREMN-LBPRGKRZSA-N 236.278 2.441 50 50 BEGA in-vitro O=S1(=O)C[C@]23CC=CC[C@]2(CC3)[C@@H]1Cl 101042454 PGYMHWHBBBQCOG-BBBLOLIVSA-N 232.732 2.096 50 50 BEGA O=C(CCl)Nc1ccc(Cl)cc1[N+](=O)[O-] 4774922 RBNYKRBIIWPUJW-UHFFFAOYSA-N 249.053 2.426 50 50 BEGA Cc1cc(C(=O)N/N=C/c2ccoc2)cs1 2744046 PLDFJXSYFKQSLN-LFYBBSHMSA-N 234.280 2.413 50 50 BEGA Cc1cccc(N(N)C(=O)C(C)(C)C)c1 757127579 MBOIVFIVOFPBHW-UHFFFAOYSA-N 206.289 2.248 50 50 BEGA CCOC(OCC)[C@@H](C)Br 2521512 AHIUAFXWZKCJLR-ZCFIWIBFSA-N 211.099 2.169 50 50 BEGA Cc1ccc(F)c(NNC(=O)c2cc(C)on2)c1 150784723 LYKISJRGJYNIQK-UHFFFAOYSA-N 249.245 2.187 50 50 BEGA C[C@]1(c2cccs2)C[C@H]1CNC(=O)CCl 1875364649 PJOYNABDVMEZTF-KWQFWETISA-N 243.759 2.381 50 50 BEGA COc1cccc(C=C(C#N)C#N)c1OC 406066 QXIGVGQGZAURFQ-UHFFFAOYSA-N 214.224 2.134 50 50 BEGA O=C(Cc1cccs1)N/N=C/c1ccco1 4737519 REWNIKQBMMPLKI-XYOKQWHBSA-N 234.280 2.034 50 50 BEGA C#CCN(CCCl)Cc1ccccc1 25628657 VVEFJVWXYKGKIS-UHFFFAOYSA-N 207.704 2.361 50 50 BEGA CC(=O)O[C@@H](CCl)c1cccc([N+](=O)[O-])c1 160391 DSOBLSCXRVDNSL-JTQLQIEISA-N 243.646 2.438 50 50 BEGA O=C(CCCCCCCCC(=O)OO)OO 100969369 UNWDCFHEVIWFCW-UHFFFAOYSA-N 234.248 2.140 50 50 BEGA Cc1ccc(S(=O)(=O)CCCCl)cc1 1682314 BCAIESQCUZLERY-UHFFFAOYSA-N 232.732 2.398 50 50 BEGA CC(C)c1ccc([C@H]2CC(=O)OC2=O)cc1 101477438 QSHDPBIZBSOQPQ-LLVKDONJSA-N 218.252 2.367 50 50 BEGA CCc1cnccc1[C@H](C)NC(=O)[C@@H](F)Cl 2325897924 MTEPZNWHHYQINL-OIBJUYFYSA-N 244.697 2.356 50 50 BEGA O=C(NCCc1ccccc1)C(Cl)Cl 299713 NXDSITABWUNLCU-UHFFFAOYSA-N 232.110 2.149 50 50 BEGA CC(C)Oc1ccccc1/C=N/NC(=O)C1CC1 371627 IDZFLUZMYXTLOL-OQLLNIDSSA-N 246.310 2.334 50 50 BEGA O=[N+]([O-])c1ccc(/N=C/CCl)c([N+](=O)[O-])c1 4760456 VZMUQAOPWWLNBP-ONNFQVAWSA-N 243.606 2.444 50 50 BEGA O=C(CCl)N[C@H]1CCCc2ccccc21 4487620 SLQUITRGZWAZBX-NSHDSACASA-N 223.703 2.419 50 50 BEGA Cc1cc([C@@H]2CCCN2C(=O)[C@@H](C)Cl)no1 1875364771 TWPIYSGLDHUXEO-SCZZXKLOSA-N 242.706 2.274 50 50 BEGA O=C1c2ccccc2C[C@H]1Br 159089 UXVCSPSWUNMPMT-MRVPVSSYSA-N 211.058 2.189 50 50 BEGA C[C@H](Cl)C(=O)c1ccc(CC(=O)O)cc1 4521327 SYKQUPRADSJCQY-ZETCQYMHSA-N 226.659 2.124 50 50 BEGA O=C(Cl)c1ccc(C(F)(F)F)nc1 1529153 DDIXMUVENCORLG-UHFFFAOYSA-N 209.554 2.479 50 50 BEGA in-vitro O=C(NNc1ccccc1)[C@@H]1CCCCS1 272922655 KBCJYZVIGNQXPU-NSHDSACASA-N 236.340 2.415 50 50 BEGA O=C1Nc2ccccc2[C@H]1Br 3172546 KQNMNQHOKUHSJP-SSDOTTSWSA-N 212.046 2.075 50 50 BEGA CC[C@@H](Br)C(=O)N1CCCCC1 32919665 DVMIWCRMTVHZHT-MRVPVSSYSA-N 234.137 2.172 50 50 BEGA NNC(=O)c1ccc(-c2ccccc2)s1 71766860 DFSGOOCLCFABLR-UHFFFAOYSA-N 218.281 2.019 50 50 BEGA CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)NN)cc1 2743112 XWQNNQGLRZLURU-VXGBXAGGSA-N 232.327 2.078 50 50 BEGA CCCCCC(=O)NNC(=O)c1cccc(C)c1 2754166 KTSIRVMFMXXKHV-UHFFFAOYSA-N 248.326 2.336 50 50 BEGA CCOC(=O)/C(C#N)=C\c1ccc(OC)cc1 4582629 KJKGDEVERRGVFA-FLIBITNWSA-N 231.251 2.165 50 50 BEGA CC#CCN(C(=O)CCl)C1CCCC1 1875364072 HUMNBAYZPDHICN-UHFFFAOYSA-N 213.708 2.020 50 50 BEGA COc1ccc(CN=C=S)cc1OC 2528114 MTKPIGBIMQONMN-UHFFFAOYSA-N 209.270 2.307 50 50 BEGA biogenic,in-vitro O=C(CCl)NC[C@]12CCCC[C@@H]1C2(F)F 1875377689 KXXXGBOYQWMATE-IONNQARKSA-N 237.677 2.167 50 50 BEGA COCOC/C(C)=C/CCBr 35874622 YRRFRPOJAWLBBC-XBXARRHUSA-N 223.110 2.338 50 50 BEGA O=C(CBr)Nc1ccc(F)cc1 5863462 JXUWYCOGYOQUST-UHFFFAOYSA-N 232.052 2.159 50 50 BEGA CC(C)(C)OC(=O)NNC(=N)Cc1ccccc1 1649372 OFHSGIRZKLLPRM-UHFFFAOYSA-N 249.314 2.236 50 50 BEGA O=C(CCl)NC1C2CC3CC(C2)CC1C3 1731858 IPWVZXFHPBHQRD-UHFFFAOYSA-N 227.735 2.166 50 50 BEGA in-vitro Cc1scc(C(=O)NN)c1-c1ccccc1 2559452 KGAMHXSRDCLOAM-UHFFFAOYSA-N 232.308 2.327 50 50 BEGA N#CCOc1ccc(CBr)cc1 36894662 OPXUFAFXIWROQU-UHFFFAOYSA-N 226.073 2.484 50 50 BEGA in-vitro C[C@@]1(CNC(=O)CCl)CCOC2(CCC2)C1 1353362007 TUUMUWOSQGNEES-LLVKDONJSA-N 245.750 2.081 50 50 BEGA Cc1ccsc1/C=N/NC(=O)c1cccnc1 73421 SBCAAOSEXRZFNR-RIYZIHGNSA-N 245.307 2.215 50 50 BEGA CC[C@@H](Br)C(=O)N1CCC[C@H](C)C1 32919732 HFLVSAVEBWENNL-DTWKUNHWSA-N 248.164 2.418 50 50 BEGA in-vitro C#CCCC1(CCI)N=N1 498047872 XKVWLCIADFSFAP-UHFFFAOYSA-N 248.067 2.387 50 50 BEGA in-vitro COc1cccc(-c2nc(CCl)no2)c1 12359622 GSWMZQIUADKXLN-UHFFFAOYSA-N 224.647 2.484 50 50 BEGA in-vitro COC(=O)/C(C#N)=C/c1ccccc1Cl 99817 MBUUIEJTXSMODJ-RMKNXTFCSA-N 221.643 2.420 50 50 BEGA in-vitro CCc1cc2c(=O)[nH]c(CCCl)nc2s1 337993 GLKHKEITPRAJQC-UHFFFAOYSA-N 242.731 2.328 50 50 BEGA C[C@H](Cl)[C@@H](C)NC(=O)c1ccccc1 5532719 NPCYOUSWNRUZOW-DTWKUNHWSA-N 211.692 2.432 50 50 BEGA CC(CBr)CBr 100042213 SMGXHVWYXQYMNN-UHFFFAOYSA-N 215.916 2.412 50 50 BEGA in-vitro ICc1cccnc1 2379647 UGLQALFLQMRSEC-UHFFFAOYSA-N 219.025 2.017 50 50 BEGA CCOC(OCC)[C@H](C)Br 5858606 AHIUAFXWZKCJLR-LURJTMIESA-N 211.099 2.169 50 50 BEGA O=C(CCl)N[C@H](C1CCC1)C(F)(F)F 1875375025 ONKNWWYKOMLCGU-SSDOTTSWSA-N 229.629 2.072 50 50 BEGA O=C(N/N=C/c1ccncc1)C1CCCCC1 439161 VICCLIICLWTHCQ-XNTDXEJSSA-N 231.299 2.112 50 50 BEGA O=C(CCl)c1c(F)cc(F)cc1[N+](=O)[O-] 263623269 GBMJTJIFYNUISX-UHFFFAOYSA-N 235.573 2.295 50 50 BEGA C/C(=N\NC(=O)[C@H]1CC12CCC2)c1ccco1 4950180 RSYBPARQDOTUQB-GMROUXNLSA-N 232.283 2.310 50 50 BEGA O=C(CCl)N[C@H]1C[C@H](c2ccccc2)C1 1875375911 UTAQWVJAZCIGBZ-XYPYZODXSA-N 223.703 2.288 50 50 BEGA C[C@H](Cl)C(=O)N1Cc2cccn2[C@@H](C)C1 1875376367 UQGHWYBMOLFVJL-IUCAKERBSA-N 226.707 2.019 50 50 BEGA CC(C)(C)OC(=O)NCCCBr 2583590 IOKGWQZQCNXXLD-UHFFFAOYSA-N 238.125 2.296 50 50 BEGA NC(=O)N/N=C1\CCCC[C@H]1c1ccccc1 13549299 BBIHIZCFMJJKBA-NUFCYMDASA-N 231.299 2.369 50 50 BEGA O=C(NN=Cc1ccccc1O)c1cccs1 254393115 PXDXCRHRUMIWQS-UHFFFAOYSA-N 246.291 2.218 50 50 BEGA CC(C)(C)OC(=O)N1CCC[C@@]1(C=O)CCl 307556046 YRDXQXFXYHBHKY-NSHDSACASA-N 247.722 2.194 50 50 BEGA O=C(NCCCl)Nc1cc(F)cc(F)c1 1187590321 FRCKXHFYHLHLSZ-UHFFFAOYSA-N 234.633 2.325 50 50 BEGA C[C@H](Cl)C(=O)N1CCCCc2ncccc21 1875366823 HLCWCQQSMPIWOP-VIFPVBQESA-N 238.718 2.378 50 50 BEGA Cc1nc(-c2ccc(C(=O)Cl)cc2)no1 4277354 SMBDBBBBXFXBSK-UHFFFAOYSA-N 222.631 2.424 50 50 BEGA in-vitro O=C(CCl)NC[C@@]12CCCC[C@H]1C2(F)F 1875377687 KXXXGBOYQWMATE-APPZFPTMSA-N 237.677 2.167 50 50 BEGA BrCCCO[C@H]1CCCCO1 2169548 HJNHUFQGDJLQRS-QMMMGPOBSA-N 223.110 2.315 50 50 BEGA in-vitro CC(=O)OCCCCCBr 2579109 JIHJLQWUVZUKCH-UHFFFAOYSA-N 209.083 2.115 50 50 BEGA in-vitro CC(C)(C)c1cc(NC(=O)CCl)on1 4206437 MLGBUUNDROWYJV-UHFFFAOYSA-N 216.668 2.149 50 50 BEGA in-vitro C[C@H](NC(=O)c1ccccc1)[C@@H](C)Cl 5515651 NPCYOUSWNRUZOW-BDAKNGLRSA-N 211.692 2.432 50 50 BEGA CCc1cnc(NC(=O)C(Cl)Cl)s1 330665 UPSSQVHWBKRBHJ-UHFFFAOYSA-N 239.127 2.448 50 50 BEGA Cc1nnc(NC(C)(C)CCl)s1 369811 XYMPMULTGOHMOC-UHFFFAOYSA-N 205.714 2.276 50 50 BEGA CC(=O)O[C@H](C(=O)Cl)c1ccccc1 1646383 BERNQQVIUAZUHY-VIFPVBQESA-N 212.632 2.056 50 50 BEGA biogenic,in-vitro CC(C)C[C@@H]1C[C@@H](NC(=O)[C@H](C)Cl)CCO1 1875378068 VGOJCMFYHNEYQD-GARJFASQSA-N 247.766 2.324 50 50 BEGA O=C(CBr)c1ccc(F)cc1 152861 ZJFWCELATJMDNO-UHFFFAOYSA-N 217.037 2.403 50 50 BEGA in-vitro O=C(Nc1ccc2c(c1)OCO2)C(Cl)Cl 458161 DSRNPURXMVFBKC-UHFFFAOYSA-N 248.065 2.158 50 50 BEGA O[C@H](CCl)CSc1ccccc1 38235406 MJMJXSXVAGXQRF-MRVPVSSYSA-N 202.706 2.378 50 50 BEGA CCOC(=O)C(C#N)=Cc1cccc(C#N)c1 1857777538 IUQFOTOMLHSZIN-UHFFFAOYSA-N 226.235 2.028 50 50 BEGA COc1noc(C2CC2)c1NC(=O)[C@@H](F)Cl 2325898525 JBDMLKTXKHLIGQ-SSDOTTSWSA-N 248.641 2.034 50 50 BEGA COc1ccc(-c2ccc(C(=O)NN)s2)cc1 3883621 RQNCKVGCHJREPC-UHFFFAOYSA-N 248.307 2.027 50 50 BEGA COC(=O)c1cc(CBr)cs1 15442935 KNBMDMSLFAPOSE-UHFFFAOYSA-N 235.102 2.430 50 50 BEGA Cc1sc(NC(=O)CCl)c(C#N)c1C 2391990 FIXRIQLWMBHSRM-UHFFFAOYSA-N 228.704 2.414 50 50 BEGA in-vitro O=C(NNc1cccc(F)n1)Nc1ccccc1 1391055 FSOKNVVPLSGLBY-UHFFFAOYSA-N 246.245 2.369 50 50 BEGA C[C@H](Cl)C(=O)N[C@@H]1CC[C@@]2(C1)CC2(F)F 1875369172 XKYDCOAVAQTEJN-LKEWCRSYSA-N 237.677 2.308 50 50 BEGA CC(C)(C)OOC(=O)c1ccc([N+](=O)[O-])cc1 1755552 QWTWJIZWUSGKIS-UHFFFAOYSA-N 239.227 2.482 50 50 BEGA O=C1OC(=O)[C@@H]2[C@H]3C[C@@H](C[C@@H]3c3ccccc3)[C@H]12 253495781 QVZKCYULUXLGPJ-NAWOPXAZSA-N 242.274 2.126 50 50 BEGA C[C@@H](Cl)C(=O)NCc1conc1C1CCC1 1875376270 QNJLDMADZGDUFA-SSDOTTSWSA-N 242.706 2.186 50 50 BEGA O=C(CCBr)Nc1ccccc1 1638408 LPVAUTDBCYXZCP-UHFFFAOYSA-N 228.089 2.410 50 50 BEGA CCC[C@H](Br)C(=O)OCC 1648282 ORSIRXYHFPHWTN-LURJTMIESA-N 209.083 2.113 50 50 BEGA in-vitro O=C(Cl)c1ccc2c(c1)OC(F)(F)O2 2382133 TWAYOQDEKAESKD-UHFFFAOYSA-N 220.558 2.387 50 50 BEGA in-vitro C/C(=N\NC(=O)c1cccs1)c1cccnc1 12362553 RPZWZSYMWZPNOM-NTEUORMPSA-N 245.307 2.297 50 50 BEGA O[C@H](CCl)C/N=C/c1ccc(Cl)cc1 118503287 LFVZLCKHDSVJFP-KUKWCLJQSA-N 232.110 2.359 50 50 BEGA N#C/C(=C\c1cc(Cl)ccc1Cl)C(N)=O 490753586 LJIYUMXRFHVMPH-XVNBXDOJSA-N 241.077 2.386 50 50 BEGA COC(=O)c1cc(C)sc1NC(=O)CCl 2569090 CXSHGGRFIUOIMM-UHFFFAOYSA-N 247.703 2.020 50 50 BEGA C[C@@H]1Cc2ccc(F)cc2[C@@H]1NC(=O)CCl 1875364178 IOIQRHVZIILYNW-JMCQJSRRSA-N 241.693 2.414 50 50 BEGA Cc1ccc([N+](=O)[O-])cc1NC(=O)CCl 559382 YXLQFQSJHDHMLY-UHFFFAOYSA-N 228.635 2.081 50 50 BEGA in-vitro CNC[C@@H](Cl)c1ccc(OC(C)=O)cc1 33979687 VZCQEZNQVVYTJC-LLVKDONJSA-N 227.691 2.111 50 50 BEGA in-vitro CC1(C)[C@H]2CC[C@@]1(C(=O)Cl)C(=O)C2 101049403 SFQJZTMMKIFIGJ-WKEGUHRASA-N 200.665 2.147 50 50 BEGA O=C(NNC1CCCCC1)C1=CCCC1 2325797726 OKWJGXFENBUKRG-UHFFFAOYSA-N 208.305 2.050 50 50 BEGA N#C[C@H](O)c1ccccc1Br 100911640 BJJDHOPCQJHYQH-QMMMGPOBSA-N 212.046 2.006 50 50 BEGA CCO[Si](CCCC#N)(OCC)OCC 169746889 VGIURMCNTDVGJM-UHFFFAOYSA-N 231.368 2.339 50 50 BEGA COc1cc(N=C=O)ccc1OC(F)F 12505815 NHXDGXYIGDQVDH-UHFFFAOYSA-N 215.155 2.264 50 50 BEGA COc1ccc(OC)c(C=C(C#N)C#N)c1 97264 SHAPCXXRYMVHIF-UHFFFAOYSA-N 214.224 2.134 50 50 BEGA in-vitro O=C(N/N=C/c1ccc(O)cc1)C1CCCCC1 370585 AQSXMGMLRYQJLS-XNTDXEJSSA-N 246.310 2.423 50 50 BEGA ClCCN(CCCl)CCCl 38139367 FDAYLTPAFBGXAB-UHFFFAOYSA-N 204.528 2.005 50 50 BEGA world N#C[C@H](Cl)[C@@H](C#N)c1ccc([N+](=O)[O-])cc1 3123685 JUHQMTGBAXRGBT-UWVGGRQHSA-N 235.630 2.333 50 50 BEGA CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)CCl 1341523773 ISYYLDMVCAOIGV-UWVGGRQHSA-N 247.766 2.277 50 50 BEGA C[C@@H]1CCc2nc(NC(=O)CCl)sc2C1 4454338 AJCKEQISKDYDRN-ZCFIWIBFSA-N 244.747 2.445 50 50 BEGA in-vitro CSc1ncc(C(=O)Cl)c(Cl)n1 79387372 NMFCRGDGVPCDHH-UHFFFAOYSA-N 223.084 2.231 50 50 BEGA in-vitro O=S1(=O)C[C@]23CCCC[C@]2(CC3)[C@@H]1Cl 101043357 BJJXKSWXELLVLY-BBBLOLIVSA-N 234.748 2.320 50 50 BEGA N#Cc1ccc(NCCCBr)cn1 757131859 ADVPLKCZTRDOGQ-UHFFFAOYSA-N 240.104 2.150 50 50 BEGA O=C(N/N=C/[C@H]1C[C@H]2C=C[C@H]1C2)c1ccncc1 100435115 VUCKSEXZWPSNKP-UEUZIPNWSA-N 241.294 2.009 50 50 BEGA Fc1ccc(CNC(=S)Cl)cc1 1775953665 UHNMICOHVLMYTM-UHFFFAOYSA-N 203.669 2.439 50 50 BEGA O=C(O)c1ccc(CBr)cc1 35771 CQQSQBRPAJSTFB-UHFFFAOYSA-N 215.046 2.280 50 50 BEGA biogenic,in-vitro O=S1(=O)C[C@]23CC=CC[C@]2(CCC3)[C@H]1Cl 230115232 UOJKVQLSIHFTMP-AXFHLTTASA-N 246.759 2.486 50 50 BEGA CCOc1ccc(/C=C(/C#N)C(=O)O)cc1 12504655 MYBMSWJVQCPVJH-YFHOEESVSA-N 217.224 2.077 50 50 BEGA in-vitro Cc1cc(F)ccc1NC(=O)CBr 70159720 YKEYVYAJKGROJU-UHFFFAOYSA-N 246.079 2.468 50 50 BEGA C/C(=N\NC(=O)NCC1CC1)c1ccc(C)o1 222046496 CQZUNAPCLKYOGI-NTEUORMPSA-N 235.287 2.021 50 50 BEGA CC(C)(C)C(=O)N(N)c1ccc(F)cc1 757125934 CHBQKTSLTYCJBT-UHFFFAOYSA-N 210.252 2.079 50 50 BEGA CCCC[C@@H](Br)C(=O)OC 2046229 YGLPDRIMFIXNBI-ZCFIWIBFSA-N 209.083 2.113 50 50 BEGA biogenic N#C[C@@H](Cl)[C@H](C#N)c1ccc([N+](=O)[O-])cc1 3123682 JUHQMTGBAXRGBT-NXEZZACHSA-N 235.630 2.333 50 50 BEGA CNC(=O)N/N=C(\C)[C@@H]1C[C@@H]1c1ccccc1 222155402 IELSGKKIRACVBS-FIZWVAMCSA-N 231.299 2.095 50 50 BEGA COc1ccc(CCl)cc1C(=O)O 1722551 LXSPNZGYCRQFSD-UHFFFAOYSA-N 200.621 2.132 50 50 BEGA COc1ccc(C(=O)CCCl)cc1O 238345686 OXIQIZOUBCPIQX-UHFFFAOYSA-N 214.648 2.212 50 50 BEGA FC[C@@H](Br)CBr 95682162 UWOIAAKWSKTDDO-VKHMYHEASA-N 219.879 2.114 50 50 BEGA NN(CC1CCC1)C(=O)OC1CCCC1 757131103 CHUKJRARXVRIKA-UHFFFAOYSA-N 212.293 2.041 50 50 BEGA O=C(CCl)N1C[C@@H]2CCC[C@@H]2C12CC2 1875370087 BGIBSHVTWPDWRY-IUCAKERBSA-N 213.708 2.016 50 50 BEGA C[C@@H](Cl)C(=O)N[C@@H]1CC(C)(C)OC1(C)C 1875377502 FZGSJQKMBJYFHK-HTQZYQBOSA-N 233.739 2.076 50 50 BEGA NNC(=O)c1ccccc1Oc1ccccc1 2566097 PIMAJOVNMMNVCZ-UHFFFAOYSA-N 228.251 2.082 50 50 BEGA in-vitro COC(=O)/C(C#N)=C\c1c[nH]c2ccccc12 4577755 JRKWEDQGUNBTEE-TWGQIWQCSA-N 226.235 2.248 50 50 BEGA O=C(CCCl)Nc1cccc(F)c1 5568825 NXEZFWIYWQILFE-UHFFFAOYSA-N 201.628 2.393 50 50 BEGA in-vitro C[C@@H](Cl)C(=O)N1CCCCc2ncccc21 1875366822 HLCWCQQSMPIWOP-SECBINFHSA-N 238.718 2.378 50 50 BEGA COc1ccc(CBr)cc1[N+](=O)[O-] 2513815 WRNURTUGHOTMMX-UHFFFAOYSA-N 246.060 2.498 50 50 BEGA in-vitro COC(=O)/C(C#N)=C\c1sccc1C 301499 IRHGJQJMVSTMMC-YVMONPNESA-N 207.254 2.137 50 50 BEGA OB(O)c1cccc(-c2ccc3ccccc3c2)c1 169745410 WLKQDOGZCIYEOM-UHFFFAOYSA-N 248.090 2.187 50 50 BEGA in-vitro O=C=Nc1cc(Br)cnc1Cl 725331285 JNIMSFNUGUDRDC-UHFFFAOYSA-N 233.452 2.465 50 50 BEGA [C-]#[N+][C@H](C)S(=O)(=O)c1ccc(C)cc1 100004258 NGOUPILQFWOEET-VIFPVBQESA-N 209.270 2.034 50 50 BEGA in-vitro COc1ccc(/C=N/NC(=O)c2ccco2)cc1 301294 ADYPKROBDYAJKS-NTEUORMPSA-N 244.250 2.052 50 50 BEGA Cc1nn(CCCl)cc1Br 19093907 URDUWHKZXWHRRS-UHFFFAOYSA-N 223.501 2.193 50 50 BEGA in-vitro Cc1cc(C)c(CNC(=O)CCl)c(C)c1 6418509 LYQDCEVJMLABIX-UHFFFAOYSA-N 225.719 2.467 50 50 BEGA Cc1ccc(O[C@@H](C)C(=O)Cl)c([N+](=O)[O-])c1 40451338 LXOJOTMFPMSXRJ-ZETCQYMHSA-N 243.646 2.436 50 50 BEGA CC(C)C[C@H](CN=C=S)CC(=O)O 757188899 QBPHONKBULNNKD-QMMMGPOBSA-N 201.291 2.226 50 50 BEGA O=C(CCl)CC(=O)Nc1ccccc1Cl 2149437 OMZUSMXJSPFYOY-UHFFFAOYSA-N 246.093 2.477 50 50 BEGA O=C(Cl)c1cc(F)cc([N+](=O)[O-])c1 43463390 NZWQAXAXUUUVTE-UHFFFAOYSA-N 203.556 2.113 50 50 BEGA CN(C(=O)C(Cl)Cl)c1ccc(O)cc1 1299 GZZZSOOGQLOEOB-UHFFFAOYSA-N 234.082 2.159 50 50 BEGA world C[C@@H]1C/C(=N/NC(=O)CC#N)CC(C)(C)C1 4761840 JLMSDPVQDAXGPX-OLULMYBYSA-N 221.304 2.218 50 50 BEGA O=C(Cl)c1ccc(F)cc1[N+](=O)[O-] 67800086 NQMGZEFEQXWOAT-UHFFFAOYSA-N 203.556 2.113 50 50 BEGA in-vitro O=C(N/N=C/c1ccc[nH]1)Nc1ccccc1 275381 NWTYISUZWFHEEV-NTEUORMPSA-N 228.255 2.170 50 50 BEGA CCOC(=O)c1csc(CCl)n1 5066228 JFAHIGKQDWEJJP-UHFFFAOYSA-N 205.666 2.059 50 50 BEGA in-vitro C=CCN1C=CC=C/C1=C\C=C(/C#N)C(=O)OC 5669488 ZPTBEOZVBHFRQK-INOXDZRUSA-N 242.278 2.065 50 50 BEGA Cc1c(Br)cnn1CCCl 19093905 KJCYVWIWEBDDBA-UHFFFAOYSA-N 223.501 2.193 50 50 BEGA in-vitro O=C(CCl)OC/C=C\c1ccccc1 4567047 ZRCYVESZEBKTTA-DAXSKMNVSA-N 210.660 2.482 50 50 BEGA C[C@@H](Br)CNC(=O)OC(C)(C)C 34301670 KHFDEFLMWSUKAS-ZCFIWIBFSA-N 238.125 2.295 50 50 BEGA COc1ccc(OCC#CCSC#N)cc1 4978769 SMRWADGQNPESGA-UHFFFAOYSA-N 233.292 2.292 50 50 BEGA O=[S@@](O)c1ccc(CBr)cc1 203537606 MRZPLOLZBZITSO-UHFFFAOYSA-N 235.102 2.162 50 50 BEGA CC1(C)C[C@](C#N)(O[Si](C)(C)C)CO1 306145183 CTOICSDMPKHMBI-SNVBAGLBSA-N 213.353 2.299 50 50 BEGA CC1(C)C/C(=N\NC(N)=O)[C@@]2(C)CC=C[C@@H]12 43761577 BAOFQKFUDFAMNB-CDEWQRMJSA-N 221.304 2.023 50 50 BEGA NNC(=O)c1sc2cc(F)ccc2c1Cl 64747 SMWWKYQXDCAXQJ-UHFFFAOYSA-N 244.678 2.297 50 50 BEGA in-vitro O=C(Cl)N1CCC(N2CCCCC2)CC1 16123558 YDNSNQRKIINKPV-UHFFFAOYSA-N 230.739 2.296 50 50 BEGA in-vitro FC[C@H](Br)CBr 2576915 UWOIAAKWSKTDDO-GSVOUGTGSA-N 219.879 2.114 50 50 BEGA CC1(C)C[C@H](N=C=O)C[C@@](C)(CN=C=O)C1 2597097 NIMLQBUJDJZYEJ-CMPLNLGQSA-N 222.288 2.243 50 50 BEGA in-vitro OB(O)c1ccccc1-c1ccc2ccccc2c1 169745303 UKGHMNPNPCSUIG-UHFFFAOYSA-N 248.090 2.187 50 50 BEGA Fc1ccc(CN2CCSSCC2)nc1 1615541257 NRZPKEKZRDGXGC-UHFFFAOYSA-N 244.360 2.418 50 50 BEGA N#C/C(=C\c1ccc(-c2ccccc2)o1)C(N)=O 134343 TZMNZJHTWBMJAV-DHZHZOJOSA-N 238.246 2.339 50 50 BEGA ClC[C@@H]1CN(Cc2ccccc2)CCO1 19855127 GVWRZZNYCOTWNN-GFCCVEGCSA-N 225.719 2.126 50 50 BEGA in-vitro c1cnc(SSc2cnccn2)cn1 5521933 GBQYJGUYRJBIRI-UHFFFAOYSA-N 222.298 2.066 50 50 BEGA Cn1ncc2cc(CBr)ccc21 30677759 GETXVJDRZHCMDS-UHFFFAOYSA-N 225.089 2.468 50 50 BEGA in-vitro Oc1ccc(F)cc1CBr 166033965 AOLLFASZWUGJBG-UHFFFAOYSA-N 205.026 2.426 50 50 BEGA C[C@H](Cl)C(=O)NCC1=CCCCC1 307247208 ZPFWJMMZODXPGY-QMMMGPOBSA-N 201.697 2.230 50 50 BEGA CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)NN)cc1 2743113 XWQNNQGLRZLURU-NWDGAFQWSA-N 232.327 2.078 50 50 BEGA COc1ccccc1NC(=O)OCCCl 2171358 SCIHPKPHSBPEMB-UHFFFAOYSA-N 229.663 2.483 50 50 BEGA N#CC1=C(S)NC(=O)C[C@@H]1c1cccs1 289339 GRIHEGXLYFTJPU-LURJTMIESA-N 236.321 2.017 50 50 BEGA CCCN(CCC)C(=O)[C@H](C)Br 1706709 GLOMSEVXSMRTPG-QMMMGPOBSA-N 236.153 2.418 50 50 BEGA CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)NN)cc1 2743114 XWQNNQGLRZLURU-NEPJUHHUSA-N 232.327 2.078 50 50 BEGA O=C(CCl)NC12CC3CC(CC(C3)C1)C2 818900 PJRVXDKETNCCKR-UHFFFAOYSA-N 227.735 2.310 50 50 BEGA in-vitro O=C=Nc1ccc(I)cc1 2560445 KVMKUTIUJGYHBA-UHFFFAOYSA-N 245.019 2.259 50 50 BEGA in-vitro O=C(CCl)NC1(Cc2ccccc2)CC1 1875378029 UJGXSNZGBPWUOG-UHFFFAOYSA-N 223.703 2.117 50 50 BEGA O=[N+]([O-])c1ccc([C@@H](CCl)[N+](=O)[O-])cc1 3122172 QLRQGWANEKYFMZ-MRVPVSSYSA-N 230.607 2.151 50 50 BEGA CC[C@@](C)(/C=N/NC(N)=O)c1ccccc1 3137088 OOHSBCHKDYCRMX-IGVUGNCQSA-N 219.288 2.008 50 50 BEGA CCOC(=O)/C(C#N)=C\c1cc(C)c(C)o1 5324663 YTIPGTRYXFKOEQ-POHAHGRESA-N 219.240 2.367 50 50 BEGA C/C(=N\NC(=O)c1ccco1)c1ccccc1O 13940810 UTLLNYWFFQRPPJ-NTEUORMPSA-N 244.250 2.139 50 50 BEGA Cc1ccccc1Nc1nc(N)nc(CCl)n1 18037935 XUKNUJFKXDHIKN-UHFFFAOYSA-N 249.705 2.245 50 50 BEGA COc1ccc(O[C@@H](C)C(=O)Cl)cc1 6249333 IOMGKYYTJICTNN-ZETCQYMHSA-N 214.648 2.228 50 50 BEGA CCCCNC(=O)Oc1cc(CCl)on1 4106390 DCBQDLAUEONCMZ-UHFFFAOYSA-N 232.667 2.302 50 50 BEGA ClCc1cn2nc(Cl)ccc2n1 12370870 YMOUUAKORLOHCD-UHFFFAOYSA-N 202.044 2.122 50 50 BEGA in-vitro O=C(Cl)c1c(F)cc(F)cc1[N+](=O)[O-] 263623936 LYTHGXKGHYPUNG-UHFFFAOYSA-N 221.546 2.252 50 50 BEGA O=C[C@@H]1SC(=O)N(c2ccccc2)[C@@H]1Cl 3122864 NHXLXWICYIHKMZ-IUCAKERBSA-N 241.699 2.492 50 50 BEGA O=C(CCCl)NCc1ccccc1F 13322627 JTGWKGYKJXYCDY-UHFFFAOYSA-N 215.655 2.071 50 50 BEGA in-vitro COc1ccc(N=C=S)cc1[N+](=O)[O-] 40571420 ZOLOGBILGRDVSU-UHFFFAOYSA-N 210.214 2.338 50 50 BEGA CC(C)COC(=O)N(N)c1ccc(F)cc1 757128992 SFCLCBCGVQZLDL-UHFFFAOYSA-N 226.251 2.298 50 50 BEGA CN(Cc1ccccc1)C(=O)CCCl 6178275 JAWIMEZRQVNCAC-UHFFFAOYSA-N 211.692 2.274 50 50 BEGA in-vitro CC(C)(C)OC(=O)N/N=C/c1ccoc1 1403589 WGKOWOFNGIUJBJ-IZZDOVSWSA-N 210.233 2.138 50 50 BEGA C[C@H](Br)C(=O)NCc1cccs1 32919967 WQAIZKVMDOWXJF-LURJTMIESA-N 248.145 2.148 50 50 BEGA C[C@H](CCN=C=O)CC(C)(C)CN=C=O 1850592 ATOUXIOKEJWULN-SNVBAGLBSA-N 210.277 2.101 50 50 BEGA in-vitro C[C@@H](Cl)C(=O)Nc1ccccc1[N+](=O)[O-] 3887362 RUGNNTYZTSTHKK-ZCFIWIBFSA-N 228.635 2.161 50 50 BEGA in-vitro NC(=O)N/N=C1/CCCC/C1=C\c1ccco1 83318425 DVJUJZLSGCEUHE-LSHJULRISA-N 233.271 2.261 50 50 BEGA O=C1C[C@]23CC=CC[C@@]2(CCCC3)C(=O)O1 101050175 ZMCYGHLKWXDTLW-CHWSQXEVSA-N 220.268 2.357 50 50 BEGA Cc1noc(C)c1CN(C(=O)CCl)C1CC1 1875375294 XTMWANFWRHHDSE-UHFFFAOYSA-N 242.706 2.021 50 50 BEGA COC(=O)c1ccc(NC(=O)CCCl)cc1 3162440 ZGEJOSXYYOIJQQ-UHFFFAOYSA-N 241.674 2.041 50 50 BEGA in-vitro CC1(C)OB(/C=C/CCl)OC1(C)C 169904199 HLBDNUSUVDDICF-AATRIKPKSA-N 202.490 2.413 50 50 BEGA in-vitro Cc1nc(-c2nc(O)cc(CCl)n2)cs1 238538040 WXRDESODAHWMLK-UHFFFAOYSA-N 241.703 2.353 50 50 BEGA C/C(CC(C)(C)c1ccccc1)=N\NC(N)=O 4991647 XCTYSGLBGPEWLV-XNTDXEJSSA-N 233.315 2.399 50 50 BEGA O=C1CC23CC=CCC2(CC=CC3)C(=O)O1 101050167 ROYPUXUCXPBCRY-UHFFFAOYSA-N 218.252 2.133 50 50 BEGA CCOC(=O)/C(C#N)=C/c1ccccc1F 370651 HAYFYQCUACVOEL-JXMROGBWSA-N 219.215 2.296 50 50 BEGA in-vitro O=c1cc(CCl)nc(-c2ccccc2)[nH]1 15020160 BFGHBQQZXUJZNO-UHFFFAOYSA-N 220.659 2.176 50 50 BEGA in-vitro Cc1ccsc1/C=C(/C#N)C(N)=S 238429 PUDLVUQLXVKPKQ-DAXSKMNVSA-N 208.311 2.250 50 50 BEGA Cc1cc(C(=O)N/N=C/c2ccncc2)c(C)o1 381493 QAADXJJYJXLDIY-OVCLIPMQSA-N 243.266 2.055 50 50 BEGA CC(C)Oc1cc(NC(=O)[C@@H](C)Cl)ccn1 1875378262 YJPRQHSXQWUMDS-MRVPVSSYSA-N 242.706 2.435 50 50 BEGA NNC(=O)c1sc2ccccc2c1Cl 35754 HSEDHPBSCKIDQU-UHFFFAOYSA-N 226.688 2.158 50 50 BEGA C[C@@H](Cl)C(=O)NCc1ncc(Cl)s1 719385572 UELZKXVHXFEORO-SCSAIBSYSA-N 239.127 2.040 50 50 BEGA COc1cccc(C=C(C#N)C#N)c1OC(C)=O 395998 YFCNTYQQMZWAMB-UHFFFAOYSA-N 242.234 2.051 50 50 BEGA BrCCCO[C@@H]1CCCCO1 2169549 HJNHUFQGDJLQRS-MRVPVSSYSA-N 223.110 2.315 50 50 BEGA in-vitro O=C(CCl)NCCC1=CCCCC1 4546015 OASLXHHQSIFPSC-UHFFFAOYSA-N 201.697 2.232 50 50 BEGA CC1(C)C2=CCC[C@@H]2CC/C1=N\NC(N)=O 16952673 FEQDXVPSJQJFAJ-OATQHOELSA-N 221.304 2.167 50 50 BEGA O=C=Nc1cccc(I)c1 2384741 LZSQANBVKPXBLO-UHFFFAOYSA-N 245.019 2.259 50 50 BEGA O=C(Cl)c1c(F)cccc1[N+](=O)[O-] 67800084 OJBVENLMFRNJSV-UHFFFAOYSA-N 203.556 2.113 50 50 BEGA ClC[C@H]1CN(c2ccccc2)CCO1 141877006 RUKGENFOLCBVLY-NSHDSACASA-N 211.692 2.131 50 50 BEGA Cc1ccc(/C=C(/C#N)C(N)=S)s1 12410458 KLYBECOZYYCTCC-DAXSKMNVSA-N 208.311 2.250 50 50 BEGA CCOCCCC(=O)N1CCSSCC1 952874644 JLTTWRKVWUQNKT-UHFFFAOYSA-N 249.401 2.027 50 50 BEGA CC[C@H](Br)C(=O)Nc1nccs1 9262854 AKJINHVPVKYWNC-YFKPBYRVSA-N 249.133 2.255 50 50 BEGA in-vitro OB(O)c1ccc(S(F)(F)(F)(F)F)cc1 169807220 FCJOBVXWUWODSK-UHFFFAOYSA-N 247.981 2.024 50 50 BEGA CSC[C@H](C)C(=O)NN(C)c1ccccc1 264507017 QVALCNNUKHLBEH-JTQLQIEISA-N 238.356 2.153 50 50 BEGA CC(C)COC(=O)N(N)c1ccccc1 757128087 PNXMZJMJPKNXJR-UHFFFAOYSA-N 208.261 2.159 50 50 BEGA O=C(CBr)OC1CCCCC1 1687095 JTYINBWQGXHZLX-UHFFFAOYSA-N 221.094 2.257 50 50 BEGA COC(=O)CO[Si](C)(C)C(C)(C)C 196054042 KTNTVTQVEAPQNT-UHFFFAOYSA-N 204.342 2.181 50 50 BEGA in-vitro Cc1ccc(S(=O)(=O)OCCCCl)cc1 1587642 NQCQVNHLNXCSPY-UHFFFAOYSA-N 248.731 2.329 50 50 BEGA BrC/C=C/CBr 1602462 RMXLHIUHKIVPAB-OWOJBTEDSA-N 213.900 2.332 50 50 BEGA COc1cccc(NC(=O)CCCl)c1 2379752 QPTGURLLHGYZOA-UHFFFAOYSA-N 213.664 2.263 50 50 BEGA in-vitro C[C@@H](Br)C(=O)OC(C)(C)C 2584558 CVAWKJKISIPBOD-RXMQYKEDSA-N 209.083 2.112 50 50 BEGA C[C@H](Oc1ccc(F)cc1)C(=O)Cl 33432998 LCJOOCNFGDOZGS-LURJTMIESA-N 202.612 2.358 50 50 BEGA C#C[C@@H](O)CO[Si](C)(C)C(C)(C)C 196474839 RSIBPEBNXDSOJQ-SECBINFHSA-N 200.354 2.002 50 50 BEGA C[C@@H](Cl)C(=O)N(C)Cc1cc(Cl)cn1C 1875364467 MZUZTJVBZFNCLS-SSDOTTSWSA-N 249.141 2.264 50 50 BEGA O=C(N[C@@H]1CC[C@H]2CC[C@H]1C2)[C@H](F)Cl 2325898420 BFWHPNOCUIGKCX-XAVMHZPKSA-N 219.687 2.216 50 50 BEGA O=C(CCc1ccccc1)N/N=C/c1ccc[nH]1 243647 OAERIFRJFXDYQG-LFIBNONCSA-N 241.294 2.098 50 50 BEGA COc1cccc(C(=O)CBr)c1F 95836567 AMPWSRBBALVFAL-UHFFFAOYSA-N 247.063 2.412 50 50 BEGA in-vitro C#CCN(Cc1ccc(C)cc1)C(=O)CCl 1875364943 YQFZDKCQQXNEAT-UHFFFAOYSA-N 235.714 2.196 50 50 BEGA CCCCN(N)C(=O)OC1CCCC1 757129128 SVDMRHHWPORXEH-UHFFFAOYSA-N 200.282 2.041 50 50 BEGA C/C(Nc1ccc(Cl)cc1)=C(/C#N)C(N)=O 282922 YPKJUWVWNUJUBR-JXMROGBWSA-N 235.674 2.035 50 50 BEGA O=C(Cl)OCc1ccc([N+](=O)[O-])cc1 2567962 MHSGOABISYIYKP-UHFFFAOYSA-N 215.592 2.470 50 50 BEGA CC[C@](C)(NC(=O)CCl)c1nccs1 1253968141 KLJGLMOKGUURJK-VIFPVBQESA-N 232.736 2.123 50 50 BEGA CC(=O)OC[C@H](Cl)[C@H](Cl)CCl 1596955 YJZNPEOYUFNCNW-RITPCOANSA-N 219.495 2.003 50 50 BEGA O=C(OCc1ccco1)C(Cl)Cl 2173470 VTNWTBBDOBPRLH-UHFFFAOYSA-N 209.028 2.127 50 50 BEGA N#CC(C(=O)NC1CC1)=C1CCCCC1 1459216 KULGKOJMJZAVRV-UHFFFAOYSA-N 204.273 2.049 50 50 BEGA CC(C)(C)c1ccc(/C=C(\C#N)C(N)=O)cc1 3124157 LUMKHIQEGUUDNT-DHZHZOJOSA-N 228.295 2.376 50 50 BEGA O=C(NNc1ccccc1F)[C@@H]1C[C@H]1C1CC1 152930835 RBIGHFNINCLZJM-VHSXEESVSA-N 234.274 2.315 50 50 BEGA OB(O)c1cccc(S(F)(F)(F)(F)F)c1 169807219 HXWXZNLETFLFCX-UHFFFAOYSA-N 247.981 2.024 50 50 BEGA CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)CCl 75629705 HQCFUDZWXVYJEF-VIFPVBQESA-N 249.738 2.344 50 50 BEGA in-vitro CC[Si](CC)(CC)O[C@H]1COC(=O)C1 169834409 JAROEXSYBJPOMY-SECBINFHSA-N 216.353 2.324 50 50 BEGA CC[C@@](C)(NC(=O)CCl)c1nccs1 1253968140 KLJGLMOKGUURJK-SECBINFHSA-N 232.736 2.123 50 50 BEGA O=[N+]([O-])c1ccc2oc(CCl)nc2c1 169834 AQZQGQKSWZXRCF-UHFFFAOYSA-N 212.592 2.475 50 50 BEGA in-vitro O=C(Cl)c1cc([N+](=O)[O-])c(F)c(F)c1F 71792962 LWUKHVHAIIEWJY-UHFFFAOYSA-N 239.536 2.391 50 50 BEGA O=C(CCl)Nc1ccc2ccnc(O)c2c1 1875368886 CNQKHKKYWFUYKT-UHFFFAOYSA-N 236.658 2.118 50 50 BEGA COCc1cc(C=C(C#N)C#N)ccc1OC 2766489 KZATYVFSRBMGSW-UHFFFAOYSA-N 228.251 2.272 50 50 BEGA CC[C@H](Br)C(=O)c1ccccn1 40456694 PMAMKVXETFDLHM-ZETCQYMHSA-N 228.089 2.438 50 50 BEGA in-vitro O=C(N/N=C/c1ccco1)C1CCCCC1 510961 RZCYQPWFBVMHIZ-UKTHLTGXSA-N 220.272 2.310 50 50 BEGA CCCCOC(=O)N/N=C/c1ccccc1O 2831357 HLDRYVDCQQXFJD-UKTHLTGXSA-N 236.271 2.252 50 50 BEGA O=C(Nc1ccccc1)[C@@H](Cl)CCl 8381420 TZDRAQXFGLPUPV-QMMMGPOBSA-N 218.083 2.471 50 50 BEGA CC(C)C[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 115399 UOGAPEVGMDMWTL-SECBINFHSA-N 246.310 2.380 50 50 BEGA N#C/C(=C\c1c(F)cccc1Cl)C(=O)O 5713235 GVSQWRAAGCVKJI-GQCTYLIASA-N 225.606 2.471 50 50 BEGA CCO[C@H](C)OCCCBr 5861150 OGVSYCZHGUMILG-ZETCQYMHSA-N 211.099 2.171 50 50 BEGA CCOC(=O)/C(C#N)=C/C(Cl)(Cl)Cl 71774028 NLECJGQBYSOPHP-HWKANZROSA-N 242.489 2.370 50 50 BEGA C[C@H](Cl)C(=O)Nc1ccccc1F 3252723 SCIHVRDPCNXWQL-LURJTMIESA-N 201.628 2.392 50 50 BEGA CC(C)(C)OC(=O)N1CC[C@@H](CCl)C1 66339256 ZCOBWMKNMWVILV-QMMMGPOBSA-N 219.712 2.482 50 50 BEGA in-vitro C[C@@H](CCc1cccn1C)NC(=O)[C@H](C)Cl 1875364308 NNUYSQYAUGTALZ-UWVGGRQHSA-N 242.750 2.090 50 50 BEGA O=[N+]([O-])c1ccc(-c2noc(CCl)n2)cc1 12649229 DKZJFBGPUIIFGW-UHFFFAOYSA-N 239.618 2.384 50 50 BEGA CCOP(=O)(COCCCl)OCC 34081383 SRYMPIRBPPQDPD-UHFFFAOYSA-N 230.628 2.465 50 50 BEGA O=C(OC(=O)C1CCCC1)C1CCCC1 100508530 GRCAXSKSTZXYIK-UHFFFAOYSA-N 210.273 2.437 50 50 BEGA COC(=O)c1cc(F)c(CCl)c(F)c1 66325839 RWNXTXQXCJVRLY-UHFFFAOYSA-N 220.602 2.490 50 50 BEGA in-vitro O=C(Cl)COc1ccc(Cl)cc1 1571071 VRBVHQUSAOKVDH-UHFFFAOYSA-N 205.040 2.484 50 50 BEGA in-vitro Cc1nnc([C@H](C)N2CCSSCC2)o1 952874697 LHVJKOFRIOCHQD-ZETCQYMHSA-N 245.373 2.136 50 50 BEGA N#Cc1ccc(N2CCSSCC2)nc1 393759667 KREHTHHWFDQTNR-UHFFFAOYSA-N 237.353 2.155 50 50 BEGA COc1ccc([C@H](Br)C(=O)O)cc1 1719472 QHYJNYKGUSUPMN-QMMMGPOBSA-N 245.072 2.216 50 50 BEGA O=[N+]([O-])c1cccc(OCCCl)c1 4108763 HZNHTVVNRCRLQA-UHFFFAOYSA-N 201.609 2.212 50 50 BEGA C[C@]1(c2ccccc2)CC[C@@H]2C(=O)OC(=O)[C@H]2C1 245242164 FHXWBKINEAZKEX-HUBLWGQQSA-N 244.290 2.444 50 50 BEGA O=C(O)[C@@H](Br)C1CCCC1 39643822 MUPJNXOZPQMJNR-LURJTMIESA-N 207.067 2.025 50 50 BEGA in-vitro O=C(N/N=C/c1ccc(F)cc1)c1ccco1 227755 LEGFVCHFPZIECE-RIYZIHGNSA-N 232.214 2.183 50 50 BEGA Cn1nc(N=C=O)cc1-c1ccc(F)cc1F 215566409 FBZVNQOCPMJHDM-UHFFFAOYSA-N 235.193 2.333 50 50 BEGA CCN(CC)CC(Cl)CN(CC)CC 1653231 FSHOYFLJXMSRNC-UHFFFAOYSA-N 220.788 2.277 50 50 BEGA in-vitro O=C(N/N=C/c1ccccc1Cl)C1CC1 437641 UYQCSWQEDZFNIQ-NTUHNPAUSA-N 222.675 2.200 50 50 BEGA COC(=O)/C(C#N)=C/c1ccc(C)s1 42520 OMQZMFNONMIFMI-VMPITWQZSA-N 207.254 2.137 50 50 BEGA COc1ccc(NC(=O)C(Cl)Cl)cc1 138714 IKDULUPZZPGFFJ-UHFFFAOYSA-N 234.082 2.437 50 50 BEGA O=C(O)c1ccc(-c2noc(CCl)n2)cc1 34924967 PXANEHZMXYKAPE-UHFFFAOYSA-N 238.630 2.174 50 50 BEGA in-vitro CCC[C@H]1CC[C@H](c2ccc(B(O)O)cc2)CC1 242648344 QTBUVZSHCNAPRT-JOCQHMNTSA-N 246.159 2.440 50 50 BEGA in-vitro O=P(O)(O)CCCCCCBr 96308242 GCUMTUOIJWOTCQ-UHFFFAOYSA-N 245.053 2.119 50 50 BEGA in-vitro O=C(CCl)N1CC[C@@H]1c1cccc(F)c1 1253967754 BKVVGXZSQIJFMI-SNVBAGLBSA-N 227.666 2.338 50 50 BEGA NC(=O)N/N=C/c1ccc(-c2ccccc2)cc1 3469299 ZRPPHYTVKRBQES-MHWRWJLKSA-N 239.278 2.356 50 50 BEGA Cc1cccnc1-c1noc(CCl)n1 43616007 ZUKNFFCEKLPQGR-UHFFFAOYSA-N 209.636 2.179 50 50 BEGA O=C(NN=C1CCCCC1)c1ccccc1O 48326 HBPTVARBHZVJLD-UHFFFAOYSA-N 232.283 2.442 50 50 BEGA Cc1ccc(/C=N/NC(=O)c2ccccc2O)o1 59579 OKBCICRQCWGMJP-RIYZIHGNSA-N 244.250 2.058 50 50 BEGA COc1cc(C(=O)Cl)cc(Cl)n1 2581913 RITCMXVSFUDYGY-UHFFFAOYSA-N 206.028 2.123 50 50 BEGA in-vitro COC(=O)c1cc(CCl)cc([N+](=O)[O-])c1 95761828 SOYXACQYGFPAPD-UHFFFAOYSA-N 229.619 2.120 50 50 BEGA in-vitro C[Si](C)(CCCN)O[Si](C)(C)CCCN 169746940 GPXCORHXFPYJEH-UHFFFAOYSA-N 248.519 2.111 50 50 BEGA in-vitro Cc1cccc(NC(=O)NCCCl)c1 1697115 YFJQMNIZVXYKSD-UHFFFAOYSA-N 212.680 2.355 50 50 BEGA C=C(C)C[C@]1(C)C(=O)CC[C@@H]1OC(=O)CCl 34606976 BHRCQJHCFYJHHA-CMPLNLGQSA-N 244.718 2.472 50 50 BEGA N=C1NC(c2ccccc2)=N[C@H]1C(Cl)Cl 1857800251 ZROKAIXBVVTMFC-ZETCQYMHSA-N 242.109 2.186 50 50 BEGA CCn1c(NC(=O)CCl)nc2ccccc21 574167 KNGMBCVMOGEHKM-UHFFFAOYSA-N 237.690 2.234 50 50 BEGA Cn1nc(C(C)(C)C)cc1C(=O)Cl 2150014 SJGURXGUNLVMAQ-UHFFFAOYSA-N 200.669 2.097 50 50 BEGA in-vitro CCCCC(=O)N/N=C/c1ccc(OC)cc1 2895120 RXXTWEFCHAOKTJ-GXDHUFHOSA-N 234.299 2.336 50 50 BEGA O=[N+]([O-])c1ccc2nc(CCl)[nH]c2c1 3886764 ZGYRZVYKZIVFSP-UHFFFAOYSA-N 211.608 2.210 50 50 BEGA in-vitro CC(=O)c1ccccc1NC(=O)CCCl 13322847 DNLSPVDJKJTNPK-UHFFFAOYSA-N 225.675 2.457 50 50 BEGA in-vitro Cc1nc2c(o1)NC(N)=C(C#N)C21CCCCC1 12463259 GRVLJPDAKNRSKU-UHFFFAOYSA-N 244.298 2.304 50 50 BEGA O=C(O)c1ccc(OCCCl)cc1 39218957 YKBCUDCQUOHPPT-UHFFFAOYSA-N 200.621 2.002 50 50 BEGA Oc1ccccc1-c1nc(CCl)no1 436446 ZGVJDSCNZFSKOG-UHFFFAOYSA-N 210.620 2.181 50 50 BEGA CCOC(=O)C[C@@H](N=C=O)c1ccccc1 32919472 FIILOKZYNQADIS-LLVKDONJSA-N 219.240 2.017 50 50 BEGA CC(=O)c1ccc(NC(=O)[C@@H](C)Cl)cc1 349878 WDVDOXHJSQAQHL-SSDOTTSWSA-N 225.675 2.455 50 50 BEGA in-vitro O[C@@H](CCl)COc1ccc(Cl)cc1 1684124 VWCSAUUNSFLUSP-QMMMGPOBSA-N 221.083 2.319 50 50 BEGA Cc1cccc(Cl)c1NC(=O)NN(C)C 2171989 CAQRDAFMNFRUNC-UHFFFAOYSA-N 227.695 2.247 50 50 BEGA C=CCCCN(CC=C)C(=O)CBr 43199312 RFNMXHGNRAVLIU-UHFFFAOYSA-N 246.148 2.362 50 50 BEGA C[C@@H](Cl)C(=O)N[C@H]1COCc2ccccc21 1875377167 AMNJEZKYSLTXCH-KCJUWKMLSA-N 239.702 2.001 50 50 BEGA CCOC(F)(F)[C@H](F)Br 4329276 JHNFRVXKGJVWFU-VKHMYHEASA-N 206.989 2.306 50 50 BEGA biogenic,in-vitro C[C@H]1[C@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 34954469 YXMKLHORHYXDGR-VHSXEESVSA-N 238.294 2.133 50 50 BEGA N#Cc1ccc(CCBr)cc1 39331186 NNNRGWOWXNCGCV-UHFFFAOYSA-N 210.074 2.496 50 50 BEGA in-vitro Cc1cc(O[C@@H](C)C(=O)Cl)ccc1[N+](=O)[O-] 40451340 NNTTYYLVHMEYSR-ZETCQYMHSA-N 243.646 2.436 50 50 BEGA Cc1cc(OCC(=O)Cl)ccc1[N+](=O)[O-] 40451329 TVKJPZXAJHYGIZ-UHFFFAOYSA-N 229.619 2.047 50 50 BEGA COC(=O)c1ccc(CBr)cc1 165422 NLWBJPPMPLPZIE-UHFFFAOYSA-N 229.073 2.368 50 50 BEGA biogenic,in-vitro C[C@H](Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 3887341 QKSYEZBOHBDLAW-LURJTMIESA-N 228.635 2.161 50 50 BEGA in-vitro O=Cc1ccc(OCCOCCCl)cc1 2163894 IAHHPUOOWYVGHG-UHFFFAOYSA-N 228.675 2.133 50 50 BEGA CN(C)C1=CC(=C(C#N)C#N)c2ccccc21 685944509 KQHYAFJCYLNZLS-UHFFFAOYSA-N 221.263 2.403 50 50 BEGA O=C(N[C@@H]1CC[C@H]2CC[C@H]1C2)[C@@H](F)Cl 2325898418 BFWHPNOCUIGKCX-BZNPZCIMSA-N 219.687 2.216 50 50 BEGA C[C@H](O)P(=O)(c1ccccc1)c1ccccc1 394888 URAARPKZZSGYIT-GFCCVEGCSA-N 246.246 2.339 50 50 BEGA COc1ccc(CCN=C=S)cc1OC 2168532 GHYFLDWHIVKQLS-UHFFFAOYSA-N 223.297 2.349 50 50 BEGA in-vitro Cc1occc1C(=O)N/N=C/c1ccccc1F 228159 FVYDXGNAXXGLIW-OVCLIPMQSA-N 246.241 2.491 50 50 BEGA CCCC/C(C)=N/NC(=O)[C@@H](O)c1ccccc1 4997133 GADIIYZGIQCTOZ-JMRXEAOASA-N 248.326 2.402 50 50 BEGA O=C(CCl)Nc1cccc2ncccc12 411419 IQXGPGINYWVRSU-UHFFFAOYSA-N 220.659 2.412 50 50 BEGA in-vitro O=C(CCCl)NCc1ccc(F)cc1 6332573 FDFDRWIRFBXCTI-UHFFFAOYSA-N 215.655 2.071 50 50 BEGA in-vitro C[C@H](Cl)C(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21 1875364519 UEPTWNICIHBQEJ-BXGBBSSXSA-N 249.741 2.316 50 50 BEGA C[C@]1(c2ccccc2)CC[C@H]2C(=O)OC(=O)[C@H]2C1 245242165 FHXWBKINEAZKEX-XUJVJEKNSA-N 244.290 2.444 50 50 BEGA CCOC(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1 160781 BUEJQBJZGAURKT-UXBLZVDNSA-N 246.222 2.065 50 50 BEGA CC(=C(C#N)C#N)c1ccc2c(c1)OCCO2 4964794 IVZRSJPNESFZIL-UHFFFAOYSA-N 226.235 2.278 50 50 BEGA O=[N+]([O-])c1ccc(CBr)c(O)c1 4786944 GFIKQUPVPVZTKV-UHFFFAOYSA-N 232.033 2.195 50 50 BEGA CC(C)(C)[Si](C)(C)OCCOCCO 195896498 LDVVVUYQPMCVTA-UHFFFAOYSA-N 220.385 2.017 50 50 BEGA CC1(C)CCC(c2ccc(B(O)O)cc2)CC1 218920743 KRMIWWSLZCKLRQ-UHFFFAOYSA-N 232.132 2.050 50 50 BEGA CNC(=O)N/N=C(\C)c1ccc2c(c1)CCCC2 222145987 YXPVJWKCMVBQLC-MHWRWJLKSA-N 245.326 2.218 50 50 BEGA CC(C)(C)OC(=O)N1C=C(C=O)CCC1 238155623 VMJWVOLTYVYRPY-UHFFFAOYSA-N 211.261 2.100 50 50 BEGA CCc1cc2c(=O)[nH]c(CCl)nc2s1 337978 HQBIRTSAZOYXAK-UHFFFAOYSA-N 228.704 2.286 50 50 BEGA in-vitro COC(=O)N/N=C(\C)c1nc2ccccc2s1 212529037 XTTIUGQOFJZMKU-NTUHNPAUSA-N 249.295 2.376 50 50 BEGA O=C(CCl)c1cc([N+](=O)[O-])cc(F)c1F 263622702 ACHOMTPHPNXIIF-UHFFFAOYSA-N 235.573 2.295 50 50 BEGA C[C@@H]1CC(C=O)=CN(C(=O)OC(C)(C)C)C1 1875389802 IZHUBSCXRZIIJC-SECBINFHSA-N 225.288 2.346 50 50 BEGA C=C(CNC(=O)CCl)c1ccccc1 1875375050 PBNFGERZFSFLCI-UHFFFAOYSA-N 209.676 2.055 50 50 BEGA O=C(Nc1ccccc1)[C@H](Cl)CCl 2512320 TZDRAQXFGLPUPV-MRVPVSSYSA-N 218.083 2.471 50 50 BEGA O=C1[C@@H](Br)CCN1c1ccccc1 2570014 OXRJWDQGHVJQAU-VIFPVBQESA-N 240.100 2.187 50 50 BEGA in-vitro CC1(C)C/C(=N\NC(N)=O)[C@@]2(C)CC=C[C@H]12 43761575 BAOFQKFUDFAMNB-VLEHADILSA-N 221.304 2.023 50 50 BEGA Cc1occc1C(=O)N/N=C/c1ccc(O)cc1 228203 CNJIISPUPSVKQD-RIYZIHGNSA-N 244.250 2.058 50 50 BEGA NC(=O)CCCC[C@@H]1CCSS1 1532583 FCCDDURTIIUXBY-SSDOTTSWSA-N 205.348 2.186 50 50 BEGA endogenous,world C#Cc1cc(C=O)cc(CBr)c1 1775956427 ABOMMRQGOBINHX-UHFFFAOYSA-N 223.069 2.375 50 50 BEGA OCCC/C=C/CCI 1722002 UICVZWISNDVZGE-OWOJBTEDSA-N 240.084 2.140 50 50 BEGA CC(C)(CNC(=O)CCl)CC1CCOCC1 1875389760 WNNPKVPYHQDRTQ-UHFFFAOYSA-N 247.766 2.184 50 50 BEGA CCc1cccc(CC)c1NC(=O)NN(C)C 2166454 JJJOMKRPGRYTFO-UHFFFAOYSA-N 235.331 2.410 50 50 BEGA O=C(N/N=C/[C@@H]1CC=CCC1)c1cccnc1 4989672 USZHYVSWSRGYDU-BTAWCLGRSA-N 229.283 2.154 50 50 BEGA O=C(O)[C@H](Br)CCC(F)(F)F 72265727 FOMPMQCWNXZEAQ-GSVOUGTGSA-N 234.999 2.177 50 50 BEGA in-vitro CC(=O)OC[C@@H](Cl)[C@H](Cl)CCl 1596956 YJZNPEOYUFNCNW-PHDIDXHHSA-N 219.495 2.003 50 50 BEGA O=C(Cl)COc1cccc(Cl)c1 2389441 KPINZNVDHXIYAR-UHFFFAOYSA-N 205.040 2.484 50 50 BEGA CC(C)(C)[Si](C)(C)O[C@]1(C=O)CCOC1 723162033 KFBBGHNPRWMKRN-NSHDSACASA-N 230.380 2.366 50 50 BEGA C[C@@H]1Cc2ccc(F)cc2[C@H]1NC(=O)CCl 1875364201 IOIQRHVZIILYNW-KRTXAFLBSA-N 241.693 2.414 50 50 BEGA C[C@@H](Cl)C(=O)N[C@H]1CC(C)(C)OC1(C)C 1875377504 FZGSJQKMBJYFHK-SFYZADRCSA-N 233.739 2.076 50 50 BEGA CCc1cnccc1[C@H](C)NC(=O)[C@H](F)Cl 2325897926 MTEPZNWHHYQINL-XVKPBYJWSA-N 244.697 2.356 50 50 BEGA BrCCCI 2389901 ITCHTIHSVATQQI-UHFFFAOYSA-N 248.889 2.206 50 50 BEGA O=C1Oc2ccccc2[C@H]1Br 100033950 MXSVEBOOHMKMQG-SSDOTTSWSA-N 213.030 2.042 50 50 BEGA COc1noc(C2CC2)c1NC(=O)[C@H](F)Cl 2325898526 JBDMLKTXKHLIGQ-ZETCQYMHSA-N 248.641 2.034 50 50 BEGA COC(=O)Cc1ccc(N=C=S)cc1 4343326 YJVMZRQLTVUMTL-UHFFFAOYSA-N 207.254 2.136 50 50 BEGA Cc1cc(C)c(/C=C(\C#N)C(N)=O)c(C)c1 42449 BYMWJFZMPFVVGL-IZZDOVSWSA-N 214.268 2.004 50 50 BEGA O=[N+]([O-])c1ccc(CBr)cc1 164454 VOLRSQPSJGXRNJ-UHFFFAOYSA-N 216.034 2.490 50 50 BEGA in-vitro CCC[C@@H](Br)C(=O)OCC 2042958 ORSIRXYHFPHWTN-ZCFIWIBFSA-N 209.083 2.113 50 50 BEGA in-vitro O=[N+]([O-])c1cc2c(cc1CCl)OCO2 3051501 MBCUJSFNUKRGRE-UHFFFAOYSA-N 215.592 2.062 50 50 BEGA Cc1cc([C@H](C)NC(=O)[C@H](C)Cl)ccn1 1875369774 GUOQGBLJEFEBNA-IUCAKERBSA-N 226.707 2.195 50 50 BEGA CC(C)(C)OC(=O)N1CCC[C@]1(C=O)CCl 307556045 YRDXQXFXYHBHKY-LLVKDONJSA-N 247.722 2.194 50 50 BEGA O=C([C@@H]1CCCS1)N1CCSSCC1 888092928 RAGUEJKOZMOSPX-QMMMGPOBSA-N 249.426 2.106 50 50 BEGA COC(=O)n1c(CCl)nc2ccccc21 15109131 CLRRVAVUKSOPTC-UHFFFAOYSA-N 224.647 2.390 50 50 BEGA COC(=O)Cc1ccccc1CBr 34492021 BRAHRRYCGOLXPW-UHFFFAOYSA-N 243.100 2.297 50 50 BEGA C[C@H](Br)CNC(=O)OC(C)(C)C 34301669 KHFDEFLMWSUKAS-LURJTMIESA-N 238.125 2.295 50 50 BEGA CO[C@@H](C)CCC(=O)NNc1ccc(F)cc1 183024474 JUZLMZVNJVHRKM-VIFPVBQESA-N 240.278 2.084 50 50 BEGA Cc1cccc(C(=O)N/N=C/c2ccc[nH]2)c1 275365 CTNHJYTWFQEUQJ-OQLLNIDSSA-N 227.267 2.087 50 50 BEGA ClCCCCI 2579153 JXOSPTBRSOYXGC-UHFFFAOYSA-N 218.465 2.440 50 50 BEGA C[C@H](Cl)C(=O)Nc1ccc(F)cc1 3887321 WIDIGWZTSCBRNS-LURJTMIESA-N 201.628 2.392 50 50 BEGA in-vitro C/C=C/[C@H](CC=NNC(N)=O)Cc1ccccc1 263631552 ANDAHEHTUPYFIF-DJSXVZOLSA-N 245.326 2.466 50 50 BEGA O=C1Nc2ccccc2CC[C@@H]1Br 3883040 JMXPGCGROVEPID-QMMMGPOBSA-N 240.100 2.335 50 50 BEGA in-vitro CC(C)c1csc(/C(C#N)=C\c2cnn[nH]2)n1 1775999234 BXPYOYWDGVGPAD-BAQGIRSFSA-N 245.311 2.449 50 50 BEGA C/C(=N\NC(=O)[C@@H]1CC12CCC2)c1ccco1 4950174 RSYBPARQDOTUQB-RSYJBZMQSA-N 232.283 2.310 50 50 BEGA BrC[C@H]1COc2ccccc2O1 158537 QYLFKNVZIFTCIY-ZETCQYMHSA-N 229.073 2.221 50 50 BEGA in-vitro O=C(O)Cc1cccc(CBr)c1 38674466 ZEVUGJRUEGVFCU-UHFFFAOYSA-N 229.073 2.209 50 50 BEGA in-vitro Br[C@H]1CCCCC12OCCO2 2160337 HIZCXYHMIUSAOV-ZETCQYMHSA-N 221.094 2.067 50 50 BEGA N#CC(C(=O)NCc1ccco1)=C1CCCC1 6883805 VGQPBYMWGLNTRG-UHFFFAOYSA-N 230.267 2.290 50 50 BEGA Nc1ccccc1OCCBr 8703286 QYMZLOHHMVCQLW-UHFFFAOYSA-N 216.078 2.043 50 50 BEGA in-vitro O=[N+]([O-])c1ccc(OCCOCCCl)cc1 2170634 TWUMBGSWSOLAIV-UHFFFAOYSA-N 245.662 2.229 50 50 BEGA O=C(CCl)N[C@H]1CCOC2(CCCCC2)C1 1320465414 JDNGERAJIQAXTQ-JTQLQIEISA-N 245.750 2.223 50 50 BEGA Br[C@@H]1CCC[C@H]2CNCC[C@@H]12 158425 IIYRCTSNIWCZEC-DJLDLDEBSA-N 218.138 2.160 50 50 BEGA CC1(C)C[C@]23CC=CC[C@]2(C1)C(=O)OC3=O 101049579 IKRVAKQHZWVSRW-STQMWFEESA-N 220.268 2.213 50 50 BEGA COc1ccnc(Cl)c1C(=O)Cl 135769935 HPPVBUBQMILEMJ-UHFFFAOYSA-N 206.028 2.123 50 50 BEGA C[C@@H](Cl)C(=O)Nc1cccc2c1COCC2 1875366414 HTDILLHWDGTTSI-MRVPVSSYSA-N 239.702 2.325 50 50 BEGA ClCc1ccccc1Cn1cncn1 12370353 GQAZPVBEJWITCM-UHFFFAOYSA-N 207.664 2.065 50 50 BEGA CCCC1CCC(c2ccc(B(O)O)cc2)CC1 169878703 QTBUVZSHCNAPRT-UHFFFAOYSA-N 246.159 2.440 50 50 BEGA in-vitro CCO[Si](C)(C)CCCOC[C@@H]1CO1 170154894 HHBOIIOOTUCYQD-SNVBAGLBSA-N 218.369 2.034 50 50 BEGA CC(=O)O[C@@H](CCl)[C@@H](Cl)CCl 1596965 CBGPTBHKLSQXGN-WDSKDSINSA-N 219.495 2.003 50 50 BEGA N#C/C(=C\c1ccoc1)C(=O)Nc1nccs1 6830006 BYJFJPYISRJHCB-WEVVVXLNSA-N 245.263 2.282 50 50 BEGA O=C(N/N=C/c1cccs1)c1ccco1 28625 MRSRGTIMUBUDFE-YRNVUSSQSA-N 220.253 2.105 50 50 BEGA CC(C)(C)OC(=O)/C(C#N)=C/c1ccccn1 584906604 GZRZJAMSNZGQSV-CSKARUKUSA-N 230.267 2.330 50 50 BEGA C[C@@H](Cl)C(=O)NC[C@@H]1CCOC2(CCC2)C1 1875375463 CEAGGLXQEKXDSM-NXEZZACHSA-N 245.750 2.079 50 50 BEGA COC(=O)c1c(N)sc(/C(C)=C\C#N)c1C 4716331 GBRLJASBMJWAOD-XQRVVYSFSA-N 236.296 2.352 50 50 BEGA CCC[C@H]1CC[C@H](c2ccc(B(O)O)cc2)CC1 169744825 QTBUVZSHCNAPRT-BETUJISGSA-N 246.159 2.440 50 50 BEGA CC1(NC(=O)CCl)C[C@@H]2CC[C@H](C1)S2 1875368042 KRQMNKYKIUVECT-JWHQNHQBSA-N 233.764 2.158 50 50 BEGA COc1cccc(-c2noc(CCl)n2)c1 4200478 WCKMMCGTGZMQBY-UHFFFAOYSA-N 224.647 2.484 50 50 BEGA in-vitro COc1cc(CCl)cc2c1OCO2 34186837 ZAQHXEGRPZFNON-UHFFFAOYSA-N 200.621 2.163 50 50 BEGA O=C=Nc1cnc(Cl)c(Br)c1 958527790 BFKMKDBIANIWMX-UHFFFAOYSA-N 233.452 2.465 50 50 BEGA O=C(O)[C@H](Br)C1CCCC1 39643823 MUPJNXOZPQMJNR-ZCFIWIBFSA-N 207.067 2.025 50 50 BEGA in-vitro CC1=C(C)C(C)=C(C#N)C(=C(C#N)C#N)N1 289320 KDIQWDOHXRBUBC-UHFFFAOYSA-N 210.240 2.025 50 50 BEGA C[C@@H](Br)C(=O)N1CCCCCC1 32920017 NYZCLWFRNWNHCT-MRVPVSSYSA-N 234.137 2.172 50 50 BEGA in-vitro CSC[C@@H](C)C(=O)NN(C)c1ccccc1 264507019 QVALCNNUKHLBEH-SNVBAGLBSA-N 238.356 2.153 50 50 BEGA O=[N+]([O-])c1cc(CCl)c2c(c1)COCO2 3886005 PSVFVAYNOKLOMR-UHFFFAOYSA-N 229.619 2.200 50 50 BEGA in-vitro ClC[C@H]1COCCN1Cc1ccccc1 16696992 MSRCVCNYPADFER-LBPRGKRZSA-N 225.719 2.126 50 50 BEGA in-vitro NC(=O)CCCCCCCBr 39398405 DTIHOTAOKMISMP-UHFFFAOYSA-N 222.126 2.207 50 50 BEGA COC(=O)c1ccc(CBr)cc1O 139859238 NQNSXBHKFYZMRO-UHFFFAOYSA-N 245.072 2.074 50 50 BEGA CC[C@@H](Br)C(=O)NCCC(C)C 32919950 UHIXHZQDEYTIBY-MRVPVSSYSA-N 236.153 2.322 50 50 BEGA O=C1Nc2ccccc2CC[C@H]1Br 3883041 JMXPGCGROVEPID-MRVPVSSYSA-N 240.100 2.335 50 50 BEGA in-vitro CC[C@](C)(C=NNC(N)=O)c1ccccc1 254398946 OOHSBCHKDYCRMX-GFCCVEGCSA-N 219.288 2.008 50 50 BEGA CC(C)(C)c1nocc1CNC(=O)[C@H](F)Cl 2325898522 IXBXJTAIZPQPTD-QMMMGPOBSA-N 248.685 2.123 50 50 BEGA C[C@H]1C/C(=N/NC(=O)CC#N)CC(C)(C)C1 4761842 JLMSDPVQDAXGPX-DCMHDJSWSA-N 221.304 2.218 50 50 BEGA CO[C@@H](NC(=O)c1ccccc1)C(Cl)Cl 129916 WKGOULNTYPFWOZ-SNVBAGLBSA-N 248.109 2.193 50 50 BEGA CN(NC(=O)c1ccccc1)c1ccccc1 1763411 XVFFMJQABLVQDU-UHFFFAOYSA-N 226.279 2.468 50 50 BEGA CC(=O)O/N=C1/C(C)=C(C#N)[C@@H]2[C@H]1C2(C)C 5008814 YGSGVWNRWQKRTK-IUVOVWGLSA-N 218.256 2.031 50 50 BEGA biogenic O=C(CCl)Nc1cnc2ccccc2c1 8702660 GDGMXFPYPJHPSM-UHFFFAOYSA-N 220.659 2.412 50 50 BEGA O=C(CCl)c1cc(F)c([N+](=O)[O-])c(F)c1 263624728 SYGAUCUANWJHSU-UHFFFAOYSA-N 235.573 2.295 50 50 BEGA CC(C)(C)[Si](C)(C)OCCOCC=O 201346364 HSBMAQNKNCEWSO-UHFFFAOYSA-N 218.369 2.224 50 50 BEGA in-vitro Cc1occc1C(=O)N/N=C/c1ccccc1O 249436 YAWFJGBHXOMKKD-RIYZIHGNSA-N 244.250 2.058 50 50 BEGA Cc1cccc(/C=N/NC(=O)c2cc(C)on2)c1 372875 ATVVVVAFEABMOI-RIYZIHGNSA-N 243.266 2.055 50 50 BEGA O=Cc1cccc(OCCOCCCl)c1 2163890 OKNVWNIHXPINFT-UHFFFAOYSA-N 228.675 2.133 50 50 BEGA COC(=O)c1sccc1CBr 15442586 INQCGTXAYKWHGH-UHFFFAOYSA-N 235.102 2.430 50 50 BEGA C[C@H](Cl)C(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 1875364524 UEPTWNICIHBQEJ-KKBFJBPOSA-N 249.741 2.316 50 50 BEGA O=C(Cl)C(=O)c1c[nH]c2ccccc12 1716915 FPEGGKCNMYDNMW-UHFFFAOYSA-N 207.616 2.116 50 50 BEGA in-vitro COc1ccc(C=C(C#N)C#N)cc1OC 36589 RENWPBQTHLAKLS-UHFFFAOYSA-N 214.224 2.134 50 50 BEGA biogenic,in-vitro CC(=O)Oc1cccc(C(=O)Cl)c1C 2389458 COLDUSGLGQXXEJ-UHFFFAOYSA-N 212.632 2.299 50 50 BEGA in-vitro OCCc1ccc(CBr)cc1 115256050 FHTDEJBMJPVVJB-UHFFFAOYSA-N 215.090 2.116 50 50 BEGA CCN(Cc1nccs1)C(=O)[C@@H](C)Cl 1875376429 WPDPJZWTIKUXJG-SSDOTTSWSA-N 232.736 2.119 50 50 BEGA Cc1cc(O[C@H](C)C(=O)Cl)ccc1[N+](=O)[O-] 40451341 NNTTYYLVHMEYSR-SSDOTTSWSA-N 243.646 2.436 50 50 BEGA CC(C)=C[C@@H]1C=C(C)[C@H](C)[C@@H]2C(=O)OC(=O)[C@H]21 252516732 WGCKYCGUJYPRCV-USZNOCQGSA-N 234.295 2.481 50 50 BEGA biogenic COc1cccc2c1CN(C(=O)[C@@H](C)Cl)C2 1875366904 WOGWQUHWSUFOAA-MRVPVSSYSA-N 239.702 2.165 50 50 BEGA CC(C)ONC(=O)C1CCC(Cl)CC1 1339279441 ACTPKYHITAELKO-UHFFFAOYSA-N 219.712 2.240 50 50 BEGA [C-]#[N+][C@H](CC)S(=O)(=O)c1ccc(C)cc1 100264261 HLITUPWOVBUZQH-NSHDSACASA-N 223.297 2.424 50 50 BEGA in-vitro C[C@@H](Cl)C(=O)N[C@H]1COc2ccc(F)cc21 1875378064 VBVCGEJPWCWTEJ-MUWHJKNJSA-N 243.665 2.003 50 50 BEGA C/C(CC(C)C)=N\NC(=O)c1ccncc1 4766744 PVSRCJKQAFIUCF-GXDHUFHOSA-N 219.288 2.233 50 50 BEGA O=C(Cl)c1cnn(Cc2ccccc2)c1 40538478 KCSLMSWFSIEWJR-UHFFFAOYSA-N 220.659 2.310 50 50 BEGA in-vitro O=C(Oc1ccc([N+](=O)[O-])cc1)C(F)(F)F 57166 JFOIBTLTZWOAIC-UHFFFAOYSA-N 235.117 2.063 50 50 BEGA biogenic CC(=O)N/N=C/c1cccc(C(F)(F)F)c1 439634 ZDDAQOZVBAUEDW-MKMNVTDBSA-N 230.189 2.175 50 50 BEGA C/C(=N\NC(N)=O)[C@H]1C[C@]1(C)C(C)(C)C 4947768 CKQDLWSKFIVAEJ-HQLDNGAWSA-N 211.309 2.103 50 50 BEGA O=Cc1ccccc1CCBr 22116444 PHDOYZATHWYOJK-UHFFFAOYSA-N 213.074 2.437 50 50 BEGA in-vitro Cc1cc(C(=O)N/N=C/c2ccccn2)cs1 2749547 CWLMQZZTYPXJKQ-VGOFMYFVSA-N 245.307 2.215 50 50 BEGA Cc1c(F)cccc1NC(=O)CBr 82510997 RQCSJTAGPLQYHP-UHFFFAOYSA-N 246.079 2.468 50 50 BEGA Cc1ccc(/C=N/NC(=O)c2ccccn2)cc1 227959 KAMFUVKDSMJFBF-MHWRWJLKSA-N 239.278 2.154 50 50 BEGA Cc1cc(C)c(C)c(/C=C(/C#N)C(N)=O)c1C 12341332 OIEXTSXGMFSINP-SDQBBNPISA-N 228.295 2.313 50 50 BEGA O=[PH](c1ccccc1)c1ccccc1 169620128 ASUOLLHGALPRFK-UHFFFAOYSA-N 202.193 2.197 50 50 BEGA in-vitro CNC(=O)N/N=C(\C)[C@H]1C[C@@H]1c1ccccc1 222155465 IELSGKKIRACVBS-ZOPJJOQRSA-N 231.299 2.095 50 50 BEGA Cc1ccc(F)c(NC(=O)CCl)c1 4502382 CIJOMYINGDFPDP-UHFFFAOYSA-N 201.628 2.311 50 50 BEGA in-vitro NCCP(c1ccccc1)c1ccccc1 8575667 RXEPBCWNHKZECN-UHFFFAOYSA-N 229.263 2.078 50 50 BEGA in-vitro Cc1noc(-c2cccc(N=C=O)c2)n1 12370386 UZRLVBQAYJHVPO-UHFFFAOYSA-N 201.185 2.012 50 50 BEGA COC(=O)c1ccc(CBr)s1 12397673 GFOPHLFSDVVYGB-UHFFFAOYSA-N 235.102 2.430 50 50 BEGA in-vitro O=[N+]([O-])c1ccc(OCCCl)cc1 2568340 OBCFOPGCTNULTG-UHFFFAOYSA-N 201.609 2.212 50 50 BEGA in-vitro BrCc1cn2ccccc2n1 1872051 JCGXENHQTFZZCJ-UHFFFAOYSA-N 211.062 2.229 50 50 BEGA O=C[C@H]1SC(=O)N(c2ccccc2)[C@H]1Cl 3122861 NHXLXWICYIHKMZ-RKDXNWHRSA-N 241.699 2.492 50 50 BEGA CC(C)(Br)C(=O)Br 2242573 YOCIJWAHRAJQFT-UHFFFAOYSA-N 229.899 2.081 50 50 BEGA in-vitro C/C(O)=C(/C#N)c1nc2ccccc2n1C 1857796598 SQGKUJJKYOCOFV-CMDGGOBGSA-N 213.240 2.386 50 50 BEGA CCOc1ccc(NC[C@@H](O)CCl)cc1 433543 CTUDPIPGRUSRFD-JTQLQIEISA-N 229.707 2.097 50 50 BEGA C[C@@H](Cl)C(=O)c1ccc(CC(=O)O)cc1 2386901 SYKQUPRADSJCQY-SSDOTTSWSA-N 226.659 2.124 50 50 BEGA Cc1cccc2c1CN(C(=O)CCl)C2 2325899473 GAOLKXKXGVRAIN-UHFFFAOYSA-N 209.676 2.076 50 50 BEGA C[C@H](NC(=O)CCl)c1csc(C2CC2)n1 1875364526 NOGDVUVWMCWAIH-LURJTMIESA-N 244.747 2.437 50 50 BEGA O=C(CCl)N1CCCc2ccccc21 266456 CTCLPENRFAHENT-UHFFFAOYSA-N 209.676 2.205 50 50 BEGA in-vitro COCCN(CCCl)Cc1ccccc1 71057375 GVSPFGGUBVUVMN-UHFFFAOYSA-N 227.735 2.374 50 50 BEGA C[Si](C)(C)O[C@@H](C#N)c1ccccn1 196507522 CCGQMBNGDWDQFC-JTQLQIEISA-N 206.321 2.498 50 50 BEGA CN(C)c1ccc(/C=C(\C#N)C(N)=S)s1 685944778 WNPBWYWXYFNBIN-FNORWQNLSA-N 237.353 2.007 50 50 BEGA COc1ccc(OC)c(NC(=O)[C@H](C)Cl)c1 3379280 RMRDVDAALOHFAM-ZETCQYMHSA-N 243.690 2.270 50 50 BEGA Cc1cc(NC(=O)CBr)ccc1F 82511135 HDRJOLXXNSQSKM-UHFFFAOYSA-N 246.079 2.468 50 50 BEGA CCO[Si](CN)(OCC)OC(C)(CC)CC 169976119 ADVGQXUWLNZVSW-UHFFFAOYSA-N 249.427 2.092 50 50 BEGA C[C@@H](Cl)C(=O)N(C)Cc1ncc(C2CC2)o1 1875389939 RYVFXIQBJLYRHH-SSDOTTSWSA-N 242.706 2.138 50 50 BEGA CCOC(=O)c1ccc(NC(=O)CCl)cc1 155971 ZVRJEYAQESBSSH-UHFFFAOYSA-N 241.674 2.041 50 50 BEGA in-vitro Cc1ccc(O[C@H](C)C(=O)Cl)c([N+](=O)[O-])c1 40451339 LXOJOTMFPMSXRJ-SSDOTTSWSA-N 243.646 2.436 50 50 BEGA N#CC1=C(S)NC(=O)C[C@H]1c1cccs1 289340 GRIHEGXLYFTJPU-ZCFIWIBFSA-N 236.321 2.017 50 50 BEGA COc1ccc(N=C=S)c([N+](=O)[O-])c1 4268104 YVARXELMRLSEEG-UHFFFAOYSA-N 210.214 2.338 50 50 BEGA in-vitro COC(=O)c1ccc2oc(CCl)nc2c1 8729966 RQZPYCDYMVRMSC-UHFFFAOYSA-N 225.631 2.353 50 50 BEGA in-vitro CCN(Cc1nccs1)C(=O)[C@H](C)Cl 1875376430 WPDPJZWTIKUXJG-ZETCQYMHSA-N 232.736 2.119 50 50 BEGA CC[C@H](Nc1cccc2ccccc12)C(=O)NN 34925117 HDEMHSNWVYEFSC-LBPRGKRZSA-N 243.310 2.020 50 50 BEGA CC(=O)O/N=C1/C(C)=C(C#N)[C@@H]2[C@@H]1C2(C)C 102728758 YGSGVWNRWQKRTK-XTOPUIKQSA-N 218.256 2.031 50 50 BEGA Cc1ccccc1CC(=O)CC(=O)Cl 263623250 FYCXIDRCVUGBFB-UHFFFAOYSA-N 210.660 2.262 50 50 BEGA CC(C)(C)OC(=O)NCCCN=C=S 2568337 CLFBORGOMXNXFH-UHFFFAOYSA-N 216.306 2.004 50 50 BEGA in-vitro Nc1cccc(-c2noc(CCl)n2)c1 12649233 AHCZAZOXRKPNHL-UHFFFAOYSA-N 209.636 2.058 50 50 BEGA in-vitro CC(C)CN(CC(C)C)C(=O)CCl 1672987 ARVSNCMWOCPYNR-UHFFFAOYSA-N 205.729 2.366 50 50 BEGA in-vitro O=C(CCl)NC[C@H]1C[C@@H]1Cc1ccccc1 1875367761 KRDQJDBNCBAWEA-NWDGAFQWSA-N 237.730 2.220 50 50 BEGA N#CC(C#N)=Cc1ccc(O)c(Cl)c1 444048 VJUMTEZLEVUGOZ-UHFFFAOYSA-N 204.616 2.476 50 50 BEGA COc1ccccc1NC(=O)NCCCl 4611011 ILQGNNBOIUJWGL-UHFFFAOYSA-N 228.679 2.056 50 50 BEGA O=C(Cl)c1cccc(C(F)(F)F)n1 30718799 AUWDKAUYDQJDMS-UHFFFAOYSA-N 209.554 2.479 50 50 BEGA in-vitro O=C(Nc1ccccc1[N+](=O)[O-])OCCCl 30836202 RJABPMJBRYACRZ-UHFFFAOYSA-N 244.634 2.382 50 50 BEGA O=C(CCl)NCC[C@H]1CCCC1(F)F 1334047817 ZXYMUDRLDMFVLJ-SSDOTTSWSA-N 225.666 2.167 50 50 BEGA COc1ccc(NC(=O)[C@H](C)Cl)cc1 2551971 DGAWNIKUBVWNHS-ZETCQYMHSA-N 213.664 2.261 50 50 BEGA in-vitro O=C1c2ccccc2C(=O)N1CCCCCl 2565606 WUXVKQNZTXLHLL-UHFFFAOYSA-N 237.686 2.302 50 50 BEGA COc1cccc(NC(=O)NCCCl)c1 1751779 YOLMMVVRCHJMHY-UHFFFAOYSA-N 228.679 2.056 50 50 BEGA CC(C)(C)/C=N/NC(=O)c1ccccc1 4421436 AMSONEKMVLMUKM-UKTHLTGXSA-N 204.273 2.448 50 50 BEGA in-vitro O=C(CCCl)NC1CCCCCC1 5638859 LEIHDNGIJLYRBH-UHFFFAOYSA-N 203.713 2.454 50 50 BEGA in-vitro CO[Si](C)(CC[C@@H]1CC[C@H]2O[C@H]2C1)OC 200365353 SLQTWNAJXFHMHM-AXFHLTTASA-N 230.380 2.309 50 50 BEGA CCOc1ccccc1NC(=O)CCl 146679 TXTPYAXGXUVHCQ-UHFFFAOYSA-N 213.664 2.263 50 50 BEGA in-vitro O=C(Cl)/C=C/c1ccccc1[N+](=O)[O-] 39246864 WNTFCQNBXNFITF-AATRIKPKSA-N 211.604 2.373 50 50 BEGA in-vitro COC(=O)C#CCO[Si](C)(C)C(C)(C)C 169836370 AZZKYIBYBIUUTC-UHFFFAOYSA-N 228.364 2.185 50 50 BEGA in-vitro CCOC(=O)CCCCBr 1569113 AFRWBGJRWRHQOV-UHFFFAOYSA-N 209.083 2.115 50 50 BEGA in-vitro CCN(Cc1ccccc1)C(=O)CCl 3276935 OFUGAFLNLROZAL-UHFFFAOYSA-N 211.692 2.274 50 50 BEGA in-vitro CCOC(=O)/C(O)=C(\C#N)c1ccc(C)cc1 102312824 MKPAMZCNQXGBQF-QXMHVHEDSA-N 231.251 2.351 50 50 BEGA CCO[Si](OCC)(OCC)c1cccs1 170174018 ZRQAIBMAFLMIND-UHFFFAOYSA-N 246.404 2.004 50 50 BEGA Cc1noc(C)c1[C@@H](C)CNC(=O)[C@@H](C)Cl 1875378305 ZFRNYLNKRUMRMG-NKWVEPMBSA-N 244.722 2.138 50 50 BEGA O=C(NCCCl)c1cccc(Cl)c1 1667995 OIEWWFDMRKFKEB-UHFFFAOYSA-N 218.083 2.309 50 50 BEGA COc1ccc(-c2nnc(CCl)o2)cc1 163120 GEHIXSKXGCIKJJ-UHFFFAOYSA-N 224.647 2.484 50 50 BEGA in-vitro O=C/C=C/C=C/c1ccc([N+](=O)[O-])cc1 2036005 BKLWQDSDJBFRDF-ZPUQHVIOSA-N 203.197 2.363 50 50 BEGA in-vitro Cl[C@H](Br)CBr 100075118 DVTKTUMRXCKEEG-REOHCLBHSA-N 222.307 2.341 50 50 BEGA Br[C@@H]1CCCCC12OCCO2 2160339 HIZCXYHMIUSAOV-SSDOTTSWSA-N 221.094 2.067 50 50 BEGA O=C(O)C[C@@H](CN=C=S)c1ccccc1 757190381 AFWKRVRLSAFKQY-JTQLQIEISA-N 221.281 2.348 50 50 BEGA C[C@@H](Cl)C(=O)Nc1ccc(Cl)cn1 3887368 CNAAXGGFJZFRBZ-RXMQYKEDSA-N 219.071 2.301 50 50 BEGA in-vitro O=C(CCl)Nc1ccc(Br)cn1 4740871 OVIDBGFJVRQUPX-UHFFFAOYSA-N 249.495 2.021 50 50 BEGA in-vitro O=C(CCl)NCc1cc(C2CCCC2)on1 1875370451 PABMCRIGJLXPGD-UHFFFAOYSA-N 242.706 2.187 50 50 BEGA O=C(NN=C1CCCCC1)c1cccnc1 245364 HEEMIXKRKQUFEV-UHFFFAOYSA-N 217.272 2.132 50 50 BEGA C/C=C/C=C/C(=O)N(N)c1ccc(C)cc1 396142796 SFUOGWMMHCFCBL-VNKDHWASSA-N 216.284 2.334 50 50 BEGA ClP(c1ccco1)c1ccco1 100009669 IYEUYNXDXNWPJI-UHFFFAOYSA-N 200.561 2.459 50 50 BEGA C[C@H](Cl)C(=O)Nc1ccccc1[N+](=O)[O-] 3887361 RUGNNTYZTSTHKK-LURJTMIESA-N 228.635 2.161 50 50 BEGA in-vitro O=C(Cl)COc1ccc(F)cc1F 12428526 QQRROMNHZVTARY-UHFFFAOYSA-N 206.575 2.109 50 50 BEGA in-vitro CC(C)N1CC[C@H](CBr)C1 67425312 GETGPMUBCWOGTD-MRVPVSSYSA-N 206.127 2.112 50 50 BEGA COc1c(F)cc(C(=O)Cl)cc1F 2527836 KQZUCQYQLNPECC-UHFFFAOYSA-N 206.575 2.352 50 50 BEGA in-vitro N#C/C(=C\C=C\c1ccco1)C(N)=S 2860481 FAOHAFPNWDWTBM-ZOVTWTBISA-N 204.254 2.029 50 50 BEGA Cn1c(=O)c(CCl)cc2ccccc21 3882765 RRBZYQKQFDGOIY-UHFFFAOYSA-N 207.660 2.277 50 50 BEGA in-vitro C[C@H](Cl)C(=O)Nc1cccc2c1COCC2 1875366415 HTDILLHWDGTTSI-QMMMGPOBSA-N 239.702 2.325 50 50 BEGA CCc1cc(CC)c(/C=N/NC(N)=O)c(CC)c1 243853 NUUUQCSIANVGGH-CXUHLZMHSA-N 247.342 2.376 50 50 BEGA O=[N+]([O-])c1ccc(O)c(CBr)c1 35024770 KFDPCYZHENQOBV-UHFFFAOYSA-N 232.033 2.195 50 50 BEGA O=C(CBr)c1ccsc1 158757 TXEJYUFJFSPCHH-UHFFFAOYSA-N 205.076 2.326 50 50 BEGA in-vitro COC(=O)CCCCCBr 2556316 KYLVAMSNNZMHSX-UHFFFAOYSA-N 209.083 2.115 50 50 BEGA in-vitro C[C@@H](CCc1cccn1C)NC(=O)[C@@H](C)Cl 1875364309 NNUYSQYAUGTALZ-VHSXEESVSA-N 242.750 2.090 50 50 BEGA COC(=O)Cc1ccc(CBr)cc1 16123999 APXOMRFLJBRHNX-UHFFFAOYSA-N 243.100 2.297 50 50 BEGA in-vitro ClCc1ccc(OC2CCOCC2)nc1 12370588 XPOHCIVJYJZKHS-UHFFFAOYSA-N 227.691 2.378 50 50 BEGA in-vitro COc1ccc(C#N)cc1CBr 34118880 FMGIAMOOHWQISI-UHFFFAOYSA-N 226.073 2.462 50 50 BEGA in-vitro Cc1occc1C(=O)NNc1ccccc1F 152874228 UIIFECKYHSHMGW-UHFFFAOYSA-N 234.230 2.484 50 50 BEGA CCC1(C)CC(=O)N(CCCCl)C(=O)C1 526056020 BMMUWTBZFUZZDN-UHFFFAOYSA-N 231.723 2.181 50 50 BEGA COc1ccc(NC(=O)CBr)cc1 3074310 QLFJPPNMBXMPHB-UHFFFAOYSA-N 244.088 2.029 50 50 BEGA in-vitro CCCCCC1CCC(C(=O)NN)CC1 2580722 MBWRHUSKMKZTLJ-UHFFFAOYSA-N 212.337 2.363 50 50 BEGA CC(C)C[C@@H]1C[C@H](NC(=O)[C@@H](C)Cl)CCO1 1875378069 VGOJCMFYHNEYQD-GMTAPVOTSA-N 247.766 2.324 50 50 BEGA O=C1c2ccccc2C[C@@H]1Br 159090 UXVCSPSWUNMPMT-QMMMGPOBSA-N 211.058 2.189 50 50 BEGA O=S(=O)(CCCl)c1ccc(Cl)cc1 1734872 KXQHTLXSDBXWNB-UHFFFAOYSA-N 239.123 2.353 50 50 BEGA in-vitro C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1 169743111 HTDJPCNNEPUOOQ-UHFFFAOYSA-N 222.465 2.155 50 50 BEGA O=C(CCl)N(C[C@H]1CCCO1)C1CCCC1 1875364360 OYEHPYCPOYNZDR-LLVKDONJSA-N 245.750 2.175 50 50 BEGA O=C(CCCl)N[C@H]1CCCC[C@@H]1Cl 5375904 LBEMAZKONHSRED-YUMQZZPRSA-N 224.131 2.282 50 50 BEGA O=C(N/N=C/c1ccc(O)cc1)c1cccs1 228106 AHGCRIGEGMISDY-MDWZMJQESA-N 246.291 2.218 50 50 BEGA O=C(CCl)c1c(F)cc([N+](=O)[O-])cc1F 263623913 LTYGFHZQIDWHLU-UHFFFAOYSA-N 235.573 2.295 50 50 BEGA CO/N=C/C(C#N)=C/c1ccc(OC)c(OC)c1 3046975 FTRUASFTLSXRTJ-KWWZHBJFSA-N 246.266 2.243 50 50 BEGA COc1cccc(OC)c1OCCCl 19094121 QJLAEVDWQPIZHI-UHFFFAOYSA-N 216.664 2.321 50 50 BEGA in-vitro Cc1cccc(N(N)C(=O)OC(C)C)c1 757126465 FYYJPUKKYCQTIU-UHFFFAOYSA-N 208.261 2.220 50 50 BEGA O=C(O)[C@@H](CCc1ccccc1)N=C=S 757188872 PWUVCLSSUBJMEO-SNVBAGLBSA-N 221.281 2.175 50 50 BEGA O=C[C@@H]1SC(=O)N(c2ccccc2)[C@H]1Cl 3122862 NHXLXWICYIHKMZ-DTWKUNHWSA-N 241.699 2.492 50 50 BEGA O=C(N/N=C/[C@H]1CC=CCC1)c1cccnc1 4989671 USZHYVSWSRGYDU-ZRRZQRFHSA-N 229.283 2.154 50 50 BEGA O=C=NC1(c2cccs2)CCOCC1 12370708 CDJWJYYYKMFRFC-UHFFFAOYSA-N 209.270 2.090 50 50 BEGA in-vitro Cc1csc([C@H](NC(=O)CCl)C2CC2)n1 1319681577 CMWLBGZQJLVMCC-SECBINFHSA-N 244.747 2.258 50 50 BEGA Cc1noc(C)c1[C@H](C)CNC(=O)[C@H](C)Cl 1875378307 ZFRNYLNKRUMRMG-RQJHMYQMSA-N 244.722 2.138 50 50 BEGA Cc1ccc(CNC(=O)CCCl)cc1 5543876 JCXPLJUUWBWOAB-UHFFFAOYSA-N 211.692 2.240 50 50 BEGA in-vitro N#CC=C1CN(C(=O)OCc2ccccc2)C1 261508381 RVCFRLZUFFRFAM-UHFFFAOYSA-N 228.251 2.089 50 50 BEGA Cc1cccc(C(=O)N/N=C/c2ccco2)c1 222529 LZSYTRACBOBHJM-NTEUORMPSA-N 228.251 2.352 50 50 BEGA O=[N+]([O-])c1ccc([C@H](CCl)[N+](=O)[O-])cc1 3122173 QLRQGWANEKYFMZ-QMMMGPOBSA-N 230.607 2.151 50 50 BEGA CO[C@H](NC(=O)c1ccccc1)C(Cl)Cl 129913 WKGOULNTYPFWOZ-JTQLQIEISA-N 248.109 2.193 50 50 BEGA O=C(CCl)Nc1cc(F)c(F)cc1F 153686 PDMSXDUFJXGAAY-UHFFFAOYSA-N 223.581 2.281 50 50 BEGA in-vitro OB(O)c1ccc(-c2cccc3ccccc23)cc1 169745512 BQHVXFQXTOIMQM-UHFFFAOYSA-N 248.090 2.187 50 50 BEGA in-vitro CC(C)(C)[Si](C)(C)OCC#CC(=O)O 169956285 DNEAINNTXMYDFB-UHFFFAOYSA-N 214.337 2.096 50 50 BEGA in-vitro BrCCCc1cccnc1 12374815 BJTBTVNTKNDUJP-UHFFFAOYSA-N 200.079 2.409 50 50 BEGA in-vitro CC(=O)O[C@H](CCl)c1cccc([N+](=O)[O-])c1 160392 DSOBLSCXRVDNSL-SNVBAGLBSA-N 243.646 2.438 50 50 BEGA N#CC(C#N)=Cc1cnc2ccccc2n1 2766444 KSHGFMJJGLYCNX-UHFFFAOYSA-N 206.208 2.060 50 50 BEGA CCCCC(=O)N/N=C/c1ccccc1 2895122 CIPKCSNICTWTSG-JLHYYAGUSA-N 204.273 2.327 50 50 BEGA N#CC(C(=O)N1CCOCC1)=C1CCCCCC1 6185600 FBUJUTISQQOVGC-UHFFFAOYSA-N 248.326 2.020 50 50 BEGA O=C(N/N=C/c1ccccc1)[C@H]1CC12CCC2 15636354 BILMQHAVCCRUKW-JXCQQFQQSA-N 228.295 2.327 50 50 BEGA C[C@@H](Cc1ccccc1)NC(=O)CCCl 2166762 WLUXBQWZVWMKCR-JTQLQIEISA-N 225.719 2.363 50 50 BEGA in-vitro Cc1cc([C@@H](C)NC(=O)[C@H](C)Cl)ccn1 1875369773 GUOQGBLJEFEBNA-DTWKUNHWSA-N 226.707 2.195 50 50 BEGA NNC(=O)N(c1ccccc1)c1ccccc1 407016 VVVFQQJJJRFDTE-UHFFFAOYSA-N 227.267 2.408 50 50 BEGA C[C@H](Cl)C(=O)N[C@@H]1COCc2ccccc21 1875377165 AMNJEZKYSLTXCH-GZMMTYOYSA-N 239.702 2.001 50 50 BEGA COc1cc([N+](=O)[O-])ccc1N=C=S 4268093 NXWXXLFRMVILJN-UHFFFAOYSA-N 210.214 2.338 50 50 BEGA in-vitro CNC(=O)/C(C#N)=C/c1c(F)cccc1Cl 265674 KQBGZQDQJMSBCE-FNORWQNLSA-N 238.649 2.132 50 50 BEGA Cc1nc2ccc(NC=C(C#N)C#N)cc2o1 1384488 WRCFHZAGPBWRQP-UHFFFAOYSA-N 224.223 2.479 50 50 BEGA O=C/C(=C\O)c1ccc(Cl)cc1[N+](=O)[O-] 100071789 XQBJUWLKSBDSKM-GQCTYLIASA-N 227.603 2.346 50 50 BEGA N#C[C@@H](Cl)[C@@H](C#N)c1ccc([N+](=O)[O-])cc1 3123683 JUHQMTGBAXRGBT-VHSXEESVSA-N 235.630 2.333 50 50 BEGA O=C(Cl)c1c(F)cc([N+](=O)[O-])cc1F 263623895 LQASJWVTGSXMPC-UHFFFAOYSA-N 221.546 2.252 50 50 BEGA N#CC(C#N)=C1CC(=O)c2cc(F)c(F)cc21 1772715856 FKMLTPDJPCYVHT-UHFFFAOYSA-N 230.173 2.352 50 50 BEGA O=C(Cl)/C=C/c1ccc([N+](=O)[O-])cc1 1558535 RUPXNPWALFDXJD-ZZXKWVIFSA-N 211.604 2.373 50 50 BEGA O=C(Cc1ccccc1)NNc1ccccc1 1586346 UITIZRPCBOEVEM-UHFFFAOYSA-N 226.279 2.372 50 50 BEGA biogenic CO[C@@](C)(CCl)CBr 157973113 JTKXEGRMYHMZHH-RXMQYKEDSA-N 201.491 2.025 50 50 BEGA NNC(=O)c1sc2cccc(F)c2c1Cl 2568932 WMCIZHGLWWYFDD-UHFFFAOYSA-N 244.678 2.297 50 50 BEGA N#CC(C#N)=CN1CCCc2ccccc21 2610327 BRAGAPJGCIPEPQ-UHFFFAOYSA-N 209.252 2.370 50 50 BEGA Cc1ccc(/C(N)=N/NC(=O)OC(C)(C)C)cc1 43769288 WDMAMVLFOMHSDE-UHFFFAOYSA-N 249.314 2.140 50 50 BEGA O=S1(=O)C[C@]23CC=CC[C@]2(CCC3)[C@@H]1Cl 45070629 UOJKVQLSIHFTMP-MXWKQRLJSA-N 246.759 2.486 50 50 BEGA Oc1cc(F)ccc1CBr 238699040 YWTIJJXUPCJRII-UHFFFAOYSA-N 205.026 2.426 50 50 BEGA O=C(Cl)CC(=O)Cc1cccc(F)c1 263622777 AWFIOVGMFFGKNL-UHFFFAOYSA-N 214.623 2.093 50 50 BEGA N#Cc1ccccc1NC(=O)OCCl 601147052 CTVLWZXHBOYCIF-UHFFFAOYSA-N 210.620 2.303 50 50 BEGA CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)CCl 1341523781 ISYYLDMVCAOIGV-ZJUUUORDSA-N 247.766 2.277 50 50 BEGA COc1cc(CCl)c([N+](=O)[O-])cc1OC 37226603 VRHNUGLFVZJARZ-UHFFFAOYSA-N 231.635 2.351 50 50 BEGA in-vitro COc1cccc(C(=O)O)c1CBr 78010714 FJMAWVQPIPVAMC-UHFFFAOYSA-N 245.072 2.288 50 50 BEGA COc1ccc(OC)c(C(=O)Cl)c1F 144089890 MEVJHBRTVZESCT-UHFFFAOYSA-N 218.611 2.222 50 50 BEGA O=C(NNc1ccccc1F)[C@H]1C[C@H]1C1CC1 152930921 RBIGHFNINCLZJM-UWVGGRQHSA-N 234.274 2.315 50 50 BEGA CCO[Si](CCCS)(OCC)OCC 169746774 DCQBZYNUSLHVJC-UHFFFAOYSA-N 238.425 2.355 50 50 BEGA in-vitro Cn1nc(N=C=O)cc1-c1c(F)cccc1F 828332095 PYBVOWLFXYATJF-UHFFFAOYSA-N 235.193 2.333 50 50 BEGA O=C(CCl)N1CC(F)(F)CC2(CCC2)C1 1875370355 LPWMHVKYIDRVDO-UHFFFAOYSA-N 237.677 2.263 50 50 BEGA CCCCNC(=O)[C@@H](Br)CC 32919605 HIIBXFFZNSTIGF-ZETCQYMHSA-N 222.126 2.076 50 50 BEGA OB(O)c1ccc2c3c(cccc13)-c1ccccc1-2 169745273 LDPCTBXVSGTSNJ-UHFFFAOYSA-N 246.074 2.167 50 50 BEGA in-vitro Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Cl 13997756 FERPFSWSQHPEQO-SSDOTTSWSA-N 242.662 2.469 50 50 BEGA COc1ccc(N=C=O)cc1Br 38074154 KTFUODBECRKEIE-UHFFFAOYSA-N 228.045 2.425 50 50 BEGA O=C(CCl)N1CC[C@H]1c1cccc(F)c1 1253967750 BKVVGXZSQIJFMI-JTQLQIEISA-N 227.666 2.338 50 50 BEGA C[C@H](Cl)C(=O)N[C@H]1CCc2cc(C#N)ccc21 1875377311 BRYFPDPOJWYMPP-UFBFGSQYSA-N 248.713 2.289 50 50 BEGA ClCc1cn(Cc2ccccc2)nn1 9471318 VDEJEUQPCJMKBP-UHFFFAOYSA-N 207.664 2.065 50 50 BEGA CC[C@@](C)(OO)OO[C@](C)(CC)OO 17263663 WFUGQJXVXHBTEM-OCAPTIKFSA-N 210.226 2.166 50 50 BEGA CC1(C)OB(CBr)OC1(C)C 169747765 KBGMAXNDJAGTDD-UHFFFAOYSA-N 220.903 2.013 50 50 BEGA in-vitro O=C(CCl)N1CCc2cc(F)cc(F)c21 1875364844 VTGYAMMWYYLXHA-UHFFFAOYSA-N 231.629 2.093 50 50 BEGA O=C(CCl)c1ccc(O)c(Cl)c1 39055406 YCAQBCPDPOPUMU-UHFFFAOYSA-N 205.040 2.467 50 50 BEGA C[C@H](Cl)C(=O)NCC1(C2CC2)CCC1 391471042 LNJRNSOVGSCEMT-QMMMGPOBSA-N 215.724 2.310 50 50 BEGA C[C@]1(COC(=O)CCl)C[C@H]2C=C[C@H]1C2 101093663 NAVLRXJHMYVFAW-ATZCPNFKSA-N 214.692 2.371 50 50 BEGA OB(O)c1cccc(-c2cccc3ccccc23)c1 169744802 HFXYUCJLQZCNPD-UHFFFAOYSA-N 248.090 2.187 50 50 BEGA in-vitro CC1=CC[C@@]23CCCC[C@@]2(C1)C(=O)OC3=O 101045879 MIIHEIYLTNDTGU-CHWSQXEVSA-N 220.268 2.357 50 50 BEGA O=C(Cl)CC(=O)Cc1ccccc1F 263624054 NANMBZPVFNBCGX-UHFFFAOYSA-N 214.623 2.093 50 50 BEGA Cc1ccccc1NC(=O)NCCCl 1592639 JWZRJELOQYZYDW-UHFFFAOYSA-N 212.680 2.355 50 50 BEGA C[C@H](Cl)C(=O)NC[C@H]1CCOC2(CCC2)C1 1875375465 CEAGGLXQEKXDSM-UWVGGRQHSA-N 245.750 2.079 50 50 BEGA BrC1CCC2(CC1)OCCO2 34144304 JCWBPQVTECHCIP-UHFFFAOYSA-N 221.094 2.067 50 50 BEGA in-vitro O=C(N/N=C/c1ccc(O)cc1)c1ccccc1 130731 SOGSNJSJOSFZAI-XNTDXEJSSA-N 240.262 2.156 50 50 BEGA NC(=O)N/N=C/C1=C(Cl)c2ccccc2CC1 43761457 JXVDMGZJGOJEFN-VIZOYTHASA-N 249.701 2.237 50 50 BEGA Cc1cccc(NC(=O)NCC(Cl)Cl)n1 583651565 PAYTTWYLHTYZGQ-UHFFFAOYSA-N 248.113 2.315 50 50 BEGA O=C(NN=C1CCCCC1)c1cc(O)cc(O)c1 288623 RTOXGOMNIWQLLV-UHFFFAOYSA-N 248.282 2.148 50 50 BEGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Cl 33434048 IKYPKKNPZHHIJS-ZCFIWIBFSA-N 229.619 2.128 50 50 BEGA O=c1cc(CCl)c2ccc(O)cc2o1 148138 TXSLBPGPBNGHRW-UHFFFAOYSA-N 210.616 2.237 50 50 BEGA biogenic,in-vitro BrCc1cccc2c1OCCO2 39773628 UUZNNLAGACPGPQ-UHFFFAOYSA-N 229.073 2.353 50 50 BEGA in-vitro O=C1OC(=O)c2c(Cl)ccc(Cl)c21 100034305 HEGLMCPFDADCAQ-UHFFFAOYSA-N 217.007 2.304 50 50 BEGA CCCC/C(C)=N/NC(=O)[C@H](O)c1ccccc1 4997131 GADIIYZGIQCTOZ-WDGDVPDHSA-N 248.326 2.402 50 50 BEGA O=c1cc(CCl)[nH]c2c(F)cccc12 15423006 UCPTYOSWWVWFAC-UHFFFAOYSA-N 211.623 2.406 50 50 BEGA in-vitro C[C@H](Br)C(=O)[C@H](C)Br 5224879 UOPIOAUZQKSZRO-IMJSIDKUSA-N 243.926 2.122 50 50 BEGA Nc1ccc(-c2noc(CCl)n2)cc1 12649222 OJARUJXBQHAORJ-UHFFFAOYSA-N 209.636 2.058 50 50 BEGA in-vitro CCOC(=O)c1ccc(CBr)nc1 44154632 LPVLWROJDKJMST-UHFFFAOYSA-N 244.088 2.153 50 50 BEGA in-vitro CC(=O)Nc1ccc(C(=O)CCl)cc1 1587586 VMMDOCYDNRLESP-UHFFFAOYSA-N 211.648 2.067 50 50 BEGA in-vitro CC#Cc1ccc(C#CC#C[C@H](O)CCl)s1 13386495 OPRUYGQNFDVQFL-NSHDSACASA-N 248.734 2.074 50 50 BEGA biogenic CCOC(=O)c1ccccc1NC(=O)CCl 1671448 XTGWPJKSHKMRJJ-UHFFFAOYSA-N 241.674 2.041 50 50 BEGA COC(=O)c1ccc(CCBr)cc1 39042559 HNNUQHJWFIPTLJ-UHFFFAOYSA-N 243.100 2.411 50 50 BEGA in-vitro O=C(Cl)c1ccnc(C(F)(F)F)c1 238566212 SFBALPFIDJFDIW-UHFFFAOYSA-N 209.554 2.479 50 50 BEGA CC(=O)Nc1ccc(NC(=O)[C@@H](C)Cl)cc1 3289349 ZZPGHQKTWNRUJS-SSDOTTSWSA-N 240.690 2.211 50 50 BEGA O=C(CCCl)N[C@@H]1CCCC[C@H]1Cl 5494865 LBEMAZKONHSRED-HTQZYQBOSA-N 224.131 2.282 50 50 BEGA C[C@H](Cl)C(=O)N[C@H]1COCc2ccccc21 1875377169 AMNJEZKYSLTXCH-KWQFWETISA-N 239.702 2.001 50 50 BEGA Cc1ncc(NC(=O)[C@H](C)Cl)c(C2CC2)n1 1875377701 LMSYWOJTCRWPKF-LURJTMIESA-N 239.706 2.228 50 50 BEGA O=C([C@H](F)Cl)N1CC[C@H]2CC[C@@H](C1)S2 2325898762 YZNQJSBKBKEIHG-CSMHCCOUSA-N 237.727 2.017 50 50 BEGA COC(=O)N/N=C(C)/C=C/c1ccccc1 12350262 KRXJGXIYKHYTOD-PEGOPYGQSA-N 218.256 2.432 50 50 BEGA Cc1cccc(C(=O)N/N=C/c2ccoc2)c1 14015870 DFINPYZFMGDNEW-RIYZIHGNSA-N 228.251 2.352 50 50 BEGA CC(C)C(=O)NNc1nc2ccccc2s1 440147 ZSOAAYBGYBKTRR-UHFFFAOYSA-N 235.312 2.395 50 50 BEGA C[C@H](Cl)C(=O)N[C@@H]1CCCC[C@H]1C 238856711 WYGRWDASSJWJGQ-HRDYMLBCSA-N 203.713 2.309 50 50 BEGA in-vitro CC(C)c1ccc(/C=C(/C#N)C(N)=O)cc1 122654 STAHPAJGOXCHLT-GHXNOFRVSA-N 214.268 2.202 50 50 BEGA COC(=O)c1ccccc1NC(=O)[C@@H](C)Cl 20206565 VGGTWLRWWCYXEU-SSDOTTSWSA-N 241.674 2.039 50 50 BEGA OB(O)c1ccc2cc(-c3ccccc3)ccc2c1 169744816 XDKCHGWZDWHBQO-UHFFFAOYSA-N 248.090 2.187 50 50 BEGA Cc1cccnc1C(C)(C)CNC(=O)CCl 1875366087 KMMCDGHDZBWOHA-UHFFFAOYSA-N 240.734 2.023 50 50 BEGA BrCCOCCOc1ccccc1 2894688 FETWVQRXLBDILP-UHFFFAOYSA-N 245.116 2.477 50 50 BEGA in-vitro C[C@@H]1C/C(=N\NC(N)=O)[C@H]2CCCC[C@@H]2S1 22015806 PQZMAJJYFSMMMN-SXJNVZJYSA-N 241.360 2.095 50 50 BEGA Oc1ccc(-c2noc(CCl)n2)cc1 100006912 XSMCWQFRZFCVAM-UHFFFAOYSA-N 210.620 2.181 50 50 BEGA in-vitro O=C(N[C@H]1CC[C@H]2CC[C@H]1C2)[C@H](F)Cl 2325898421 BFWHPNOCUIGKCX-XGEHTFHBSA-N 219.687 2.216 50 50 BEGA O[C@H](CBr)c1ccccc1 4071989 DAHHEUQBMDBSLO-MRVPVSSYSA-N 201.063 2.115 50 50 BEGA biogenic,in-vitro C[C@](CCl)(CBr)[n+]1ccccc1 5534686 YOSURJDAANKBIP-SECBINFHSA-N 249.559 2.323 50 50 BEGA COC(=O)c1ccccc1NC(=O)[C@H](C)Cl 20206569 VGGTWLRWWCYXEU-ZETCQYMHSA-N 241.674 2.039 50 50 BEGA Cn1nc(C(F)(F)F)cc1N=C=S 71792224 NLPOEUBQRRWGMV-UHFFFAOYSA-N 207.180 2.173 50 50 BEGA Cc1cccc2ncc(C[C@H](C)Cl)c(=O)n12 332173 MOVPWYHBNGKFAA-QMMMGPOBSA-N 236.702 2.173 50 50 BEGA N#CC(C#N)=Cc1ccc(Br)o1 395951 ZTBIJDWVNPECHN-UHFFFAOYSA-N 223.029 2.473 50 50 BEGA O=S(=O)(c1ccccc1)C(Cl)Cl 1692604 KYHKXAPREQUMAE-UHFFFAOYSA-N 225.096 2.222 50 50 BEGA Cc1nc(-c2cnccn2)sc1C(=O)Cl 2582849 AURNSWQWQVJINA-UHFFFAOYSA-N 239.687 2.288 50 50 BEGA C[C@H](Cl)C(=O)N[C@H](C)CCc1cccn1C 1875364310 NNUYSQYAUGTALZ-ZJUUUORDSA-N 242.750 2.090 50 50 BEGA Nc1ccc(CCBr)cc1 2511435 WNPSMKHXUKDOBN-UHFFFAOYSA-N 200.079 2.206 50 50 BEGA in-vitro CC[C@H](Br)C(=O)NCCC(C)C 32919952 UHIXHZQDEYTIBY-QMMMGPOBSA-N 236.153 2.322 50 50 BEGA CCOC(=O)c1cccc(NC(=O)CCl)c1 1442070 GWRKWJKNWBWCPD-UHFFFAOYSA-N 241.674 2.041 50 50 BEGA O=C(CCl)Nc1c(F)c(F)cc(F)c1F 2537735 LGNJOSKDYPMJOK-UHFFFAOYSA-N 241.571 2.420 50 50 BEGA Cc1ccc([C@@H](C)NC(=O)CCl)cc1 19094416 MEROEWXZHHGWCP-SECBINFHSA-N 211.692 2.411 50 50 BEGA in-vitro OB(O)Cc1csc2ccc(Cl)cc12 170001375 MWBPHBMMBWRBIS-UHFFFAOYSA-N 226.493 2.109 50 50 BEGA Cc1ccc(NC(=O)CCl)cc1[N+](=O)[O-] 28221 VIFSOJSNZWHKLW-UHFFFAOYSA-N 228.635 2.081 50 50 BEGA O=C(O)c1ccc(NC(=O)C(Cl)Cl)cc1 292649 FELCOLZFVJIGLE-UHFFFAOYSA-N 248.065 2.127 50 50 BEGA C[S@@](=O)CCCCCCN=C=S 45283445 XQZVZULJKVALRI-LBPRGKRZSA-N 205.348 2.028 50 50 BEGA endogenous,in-man BrCCCBr 1691289 VEFLKXRACNJHOV-UHFFFAOYSA-N 201.889 2.166 50 50 BEGA in-vitro Oc1ccccc1/C=N/CCBr 101053296 HBQKSOSNRPNAEI-YRNVUSSQSA-N 228.089 2.206 50 50 BEGA Cc1noc(C)c1[C@@H](C)CNC(=O)[C@H](C)Cl 1875378304 ZFRNYLNKRUMRMG-BQBZGAKWSA-N 244.722 2.138 50 50 BEGA C[C@@H](Cc1ccccc1)NC(=O)NCCCl 5721678 RPPAYBVAKVEDBE-JTQLQIEISA-N 240.734 2.156 50 50 BEGA COc1cc(NC(=O)[C@@H](C)Cl)cc(OC)c1 3379404 YKVARERADBTJAG-SSDOTTSWSA-N 243.690 2.270 50 50 BEGA C/C(=N\NC(=O)c1cccs1)c1ccncc1 4746449 KFJHOVMZQHKPOG-NTEUORMPSA-N 245.307 2.297 50 50 BEGA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)NN 4775451 PYLNEFCRGMTUJK-OPRDCNLKSA-N 214.309 2.047 50 50 BEGA CC(C)N1CC[C@@H](CBr)C1 67425314 GETGPMUBCWOGTD-QMMMGPOBSA-N 206.127 2.112 50 50 BEGA COCC[C@@H](NC(=O)CCl)c1ccccc1 1875387199 TZMGJSQHCRWTAQ-LLVKDONJSA-N 241.718 2.119 50 50 BEGA COc1ccc(C(=O)CSC#N)c(F)c1 1908708287 BVCLYHDEPURNBQ-UHFFFAOYSA-N 225.244 2.231 50 50 BEGA CCOC(=O)/C(C#N)=C\C(Cl)(Cl)Cl 6939791 NLECJGQBYSOPHP-HYXAFXHYSA-N 242.489 2.370 50 50 BEGA COc1cccc(C(=O)NN=C2CCCC2)c1 299269 FNNQPOOFTHMHAW-UHFFFAOYSA-N 232.283 2.355 50 50 BEGA O=C1O[C@@H](Br)c2ccccc21 1690016 CLMSHAWYULIVFQ-SSDOTTSWSA-N 213.030 2.251 50 50 BEGA in-vitro CC(=O)c1ccc(NC(=O)CCCl)cc1 2243854 CFTHHVYPCUMUNT-UHFFFAOYSA-N 225.675 2.457 50 50 BEGA in-vitro O=C(O)c1ccccc1CBr 35770 QSLMPDKYTNEMFQ-UHFFFAOYSA-N 215.046 2.280 50 50 BEGA in-vitro CO[C@H]1CCN(C(=O)[C@H](F)Cl)C2(CCC2)C1 2325897632 BEFQROSKYXLXIT-IUCAKERBSA-N 249.713 2.081 50 50 BEGA CCC[C@H](C)C(=O)NNC(=O)[C@H](C)CCC 2173715 AEKJSSRPLJMRKD-AOOOYVTPSA-N 228.336 2.006 50 50 BEGA C/C=C/[C@@H](C/C=N/NC(N)=O)Cc1ccccc1 43762113 ANDAHEHTUPYFIF-NESKZWIESA-N 245.326 2.466 50 50 BEGA Cc1cccc(N(N)C(=O)C2CCC2)c1 757125882 CDSFPRPWTPLPRY-UHFFFAOYSA-N 204.273 2.002 50 50 BEGA Cc1cccc(N(N)C(=O)CC(C)C)c1 757126138 DEYWSUOYZAAQFW-UHFFFAOYSA-N 206.289 2.248 50 50 BEGA Cc1cccc(N(N)C(=O)OCC(C)C)c1 757129669 ZCIFINFCMSMJGC-UHFFFAOYSA-N 222.288 2.468 50 50 BEGA N#C/C(=C\c1ccco1)C(=O)Nc1nccs1 6829178 DXELSTWUPGIBQS-SOFGYWHQSA-N 245.263 2.282 50 50 BEGA CN(CCCCl)C(=O)OC(C)(C)C 21993549 BVGHWHRLCIXJTJ-UHFFFAOYSA-N 207.701 2.482 50 50 BEGA in-vitro O=C(Cl)c1csc(Br)n1 167238843 HHXJKWKFSZIEFL-UHFFFAOYSA-N 226.482 2.285 50 50 BEGA Cc1cc(C(=O)N/N=C/C=C/c2ccco2)no1 2110949 KPBZAKNSMIHRKM-SJBFCETESA-N 245.238 2.005 50 50 BEGA OB(O)c1ccc(-c2ccccc2)c2ccccc12 169744812 BSKLSKWOKGVQHF-UHFFFAOYSA-N 248.090 2.187 50 50 BEGA in-vitro C[C@@]1(c2cccs2)C[C@H]1CNC(=O)CCl 1875364647 PJOYNABDVMEZTF-GZMMTYOYSA-N 243.759 2.381 50 50 BEGA Cc1ccc(CNC(=O)CBr)cc1 41690562 PTJHOIFFMIPRCL-UHFFFAOYSA-N 242.116 2.006 50 50 BEGA C[C@@H](Cl)C(=O)Nc1ccc(F)cc1 3887322 WIDIGWZTSCBRNS-ZCFIWIBFSA-N 201.628 2.392 50 50 BEGA in-vitro N#C[C@@H](O)c1ccccc1Br 100911637 BJJDHOPCQJHYQH-MRVPVSSYSA-N 212.046 2.006 50 50 BEGA O=C(NNc1ccccc1F)[C@H]1C[C@@H]1C1CC1 152930751 RBIGHFNINCLZJM-ZJUUUORDSA-N 234.274 2.315 50 50 BEGA CCN(C(=O)CCl)[C@@H](C)C(F)(F)F 1875391564 CAVJRCSCWNUNGA-YFKPBYRVSA-N 217.618 2.025 50 50 BEGA Cc1cncc(N2CCC[C@@H](CCl)C2)n1 14989038 DTVYKEHYUMEUFH-JTQLQIEISA-N 225.723 2.240 50 50 BEGA in-vitro NN(C(=O)OCC(F)(F)F)c1ccccc1 757129016 SHKIUTMDNBMLBC-UHFFFAOYSA-N 234.177 2.066 50 50 BEGA COc1cccc(NC(=O)CBr)c1 5745988 JWGUWIRYYZPGHM-UHFFFAOYSA-N 244.088 2.029 50 50 BEGA Cc1ccc(NC(=O)CCl)c2[nH]ncc12 1253963423 ROADYOGVUPUPES-UHFFFAOYSA-N 223.663 2.049 50 50 BEGA CCO[C@@H](C)OCCCBr 5860641 OGVSYCZHGUMILG-SSDOTTSWSA-N 211.099 2.171 50 50 BEGA CC(C)c1cc(C(=O)NN)c(O)c(C(C)C)c1 5911501 IDDGEJHEWXTBNR-UHFFFAOYSA-N 236.315 2.243 50 50 BEGA O=C1ON=C(CCl)/C1=C\c1ccsc1 34926724 SHTNNXPVXDBFAB-XVNBXDOJSA-N 227.672 2.283 50 50 BEGA COc1cc(CCl)c2c(c1OC)C(=O)OC2 39249337 AHWVGGSUPOUZPQ-UHFFFAOYSA-N 242.658 2.113 50 50 BEGA in-vitro O=S1(=O)C[C@]23CC=CC[C@@]2(CC3)[C@@H]1Cl 216339963 PGYMHWHBBBQCOG-OPRDCNLKSA-N 232.732 2.096 50 50 BEGA COc1cc(F)cc(C(=O)CCl)c1 307099689 SCQJMPPWBOUTFJ-UHFFFAOYSA-N 202.612 2.256 50 50 BEGA O=C(O)c1cccc(-c2noc(CCl)n2)c1 40379441 AANSZKTWZSNNQT-UHFFFAOYSA-N 238.630 2.174 50 50 BEGA CCCOC(=O)N(N)c1cccc(C)c1 757127547 LJNFYWZRLHTRCR-UHFFFAOYSA-N 208.261 2.222 50 50 BEGA O=C(CCl)NCCOc1ccc(Cl)cc1 6668301 QNUCQOGPLCNZNB-UHFFFAOYSA-N 248.109 2.074 50 50 BEGA O=C(Cl)c1ccc(C(F)(F)F)cn1 30715018 XGGHEBGOZWCTKF-UHFFFAOYSA-N 209.554 2.479 50 50 BEGA in-vitro O=C(CCl)N[C@@H](C1CCC1)C(F)(F)F 1875375026 ONKNWWYKOMLCGU-ZETCQYMHSA-N 229.629 2.072 50 50 BEGA O=C(CCCl)N1CCc2ccccc21 2565697 LKCAABJNTGSTHY-UHFFFAOYSA-N 209.676 2.205 50 50 BEGA in-vitro C[C@H](Cl)C(=O)N1CCc2ccccc21 2650152 DLXVQAFCFXWGFM-QMMMGPOBSA-N 209.676 2.203 50 50 BEGA in-vitro Cc1ccc(NC(=O)CCl)c(F)c1 3379386 IBKBFGVIPJJEPB-UHFFFAOYSA-N 201.628 2.311 50 50 BEGA in-vitro CC(C)(C)C1CCC(=NNC(N)=O)CC1 5495977 YJHJPZOHGBLPPQ-UHFFFAOYSA-N 211.309 2.247 50 50 BEGA O=C(Cl)c1cc(F)c([N+](=O)[O-])cc1F 67800094 DCFRYHJISLSBPS-UHFFFAOYSA-N 221.546 2.252 50 50 BEGA CC(C)(C)[Si](C)(C)OC[C@@H]1OC=C[C@@H]1O 169834517 UHHRNZMLENNIIS-UWVGGRQHSA-N 230.380 2.282 50 50 BEGA COc1ccc(C(=O)Cl)cc1OC 2140814 VIOBGCWEHLRBEP-UHFFFAOYSA-N 200.621 2.083 50 50 BEGA in-vitro CC(=O)N/N=C(\C)c1cc(C)c(C)cc1C 4955543 NEIMEVVUWMYWMN-SDNWHVSQSA-N 218.300 2.472 50 50 BEGA Cc1ccc(OCC(=O)Cl)c([N+](=O)[O-])c1 40451328 CJUNFCXRVIQKPF-UHFFFAOYSA-N 229.619 2.047 50 50 BEGA C[C@H](Cl)C(=O)N[C@H]1CCCC[C@H]1C 238856713 WYGRWDASSJWJGQ-VGMNWLOBSA-N 203.713 2.309 50 50 BEGA in-vitro O=C(CCl)NC[C@@H]1CC[C@H](C(F)(F)F)C1 1875376814 JGTIBKRUAWWMEN-RQJHMYQMSA-N 243.656 2.320 50 50 BEGA CCC(CC)C(=O)NNC(=O)c1ccccc1C 2865118 VQYUEVHJLHQDMQ-UHFFFAOYSA-N 248.326 2.192 50 50 BEGA Cc1nnc(NC(=O)C(C)(C)CCl)s1 20206349 DBDQNDWIGUPMIJ-UHFFFAOYSA-N 233.724 2.050 50 50 BEGA O=C1Cc2cc(CCCCl)ccc2N1 144161118 HESAUDVOEDNIKE-UHFFFAOYSA-N 209.676 2.353 50 50 BEGA C[C@H]1C[C@H](C)N(C(=O)CCl)[C@H](C)C1 257355751 CMIVKCKUCDZKCN-PSVAKVPMSA-N 203.713 2.261 50 50 BEGA O=c1c2ccccc2ncn1CCCCl 2024821 VXFMVXXDUMDBFR-UHFFFAOYSA-N 222.675 2.025 50 50 BEGA CN(C)c1ccc(NC=C(C#N)C#N)cc1 2550049 CPZFXQVWIMDTMW-UHFFFAOYSA-N 212.256 2.096 50 50 BEGA CCN(C(=O)CCl)C1CCCCC1 3276928 CUTKXXKVSDIVMV-UHFFFAOYSA-N 203.713 2.406 50 50 BEGA N#Cc1cc(Br)ccc1N=C=O 21951030 GYHCBYZXASLPMS-UHFFFAOYSA-N 223.029 2.288 50 50 BEGA in-vitro O=C(Cl)/C=C/c1ccc2c(c1)OCO2 39199382 WBJQTHIVYWAEDD-DUXPYHPUSA-N 210.616 2.194 50 50 BEGA in-vitro COC(=O)c1cccc(CBr)c1 167040 YUHSMQQNPRLEEJ-UHFFFAOYSA-N 229.073 2.368 50 50 BEGA CC1(C)CC(N=C=S)CC(C)(C)N1[O] 100027611 BKENZAFIBRCMKD-UHFFFAOYSA-N 213.326 2.456 50 50 BEGA C#C[C@@H](NC(=O)CCl)[C@@H]1CCc2ccccc21 1875377286 BLOGYKYDCGGFEV-CHWSQXEVSA-N 247.725 2.073 50 50 BEGA Cc1occc1C(=O)N/N=C/c1ccccc1 249430 KNUDMTRUPPNNOA-NTEUORMPSA-N 228.251 2.352 50 50 BEGA C[C@@](CCl)(CBr)[n+]1ccccc1 5530867 YOSURJDAANKBIP-VIFPVBQESA-N 249.559 2.323 50 50 BEGA C/C(=N\NC(N)=O)c1cccc(C(F)(F)F)c1 6312285 DZATUGRJMFZZBW-GIDUJCDVSA-N 245.204 2.098 50 50 BEGA ClCc1nc2ccc3nsnc3c2[nH]1 6557479 OAMQHRMUDUNEID-UHFFFAOYSA-N 224.676 2.306 50 50 BEGA CC/C(=N\NC(=O)OC(C)(C)C)NC1CCC1 43769324 LKFXZAXNXLLGIT-UHFFFAOYSA-N 241.335 2.377 50 50 BEGA C[C@@H](Cl)C(=O)NCc1nc(C2CC2)cs1 1875364563 NYPKHACQUQBLAV-ZCFIWIBFSA-N 244.747 2.264 50 50 BEGA CCOC(=O)/C(C#N)=C\c1cccc([N+](=O)[O-])c1 4456786 BUEJQBJZGAURKT-POHAHGRESA-N 246.222 2.065 50 50 BEGA CN(C(=O)CCl)c1ccccc1F 41210915 UQXGYJKYCAUGGM-UHFFFAOYSA-N 201.628 2.027 50 50 BEGA in-vitro Oc1cccc(CBr)c1F 238723924 YFYSXGJUYBTEIK-UHFFFAOYSA-N 205.026 2.426 50 50 BEGA CC1=C(C#N)C(c2cccnc2)C(C#N)=C(C)N1 406053 HQRBSQHVTZZIRC-UHFFFAOYSA-N 236.278 2.364 50 50 BEGA ClCCCI 1690061 SFOYQZYQTQDRIY-UHFFFAOYSA-N 204.438 2.050 50 50 BEGA in-vitro O=C(CCl)NC[C@H]1CC[C@H](C(F)(F)F)C1 1875376811 JGTIBKRUAWWMEN-BQBZGAKWSA-N 243.656 2.320 50 50 BEGA OB(O)c1ccc2ccc3cccc4ccc1c2c34 169744810 MWEKPLLMFXIZOC-UHFFFAOYSA-N 246.074 2.264 50 50 BEGA in-vitro C[C@@H](Cl)C(=O)NCC[C@@H]1C[C@@H]2C=C[C@H]1C2 1875375534 CXMSFKYGASOJLT-CHWFTXMASA-N 227.735 2.332 50 50 BEGA CCOC(=O)/C(C#N)=C/c1[nH]c(C)c(C)c1C 1617900 PRJZXMSNUFKGEZ-IZZDOVSWSA-N 232.283 2.410 50 50 BEGA O=C(CCl)c1ccc(O)c2ncccc12 49582030 DJMNIRANZDQCCJ-UHFFFAOYSA-N 221.643 2.362 50 50 BEGA CC(C)=C[C@@H]1C=C(C)[C@H](C)[C@H]2C(=O)OC(=O)[C@@H]12 252516731 WGCKYCGUJYPRCV-QCNOEVLYSA-N 234.295 2.481 50 50 BEGA biogenic O=C(O)c1ccc(OCCBr)cc1 1603668 ADGSEDROJNHXDK-UHFFFAOYSA-N 245.072 2.159 50 50 BEGA COc1ccc(C=C(C#N)C#N)c(F)c1 139241250 BVFHFXKZGCNHHS-UHFFFAOYSA-N 202.188 2.265 50 50 BEGA O=C(CCl)Nc1cc(C(F)(F)F)ccn1 2325903723 DVILODWOPBFGNU-UHFFFAOYSA-N 238.596 2.278 50 50 BEGA O=P(c1ccccc1)(c1ccccc1)N1CC1 3124417 XBDGFRDNSRXZJZ-UHFFFAOYSA-N 243.246 2.231 50 50 BEGA BrCC1(c2ccccc2)COC1 95630825 JNNDGQVKKXMSRB-UHFFFAOYSA-N 227.101 2.350 50 50 BEGA CC(C)(C)[Si](C)(C)OC[C@@H]1CCC(=O)N1 169748366 NUPOYZPOLQAMAK-VIFPVBQESA-N 229.396 2.287 50 50 BEGA in-vitro O=C(CCl)N1CC=C(c2ccccc2F)C1 1875374786 FDHKTDKQNXEJCN-UHFFFAOYSA-N 239.677 2.290 50 50 BEGA COc1ccc(-c2n[nH]c(N)c2SC#N)cc1 2325809650 UMAGWNYQDJKWCM-UHFFFAOYSA-N 246.295 2.241 50 50 BEGA CO[Si](CCc1ccccc1)(OC)OC 170160603 UBMUZYGBAGFCDF-UHFFFAOYSA-N 226.348 2.107 50 50 BEGA in-vitro Nc1c(CCl)ccnc1C(F)(F)F 238664784 WILPJBMWHIJKRZ-UHFFFAOYSA-N 210.586 2.421 50 50 BEGA CN(C(=O)CCl)[C@H]1C[C@@H]1c1ccccc1 1875364739 SCSBCFKXLCJKGA-MNOVXSKESA-N 223.703 2.240 50 50 BEGA O=C(NCCCl)N[C@@H]1CCCC[C@@H]1Cl 4897603 ZRESKLJYSGQVEZ-JGVFFNPUSA-N 239.146 2.074 50 50 BEGA COC(=O)c1c(N)sc(/C(C)=C/C#N)c1C 143051 GBRLJASBMJWAOD-GQCTYLIASA-N 236.296 2.352 50 50 BEGA O=C(NN=C1CCCC1)c1ccccc1 254724 URIUOWGGBXGZKZ-UHFFFAOYSA-N 202.257 2.346 50 50 BEGA O=C(Cl)c1cc(Cl)nc(Cl)n1 12504980 NUYJCMGJLNVOML-UHFFFAOYSA-N 211.435 2.162 50 50 BEGA Cc1cccc(NC(=O)CBr)c1 1655499 FSQVBULEPAWPNF-UHFFFAOYSA-N 228.089 2.328 50 50 BEGA in-vitro CC(C)(C)[Si](C)(C)OC[C@H]1CCC(=O)N1 169747432 NUPOYZPOLQAMAK-SECBINFHSA-N 229.396 2.287 50 50 BEGA in-vitro O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C[C@H]2[C@H](c2ccccc2)C1 200263303 QVZKCYULUXLGPJ-QNWJLWSRSA-N 242.274 2.126 50 50 BEGA Cc1ccccc1C(=O)NCCCCl 2025938 NKQRWGZEJITGBT-UHFFFAOYSA-N 211.692 2.354 50 50 BEGA O=S(=O)(CCl)CCCc1ccccc1 45069236 QIRKQNAEZRTFLY-UHFFFAOYSA-N 232.732 2.230 50 50 BEGA CCC(=O)NNc1ccc(Br)cc1 249623 QJWLIGNFPMIGKX-UHFFFAOYSA-N 243.104 2.302 50 50 BEGA biogenic CC[C@H](Br)C(=O)N1CCC[C@H](C)C1 32919734 HFLVSAVEBWENNL-IUCAKERBSA-N 248.164 2.418 50 50 BEGA in-vitro Cc1cccc(C(=O)NNc2ccccc2F)n1 153235343 CQIDGCBLQFWLOG-UHFFFAOYSA-N 245.257 2.286 50 50 BEGA COC(=O)c1scc(C)c1NC(=O)CCl 3179981 YUVKYHLYLVTJEN-UHFFFAOYSA-N 247.703 2.020 50 50 BEGA CC(=O)O/N=C1/C(C)=C(C#N)[C@H]2[C@H]1C2(C)C 102728762 YGSGVWNRWQKRTK-NCPNGGJUSA-N 218.256 2.031 50 50 BEGA O[C@@H](CBr)c1ccc(F)cc1 34529803 BLCAVFHRXRACAU-QMMMGPOBSA-N 219.053 2.254 50 50 BEGA N#CC(C#N)=C1SCC(=O)N1c1ccccc1 1106186 MERHVCUWAUOYPY-UHFFFAOYSA-N 241.275 2.025 50 50 BEGA O=c1cc(CCl)[nH]c2ccc(F)cc12 8732762 WOUTVCQBWINSSK-UHFFFAOYSA-N 211.623 2.406 50 50 BEGA in-vitro C[C@H]1Cc2ccc(F)cc2[C@@H]1NC(=O)CCl 1875364179 IOIQRHVZIILYNW-JVXZTZIISA-N 241.693 2.414 50 50 BEGA CC12CC3(C)CC(C)(C1)CC(C(=O)NN)(C2)C3 4750666 WQISOVSDRNHPJG-UHFFFAOYSA-N 236.359 2.363 50 50 BEGA CC(C)c1nc(CBr)no1 81947244 MIBHNBZCYPLNDE-UHFFFAOYSA-N 205.055 2.088 50 50 BEGA in-vitro BrCc1cccc2[nH]ncc12 89196313 WORQNQLPVDFTKX-UHFFFAOYSA-N 211.062 2.458 50 50 BEGA Cc1cc([N+](=O)[O-])ccc1NC(=O)CCCl 5750050 IBEFTICNLGVBDF-UHFFFAOYSA-N 242.662 2.471 50 50 BEGA OCc1ccc(CBr)cc1 26893532 RDHSYXFAOVTAEH-UHFFFAOYSA-N 201.063 2.074 50 50 BEGA in-vitro BrCc1ccc2nonc2c1 158673 BUJFLTNYWUEROF-UHFFFAOYSA-N 213.034 2.118 50 50 BEGA in-vitro Cc1cc(/C=N/NC(N)=O)c(C)c(CCl)c1 2771206 STNVMUPMECVNHJ-MKMNVTDBSA-N 239.706 2.044 50 50 BEGA NC(=O)N/N=C1\CCCC[C@@H]1c1ccccc1 13549296 BBIHIZCFMJJKBA-UAKDJOGKSA-N 231.299 2.369 50 50 BEGA ClC(Br)Br 8437793 GATVIKZLVQHOMN-UHFFFAOYSA-N 208.280 2.299 50 50 BEGA in-man N#CC(C#N)=CNC1C2CC3CC(C2)CC1C3 170598328 KCJHWYZWKNJCEP-UHFFFAOYSA-N 227.311 2.332 50 50 BEGA N=C1NC(c2ccccc2)=N[C@@H]1C(Cl)Cl 1857800250 ZROKAIXBVVTMFC-SSDOTTSWSA-N 242.109 2.186 50 50 BEGA C#C[C@@H](NC(=O)CCl)[C@H]1CCc2ccccc21 1875377290 BLOGYKYDCGGFEV-QWHCGFSZSA-N 247.725 2.073 50 50 BEGA C[C@@H](Cl)C(=O)NCc1ccnc(C2CC2)c1 1875377780 NKYUHQRWEJEVQJ-MRVPVSSYSA-N 238.718 2.203 50 50 BEGA C[C@@H](Cl)c1nc2ccccc2c(=O)[nH]1 2661388 RVKAESVOOUVGKF-ZCFIWIBFSA-N 208.648 2.223 50 50 BEGA in-vitro CNc1ccccc1C(=O)N/N=C/c1ccco1 3091597 SJVYIRKYEWNSNJ-OQLLNIDSSA-N 243.266 2.085 50 50 BEGA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)NN 16892498 PYLNEFCRGMTUJK-BBBLOLIVSA-N 214.309 2.047 50 50 BEGA CC#CC#Cc1ccc(C#C[C@@H](O)CCl)s1 13386440 YSYBCKHAFOAQDX-LLVKDONJSA-N 248.734 2.074 50 50 BEGA biogenic Cc1noc(C)c1[C@H](C)CNC(=O)[C@@H](C)Cl 1875378306 ZFRNYLNKRUMRMG-RNFRBKRXSA-N 244.722 2.138 50 50 BEGA CCOC(=O)/C(C#N)=C/c1cccs1 71332 RULXBTAXOUSEDI-SOFGYWHQSA-N 207.254 2.218 50 50 BEGA CCOC(=O)c1[nH]c(CCl)c(C(C)=O)c1C 76517 JHSUKDARMKBUFX-UHFFFAOYSA-N 243.690 2.441 50 50 BEGA COC(=O)c1ccc(OC(=O)Cl)cc1 404787 PPVBQEZMYRAXPV-UHFFFAOYSA-N 214.604 2.211 50 50 BEGA in-vitro C[C@]12CCC(=O)[C@@H](Br)[C@@H]1CCC2=O 34226913 LYXZMWUBUGPEMB-JUWDTYFHSA-N 245.116 2.098 50 50 BEGA O=S1(=O)C[C@]23CCCC[C@]2(CC3)[C@H]1Cl 45070022 BJJXKSWXELLVLY-AEJSXWLSSA-N 234.748 2.320 50 50 BEGA Br[C@@H]1C=C[C@H](Br)C1 111334553 AKAJVSSDORNOIX-SYDPRGILSA-N 225.911 2.473 50 50 BEGA CCOC(=O)/C(C#N)=C1\CC(C)(C)OC1(C)C 384037973 MJCDVODVJZLLRR-MDZDMXLPSA-N 237.299 2.347 50 50 BEGA CSc1ccc(NC(=O)NN(C)C)cc1 2167323 UPFJUGSIPPAGSX-UHFFFAOYSA-N 225.317 2.007 50 50 BEGA Cc1cc(C)n(C(=O)CCCCl)n1 3164187 WLJUHTRGMIXJKB-UHFFFAOYSA-N 200.669 2.159 50 50 BEGA O=C(CCl)O[C@H]1C=C[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]21 104305633 CIVSQZHBFCCJGV-GOVZDWNOSA-N 224.687 2.145 50 50 BEGA CC(C)(C)[Si](C)(C)O[C@@H]1CCNC1 196059142 SDLGKSBUCUJCRU-SECBINFHSA-N 201.386 2.370 50 50 BEGA in-vitro C[C@@]1(CCl)CN(Cc2ccccc2)C1=O 950757464 HLBMORWTAOTEJH-GFCCVEGCSA-N 223.703 2.274 50 50 BEGA CO[C@@H]1CCN(C(=O)[C@H](F)Cl)C2(CCC2)C1 2325897630 BEFQROSKYXLXIT-BDAKNGLRSA-N 249.713 2.081 50 50 BEGA CN1C=CC=C/C1=C/C=C/C=C(C#N)C#N 685944760 VRBKHIWOEIGBOM-VNDCTRHZSA-N 209.252 2.415 50 50 BEGA CC1(C)[C@@H]2C[C@@H]1C[C@H](Br)C2=O 169390954 UMWRVSJOZMFMLA-QYNIQEEDSA-N 217.106 2.385 50 50 BEGA O=C(NCCCl)N[C@H]1CCCC[C@H]1Cl 1751970 ZRESKLJYSGQVEZ-SFYZADRCSA-N 239.146 2.074 50 50 BEGA CCn1ncc(Cn2cc(N=C=S)cn2)c1C 2537803 YXDUDBBNROLGRX-UHFFFAOYSA-N 247.327 2.191 50 50 BEGA O=C1ON=C(CCl)/C1=C\c1ccccc1 34926699 BTQCQXBKIFZOCS-RMKNXTFCSA-N 221.643 2.222 50 50 BEGA O=C(NC1CCC1)Oc1ccc([N+](=O)[O-])cc1 1565504911 FXHRXRLXNROVCL-UHFFFAOYSA-N 236.227 2.236 50 50 BEGA CCCN(CCC)C(=O)[C@@H](C)Br 2042547 GLOMSEVXSMRTPG-MRVPVSSYSA-N 236.153 2.418 50 50 BEGA O=C1CC[C@H](CCl)N1Cc1ccccc1 2569603 BRRQAOCSBBICOV-LLVKDONJSA-N 223.703 2.416 50 50 BEGA O=C(COc1ccccc1)NN=C1CCCC1 284592 INYCMMUZGHRKOO-UHFFFAOYSA-N 232.283 2.112 50 50 BEGA O=C(NN=C1CCCC1)c1ccccc1O 294498 IHEMBCPCLDZDBM-UHFFFAOYSA-N 218.256 2.052 50 50 BEGA CC(C)CC(=O)N/N=C/c1ccc(N(C)C)cc1 294453 WMOAOOWWLULXMW-XNTDXEJSSA-N 247.342 2.249 50 50 BEGA Oc1ccc(CCBr)cc1 5840554 DYYVTFCYVZEQDG-UHFFFAOYSA-N 201.063 2.330 50 50 BEGA in-vitro Cc1csc(NC(=O)[C@H](C)Cl)n1 13609283 VYSWTGSZRCDFSD-YFKPBYRVSA-N 204.682 2.017 50 50 BEGA C/C(=N\NC(=O)[C@@H]1[C@H]2CCCC[C@H]21)C1CC1 253390518 RPHUYGUHIPAXGD-PBAJXUBZSA-N 220.316 2.325 50 50 BEGA O=C(NNc1ccccc1)NNc1ccccc1 61039 KSPIHGBHKVISFI-UHFFFAOYSA-N 242.282 2.340 50 50 BEGA biogenic,in-vitro CCOC(=O)N/N=C/c1c[nH]c2ccccc12 172007 VBGDKFQXGPPXFG-RIYZIHGNSA-N 231.255 2.248 50 50 BEGA CC(=O)N/N=C/c1ccc(C(C)C)cc1 258906 KATHQDXALUNWLI-MDWZMJQESA-N 204.273 2.280 50 50 BEGA O=C(N/N=C/c1ccccc1)c1ccc(O)cc1 260317 PWVDBKBNJKXCCS-XNTDXEJSSA-N 240.262 2.156 50 50 BEGA C[C@H](Br)C(=O)N1CCCCCC1 32920018 NYZCLWFRNWNHCT-QMMMGPOBSA-N 234.137 2.172 50 50 BEGA in-vitro CCOC(=O)/C(C#N)=C/c1ccccc1OC 1045204 LXZSBCQFZFCBFP-DHZHZOJOSA-N 231.251 2.165 50 50 BEGA NNC(=O)Nc1ccc(Oc2ccccc2)cc1 2168517 KEOWAERQEVKDEB-UHFFFAOYSA-N 243.266 2.474 50 50 BEGA Cc1ccc(C(=O)N/N=C\c2ccccc2)o1 32608622 PEELHVWCTMJHQY-ZROIWOOFSA-N 228.251 2.352 50 50 BEGA Cc1ccc(N(N)C(=O)C(C)(C)C)cc1 757127535 LAGYRDUKTOOALB-UHFFFAOYSA-N 206.289 2.248 50 50 BEGA C/C=C/C=N/NC(=O)Nc1ccccc1 1875391860 NOSSILBWBVKUER-BJFRITFKSA-N 203.245 2.370 50 50 BEGA C/C(=N\NC(N)=O)[C@@H]1C[C@@]1(C)C(C)(C)C 4947761 CKQDLWSKFIVAEJ-GQNAQIJYSA-N 211.309 2.103 50 50 BEGA N#CC(C(=O)O)=C1C2CC3CC(C2)CC1C3 4948730 WAHVDKWEFIKBRZ-UHFFFAOYSA-N 217.268 2.347 50 50 BEGA FC1(F)CC(CI)C1 169148075 ZQIGYMBIEBXPTQ-UHFFFAOYSA-N 232.011 2.467 50 50 BEGA in-vitro C[C@H](Br)C(=O)OC(C)(C)C 12953794 CVAWKJKISIPBOD-YFKPBYRVSA-N 209.083 2.112 50 50 BEGA CO[Si](C)(C)c1ccc(Cl)cc1 169744925 KKBHWXKQEGSHGS-UHFFFAOYSA-N 200.741 2.399 50 50 BEGA in-vitro Cn1cc(/C=C(\C#N)C(=O)CC(C)(C)C)cn1 222130751 MXARTWDRFVTMCT-VZUCSPMQSA-N 231.299 2.332 50 50 BEGA CO/N=C/C(C#N)=C/c1ccc(N(C)C)cc1 3046953 DHKZRVJXNRLQJK-AMHPPWGGSA-N 229.283 2.292 50 50 BEGA CC(C)C12C[C@H]3C[C@@H](CC(C(=O)NN)(C3)C1)C2 100243570 YRDJRMGJSXUGFL-IENTYSSBSA-N 236.359 2.219 50 50 BEGA O=C(CCl)Nc1ccc([N+](=O)[O-])cc1Cl 4015662 LGKLKAQMOASLBD-UHFFFAOYSA-N 249.053 2.426 50 50 BEGA OB(O)/C=C\c1ccc(-c2ccccc2)cc1 195802730 NTRGFVQIGQYKIL-KHPPLWFESA-N 224.068 2.379 50 50 BEGA N#Cc1ccc(CI)cc1 331066 XVCMLNJYQSBFPR-UHFFFAOYSA-N 243.047 2.493 50 50 BEGA COc1cccc(C(=O)CBr)c1 1598782 IOOHBIFQNQQUFI-UHFFFAOYSA-N 229.073 2.273 50 50 BEGA in-vitro CCO[Si](C)(C)O[Si](C)(C)OCC 169876740 NPOYZXWZANURMM-UHFFFAOYSA-N 222.433 2.480 50 50 BEGA O[C@H]1c2ccccc2C[C@H]1Br 337058 RTESDSDXFLYAKZ-BDAKNGLRSA-N 213.074 2.040 50 50 BEGA O=C(Cc1ccccc1)N/N=C/c1ccccc1 1458083 MPFFIYHRLWVBBJ-FOWTUZBSSA-N 238.290 2.379 50 50 BEGA CCc1ccc2c(c1)CCN2C(=O)CCl 1120078800 KAKLIJQXSPCHHQ-UHFFFAOYSA-N 223.703 2.377 50 50 BEGA O=C(Cl)Oc1ccc2c(c1)OCO2 139926338 DTGXWXVOKIDGIE-UHFFFAOYSA-N 200.577 2.153 50 50 BEGA Cc1ccc(NC=C(C#N)C#N)c([N+](=O)[O-])c1 5212445 OIIVAKXINBSYKE-UHFFFAOYSA-N 228.211 2.246 50 50 BEGA O=C(CBr)Nc1ccccc1F 5868561 JMRLQUWUFLVROJ-UHFFFAOYSA-N 232.052 2.159 50 50 BEGA in-vitro C/C(=N\NC(=O)c1cccnc1)c1cccs1 12417451 YSZACHJVEIABSX-NTEUORMPSA-N 245.307 2.297 50 50 BEGA O=C(O)[C@H](Br)c1ccc(F)cc1 12954367 ATILMAUMZRFROS-SSDOTTSWSA-N 233.036 2.346 50 50 BEGA O=C(Cl)C1CCN(c2cccnc2)CC1 263624515 RFVKAURQWIPVSC-UHFFFAOYSA-N 224.691 2.063 50 50 BEGA CC[C@@H](NC(=O)CCl)c1ccccc1O 1875363956 FTAROILPRJLPLL-SECBINFHSA-N 227.691 2.198 50 50 BEGA C[C@H](Cl)C(=O)NC[C@H]1[C@H]2c3ccccc3C[C@H]21 1875364525 UEPTWNICIHBQEJ-KNDHEWATSA-N 249.741 2.316 50 50 BEGA NC(=O)N/N=C/c1sccc1-c1ccccc1 330019 WXTWITFJPPTKGN-RIYZIHGNSA-N 245.307 2.417 50 50 BEGA C/C(=N\NC(=O)c1ccccc1O)c1ccco1 12362541 SAAKJRIRVVWIER-NTEUORMPSA-N 244.250 2.139 50 50 BEGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Cl 33434050 IKYPKKNPZHHIJS-LURJTMIESA-N 229.619 2.128 50 50 BEGA ClCc1nc2cc3c(cc2[nH]1)OCCO3 34939539 FKRAYVSKVBDJGO-UHFFFAOYSA-N 224.647 2.073 50 50 BEGA CC(C)(F)CI 196635110 MXPODJANGKJLIO-UHFFFAOYSA-N 202.010 2.170 50 50 BEGA in-vitro CC[C@@H](c1ccncc1)N(C)C(=O)CCl 1116437614 KFZTYZNRROGTNK-JTQLQIEISA-N 226.707 2.230 50 50 BEGA O=C(CCl)NC[C@]12CCCC[C@H]1C2(F)F 1875377690 KXXXGBOYQWMATE-VXNVDRBHSA-N 237.677 2.167 50 50 BEGA Cc1ccc([C@H]2CC(=O)C(C#N)=C(N)C2)s1 100783262 VOMMAYXANWXBDW-MRVPVSSYSA-N 232.308 2.239 50 50 BEGA O=Cc1ccccc1NC(=O)CCCl 238899436 GKGASDQPCCSBJU-UHFFFAOYSA-N 211.648 2.067 50 50 BEGA CC[C@H]1CCCCN1C(=O)[C@H](C)Cl 6224868 AZONHAYWAQFQQF-IUCAKERBSA-N 203.713 2.405 50 50 BEGA CC(C)(C)OC(=O)N1CC(Br)C1 79017074 RUTPPPNQDPSSBM-UHFFFAOYSA-N 236.109 2.001 50 50 BEGA in-vitro OCc1cccc(CBr)c1 26893527 JQZKOBFRLUVZLO-UHFFFAOYSA-N 201.063 2.074 50 50 BEGA in-vitro CCOC(=O)/C(C#N)=C\c1ccccc1 4578733 KCDAMWRCUXGACP-FLIBITNWSA-N 201.225 2.157 50 50 BEGA Cc1ccc(/C=C(\C#N)C(N)=S)c(C)c1 12341393 LFQIHDOIBUXUQV-IZZDOVSWSA-N 216.309 2.497 50 50 BEGA O=C(NCCCl)N[C@@H]1CCCC[C@H]1Cl 4901031 ZRESKLJYSGQVEZ-HTQZYQBOSA-N 239.146 2.074 50 50 BEGA BrCCCc1ccncc1 39278427 WRRGKVSSGVGACC-UHFFFAOYSA-N 200.079 2.409 50 50 BEGA in-vitro C[C@@H](Cl)C(=O)N[C@@H]1CCc2c(C#N)cccc21 1875370350 LLFWWOCAMFQVGH-PRHODGIISA-N 248.713 2.289 50 50 BEGA CCOC(=O)/C(C#N)=C1/C=Nc2ccccc2N1 18045921 XEXZOINHSIFHFY-XFXZXTDPSA-N 241.250 2.155 50 50 BEGA in-vivo O=S(=O)(CCl)c1ccc(Cl)cc1 1666647 SAOGOJANGOKVRG-UHFFFAOYSA-N 225.096 2.310 50 50 BEGA c1coc(P(c2ccco2)c2ccco2)c1 77319869 DLQYXUGCCKQSRJ-UHFFFAOYSA-N 232.175 2.224 50 50 BEGA in-vitro CCOC(F)(F)[C@@H](F)Br 2584333 JHNFRVXKGJVWFU-GSVOUGTGSA-N 206.989 2.306 50 50 BEGA biogenic,in-vitro O=C(CBr)Cc1ccccc1 62498332 CIFGSVFCDAILNK-UHFFFAOYSA-N 213.074 2.193 50 50 BEGA in-vitro C[C@H](Cl)C(=O)N1[C@H](C)CCC[C@H]1C 238852659 GYINOGHSYTZVDH-HLTSFMKQSA-N 203.713 2.403 50 50 BEGA in-vitro O=[N+]([O-])c1ccc2nc(CCl)oc2c1 169836 LPTHKRDEKSFWAO-UHFFFAOYSA-N 212.592 2.475 50 50 BEGA in-vitro C[C@@H](CCc1ccccc1)NC(=O)CCl 3289307 GBJRIBKHNZKXLN-JTQLQIEISA-N 225.719 2.363 50 50 BEGA O=C(Cl)c1cc([N+](=O)[O-])ccc1F 16158651 SXJNRYPVXFTJOU-UHFFFAOYSA-N 203.556 2.113 50 50 BEGA CCC(CC)(CBr)C(=O)O 138052531 LDBWFANYCMNLNH-UHFFFAOYSA-N 209.083 2.272 50 50 BEGA CO[Si](C)(CC[C@@H]1CC[C@@H]2O[C@@H]2C1)OC 196290307 SLQTWNAJXFHMHM-GARJFASQSA-N 230.380 2.309 50 50 BEGA C[C@@H](NC(=O)CCl)c1csc(C2CC2)n1 1875364527 NOGDVUVWMCWAIH-ZCFIWIBFSA-N 244.747 2.437 50 50 BEGA NNC(=O)c1cc2c(s1)-c1ccccc1CC2 69910 KFGFRPWZQKMMNV-UHFFFAOYSA-N 244.319 2.117 50 50 BEGA Cc1ccc(Cl)cc1NC(=O)NN(C)C 2143154 UZQATXOFLWMISI-UHFFFAOYSA-N 227.695 2.247 50 50 BEGA O[C@H]1c2ccccc2CC[C@@H]1Br 3075560 OTLLBSSGPSQQJY-UWVGGRQHSA-N 227.101 2.430 50 50 BEGA C[Si](C)(O)c1ccc(C(F)(F)F)cc1 170175572 DVUUSNXWDACUFZ-UHFFFAOYSA-N 220.266 2.110 50 50 BEGA O=C(Cl)/C=C/c1cccc([N+](=O)[O-])c1 2555649 ORIBWNWUGUWUKV-SNAWJCMRSA-N 211.604 2.373 50 50 BEGA in-vitro CCc1cnccc1[C@@H](C)NC(=O)[C@H](F)Cl 2325897925 MTEPZNWHHYQINL-XCBNKYQSSA-N 244.697 2.356 50 50 BEGA Sc1nnc(SCCCl)s1 2556303 WEYBTZMTACRJBQ-UHFFFAOYSA-N 212.752 2.158 50 50 BEGA O=C(Cl)c1ccc(-n2cccn2)cc1 2582847 UHDHZXQMHIQHSO-UHFFFAOYSA-N 206.632 2.251 50 50 BEGA in-vitro CN(C)c1ccc(NC(=O)CCCl)cc1 5930032 KRBZJVYBZJOYRP-UHFFFAOYSA-N 226.707 2.320 50 50 BEGA in-vitro C/C(=N\NC(N)=O)C12CC3CC(CC(C3)C1)C2 4529843 PBYSNHTVPWMNPO-OVCLIPMQSA-N 235.331 2.247 50 50 BEGA CN(C(=O)CCl)[C@@H]1C[C@@H]1c1ccccc1 1875364738 SCSBCFKXLCJKGA-GHMZBOCLSA-N 223.703 2.240 50 50 BEGA Cc1cc([C@@H]2CCCN2C(=O)[C@H](C)Cl)no1 1875364773 TWPIYSGLDHUXEO-WPRPVWTQSA-N 242.706 2.274 50 50 BEGA COc1cc(OC)c(OC)cc1C=C(C#N)C#N 245429 FKXBJORZHOGQRN-UHFFFAOYSA-N 244.250 2.143 50 50 BEGA biogenic,in-vitro CCCCOc1ccc(/C=N/NC(C)=O)cc1 2056592 XCGSBPHPXBCUTL-GXDHUFHOSA-N 234.299 2.336 50 50 BEGA N#C/C(C(=O)c1ccccc1)=C1/CCCN1 18053828 MNDUHSMHAUGMNN-VAWYXSNFSA-N 212.252 2.030 50 50 BEGA O=C(CC(=O)C(Cl)Cl)C(Cl)Cl 390834815 CRPNDHFZEJXWCP-UHFFFAOYSA-N 237.897 2.122 50 50 BEGA C[C@H](Cl)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 1875377309 BRYFPDPOJWYMPP-QPUJVOFHSA-N 248.713 2.289 50 50 BEGA C/C(=N\NC(N)=O)C1=CCC(C)(C)CC1 4957653 NAVWESISUDIMFA-MDWZMJQESA-N 209.293 2.167 50 50 BEGA O=C1OC(=O)c2ccc([N+](=O)[O-])c3cccc1c23 95707743 LKOZHLXUWUBRDK-UHFFFAOYSA-N 243.174 2.059 50 50 BEGA in-vitro N#CS[C@@H](C#N)Cc1cccc([N+](=O)[O-])c1 63269 BZQNSPAPXZEASH-SNVBAGLBSA-N 233.252 2.244 50 50 BEGA O=C1C(=O)N(CCCCCl)c2ccccc21 1901998 SKPAHLIBGXSNHC-UHFFFAOYSA-N 237.686 2.235 50 50 BEGA Cc1ccc([C@H](C)NC(=O)CCl)cc1 19094419 MEROEWXZHHGWCP-VIFPVBQESA-N 211.692 2.411 50 50 BEGA in-vitro C[C@@H]1Oc2c(F)cccc2[C@H]1NC(=O)CCl 1875364340 OEWOJIOSQKWPBP-WKEGUHRASA-N 243.665 2.003 50 50 BEGA Cn1cc(/C=C(\C#N)C(N)=S)c2ccccc21 2887937 IXWVRMBWNCXRQL-RMKNXTFCSA-N 241.319 2.371 50 50 BEGA CNC(=O)Oc1ccc(SC#N)cc1C 3638174 CJCCQQQEEXAGIP-UHFFFAOYSA-N 222.269 2.286 50 50 BEGA CSc1ccc(/C=N/NC(=O)C2CC2)cc1 437524 PCMAFBVXLJFKGN-MDWZMJQESA-N 234.324 2.269 50 50 BEGA Cn1c(CBr)nc2ccccc21 2548434 JFEPMKWVPYPLOO-UHFFFAOYSA-N 225.089 2.468 50 50 BEGA CCN(CC)C(=O)N(N)c1cccc(C)c1 757125828 BOXAXUGLLROVNX-UHFFFAOYSA-N 221.304 2.137 50 50 BEGA O=C(CCl)Nc1c(F)cccc1F 159274 KGKTXGFDPWHUBR-UHFFFAOYSA-N 205.591 2.142 50 50 BEGA COc1ccccc1-c1nc(CCl)no1 165214 ZOWLLEBVXDSRDI-UHFFFAOYSA-N 224.647 2.484 50 50 BEGA in-vitro ClCc1nc(Cc2ccccc2)no1 6658032 RUERNNLQCZMFKW-UHFFFAOYSA-N 208.648 2.399 50 50 BEGA in-vitro CC(C)(C)[Si](C)(C)OCC#CCO 195800885 TVWVWXDQNWGYJZ-UHFFFAOYSA-N 200.354 2.004 50 50 BEGA in-vitro C[C@@]12C(=O)OC(=O)[C@@H]1CC=C[C@H]2c1ccccc1 101139090 ICEMRYYSJMNTQC-HUBLWGQQSA-N 242.274 2.436 50 50 BEGA COC(=O)[C@@H](Br)c1ccccc1 1764705 NHFBYYMNJUMVOT-QMMMGPOBSA-N 229.073 2.296 50 50 BEGA in-vitro COC(=O)c1cc(CCl)cnc1Cl 238355686 KOKDIRNEPFGBDP-UHFFFAOYSA-N 220.055 2.260 50 50 BEGA O=C1O[C@H](CBr)Cc2ccccc21 526056053 JBHRAURIOOCOQL-QMMMGPOBSA-N 241.084 2.163 50 50 BEGA O=C(NNc1ccccc1)c1ccccc1 262544 CKLPECFHCLIYKN-UHFFFAOYSA-N 212.252 2.444 50 50 BEGA biogenic CC(C)=NNC(=O)Sc1cc(O)ccc1O 1504193 DTACGLMEKGTTDM-UHFFFAOYSA-N 240.284 2.295 50 50 BEGA BrC[C@@H]1COc2ccccc2O1 2168826 QYLFKNVZIFTCIY-SSDOTTSWSA-N 229.073 2.221 50 50 BEGA in-vitro COc1c(F)ccc(F)c1C(=O)Cl 67800111 GMHCTDDYNOBUJT-UHFFFAOYSA-N 206.575 2.352 50 50 BEGA C#CCCCCI 86019913 YITSYYQPKJETAH-UHFFFAOYSA-N 208.042 2.225 50 50 BEGA in-vitro C[C@@H](NC(=O)CBr)c1ccccc1 9877333 RNCXLSVGMXDLOZ-MRVPVSSYSA-N 242.116 2.259 50 50 BEGA O[C@@H]1c2ccccc2C[C@H]1Br 337059 RTESDSDXFLYAKZ-RKDXNWHRSA-N 213.074 2.040 50 50 BEGA in-vitro CCC1CCC(NC(=O)CCl)CC1 19094396 IHYLVBSEACZOPF-UHFFFAOYSA-N 203.713 2.310 50 50 BEGA in-vitro Nc1cc(CCl)c(C(F)(F)F)cn1 238658958 UPOFKRHWGPODCZ-UHFFFAOYSA-N 210.586 2.421 50 50 BEGA BrCc1cn(-c2ccccc2)nn1 51015833 ZIGZFVQFYCRRGD-UHFFFAOYSA-N 238.088 2.162 50 50 BEGA CCOC(=O)N/N=C/C=C/c1ccccc1 2742933 GHFWPCYPKJTPCJ-DEKJKZHBSA-N 218.256 2.432 50 50 BEGA C[N+](C)(C)NC(=O)Cc1cccc2ccccc12 439061 IVUVZFNMWUENTP-UHFFFAOYSA-O 243.330 2.120 50 50 BEGA Cc1nc(-c2cccc(N=C=O)c2)no1 4277370 ABQISPPNPKPCKF-UHFFFAOYSA-N 201.185 2.012 50 50 BEGA in-vitro NNC(=O)c1ccc(-c2ccc(F)cc2)s1 4205197 XMNWZKXRDIGYBL-UHFFFAOYSA-N 236.271 2.158 50 50 BEGA in-vitro O=C(CBr)C(F)(F)C(F)(F)F 4242005 HHGIRNBWKHUFNA-UHFFFAOYSA-N 240.953 2.148 50 50 BEGA biogenic,in-vitro C=CC[Si](OCC)(OCC)OCC 169746886 UMFJXASDGBJDEB-UHFFFAOYSA-N 204.342 2.221 50 50 BEGA in-vitro Cc1cccc(CC(=O)CC(=O)Cl)c1 263623612 IZNKQXXADHNRFI-UHFFFAOYSA-N 210.660 2.262 50 50 BEGA ClC[C@@H](Br)CBr 1569007 WBEJYOJJBDISQU-VKHMYHEASA-N 236.334 2.384 50 50 BEGA in-vitro CC(C)(C)[Si](C)(C)OC[C@H]1OC=C[C@H]1O 169834509 UHHRNZMLENNIIS-NXEZZACHSA-N 230.380 2.282 50 50 BEGA O=C(Cl)c1cccc2c1OCCCO2 2527514 LCMXYORUTQLVDS-UHFFFAOYSA-N 212.632 2.227 50 50 BEGA N#CC(NC(=O)c1ccco1)=C(Cl)Cl 1857799006 JKFKYTXAEHYSEY-UHFFFAOYSA-N 231.038 2.180 50 50 BEGA O=C(OCc1ccccc1)[C@H](F)Cl 4334576 MWMVSSKZRABAIJ-QMMMGPOBSA-N 202.612 2.264 50 50 BEGA biogenic,in-vitro O=C(O)Cc1ccc(CBr)cc1 2539381 WCOCCXZFEJGHTC-UHFFFAOYSA-N 229.073 2.209 50 50 BEGA in-vitro COc1cccc(OCCBr)c1 2894714 BTUZRSNUNBPIEN-UHFFFAOYSA-N 231.089 2.469 50 50 BEGA in-vitro ClCc1cc(Cl)n2nccc2n1 1772716015 IOQUKHQAJGUXCZ-UHFFFAOYSA-N 202.044 2.122 50 50 BEGA O=C=Nc1cc(F)c(Cl)nc1Cl 958528051 PMEBFUUKZPPHHF-UHFFFAOYSA-N 206.991 2.495 50 50 BEGA CC1(CC(F)(F)F)CN(C(=O)CCl)C1 1327500326 WIKUKWNYRUPWLC-UHFFFAOYSA-N 229.629 2.026 50 50 BEGA COC(=O)N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 1875390443 BMSIWLDUUPQQQX-GJXTVQSUSA-N 222.288 2.155 50 50 BEGA O=C(N/N=C/c1ccco1)c1cccs1 28551 ISTFEGKCGPOOMV-YRNVUSSQSA-N 220.253 2.105 50 50 BEGA Cc1ccc(CC(=O)CC(=O)Cl)cc1 263624438 QLUNFKRWRVGDAM-UHFFFAOYSA-N 210.660 2.262 50 50 BEGA O=C=NCc1ccc(Br)cc1 2387314 IXWMDGLNJQNMIO-UHFFFAOYSA-N 212.046 2.285 50 50 BEGA O=C(CCCl)N[C@@H]1CCCC[C@@H]1Cl 5375866 LBEMAZKONHSRED-JGVFFNPUSA-N 224.131 2.282 50 50 BEGA Cc1occc1C(=O)N/N=C/c1ccc(F)cc1 251148 YVGYWSYYJRUHPC-OVCLIPMQSA-N 246.241 2.491 50 50 BEGA Br[C@@H]1CCC[C@H]2CNCC[C@H]12 4277201 IIYRCTSNIWCZEC-XHNCKOQMSA-N 218.138 2.160 50 50 BEGA C/C(=N\NC(=O)c1ccco1)c1ccc(C)o1 175375 LNWJYSQUOFSYET-UKTHLTGXSA-N 232.239 2.335 50 50 BEGA O=C1C(=O)N(C/C=C/CCl)c2ccccc21 4105349 CDIJQEWFULDXHH-ONEGZZNKSA-N 235.670 2.011 50 50 BEGA O=C(Cl)Oc1ccccc1[N+](=O)[O-] 2560373 FHLXUWOHGKLDNF-UHFFFAOYSA-N 201.565 2.332 50 50 BEGA in-vitro C/C(=N\NC(=O)Cc1cccs1)c1ccco1 13115181 XEEHIUWIDVCQCC-UKTHLTGXSA-N 248.307 2.424 50 50 BEGA CO[Si](C)(CCC(F)(F)F)OC 169746902 DIJRHOZMLZRNLM-UHFFFAOYSA-N 202.248 2.304 50 50 BEGA in-vitro O=C1C[C@@H](CCl)CN1c1ccccc1 221527319 PSRXERCLSVATAY-VIFPVBQESA-N 209.676 2.278 50 50 BEGA C[C@H]1Oc2c(F)cccc2[C@H]1NC(=O)CCl 1875364334 OEWOJIOSQKWPBP-LDWIPMOCSA-N 243.665 2.003 50 50 BEGA C/C(=N\NC(=O)c1ccco1)c1cccs1 28631 HLAFQEFXMMPJTP-XYOKQWHBSA-N 234.280 2.495 50 50 BEGA C[C@]12CCCC[C@H]1CN2C(=O)CCl 575568577 RYELPFVPYYLEKL-WPRPVWTQSA-N 201.697 2.016 50 50 BEGA O=C(C(Cl)Cl)N1CC2CCC(CC2)C1 1569617 MGIDGMIMHMSHHR-UHFFFAOYSA-N 236.142 2.439 50 50 BEGA O=[N+]([O-])c1cccc(-c2noc(CCl)n2)c1 165459 QJMVUDOJNDEBTE-UHFFFAOYSA-N 239.618 2.384 50 50 BEGA O=C(N/N=C/c1ccccc1O)[C@@H]1CC12CCC2 175451 NHXIKKLIZUDLBR-ZRRZQRFHSA-N 244.294 2.033 50 50 BEGA COc1ccccc1/C=N/NC(=O)c1ccco1 227815 JSUBUGTXTQIFKP-NTEUORMPSA-N 244.250 2.052 50 50 BEGA Cc1cc(C(=O)N/N=C/c2sccc2C)no1 1009108 QJTWICGSVOTYSP-WUXMJOGZSA-N 249.295 2.117 50 50 BEGA O=C(Cl)CC(=O)Cc1ccc(F)cc1 263623597 IWHYCUIMRBEDGA-UHFFFAOYSA-N 214.623 2.093 50 50 BEGA N#C/C(=C/c1ccc(Br)o1)C(=O)O 5716213 FTKOCZYMYHDZLT-HYXAFXHYSA-N 242.028 2.034 50 50 BEGA CCC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 299514 JSSQSHWXJDQDFQ-UHFFFAOYSA-N 248.326 2.155 50 50 BEGA O=C(Nc1ccc([N+](=O)[O-])cc1)C(Cl)Cl 4613910 VUPKZANRZKUIHF-UHFFFAOYSA-N 249.053 2.337 50 50 BEGA C[C@@H](Cl)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 1875377308 BRYFPDPOJWYMPP-PRHODGIISA-N 248.713 2.289 50 50 BEGA CNC(=O)C(C#N)=Cc1c(F)cccc1Cl 1857524738 KQBGZQDQJMSBCE-UHFFFAOYSA-N 238.649 2.132 50 50 BEGA COC(=O)c1ccc2[nH]c(CCl)nc2c1 12862030 HQJPQNYLAADYLI-UHFFFAOYSA-N 224.647 2.088 50 50 BEGA N#C/C=C(/CCl)CNC(=O)c1ccccc1 1772572640 GDIWIJYCOBIXRX-POHAHGRESA-N 234.686 2.105 50 50 BEGA O=C(N/C=C/c1ccco1)OCCCl 3104771 FEHWSWIKQJMTRZ-HWKANZROSA-N 215.636 2.215 50 50 BEGA C[C@H](Br)C(=O)NC1CCCCC1 9305533 DFYATVAAOOEQOX-ZETCQYMHSA-N 234.137 2.219 50 50 BEGA C[C@H](Br)C(=O)N(C)c1ccccc1 36449671 YSZCCVBDAOBVPN-QMMMGPOBSA-N 242.116 2.433 50 50 BEGA CCOC(=O)/C(C#N)=C/c1ccccc1 28235 KCDAMWRCUXGACP-DHZHZOJOSA-N 201.225 2.157 50 50 BEGA in-vitro O=C(N/N=C/c1cccs1)c1ccccc1O 259622 OLDVIXVCAVKNTM-MDWZMJQESA-N 246.291 2.218 50 50 BEGA CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)CCl 1420755 FXJFCSOQVPPIHK-MRVPVSSYSA-N 247.722 2.194 50 50 BEGA ClC[C@H](Br)CBr 1576867 WBEJYOJJBDISQU-GSVOUGTGSA-N 236.334 2.384 50 50 BEGA in-vitro BrCCNc1ccccc1 1621883 AQRDPQOVPUDAQO-UHFFFAOYSA-N 200.079 2.493 50 50 BEGA N#Cc1ccc(OCCBr)cc1 3336042 IVKAPFWKLFIYCG-UHFFFAOYSA-N 226.073 2.332 50 50 BEGA in-vitro CC(C)c1n[nH]c2c1[C@H](C(C)C)C(C#N)=C(N)O2 6507118 UEJXYZXVSLFFPU-SECBINFHSA-N 246.314 2.359 50 50 BEGA C#CCCCOc1cc(C(=O)Cl)ccn1 263623504 IAOCCJALVHSMMQ-UHFFFAOYSA-N 223.659 2.253 50 50 BEGA COc1ccccc1NC(=O)C(Cl)Cl 1684087 ZUQKXWKNYFDNLN-UHFFFAOYSA-N 234.082 2.437 50 50 BEGA C[C@H](Cc1ccccc1)NC(=O)CCCl 2166764 WLUXBQWZVWMKCR-SNVBAGLBSA-N 225.719 2.363 50 50 BEGA in-vitro O=C(CCl)c1ncc(Cl)cc1F 91692950 XZYAGJZPXNLQKY-UHFFFAOYSA-N 208.019 2.296 50 50 BEGA in-vitro CCNC(=O)N/N=C/C1=CC[C@H]2C[C@H]1C2(C)C 144057319 BOQXCNDEWZQDDN-SLDKGUOFSA-N 235.331 2.284 50 50 BEGA C[Si](C)(C)O[C@H](C#N)c1ccccn1 196507532 CCGQMBNGDWDQFC-SNVBAGLBSA-N 206.321 2.498 50 50 BEGA C[C@H](Cl)C(=O)N1CC(Cc2cccs2)C1 1875366921 YHJQXPVCJQZACU-QMMMGPOBSA-N 243.759 2.376 50 50 BEGA COc1cccc(/C=C(\C#N)C(=O)O)c1Cl 4541880 QSZJLVPCWAOWJL-VMPITWQZSA-N 237.642 2.340 50 50 BEGA CC1(C)C[C@H](N=C=O)C[C@](C)(CN=C=O)C1 8585909 NIMLQBUJDJZYEJ-JQWIXIFHSA-N 222.288 2.243 50 50 BEGA in-vitro CC[C@@](C)(OO)OO[C@@](C)(CC)OO 8585912 WFUGQJXVXHBTEM-YUMQZZPRSA-N 210.226 2.166 50 50 BEGA O=C(CCl)Nc1ccc(N2CCCC2)cc1 339148 FNVRQNQKCUANBZ-UHFFFAOYSA-N 238.718 2.464 50 50 BEGA CC[C@H](Br)C(=O)NC(C)(C)C 9304504 DCTDIBXHVGIXFZ-LURJTMIESA-N 222.126 2.075 50 50 BEGA in-vitro C[C@H](Cl)C(=O)N(C)Cc1ncc(C2CC2)o1 1875389940 RYVFXIQBJLYRHH-ZETCQYMHSA-N 242.706 2.138 50 50 BEGA O=C(N/N=C/c1cccc(O)c1)c1cccs1 308246 GBUHCNXMPQYORC-MDWZMJQESA-N 246.291 2.218 50 50 BEGA CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)CCl 1420754 FXJFCSOQVPPIHK-QMMMGPOBSA-N 247.722 2.194 50 50 BEGA CC(=O)Nc1ccc(NC(=O)[C@H](C)Cl)cc1 3289348 ZZPGHQKTWNRUJS-ZETCQYMHSA-N 240.690 2.211 50 50 BEGA O=C(Cl)c1ccc([N+](=O)[O-])cc1F 36533186 BUBMAUUSVWQBMS-UHFFFAOYSA-N 203.556 2.113 50 50 BEGA in-vitro CC(=O)Nc1c(F)cccc1C(=O)CCl 390834968 XXQFGNFOUHJYST-UHFFFAOYSA-N 229.638 2.206 50 50 BEGA O=C(N/N=C/c1ccco1)c1ccccc1 130901 FLSCWWXUVAYOLY-UKTHLTGXSA-N 214.224 2.044 50 50 BEGA IC1CCSCC1 12370683 JVBIONNYIWEILC-UHFFFAOYSA-N 228.098 2.317 50 50 BEGA O=S1(=O)C[C@]23CC=CC[C@@]2(CCC3)[C@H]1Cl 101045282 UOJKVQLSIHFTMP-HBNTYKKESA-N 246.759 2.486 50 50 BEGA Fc1cncc(F)c1CBr 114695667 KCOUSPQGSRXTTO-UHFFFAOYSA-N 208.005 2.255 50 50 BEGA ClCC[n+]1ccc(C2CCOCC2)cc1 4716432 ZYHAYYJCUPPBHO-UHFFFAOYSA-N 226.727 2.107 50 50 BEGA CCOC(=O)/C(C#N)=C1\C=Cc2ccccc2N1 12341527 QLFOWJDBJSYNSR-ACCUITESSA-N 240.262 2.466 50 50 BEGA COc1ccc(NC(=O)[C@@H](C)Cl)c(OC)c1 19433893 YMDDVJHJHFHNRQ-SSDOTTSWSA-N 243.690 2.270 50 50 BEGA CC[C@@H](Br)C(=O)N(CC)CC 32919601 HCCISENHKZNNDZ-SSDOTTSWSA-N 222.126 2.028 50 50 BEGA CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)CCl 1341523770 ISYYLDMVCAOIGV-NXEZZACHSA-N 247.766 2.277 50 50 BEGA COc1ccc(C(=O)CSC#N)cc1 2379708 OBXOJFFFVRRRAU-UHFFFAOYSA-N 207.254 2.092 50 50 BEGA biogenic O=C1[C@H](Br)CCN1c1ccccc1 4521779 OXRJWDQGHVJQAU-SECBINFHSA-N 240.100 2.187 50 50 BEGA in-vitro C[C@H](Cl)c1nc2ccccc2c(=O)[nH]1 2661387 RVKAESVOOUVGKF-LURJTMIESA-N 208.648 2.223 50 50 BEGA in-vitro Cc1ccccc1C(=O)N/N=C/c1ccoc1 14015879 BROFOYAPMZHFNA-RIYZIHGNSA-N 228.251 2.352 50 50 BEGA C[C@@H](Cl)C(=O)Nc1ccc2c(c1)OCCO2 3886397 PJGWNKJMXNUHCI-SSDOTTSWSA-N 241.674 2.024 50 50 BEGA Cc1nn(C)c2sc(C(=O)Cl)cc12 2506136 BQOTYHLFKDBAGL-UHFFFAOYSA-N 214.677 2.322 50 50 BEGA in-vitro COc1ccc(/C=C/C(=O)Cl)cc1OC 2513881 HGDZRSNJGRIAKS-GQCTYLIASA-N 226.659 2.482 50 50 BEGA in-vitro O=C(O)[C@@H](Br)CCC(F)(F)F 72265726 FOMPMQCWNXZEAQ-VKHMYHEASA-N 234.999 2.177 50 50 BEGA in-vitro CC(C)(CCl)C(=O)Nc1nccs1 2569408 RXSYBUDYQXFLKA-UHFFFAOYSA-N 218.709 2.347 50 50 BEGA in-vitro CC(=C(C#N)C#N)c1ccc2c(c1)OCO2 189990 UAHLKBOTQLNWCK-UHFFFAOYSA-N 212.208 2.236 50 50 BEGA CCCCc1ccc(/C=N/NC(N)=O)s1 2765727 KPZYPASOCXSCQJ-KPKJPENVSA-N 225.317 2.093 50 50 BEGA Cc1cncc(N2CCC(CCl)CC2)n1 12370612 GKNSMTVVQDNAOC-UHFFFAOYSA-N 225.723 2.240 50 50 BEGA O=C1CC2(CCCC2)CC(=O)N1CCCCl 196067454 RPAAMGZTJQDTEF-UHFFFAOYSA-N 243.734 2.325 50 50 BEGA Cc1cc(C(=O)N/N=C/c2cccnc2)cs1 373941 KTWFBTLUINXTPR-VGOFMYFVSA-N 245.307 2.215 50 50 BEGA CC(=O)N/N=C/c1c(O)ccc2ccccc12 2172422 VHYUYVYLFTZQFX-RIYZIHGNSA-N 228.251 2.015 50 50 BEGA C[C@H](Cl)C(=O)Nc1ccc(Cl)cn1 3887367 CNAAXGGFJZFRBZ-YFKPBYRVSA-N 219.071 2.301 50 50 BEGA in-vitro Cc1ccc(/C=C(\C#N)c2n[nH]c(N)c2C#N)cc1 5034203 VJKSTBMTOVFGPB-IZZDOVSWSA-N 249.277 2.236 50 50 BEGA [C-]#[N+][C@@H](C)S(=O)(=O)c1ccc(C)cc1 100004260 NGOUPILQFWOEET-SECBINFHSA-N 209.270 2.034 50 50 BEGA in-vitro O=C(CCCCl)Cn1nnc2ccccc21 5777720 LRAJQVRTRPECDO-UHFFFAOYSA-N 237.690 2.019 50 50 BEGA O[C@@H]1c2ccccc2CC[C@H]1Br 4829984 OTLLBSSGPSQQJY-NXEZZACHSA-N 227.101 2.430 50 50 BEGA O=C(CCl)Nc1cc([N+](=O)[O-])ccc1Cl 2379766 ORRONSFAPOXMAG-UHFFFAOYSA-N 249.053 2.426 50 50 BEGA in-vitro Oc1cccc(F)c1CBr 238724605 ZDBXQBYTTFZHJP-UHFFFAOYSA-N 205.026 2.426 50 50 BEGA CCO[Si](C)(c1ccccc1)c1ccccc1 169811089 ADLWTVQIBZEAGJ-UHFFFAOYSA-N 242.394 2.413 50 50 BEGA C/C(=N/NC(=O)c1ccccc1)C1CC1 12342911 XGEIMICQFAWRLW-LCYFTJDESA-N 202.257 2.202 50 50 BEGA C[C@@H](Br)C(=O)NCc1cccs1 32919965 WQAIZKVMDOWXJF-ZCFIWIBFSA-N 248.145 2.148 50 50 BEGA O[C@H](CCl)c1ccc(F)c(F)c1F 200057771 JHKJAAJBIXCSPT-ZCFIWIBFSA-N 210.582 2.376 50 50 BEGA N#C/C(=C\c1ccc(Cl)cc1Cl)C(N)=O 42525 XLEXVFCXCZKVRX-XVNBXDOJSA-N 241.077 2.386 50 50 BEGA C[C@@H]1C/C(=N\NC(N)=O)[C@H]2CCCC[C@H]2S1 107437597 PQZMAJJYFSMMMN-SRYUUPPTSA-N 241.360 2.095 50 50 BEGA C[C@H](Cl)C(=O)NCc1ncc(Cl)s1 719385569 UELZKXVHXFEORO-BYPYZUCNSA-N 239.127 2.040 50 50 BEGA Cc1nnc([C@@H](C)N2CCSSCC2)o1 952874696 LHVJKOFRIOCHQD-SSDOTTSWSA-N 245.373 2.136 50 50 BEGA O=C(CCl)N(C[C@@H]1CCCO1)C1CCCC1 1875364362 OYEHPYCPOYNZDR-NSHDSACASA-N 245.750 2.175 50 50 BEGA CNC(=O)Oc1ccc(SC#N)c(C)c1 71774136 BHBHVWQBHWXNHM-UHFFFAOYSA-N 222.269 2.286 50 50 BEGA CO[C@](C)(CCl)CBr 157972967 JTKXEGRMYHMZHH-YFKPBYRVSA-N 201.491 2.025 50 50 BEGA O=C(N/N=C/c1cccs1)c1ccc(O)cc1 299856 OIKZOBXESHBLGQ-MDWZMJQESA-N 246.291 2.218 50 50 BEGA CSC1=C(C#N)[C@H](c2ccc(C)o2)CC(=O)N1 349845 COVAGARBJCRTIK-MRVPVSSYSA-N 248.307 2.290 50 50 BEGA Br[C@@H]1CCC[C@@H]2CNCC[C@H]21 4277202 IIYRCTSNIWCZEC-IWSPIJDZSA-N 218.138 2.160 50 50 BEGA O=C(Cl)c1cccc(C(=O)Cl)c1 38141439 FDQSRULYDNDXQB-UHFFFAOYSA-N 203.024 2.445 50 50 BEGA in-vitro OB(O)c1ccc(-c2ccc3ccccc3c2)cc1 169745287 ICQAKBYFBIWELX-UHFFFAOYSA-N 248.090 2.187 50 50 BEGA in-vitro Cc1cc(Cl)ccc1NC(=O)NN(C)C 2170935 JALUKZQYEGGENQ-UHFFFAOYSA-N 227.695 2.247 50 50 BEGA O=C(CCl)NC[C@@H]1C[C@@H]1Cc1ccccc1 1875367762 KRDQJDBNCBAWEA-RYUDHWBXSA-N 237.730 2.220 50 50 BEGA CC(C)(C)c1nocc1CNC(=O)[C@@H](F)Cl 2325898521 IXBXJTAIZPQPTD-MRVPVSSYSA-N 248.685 2.123 50 50 BEGA NNC(=O)c1cc2c(ccc3ccccc32)o1 153452 LAMSRGJJBGMGDU-UHFFFAOYSA-N 226.235 2.190 50 50 BEGA COc1cc(C#N)ccc1CBr 34360831 MVOJMSXNCBJLFJ-UHFFFAOYSA-N 226.073 2.462 50 50 BEGA in-vitro Nc1nccc(C(F)(F)F)c1CCl 238697938 OHKFZPSEAPARPQ-UHFFFAOYSA-N 210.586 2.421 50 50 BEGA O[Si](O)(C1CCCC1)C1CCCC1 196599898 KKCJXDUBNUSNTR-UHFFFAOYSA-N 200.354 2.302 50 50 BEGA C[N+](C)(C)CCCCCBr 2566600 YOSALHKHPBALIO-UHFFFAOYSA-N 209.151 2.258 50 50 BEGA in-vivo O=C(CCl)Nc1ccc(Cl)cc1C(=O)O 3080940 SMIHPRXPZTUBDT-UHFFFAOYSA-N 248.065 2.216 50 50 BEGA in-vitro CC(=O)N1CCc2cc(C(=O)CCl)ccc21 5639281 CBLHPICDDMRZIW-UHFFFAOYSA-N 237.686 2.017 50 50 BEGA CC[C@@H](Br)C(=O)C(F)(F)F 8700959 BRWCVQHZTNNLPG-GSVOUGTGSA-N 219.000 2.291 50 50 BEGA Cc1cc(C(=O)N/N=C/c2ccccn2)c(C)o1 381513 FUEQJMAYCMNEGP-OVCLIPMQSA-N 243.266 2.055 50 50 BEGA NNC(=O)c1cccc(Oc2ccccc2)c1 2572858 AZEXBWWYRSXTTN-UHFFFAOYSA-N 228.251 2.082 50 50 BEGA in-vitro O=C(CCl)NCCc1ccc(Cl)cc1 3276808 RVQXTGCQLPYVQI-UHFFFAOYSA-N 232.110 2.238 50 50 BEGA O=C(CCCl)Nc1ccccc1F 5679678 WGOCBWOFSIVDSP-UHFFFAOYSA-N 201.628 2.393 50 50 BEGA in-vitro CN1CCCC[C@H]1CCBr 19092548 RVFDXBVOOIJCGE-QMMMGPOBSA-N 206.127 2.256 50 50 BEGA in-vitro O=C(NN=C1CCCCC1)c1ccncc1 28207 NGFVJSNUQFGXDF-UHFFFAOYSA-N 217.272 2.132 50 50 BEGA in-vitro Cc1cccc(/C(N)=N/NC(=O)OC(C)(C)C)c1 43769283 USDZEIIDZXWZRE-UHFFFAOYSA-N 249.314 2.140 50 50 BEGA CC(C)(C)OC(=O)NNCCc1ccccc1 136336400 MGVWRCANWINBFW-UHFFFAOYSA-N 236.315 2.258 50 50 BEGA O=C(CCl)NCCC1Cc2ccccc2C1 1875377501 FYZKNLIHIJKKAN-UHFFFAOYSA-N 237.730 2.147 50 50 BEGA Cn1cnnc1S/C(C=O)=C/c1ccccc1 5713028 MBDWHYGHEBKUBB-YRNVUSSQSA-N 245.307 2.147 50 50 BEGA FC(F)(Br)CBr 63148491 DPOZWTRVXPUOQW-UHFFFAOYSA-N 223.842 2.369 50 50 BEGA in-vitro CCO[Si](CCCl)(OCC)OCC 195767131 IKBFHCBHLOZDKH-UHFFFAOYSA-N 226.776 2.274 50 50 BEGA in-vitro C[C@H](Cl)C(=O)NCc1ccnc(C2CC2)c1 1875377781 NKYUHQRWEJEVQJ-QMMMGPOBSA-N 238.718 2.203 50 50 BEGA COc1cc(OC)c(N=C=O)cc1Cl 2560437 COSVEXSXJCUYOT-UHFFFAOYSA-N 213.620 2.325 50 50 BEGA in-vitro COc1ccc(C(=O)Cl)c(OC)c1 2566173 KVIUXRJCBBXEGJ-UHFFFAOYSA-N 200.621 2.083 50 50 BEGA Cc1occc1C(=O)N/N=C/c1cccs1 40311 XGQLTVYQXFFVHE-KPKJPENVSA-N 234.280 2.413 50 50 BEGA O=C(CBr)c1cccs1 158752 UHWNENCHFSDZQP-UHFFFAOYSA-N 205.076 2.326 50 50 BEGA in-vitro COc1cc(C(=O)O)ccc1CBr 21299986 ABXLSFUGXBXGAW-UHFFFAOYSA-N 245.072 2.288 50 50 BEGA in-vitro O=C(OCc1ccccc1)[C@@H](F)Cl 2386460 MWMVSSKZRABAIJ-MRVPVSSYSA-N 202.612 2.264 50 50 BEGA biogenic,in-vitro COc1ccc(F)c(C(=O)Cl)c1F 2527826 LKPSYYZUJFYGEF-UHFFFAOYSA-N 206.575 2.352 50 50 BEGA O=C(CCl)c1cc([N+](=O)[O-])c(F)cc1F 263624786 UEEOOTIKINTGNT-UHFFFAOYSA-N 235.573 2.295 50 50 BEGA Cc1cc(F)ccc1NC(=O)CCl 13609007 PSARYDCLDHQFMT-UHFFFAOYSA-N 201.628 2.311 50 50 BEGA in-vitro CC(C)OC(=O)/C(O)=C(\C#N)c1ccccc1 102312990 LWPSWPOJEOVBKZ-QXMHVHEDSA-N 231.251 2.431 50 50 BEGA O=C(CCl)Nc1ccc(F)cc1F 153696 TUPPVAAGWXKMRC-UHFFFAOYSA-N 205.591 2.142 50 50 BEGA biogenic,in-vitro Cc1cc(NC(=O)CCl)c([N+](=O)[O-])cc1C 4829114 ZQKGIBMAJMMPMN-UHFFFAOYSA-N 242.662 2.389 50 50 BEGA Cc1cc2c(cc1B(O)O)C(C)(C)CCC2(C)C 169745441 CHQAGZBOYKWZNW-UHFFFAOYSA-N 246.159 2.024 50 50 BEGA O=C(NN=C1CCCC1)c1ccc([N+](=O)[O-])cc1 59683 QVSXYVVAOWEMJV-UHFFFAOYSA-N 247.254 2.255 50 50 BEGA Cc1ccc(/C=N/NC(=O)c2ccoc2C)o1 32443 JXBRZSRQCRXUML-NTUHNPAUSA-N 232.239 2.253 50 50 BEGA C[C@@H](CCN=C=O)CC(C)(C)CN=C=O 1850591 ATOUXIOKEJWULN-JTQLQIEISA-N 210.277 2.101 50 50 BEGA in-vitro C[C@@H](Br)C(=O)[C@@H](C)Br 2560656 UOPIOAUZQKSZRO-QWWZWVQMSA-N 243.926 2.122 50 50 BEGA COc1ccc(OC)c(NC(=O)CCCl)c1 5526733 QLZAYTWEEVKOOY-UHFFFAOYSA-N 243.690 2.271 50 50 BEGA in-vitro O=Cc1ccc(OCCBr)cc1 1626900 XFHTVCMRNSBQCF-UHFFFAOYSA-N 229.073 2.273 50 50 BEGA in-vitro CCCOC(=O)N(N)c1ccc(C)cc1 757126526 HNAFPGVHORCTKJ-UHFFFAOYSA-N 208.261 2.222 50 50 BEGA O=Cc1ccccc1OCCOCCCl 2163884 RERHINWCHGJPIX-UHFFFAOYSA-N 228.675 2.133 50 50 BEGA COc1ccc(C(=O)Cl)c(F)c1F 2528365 NNDHNNWJECFTJG-UHFFFAOYSA-N 206.575 2.352 50 50 BEGA O=C(O)[C@H](Br)c1ccccc1 12375960 WAKFRZBXTKUFIW-SSDOTTSWSA-N 215.046 2.207 50 50 BEGA in-vitro O=C(CCl)c1cc(F)c([N+](=O)[O-])cc1F 263623722 KANBRIDKUJFETB-UHFFFAOYSA-N 235.573 2.295 50 50 BEGA C[C@H](CCc1cccn1C)NC(=O)[C@@H](C)Cl 1875364306 NNUYSQYAUGTALZ-NXEZZACHSA-N 242.750 2.090 50 50 BEGA C[C@H](Cl)C(=O)N[C@@H]1CC(C)(C)OC1(C)C 1875377503 FZGSJQKMBJYFHK-JGVFFNPUSA-N 233.739 2.076 50 50 BEGA N#CC1=C(c2ccc(Cl)cc2)COC1=O 168304 IJCBFQOOIOPFQG-UHFFFAOYSA-N 219.627 2.174 50 50 BEGA in-vitro Oc1cccc(OCCBr)c1 34439272 QEIPKCFBHGRHFL-UHFFFAOYSA-N 217.062 2.166 50 50 BEGA COC(=O)c1cccc2nc(CCl)[nH]c12 71791040 FFXBOPGNCMMISO-UHFFFAOYSA-N 224.647 2.088 50 50 BEGA in-vitro CC1(C)C[C@@]23CC=CC[C@]2(C1)C(=O)OC3=O 101049576 IKRVAKQHZWVSRW-BETUJISGSA-N 220.268 2.213 50 50 BEGA C[C@@]12C(=O)OC(=O)[C@@H]1CC=C[C@@H]2c1ccccc1 101139093 ICEMRYYSJMNTQC-XUJVJEKNSA-N 242.274 2.436 50 50 BEGA CC(C)=C1[C@@H]2CC[C@@H]1CC/C2=N\NC(N)=O 102318421 GGDFQMOYBOBMDF-CNAIJRAGSA-N 221.304 2.167 50 50 BEGA C[C@H](Cc1ccccc1)NC(=O)NCCCl 5022115 RPPAYBVAKVEDBE-SNVBAGLBSA-N 240.734 2.156 50 50 BEGA CSc1ccc(C=C(C#N)C#N)n1C 2532404 IVOHBVJNFIGEHY-UHFFFAOYSA-N 203.270 2.178 50 50 BEGA O=C(Cl)c1cc(F)ccc1[N+](=O)[O-] 37669277 DHNJQRSDZABGBP-UHFFFAOYSA-N 203.556 2.113 50 50 BEGA NC(=O)N/N=C1/[C@H]2C=C[C@@H](CC2)[C@H]2CCC[C@@H]12 102318963 VWJYVONTAXPYGK-YERJBWJCSA-N 233.315 2.023 50 50 BEGA C[C@@H]1[C@@H](NC(=O)CCl)CCC[C@H]1C 238855658 SJQAZCTZMYEFHA-VGMNWLOBSA-N 203.713 2.166 50 50 BEGA in-vitro C=CCn1cc2ccc(NC(=O)CCl)cc2n1 1875377964 SHGZRPYKGZDKEZ-UHFFFAOYSA-N 249.701 2.400 50 50 BEGA CC1(C)C/C(=N\NC(N)=O)[C@]2(C)CC=C[C@H]12 43761576 BAOFQKFUDFAMNB-UEPSEMFTSA-N 221.304 2.023 50 50 BEGA CCCN(CCC)C(=O)[C@H](Cl)CCl 101368541 RAQIKVGMCIKLQE-MRVPVSSYSA-N 226.147 2.481 50 50 BEGA COc1cc(CBr)ccc1C#N 164740058 DCBBEYJXIOWQPQ-UHFFFAOYSA-N 226.073 2.462 50 50 BEGA CCOC(=O)/C(C#N)=C\c1cccc(C#N)c1 169620336 IUQFOTOMLHSZIN-GHXNOFRVSA-N 226.235 2.028 50 50 BEGA c1cnc(SSc2ncccn2)nc1 165725 LJINHMVNIBCANU-UHFFFAOYSA-N 222.298 2.066 50 50 BEGA OCc1ccccc1CBr 43681915 JDBQNNKIOFSPOA-UHFFFAOYSA-N 201.063 2.074 50 50 BEGA in-vitro COC(=O)[C@@](C)(N=C=S)c1ccccc1 165502827 ADHKQMAZPNPPJA-NSHDSACASA-N 221.281 2.178 50 50 BEGA C[n+]1ccc(C=C(C#N)C#N)c2ccccc21 4800930 DKGVABZNZLFRRK-UHFFFAOYSA-N 220.255 2.095 50 50 BEGA O=C(N/N=C\c1cccs1)c1ccccc1O 5583612 OLDVIXVCAVKNTM-JYRVWZFOSA-N 246.291 2.218 50 50 BEGA CN(C)c1ccc(C(=O)CBr)cc1 5140548 YWNKTZFJKMGVRP-UHFFFAOYSA-N 242.116 2.330 50 50 BEGA in-vitro C[C@]1(CNC(=O)CCl)CCOC2(CCC2)C1 1353362027 TUUMUWOSQGNEES-NSHDSACASA-N 245.750 2.081 50 50 BEGA Cc1ccc(NC(=O)NCCCl)cc1 1662445 RXGRUNSDJGLKQI-UHFFFAOYSA-N 212.680 2.355 50 50 BEGA CN(C)NC(=O)Nc1cccc2ccccc12 1758599 VQEKFAGQRFPUGP-UHFFFAOYSA-N 229.283 2.438 50 50 BEGA C[C@@H](Cl)C(=O)N1CCc2ccccc21 2650153 DLXVQAFCFXWGFM-MRVPVSSYSA-N 209.676 2.203 50 50 BEGA in-vitro Cc1csc(NC(=O)[C@@H](C)Br)n1 4735922 NQKIOXSOJPKEKT-RXMQYKEDSA-N 249.133 2.173 50 50 BEGA Cc1cc([C@H](C)NC(=O)[C@@H](C)Cl)ccn1 1875369772 GUOQGBLJEFEBNA-BDAKNGLRSA-N 226.707 2.195 50 50 BEGA CNC(=O)/C(C#N)=C/c1cccc2ccccc12 1449209 PCWJYGSKTSIZDG-UKTHLTGXSA-N 236.274 2.493 50 50 BEGA CC1(C)C[C@@H](N=C=O)C[C@@](C)(CN=C=O)C1 8585908 NIMLQBUJDJZYEJ-ZYHUDNBSSA-N 222.288 2.243 50 50 BEGA in-vitro Cc1csc(NC(=O)[C@@H](C)Cl)n1 13609281 VYSWTGSZRCDFSD-RXMQYKEDSA-N 204.682 2.017 50 50 BEGA C[C@H](Cl)C(=O)N[C@H]1CC[C@]2(C1)CC2(F)F 1875369174 XKYDCOAVAQTEJN-ZKWXMUAHSA-N 237.677 2.308 50 50 BEGA O=C(O)[C@H](Br)Cc1ccccc1 2558010 WDRSCFNERFONKU-MRVPVSSYSA-N 229.073 2.077 50 50 BEGA in-vitro CC(=O)Nc1cccc(NC(=O)CCCl)c1 19093740 MJCVFZHCOZFNQX-UHFFFAOYSA-N 240.690 2.212 50 50 BEGA O=C(NNc1cccc(F)n1)c1cccs1 3041607 XFFDNVJYRQRDAH-UHFFFAOYSA-N 237.259 2.039 50 50 BEGA ClCc1ccc2nnc([C@H]3CCCO3)n2c1 34924932 SJVMASSOHNFTKR-SECBINFHSA-N 237.690 2.320 50 50 BEGA O=C(CBr)c1cccc(F)c1 166626 ITAQNNGDCNFGID-UHFFFAOYSA-N 217.037 2.403 50 50 BEGA in-vitro CC(C)(C)OC(=O)N1CCC(=CC#N)CC1 2509486 BXCZVPSAYHBSQZ-UHFFFAOYSA-N 222.288 2.467 50 50 BEGA in-vitro CO/N=C\N=C(O)\C(C#N)=C\c1cccs1 4633018 LTYRPCYRYGHODV-VMPITWQZSA-N 235.268 2.201 50 50 BEGA CCC/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 4707943 LNPMGYGODXDGPS-XYOKQWHBSA-N 235.243 2.111 50 50 BEGA Cc1ccc(N(N)C(=O)C2CCC2)cc1 757127006 JLCNAYORPLJHDN-UHFFFAOYSA-N 204.273 2.002 50 50 BEGA Cc1ncc(NC(=O)[C@@H](C)Cl)c(C2CC2)n1 1875377702 LMSYWOJTCRWPKF-ZCFIWIBFSA-N 239.706 2.228 50 50 BEGA COc1c(F)cccc1C(=O)CBr 95828969 VEXWUZXZXRQRTP-UHFFFAOYSA-N 247.063 2.412 50 50 BEGA in-vitro C[C@H](Cl)C(=O)NCC[C@@H]1C[C@@H]2C=C[C@H]1C2 1875375535 CXMSFKYGASOJLT-ZRUFSTJUSA-N 227.735 2.332 50 50 BEGA O=C(CCCl)Nc1ccc(F)cc1 2162158 WXMWLNAPEHYULF-UHFFFAOYSA-N 201.628 2.393 50 50 BEGA in-vitro Cc1[nH]nc2cc(NC(=O)CCl)ccc12 1775988719 COIOJKPCCBGANT-UHFFFAOYSA-N 223.663 2.049 50 50 BEGA CC[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 115419 DULJRAHNWCJXCR-QMMMGPOBSA-N 246.310 2.380 50 50 BEGA N#C/C(=C\c1c(Cl)cccc1Cl)C(N)=O 143899 COVHOFUKHXKEHE-GQCTYLIASA-N 241.077 2.386 50 50 BEGA N#Cc1ccccc1C(=O)CBr 2513555 WVWHVTKOWVMEIM-UHFFFAOYSA-N 224.057 2.136 50 50 BEGA CN(C(=O)CCl)C1CC(c2cccnc2)C1 1875370055 ZXWKHYGWDVVDQD-UHFFFAOYSA-N 238.718 2.025 50 50 BEGA O=C(NN=C1CCCC1)c1ccc(O)cc1 288740 DRNOWPHVKKHHST-UHFFFAOYSA-N 218.256 2.052 50 50 BEGA N#CSc1ccc2nc(N)sc2c1 17125685 FVNSRFMQXKMHTQ-UHFFFAOYSA-N 207.283 2.452 50 50 BEGA O=C1C[C@@H](Sc2ccc(Cl)cc2)C(=O)O1 100329119 HIWKLJYXQYYTRO-MRVPVSSYSA-N 242.683 2.274 50 50 BEGA COc1cc(C(=O)Cl)c(F)c(F)c1F 67800087 IRRCNIFBIKZTNR-UHFFFAOYSA-N 224.565 2.492 50 50 BEGA C[C@@](Cl)(CCl)C(=O)NCc1ccco1 71774037 ICEMDQGCLPYGQA-SECBINFHSA-N 236.098 2.132 50 50 BEGA CC1=C(C#N)C(c2ccncc2)C(C#N)=C(C)N1 19418937 BGQJZHSJWQFXCP-UHFFFAOYSA-N 236.278 2.364 50 50 BEGA NN(C(=O)OC1CCCC1)c1ccccc1 757127971 OATKTYKCLALYSI-UHFFFAOYSA-N 220.272 2.446 50 50 BEGA C[C@@H](Cl)C(=O)N[C@@H]1COCc2ccccc21 1875377173 AMNJEZKYSLTXCH-LDYMZIIASA-N 239.702 2.001 50 50 BEGA COc1cc(C(=O)Cl)cc(OC)c1OC 1586815 BUHYMJLFRZAFBF-UHFFFAOYSA-N 230.647 2.091 50 50 BEGA CC[C@H](Br)C(=O)N1CCC[C@@H](C)C1 32919731 HFLVSAVEBWENNL-BDAKNGLRSA-N 248.164 2.418 50 50 BEGA in-vitro C#C[C@H](C)N(C(=O)CCl)C1CCCCC1 1857787509 ZENWLULBJRVPEI-JTQLQIEISA-N 227.735 2.408 50 50 BEGA CC1(C)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C 169836808 CMEIPIQWFOZOAL-GUBZILKMSA-N 246.423 2.138 50 50 BEGA BrCc1ccc(-n2cncn2)cc1 158902 NOUAEJFAVOHNSY-UHFFFAOYSA-N 238.088 2.162 50 50 BEGA in-vitro CCCCCC(=O)NNC(=O)Nc1ccccc1 2779470 MPYGDCKXIRMKRX-UHFFFAOYSA-N 249.314 2.420 50 50 BEGA CC1C[C@@H](C)N(C(=O)CCl)[C@H](C)C1 71774059 CMIVKCKUCDZKCN-RKDXNWHRSA-N 203.713 2.261 50 50 BEGA O=Cc1cc(CCl)c2c(c1)COCO2 95221321 KKYGPQSGLFFAGI-UHFFFAOYSA-N 212.632 2.104 50 50 BEGA in-vitro O=C(Nc1cccc([N+](=O)[O-])c1)OCCCl 2164782 GJFUZJAIXRKMEV-UHFFFAOYSA-N 244.634 2.382 50 50 BEGA CC(C)(C)N(N)C(=O)OC1CCCC1 757126634 ILSAAGQQLWQCJY-UHFFFAOYSA-N 200.282 2.040 50 50 BEGA O=C(Cl)N(CCCl)CCCl 1698831 JAHXVUPWHXMPLG-UHFFFAOYSA-N 204.484 2.125 50 50 BEGA in-vitro Cc1ccc(F)c(NC(=O)CBr)c1 82506163 DMPYLKHYPGHYJJ-UHFFFAOYSA-N 246.079 2.468 50 50 BEGA C[C@H](Cl)C(=O)N1Cc2ccccc2CO1 1875366110 MSBDFUMEFQYYEX-QMMMGPOBSA-N 225.675 2.088 50 50 BEGA C[C@@H](Cl)C(=O)NC1CC(OC(C)(C)C)C1 1875378130 WEBQMZLHTKOAGC-AFPNSQJFSA-N 233.739 2.076 50 50 BEGA CC(=O)c1ccc(NC(=O)[C@H](C)Cl)cc1 349876 WDVDOXHJSQAQHL-ZETCQYMHSA-N 225.675 2.455 50 50 BEGA in-vitro CN(C)/C=C1\CCCCC1=C(C#N)C#N 55292673 BDKBGKKKTYGFAD-MDZDMXLPSA-N 201.273 2.350 50 50 BEGA CCOC(=O)/C(C#N)=C/c1ccc(OC)cc1 28237 KJKGDEVERRGVFA-DHZHZOJOSA-N 231.251 2.165 50 50 BEGA in-vitro O=C1ON=C(CCl)/C1=C\c1ccc(F)cc1 34926719 IPXJUQIZUGXVTC-WEVVVXLNSA-N 239.633 2.361 50 50 BEGA O=C(CCl)Nc1ccc(F)c(F)c1 153695 BGKVOCLZYDSHLA-UHFFFAOYSA-N 205.591 2.142 50 50 BEGA in-vitro O=C(NCc1ccccc1)C(Cl)Cl 299545 FVSBKXQDYFGZIC-UHFFFAOYSA-N 218.083 2.107 50 50 BEGA in-vitro Cc1sc2nc(CCl)[nH]c(=O)c2c1C 8743334 CEPFGYYJCYKRLO-UHFFFAOYSA-N 228.704 2.340 50 50 BEGA in-vitro CC#CC#Cc1ccc(C#C[C@H](O)CCl)s1 13386439 YSYBCKHAFOAQDX-NSHDSACASA-N 248.734 2.074 50 50 BEGA biogenic,in-vitro CCCCNC(=O)[C@H](Br)CC 32919606 HIIBXFFZNSTIGF-SSDOTTSWSA-N 222.126 2.076 50 50 BEGA C=CCO[Si](C=C)(OCC=C)OCC=C 169808652 QGBISTZTHSLEDF-UHFFFAOYSA-N 226.348 2.258 50 50 BEGA CC(=O)O[C@H](CCl)[C@H](Cl)CCl 1596964 CBGPTBHKLSQXGN-PHDIDXHHSA-N 219.495 2.003 50 50 BEGA O=C(Cl)c1ccc(Br)cn1 15020922 IJJINPZOASSMGD-UHFFFAOYSA-N 220.453 2.223 50 50 BEGA in-vitro CC[C@@H](Br)C(=O)N1CCC[C@@H](C)C1 32919729 HFLVSAVEBWENNL-RKDXNWHRSA-N 248.164 2.418 50 50 BEGA in-vitro N#Cc1cccc(C(=O)CBr)c1 166819 XWCGNFLHRINYCE-UHFFFAOYSA-N 224.057 2.136 50 50 BEGA biogenic,in-vitro N#CC1=C(N)CC[C@](C#N)(c2ccccc2)C1 410152 VSISRXTWVKPZMI-AWEZNQCLSA-N 223.279 2.368 50 50 BEGA C/C(=N\NC(=O)c1ccoc1C)c1ccccn1 440023 OGFCQTWCOCKSOE-OQLLNIDSSA-N 243.266 2.137 50 50 BEGA O=C=Nc1ccc(CCl)c(N=C=O)c1 2504698 LCJLEYPRGLFMGM-UHFFFAOYSA-N 208.604 2.360 50 50 BEGA CC1(C)OB(C(Cl)Cl)OC1(C)C 195966145 GQFQFYFLABSDDS-UHFFFAOYSA-N 210.897 2.422 50 50 BEGA Cc1ccc2c(=O)c(/C=C/C=O)coc2c1 2024644 WJXOXWYLGOBIEC-NSCUHMNNSA-N 214.220 2.314 50 50 BEGA biogenic O=C(CCl)NC[C@H]1CC[C@@H](C(F)(F)F)C1 1875376812 JGTIBKRUAWWMEN-NKWVEPMBSA-N 243.656 2.320 50 50 BEGA CCN1C(=C(C=O)C=O)Sc2ccccc21 2996664 SSJARROZESGRIP-UHFFFAOYSA-N 233.292 2.228 50 50 BEGA O=C(NCCCl)c1ccc2ccccc2n1 3122008 MOKRODNPAKJEMT-UHFFFAOYSA-N 234.686 2.203 50 50 BEGA COC(=O)c1cc(N=C=S)ccc1F 31829478 WLFBHFNUPHYHIR-UHFFFAOYSA-N 211.217 2.347 50 50 BEGA Cc1ccc(NC(=O)CCl)cc1F 3226941 KMMODUZPTOWVLF-UHFFFAOYSA-N 201.628 2.311 50 50 BEGA in-vitro CC(C)N1C[C@@H](CBr)CCC1=O 238182830 KLUMGEZNAICMMU-MRVPVSSYSA-N 234.137 2.028 50 50 BEGA O=C(CCl)NCc1ccc(Cl)cc1 153383 OGCPMNAEQFAPHN-UHFFFAOYSA-N 218.083 2.195 50 50 BEGA in-vitro O=C(O)[C@@H](Br)Cc1ccccc1 2558011 WDRSCFNERFONKU-QMMMGPOBSA-N 229.073 2.077 50 50 BEGA in-vitro COc1ccc(C(=O)CBr)cc1 159091 XQJAHBHCLXUGEP-UHFFFAOYSA-N 229.073 2.273 50 50 BEGA in-vitro C[C@H]1C[C@@H](C)CN(C(=O)CCCl)C1 5747796 LNSIPBCCURESMW-DTORHVGOSA-N 203.713 2.120 50 50 BEGA in-vitro O[C@@H](CBr)c1ccccc1 1995624 DAHHEUQBMDBSLO-QMMMGPOBSA-N 201.063 2.115 50 50 BEGA biogenic,in-vitro Cc1sccc1/C=N/NC(=O)c1ccco1 437124 JVFVFLPSENNMCE-KPKJPENVSA-N 234.280 2.413 50 50 BEGA O=C(Cl)c1ccc(F)c([N+](=O)[O-])c1 14989310 OJNVFOHHRJZBEG-UHFFFAOYSA-N 203.556 2.113 50 50 BEGA in-vitro O=C(Cl)COc1ccc2c(c1)CCC2 15014349 MZQAIEWMTIEPMC-UHFFFAOYSA-N 210.660 2.320 50 50 BEGA N#CC1=C(N)Oc2ccc3ccccc3c2C1 65336741 KGTWPNUXYAQGBC-UHFFFAOYSA-N 222.247 2.469 50 50 BEGA Cc1cc([C@H]2CCCN2C(=O)[C@@H](C)Cl)no1 1875364770 TWPIYSGLDHUXEO-PSASIEDQSA-N 242.706 2.274 50 50 BEGA CC(=O)Nc1ccc(C(=O)[C@@H](C)Cl)cc1 2028180 FWBXOIYYUSIMST-SSDOTTSWSA-N 225.675 2.455 50 50 BEGA in-vitro O=c1cc(CCl)nc2ccc(Cl)cn12 256197 VQYIAJIVEVIZOA-UHFFFAOYSA-N 229.066 2.087 50 50 BEGA in-vitro CCOC(=O)/C(C#N)=C(\S)Nc1ccccc1 15440426 AOZYOXJUXRMICF-KHPPLWFESA-N 248.307 2.327 50 50 BEGA N#Cc1cc(CBr)ccc1[N+](=O)[O-] 142392304 RWDUSMOYLGEMCJ-UHFFFAOYSA-N 241.044 2.361 50 50 BEGA Cn1c(CCl)nc2cc([N+](=O)[O-])ccc21 13281489 CHNOXQSJGAMOSS-UHFFFAOYSA-N 225.635 2.220 50 50 BEGA Cc1ccn2c(C(=O)Cl)c(C)nc2c1 73648009 GZRXUEZULQAJJU-UHFFFAOYSA-N 208.648 2.330 50 50 BEGA Cc1ccc(NC(=O)CBr)c(F)c1 82506156 CWOIAEAKAGNGSO-UHFFFAOYSA-N 246.079 2.468 50 50 BEGA COc1ccc(C(=O)NN=C2CCCC2)cc1 292241 VTQRKFAWRMSWMS-UHFFFAOYSA-N 232.283 2.355 50 50 BEGA O=C1OC(=O)c2cc(C#Cc3ccccc3)ccc21 100006981 UPGRRPUXXWPEMV-UHFFFAOYSA-N 248.237 2.397 50 50 BEGA in-vitro O=C1C[C@]23CC=CC[C@]2(CCCC3)C(=O)O1 101050170 ZMCYGHLKWXDTLW-OLZOCXBDSA-N 220.268 2.357 50 50 BEGA CC[C@H](NC(=O)CCl)c1ccccc1O 1875363957 FTAROILPRJLPLL-VIFPVBQESA-N 227.691 2.198 50 50 BEGA COc1ccc(-c2noc(CCl)n2)cc1 163038 DNEALSFRYSYSDL-UHFFFAOYSA-N 224.647 2.484 50 50 BEGA in-vitro CCOC(=O)Oc1ccc([N+](=O)[O-])cc1 5325917 OFJLSOXXIMLDDL-UHFFFAOYSA-N 211.173 2.130 50 50 BEGA ClC[C@@H]1CN(c2ccccc2)CCO1 141876819 RUKGENFOLCBVLY-LLVKDONJSA-N 211.692 2.131 50 50 BEGA CCOC(=O)/C(C#N)=C/c1ccccc1[N+](=O)[O-] 76161 CZPQZBRWWGSHSL-JXMROGBWSA-N 246.222 2.065 50 50 BEGA O=C(N/N=C/c1ccccc1O)c1ccccc1 130832 WKIWEDKDZPIULI-XNTDXEJSSA-N 240.262 2.156 50 50 BEGA CC(=O)N/N=C/c1cccc2ccccc12 566663 FDOBVNFLAFPQNL-NTEUORMPSA-N 212.252 2.310 50 50 BEGA C[C@@H]1Cc2ccccc2N1C(=O)CCl 3245252 FVXKYKPCJPPTCB-MRVPVSSYSA-N 209.676 2.203 50 50 BEGA in-vitro Cl[C@@H](Br)CBr 100075114 DVTKTUMRXCKEEG-UWTATZPHSA-N 222.307 2.341 50 50 BEGA N#CC(C#N)=CCc1cccc([N+](=O)[O-])c1 121609 YLVFCQRFVCPJKT-UHFFFAOYSA-N 213.196 2.111 50 50 BEGA COc1ccc(Pc2ccc(OC)cc2)cc1 100025504 FWKICRREDMVWRF-UHFFFAOYSA-N 246.246 2.333 50 50 BEGA CCCCCC[Si](OC)(OC)OC 169745004 CZWLNMOIEMTDJY-UHFFFAOYSA-N 206.358 2.445 50 50 BEGA in-vitro C[C@@H](Cl)C(=O)N1Cc2ccccc2CO1 1875366109 MSBDFUMEFQYYEX-MRVPVSSYSA-N 225.675 2.088 50 50 BEGA CC(C)c1ocnc1CNC(=O)[C@@H](C)Cl 1875368941 IXAYWJPDAJKXFT-SSDOTTSWSA-N 230.695 2.042 50 50 BEGA C[C@H](Cl)C(=O)N[C@H]1CC[C@@]2(C1)CC2(F)F 1875369171 XKYDCOAVAQTEJN-ACLDMZEESA-N 237.677 2.308 50 50 BEGA Cc1ccc(-c2nnc(CCl)o2)n1C 1425364 HMGDDAIFZHFGLQ-UHFFFAOYSA-N 211.652 2.122 50 50 BEGA in-vitro CC1(C)C2=CCC[C@H]2CC/C1=N\NC(N)=O 16952671 FEQDXVPSJQJFAJ-NGHKRQAXSA-N 221.304 2.167 50 50 BEGA C[C@H](Cl)CN(C[C@H](C)Cl)C(=O)CCl 101368529 JMUDIQWZFWZCBH-BQBZGAKWSA-N 246.565 2.308 50 50 BEGA C[C@@H](/C=N/NC(=O)C1CC1)c1ccccc1 4997486 LVHPHJBIILMVIG-RSYJBZMQSA-N 216.284 2.302 50 50 BEGA C/C=C/[C@H](C/C=N/NC(N)=O)Cc1ccccc1 43762114 ANDAHEHTUPYFIF-LCZBUBRBSA-N 245.326 2.466 50 50 BEGA C[C@@H](Cl)C(=O)Nc1ncccc1Cl 74941416 MHZTWUUMRFOKHE-RXMQYKEDSA-N 219.071 2.301 50 50 BEGA CCc1cnccc1[C@@H](C)NC(=O)[C@@H](F)Cl 2325897923 MTEPZNWHHYQINL-GMSGAONNSA-N 244.697 2.356 50 50 BEGA Cc1ccc([C@@H]2CC(=O)C(C#N)=C(N)C2)s1 100783265 VOMMAYXANWXBDW-QMMMGPOBSA-N 232.308 2.239 50 50 BEGA COC(=O)/C(C#N)=C/c1ccc(C)cc1C 2766075 OILXDTRQTRVRCH-KPKJPENVSA-N 215.252 2.383 50 50 BEGA C/C(=N\NC(=O)Cc1ccccc1)c1ccco1 5010095 DREIAAGDKBHGCZ-RVDMUPIBSA-N 242.278 2.363 50 50 BEGA CC(C)C[C@@H]1C[C@H](NC(=O)[C@H](C)Cl)CCO1 1875378070 VGOJCMFYHNEYQD-HBNTYKKESA-N 247.766 2.324 50 50 BEGA O=c1sc2ccccc2n1CCCl 375158 VZRAYMNDMPDPBO-UHFFFAOYSA-N 213.689 2.302 50 50 BEGA Cc1ccccc1NC(=O)CBr 1555600 AYLPWFVMBCQRGR-UHFFFAOYSA-N 228.089 2.328 50 50 BEGA COc1cc(NC(=O)[C@H](C)Cl)cc(OC)c1 3379401 YKVARERADBTJAG-ZETCQYMHSA-N 243.690 2.270 50 50 BEGA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)NN 4409689 PYLNEFCRGMTUJK-KXUCPTDWSA-N 214.309 2.047 50 50 BEGA O=C1ON=C(CCl)/C1=C\c1cccs1 34926727 VGLLAGLVHKOFFO-QPJJXVBHSA-N 227.672 2.283 50 50 BEGA ClCc1nnnn1-c1ccc(Cl)cc1 6658016 GOJJROXYRARSPU-UHFFFAOYSA-N 229.070 2.055 50 50 BEGA CC(=O)OC[C@@H](Cl)[C@@H](Cl)CCl 1596958 YJZNPEOYUFNCNW-NTSWFWBYSA-N 219.495 2.003 50 50 BEGA O=C(N/N=C/c1ccco1)c1cccc(F)c1 75563 AGNILEZEUXUFOJ-RIYZIHGNSA-N 232.214 2.183 50 50 BEGA COc1cccc(-c2nnc(CCl)o2)c1 9280312 WQEYFJNCHQGZEX-UHFFFAOYSA-N 224.647 2.484 50 50 BEGA in-vitro CCOC(=O)C(C#N)=C(SC)SC 2512400 POABRARINOCORV-UHFFFAOYSA-N 217.315 2.011 50 50 BEGA biogenic,in-vitro CC[C@@H](Br)C(=O)c1ccccn1 40456695 PMAMKVXETFDLHM-SSDOTTSWSA-N 228.089 2.438 50 50 BEGA in-vitro CN(C)/C=C(\C#N)c1ccc([N+](=O)[O-])cc1 2243972 IGBVLYYSSUTYNN-CSKARUKUSA-N 217.228 2.021 50 50 BEGA COc1ccc(NC(=O)[C@@H](C)Cl)cc1 3957990 DGAWNIKUBVWNHS-SSDOTTSWSA-N 213.664 2.261 50 50 BEGA in-vitro BrCCOC1CCSCC1 253185976 QPJLIXOZUSEUCS-UHFFFAOYSA-N 225.151 2.294 50 50 BEGA ClCc1cccn2c([C@H]3CCCO3)nnc12 40449848 ZNRSUIZCZGUJNY-SECBINFHSA-N 237.690 2.320 50 50 BEGA O=C(N/N=C/c1ccccc1)[C@@H]1CC12CCC2 15636351 BILMQHAVCCRUKW-XBUHWIKASA-N 228.295 2.327 50 50 BEGA CCC[C@@H](C)C(=O)NNC(=O)[C@H](C)CCC 2173718 AEKJSSRPLJMRKD-NXEZZACHSA-N 228.336 2.006 50 50 BEGA CC(C)(C)C(=O)NNc1cccc(Cl)n1 1394444 AFSOTYPNBBOKCT-UHFFFAOYSA-N 227.695 2.224 50 50 BEGA O=C(F)[C@](F)(Br)C(F)(F)F 4329269 GHRAJKIIZHDCNR-UWTATZPHSA-N 226.926 2.106 50 50 BEGA biogenic CC[C@@H](Br)C(=O)NCc1ccco1 26421158 YSGKOBRBIUBVRW-MRVPVSSYSA-N 246.104 2.069 50 50 BEGA COc1ccc(C=O)cc1OCCl 333615 AAUACJYYCWDBKV-UHFFFAOYSA-N 200.621 2.083 50 50 BEGA COC(=O)CCCCCCC(=O)Cl 2504739 RKUPOLBFJIEWBZ-UHFFFAOYSA-N 206.669 2.265 50 50 BEGA in-vitro C[C@H](Cl)CN(C[C@@H](C)Cl)C(=O)CCl 101368533 JMUDIQWZFWZCBH-KNVOCYPGSA-N 246.565 2.308 50 50 BEGA Oc1ccc(OCCBr)cc1 12471074 YKHKGUAWZWOFDH-UHFFFAOYSA-N 217.062 2.166 50 50 BEGA in-vitro CN(C)NC(=O)Nc1cccc(C(F)(F)F)c1 2147325 YEAMESWUEAOOCR-UHFFFAOYSA-N 247.220 2.304 50 50 BEGA Cc1cc(C(=O)Cl)n(C(C)(C)C)n1 2150012 QHWPUBKIGZTZRC-UHFFFAOYSA-N 200.669 2.326 50 50 BEGA in-vitro C[C@H]1Cc2ccccc2N1C(=O)CCl 3245251 FVXKYKPCJPPTCB-QMMMGPOBSA-N 209.676 2.203 50 50 BEGA in-vitro C[C@@H]1C[C@@H](O)CN(/C(=C/C#N)c2ccccc2)C1 832717991 OIMNMTXLWDBLDV-IKFVMRECSA-N 242.322 2.254 50 50 BEGA CCOC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1 28240 YVACJZRCOWZWPY-JXMROGBWSA-N 246.222 2.065 50 50 BEGA Cc1ccc(NC(=O)NN(C)C)cc1Cl 2161731 UUUGPIOBRXWZTK-UHFFFAOYSA-N 227.695 2.247 50 50 BEGA O=C1C[C@H](CCl)CN1c1ccccc1 221527382 PSRXERCLSVATAY-SECBINFHSA-N 209.676 2.278 50 50 BEGA CN1/C(=C/C=O)C(C)(C)c2ccccc21 225702 GCECACVNILMTRD-XYOKQWHBSA-N 201.269 2.497 50 50 BEGA COC(=O)c1ccc2nc(CCl)oc2c1 8729970 LECWBXGOABFMSA-UHFFFAOYSA-N 225.631 2.353 50 50 BEGA in-vitro O[C@@H]1c2ccccc2C[C@@H]1Br 337061 RTESDSDXFLYAKZ-DTWKUNHWSA-N 213.074 2.040 50 50 BEGA CNC[C@H](Cl)c1ccc(OC(C)=O)cc1 33979688 VZCQEZNQVVYTJC-NSHDSACASA-N 227.691 2.111 50 50 BEGA in-vitro CC1(C)C[C@@]23CC=CC[C@@]2(C1)C(=O)OC3=O 101049581 IKRVAKQHZWVSRW-CHWSQXEVSA-N 220.268 2.213 50 50 BEGA CCOC(=O)/C(C#N)=C/Nc1ccc(F)cc1 13399607 ZOKKIXIAQHYRFY-CMDGGOBGSA-N 234.230 2.208 50 50 BEGA CCOC(=O)C[C@H](N=C=O)c1ccccc1 32919474 FIILOKZYNQADIS-NSHDSACASA-N 219.240 2.017 50 50 BEGA CC[C@@]1(C)CC(=O)N(CCCCCl)C1=O 148607734 UYBFUZXRIPADLM-NSHDSACASA-N 231.723 2.181 50 50 BEGA O=S1(=O)C[C@]23CCCC[C@@]2(CC3)[C@@H]1Cl 216351415 BJJXKSWXELLVLY-OPRDCNLKSA-N 234.748 2.320 50 50 BEGA CCOC(=O)[C@H](Cc1ccccc1)SC#N 2913772 AXENCQUEXAKAMK-NSHDSACASA-N 235.308 2.375 50 50 BEGA CC[C@@](C)(C=NNC(N)=O)c1ccccc1 254398949 OOHSBCHKDYCRMX-LBPRGKRZSA-N 219.288 2.008 50 50 BEGA COC(=O)c1ccccc1NC(=O)CCCl 2577761 OWAOXUCRJSRPHS-UHFFFAOYSA-N 241.674 2.041 50 50 BEGA C[C@H](Cl)C(=O)Nc1ccc2ncn(C)c2c1 1875376421 WNISEJHCAOFYNV-ZETCQYMHSA-N 237.690 2.139 50 50 BEGA O=C(NCCCl)Nc1ccc(F)c(F)c1 1185107669 CCIKTRZLAGTVRI-UHFFFAOYSA-N 234.633 2.325 50 50 BEGA CC(=O)c1cccc(NC(=O)[C@@H](C)Cl)c1 3270822 XOZSNAKRDBYVOT-SSDOTTSWSA-N 225.675 2.455 50 50 BEGA in-vitro CC(C)(C)c1nc(CNC(=O)CCl)cs1 1875364855 WJVAYINOZRBPGH-UHFFFAOYSA-N 246.763 2.296 50 50 BEGA C#C[C@H](NC(=O)CCl)[C@@H]1CCc2ccccc21 1875377288 BLOGYKYDCGGFEV-OLZOCXBDSA-N 247.725 2.073 50 50 BEGA O=C(N/N=C/c1ccc[nH]1)c1cccc(Cl)c1 125335 PJHQFUITTWIGBM-OVCLIPMQSA-N 247.685 2.432 50 50 BEGA O=C(CCCCl)NCc1ccccc1 2166760 XAHRBZIFIFYQDA-UHFFFAOYSA-N 211.692 2.322 50 50 BEGA O=C(CCCl)N1CCc2ccccc2C1 4742367 GTULEGORBUAEBJ-UHFFFAOYSA-N 223.703 2.200 50 50 BEGA in-vitro C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Cl 6251221 LUSJVEATDQEPDS-ZCFIWIBFSA-N 229.619 2.128 50 50 BEGA CC(=O)N/N=C(C)/C=C/c1ccccc1 20828291 HEGJEOJCUMZSJB-PEGOPYGQSA-N 202.257 2.212 50 50 BEGA CC(=O)N/N=C/c1cc2ccccc2nc1Cl 1090788 JUFVIRDOVPTZKC-VGOFMYFVSA-N 247.685 2.358 50 50 BEGA C/C(=N\NC(=O)c1ccncc1)c1ccccc1 4614028 KBNUSICRUXGHRJ-LFIBNONCSA-N 239.278 2.236 50 50 BEGA CCCN(CCC)C(=O)[C@@H](Cl)CCl 101368544 RAQIKVGMCIKLQE-QMMMGPOBSA-N 226.147 2.481 50 50 BEGA Cn1ccc2cccc(NC(=O)CCl)c21 1875374843 HCOXTLYAYZLMPO-UHFFFAOYSA-N 222.675 2.356 50 50 BEGA CC(=N\OCCCl)/C(C)=N/OCCCl 5289691 ZOYOBMVBDJGBEH-MKICQXMISA-N 241.118 2.249 50 50 BEGA C/C(=N/NC(=O)c1ccc(O)cc1)c1ccco1 4964229 ARLQCCFDXOTVOW-ZROIWOOFSA-N 244.250 2.139 50 50 BEGA COc1nc(CCl)nc2ccsc12 95635060 HYQNRHYEKACMKH-UHFFFAOYSA-N 214.677 2.439 50 50 BEGA in-vitro N#CCCC(OCCCl)OCCCl 101083365 REXJNSHAIQJIAR-UHFFFAOYSA-N 226.103 2.127 50 50 BEGA COc1ccc(NC(=O)[C@H](C)Cl)c(OC)c1 19433895 YMDDVJHJHFHNRQ-ZETCQYMHSA-N 243.690 2.270 50 50 BEGA CCOC(=O)[C@@H](Br)C1CCC1 307742195 TYURMPYVEWURHR-ZETCQYMHSA-N 221.094 2.113 50 50 BEGA O=C(CBr)Nc1ccccc1 1672991 DCPLOIFDMMEBQZ-UHFFFAOYSA-N 214.062 2.020 50 50 BEGA in-vitro O=C(CCl)NCc1ccccc1Cl 2162135 VBEJPDDXBGNGEA-UHFFFAOYSA-N 218.083 2.195 50 50 BEGA in-vitro COc1ccc(/C=C(\C#N)C(=O)O)cc1Cl 25539878 RNAVRFMVJTUERY-XBXARRHUSA-N 237.642 2.340 50 50 BEGA CC(C)c1ccc([C@@H]2CC(=O)OC2=O)cc1 101477437 QSHDPBIZBSOQPQ-NSHDSACASA-N 218.252 2.367 50 50 BEGA N#C/C(=C\c1cccc2ccccc12)C(N)=O 143927 AVMHTBJNERNMNF-XYOKQWHBSA-N 222.247 2.232 50 50 BEGA FC(F)C(F)(F)CI 2566215 VOUMUNAZCCDSHT-UHFFFAOYSA-N 241.953 2.322 50 50 BEGA CC[C@H](Br)C(=O)NCc1ccco1 26421162 YSGKOBRBIUBVRW-QMMMGPOBSA-N 246.104 2.069 50 50 BEGA CC(C)CC(=O)N(N)c1ccc(F)cc1 757127575 LTRNVOQGAIWTPN-UHFFFAOYSA-N 210.252 2.079 50 50 BEGA O=C(CCl)N1CC(CCc2ccccc2)C1 2325890740 CGLUYPIMMOFUJQ-UHFFFAOYSA-N 237.730 2.316 50 50 BEGA NC(=O)CCCC[C@H]1CCSS1 1532582 FCCDDURTIIUXBY-ZETCQYMHSA-N 205.348 2.186 50 50 BEGA endogenous,world BrCc1ccc2[nH]ncc2c1 19045760 ZTVQCRFGLVAFEC-UHFFFAOYSA-N 211.062 2.458 50 50 BEGA in-vitro CC(C)Cc1cc(C(=O)NN)c2ccccc2n1 2737923 DPQRSHMFGGQXEF-UHFFFAOYSA-N 243.310 2.037 50 50 BEGA C[C@H](Cl)C(=O)N(C)Cc1cc(C#N)cs1 1875367069 WTLJQOPZRMPPCD-ZETCQYMHSA-N 242.731 2.205 50 50 BEGA O=C(CBr)OCc1ccccc1 1733846 JHVLLYQQQYIWKX-UHFFFAOYSA-N 229.073 2.125 50 50 BEGA in-vitro C[C@@H]1CCc2sccc2/C(=N\NC(N)=O)C1 5023601 JQBOMVUAVBQUTI-ITYGHDGBSA-N 237.328 2.093 50 50 BEGA CCOC(=O)N/N=C(\C)c1ccc(F)cc1 4989562 JONQCWKGOXQLAV-MDWZMJQESA-N 224.235 2.296 50 50 BEGA CCOC(=O)/C(C#N)=C/c1ccc[nH]c1=S 252487832 IBZVSPQSODMIIL-RMKNXTFCSA-N 234.280 2.214 50 50 BEGA C[C@H](NC(=O)CBr)c1ccccc1 9877325 RNCXLSVGMXDLOZ-QMMMGPOBSA-N 242.116 2.259 50 50 BEGA C[C@H](Cl)C(=O)Nc1ncccc1Cl 74941413 MHZTWUUMRFOKHE-YFKPBYRVSA-N 219.071 2.301 50 50 BEGA CC(=O)SCCCCBr 86033190 ABARMQVSPZAYRI-UHFFFAOYSA-N 211.124 2.441 50 50 BEGA C[C@@H](Cl)[C@@H](C)NC(=O)c1ccccc1 5532635 NPCYOUSWNRUZOW-RKDXNWHRSA-N 211.692 2.432 50 50 BEGA C[C@@]12CC=CC[C@]1(c1ccccc1)C(=O)OC2=O 101139097 SOJJWCICGVKZNF-GJZGRUSLSA-N 242.274 2.364 50 50 BEGA C#CCCCOc1ccc(C(=O)Cl)cn1 263624180 OCQBUCQUHMJNMR-UHFFFAOYSA-N 223.659 2.253 50 50 BEGA C/C(=N/NC(=O)c1ccncc1)c1cccs1 42545 ZVBINISUCJCXIC-ZROIWOOFSA-N 245.307 2.297 50 50 BEGA O=C(NC1CCCCC1)OCCCl 2171180 IQOIQWDXROAQBS-UHFFFAOYSA-N 205.685 2.284 50 50 BEGA ClCc1cn(Cc2ccnc(Cl)c2)nn1 328579517 NBIBYXNTKAPJJA-UHFFFAOYSA-N 243.097 2.114 50 50 BEGA O=C(CBr)c1ccccc1F 2565173 QDNWNJSLWKHNTM-UHFFFAOYSA-N 217.037 2.403 50 50 BEGA in-vitro O=C(O)c1cccc(CBr)c1 4203943 FTPAHNNMUYOHOB-UHFFFAOYSA-N 215.046 2.280 50 50 BEGA biogenic,in-vitro CCOC(=O)c1cccc(CBr)n1 14984298 LEYJOYYSNHBEEE-UHFFFAOYSA-N 244.088 2.153 50 50 BEGA Cc1cnc(CN(C(=O)CCl)C(C)C)s1 1875369879 NUVQWTLSYKRPDI-UHFFFAOYSA-N 246.763 2.427 50 50 BEGA Cc1ccc(S(=O)(=O)CBr)cc1 1656386 KMWBOUMDQCYJHD-UHFFFAOYSA-N 249.129 2.121 50 50 BEGA O=C(CCCl)Nc1ccc(Cl)cn1 5716009 DNATUHBQLSJLTJ-UHFFFAOYSA-N 219.071 2.302 50 50 BEGA O=C(CCl)N1CCCc2cc(F)cc(F)c21 308925468 RCRKFUULFRZLTP-UHFFFAOYSA-N 245.656 2.483 50 50 BEGA N#CC1=C(N)CC[C@@](C#N)(c2ccccc2)C1 410153 VSISRXTWVKPZMI-CQSZACIVSA-N 223.279 2.368 50 50 BEGA COC(=O)N/N=C/c1ccccc1Cl 491915 CRQYZVSUKGORJG-IZZDOVSWSA-N 212.636 2.030 50 50 BEGA O=C(Cl)c1ccc(C(=O)Cl)cc1 38141445 LXEJRKJRKIFVNY-UHFFFAOYSA-N 203.024 2.445 50 50 BEGA O=S1(=O)C[C@]23CC=CC[C@]2(CC3)[C@H]1Cl 45069384 PGYMHWHBBBQCOG-AEJSXWLSSA-N 232.732 2.096 50 50 BEGA N#CC(C#N)=Cc1ccc([N+](=O)[O-])s1 95632 WXXTURWZZJSFKU-UHFFFAOYSA-N 205.198 2.087 50 50 BEGA N#C/C(=C\c1ccc(Cl)cc1)C(=O)O 3246533 MXCRRKYUQNHWLJ-VMPITWQZSA-N 207.616 2.332 50 50 BEGA in-vitro O=S1(=O)C[C@]23CC=CC[C@@]2(CCC3)[C@@H]1Cl 101045280 UOJKVQLSIHFTMP-GMTAPVOTSA-N 246.759 2.486 50 50 BEGA CC[C@H](NC(=O)CCl)c1c(C)noc1C 1329862512 IPOZQMZBGCKBJD-QMMMGPOBSA-N 230.695 2.098 50 50 BEGA N#CC(NC(=O)C1CCC1)=C(Cl)Cl 1857798576 OXAYQJOATMPAQN-UHFFFAOYSA-N 219.071 2.073 50 50 BEGA Cc1noc(C)c1-c1nc(CCl)no1 164998 UBNGKQCKUVRCGR-UHFFFAOYSA-N 213.624 2.080 50 50 BEGA in-vitro CN(C(=O)CCl)c1ccc(F)cc1 32117971 OEMQNRFKYTXLFR-UHFFFAOYSA-N 201.628 2.027 50 50 BEGA CCOC(=O)/C(C#N)=C\Nc1ccc(OC)cc1 13399603 ALXBEFGGJFWDHG-KTKRTIGZSA-N 246.266 2.078 50 50 BEGA O=C(N/N=C/c1ccccc1)c1ccccc1 130679 RISHSDLMXPLIHT-RVDMUPIBSA-N 224.263 2.451 50 50 BEGA CCOC(=O)CC[C@H](C)Br 1766052 CTVCPHLFHPQRNF-LURJTMIESA-N 209.083 2.113 50 50 BEGA in-vitro O[C@H](CBr)c1ccc(F)cc1 34529801 BLCAVFHRXRACAU-MRVPVSSYSA-N 219.053 2.254 50 50 BEGA Cn1nc(C(F)(F)F)cc1CBr 167120498 HYOKGGPDWIXPJN-UHFFFAOYSA-N 243.026 2.334 50 50 BEGA C[C@H]1Cc2ccc(F)cc2[C@H]1NC(=O)CCl 1875364203 IOIQRHVZIILYNW-MADCSZMMSA-N 241.693 2.414 50 50 BEGA COc1ccc2[nH]ccc2c1NC(=O)CCl 1875375101 RCSOWRFMUTYEAP-UHFFFAOYSA-N 238.674 2.354 50 50 BEGA O[C@H]1c2ccccc2CC[C@H]1Br 3075558 OTLLBSSGPSQQJY-ZJUUUORDSA-N 227.101 2.430 50 50 BEGA CC(C)(C=O)SSC(C)(C)C=O 5439934 HNGVMXJRVDXZPD-UHFFFAOYSA-N 206.332 2.323 50 50 BEGA C[C@@H](Cl)C(=O)N[C@@H]1COc2ccc(F)cc21 1875378062 VBVCGEJPWCWTEJ-HZGVNTEJSA-N 243.665 2.003 50 50 BEGA COc1cc(C=C(C#N)C#N)cc(OC)c1OC 97160 SHANJVNUXNVEJC-UHFFFAOYSA-N 244.250 2.143 50 50 BEGA CCOC(=O)/C(C#N)=C/c1ccsc1 101103 VUIZJFXISSCVIJ-WEVVVXLNSA-N 207.254 2.218 50 50 BEGA S=C=Nc1ccc(N2CCOCC2)cc1 158850 AXUXRZZYZBZQAR-UHFFFAOYSA-N 220.297 2.258 50 50 BEGA CC[C@H](Br)C(=O)NC1CCCC1 9355876 WBRJZNYXASAEPH-QMMMGPOBSA-N 234.137 2.219 50 50 BEGA C[C@H]([C@@H](Br)C(=O)O)C(F)(F)F 16159813 QTQIBOJDKKPPQG-PWNYCUMCSA-N 234.999 2.033 50 50 BEGA O=C([C@H]1CCCS1)N1CCSSCC1 888092927 RAGUEJKOZMOSPX-MRVPVSSYSA-N 249.426 2.106 50 50 BEGA O=C(CCl)NC[C@@]12CCCC[C@@H]1C2(F)F 1875377688 KXXXGBOYQWMATE-CBAPKCEASA-N 237.677 2.167 50 50 BEGA BrCc1cn2ccsc2n1 78823 VMKPKJCYGJDZBF-UHFFFAOYSA-N 217.091 2.291 50 50 BEGA C[C@@H](Br)C(=O)NC1CCCCC1 9356182 DFYATVAAOOEQOX-SSDOTTSWSA-N 234.137 2.219 50 50 BEGA Cc1ccc(/C=N/NC(=O)c2ccncc2)cc1 61330 IOCMMFJXHNVXLH-MHWRWJLKSA-N 239.278 2.154 50 50 BEGA COC(=O)c1ccc(OC)c(CCl)c1 2559737 GGMLVQZGDANIEE-UHFFFAOYSA-N 214.648 2.221 50 50 BEGA in-vitro C#CC(C)(C)N(CC(C)C)C(=O)CCl 1875391614 JNNLOWKCBWLGPQ-UHFFFAOYSA-N 215.724 2.122 50 50 BEGA CC(C)(C)OC(=O)CCBr 1631297 RMWVUWLBLWBQDS-UHFFFAOYSA-N 209.083 2.113 50 50 BEGA in-vitro CO[C@H](C)CCC(=O)NNc1ccc(F)cc1 183024656 JUZLMZVNJVHRKM-SECBINFHSA-N 240.278 2.084 50 50 BEGA CCC1(CC)[C@@H](N(C)C(=O)CCl)C[C@H]1OC 1341523779 ISYYLDMVCAOIGV-VHSXEESVSA-N 247.766 2.277 50 50 BEGA C#CC[C@@H](NC(=O)CCl)c1ccccc1 1875389909 MAIDHKIXGPMCAY-LLVKDONJSA-N 221.687 2.106 50 50 BEGA O[C@@H](CCl)CSc1ccccc1 38235408 MJMJXSXVAGXQRF-QMMMGPOBSA-N 202.706 2.378 50 50 BEGA CC(C)(C)[Si](C)(C)OC1CC(=O)OC(=O)C1 169744729 RXAJGRHLLRGVSB-UHFFFAOYSA-N 244.363 2.240 50 50 BEGA O[C@@H]1[C@@H](Cl)[C@H]2C[C@H]1C(F)(F)[C@]2(F)Cl 239235253 VQTGDXWDCHAADO-PQMKYFCFSA-N 235.032 2.144 50 50 BEGA COc1ccc([C@@H](Br)C(=O)O)cc1 5640148 QHYJNYKGUSUPMN-MRVPVSSYSA-N 245.072 2.216 50 50 BEGA CO[Si](C)(CC[C@@H]1CC[C@@H]2O[C@H]2C1)OC 200365420 SLQTWNAJXFHMHM-DCAQKATOSA-N 230.380 2.309 50 50 BEGA N#CCC(=O)NN=C1CCCCCCC1 432141 HFQQVLCSYNRDQY-UHFFFAOYSA-N 207.277 2.117 50 50 BEGA N#CC(C#N)=Cc1cccn1-c1nccs1 1393540 HEAUVSHUZDUNIH-UHFFFAOYSA-N 226.264 2.364 50 50 BEGA O=C(CCl)c1cc(F)c(F)cc1O 306726652 ZWPILJHXWSMNER-UHFFFAOYSA-N 206.575 2.092 50 50 BEGA C=C1CC(C(=O)N/N=C/c2ccc(OC)cc2)C1 408718159 NHPWVJWLOKUSHX-OQLLNIDSSA-N 244.294 2.112 50 50 BEGA CSc1ccc(CCNC(=O)CCl)cc1 32920033 OZNZGAXEWCGZPQ-UHFFFAOYSA-N 243.759 2.306 50 50 BEGA O=C(CCl)NCCc1c[nH]c2ccccc12 153540 VUOXPQXFKCXXFF-UHFFFAOYSA-N 236.702 2.065 50 50 BEGA biogenic,in-vitro O=C(CCl)NCc1cccc(Cl)c1 161032 FWJMEAXKWGEGLQ-UHFFFAOYSA-N 218.083 2.195 50 50 BEGA in-vitro COc1ccc(C=C(C#N)C#N)c(OC)c1 284688 VNSYEOGIEARFNL-UHFFFAOYSA-N 214.224 2.134 50 50 BEGA CCCCCCN1C(=O)CSC1=C(C#N)C#N 504253207 DFPFMNGWPUTNGQ-UHFFFAOYSA-N 249.339 2.401 50 50 BEGA O=[N+]([O-])c1ccc(-c2nnc(CCl)o2)cc1 303855 RFQRLMXKFHKCIW-UHFFFAOYSA-N 239.618 2.384 50 50 BEGA O=[N+]([O-])c1cccc2oc(CCl)nc12 12336777 RTWKRGSOUYVHPR-UHFFFAOYSA-N 212.592 2.475 50 50 BEGA O=C(NNc1nc2ccccc2s1)C1CC1 439933 XGBXXXNEGNJDPP-UHFFFAOYSA-N 233.296 2.149 50 50 BEGA CC1CCC(NC(=O)N(CCCl)N=O)CC1 3874951 FVLVBPDQNARYJU-UHFFFAOYSA-N 247.726 2.497 50 50 BEGA biogenic,in-man Cc1ccc(NC(=O)CBr)cc1 1555553 PJQGCAMZLLGJBY-UHFFFAOYSA-N 228.089 2.328 50 50 BEGA in-vitro CCOC(=O)[C@H](N=C=S)c1ccccc1 40457224 SGAJVPQXVYYRGG-SNVBAGLBSA-N 221.281 2.394 50 50 BEGA O=C(Cl)c1ccccc1C(=O)Cl 59654810 FYXKZNLBZKRYSS-UHFFFAOYSA-N 203.024 2.445 50 50 BEGA in-vitro CN1C(=C(C#N)C#N)Sc2ccccc21 408286 ZDVFTVDBIOHVSN-UHFFFAOYSA-N 213.265 2.487 50 50 BEGA N#Cc1ccc(C(=O)CBr)s1 11919432 LUKVPYYHLIYJSW-UHFFFAOYSA-N 230.086 2.197 50 50 BEGA in-vitro CN(C(=O)CBr)c1ccccc1 2011622 YLDILLQKQASWBA-UHFFFAOYSA-N 228.089 2.044 50 50 BEGA in-vitro O=C(Cl)c1cc(F)c(F)cc1[N+](=O)[O-] 50016996 XMDTVBHFULRTBH-UHFFFAOYSA-N 221.546 2.252 50 50 BEGA C[C@H](Cl)C(=O)NC[C@@H]1CCO[C@H]1C(C)(C)C 1875380452 PDTWHQNJOXSDEA-LPEHRKFASA-N 247.766 2.181 50 50 BEGA O=C(CCl)O[C@@H]1CC[C@@H]2CCC[C@@H]21 71786721 FZXXPLJDNJTHEX-XHNCKOQMSA-N 202.681 2.347 50 50 BEGA C[C@H](Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 3270816 DKFBWJTZPPJWFC-LURJTMIESA-N 228.635 2.161 50 50 BEGA in-vitro CCOC(=O)CC[C@@H](C)Br 2032289 CTVCPHLFHPQRNF-ZCFIWIBFSA-N 209.083 2.113 50 50 BEGA in-vitro CCn1cc(/C=C(/C#N)C(N)=O)c2ccccc21 12341318 YDHIJRAGFACLHY-YFHOEESVSA-N 239.278 2.053 50 50 BEGA Cn1ncc2c(CBr)cccc21 30677765 VMSIVUQHLANBHP-UHFFFAOYSA-N 225.089 2.468 50 50 BEGA in-vitro COc1ccccc1Pc1ccccc1OC 100055223 HFEAMIKDDWKNAG-UHFFFAOYSA-N 246.246 2.333 50 50 BEGA COC(=O)N/N=C1\C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 1875390444 BMSIWLDUUPQQQX-PHVALUIOSA-N 222.288 2.155 50 50 BEGA Cc1ccc(F)cc1NC(=O)CBr 82506067 IYRHAPADIFDCDI-UHFFFAOYSA-N 246.079 2.468 50 50 BEGA O=[N+]([O-])c1ccccc1OCCCl 4108764 KHBLKVSJKHHJJP-UHFFFAOYSA-N 201.609 2.212 50 50 BEGA CC[C@@H]1CCCCN1C(=O)[C@H](C)Cl 6224417 AZONHAYWAQFQQF-DTWKUNHWSA-N 203.713 2.405 50 50 BEGA C[C@@H]([C@H](Br)C(=O)O)C(F)(F)F 16159814 QTQIBOJDKKPPQG-HRFVKAFMSA-N 234.999 2.033 50 50 BEGA CCCC/C(=N\NC(N)=O)c1ccccc1 4798680 AFKOWEYCFSBENW-SDNWHVSQSA-N 219.288 2.249 50 50 BEGA C/C(=N\NC(=O)c1cccs1)c1ccco1 12362554 NEGZLVDLFUDVRT-XYOKQWHBSA-N 234.280 2.495 50 50 BEGA [N-]=[N+]=NC[C@@H]1CCCCN(C(=O)[C@@H](F)Cl)C1 2325878634 WPPPTPAKBQIPPH-JGVFFNPUSA-N 248.689 2.460 50 50 BEGA COC(=O)c1ccc(N=C=S)c(F)c1 31829472 OFQYGASRCYMAOF-UHFFFAOYSA-N 211.217 2.347 50 50 BEGA COC1(OC)CC(C)(CBr)C1 238360205 XWUQWBJUUIDCAO-UHFFFAOYSA-N 223.110 2.171 50 50 BEGA O=C(Cl)c1c(F)ccc([N+](=O)[O-])c1F 2381234 URMNSJGLMUMDDC-UHFFFAOYSA-N 221.546 2.252 50 50 BEGA in-vitro O=c1cc(CBr)c2ccccc2[nH]1 8649184 BBAHJCUCNVVEQU-UHFFFAOYSA-N 238.084 2.423 50 50 BEGA in-vitro BrCc1cccc2c1OCO2 82046495 NXSORIZRMNGQNL-UHFFFAOYSA-N 215.046 2.310 50 50 BEGA in-vitro O=C(NN=C1CCCC1)c1cccc([N+](=O)[O-])c1 112523 JBKQHKWGPJKYBX-UHFFFAOYSA-N 247.254 2.255 50 50 BEGA N#C/C(=C(\N)c1ccccc1)c1ccccn1 4086161 TXNREZNAWHNHEA-WYMLVPIESA-N 221.263 2.432 50 50 BEGA CCCCS(=O)(=O)C(CCl)CCl 4753659 PFEZNPJEFNSUNA-UHFFFAOYSA-N 233.160 2.048 50 50 BEGA O=c1cc(CCl)nc(-c2cccc(F)c2)[nH]1 45956688 KSPAXKFYTRSBLY-UHFFFAOYSA-N 238.649 2.315 50 50 BEGA CC(=O)Oc1ccc([N+](=O)[O-])cc1CCl 2509979 XLEUIPVVUKAVGL-UHFFFAOYSA-N 229.619 2.259 50 50 BEGA in-vitro NNC(=O)c1ccc(Oc2ccccc2)cc1 2530714 LRBASDKESQRLCX-UHFFFAOYSA-N 228.251 2.082 50 50 BEGA in-vitro CC[C@](C)(OO)OO[C@](C)(CC)OO 8585915 WFUGQJXVXHBTEM-HTQZYQBOSA-N 210.226 2.166 50 50 BEGA O=C(Cl)C(=O)c1ccccc1Cl 141221706 LQWRKAQBFXNVBG-UHFFFAOYSA-N 203.024 2.288 50 50 BEGA CCO[Si](OCC)(SC)SC 169818639 PISDCIGMBDKKJE-UHFFFAOYSA-N 212.412 2.221 50 50 BEGA Cc1cc(Cl)c2oc(C(=O)NN)c(C)c2c1 15016928 XQRLTJGRAASYJZ-UHFFFAOYSA-N 238.674 2.307 50 50 BEGA CC(C)(C)c1ccc2c(c1)C(=O)OC2=O 100014525 YLJYVKLZVHWUCT-UHFFFAOYSA-N 204.225 2.295 50 50 BEGA in-vitro O=C(Cl)c1ccc(F)c(Br)n1 263624904 VBOVONNXAQWBLV-UHFFFAOYSA-N 238.443 2.362 50 50 BEGA COc1ccc(OC)c(C(=O)CCl)c1 1708786 UUESDDFAPHJARU-UHFFFAOYSA-N 214.648 2.125 50 50 BEGA in-vitro COc1cc([N+](=O)[O-])ccc1SC#N 61050 JAPGQCBNQLEOQT-UHFFFAOYSA-N 210.214 2.177 50 50 BEGA O=C(NCCCl)N[C@H]1CCCC[C@@H]1Cl 2022270 ZRESKLJYSGQVEZ-YUMQZZPRSA-N 239.146 2.074 50 50 BEGA COc1cccc(CN=C=S)c1OC 2528108 HLXLDIINPAOCAT-UHFFFAOYSA-N 209.270 2.307 50 50 BEGA in-vitro N#Cc1cc(Cl)ccc1NC(=O)CCl 3086283 WZHQPMPVIWNTDF-UHFFFAOYSA-N 229.066 2.389 50 50 BEGA O=C(O)CCCCCCBr 2575482 JLPQXFFMVVPIRW-UHFFFAOYSA-N 209.083 2.416 50 50 BEGA in-vitro CC(=O)Nc1ccc(C(=O)[C@H](C)Cl)cc1 1563989 FWBXOIYYUSIMST-ZETCQYMHSA-N 225.675 2.455 50 50 BEGA in-vitro O=C(CCl)NC1CCCCCCC1 5282841 CIBJQCMYTNHWPM-UHFFFAOYSA-N 203.713 2.454 50 50 BEGA in-vitro CCOC(=O)/C(C#N)=C\c1[nH]c(C)c(C)c1C 17191128 PRJZXMSNUFKGEZ-WDZFZDKYSA-N 232.283 2.410 50 50 BEGA CCc1cc(N)nc(SC/C=C(\C)C#N)n1 1166101477 LWYYXGVQXPMTSU-XBXARRHUSA-N 234.328 2.183 50 50 BEGA CC[C@@H](Nc1cccc2ccccc12)C(=O)NN 34925118 HDEMHSNWVYEFSC-GFCCVEGCSA-N 243.310 2.020 50 50 BEGA [C-]#[N+][C@@H](CC)S(=O)(=O)c1ccc(C)cc1 100264266 HLITUPWOVBUZQH-LLVKDONJSA-N 223.297 2.424 50 50 BEGA in-vitro O=C(Cc1ccccc1)NN=C1CCCC1 219193 XNMDXIZIYXTPNS-UHFFFAOYSA-N 216.284 2.275 50 50 BEGA O=C(Cl)Oc1ccc([N+](=O)[O-])cc1 2567958 NXLNNXIXOYSCMB-UHFFFAOYSA-N 201.565 2.332 50 50 BEGA CCO[Si](C)(OCC)c1ccccc1 169746436 MNFGEHQPOWJJBH-UHFFFAOYSA-N 210.349 2.039 50 50 BEGA in-vitro Cc1sccc1/C=N/NC(=O)c1cccnc1 438372 HSZYYWITPOEAJS-RIYZIHGNSA-N 245.307 2.215 50 50 BEGA C[C@@H](Br)CBr 2041260 XFNJYAKDBJUJAJ-GSVOUGTGSA-N 201.889 2.165 50 50 BEGA COc1ccccc1OCCBr 2147176 PBRPKYRJVDJZTF-UHFFFAOYSA-N 231.089 2.469 50 50 BEGA in-vitro O=C(O)CCCSSCCCC(=O)O 2504408 YYSCJLLOWOUSHH-UHFFFAOYSA-N 238.330 2.097 50 50 BEGA in-vitro C[C@@H](O)P(=O)(c1ccccc1)c1ccccc1 394887 URAARPKZZSGYIT-LBPRGKRZSA-N 246.246 2.339 50 50 BEGA COc1ccc(OCCBr)cc1 2147177 PRRJGZRMBVOTGG-UHFFFAOYSA-N 231.089 2.469 50 50 BEGA in-vitro COC(=O)c1ccsc1NC(=O)CCCl 5526480 OZBOUJQGMCTWBE-UHFFFAOYSA-N 247.703 2.102 50 50 BEGA O=C(NN=C1CCCCC1)c1ccc(O)cc1 258286 NTRSHBVKMPSXNO-UHFFFAOYSA-N 232.283 2.442 50 50 BEGA CC(C)(C)OC(=O)NNC(=N)c1ccccc1 1649373 UUWHNGLXDSXTLN-UHFFFAOYSA-N 235.287 2.041 50 50 BEGA N#C/C(=C\c1cccc(O)c1Cl)C(=O)O 4541968 CAYMMDBOXZBUBV-QPJJXVBHSA-N 223.615 2.037 50 50 BEGA CCOP(=O)(CC(=O)CCl)OCC 2525537 MZMAAXZDJLJCDS-UHFFFAOYSA-N 228.612 2.060 50 50 BEGA in-vitro N#C/C(=C/c1ccco1)C(=O)NCc1ccco1 5896702 QKYFQSIHBRLLFU-YFHOEESVSA-N 242.234 2.096 50 50 BEGA Cn1nc(CBr)c2ccccc21 34453662 RCHJAMWXOFEHBQ-UHFFFAOYSA-N 225.089 2.468 50 50 BEGA in-vitro O=C(Cl)C1(Br)CCCC1 39282795 DBUSSDLMLYFONI-UHFFFAOYSA-N 211.486 2.460 50 50 BEGA in-vitro O=C(Cl)c1cc(F)c(F)c([N+](=O)[O-])c1 263623715 JYXWKDHIZIRDMS-UHFFFAOYSA-N 221.546 2.252 50 50 BEGA CC(=O)c1ccc(NC(=O)CCl)cc1 154548 FLMLTMFETZMOHW-UHFFFAOYSA-N 211.648 2.067 50 50 BEGA in-vitro C[C@@H](Oc1ccc(F)cc1F)C(=O)Cl 40451337 DMWZHJCKBWUVSF-RXMQYKEDSA-N 220.602 2.498 50 50 BEGA O=C(CBr)c1ccc([N+](=O)[O-])cc1 47515 MBUPVGIGAMCMBT-UHFFFAOYSA-N 244.044 2.172 50 50 BEGA in-vitro CCCCNC(=O)/C(C#N)=C/c1ccc(O)cc1 1782002 IBZTXJZPWKNGIO-FMIVXFBMSA-N 244.294 2.215 50 50 BEGA CC(=O)Nc1ccc(OCCCl)cc1 33506317 HLLURZQGVBWFRD-UHFFFAOYSA-N 213.664 2.263 50 50 BEGA in-vitro C[C@@H](Cl)C(=O)NCC1=CCCCC1 307247207 ZPFWJMMZODXPGY-MRVPVSSYSA-N 201.697 2.230 50 50 BEGA CCOC(=O)[C@@H](Cc1ccccc1)SC#N 2913771 AXENCQUEXAKAMK-LLVKDONJSA-N 235.308 2.375 50 50 BEGA O=C(CCl)O[C@H]1C=C[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C1 216513535 CIVSQZHBFCCJGV-NDCWEZFPSA-N 224.687 2.145 50 50 BEGA NC12CCCC(C(=O)OCCl)(CC1)CC2 1501056578 UICUSOAJEDGZSE-UHFFFAOYSA-N 231.723 2.168 50 50 BEGA CCN(C(=O)CCl)[C@H](C)C(F)(F)F 1875391563 CAVJRCSCWNUNGA-RXMQYKEDSA-N 217.618 2.025 50 50 BEGA COc1ccc(NC(=O)NCCCl)cc1 1708399 CNYYWOOAIIXDLZ-UHFFFAOYSA-N 228.679 2.056 50 50 BEGA in-vitro CC(=O)O[C@@H](C(=O)Cl)c1ccccc1 2048680 BERNQQVIUAZUHY-SECBINFHSA-N 212.632 2.056 50 50 BEGA biogenic,in-vitro C[C@@H](Cl)C(=O)Nc1ccccc1F 2582380 SCIHVRDPCNXWQL-ZCFIWIBFSA-N 201.628 2.392 50 50 BEGA CCOC(=O)/C(C#N)=C/c1ccc(F)cc1 101342 OSTPLWBGNXWIBG-JXMROGBWSA-N 219.215 2.296 50 50 BEGA Cc1ccsc1/C=N/NC(=O)c1ccccn1 227859 QHLPJEJGIRWHKO-RIYZIHGNSA-N 245.307 2.215 50 50 BEGA CC1(C)OCC(CCl)(CCl)CO1 101093268 UIUJUVYFIXNOLH-UHFFFAOYSA-N 213.104 2.233 50 50 BEGA COc1cc(C(=O)CBr)ccc1F 33975991 LWUJSPVNTPCPSF-UHFFFAOYSA-N 247.063 2.412 50 50 BEGA CCCCCCCCc1ccc(B(O)O)cc1 169807369 HUKDAABRKOWPNA-UHFFFAOYSA-N 234.148 2.269 50 50 BEGA CC(C)OC(=O)N(N)c1ccc(F)cc1 757128082 PMPLQXHZEXFANO-UHFFFAOYSA-N 212.224 2.051 50 50 BEGA N#Cc1ccc(C(=O)CBr)cc1 166064 LJANCPRIUMHGJE-UHFFFAOYSA-N 224.057 2.136 50 50 BEGA in-vitro CCC[C@H](C)C(=O)NNC(=O)[C@@H](C)CCC 2173717 AEKJSSRPLJMRKD-UWVGGRQHSA-N 228.336 2.006 50 50 BEGA [C-]#[N+]Cc1cc(OC)c(OC)c(OC)c1 95696975 POGKDRXRTUOFAJ-UHFFFAOYSA-N 207.229 2.132 50 50 BEGA C[C@@H](Cl)C(=O)N(C)Cc1cc(C#N)cs1 1875367068 WTLJQOPZRMPPCD-SSDOTTSWSA-N 242.731 2.205 50 50 BEGA CO/N=C/C(C#N)=C/c1ccc(F)cc1 3046957 UWRZDKNGWLCMTN-FGEXGLGOSA-N 204.204 2.365 50 50 BEGA CCOC(=O)N/N=C(\C)c1ccccc1 4529782 RVYSVKPRZBKDQS-FMIVXFBMSA-N 206.245 2.157 50 50 BEGA COC(=O)Cc1ccc2oc(CCl)nc2c1 8729868 NGJVPZGICVCQPO-UHFFFAOYSA-N 239.658 2.282 50 50 BEGA C[C@@H]([C@@H](Br)C(=O)O)C(F)(F)F 16159811 QTQIBOJDKKPPQG-STHAYSLISA-N 234.999 2.033 50 50 BEGA C[C@H](Cl)C(=O)NCc1nc(C2CC2)cs1 1875364560 NYPKHACQUQBLAV-LURJTMIESA-N 244.747 2.264 50 50 BEGA Cc1cc(C(=O)NNc2c(C)cccc2F)no1 184315731 RGGIHTAGJGPWSB-UHFFFAOYSA-N 249.245 2.187 50 50 BEGA CC(C)(C)[Si](C)(C)O[C@@]1(C=O)CCOC1 723162032 KFBBGHNPRWMKRN-LLVKDONJSA-N 230.380 2.366 50 50 BEGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2(C)C 297240 MUSCMZRMMDYPTL-UHFFFAOYSA-N 246.310 2.380 50 50 BEGA CCCCCC(=O)N/N=C/c1cccnc1 2747448 JHKOORSAARYROG-GXDHUFHOSA-N 219.288 2.112 50 50 BEGA O=S1(=O)C[C@]23CC=CC[C@@]2(CC3)[C@H]1Cl 104277118 PGYMHWHBBBQCOG-IVZWLZJFSA-N 232.732 2.096 50 50 BEGA CC(C)C[C@@H]1C[C@@H](NC(=O)[C@@H](C)Cl)CCO1 1875378071 VGOJCMFYHNEYQD-OUAUKWLOSA-N 247.766 2.324 50 50 BEGA