smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)c(O)c1 125065 UAVXWCQMXIYUAE-LZYBPNLTSA-N 290.706 4.013 30 40 CIEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(OC)cc1)C2 473198 BDPFUXZERTWMOF-UGSOOPFHSA-N 285.387 4.016 30 40 CIEB CCCCCCC(=O)/C=C/c1ccc(N(C)C)cc1 1725842 JKRDQQGSRBCOAZ-SDNWHVSQSA-N 259.393 4.305 30 40 CIEB CSc1ccc(/C=C/C(=O)c2ccccc2)cc1 4017903 COMMOHWAHKXFGL-FMIVXFBMSA-N 254.354 4.305 30 40 CIEB CCc1ccc(C(=O)/C=C/c2cc(OC)ccc2OC)cc1 32160315 OUOJOOQXLONUBY-PKNBQFBNSA-N 296.366 4.162 30 40 CIEB Cc1ccc(/C=C/C(=O)c2cccc(Br)c2)o1 71977122 NLWXYRIVXXFOEQ-BQYQJAHWSA-N 291.144 4.247 30 40 CIEB CCCCCC[C@](C)(O)C#Cc1ccc(C)c(F)c1 95633716 KAJALYASOVZYQX-KRWDZBQOSA-N 262.368 4.207 30 40 CIEB Cc1cc(/C=N/c2ccco2)c(C)n1-c1ccccc1 408780015 PZXXMHGYSIMNCT-LDADJPATSA-N 264.328 4.438 30 40 CIEB Cc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1C 5144841 MFZZBPLTFJQLAY-UHFFFAOYSA-N 284.384 4.106 30 40 CIEB CCCNc1nccc(-c2ccc(Cl)cc2)c1C#N 20405713 ARBRVYPJJJXEIC-UHFFFAOYSA-N 271.751 4.096 30 40 CIEB CCn1c(C)cc(/C=N/c2ccc(C)c(C)c2)c1C 409089549 OABACDNYSISCLS-WOJGMQOQSA-N 254.377 4.492 30 40 CIEB CC1(C)CC(=O)C=C(Nc2cccc(C(F)(F)F)c2)C1 51604 MDYIVHKCHZGEHV-UHFFFAOYSA-N 283.293 4.390 30 40 CIEB C/C(=N\c1cccc(C)c1)c1cc2ccccc2oc1=O 4268110 ODVAXHQVRYXKRE-CPNJWEJPSA-N 277.323 4.242 30 40 CIEB COc1cc(C#N)ccc1O[C@@H](C)c1ccccc1Cl 5429905 WPIPQOLKMNTUMB-NSHDSACASA-N 287.746 4.360 30 40 CIEB Cc1ccc(C)c(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 6611805 KBUSTAPBHNSWOT-CMDGGOBGSA-N 281.311 4.108 30 40 CIEB C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1cc(C)ccn1 32100558 GHLNQORHKSYZNA-ZRDIBKRKSA-N 286.762 4.242 30 40 CIEB Cc1cccc(NC(=O)Nc2ccc(CC#N)cc2)c1C 75138299 VLNJJQHTMNIRCW-UHFFFAOYSA-N 279.343 4.014 30 40 CIEB Cc1ccc(/N=C/c2ccc(Br)o2)cc1C 409203488 WOCZWPJQVHORNR-OVCLIPMQSA-N 278.149 4.410 30 40 CIEB FC(F)(F)Oc1ccccc1/C=N\Cc1ccccc1 165631 RWQGIRNUWZNNCN-ODLFYWEKSA-N 279.261 4.204 30 40 CIEB N#Cc1cccc(CC(=O)c2ccc(C(F)(F)F)cc2)c1 2393064 OSLQVNOWVWVLRA-UHFFFAOYSA-N 289.256 4.002 30 40 CIEB Cc1ccc(O)c(/C=N/c2sc(C)c(C)c2C#N)c1 4150670 ZDFHQPKEFCKXPF-CAOOACKPSA-N 270.357 4.001 30 40 CIEB C=CCOc1ccccc1CNc1ccc(OCC)cc1 6353101 VFEOHJBRQJPNOK-UHFFFAOYSA-N 283.371 4.262 30 40 CIEB CN1/C(=C/C=N/c2ccccc2N)C(C)(C)c2ccccc21 103481142 SUTHOUFAZYMTKK-XLECEWEHSA-N 291.398 4.283 30 40 CIEB C#CCOc1cccc(/C=N\c2cccc(Cl)c2C)c1 409215140 XGHYDYIDGMTPRE-UNOMPAQXSA-N 283.758 4.411 30 40 CIEB CCCCCCCCCC1=NC(C)(C)CN1C(C)(C)CO 1768311 MZURFONFBGGQPQ-UHFFFAOYSA-N 296.499 4.391 30 40 CIEB C=C(Br)CCc1ccc(Br)cc1 2567455 QWELTQIWSBUKDO-UHFFFAOYSA-N 289.998 4.290 30 40 CIEB C=CCOc1ccc2c(C)c(CCCCC)c(=O)oc2c1 3671014 KCZWHYOEQKHGMR-UHFFFAOYSA-N 286.371 4.399 30 40 CIEB biogenic Cc1ccc(C)c(-c2csc(N/N=C/c3ccco3)n2)c1 4957156 ZKXIQMURDXKOIL-RQZCQDPDSA-N 297.383 4.466 30 40 CIEB C=C[C@](C)(O)C[C@@H]1[C@@](C)(O)CC[C@@H]2C(C)(C)CCC[C@]12C 12296958 HTYVNKCNBDAITQ-UYKLPWQDSA-N 294.479 4.307 30 40 CIEB biogenic CCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1 35586002 BTYKZKSYZADDAY-CPNJWEJPSA-N 297.354 4.314 30 40 CIEB CC(C)(C)NC(=O)/N=C(/c1ccccc1)C(C)(C)C 104203929 WGGQIOSHDCBVHP-LGMDPLHJSA-N 260.381 4.030 30 40 CIEB C[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 169806102 YHSOLWOJHMOEFX-UHFFFAOYSA-N 292.217 4.332 30 40 CIEB in-vitro Cc1ccc(C#N)c(Oc2cccc3ccccc23)n1 42990 XXGKJFXWXCYQIY-UHFFFAOYSA-N 260.296 4.207 30 40 CIEB Cc1sc(/N=C/c2cn(C)c3ccccc23)c(C#N)c1C 239137 LRVSRLFDISSJKT-DJKKODMXSA-N 293.395 4.479 30 40 CIEB CCCCCCCOC(=O)c1ccccc1Cl 1608563 AZDUVJGZVLGFLA-UHFFFAOYSA-N 254.757 4.467 30 40 CIEB biogenic N#Cc1ccccc1CC(O)(c1ccccc1)c1ccccc1 1680198 WMPIJLDYWFBOHC-UHFFFAOYSA-N 299.373 4.037 30 40 CIEB N#Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 3264882 DWLKAYMMWGEMIG-UHFFFAOYSA-N 291.137 4.117 30 40 CIEB C/C(=N\Nc1ccc(F)cc1F)c1cccc(Cl)c1 4924459 YHFWDOHMFGLYBZ-GIJQJNRQSA-N 280.705 4.454 30 40 CIEB CN(Cc1ccccc1C#N)[C@@H]1CCCc2ccccc21 16342870 YMHNBXVLLFRRFO-LJQANCHMSA-N 276.383 4.068 30 40 CIEB Fc1cccc(/C=N/C23CC4CC(CC(C4)C2)C3)c1 18212097 SBYXKPMABCQSKG-YBFXNURJSA-N 257.352 4.213 30 40 CIEB N#Cc1cccnc1Oc1ccc(Cl)c(Cl)c1 22797607 XYVUJRFTULRGGP-UHFFFAOYSA-N 265.099 4.052 30 40 CIEB Cc1ccc(C)c(N/N=C2\C(O)=Nc3ccc(Cl)cc32)c1 58674632 NIZMUDDADAORCW-UHFFFAOYSA-N 299.761 4.375 30 40 CIEB CSc1ccccc1/N=C/c1ccc(N2CCCC2)o1 59138665 PCUNJWUUQKZYJQ-SFQUDFHCSA-N 286.400 4.352 30 40 CIEB C=C(Br)CCc1cccc(OC(F)(F)F)c1 1848444246 GVHNQDFHPIHOLM-UHFFFAOYSA-N 295.098 4.426 30 40 CIEB N#Cc1cccc(/N=C/c2ccc3ccccc3c2)c1 296931 SSLUIIXSFAFQJU-DEDYPNTBSA-N 256.308 4.462 30 40 CIEB COc1ccc(O)c(/C=N/c2ccc3ccccc3c2)c1 4539642 NEBGYCIMQUVGHS-XDHOZWIPSA-N 277.323 4.305 30 40 CIEB CC(C)(C)C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 34975674 VYZXLQHZYHZADF-JTQLQIEISA-N 270.159 4.216 30 40 CIEB N#Cc1c(Cl)nc2c(c1-c1cccc(F)c1)CCCC2 96511094 ZRDBOKPXTUDJDR-UHFFFAOYSA-N 286.737 4.292 30 40 CIEB CCN(C)c1ccc(/N=N/c2ccc(C#N)cc2)cc1 4774728 NGXVIHATZFZKSZ-VHEBQXMUSA-N 264.332 4.430 30 40 CIEB Cc1cc(-n2c(C)cc(C#N)c2C)ccc1Br 32142528 BPXXCBIEXWMLQY-UHFFFAOYSA-N 289.176 4.037 30 40 CIEB COc1ccc(OC)c(/C=C/C(=O)c2ccc(C)c(C)c2)c1 32160317 VEKITHCZRPGOMN-VQHVLOKHSA-N 296.366 4.217 30 40 CIEB Cc1ccc(/C=N/Nc2nc3ccccc3nc2Cl)cc1 32647119 IHCGDBLBZKIUQC-VCHYOVAHSA-N 296.761 4.038 30 40 CIEB CCCCCCCCOc1ccc(OCCCO)cc1 59608584 JPQXGJXCMIELPS-UHFFFAOYSA-N 280.408 4.187 30 40 CIEB C#CCOc1c(Cl)cc(/C=N/c2ccccc2)cc1OC 8110638 JWJPLLDDBKLKEQ-XDHOZWIPSA-N 299.757 4.111 30 40 CIEB N#Cc1ccc(F)c(CSc2nc3ccccc3o2)c1 10141092 UBOSVTCSURUBSS-UHFFFAOYSA-N 284.315 4.131 30 40 CIEB CN1/C(=N/c2ccccc2)S/C1=N/c1ccccc1 17194635 NELCYIJPKJMGMV-QUDUTFMFSA-N 267.357 4.040 30 40 CIEB CCc1ccc(/N=C/c2ccc(N3CCCC3)o2)cc1 59138566 GETNZFZAQLZGKJ-QGOAFFKASA-N 268.360 4.193 30 40 CIEB Cc1c(Cl)cccc1NC(=O)O/N=C(\Cl)C(C)C 100080053 CXGCMKJRHJKJDK-WJDWOHSUSA-N 289.162 4.405 30 40 CIEB CCCCn1c(C#N)cc(N)c1Oc1cc(C)ccc1C 225884938 YVJCRTOXFPZDDV-UHFFFAOYSA-N 283.375 4.151 30 40 CIEB Cc1ccc(Sc2c(N)cc(C#N)n2CC(C)C)cc1 225888231 ONHDREYLHOHUMW-UHFFFAOYSA-N 285.416 4.058 30 40 CIEB CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]12C 263593611 BLGNCYFCLKRFPN-WCIQWLHISA-N 296.410 4.174 30 40 CIEB C#CCOc1cccc(CNc2cc(Cl)ccc2C)c1 409115454 MJDZIHGPUOQNMV-UHFFFAOYSA-N 285.774 4.273 30 40 CIEB CCCCCCCCCCCCSc1nc(N)n[nH]1 3157935 NYCWBNMJNLGMAF-UHFFFAOYSA-N 284.473 4.400 30 40 CIEB Cc1ccc(Cl)cc1/N=C\c1cccc([N+](=O)[O-])c1 16980203 XJXRUEZTLVGYOO-SXGWCWSVSA-N 274.707 4.307 30 40 CIEB O/N=C1\[C@H]2CC[C@@H](C2)[C@@H]1Sc1nc2ccccc2s1 100950858 BXBULTSAQZXYGK-ZZEDYWALSA-N 290.413 4.017 30 40 CIEB COc1ccc(Cl)cc1N/C=C1/CCC[C@H](C)C1=O 409179275 LIRGQDOOIYTCRH-RGAIUGGKSA-N 279.767 4.034 30 40 CIEB N#Cc1ccccc1/N=C/c1ccc(Br)s1 46289 JKFBVDHAXVLVRZ-OVCLIPMQSA-N 291.173 4.133 30 40 CIEB CC(C)/N=C(/Nc1cccnc1)c1ccc(Cl)cc1 1397293 AKIZQYBPUSTDHN-UHFFFAOYSA-N 273.767 4.002 30 40 CIEB N#Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 3445880 VDNULLFECKEUMU-UHFFFAOYSA-N 298.345 4.478 30 40 CIEB C/C(=N\OCc1ccc(Cl)cc1Cl)c1cnoc1C 5721645 APWDMSNUWWVPQW-CAOOACKPSA-N 299.157 4.231 30 40 CIEB COc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 18142262 KIZFMCMRXXHNJT-XDHOZWIPSA-N 277.323 4.305 30 40 CIEB C[C@@](C#N)(Cc1ccccc1)c1ccc(Cl)cc1 36108797 NZUCINLJYFEEOO-INIZCTEOSA-N 255.748 4.364 30 40 CIEB CCCC[C@H](CC)[C@@H](O)C#Cc1cc(C)cc(C)c1 95633043 OTPYSEKPSQCBAF-ROUUACIJSA-N 258.405 4.232 30 40 CIEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1C(C)C 408597070 VLXKDAFPVYLVMN-RGVLZGJSSA-N 295.386 4.108 30 40 CIEB COc1ccc(/C=N/c2c(C)cc(C)cc2C)cc1 297502 HQKQQNOSCFLODX-WOJGMQOQSA-N 253.345 4.371 30 40 CIEB CC(=O)Nc1ccc(/N=C/C(C)=C/c2ccccc2)cc1 5725150 SBMQJLUVTJPDHC-QQWZAAIYSA-N 278.355 4.451 30 40 CIEB C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC(C)=O 39025250 WJXLWXJYJCBHME-ONIAQPFYSA-N 292.419 4.219 30 40 CIEB biogenic,in-vitro C=C(C)COc1cc(/C=N\CCCC)c(C)cc1C 104150214 ZQWHQUOCEFYHMF-WQRHYEAKSA-N 259.393 4.477 30 40 CIEB c1ccc(/N=C(/c2ccccc2)c2ccncc2)cc1 3191720 FZDMLNUFKHZHME-ZZEZOPTASA-N 258.324 4.251 30 40 CIEB Cc1ccc(/C=N/c2cc(Cl)c([N+](=O)[O-])cc2O)s1 4979545 OLLZYWGJPSDVPH-MKMNVTDBSA-N 296.735 4.074 30 40 CIEB CCOc1ccc(C(=O)/C=C/c2cccc(F)c2)cc1 57457480 ZLQOVHFVJGQBIT-IZZDOVSWSA-N 270.303 4.121 30 40 CIEB CCCCCCCCCC/C=C/[C@H](CC(=O)O)C(=O)O 59659416 QDCPNGVVOWVKJG-GCZGRYASSA-N 284.396 4.249 30 40 CIEB Cc1ccccc1C(=O)O/N=C1/C[C@@H]2CC[C@]1(C)C2(C)C 100505514 CHSJIRHCYRXYDD-NRBXHDJBSA-N 285.387 4.354 30 40 CIEB COc1cccc(N=Cc2c(O)ccc3ccccc23)c1 252463590 FWROWVXHYHSYTO-UHFFFAOYSA-N 277.323 4.305 30 40 CIEB Cc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCC2 95686 PYTKROMPBFZRNM-UHFFFAOYSA-N 296.395 4.059 30 40 CIEB CC1(C)C[C@@H]([C@@H](CC#N)c2ccc(F)cc2)CCO1 171689 DIWYBBYYGVJQJO-ZFWWWQNUSA-N 261.340 4.028 30 40 CIEB CC[C@@H](C)C[C@@](C)(O)C#Cc1ccc(C)c(Cl)c1 95631615 FQUBEVQXHSDUSX-WBMJQRKESA-N 264.796 4.187 30 40 CIEB CC[C@@H](C)n1c(C#N)cc(N)c1Oc1ccc(C)cc1 225880428 LFVGUXANEGPUCZ-GFCCVEGCSA-N 269.348 4.014 30 40 CIEB C[C@@H]1CCc2c(sc(/N=C/c3ccccc3)c2C#N)C1 295570 UBECEFYTRNVPQQ-ZGXHQARYSA-N 280.396 4.495 30 40 CIEB Cc1cc(C)cc(OCc2ccc(/C=C\C(=O)C3CC3)o2)c1 4510999 ZBAXEZXYMMUXOK-FPLPWBNLSA-N 296.366 4.468 30 40 CIEB C/C(=N\Nc1nc2ccccc2s1)c1ccc(C#N)cc1 4924291 VAFHEZSCSCQVKA-YBFXNURJSA-N 292.367 4.004 30 40 CIEB C=CCOc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1 6312992 QKZHMHSICJKETR-UHFFFAOYSA-N 297.442 4.310 30 40 CIEB CC(=O)c1c(C)cc(C)c(CNc2ccc(C#N)cc2)c1C 12562485 ORQSGWAESLNVIM-UHFFFAOYSA-N 292.382 4.298 30 40 CIEB CC(C)=NNc1nc2cc(C(F)(F)F)ccc2s1 57327561 GXNVPLLCHMTZHE-UHFFFAOYSA-N 273.283 4.123 30 40 CIEB CCCC[C@@H](CC)[C@@H](O)C#Cc1ccc(Cl)cc1 95631813 LYNYQCHAFSHXJS-ZBFHGGJFSA-N 264.796 4.269 30 40 CIEB N#CCCCCCOc1ccc(Cl)cc1Cl 95738566 KSMPFCQZLWEVIP-UHFFFAOYSA-N 258.148 4.456 30 40 CIEB COc1ccc2c(c1)C(=O)/C(=C/C=C/c1ccccc1)CC2 984268 SRHPZWYYOPXAHW-BDKUJZOCSA-N 290.362 4.464 30 40 CIEB aggregator CC/C(=N/N=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 4119201 LKXNALRUDYMXNR-CLFAGFIQSA-N 296.370 4.111 30 40 CIEB N#Cc1c(Cl)nc(-c2ccccc2)c2c1CCCC2 4656457 OVFSKQWHMLYFLP-UHFFFAOYSA-N 268.747 4.152 30 40 CIEB C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)c2ccc(C)cc2)C1 17146227 ZOEVVXCTJDPPRV-MRXNPFEDSA-N 282.387 4.013 30 40 CIEB N#Cc1c(Cl)nc2c(c1-c1cccc(Cl)c1)CCC2 41465315 XPLRYKCJDYGJDA-UHFFFAOYSA-N 289.165 4.416 30 40 CIEB Cc1cc2c(cc1C=NO)[C@@H](C)CC(C)(C)N2C(C)C 260569501 QMNCTGQRPDDTPB-ZDUSSCGKSA-N 274.408 4.304 30 40 CIEB O=C1/C(=C\c2cccc(F)c2)Sc2ccccc21 408720498 RQBKOGHPIXAOLX-NTEUORMPSA-N 256.301 4.155 30 40 CIEB Cc1ccc(O)c(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 59966 BXGZDXMPZCIVDL-LZYBPNLTSA-N 290.706 4.013 30 40 CIEB O=C(C[n+]1cc2ccccc2c2ccccc21)c1ccccc1 1564601 UWIOKYAIGKSWAX-UHFFFAOYSA-N 298.365 4.163 30 40 CIEB N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 2663026 SDMCCNFRCXKMAY-UHFFFAOYSA-N 291.137 4.117 30 40 CIEB C[C@H]1CCC/C(=C\Nc2cccc(C(F)(F)F)c2)C1=O 4675542 NPTWWLPYZPDBOX-SPQRFVMMSA-N 283.293 4.390 30 40 CIEB Cc1cccc(CS/C(=N\C#N)Nc2ccccc2)c1 6234397 UBCFIFCHPOCAND-UHFFFAOYSA-N 281.384 4.177 30 40 CIEB CCCCCCCCCCCC[C@@H](O)CC(=O)OC 100501515 CYLYTGDXNHUARG-OAHLLOKOSA-N 272.429 4.221 30 40 CIEB Cc1c(/C=N/OCc2ccccc2)c2ccccc2n1C 408857138 MYILBDXQXZUKLK-XDHOZWIPSA-N 278.355 4.037 30 40 CIEB C#Cc1cccc(NC(=O)c2cc(Cl)sc2Cl)c1 4323286 BXMHUDDRKGGYJQ-UHFFFAOYSA-N 296.178 4.289 30 40 CIEB C[n+]1ccccc1/C=C/c1cccc(C#Cc2ccccc2)c1 5002319 RZDVFPNSZDQNMO-FOCLMDBBSA-N 296.393 4.081 30 40 CIEB C=CCOc1ccc(CNc2ccc(F)cc2)cc1 6312994 JSSDKDMJQVSWGW-UHFFFAOYSA-N 257.308 4.003 30 40 CIEB [N-]=[N+]=NC1=C(N=[N+]=[N-])c2cccc3cccc(c23)C1=O 73280895 KEDLJWKZWTZCBJ-UHFFFAOYSA-N 262.232 4.325 30 40 CIEB C=CCOc1ccc(CNc2ccc(CC)cc2)cc1OC 195658708 ZXEIAJGEHKBQSQ-UHFFFAOYSA-N 297.398 4.435 30 40 CIEB C[C@@H]1CCc2c(sc(/N=C/c3ccco3)c2C#N)C1 411734 HLRPPJLXXRHLFO-IYPWXLATSA-N 270.357 4.088 30 40 CIEB C=C(C)[C@H]1Cc2c(C)nn(-c3cccc4cccnc34)c2C1 506726 DAKGDESRUMIVGG-HNNXBMFYSA-N 289.382 4.020 30 40 CIEB COc1cc(/N=C/c2cccc([N+](=O)[O-])c2)ccc1Cl 3184414 OENWGKLEZGLESZ-CXUHLZMHSA-N 290.706 4.007 30 40 CIEB O=C(/C=C/c1ccco1)c1c(O)ccc2ccccc12 4737617 BQOSRJRUVNYSGY-CSKARUKUSA-N 264.280 4.035 30 40 CIEB N#Cc1ccc(NC(c2ccccc2)c2ccccc2)c(N)c1 225498299 UHMQRVHXVYAMSB-UHFFFAOYSA-N 299.377 4.342 30 40 CIEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(C)c(C)c1 664443537 JITLPKWFBKAVBA-IYBDPMFKSA-N 270.376 4.018 30 40 CIEB C=CC[N+]1(CC#Cc2cccc3ccccc23)CCCCC1 3205190 NLBOQPOHFLWCOW-UHFFFAOYSA-N 290.430 4.378 30 40 CIEB C[C@H](OC(=O)c1cccc(C#N)c1)c1ccccc1Cl 5014346 UKKHFRGXDZJPQW-NSHDSACASA-N 285.730 4.130 30 40 CIEB CSc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 5100014 MZVLZNGRTNGCOR-XBXARRHUSA-N 298.363 4.033 30 40 CIEB Cc1ccc(/C=N\Nc2nc3ccccc3s2)c(C)c1 38367076 IDATVAZVBZLXPT-YVLHZVERSA-N 281.384 4.359 30 40 CIEB COc1ccc(/N=C\c2ccc(N3CCCC3)cc2C)cc1 408961940 VTWZXYJXGBJHIG-ZHZULCJRSA-N 294.398 4.354 30 40 CIEB CCn1c(C)cc(/C=N/c2ccc([N+](=O)[O-])cc2C)c1C 409067702 PLOHOLSCDBJWAT-LICLKQGHSA-N 285.347 4.092 30 40 CIEB O=C1/C(=C/c2c(O)ccc3ccccc23)Cc2ccccc21 409373031 SGWMWSOFXQIAAS-NTCAYCPXSA-N 286.330 4.368 30 40 CIEB O=C(N=C(c1ccccc1)c1ccccc1)c1ccccc1 4973025 HNQSNSCVJQYMAX-UHFFFAOYSA-N 285.346 4.364 30 40 CIEB Cc1cc(C(=O)COc2ccc(C#N)cc2)c(C)c(C)c1C 5868235 RZDUQCIQMGFAGI-UHFFFAOYSA-N 293.366 4.054 30 40 CIEB CCOc1ccc(C(=O)/C=C/Nc2cccc(F)c2C)cc1 51318927 KTGMKJPDAHBLNB-VAWYXSNFSA-N 299.345 4.341 30 40 CIEB Oc1ccc(/C=N/c2cccc3ccccc23)c(O)c1 100004560 RJBRMIUDYFYKSS-WOJGMQOQSA-N 263.296 4.002 30 40 CIEB CC1(C)[C@@H](/N=C/c2ccccc2O)[C@@]2(C)CC[C@@H]1C2 104076363 JSVJFQPVXUXWLF-SFIKZYSNSA-N 257.377 4.026 30 40 CIEB CCc1ccc(N/C=C/C(=O)c2ccc(C)cc2)cc1 409061753 HLIKJTZZCADWBW-OUKQBFOZSA-N 265.356 4.366 30 40 CIEB Fc1ccccc1/N=C\c1ccc(N2CCCC2)c(F)c1 409067204 PQZBIJUMMQUBGK-NDENLUEZSA-N 286.325 4.316 30 40 CIEB CCOc1ccc(/C=C2\CCc3ccccc3C2=O)cc1 103162 DYGMQSSRLXYBCP-DTQAZKPQSA-N 278.351 4.298 30 40 CIEB O=C(/C=C/c1ccc(F)cc1)c1ccc(OC(F)F)cc1 6221097 XXEQYQWBFHPJAL-XCVCLJGOSA-N 292.256 4.323 30 40 CIEB O=C1C=C(Nc2ccc3c(c2)OCO3)CC2(CCCCC2)C1 6590251 CZKZRHJCZSPHQX-UHFFFAOYSA-N 299.370 4.025 30 40 CIEB Cc1cc2oc(=O)cc(C)c2cc1Oc1ccc(C#N)cc1 6796968 IIIASEGNCWPETA-UHFFFAOYSA-N 291.306 4.074 30 40 CIEB Cc1ccc(/C=N/NCc2c(Cl)cccc2Cl)o1 9195464 WGGBLEODTNDDND-FRKPEAEDSA-N 283.158 4.019 30 40 CIEB Cc1ccc([C@@H]2C[C@@H]2/C(=N/O)c2ccc(F)cc2)cc1 13132586 NMEWOZJNPFNNIR-IMODLIGDSA-N 269.319 4.116 30 40 CIEB Cc1ccc(/C=C2/CCC[C@@H](CN3CCCCC3)C2=O)cc1 31861423 NLQRFVDNRTUTBS-BSKAQADGSA-N 297.442 4.234 30 40 CIEB O=C1C(=C2SCCS2)CCC/C1=C/c1ccco1 68590826 WMKNDRGDMGSMSL-KTKRTIGZSA-N 278.398 4.108 30 40 CIEB Cc1ccc(C(=O)/N=C2/C[C@@H]3CC[C@]2(C)C3(C)C)cc1 100911728 QHRWIYCBIBBJQB-VECOEXMFSA-N 269.388 4.422 30 40 CIEB CCCCCCCCCCCCNC(=O)CC(C)=O 100932634 KWTZIFVJLPEIGM-UHFFFAOYSA-N 269.429 4.003 30 40 CIEB C=CCCCCOc1cccc(Br)c1 308462467 SNNWNTCSSCHZQG-UHFFFAOYSA-N 255.155 4.184 30 40 CIEB Cc1ccc(F)cc1/N=C/c1ccc2ncccc2c1 9373245 AEWGQCJCPKPDQG-RGVLZGJSSA-N 264.303 4.433 30 40 CIEB COc1ccccc1C(=O)/C=C/c1cccc(Cl)c1 32120144 WWQNBMZAIAAYBE-MDZDMXLPSA-N 272.731 4.245 30 40 CIEB CCCCCCCCCCCCCC[C@H](N)CN 43938953 PWJWNZBLKWYLPP-INIZCTEOSA-N 256.478 4.364 30 40 CIEB C=CC[C@H](NC(=O)OCc1ccccc1)c1ccccc1 68591062 ZBSDEVWSSMKYKL-KRWDZBQOSA-N 281.355 4.230 30 40 CIEB in-vitro N#Cc1ccc(Oc2ccccc2)c(Br)c1 90413265 WIBDSXQWDQDYHV-UHFFFAOYSA-N 274.117 4.113 30 40 CIEB CCCC[C@@H](CC)[C@H](O)C#Cc1cc(F)c(F)c(F)c1 95632734 XSRMFDDISMCBNM-IUODEOHRSA-N 284.321 4.033 30 40 CIEB N#CCCSc1ccccc1NC(=O)c1cccs1 95953503 RINWWXWRKXZIAN-UHFFFAOYSA-N 288.397 4.006 30 40 CIEB O=C(/C=C\Nc1cccc(Cl)c1)c1ccccc1 100960942 CRJBCDFBYWCYEN-KTKRTIGZSA-N 257.720 4.149 30 40 CIEB C=CCOc1cccc(CNc2ccccc2C)c1 409114107 IQHJEBLZXAPXIX-UHFFFAOYSA-N 253.345 4.172 30 40 CIEB CC1(C)[C@@H](C(=O)/C=C/c2ccc(Cl)cc2)C[C@@H]1CC#N 4812518 GZCCKKFHHIHENT-FFAUQURTSA-N 287.790 4.498 30 40 CIEB COc1cc(C)c(/C=N\c2ccccc2Cl)cc1OC 408549659 WIWTYHJCECGZNM-ZDLGFXPLSA-N 289.762 4.416 30 40 CIEB CC/C(=C/C(=O)c1ccncc1)Nc1cccc(C)c1C 408751555 XVMHIMYIRMCYSJ-VBKFSLOCSA-N 280.371 4.287 30 40 CIEB N#Cc1ccc(/N=C/c2ccc(N3CCCC3)c(F)c2)cc1 409067416 QQUHYKVKVKBKSO-FYJGNVAPSA-N 293.345 4.048 30 40 CIEB COc1cc(/C=N/c2cc(C)ccc2C)cc(OC)c1OC 66114 ZVMQMNSLTFMWMW-YBFXNURJSA-N 299.370 4.080 30 40 CIEB CC1(C)[C@H]2CC[C@]1(C)/C(=N/OC(=O)c1ccc(F)cc1)C2 203974 PQAMVPPCXDLVCM-WQUXGXPASA-N 289.350 4.185 30 40 CIEB CCCCCCCCCCCNC(=O)C(F)(F)F 3160004 MEANEKYIJMZNMT-UHFFFAOYSA-N 267.335 4.196 30 40 CIEB N#Cc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1 9885227 AESFGWSJVBRTMT-UHFFFAOYSA-N 291.137 4.117 30 40 CIEB CCCCCCCCCCC[C@@H](O)CC(=O)OCC 59171306 GGXXPLYVCUGEOP-OAHLLOKOSA-N 272.429 4.221 30 40 CIEB C=C(c1ccccc1)[C@H]1CCCN1C(=O)OC(C)(C)C 72207987 HJFKZTFYUYWTGA-OAHLLOKOSA-N 273.376 4.099 30 40 CIEB CC[C@@H](C)C[C@](C)(O)C#Cc1cccc(Cl)c1C 95631562 YBROSYPIHNQFQL-MLGOLLRUSA-N 264.796 4.187 30 40 CIEB C=C(Cl)CCc1cc(F)cc(Br)c1 710677241 AVFIVEAHISLNQI-UHFFFAOYSA-N 263.537 4.273 30 40 CIEB O/N=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 11798248 FBHJAWZRDDLGLS-IUXPMGMMSA-N 296.153 4.381 30 40 CIEB Clc1cccc(/N=C/c2ccc3c(c2)OCO3)c1Cl 18126703 PEXUHRNNDLJPOF-REZTVBANSA-N 294.137 4.473 30 40 CIEB CCC/C(=N/Nc1nc2ccccc2[nH]1)c1ccccc1 51012716 LIWDYDNZSWNISC-ZHZULCJRSA-N 278.359 4.179 30 40 CIEB Fc1c(F)c(F)c(/N=C/c2cccs2)c(F)c1F 3233677 LFRCGZOZYOMXIT-HAVNEIBRSA-N 277.217 4.194 30 40 CIEB CC(/C=N/Nc1ccccc1[N+](=O)[O-])=C\c1ccccc1 5612459 RCHZEFHOPIOLNI-QKIOLIMFSA-N 281.315 4.096 30 40 CIEB C/C(=N\N=C(c1ccccc1)c1ccccc1)c1ccccn1 10217156 RROKOHKGGNLPAS-CJLVFECKSA-N 299.377 4.343 30 40 CIEB Cc1cc(Cl)ccc1/N=C/c1ccc2c(c1)OCO2 18098223 XETIDYKBCFKGJU-CAOOACKPSA-N 273.719 4.128 30 40 CIEB CC(C)c1ccc(CCC(=O)Nc2sccc2C#N)cc1 48365153 QDHDRQGOAJSHMJ-UHFFFAOYSA-N 298.411 4.314 30 40 CIEB N#Cc1ccc(OCc2ccccc2C(F)(F)F)cc1 58868821 JJJHLPCSQUZOBK-UHFFFAOYSA-N 277.245 4.156 30 40 CIEB CC(C)c1ccc(C[S@](=O)Cc2ccc(C#N)cc2)cc1 78288841 PRQNQPFACIFWCQ-NRFANRHFSA-N 297.423 4.131 30 40 CIEB C/C(=N/Nc1nc2ccccc2n1C)c1ccc(C)cc1C 408659795 PLFDHNJAKTZGAZ-ZHZULCJRSA-N 292.386 4.026 30 40 CIEB Cc1cc2cc(C#N)c(N3CCC(C)CC3)nc2cc1Cl 349946 LVNVYLMQPKNNEJ-UHFFFAOYSA-N 299.805 4.305 30 40 CIEB N#Cc1c(-c2cccc(F)c2)cc(C2CC2)[nH]c1=S 523679 WBPMNYZZIIAYNO-UHFFFAOYSA-N 270.332 4.299 30 40 CIEB N#Cc1c(N)oc(-c2cccs2)c1-c1cccs1 3276873 OXIDBDVBRGDPNQ-UHFFFAOYSA-N 272.354 4.190 30 40 CIEB aggregator O=C(/C=C/Nc1ccccn1)c1ccc(Cl)cc1Cl 16545945 YJOYEKJTQHOIOW-SOFGYWHQSA-N 293.153 4.197 30 40 CIEB CC(=O)/C(=C/Nc1ccc(C)cc1)Cc1ccccc1 100365651 CQVUEPQLBYMIKX-GHRIWEEISA-N 265.356 4.123 30 40 CIEB CCSCCC/N=C(/O)c1cc(F)c(F)cc1Cl 330032391 MLBWYHRPPDNSEJ-UHFFFAOYSA-N 293.766 4.066 30 40 CIEB C=CCc1cc(C=O)ccc1OCc1ccc(C)cc1 408857177 NKVXYUMWZMPYCU-UHFFFAOYSA-N 266.340 4.115 30 40 CIEB CCc1ccc(N/C(C)=C/C(=O)c2ccc(C)o2)cc1 409362647 FTXYRFBSHOMFAO-VAWYXSNFSA-N 269.344 4.349 30 40 CIEB CCN(CC)c1ccc(/C=N/OCc2ccc(C)cc2)cc1 3285008 UAWNYNHZRIKWIC-XSFVSMFZSA-N 296.414 4.392 30 40 CIEB C=CCN(Cc1cccs1)C(=O)Nc1cccc(C)c1 8942242 ZABVDEMLTWTVBW-UHFFFAOYSA-N 286.400 4.277 30 40 CIEB N#Cc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 11950589 MIANYEXESRHHIT-UHFFFAOYSA-N 252.704 4.360 30 40 CIEB C=CCc1ccccc1OCc1nc2cc(C)c(C)cc2[nH]1 16904011 IVXZZQKEBLHNHF-UHFFFAOYSA-N 292.382 4.487 30 40 CIEB CCOc1cccc(N/C(C)=C/C(=O)c2ccccc2)c1 33729748 XEWMWINJAVGBQT-WYMLVPIESA-N 281.355 4.284 30 40 CIEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/OC(=O)c1ccc(F)cc1)C2 100812659 PQAMVPPCXDLVCM-MOMDUKOGSA-N 289.350 4.185 30 40 CIEB C=CCOc1cccc(CNc2ccccc2CC)c1 409111989 AGIUKPBEQLUGLQ-UHFFFAOYSA-N 267.372 4.426 30 40 CIEB C[C@H]1CCC/C(=C/Nc2cccc(Br)c2)C1=O 409181378 BZPKGAOXTATHQS-RGAIUGGKSA-N 294.192 4.134 30 40 CIEB O=C1/C(=C/c2ccc(Cl)cc2)Cc2ccccc21 12368763 WCCMOJFVRKHFBN-UKTHLTGXSA-N 254.716 4.162 30 40 CIEB Cc1[nH]c2ccccc2c1C(=O)/C=C\c1ccccc1O 17188054 BIMDLCULOMFPAJ-KHPPLWFESA-N 277.323 4.078 30 40 CIEB CC[C@@H](C)C(=O)Nc1cccc(C#Cc2cccs2)c1 25754503 JRSNRSYSNVHWES-CYBMUJFWSA-N 283.396 4.133 30 40 CIEB CC(C)COc1ccc(/C=N/Nc2ccccc2)cc1 59565377 OJNSKXLNSVSRDD-LDADJPATSA-N 268.360 4.167 30 40 CIEB C=C(C)[C@H]1CC=C(C)/C(=N/Nc2nncc3ccccc23)C1 102219762 HROMARZXGIQIMN-SHUBJWRZSA-N 292.386 4.330 30 40 CIEB N#C/C(=N/c1ccccc1)c1cccc(Br)c1 104213214 UJDDDQBHPMRMAV-VKAVYKQESA-N 285.144 4.093 30 40 CIEB CC(C)Cc1ccc(C#N)n1Cc1ccc(Cl)cc1 226023432 SVMWKYCMHMGWGD-UHFFFAOYSA-N 272.779 4.260 30 40 CIEB N#Cc1ccc(N=Cc2c(O)ccc3ccccc23)cc1 245238941 CRSJDEBLYKFEPB-UHFFFAOYSA-N 272.307 4.168 30 40 CIEB O=C1Nc2ccccc2/C1=N\c1ccc(-c2ccccc2)cc1 58486 RYMYIBWTDZLYNL-UHFFFAOYSA-N 298.345 4.427 30 40 CIEB C#Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 100248 BIFVKZCGZYJWCD-UHFFFAOYSA-N 290.149 4.227 30 40 CIEB Nc1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1 2458560 QUHWKSKVSOZEHX-UHFFFAOYSA-N 293.207 4.151 30 40 CIEB Cc1cc(C(C)(C)C)ccc1OC(=O)c1ccc(C#N)cc1 3374712 QOFQZMIVVNIWCQ-UHFFFAOYSA-N 293.366 4.383 30 40 CIEB C[C@@H](NCC#Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 8534845 SYVOPOSGGMKXOT-WXYKMOQMSA-N 293.454 4.233 30 40 CIEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\O 12657948 XLJMBRPBVDJBPJ-MPFRBPCMSA-N 285.387 4.079 30 40 CIEB biogenic Oc1ccc2ccccc2c1/C=N\C1CCCCC1 18010503 BALNFYMIMXPXOU-PDGQHHTCSA-N 253.345 4.297 30 40 CIEB Cc1nc2ccccc2nc1SCc1cccc(C#N)c1 28191245 VEEYRXXTYQNGKE-UHFFFAOYSA-N 291.379 4.102 30 40 CIEB C=CCCC(=O)c1ccc(Br)cc1Cl 168407305 DZHGNHYLVPDJHN-UHFFFAOYSA-N 273.557 4.251 30 40 CIEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(CC)c2C)cc1 409095019 GJIHMHGRPWTXSO-XDHOZWIPSA-N 298.386 4.052 30 40 CIEB CCCCCCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 50704906 UNOMUPOSVADGHI-UHFFFAOYSA-N 275.352 4.374 30 40 CIEB CCCCCCCCO[C@@H](CN)C(Cl)(Cl)Cl 104132305 WSHHKWFALBAFRQ-JTQLQIEISA-N 290.662 4.061 30 40 CIEB CCOc1ccc(/C=N/c2ccc(C)c(C)c2)cc1 298199 ZSNODWZDZBHAHU-LDADJPATSA-N 253.345 4.453 30 40 CIEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(C)cc1)C2 488271 ABHRTSZRXZVMIQ-RDTXWAMCSA-N 269.388 4.316 30 40 CIEB Oc1ccc(/N=C/c2ccc(N3CCCCC3)cc2)cc1 1093617 ICNNZOUJCSKTFW-XMHGGMMESA-N 280.371 4.133 30 40 CIEB C=CCNc1nc(-c2c(C)[nH]c3ccccc23)cs1 2359546 BMWQAOHEGSUPSL-UHFFFAOYSA-N 269.373 4.198 30 40 CIEB N#Cc1nc(-c2cccs2)oc1Sc1ccccc1 27663334 MZKVAEQMPNTQTE-UHFFFAOYSA-N 284.365 4.426 30 40 CIEB Cc1cc(/N=C/c2cc(Cl)ccc2O)ccc1F 100037408 WADGOOJVZJKKBA-CAOOACKPSA-N 263.699 4.244 30 40 CIEB O/N=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 104852691 DUJKWIPUUMMVNE-IUXPMGMMSA-N 296.153 4.381 30 40 CIEB Oc1ccccc1N=Cc1ccc2ccccc2c1O 260840637 POVDEAGJCGXHOK-UHFFFAOYSA-N 263.296 4.002 30 40 CIEB Cc1oc(/N=C/c2cccc(Cl)c2)c(C#N)c1C 62217 KWJOQCNMGFTHAN-CAOOACKPSA-N 258.708 4.172 30 40 CIEB C=CC[C@H](Nc1ccccc1)c1ccc(OC)c(OC)c1 537852 XQAOERIZYMRWSJ-INIZCTEOSA-N 283.371 4.433 30 40 CIEB Cc1cc(C)c(C#N)c(S[C@H](C)c2ccccc2)n1 5642100 MMWDSBSQKRIOJX-CYBMUJFWSA-N 268.385 4.423 30 40 CIEB Cc1ccc(NC2=CC(=O)C[C@@H](c3ccccc3)C2)cc1 6044373 PUULLVSJRVFHAN-INIZCTEOSA-N 277.367 4.438 30 40 CIEB COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1 6432935 SCJOVRRFFBMCAL-YRNVUSSQSA-N 266.340 4.208 30 40 CIEB CCCCCSc1nc(C)c(CC)c(C)c1C#N 6783039 JVYDGTKMMWCBSD-UHFFFAOYSA-N 262.422 4.415 30 40 CIEB Clc1ccc(/N=C/C=C/Nc2ccc(Cl)cn2)nc1 18252307 QQOYEDBNQKVVDM-KKUAKQIGSA-N 293.157 4.112 30 40 CIEB Cc1cccc(NC(=O)c2ccccc2SCC#N)c1C 29485102 KPDMPQZXTGEPBP-UHFFFAOYSA-N 296.395 4.171 30 40 CIEB CC(C)(C)c1cc(CCC=O)cc(C(C)(C)C)c1O 79367969 KYWWSSTVQKHWTF-UHFFFAOYSA-N 262.393 4.119 30 40 CIEB C=CCCCCOc1cc(Br)cc(F)c1F 309372876 SXDQXXJFFHPKPT-UHFFFAOYSA-N 291.135 4.462 30 40 CIEB CCc1c(C)sc(NC(=O)C2CCCCC2)c1C#N 2739130 NUMZQVYXCDXXIW-UHFFFAOYSA-N 276.405 4.009 30 40 CIEB Cc1csc(N/N=C/c2c(Cl)cccc2Cl)n1 3958821 NICOHQKPZCNVMV-LHHJGKSTSA-N 286.187 4.204 30 40 CIEB Oc1c(/C=N/c2ccc3c(c2)OCO3)ccc2ccccc12 6345231 IBAMQZHPBYQGEG-VXLYETTFSA-N 291.306 4.025 30 40 CIEB Cc1cc(C)c([C@H](C#N)CC(=O)c2ccccc2)c(C)c1 8622394 LLHZGWQHWMKOIV-KRWDZBQOSA-N 277.367 4.492 30 40 CIEB O=C(/C=C/c1ccc(Cl)s1)c1ccc(O)cc1 14175587 KFVBZNRVLDUKJW-FNORWQNLSA-N 264.733 4.003 30 40 CIEB C=CCN1CCCC[C@@H]1c1ccc(Br)cc1 90750619 HYWNXELTZSYGLP-CQSZACIVSA-N 280.209 4.162 30 40 CIEB CCCCC[C@H](O)C#Cc1ccc(C(C)(C)C)cc1 95631485 QMZYPQKHGOZKSA-KRWDZBQOSA-N 258.405 4.277 30 40 CIEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N\OC(=O)c1ccc(F)cc1)C2 100098214 PQAMVPPCXDLVCM-WISCWAIPSA-N 289.350 4.185 30 40 CIEB N#CC1(c2ccc3ccc(Br)cc3c2)CC1 261219730 KQILLKVKHVVGNO-UHFFFAOYSA-N 272.145 4.157 30 40 CIEB Cc1cc(/C=N/c2cccnc2)c(C)n1-c1ccccc1 408738205 SCOFAUXXVATDTR-UDWIEESQSA-N 275.355 4.240 30 40 CIEB CCOc1ccc(/C=N/c2cc(C)cc(C)c2)cc1 65832 UUQBLCOAWARQHY-LDADJPATSA-N 253.345 4.453 30 40 CIEB Cc1ccc(N/N=C/c2cccc([N+](=O)[O-])c2)cc1Cl 6674029 DQQNICLCOOYLDG-CXUHLZMHSA-N 289.722 4.003 30 40 CIEB Cc1ccccc1/C=C/C(=O)c1ccc(F)cc1F 7712543 HJHHAZYDQDRGMX-RMKNXTFCSA-N 258.267 4.169 30 40 CIEB C=CCOc1cccc(NC(=S)Nc2ccccc2)c1 14783723 DYSCSGVIWJGKNI-UHFFFAOYSA-N 284.384 4.060 30 40 CIEB CO[C@H](C)c1cccc(NCC(C)(C)CCC#N)c1 95428982 NIMZNAAWLWXIKG-CYBMUJFWSA-N 260.381 4.136 30 40 CIEB N#Cc1ccc(/N=C/c2ccc(N3CCCCC3)cc2)cc1 100252323 DXGINODTBLZZLJ-RCCKNPSSSA-N 289.382 4.299 30 40 CIEB CC[C@@H](C)n1c(C#N)cc(N)c1Oc1ccc(Cl)cc1 225882180 JCUMTAXSBOUSLD-SNVBAGLBSA-N 289.766 4.359 30 40 CIEB C/C=C/C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F 575243041 OFVHLQLEPWDDPJ-NSCUHMNNSA-N 282.183 4.483 30 40 CIEB CCCCCCCNc1ccc(C(=O)OCC)cc1 1723608 DLJBEKSLQWOKPI-UHFFFAOYSA-N 263.381 4.246 30 40 CIEB O=C1C(=C2SCCS2)CC/C1=C\c1ccccc1 3353329 DPKBGNKHRXFGLY-ZRDIBKRKSA-N 274.410 4.125 30 40 CIEB Cc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)c1 6831010 JNKRUFQDJFTWHT-DNTJNYDQSA-N 293.292 4.163 30 40 CIEB C=C(Cl)CSc1nc2ccc(Cl)cc2[nH]1 10621625 OWDMOQXFXCRRKB-UHFFFAOYSA-N 259.161 4.061 30 40 CIEB COC(=O)CCCCCCCCCC[C@H]1CC[C@H]2O[C@H]12 100393804 JXXIAKRPDCYUOP-ZMSDIMECSA-N 282.424 4.238 30 40 CIEB in-vitro CCCCCCCC(=O)NCc1ccc(Cl)cc1 100971275 XDPFORTURWPDBO-UHFFFAOYSA-N 267.800 4.317 30 40 CIEB Oc1ccc2ccccc2c1C=Nc1cccc(F)c1 254582751 GSIHJYQKNMWELJ-UHFFFAOYSA-N 265.287 4.435 30 40 CIEB N#Cc1c2c(c(-c3ccccc3)[nH]c1=S)CCCC2 289863 STUSPCMHZXZZGE-UHFFFAOYSA-N 266.369 4.162 30 40 CIEB O=C(C[n+]1ccccc1)c1ccc2ccc3ccccc3c2c1 1668063 BGNRARDRZLDUJG-UHFFFAOYSA-N 298.365 4.163 30 40 CIEB O=C1/C(=C\c2ccc(F)cc2)CSc2ccc(F)cc21 33466971 LZVLMUWHNSTUAE-XFFZJAGNSA-N 288.318 4.337 30 40 CIEB C/N=C(/NC(c1ccccc1)c1ccccc1)c1ccco1 57991426 RQRKNJHHTPNPNT-UHFFFAOYSA-N 290.366 4.035 30 40 CIEB CC1=C[C@@H]([C@@H]2/C(=N\O)C=C(C)CC2(C)C)[C@H](O)C(C)(C)C1 100134381 JFSZVSHUGZIAMG-OFSMTVBNSA-N 291.435 4.162 30 40 CIEB in-vitro OC(/C=N\c1ccccc1)=C\C=C\Nc1ccccc1 100388910 AODMFXLIWQBNQE-LZMSYVHFSA-N 264.328 4.457 30 40 CIEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)C2 100943677 XLLSPLQKTNGEIA-NFCRZVKOSA-N 287.363 4.209 30 40 CIEB Fc1ccc(N/N=C2/CCCc3ccccc32)c(F)c1 103381636 CVMPMLMAWGVOSS-CYVLTUHYSA-N 272.298 4.117 30 40 CIEB CC(C)N1c2cc(F)c(C#N)cc2[C@H](C)CC1(C)C 260714106 AQMQHSMBQBTUGA-LLVKDONJSA-N 260.356 4.198 30 40 CIEB C#CCn1cc(/C=C2\Cc3ccccc3C2=O)c2ccccc21 409371494 KFKNLVZVOGDJRC-DTQAZKPQSA-N 297.357 4.097 30 40 CIEB CC(C)=CC(=O)c1ccccc1OC(F)(F)C(F)F 575361201 URPSZAOEBYDFIM-UHFFFAOYSA-N 276.229 4.072 30 40 CIEB Fc1ccc(/N=C/c2ccc(Cl)s2)c(F)c1 1095160 QULNQKSISSWSTH-GIDUJCDVSA-N 257.692 4.430 30 40 CIEB C=CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1 8073593 NHXDDNISHWXMJC-UHFFFAOYSA-N 295.382 4.375 30 40 CIEB CCC1=C/C(=N/O)C(C)=C[C@@]1(C)C(Cl)(Cl)Cl 16952842 AIYLMMFSRJXYHZ-XBDQXEDDSA-N 282.598 4.489 30 40 CIEB CC(C)c1ccc(Nc2ccc(N)cc2C#N)cc1 41020542 QEADKFDCKUQHQW-UHFFFAOYSA-N 251.333 4.007 30 40 CIEB CCOc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC 58732713 UACMGELGJYFQBN-YRNVUSSQSA-N 296.366 4.298 30 40 CIEB CCCCCC[C@](C)(O)C#Cc1ccc(C)cc1C 95633530 PTGWXFUXSNBKON-SFHVURJKSA-N 258.405 4.376 30 40 CIEB C=CCOC(=O)/C=C/c1ccc(F)c(Oc2ccccc2)c1 216863025 UEJNVOOMPGMCMP-PKNBQFBNSA-N 298.313 4.360 30 40 CIEB O=[N+]([O-])c1ccc(F)c(/N=C/c2cccc(Cl)c2)c1 273835 HBILNPAULCGIQT-LZYBPNLTSA-N 278.670 4.138 30 40 CIEB CCCCCCC(=O)/C=C/c1cccc(OC)c1OC 1572409 SVEFOUOTJXTDBZ-OUKQBFOZSA-N 276.376 4.257 30 40 CIEB Cc1cc(C)c([N+](=O)[O-])cc1/N=C/c1cccs1 3229367 MQKTVIOSOOYZHO-RIYZIHGNSA-N 260.318 4.024 30 40 CIEB CCc1ccc(/C=C/C(=O)c2cccc(C)c2)cc1 71977180 NTAPHTWBGAESPW-VAWYXSNFSA-N 250.341 4.454 30 40 CIEB C=CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 95631380 XUCDULLDZOZAAA-UHFFFAOYSA-N 254.173 4.453 30 40 CIEB CN1/C(=C\C=N\Cc2ccco2)C(C)(C)c2ccccc21 105176457 KMWCOUZTVCJHSK-ALAONZSNSA-N 280.371 4.162 30 40 CIEB N#CC1(c2cc(Br)c3ccccc3c2)CC1 575629405 VXNABADVMZYSDR-UHFFFAOYSA-N 272.145 4.157 30 40 CIEB O=C1/C(=C/c2cccc3ccccc23)Oc2cc(O)ccc21 938722 GAJFCKUZXOBABE-ZDLGFXPLSA-N 288.302 4.162 30 40 CIEB CCCCCCCCCNC(=O)c1ccccc1F 3157375 ZRAKMRCOBXMAII-UHFFFAOYSA-N 265.372 4.306 30 40 CIEB CCc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 4906840 BZPCFIIAXVRDMB-KPKJPENVSA-N 281.311 4.053 30 40 CIEB CCc1cccc2c(C#N)cn(CCOc3ccccc3)c12 6945314 VZXUBBBIXUUOII-UHFFFAOYSA-N 290.366 4.154 30 40 CIEB Cc1noc2c1[C@H](CC(C)C)C1=C(CC(C)(C)CC1=O)N2 20736639 DVKMKBYQRIYWTC-NSHDSACASA-N 288.391 4.181 30 40 CIEB CCCC[C@H](CC)[C@@H](O)C#Cc1ccc(C)c(C)c1 95633603 WWRWSEWYNIUGND-ROUUACIJSA-N 258.405 4.232 30 40 CIEB CCCCOc1ccc(NC(=O)O/N=C(\Cl)CC)cc1 100228516 ILRONMBCAIDEQP-LGMDPLHJSA-N 298.770 4.376 30 40 CIEB CCCCCCCCCCCCNC(=O)OC[C@H](C)O 104259979 JATKNQSFORQACL-HNNXBMFYSA-N 287.444 4.014 30 40 CIEB C[C@@H](OC(=O)c1cccc(C#N)c1)c1ccccc1Cl 5014358 UKKHFRGXDZJPQW-LLVKDONJSA-N 285.730 4.130 30 40 CIEB CCc1ccc(N/N=N\c2ccccc2C#N)cc1 16971354 ABPRIADBDJPCTR-UHFFFAOYSA-N 250.305 4.231 30 40 CIEB Cc1cccc(/N=C/C=C2OC(C)(C)C(C)(C)O2)c1 18115342 NZCGKUQFRUXAGS-LICLKQGHSA-N 259.349 4.143 30 40 CIEB C(=N\N=C/c1ccc2c(c1)CCC2)\c1ccc2c(c1)CCC2 25666652 MTDMQIPYYJFPMB-JZTLMNBPSA-N 288.394 4.117 30 40 CIEB O=C(/C=C\c1ccc(O)cc1)c1ccc2ccccc2c1 77037530 VUXHIPRYBOEAAE-GHXNOFRVSA-N 274.319 4.442 30 40 CIEB CCOc1cccc(/C=N/Nc2nc3ccccc3s2)c1 408590695 QGXDDNGVZHSVNO-GZTJUZNOSA-N 297.383 4.141 30 40 CIEB C=C(C)CNC(=S)Nc1ccc(Oc2ccccc2)cc1 6238219 QLJTVCXZTIAHAR-UHFFFAOYSA-N 298.411 4.341 30 40 CIEB C#CCOc1ccc(/C=N/c2ccc(C)cc2C)cc1 8368721 UKVJECWXXBINTD-CPNJWEJPSA-N 263.340 4.066 30 40 CIEB Oc1ccc(/N=C\c2ccc3ccccc3c2O)cc1 13985071 GBJYDXBVQIPJFH-WQRHYEAKSA-N 263.296 4.002 30 40 CIEB CCCCCCCCCCCCC/C=N/NC(=N)N 104391345 CNZZIJXHORRWPY-NBVRZTHBSA-N 268.449 4.156 30 40 CIEB C=C(C)CSc1ncnc2c1oc1nc(C)cc(C)c12 6759014 PWWSAEBGMJXHIK-UHFFFAOYSA-N 285.372 4.056 30 40 CIEB CCOc1ccc(/N=C/c2ccc(OC)c(Cl)c2)cc1 6962493 IATZLJMWLBRYBB-WOJGMQOQSA-N 289.762 4.498 30 40 CIEB O=C(/C=C/c1ccccc1)SCc1ccccc1 16972227 DTZLSCSFWWJYGJ-VAWYXSNFSA-N 254.354 4.160 30 40 CIEB CCCCCCCC(=O)O[C@H](CC(=O)O)CC(C)(C)C 71404885 RVVLAMYLCIDUKQ-CYBMUJFWSA-N 286.412 4.170 30 40 CIEB C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@H]12 90650287 HJTUINCBGMVXOB-QXGSTGNESA-N 284.399 4.008 30 40 CIEB C=C(C)C(=O)c1cccc(OCc2ccccc2)c1 95830611 JEKRJEOQJYLFRR-UHFFFAOYSA-N 252.313 4.024 30 40 CIEB CC(C)=CC(=O)c1ccc(Br)c(Cl)c1 169160551 RRVDDACITDWTDY-UHFFFAOYSA-N 273.557 4.251 30 40 CIEB CCOc1cccc(/C=C2/Sc3ccccc3C2=O)c1 409346215 MYMPMLHCFSCZPA-LFIBNONCSA-N 282.364 4.415 30 40 CIEB Cc1ccc([N+](=O)[O-])cc1/N=C/c1cccc(Cl)c1 297455 UITPRDFDRXATIR-CXUHLZMHSA-N 274.707 4.307 30 40 CIEB C=C(C)Cn1c(COc2ccccc2)nc2ccccc21 572616 CGPYEPWTSMGMPO-UHFFFAOYSA-N 278.355 4.191 30 40 CIEB Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)nc1 13126364 YUVOFHUAXDLFBA-REZTVBANSA-N 281.142 4.153 30 40 CIEB CC(C)(C)c1ccc(/C=N/OCc2ccccc2C#N)cc1 15552567 YRRUYDUQQGWWTR-FYJGNVAPSA-N 292.382 4.406 30 40 CIEB Cc1cccc(N/C=C/C(=O)c2ccccc2)c1C 32100055 WRBQLBLSJRUVLD-VAWYXSNFSA-N 251.329 4.112 30 40 CIEB CCCCCCCOc1ccc(/C=C/C(=O)O)cc1 100083171 PCEUYCVFQYQWJC-FMIVXFBMSA-N 262.349 4.134 30 40 CIEB C(=N\c1cccc2ccccc12)\c1ccc2c(c1)OCO2 104136514 WPZIACALTHYTMH-ODLFYWEKSA-N 275.307 4.319 30 40 CIEB C[C@H](c1ccc(Cl)cc1)[S@](=O)CCC(C)(C)C#N 123446965 XEIHXOAGSMCDOD-ZMZPIMSZSA-N 283.824 4.090 30 40 CIEB COc1ccc2c(c1)CC/C(=C/c1ccc(F)cc1)C2=O 102796 IUKMHNGSODTMIV-UVTDQMKNSA-N 282.314 4.047 30 40 CIEB N#Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 485422 MXBXBVKAEDXOAG-UHFFFAOYSA-N 291.137 4.117 30 40 CIEB N#C[C@@H]1CCC[C@](c2ccccc2)(C2CCCCC2)C1=O 1564921 FFGUANRCTFBQIS-KXBFYZLASA-N 281.399 4.397 30 40 CIEB CCCCCCCC(=O)P(=O)(OCC)OCC 1693480 ODWLXBMGRXVJBU-UHFFFAOYSA-N 264.302 4.140 30 40 CIEB CC(C)(C)c1ccc(C(=O)COc2cccc(C#N)c2)cc1 3453167 VADNIYQPPFWUQD-UHFFFAOYSA-N 293.366 4.117 30 40 CIEB C=CCNCc1ccc2c(c1)c1ccccc1n2CC 4942795 MYUITMWLLRUNQL-UHFFFAOYSA-N 264.372 4.090 30 40 CIEB C/C(C/C(C)=N/c1ccccc1O)=N\c1ccccc1O 101400198 VLWWRTKFDAUCMI-KLCVKJMQSA-N 282.343 4.373 30 40 CIEB CCCCCCCCc1ccc(C(=O)CC[N+](=O)[O-])cc1 114814472 NJNSEIUIBRRLDJ-UHFFFAOYSA-N 291.391 4.439 30 40 CIEB C=CCC(C)(C)C(=O)Nc1ccc(OC(C)C)cc1 225941702 UZVFIGPQCNVKPE-UHFFFAOYSA-N 261.365 4.015 30 40 CIEB C=CCOC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)o1 226256199 OXTKDIVRHAUYFU-CSKARUKUSA-N 288.730 4.342 30 40 CIEB CC[C@H](C)c1ccc(O)c(/N=C/c2cccc(OC)c2O)c1 345194 ZVPLGBMYDWPMMK-MKFNJMOCSA-N 299.370 4.371 30 40 CIEB N#Cc1ccccc1NC(=O)CCCSc1ccccc1 9473251 SRRNLBBHSKGUAV-UHFFFAOYSA-N 296.395 4.069 30 40 CIEB O/N=C/c1cccc(OCc2cccc3ccccc23)c1 103844697 NZILLBFUCDCCLJ-XDHOZWIPSA-N 277.323 4.227 30 40 CIEB CCCCCCCCCCCC[S@@](=O)C[C@@H](C)O 104189579 MKMIQRZGJOVVSO-QAPCUYQASA-N 276.486 4.037 30 40 CIEB N#Cc1nc(-c2ccco2)oc1NCc1ccc(Cl)cc1 352181 WTKHUYSCHWWCAO-UHFFFAOYSA-N 299.717 4.072 30 40 CIEB C#CC[N+](CC#Cc1ccccc1)(CCCC)CCCC 2226352 IZVUOTNCBBYCTL-UHFFFAOYSA-N 282.451 4.088 30 40 CIEB Cc1s/c(=N/N=C/[C@@H]2CC=CCC2)[nH]c1-c1ccccc1 4954971 UJESCUXYJPHILH-CRRKTRLDSA-N 297.427 4.294 30 40 CIEB C/C(=N/Nc1ccncc1)c1ccc2ccccc2c1 6317056 FIJFOWVYBHSJSE-UYRXBGFRSA-N 261.328 4.071 30 40 CIEB CN(C)CC[C@@](C#N)(c1cccs1)C1CCCCC1 6437071 NAMLLARPYQPEOG-INIZCTEOSA-N 276.449 4.041 30 40 CIEB CC(C)=NNc1nc(-c2cc3ccccc3o2)cs1 16138684 PFWJJKHAWUFQLK-UHFFFAOYSA-N 271.345 4.364 30 40 CIEB COc1ccc(Cl)cc1C1(C#N)CCC(C)CC1 88691783 BKPLLLQNBYCDRC-UHFFFAOYSA-N 263.768 4.320 30 40 CIEB CC(C)Oc1ccccc1C(=O)/C=C/c1ccccc1 137763202 BNACEHJQUYZDKF-OUKQBFOZSA-N 266.340 4.370 30 40 CIEB C=CCOc1cccc(CNc2ccc(C)cc2)c1 409118095 NBTDISQYWRCJJQ-UHFFFAOYSA-N 253.345 4.172 30 40 CIEB CCC(=O)c1cn(Cc2ccc(C#N)cc2)c2ccccc12 560728 ZVKXGNZPSDGQBZ-UHFFFAOYSA-N 288.350 4.154 30 40 CIEB N#CC1=Cc2ccc(cc2)C(C#N)=Cc2ccc1cc2 4268294 CZEFHVLOASZOJL-UHFFFAOYSA-N 254.292 4.128 30 40 CIEB biogenic COc1cccc(/C=C/C(=O)c2ccc(SC)cc2)c1 19926893 DMSDQXCBFMQNOB-IZZDOVSWSA-N 284.380 4.313 30 40 CIEB CC(C)N1c2cc(F)c(C#N)cc2[C@@H](C)CC1(C)C 223776320 AQMQHSMBQBTUGA-NSHDSACASA-N 260.356 4.198 30 40 CIEB Clc1ccc(/C=N/Nc2ccc3ccccc3n2)cc1 4688458 VOSRWMQZMOOBPW-WOJGMQOQSA-N 281.746 4.334 30 40 CIEB O=[N+]([O-])c1ccc(/N=C/c2ccc3ccccc3c2O)cc1 16526023 KBRPTIQDEVIVEH-WOJGMQOQSA-N 292.294 4.204 30 40 CIEB CC(C)c1ccc(C#C[C@](C)(O)c2ccccc2)cc1 95633103 OHRAFPQDYGEAOS-IBGZPJMESA-N 264.368 4.069 30 40 CIEB C#Cc1cccc(OCc2ccc(F)cc2C(F)(F)F)c1 199731723 KFJNWJKWOPIBKU-UHFFFAOYSA-N 294.247 4.405 30 40 CIEB Cc1c(/C=C/C(=O)c2ccccc2)c2ccccc2n1C 3999664 OCZTTYPHSZUWAB-OUKQBFOZSA-N 275.351 4.383 30 40 CIEB biogenic N#Cc1ccccc1OCc1csc(-c2ccccc2)n1 8428942 FXYKXUUDJYUSDP-UHFFFAOYSA-N 292.363 4.261 30 40 CIEB CC(/C=C/c1ccc(F)cc1)=N\Nc1ccc([N+](=O)[O-])cc1 12693482 JCASTVMROJJCHY-YCOBMQIASA-N 299.305 4.235 30 40 CIEB Cc1coc(C)c1C(=O)/C=C/c1ccc2cccnc2c1 32815382 AEHQXZCUENIDCD-SOFGYWHQSA-N 277.323 4.341 30 40 CIEB N#Cc1cccnc1SCc1cccc(C(F)(F)F)c1 54363666 SJVWMVWTTGKXNA-UHFFFAOYSA-N 294.301 4.264 30 40 CIEB CCCCCCCC(=O)c1ccc(CCOC(C)=O)cc1 100046737 YRGCTTARENKHBN-UHFFFAOYSA-N 290.403 4.335 30 40 CIEB CCCCCCCOc1ccc(C(=O)OCC)cc1 101469889 COPYTTHZCLEPLZ-UHFFFAOYSA-N 264.365 4.213 30 40 CIEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(C=NO)cc21 260569823 SLPVFXZDVIIZOX-UHFFFAOYSA-N 272.392 4.213 30 40 CIEB Cc1cc(C)cc(COc2ccc(Cl)cc2/C=N/O)c1 408938520 KSUNAWRKLQAPKV-GIJQJNRQSA-N 289.762 4.344 30 40 CIEB C#CCOc1cccc(/C=N\c2cc(C)ccc2C)c1 409201410 MTPKKCFBTJHADN-UYRXBGFRSA-N 263.340 4.066 30 40 CIEB COc1ccc([C@@H]2C(=O)C(Cl)=C2c2ccccc2)cc1 367463 CBVRXPALIBXOEA-HNNXBMFYSA-N 284.742 4.012 30 40 CIEB CCC[N+](/C=C/C(=O)c1ccccc1)(CCC)CCC 2385030 PYVKMWRKMNKWDY-FOWTUZBSSA-N 274.428 4.430 30 40 CIEB Cc1c2c(nc3ccccc13)CC[C@](C#N)(c1ccccc1)C2 6507531 BWEWJBSLIVXJJV-NRFANRHFSA-N 298.389 4.494 30 40 CIEB COc1ccccc1C(=O)/C=C/c1ccccc1Cl 16927202 WAWMOVYCORXJEL-ZHACJKMWSA-N 272.731 4.245 30 40 CIEB Cc1ccccc1-c1nc(C#N)c(N2C[C@@H](C)C[C@@H](C)C2)o1 17970687 IDAHVDRLINGVEQ-BETUJISGSA-N 295.386 4.004 30 40 CIEB Cc1c(Cl)cccc1-n1ccnc1SCCCC#N 48309393 WXQBCTCDUOTAGO-UHFFFAOYSA-N 291.807 4.230 30 40 CIEB C=C(C)C(=O)c1ccc(OCc2ccccc2)cc1C 310033994 ZQHWCDLPNRADOL-UHFFFAOYSA-N 266.340 4.333 30 40 CIEB C=CCOc1ccc(/C=N/c2ccc(OC)cc2)cc1 2490066 KCLIDYIJDUBJMR-QGOAFFKASA-N 267.328 4.011 30 40 CIEB COc1ccc(N/C=C2\C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)cc1 4701275 GGNDKYIEESZQFH-IRELMECMSA-N 285.387 4.016 30 40 CIEB C=CCOC(=O)/C=C/c1ccc(-c2cccc(Cl)c2)o1 4843883 DETRFLJZDDDKBJ-VQHVLOKHSA-N 288.730 4.342 30 40 CIEB Cc1ccc(C(=O)/N=C2/C[C@H]3CC[C@]2(C)C3(C)C)cc1 4980861 QHRWIYCBIBBJQB-KSLXEMFJSA-N 269.388 4.422 30 40 CIEB Cc1ccc2oc(C(=O)Nc3ccccc3C#N)c(C)c2c1 5032604 VXWSMQRPXILBFZ-UHFFFAOYSA-N 290.322 4.174 30 40 CIEB C[C@@]1(c2ccccc2)CC/C(=C\c2ccccc2)C1=O 5742897 GYRXIIXAVFMVSI-IDCODDLRSA-N 262.352 4.391 30 40 CIEB Cc1c(O)cc(C(=O)/C=C/c2ccccc2)cc1Cl 12612004 AGGZPVYBILWIMK-BQYQJAHWSA-N 272.731 4.250 30 40 CIEB COc1ccc(/C=C2/CC/C(=C/c3ccco3)C2=O)cc1 13750632 UYIMVWHKHLPWRQ-GFCQZRJLSA-N 280.323 4.118 30 40 CIEB COc1ccc(/C(O)=C\C=N\c2ccccc2OC)cc1 100035652 PCGSHZKGWJVGHC-QYYRWZOBSA-N 283.327 4.005 30 40 CIEB biogenic CCNc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 216781097 JHLIHSLUQAYXLZ-JTQLQIEISA-N 262.422 4.203 30 40 CIEB CCc1ccc(/N=C/c2ccc(OC)c(OC)c2)cc1 497911 SSOLVNBFIXXXKI-LDADJPATSA-N 269.344 4.017 30 40 CIEB C=CS(=O)(=O)CCCCCCCCCCCC 3124489 HTAMRUHHHVQRON-UHFFFAOYSA-N 260.443 4.466 30 40 CIEB Cc1cc(C)c(NC(=O)c2ccc(C#N)cc2)c(Cl)c1 5611886 JOMRBQWKNVYPAU-UHFFFAOYSA-N 284.746 4.081 30 40 CIEB C#CCn1c([C@@H](CC)Oc2ccccc2)nc2ccccc21 9184752 ZTIUYCFNTDQQIP-GOSISDBHSA-N 290.366 4.200 30 40 CIEB Cc1cccc(N/N=C2\CCSc3ccccc32)c1 16974003 CQRAGFHHZOXBFQ-OBGWFSINSA-N 268.385 4.307 30 40 CIEB Clc1cccc(/N=C/c2c(Cl)nc3sccn23)c1 100334788 JWKYLRHRBLQMTI-VIZOYTHASA-N 296.182 4.453 30 40 CIEB C=CCc1cc(C(=O)NCCC2=CCCCC2)ccc1OC 408705539 IEIIAMWXGGCUSZ-UHFFFAOYSA-N 299.414 4.044 30 40 CIEB COc1ccccc1/N=C/c1ccc(N2CCCC2)cc1 408960898 PNSCUFBXSNKJSC-XMHGGMMESA-N 280.371 4.046 30 40 CIEB CC(C(=O)c1cccs1)=C(C(F)(F)F)C(F)(F)F 1627426 XVIOQRWANXHWNV-UHFFFAOYSA-N 288.212 4.372 30 40 CIEB CCc1ccc(C(=O)/C=C/c2cccc(OC)c2)cc1 32114440 GOJKDAJBBVHDKS-FMIVXFBMSA-N 266.340 4.154 30 40 CIEB CC(C)(C)N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21 33778461 VHROBQTXHXDELU-OBKVJGTNSA-N 294.398 4.303 30 40 CIEB Clc1ccc(-n2cccc2/C=N/c2cccnc2)cc1 59248036 XRBCUDYTDYEFIH-XDHOZWIPSA-N 281.746 4.276 30 40 CIEB O=C(/C=C\c1ccco1)c1cc(Cl)cc(Cl)c1O 33376730 MIKNUQMCCASJTD-ARJAWSKDSA-N 283.110 4.188 30 40 CIEB Fc1cccc(/N=C\c2ccc(N3CCCC3)cc2)c1 408843119 DIJCYZGHUWRFDG-UYRXBGFRSA-N 268.335 4.177 30 40 CIEB C/C(=N\Nc1nc(C)cc(C)n1)c1cccc2ccccc12 4925805 XHNIPDWPFHKGKG-KGENOOAVSA-N 290.370 4.083 30 40 CIEB CC(C)(C)/N=C/c1c(O)ccc2oc3c(c12)CCCC3 17720715 ICLFWNYSGLYVBX-VCHYOVAHSA-N 271.360 4.235 30 40 CIEB N#Cc1ccc2ccn(Cc3c(F)cccc3Cl)c2c1 33863842 KKWDLXGRLWEKKK-UHFFFAOYSA-N 284.721 4.354 30 40 CIEB CCCCCCCCCC(=O)Oc1ccc(N)cc1 101005207 KWUYRPCKVXYIMX-UHFFFAOYSA-N 263.381 4.315 30 40 CIEB Cc1ccc(C(C)C)c(O)c1/N=C\c1cccc(O)c1 104373343 DNYOBSUOGWHMLZ-ZDLGFXPLSA-N 269.344 4.280 30 40 CIEB Clc1ccc(N/N=C/c2c[nH]c3ccccc23)cc1 6414377 DUPGXDAWTFRZNM-VCHYOVAHSA-N 269.735 4.267 30 40 CIEB c1ccc(/N=C2/c3ccccc3-c3ncccc32)cc1 13739047 LBYQZAQCUXXVOE-ZZEZOPTASA-N 256.308 4.231 30 40 CIEB CCCCC[C@@H](CN(C)C)C(=O)/C=C\c1ccc(F)cc1 17126420 ASGQVNSGBFJSMI-DDKJEQMHSA-N 291.410 4.166 30 40 CIEB CCCCCCCCCn1c(CO)nc2ccccc21 50704857 ZTQNKIKCPWMTIP-UHFFFAOYSA-N 274.408 4.279 30 40 CIEB CCc1ccc(C(=O)/C=C/NCc2ccc(C)cc2)cc1 100970579 RYTISKBGMJKILY-OUKQBFOZSA-N 279.383 4.044 30 40 CIEB CC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530234 NQWJRGVXUJWIAP-ONEGZZNKSA-N 274.126 4.421 30 40 CIEB O/N=C1\CCCC[C@H]1[C@@H](O)c1c(Cl)cccc1Cl 104206250 WQHCCBTXKDWWRJ-IOUOWHNOSA-N 288.174 4.047 30 40 CIEB Cc1cccc(/C=N\C23CC4CC(CC(C4)C2)C3)c1 104282719 HLGVZVNEMYYNSJ-UNOMPAQXSA-N 253.389 4.383 30 40 CIEB CCOc1ccc(Cl)cc1/C=N\c1cccc(O)c1 409085536 DFRSJJUZRXCJDU-YVLHZVERSA-N 275.735 4.195 30 40 CIEB Cc1ccc(N/C=C/C(=O)c2cccs2)c(C)c1 409358011 JOUQCTIRLOOBQH-BQYQJAHWSA-N 257.358 4.173 30 40 CIEB C=C1N(Cc2cccnc2)C(=O)O[C@@]1(C)CCC=C(C)C 34277 VWKOEBYKDPOLQG-KRWDZBQOSA-N 286.375 4.053 30 40 CIEB Oc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)cc1 296902 QKIGEPBTZSRVJO-LZYBPNLTSA-N 266.127 4.450 30 40 CIEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(OC)cc1)C2 473199 BDPFUXZERTWMOF-FZKQIMNGSA-N 285.387 4.016 30 40 CIEB C=CC(C)(C)c1cc2cc3ccoc3cc2oc1=O 898126 FYCCCUNGXGKNJV-UHFFFAOYSA-N 254.285 4.003 30 40 CIEB biogenic,in-vitro CCOc1ccc(N/C=C2/CCc3ccccc3C2=O)cc1 4905384 PWMUQJUASPSYOF-SQFISAMPSA-N 293.366 4.210 30 40 CIEB O=[N+]([O-])c1ccc(N/N=C/CCC2CCCCC2)cc1 6926377 ODBQGJJLEZXNHL-FOWTUZBSSA-N 275.352 4.353 30 40 CIEB Oc1c(C=Nc2cccc(F)c2)ccc2ccccc12 260840599 JYGNOVYHTUMUPB-UHFFFAOYSA-N 265.287 4.435 30 40 CIEB Cc1cc(C)c(O)c(/N=C/c2cc(Cl)ccc2O)c1 272666 WAQLEZKKPPHTQB-CAOOACKPSA-N 275.735 4.119 30 40 CIEB Oc1c(/C=N\c2ccccc2F)ccc2ccccc12 1100240 OGYWKSGABYELIS-ODLFYWEKSA-N 265.287 4.435 30 40 CIEB CCO/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 2296385 VGJMJPQOSBRXGX-VDCVXVNISA-N 290.432 4.467 30 40 CIEB N#CCCCCCCC(=O)c1cccc(Br)c1 2392780 LTLHWYRKNBAXHQ-UHFFFAOYSA-N 294.192 4.496 30 40 CIEB Clc1ccc(/C=N\N=C\c2ccco2)cc1Cl 5030358 JYKFHHBYHBJJEX-BSHIDLADSA-N 267.115 4.039 30 40 CIEB Clc1ccc2c(N/N=C/c3ccccc3)ccnc2c1 6346065 NWLRNZBSRSGYDK-YBFXNURJSA-N 281.746 4.334 30 40 CIEB CC[C@H](C)Cc1nc(N)c(C#N)c(-c2ccccc2)c1C 18276118 SOUZOUZONPYKJN-LBPRGKRZSA-N 279.387 4.100 30 40 CIEB CCCC[C@@H](CC)[C@H](O)C#Cc1ccc(Cl)cc1 95631811 LYNYQCHAFSHXJS-GDBMZVCRSA-N 264.796 4.269 30 40 CIEB Cc1cc(C)c(C(=O)/C=C/C(=O)c2ccccc2)c(C)c1 1671666 OLQGUEZULVZAEG-MDZDMXLPSA-N 278.351 4.234 30 40 CIEB Cc1nc2ccccc2nc1SCc1ccc(C#N)cc1 2710317 CUFNZJVKEWNNSH-UHFFFAOYSA-N 291.379 4.102 30 40 CIEB N#CCCSc1nnc(-c2ccccc2)c2ccccc12 5242939 TYBYTLMFAGSBCT-UHFFFAOYSA-N 291.379 4.303 30 40 CIEB N#CCCCSc1nc2ccccc2n1-c1ccccc1 7706530 VBKYBXRRVNWBKF-UHFFFAOYSA-N 293.395 4.421 30 40 CIEB CCOc1ccc(C(=O)/C=C/Nc2cccc(C)c2)cc1 51318755 RHELVCSYVSKUDW-VAWYXSNFSA-N 281.355 4.202 30 40 CIEB CCCCCCCCCCCCNC(=O)[C@@H]1CCCO1 102064195 YZWLJRSMOMAJPI-INIZCTEOSA-N 283.456 4.203 30 40 CIEB CC1(C)OB(C2=CCC3(CCCC3)CC2)OC1(C)C 196907141 OYAKRDRDRMFIJC-UHFFFAOYSA-N 262.202 4.289 30 40 CIEB C/C=C/C(=O)c1ccc(Br)cc1C(F)(F)F 309510370 PBFHDRXGOQATND-NSCUHMNNSA-N 293.082 4.227 30 40 CIEB Cc1ccc(C)c(C(=O)/C=C/c2ccc(F)cc2)c1 4317031 IMJCAXREXNBXSP-JXMROGBWSA-N 254.304 4.339 30 40 CIEB CCCCCCCn1c(NC(=O)CC)nc2ccccc21 17596041 XQLLJACJXNKEBS-UHFFFAOYSA-N 287.407 4.355 30 40 CIEB CC(C)c1nc(NCc2ccco2)c(C#N)c2c1CCCC2 20589265 KNECBKWLOUBXJX-UHFFFAOYSA-N 295.386 4.161 30 40 CIEB CC(C)(C)c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1 83262350 QNFGVLPVQSUMKV-PDGQHHTCSA-N 297.358 4.338 30 40 CIEB Cc1cccc(N/N=C/c2ccc(Br)cc2)c1 4927207 GQZCCBZEZLVIQQ-MHWRWJLKSA-N 289.176 4.204 30 40 CIEB N#Cc1cccc(/C=C2/CSc3c(F)cccc3C2=O)c1 13013021 FSQRXRXJBGMVMW-JYRVWZFOSA-N 295.338 4.069 30 40 CIEB CCCCCC[C@@](C)(O)C#Cc1cc(C)cc(C)c1 95633062 AGCFSZRNEYVJCD-GOSISDBHSA-N 258.405 4.376 30 40 CIEB N#Cc1ccsc1/N=C/c1ccccc1C(F)(F)F 100405480 DXLXLJYZWUXNQY-QGMBQPNBSA-N 280.274 4.389 30 40 CIEB Cc1cc(N2CCCC2)c(F)cc1/C=N\c1ccccc1O 109264153 GFNZIFNXOKUTCW-NDENLUEZSA-N 298.361 4.191 30 40 CIEB COc1ccc(/N=C/c2cc(C)ccc2O)cc1Cl 224205 OTUYOQDJJLMVAU-RQZCQDPDSA-N 275.735 4.113 30 40 CIEB c1ccc(-c2ccc(-c3ccccc3)n2C[C@@H]2CO2)cc1 4113382 ZBSFHXLOJXKJSR-QGZVFWFLSA-N 275.351 4.221 30 40 CIEB C/C(=N\Oc1cccc(F)n1)c1ccc(Cl)cc1Cl 5184419 IHXZWSYYHUGPCZ-QGMBQPNBSA-N 299.132 4.331 30 40 CIEB Cc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1 12447496 UFODXBNVDJSWAB-LZYBPNLTSA-N 290.706 4.013 30 40 CIEB Cc1cc(N2CCCC2)ccc1/C=N\C1CCCCC1 408962280 XYJPKLDZWUXAHC-RGEXLXHISA-N 270.420 4.347 30 40 CIEB Cc1c(/N=C/c2cccc(Cl)c2)cccc1[N+](=O)[O-] 273975 ARDUWYPATLMUEC-CXUHLZMHSA-N 274.707 4.307 30 40 CIEB FC(F)(F)c1ccc(Cl)c(N/N=C/c2cccnc2)c1 4922594 FKJDNFAUOXARJC-UFWORHAWSA-N 299.683 4.200 30 40 CIEB Cc1cccc(/C=N/Nc2ccc(C(F)(F)F)cc2)c1 6034503 FLGGFOROHIDLQQ-VXLYETTFSA-N 278.277 4.460 30 40 CIEB CN1/C(=C\C(=O)c2ccc(F)cc2)C(C)(C)c2ccccc21 12524023 RBLPFRSQCZMWQB-PDGQHHTCSA-N 295.357 4.320 30 40 CIEB CC1(C)OC(=O)Nc2ccc(-c3cccc(C#N)c3)cc21 13491405 HVXMMYUSBANZAI-UHFFFAOYSA-N 278.311 4.022 30 40 CIEB CCC(CC)[C@](O)(C#Cc1ccccc1)c1ccccc1 67319254 RJTLBKKVGPXVRC-HXUWFJFHSA-N 278.395 4.362 30 40 CIEB CCCCCC[C@@](C)(O)C#Cc1ccccc1CC 95632137 PZWTYUUJPDOBHQ-GOSISDBHSA-N 258.405 4.322 30 40 CIEB CC(C)n1c(C#N)cc(N)c1Sc1ccc(Cl)cc1 225888736 IQBVYTLMIGYTIS-UHFFFAOYSA-N 291.807 4.327 30 40 CIEB COc1ccc(/N=C/c2c(O)cc(C)c(Cl)c2C)cc1 226451 INVPJWYPXJPVHV-GIJQJNRQSA-N 289.762 4.422 30 40 CIEB C=CC[C@@H]1C=C(Cc2ccccc2)C[C@@H](CC=C)N1 4141401 PFOAIMHDKWUDIQ-QZTJIDSGSA-N 253.389 4.038 30 40 CIEB CN(C)c1ccc(/C=C/C(=O)c2ccc(Cl)s2)cc1 5333925 UKFBUUDVLQPDEA-VMPITWQZSA-N 291.803 4.364 30 40 CIEB CCCCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 5459740 MKRJGZVQGFWXFS-NSHDSACASA-N 290.432 4.263 30 40 CIEB OC1=N/C(=N\c2ccccc2)S/C1=C\c1cccs1 18208361 IJDVDZUKMOBGCV-XFXZXTDPSA-N 286.381 4.480 30 40 CIEB C/C=N\NC(=Nc1ccccc1)SCc1ccccc1 408723376 UEBLRXTVCWEPKC-LILWFEGDSA-N 283.400 4.203 30 40 CIEB N#CCCCCCC(=O)c1ccc(Br)cc1 2392783 NONHBHRZKLNZIN-UHFFFAOYSA-N 280.165 4.106 30 40 CIEB O=C1CCCC/C1=N\Nc1ccc(-c2ccccc2)cc1 4065909 JWRFOQADJBPSRD-LVZFUZTISA-N 278.355 4.265 30 40 CIEB Cc1cccc(C(=O)O/N=C2/C[C@@H]3CC[C@@]2(C)C3(C)C)c1 4577556 KXEOEKZAZBDEPB-XKZZHMLESA-N 285.387 4.354 30 40 CIEB CCOc1cccc(/C=N/[C@@H](C)c2ccc(F)cc2)c1O 5289837 RDGUVZIXSMZCOT-MKFNJMOCSA-N 287.334 4.110 30 40 CIEB CCCCCC(=O)Nc1sc2c(c1C#N)CCCC2 5308415 WAWOATMBLULURZ-UHFFFAOYSA-N 276.405 4.017 30 40 CIEB C/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 143998724 LBTBAOQFPSJOFP-IHWYPQMZSA-N 260.099 4.031 30 40 CIEB CCn1c(N/N=C(/C)c2ccc(C)cc2)nc2ccccc21 408692150 FLOHGJZHMXICHI-ZHZULCJRSA-N 292.386 4.201 30 40 CIEB CCOC(=O)[C@H](C#N)C1(Cc2ccc(C)cc2)CCCCC1 523549 BITICULAPVWRKE-KRWDZBQOSA-N 299.414 4.191 30 40 CIEB CCc1c(C)nc2c(C)cccc2c1SCCC#N 2335776 BLCJFMITZKDTAW-UHFFFAOYSA-N 270.401 4.420 30 40 CIEB CC(C)(C)c1ccc(NC(=O)c2ccc(C#N)cc2)cc1 2648915 GUIDRRJKPKHEEK-UHFFFAOYSA-N 278.355 4.108 30 40 CIEB CO[C@@H](C)c1ccccc1/C(C)=C1\Nc2ccccc2C1=O 17003419 SUZMIJDQPFEGDE-CYUIRQCWSA-N 293.366 4.433 30 40 CIEB CCOc1ccc(C(=O)/C=C/c2ccc(C)cc2)cc1 27518888 BLFNMJZPMMPOHK-MDWZMJQESA-N 266.340 4.290 30 40 CIEB C(=N/c1nc(-c2ccccc2)cs1)\c1ccco1 101670238 QXPJYRBRMJPEBY-OQLLNIDSSA-N 254.314 4.154 30 40 CIEB CC(C)Oc1ccccc1/C=C1\COc2ccccc2C1=O 3333839 WNYHYCWSDRKGEA-RVDMUPIBSA-N 294.350 4.133 30 40 CIEB C=CCOc1ccc2ccccc2c1CNC(C)(C)C 4670815 NEYCNEBXDBCTKK-UHFFFAOYSA-N 269.388 4.293 30 40 CIEB Clc1ccc(/C=N\N=C\c2ccc(Cl)cc2)cc1 8579382 FDHFFSOZYINJQR-BUOZRGFLSA-N 277.154 4.446 30 40 CIEB C=CCOc1cccc(NC(=O)Cc2ccc(C)c(C)c2)c1 10009822 AUMPHWHFPYLMBE-UHFFFAOYSA-N 295.382 4.049 30 40 CIEB CCNc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N 18156128 MTVHQXHKWKKDLG-UHFFFAOYSA-N 291.276 4.071 30 40 CIEB CC(C)=NNc1nc2c(C)cc(Cl)cc2s1 45954182 IRCQQZQQWHCGMB-UHFFFAOYSA-N 253.758 4.066 30 40 CIEB CCOc1ccc(C(=O)/C=C/Nc2ccc(C)cc2F)cc1 51318881 LRLGOIJYOIUMOM-ZHACJKMWSA-N 299.345 4.341 30 40 CIEB CCCCCCCC(=O)OCCCC[C@@H]1CCCO1 100295340 XBXIWKWSAQEVSA-OAHLLOKOSA-N 270.413 4.239 30 40 CIEB Cc1cc(N2CCCC2)ccc1/C=N\c1ccccc1O 408960694 NWUKLOBDTAFKRX-UYRXBGFRSA-N 280.371 4.051 30 40 CIEB CCCCOc1ccc(Oc2ccc(C#N)c(C#N)c2)cc1 1840412 HTAKIDXORGPNKA-UHFFFAOYSA-N 292.338 4.401 30 40 CIEB Cc1ccc(/C=C2\C(=O)[C@]3(C)CC[C@H]2C3(C)C)cc1 2008310 HEOCBCNFKCOKBX-LBONJMQPSA-N 254.373 4.404 30 40 CIEB fda C=CCn1c(C)c(/C=C/C2=CCN(C)CC2)c2ccccc21 4933135 APKMYWMUEYECGB-MDZDMXLPSA-N 292.426 4.411 30 40 CIEB C/C(=C\c1ccccc1)C(=O)C/C=N/c1ccccc1 79052083 VPSFCIKKOBHCJS-XYRSRPKXSA-N 263.340 4.452 30 40 CIEB O=[N+]([O-])c1cc(/C=N/c2cccc3ccccc23)ccc1O 408963364 NOCJPRLWHDLJDB-WOJGMQOQSA-N 292.294 4.204 30 40 CIEB Cc1ccc(/N=C/c2c(O)cc(C)c(Cl)c2C)c(O)c1 59433 FJLGPHPIDPNXCV-QGMBQPNBSA-N 289.762 4.427 30 40 CIEB Cc1ccc2nc(N/N=C\c3cccs3)sc2c1 5493462 CATQBWGBDRIKBR-ZSOIEALJSA-N 273.386 4.112 30 40 CIEB C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC(=O)O 257393698 CDFOVPVYHVWCGP-XJKCOSOUSA-N 250.382 4.260 30 40 CIEB biogenic,in-vitro O=C1C=Cn2cc(-c3ccccc3)c(-c3ccccc3)c21 1584278 YJFVWUAYZMPCSO-UHFFFAOYSA-N 271.319 4.489 30 40 CIEB Cc1ccc(C(=O)/C=C/c2cc3ccccc3o2)c(O)c1 4025033 BLTRGCUHBWMPKC-VQHVLOKHSA-N 278.307 4.343 30 40 CIEB biogenic C#CCCCCCCCCC(=O)Nc1ccccc1 4893724 UTIMOLVNMHEYIR-UHFFFAOYSA-N 257.377 4.379 30 40 CIEB N#Cc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1 6581242 ZGVXRCDOIDLLKU-UHFFFAOYSA-N 299.329 4.444 30 40 CIEB [O-]/[N+](=C\c1ccc(Cl)cc1)Cc1cccc(Cl)c1 12956832 VTBNNWMGFSHYIZ-MFOYZWKCSA-N 280.154 4.123 30 40 CIEB Fc1cccc(/N=C/c2cccn2-c2ccccc2)c1 59248377 YJSIOOPITLLFEN-CPNJWEJPSA-N 264.303 4.367 30 40 CIEB CCN(CC)c1ccc(/C=N/c2ccc(F)cc2)cc1 100011552 FLFSBDVEUBSBRL-CPNJWEJPSA-N 270.351 4.423 30 40 CIEB CC(C)/C(=N/Nc1nc2ccccc2[nH]1)c1ccccc1 408590851 QTAZODHEGSZEHJ-SILNSSARSA-N 278.359 4.035 30 40 CIEB CCOc1ccccc1/N=C\c1ccc(N2CCCC2)o1 408853706 QWMVXHFBEKKFEY-AQTBWJFISA-N 284.359 4.029 30 40 CIEB Cc1ccccc1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 283338 NSAILCPOJFZKAA-CXUHLZMHSA-N 274.707 4.307 30 40 CIEB C=Nc1ccc(-c2ccc(N=C)c(OC)c2)cc1OC 1669785 TZINWUVQQGWJHP-UHFFFAOYSA-N 268.316 4.035 30 40 CIEB N#C[C@@H](CCCOc1ccccc1)c1ccccc1 1696812 TXGNVJXQQUOOTE-MRXNPFEDSA-N 251.329 4.153 30 40 CIEB CCCCCCC(=O)/C=C/c1cccc([N+](=O)[O-])c1 5430561 UPBYAGXWSZFLMA-ZHACJKMWSA-N 261.321 4.148 30 40 CIEB CCCCCCC(=O)/C=C\c1ccc(OC)cc1OC 5648942 IKCWVBWTVXCHTH-LUAWRHEFSA-N 276.376 4.257 30 40 CIEB C=CCN(CC=C)Cn1c(=S)sc2ccccc21 19800671 ULYGKMLLNPMDMK-UHFFFAOYSA-N 276.430 4.064 30 40 CIEB CC[C@@H]1CCCCN1c1ccc(C#N)c(C(F)(F)F)c1 37083476 FROZJVLDDDEYSX-GFCCVEGCSA-N 282.309 4.346 30 40 CIEB CN(C)c1ccc(/C=N\c2cccc(Cl)c2)cc1 86053382 JUODSVJHIZUYRX-BOPFTXTBSA-N 258.752 4.157 30 40 CIEB C=CC[C@@](C)(NCc1ccccc1)c1ccccc1 1187546 RYFWJRLOQFKDHD-GOSISDBHSA-N 251.373 4.268 30 40 CIEB Cc1nc2cc(/N=C/c3ccccc3O)ccc2s1 3121921 LQQMJKWUGOYNKX-CXUHLZMHSA-N 268.341 4.061 30 40 CIEB CCC[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 7265375 MCBGVLPMCOPEQK-KRWDZBQOSA-N 278.355 4.081 30 40 CIEB C=CCNC(=O)c1ccc(-c2c(Cl)cccc2Cl)o1 11692930 MUJPOAPPAXBRGP-UHFFFAOYSA-N 296.153 4.169 30 40 CIEB COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)c(OC)c1 28913107 PYYBMBGXPCUFHZ-JXMROGBWSA-N 296.366 4.217 30 40 CIEB Cc1ccccc1SC1=CC(=O)c2ccccc2C1=O 255188505 KGCAJBAXYRLDII-UHFFFAOYSA-N 280.348 4.050 30 40 CIEB COc1cccc(/N=C/c2ccc(Cl)s2)c1 408966544 NCUNLYQJSGIIKG-RIYZIHGNSA-N 251.738 4.161 30 40 CIEB C=CCCC(=O)c1ccc(OC(F)(F)C(F)F)cc1 575360386 CNTHAWBLSIVYAY-UHFFFAOYSA-N 276.229 4.072 30 40 CIEB Cc1cncc(CN=C(c2ccccc2)c2ccccc2)c1 2540771 OLHGFKBDIWJREB-UHFFFAOYSA-N 286.378 4.428 30 40 CIEB COc1ccc2cc(/C=N/[C@@H](C)c3ccncc3)ccc2c1 12517473 PTUPWHWYGKBIJY-HADWXUJASA-N 290.366 4.424 30 40 CIEB Cc1cc(C)c(/C=C/C(=O)Nc2sccc2C#N)cc1C 31683408 PRUAHTPSYWFSOV-SNAWJCMRSA-N 296.395 4.197 30 40 CIEB N#CCCSc1ncnc2sc(-c3ccccc3)cc12 31944445 RTJBEDKFNCWOEX-UHFFFAOYSA-N 297.408 4.364 30 40 CIEB CCCCCCCCCCCCCC[C@H](O)CN 43285050 QJARJRBYFJRFGX-INIZCTEOSA-N 257.462 4.397 30 40 CIEB COc1cccc(-c2cc(C(F)F)c(C#N)c(=S)[nH]2)c1 19853608 COZLRCBMTRFKPQ-UHFFFAOYSA-N 292.310 4.229 30 40 CIEB Cc1ccc(-c2nc(N)c(C#N)c(-c3ccco3)c2C)cc1 20267101 BPXLAEMCCQOMNG-UHFFFAOYSA-N 289.338 4.079 30 40 CIEB c1ccc2c(c1)CCCC/C2=N/Nc1nc2ccccc2[nH]1 35104129 COWTZVZOVPBTGY-QNGOZBTKSA-N 290.370 4.106 30 40 CIEB CCCCCC[C@](C)(O)C#Cc1cc(F)ccc1C 95632414 UAMKHBHDZQMJSJ-KRWDZBQOSA-N 262.368 4.207 30 40 CIEB Cc1ccc(O)c(C(=O)/C=C/c2ccccc2Cl)c1 4279036 CMDBUDPHAZHHJK-VQHVLOKHSA-N 272.731 4.250 30 40 CIEB O=C(/C=C/c1ccccc1)c1sccc1Br 90624625 VJPLWZLTXXERIR-VOTSOKGWSA-N 293.185 4.407 30 40 CIEB CCCN1c2cc(OC)c(C#N)cc2[C@H](C)CC1(C)C 260719671 LMBQPZAJJWONAX-GFCCVEGCSA-N 272.392 4.069 30 40 CIEB CSc1ccc(/C=N/c2cccc([N+](=O)[O-])c2)cc1 65457 TYEOUWOQHDRYDM-XNTDXEJSSA-N 272.329 4.067 30 40 CIEB C=CC[C@](CNC(C)=O)(C1=CCCCC1)c1ccccc1 1716783 BOEVUIXWCGSIBN-LJQANCHMSA-N 283.415 4.137 30 40 CIEB C=CCOc1ccc(CNc2ccc(C)cc2)cc1OC 6332107 JGDQBEGBWFVNPC-UHFFFAOYSA-N 283.371 4.181 30 40 CIEB O=C(/C=C/c1cc(Br)cs1)c1ccccc1 13140769 YWHJTHSVGZWXKW-VOTSOKGWSA-N 293.185 4.407 30 40 CIEB C[C@H](S/C(=N\C#N)Nc1ccccc1)c1ccccc1 13563513 USIHRUMRXONVRV-ZDUSSCGKSA-N 281.384 4.430 30 40 CIEB C=CCOc1ccc(CNc2cc(C)ccc2C)cc1 22154133 QXSHQSKMHUGNBP-UHFFFAOYSA-N 267.372 4.480 30 40 CIEB C=C(Br)Cc1cccc(O[C@H]2CCCCO2)c1 85650725 KLWJSMBKFMWXJZ-AWEZNQCLSA-N 297.192 4.043 30 40 CIEB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC/C(=N/O)[C@@]3(C)CC[C@@H]21 102318264 UPFPBOLHKZHRQR-ZECYMRTNSA-N 299.414 4.382 30 40 CIEB CCCCCCCC(=O)Nc1cc(OC)ccc1C 102993406 ROXZAQUTSUTWTH-UHFFFAOYSA-N 263.381 4.303 30 40 CIEB N#Cc1nc(-c2ccccn2)c2c(c1-c1ccccc1)CCC2 352319 LQDLRMPPNGAXDV-UHFFFAOYSA-N 297.361 4.171 30 40 CIEB Cc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2C)s1 18116139 JUOZCJZOTRGXMB-RIYZIHGNSA-N 260.318 4.024 30 40 CIEB CC[C@@H](C)C[C@@](C)(O)C#Cc1ccc(Cl)cc1C 95633409 YTERWNQETMVFDX-WBMJQRKESA-N 264.796 4.187 30 40 CIEB CC(C)(C)c1ccc(C(=O)/C=C/c2cccnc2)cc1 7587155 LCZVHDCNKJZMSM-IZZDOVSWSA-N 265.356 4.275 30 40 CIEB CCc1ccc(C(=O)/C=C/c2ccc(NC(C)=O)cc2)cc1 8322480 QDNUAGBCWXJFNA-MDWZMJQESA-N 293.366 4.104 30 40 CIEB C#CCOc1ccc(/C=N/c2cc(C)ccc2C)cc1 8368095 VTGODWMIXVECMT-CPNJWEJPSA-N 263.340 4.066 30 40 CIEB O/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 20435894 MDEHSWABEBQZON-MKMNVTDBSA-N 256.088 4.062 30 40 CIEB O=C(/C=C/c1ccc2ccccc2c1)c1cscn1 95455292 ZJRCHWQAGBLKAJ-SOFGYWHQSA-N 265.337 4.192 30 40 CIEB CCCCCc1c(N)cc(C#N)n1Cc1ccccc1C 225855692 QWCUCHBVHWQFIK-UHFFFAOYSA-N 281.403 4.031 30 40 CIEB O=[N+]([O-])c1ccc(/N=C/c2ccc3ccccc3c2)cc1 4616891 PWJLAOZOLXSXHD-LDADJPATSA-N 276.295 4.499 30 40 CIEB COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1O 6337802 NYXXFAUGZRAGEP-ONNFQVAWSA-N 296.366 4.420 30 40 CIEB C/C(=N\OCc1ccccc1C#N)c1cc2ccccc2o1 7140971 ZSOWGVTYURXFSS-DEDYPNTBSA-N 290.322 4.245 30 40 CIEB N#Cc1ccc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1 97949892 NDULWPFDYLWYPE-UHFFFAOYSA-N 289.125 4.231 30 40 CIEB CCNc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 216781052 JHLIHSLUQAYXLZ-SNVBAGLBSA-N 262.422 4.203 30 40 CIEB CC(C)c1ccc(C(=O)n2cc(C#N)c3ccccc32)cc1 226361419 ZWEGHKKRXJHGLX-UHFFFAOYSA-N 288.350 4.325 30 40 CIEB CCCOc1ccc(N/C=C2/CCC[C@H](C)C2=O)cc1 409183699 SCZPNCSRVPZONE-BSHRGCEOSA-N 273.376 4.160 30 40 CIEB O/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 5027346 DNKJISDWVCAADD-MKMNVTDBSA-N 256.088 4.062 30 40 CIEB N#Cc1ccc(-c2csc(NC3CCCCC3)n2)cc1 21224844 VWCSUIDQLLCEBB-UHFFFAOYSA-N 283.400 4.426 30 40 CIEB C#CCOc1ccccc1CNc1cccc(Cl)c1C 22152756 NFCRGYHEEMRGBQ-UHFFFAOYSA-N 285.774 4.273 30 40 CIEB Fc1cc(-c2cc(F)c(F)c(F)c2F)c(F)c(F)c1F 80632417 KHSYDHMWELMAHM-UHFFFAOYSA-N 298.132 4.466 30 40 CIEB CC(C)Oc1c(Br)cc(C(C)(C)C)cc1C#N 225292413 NYICMPRBSITLBD-UHFFFAOYSA-N 296.208 4.405 30 40 CIEB CCCCc1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1 1958105 BKSPTZHOGOGJHQ-LDADJPATSA-N 298.342 4.394 30 40 CIEB O=C(/C=C/c1cccnc1)c1ccc2c3c(cccc13)CC2 12543943 WNKCFRVQCIAORG-IZZDOVSWSA-N 285.346 4.230 30 40 CIEB Cc1cc(C)cc(COc2ccc(/C=N/O)cc2Cl)c1 408938593 LCCVPXBIQUCDFJ-GIJQJNRQSA-N 289.762 4.344 30 40 CIEB C=C(Cl)CCc1ccc(F)c(Br)c1 710677282 CEWOFAVNJQIHNW-UHFFFAOYSA-N 263.537 4.273 30 40 CIEB C(=N\CC1CCC(C/N=C\c2ccco2)CC1)\c1ccco1 104131852 QEZUEECQANDDII-AXPXABNXSA-N 298.386 4.217 30 40 CIEB C=C(Br)CCc1ccc(F)c(Cl)c1 952958820 IZXDFCJCDAXAFN-UHFFFAOYSA-N 263.537 4.320 30 40 CIEB C(=N/N(Cc1ccccc1)Cc1ccccc1)\c1ccco1 289991 RESJANLRPGRKLB-XSFVSMFZSA-N 290.366 4.316 30 40 CIEB C=CCOc1ccc(/C=N/c2ccccc2)cc1OCC 6961109 SYLGELIXGXZYHE-XMHGGMMESA-N 281.355 4.401 30 40 CIEB N#Cc1ccc2oc(-c3ccccc3Br)nc2c1 216791655 FHYADRPMCMGEHS-UHFFFAOYSA-N 299.127 4.129 30 40 CIEB ClC(=Nc1cccnc1)c1ccc(Cl)cc1 255003872 DHEKXXUZOAWMDP-UHFFFAOYSA-N 251.116 4.052 30 40 CIEB Fc1cc(/C=N/c2ccccc2)ccc1N1CCCC1 409097169 LOJRNLJFPCUODE-CPNJWEJPSA-N 268.335 4.177 30 40 CIEB CCCCCCCCNC(=O)c1cc(Cl)ccc1OC 2101144 RVDHLNAGQLJDHE-UHFFFAOYSA-N 297.826 4.439 30 40 CIEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N/OC(=O)c1ccc(F)cc1)C2 100098216 PQAMVPPCXDLVCM-MHAIZMEMSA-N 289.350 4.185 30 40 CIEB O=C(/C=C/Nc1ccccc1O)c1cccc2ccccc12 409178410 HKTUNCHTDYCNBC-OUKQBFOZSA-N 289.334 4.354 30 40 CIEB COc1cccc(/C=N/c2cccc(Cl)c2Cl)c1O 58401 JQNKIWZDDSYOBQ-CAOOACKPSA-N 296.153 4.458 30 40 CIEB Fc1ccc(N/N=C/c2ccccc2OC(F)F)c(F)c1 4919241 RMFFKNABAYUICC-UFWORHAWSA-N 298.239 4.012 30 40 CIEB CC(C)C[C@H](NC(=O)c1cccc(C#N)c1)c1ccccc1 7037043 YBKBQCFLGZMIAW-SFHVURJKSA-N 292.382 4.075 30 40 CIEB Cn1c(Cl)c(C(=O)/C=C/c2ccco2)c2ccccc21 96026281 YFLOKSHJBKIUFD-CMDGGOBGSA-N 285.730 4.321 30 40 CIEB CCCCCCCNCc1ccc(SC)cc1 102565131 AQNYCLMFDXZUNV-UHFFFAOYSA-N 251.439 4.469 30 40 CIEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccccc2O)C1 408563983 TZIZIBVBWHVZNW-FNDVETGQSA-N 287.403 4.493 30 40 CIEB N#Cc1c(-c2cccc3ccccc23)c2c([nH]c1=N)CCCC2 408977438 DJLGPYXKSGLMQA-UHFFFAOYSA-N 299.377 4.065 30 40 CIEB CC(C)=CC(=O)c1cccc(OC(F)(F)C(F)F)c1 575360588 JIFFCYGNRHJXEI-UHFFFAOYSA-N 276.229 4.072 30 40 CIEB Oc1ccccc1/C=N/Nc1ccnc2cc(Cl)ccc12 5930539 ZCVIBKBIDXHWJL-VXLYETTFSA-N 297.745 4.040 30 40 CIEB CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(Cl)cc2)c1 6341112 CBGXEDDNNYMSMM-JXMROGBWSA-N 299.757 4.195 30 40 CIEB CSc1ccc(/C=C/C(=O)c2ccccc2O)cc1 28713570 ILBUFDBWHFQAKZ-DHZHZOJOSA-N 270.353 4.010 30 40 CIEB CCCCCCCCCCCC(=O)OCCOC 100302690 IPVODXIAEDUZIY-UHFFFAOYSA-N 258.402 4.097 30 40 CIEB C/C(=C\C(=O)c1ccncc1)Nc1cc(C)ccc1Cl 408734512 WGZJNEKNEFVYQA-ZRDIBKRKSA-N 286.762 4.242 30 40 CIEB CCCCCCCC[P@@](=O)(CC(=O)O)c1ccccc1 3099518 FLUXWPQBGCCZTL-HXUWFJFHSA-N 296.347 4.120 30 40 CIEB CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(C#N)cc3c2C1 3792458 WDDZPZKGLZNGEH-MRXNPFEDSA-N 295.430 4.019 30 40 CIEB in-vitro N#Cc1ccc(COc2ccc3ccccc3c2C=O)cc1 14071962 GUBYLYCFKROSJN-UHFFFAOYSA-N 287.318 4.103 30 40 CIEB C=CCCC(=O)c1ccc(SC(F)(F)F)cc1 575360708 HBPBMQZWPBSOBU-UHFFFAOYSA-N 260.280 4.447 30 40 CIEB CCC[C@@H]1CCc2c(sc(NC(=O)OCC)c2C#N)C1 371932 WHEFQRIANOUFIG-SNVBAGLBSA-N 292.404 4.093 30 40 CIEB N#Cc1c(F)cccc1[C@@H](C#N)c1ccc(Cl)cc1 1400279 BLQXTEPFWJUPII-ZDUSSCGKSA-N 270.694 4.006 30 40 CIEB N#CC1(Nc2cccc(C(F)(F)F)c2)CCCCC1 1745286 LLCDSKSMRRGJQW-UHFFFAOYSA-N 268.282 4.344 30 40 CIEB CC(C)C1=CC(=O)C=C[C@@]1(C)C(Cl)(Cl)Cl 4958351 MSKKOCUALVAJKR-SNVBAGLBSA-N 267.583 4.084 30 40 CIEB CC(=O)/C(=C/c1ccc(Cl)cc1)C(=O)c1ccccc1 5601721 CJMPRSJVBRJNPI-WJDWOHSUSA-N 284.742 4.195 30 40 CIEB CC(C)Oc1ccccc1CSc1cc(C#N)ccn1 77557522 VZOPNHJRWIAFBG-UHFFFAOYSA-N 284.384 4.033 30 40 CIEB C#CCCCCN[C@@H](C)c1ccc(SC)c(F)c1 90398476 AVNWHYCCGCRIBG-LBPRGKRZSA-N 265.397 4.002 30 40 CIEB O=C1/C(=C/c2ccc3ccccc3c2)Cc2c(O)cccc21 96931954 LAEJVSNKMDETMW-LFIBNONCSA-N 286.330 4.368 30 40 CIEB C[C@@H](O)c1cccc(/N=C/c2c(O)ccc3ccccc23)c1 169482974 IPHJITFXVDRKEE-HMHKGCENSA-N 291.350 4.349 30 40 CIEB O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(F)cc2)c1 293702 QLHJXOVVYJWQQS-LZYBPNLTSA-N 278.670 4.138 30 40 CIEB CCCCCCCc1cc(O)c2c(C)cc(=O)oc2c1 2765705 WDQSLCXJCINJGS-UHFFFAOYSA-N 274.360 4.320 30 40 CIEB CCc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 6542766 KIBRCSNDQVKKBY-ZHACJKMWSA-N 281.311 4.053 30 40 CIEB Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc2c(c1)OCO2 17968543 MSSWKSMLJGXDPN-DJKKODMXSA-N 297.354 4.303 30 40 CIEB COc1ccccc1C(=O)/C=C/c1c(F)cccc1Cl 32147854 OXGROKJOUVTBHN-MDZDMXLPSA-N 290.721 4.384 30 40 CIEB C=CCOc1ccc(NC(=O)c2cc3ccccc3o2)cc1 408606620 LCWQOKCCZPFKNH-UHFFFAOYSA-N 293.322 4.250 30 40 CIEB CCc1cccc2c(C#N)cn(Cc3ccccc3)c12 409196271 VDVYAJLAVZOHAB-UHFFFAOYSA-N 260.340 4.124 30 40 CIEB N#Cc1cc2ccc3cc(C#N)cc4ccc(c1)c2c34 642881303 MAMVSIJNQCAFMC-UHFFFAOYSA-N 252.276 4.327 30 40 CIEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/OC(=O)c1ccc(F)cc1)C2 983758 PQAMVPPCXDLVCM-UJINQUNPSA-N 289.350 4.185 30 40 CIEB Oc1ccc2ccccc2c1/C=N/Nc1ccc(F)cc1F 4927236 HDZYVLLHFBGWST-KEBDBYFISA-N 298.292 4.270 30 40 CIEB COc1ccc2nc(/C=C/c3ccc(C#N)cc3)sc2c1 8322217 GRHUQWZWURZVFP-RMKNXTFCSA-N 292.363 4.347 30 40 CIEB N#Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 19198529 NPTVPTUPKKMOTB-UHFFFAOYSA-N 296.713 4.210 30 40 CIEB COc1ccc2c(c1)CC/C(=C\c1ccc(F)cc1)C2=O 4709452 IUKMHNGSODTMIV-GXDHUFHOSA-N 282.314 4.047 30 40 CIEB Clc1ccc(Cl)c(/C=N\N2CCCCCC2)c1 4897132 WRWSPBQORASXPM-YBEGLDIGSA-N 271.191 4.203 30 40 CIEB O=C(/C=C/c1ccc(F)cc1)c1cccc(Cl)c1 6340567 AUWSWIHGQVJIKX-RMKNXTFCSA-N 260.695 4.375 30 40 CIEB CCOc1ccc(/N=C/c2ccnc3ccccc23)cc1 17194719 HNKJPQCVXNNDLM-DEDYPNTBSA-N 276.339 4.384 30 40 CIEB CC(=O)[C@@H]1CC=C2[C@H]3CCC4=CC(=O)C[C@@]4(C)[C@@H]3CC[C@@]21C 33646618 HXWUFSAWLIMZRZ-QQXMDYFESA-N 298.426 4.254 30 40 CIEB FC(F)(F)Oc1ccc(/N=C/c2cccs2)cc1 100409028 DGJXLNVMLCQDAE-LZYBPNLTSA-N 271.263 4.397 30 40 CIEB C=CCOc1ccc(C(=O)N[C@H](C)c2ccc(C)cc2)cc1 113955584 MNQUBXSXEYLDAF-OAHLLOKOSA-N 295.382 4.051 30 40 CIEB CC[C@@H](C)n1c(C#N)ccc1CCc1ccccc1 226028477 WOLSTPKIRPMLCX-CQSZACIVSA-N 252.361 4.116 30 40 CIEB N#Cc1c(/C=C/c2ccccc2)c(-c2ccccc2)c[nH]c1=N 408982007 XFIWRVVIKUIBDH-VAWYXSNFSA-N 297.361 4.203 30 40 CIEB C[C@H]1CCC/C(=C/Nc2ccc(Br)cc2)C1=O 409177788 HETUNOVOZCJMEN-RGAIUGGKSA-N 294.192 4.134 30 40 CIEB Oc1ccc2ccccc2c1/C=N/CCc1ccccc1 13552839 AXXRPBSYYXPGOL-XSFVSMFZSA-N 275.351 4.207 30 40 CIEB C=C(c1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 72208084 ALSMATZBCFHVHN-INIZCTEOSA-N 287.403 4.347 30 40 CIEB CC1(C)[C@H]2CC[C@@]1(C)C(=O)/C2=C\Nc1ccccc1 100367249 LBVBAIXYJUONAC-WFDCWPTHSA-N 255.361 4.008 30 40 CIEB Cc1ccc(Cl)cc1N/C=C1/CCC[C@@H](C)C1=O 409176777 XKQMTPDGLWLPEV-ZGSOTFDTSA-N 263.768 4.333 30 40 CIEB C=C(C)[C@@H]1CC[C@@]2(C)OC(=O)N(Cc3ccccc3)[C@@]12C 49515 XOTQEYORQKZSOE-JQHSSLGASA-N 285.387 4.142 30 40 CIEB C/C(=N\Nc1nc2ccccc2[nH]1)c1ccccc1Cl 5070700 YEAHTFXAYTWRNM-VXLYETTFSA-N 284.750 4.052 30 40 CIEB COc1ccc(O/C=C/C(=O)c2ccc(Cl)cc2)cc1 16217206 KHWJESRBQMNKLE-ZHACJKMWSA-N 288.730 4.124 30 40 CIEB COc1ccc2c(c1)CC/C(=C/c1cccc(F)c1)C2=O 214673 AYJKRJCNJJEKFF-ZROIWOOFSA-N 282.314 4.047 30 40 CIEB O=C(/C=C/c1ccc(F)cc1)c1ccc(F)c(F)c1 5127595 FOTHQDQMXHPTOK-FPYGCLRLSA-N 262.230 4.000 30 40 CIEB Cc1cccc(N/C=C2/CCC[C@@H](C)C2=O)c1Cl 409180221 XEAZDAISUIUHQE-ZGSOTFDTSA-N 263.768 4.333 30 40 CIEB CCOc1ccccc1/C=C1\CCc2ccccc2C1=O 1556928 AKCUAONAPYZDOB-DTQAZKPQSA-N 278.351 4.298 30 40 CIEB COc1ccc(C(=O)/C=C/c2cc3ccccc3o2)c(O)c1 4026790 ZILNHPZZDNCXCW-VQHVLOKHSA-N 294.306 4.043 30 40 CIEB biogenic C/C(=C/c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 4783061 KLGXYPKWBPUKIR-XFXZXTDPSA-N 296.757 4.254 30 40 CIEB C=CCOc1ccc(NC(=O)CCc2ccc(C)cc2)cc1 10324913 ZECBDHJXLCVQRR-UHFFFAOYSA-N 295.382 4.131 30 40 CIEB Clc1ccc(/C=N/Cc2ccco2)c(Cl)c1 27795469 IXSSKWZKYWFWJU-VIZOYTHASA-N 254.116 4.206 30 40 CIEB O=C1/C(=C/c2cccc3ccccc23)COc2ccccc21 984767 GEYQQGXTDMALKG-FOWTUZBSSA-N 286.330 4.499 30 40 CIEB C=CCSc1ncc(-c2cccc(C(F)(F)F)c2)cn1 3134279 AZNXMZUSJSERBV-UHFFFAOYSA-N 296.317 4.441 30 40 CIEB N#Cc1ccc([C@@H]2Nc3ccccc3[C@H]3OCCC[C@@H]32)cc1 4623702 QHVDONLMIINFHQ-NZSAHSFTSA-N 290.366 4.193 30 40 CIEB CC(C)(C)C(=O)Nc1ccc(C(=O)/C=C/c2ccco2)cc1 4852260 GJMZDQDKAWAZQJ-ZHACJKMWSA-N 297.354 4.160 30 40 CIEB Oc1ccccc1/C=N/c1ccc(C(F)(F)F)cc1 16918409 GTJJEUWREOQQJC-GIJQJNRQSA-N 265.234 4.162 30 40 CIEB CS(C)=N/C(=N\c1ccc(Cl)cc1)c1ccccc1 17109370 XURXCLBRCFERKZ-ICFOKQHNSA-N 290.819 4.480 30 40 CIEB Cc1ccc(NC(=O)Nc2sc3c(c2C#N)CCC3)cc1 28228097 CJEXNMXPBLUUJB-UHFFFAOYSA-N 297.383 4.061 30 40 CIEB O/N=C/c1ccccc1OCc1cccc2ccccc12 103858495 KTSFMOCIOJGCPA-XDHOZWIPSA-N 277.323 4.227 30 40 CIEB Cc1ccc(Cl)cc1/N=C/c1cc(C)n(C)c1C 408771377 GFTIDIHZWMDHCJ-RQZCQDPDSA-N 260.768 4.354 30 40 CIEB Cc1ccc(/N=C/c2ccc(N3CCCC3)c(F)c2)cc1 409108116 VBPPRLLCRXVSHS-DEDYPNTBSA-N 282.362 4.485 30 40 CIEB N#Cc1cccc(/N=C/c2cc(Cl)cc(Cl)c2O)c1 136723 DWNXUPMINGGZKV-QGMBQPNBSA-N 291.137 4.321 30 40 CIEB C=CCNc1ncnc2scc(-c3ccc(F)cc3)c12 2640344 LOMHAGFULNFSPT-UHFFFAOYSA-N 285.347 4.095 30 40 CIEB CCOc1cccc(/C=N/c2ccc(C)c(C)c2)c1O 5273527 WURXPCMJRSNZMO-WOJGMQOQSA-N 269.344 4.158 30 40 CIEB CCCc1ccc(/C=N/NCc2ccccc2Cl)o1 8812030 BMOXLZUMGGCKJC-WOJGMQOQSA-N 276.767 4.009 30 40 CIEB C=CCOc1ccc(CNc2ccccc2CC)cc1 21510344 UNJNEWHDCQIHMU-UHFFFAOYSA-N 267.372 4.426 30 40 CIEB C/C(=C\C(=O)c1cccnc1)Nc1ccccc1C(C)C 32100668 LUWBWUXNFNREPC-SDNWHVSQSA-N 280.371 4.404 30 40 CIEB CC(C)(C)Oc1ccc(C#Cc2ccccc2)cc1 95631425 AVQXDMQBBOGJSA-UHFFFAOYSA-N 250.341 4.264 30 40 CIEB Cc1ccccc1/N=C/C=C/c1ccc([N+](=O)[O-])cc1 103751363 VNVKHBXBYCACOA-XZXLCCGISA-N 266.300 4.319 30 40 CIEB C=C[C@@]1(C)CC[C@@H]2[C@H](O1)c1ccccc1OC2(C)C 519528 WNGKNBXEGIYGPF-UNEWFSDZSA-N 258.361 4.270 30 40 CIEB C[C@@H](/N=C/c1ccccc1)[C@@H](C)/N=C/c1ccccc1 2305683 SRGCDOZVOIUMMF-XYGGEOSRSA-N 264.372 4.002 30 40 CIEB CCCc1ccc(/N=C/c2ccc(OC)cc2)cc1 4281052 RLHYWQSMJNSUQS-QGOAFFKASA-N 253.345 4.398 30 40 CIEB CCc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1N 34031526 FQPRLZDVXVSBBL-UHFFFAOYSA-N 289.194 4.121 30 40 CIEB N#CCCCCSCc1ccc(F)c2cccnc12 95419515 LECBWKBNOBHCCS-UHFFFAOYSA-N 274.364 4.301 30 40 CIEB C#CCOc1ccc(CNc2ccc(C)cc2)cc1OCC 409113846 FZKGVNSOSWGVBJ-UHFFFAOYSA-N 295.382 4.018 30 40 CIEB COc1cccc(/C=N/c2cc(Cl)cc(Cl)c2)c1O 65322 SGMJIOFXNKOELP-CAOOACKPSA-N 296.153 4.458 30 40 CIEB C=C/C=C/C(C(F)(F)F)(C(F)(F)F)C(F)(F)F 2530938 NRFBLIGDSNBZBX-ONEGZZNKSA-N 272.110 4.402 30 40 CIEB CCc1c(C)sc(NC(=O)Oc2ccccc2)c1C#N 2744831 OIBIGEFPDGEHII-UHFFFAOYSA-N 286.356 4.102 30 40 CIEB CCCSc1nc2ccc(OCC)cc2cc1C#N 4994012 LWZGBOUOZXXJBW-UHFFFAOYSA-N 272.373 4.007 30 40 CIEB COc1cc(/C=N/c2ccccc2)cc(Cl)c1OC 8110010 UAQSAVVCRVNOQX-LICLKQGHSA-N 275.735 4.108 30 40 CIEB C=CCOc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 8554736 DTLPVTLRXKNVLL-LFYBBSHMSA-N 297.329 4.042 30 40 CIEB C=C(C)COc1cc(/C=N/CCCC)c(C)cc1C 17887228 ZQWHQUOCEFYHMF-WOJGMQOQSA-N 259.393 4.477 30 40 CIEB CCCCNc1oc(/C=C/c2ccc(F)cc2)nc1C#N 20446560 IWJBAXCGVKGCJF-RMKNXTFCSA-N 285.322 4.068 30 40 CIEB CCCC[C@H](CC)[C@@H](O)C#Cc1cc(F)c(F)c(F)c1 95632737 XSRMFDDISMCBNM-WFASDCNBSA-N 284.321 4.033 30 40 CIEB CC1=Nc2ccccc2/C1=N\Nc1ccc(Cl)cc1 102949677 SIASKVBSQJMLDG-CYVLTUHYSA-N 269.735 4.262 30 40 CIEB N#Cc1c(Cl)nnc(-c2ccccc2)c1-c1ccccc1 1106193 KYILDXBCZYCVIN-UHFFFAOYSA-N 291.741 4.336 30 40 CIEB C=CCCCCCCCCC1OCC(CC)([N+](=O)[O-])CO1 4429322 GLRLOPXBFGWKAD-UHFFFAOYSA-N 299.411 4.092 30 40 CIEB O/N=C(/c1ccccc1)c1ccc2c3c(cccc13)CC2 8628520 HAPFSTJNKFIFJF-VXPUYCOJSA-N 273.335 4.165 30 40 CIEB CCn1c2ccccc2c2cc(/C(C)=N/O)ccc21 13136932 ZZROCLXZUPWPLB-GZTJUZNOSA-N 252.317 4.013 30 40 CIEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\OC(=O)c1ccc(F)cc1)C2 13152477 PQAMVPPCXDLVCM-DVHZECOWSA-N 289.350 4.185 30 40 CIEB Cc1ccc(/N=C2\CCCN2c2ccccc2)c(C#N)c1 16671627 DLBZJHDNVRJKHZ-CZIZESTLSA-N 275.355 4.197 30 40 CIEB CN(C)CCC(/C=C\c1ccccc1)=N/Nc1ccccc1 17194729 DLRHMSSHHRHVEG-LFJSLNKLSA-N 293.414 4.120 30 40 CIEB C/C(=N\Nc1nc2ccccc2s1)c1cccc(F)c1 20927153 MLRZTHJDERRTIM-VCHYOVAHSA-N 285.347 4.272 30 40 CIEB CCCCCC[C@@](C)(O)C#Cc1ccc(C)c(F)c1 95633717 KAJALYASOVZYQX-QGZVFWFLSA-N 262.368 4.207 30 40 CIEB CSc1ccc(/N=C\c2ccc(N(C)C)cc2)cc1 104224985 GRMXJEYHXLKFJH-ATVHPVEESA-N 270.401 4.225 30 40 CIEB C/C(=C\C(=O)c1ccc(C)o1)Nc1ccccc1C 409349888 RVPURECSQGVPNE-ZRDIBKRKSA-N 255.317 4.095 30 40 CIEB CCC(=O)Nc1ccc(/N=C/c2ccc(C)cc2)cc1 361304 PQQPVERDUOATOF-LDADJPATSA-N 266.344 4.094 30 40 CIEB Cc1ccc(/N=C/c2ccc(N(C)C)cc2)cc1Cl 2160259 SMYMWAKHEINVMW-WOJGMQOQSA-N 272.779 4.465 30 40 CIEB CCN(CC)/C(=C/C(=O)c1ccccc1)c1ccccc1 4692018 QXOJMPODVWIILO-OBGWFSINSA-N 279.383 4.252 30 40 CIEB Oc1cccc(/C=N\N=C2c3ccccc3-c3ccccc32)c1 16921019 HJJIMFQJQQOUHR-BKUYFWCQSA-N 298.345 4.244 30 40 CIEB C=C1CCC(NC(=O)NCc2cccc3ccccc23)CC1 1775966826 DHOLCJSWKXZVQG-UHFFFAOYSA-N 294.398 4.138 30 40 CIEB N#Cc1ccccc1/N=C/c1c(O)ccc2ccccc12 46274 YUIYFCPUVIASRH-UDWIEESQSA-N 272.307 4.168 30 40 CIEB CCOC(=O)Nc1ccc(C(=O)/C=C\c2ccccc2)cc1 4769176 VOVUAZLJXBOTCE-JYRVWZFOSA-N 295.338 4.151 30 40 CIEB c1ccc(/N=C2\Oc3ccccc3[C@@H]3SCCCN23)cc1 4967427 GUYSTWASCOATJS-QCPHZMBFSA-N 296.395 4.204 30 40 CIEB CSc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2C)cc1 5540218 UDIDEYABQWKIFM-MHWRWJLKSA-N 286.356 4.376 30 40 CIEB Cc1cc(O)c(C(C)C)cc1/N=C/c1ccccc1O 22910942 HYTXEOFJVZEFSX-VCHYOVAHSA-N 269.344 4.280 30 40 CIEB in-vitro CCCCCCCCCCCC[S@](=O)CCC(=O)O 100019023 CTLRMORKQMVCKP-LJQANCHMSA-N 290.469 4.131 30 40 CIEB CCCCCCCCOc1ccc(C(=O)O)cc1OC 104642878 XECJRWVHAGRMMR-UHFFFAOYSA-N 280.364 4.133 30 40 CIEB Cc1cc(C)cc(/N=C/c2ccc(N(C)C)cc2)c1 65844 FBSJFYRZYZZZGH-LDADJPATSA-N 252.361 4.120 30 40 CIEB O=C1C(=Cc2ccc3ccccc3c2)C(=O)c2ccccc21 5128362 XEOJVHGKDJEGRG-UHFFFAOYSA-N 284.314 4.302 30 40 CIEB C=C[C@@H](O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 5379844 XCZLDKLVCNBMMY-CQSZACIVSA-N 262.393 4.207 30 40 CIEB Clc1ccc(/C=N/N=C\c2ccco2)cc1Cl 8637393 JYKFHHBYHBJJEX-AUYDJSIHSA-N 267.115 4.039 30 40 CIEB CN/C(=N\c1ccc(Cl)cc1)c1ccc(Cl)cc1 50077915 CZXXVANBDOMCMR-UHFFFAOYSA-N 279.170 4.291 30 40 CIEB CCCCC[C@@H](O)C#Cc1ccc(C(C)(C)C)cc1 95631486 QMZYPQKHGOZKSA-QGZVFWFLSA-N 258.405 4.277 30 40 CIEB Cc1cc(Oc2ccc(C#N)c(C#N)c2)ccc1Cl 482186 IVJQOXWYWWOYCP-UHFFFAOYSA-N 268.703 4.184 30 40 CIEB C=CCOc1c(CCC)cc(CN(C)C)cc1CCC 1670322 ZHKFWQHPXQDYHB-UHFFFAOYSA-N 275.436 4.218 30 40 CIEB O=C1CCCC/C1=C/Nc1ccc(C(F)(F)F)cc1 4235500 MWXBHRJYUXMPOJ-KTKRTIGZSA-N 269.266 4.144 30 40 CIEB O=C(/C(Br)=C/c1ccccc1)c1ccccc1 4769321 KRLKFHWRCHJJGA-KAMYIIQDSA-N 287.156 4.305 30 40 CIEB C=CCOc1ccc(/C=N/c2cccc(Cl)c2)c(O)c1 18203265 XMYFBSKMPLZPFZ-WOJGMQOQSA-N 287.746 4.361 30 40 CIEB COc1ccc([C@H](C)/N=C/c2cc(Cl)ccc2O)cc1 44835626 FGETWIHJNMNQEA-HPAYWCODSA-N 289.762 4.234 30 40 CIEB Oc1ccc2ccccc2c1C=Nc1ccc2c(c1)OCO2 254524108 LHLSHDHXGWXKME-UHFFFAOYSA-N 291.306 4.025 30 40 CIEB N#Cc1ccc(-c2ccc(/C=N\c3ccccc3O)o2)cc1 409018149 SOVYOAYBIQEMQH-NDENLUEZSA-N 288.306 4.274 30 40 CIEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc2ccccc12 620316874 JCQLMEJEXQWVQY-HDICACEKSA-N 291.394 4.092 30 40 CIEB C=C(Br)Cc1ccc(OC(F)(F)F)cc1 1848444286 ZEZWBDHAKAEHHH-UHFFFAOYSA-N 281.071 4.036 30 40 CIEB CCCCCCCCCCOC(=O)c1ccccn1 1587739 QFLVNAYJXQHCRZ-UHFFFAOYSA-N 263.381 4.379 30 40 CIEB Cc1ccc(/N=C/c2cc(C)c(O)c(C)c2)cc1C 6301169 VFRKLMRHFKLKDP-VCHYOVAHSA-N 253.345 4.376 30 40 CIEB C#CCn1c([C@H](CC)Oc2ccccc2)nc2ccccc21 9184751 ZTIUYCFNTDQQIP-SFHVURJKSA-N 290.366 4.200 30 40 CIEB Cc1cc(O)cc2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 11865319 SGDHFYQEWFSRTO-SXGWCWSVSA-N 292.290 4.063 30 40 CIEB biogenic Cc1cccc(/N=C/C(=C\Nc2cccc(C)c2)[N+](=O)[O-])c1 13635669 FKBDQGIAIYISIH-UCXDMDGBSA-N 295.342 4.236 30 40 CIEB COc1ccc(Cl)cc1/C=C/C=N/c1ccccc1O 16920265 IUJOKMCEJJMNGO-NBGMOQMUSA-N 287.746 4.470 30 40 CIEB Cc1sc(NC(=O)Nc2ccc(F)cc2)c(C#N)c1C 24565897 BXNSONBSJRWXBX-UHFFFAOYSA-N 289.335 4.020 30 40 CIEB Cc1cc(C)c(/C=C\C(=O)c2ccc(Cl)cc2)[nH]1 33380919 ULIJCJZXTGRXCH-FPLPWBNLSA-N 259.736 4.181 30 40 CIEB N#Cc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 49865840 WBARPCKSBBFXMH-UHFFFAOYSA-N 271.625 4.490 30 40 CIEB Cc1cc(C)cc(N/N=C2\C(O)=Nc3ccc(Cl)cc32)c1 58674408 WZULWKGWMDSHNO-UHFFFAOYSA-N 299.761 4.375 30 40 CIEB COc1cccc(/C=N\C2CCCCC2)c1OC(C)C 409012126 JFSRDAYJWKHSGR-PDGQHHTCSA-N 275.392 4.234 30 40 CIEB C[C@H]1CCC/C(=C/Nc2ccc(F)c(Cl)c2)C1=O 409179506 RTXDYAZPMKYPDG-CUQRQBARSA-N 267.731 4.164 30 40 CIEB C=C[C@](C)(CCC=C(C)C)OC(=O)Cc1ccccc1 1697406 RROUXOOIXJRTOM-GOSISDBHSA-N 272.388 4.463 30 40 CIEB endogenous,in-man N#Cc1ccc(C2Nc3cccc4cccc(c34)N2)cc1 2178938 DITZKLXCRJFWGZ-UHFFFAOYSA-N 271.323 4.248 30 40 CIEB C=CCNC(=O)c1sc2cccc(Cl)c2c1Cl 2770382 PGSWCRJKVWZFPZ-UHFFFAOYSA-N 286.183 4.124 30 40 CIEB C[S+]1CCC(OC(c2ccccc2)c2ccccc2)CC1 4146710 WFYAACXZPZYDJY-UHFFFAOYSA-N 299.459 4.203 30 40 CIEB CCOP(=O)(OCC)O/N=C(/c1ccccc1)C(C)C 4963927 KIFSAHNRILOFLT-CCEZHUSRSA-N 299.307 4.244 30 40 CIEB CC(C)(C)c1ccc([C@H](OC[C@H]2CO2)C(F)(F)F)cc1 95096051 VIGKPLYJWOOPRX-OLZOCXBDSA-N 288.309 4.003 30 40 CIEB C(#Cc1cccc(C#Cc2ccccc2)c1)c1ccccc1 95582024 OYEDTTNTNYKSFX-UHFFFAOYSA-N 278.354 4.486 30 40 CIEB CC1(C)C[C@@]2(C)C[C@](O)(C1)[C@]13CCC(C)(C)C[C@]1(C2)O3 102452884 UFSXGZYPTCAWHX-BSDSXHPESA-N 278.436 4.056 30 40 CIEB CCCOc1ccc(C=Nc2ccc(C#N)cc2)cc1 256124578 ROGWUXDKBOSBQV-UHFFFAOYSA-N 264.328 4.098 30 40 CIEB CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]12C 263593609 BLGNCYFCLKRFPN-HAGHYFMRSA-N 296.410 4.174 30 40 CIEB Cc1ccc(/N=C\c2ccc(N3CCCC3)o2)c(C)c1 408854668 AXTSNNOQVMDIGR-PDGQHHTCSA-N 268.360 4.247 30 40 CIEB N#CC1(c2c(Br)ccc3ccccc23)CC1 575629309 PNFSHPJSLSMQOA-UHFFFAOYSA-N 272.145 4.157 30 40 CIEB N#Cc1ccsc1NC(=O)c1cccc(Cl)c1Cl 5938298 KVUSQDBOMFCARL-UHFFFAOYSA-N 297.166 4.179 30 40 CIEB CCOc1ccc(/C=N/c2ccc(C)cc2C)cc1OC 6964103 DBVJRGKEHAIHME-XDHOZWIPSA-N 283.371 4.461 30 40 CIEB CC(C)(C)Nc1oc([C@H]2C[C@@H]2c2ccccc2)nc1C#N 96346122 MIPLYSZSGJZZKX-OLZOCXBDSA-N 281.359 4.028 30 40 CIEB C=CCOc1ccc(NC(=S)Nc2ccc(C)cc2)cc1 225454722 UGUACHYPAXVDRR-UHFFFAOYSA-N 298.411 4.369 30 40 CIEB O=C(/C=C/Nc1cc(Cl)cc(Cl)c1)c1ccco1 409183361 RVJDXEDWAQKKBS-ONEGZZNKSA-N 282.126 4.395 30 40 CIEB COc1ccc(/C=C2/Sc3ccccc3C2=O)cc1OC 195408 KBGWHBAADBRVPN-MHWRWJLKSA-N 298.363 4.033 30 40 CIEB CC1(C)[C@H]2C=C/C(=N\Nc3ccccc3)[C@]1(C)CC2 4266979 BRWUQZIWYMVOHR-QLYAPRMXSA-N 254.377 4.467 30 40 CIEB Cc1ccccc1/N=C/c1ccc(N2CCCC2)cc1 18042429 LSGWKNFHVZHWFW-XMHGGMMESA-N 264.372 4.346 30 40 CIEB CN/C(=N/c1ccc(Cl)c(Cl)c1)c1ccccc1 25539672 WGQNOCXTTRTUIX-UHFFFAOYSA-N 279.170 4.291 30 40 CIEB O=C(/C=C/c1cnc(-c2ccccc2)s1)c1cccnc1 66255664 XTWLAEVUFJIFRD-CMDGGOBGSA-N 292.363 4.101 30 40 CIEB CCCCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1C 97960075 OSOYFJSMBLADAY-UHFFFAOYSA-N 278.352 4.202 30 40 CIEB Cc1ccc(F)cc1/N=C/c1cc(Cl)ccc1O 100037565 SDELAMNYLCFJAN-CAOOACKPSA-N 263.699 4.244 30 40 CIEB CCCN1c2cc(F)c(C#N)cc2C(C)=CC1(C)C 223792635 WFXNSHXKHUOBII-UHFFFAOYSA-N 258.340 4.109 30 40 CIEB COc1ccc(-c2c3c([nH]c(=S)c2C#N)CCCC3)cc1 50054 GEAYTMBRNRHJQO-UHFFFAOYSA-N 296.395 4.170 30 40 CIEB Cc1ccc(NC(=O)O/N=C/c2ccccc2Cl)cc1 315469 VAQVKNLKJHTBEJ-LICLKQGHSA-N 288.734 4.231 30 40 CIEB Oc1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)cc1 3149172 HCQKDCVQNQTTEE-FYJGNVAPSA-N 298.345 4.244 30 40 CIEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(F)c(F)c1)C2 4828378 BVOHBSSSTNPXAP-GTNSWQLSSA-N 291.341 4.286 30 40 CIEB Cc1cccc(/N=C/c2ccc(Br)o2)c1 5418244 LKXJGWQGTRVNEF-RIYZIHGNSA-N 264.122 4.101 30 40 CIEB Clc1ccc(/C=N/NCc2ccccc2Cl)cc1 8811483 QTUYHSFKDDQNMQ-RQZCQDPDSA-N 279.170 4.117 30 40 CIEB Cc1cc(Oc2ccc(Cl)cc2)nc(Cl)c1C#N 12446185 LCWZQAIXDTWURG-UHFFFAOYSA-N 279.126 4.361 30 40 CIEB CCCCCCCCCCCCCNC[C@H](C)O 73371941 ZTORWOYKFDPZQI-INIZCTEOSA-N 257.462 4.268 30 40 CIEB CC/C(Cl)=N/OC(=O)Nc1ccc(C(C)C)cc1 100228728 KGXGIBGBLJSDEY-VBKFSLOCSA-N 268.744 4.321 30 40 CIEB CCCCCCCCOc1ccc(C(=O)COC)cc1 101106301 PUZHDLWFACFRNN-UHFFFAOYSA-N 278.392 4.255 30 40 CIEB CCCCCCCC(=O)O[C@@H](C)CC[C@@H]1CCCO1 104053413 WWOBNXKJYPLNNL-GJZGRUSLSA-N 270.413 4.238 30 40 CIEB Cc1cc(/C=N\c2ccccc2Br)c(C)n1C 408783610 NRBJWNRZGVCMPB-SXGWCWSVSA-N 291.192 4.155 30 40 CIEB C=C(Cl)CCc1ccc(Br)cc1F 710678461 JXCVEQXTMYFFCD-UHFFFAOYSA-N 263.537 4.273 30 40 CIEB Cc1ccc(O)c(/N=C/c2ccc(Br)s2)c1 46295 PNUAFVCAFLSUGV-VGOFMYFVSA-N 296.189 4.275 30 40 CIEB CCCCCCCCCCCC[n+]1ccc(N)cc1 3122294 JDGQYAUETBNXKG-UHFFFAOYSA-O 263.449 4.477 30 40 CIEB C[C@@H]1C[C@H](c2ccccc2F)N(c2cccc(F)c2C#N)C1 95403343 DBLMFJRXCWDNFK-KZULUSFZSA-N 298.336 4.424 30 40 CIEB N#Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 73383 QYVKFWLSZSMPLO-UHFFFAOYSA-N 292.121 4.084 30 40 CIEB N#C[C@H](CCCOc1ccccc1)c1ccccc1 2045251 TXGNVJXQQUOOTE-INIZCTEOSA-N 251.329 4.153 30 40 CIEB COc1ccc(/N=C\c2c(O)ccc3ccccc23)cc1 98044833 KIZFMCMRXXHNJT-UNOMPAQXSA-N 277.323 4.305 30 40 CIEB CCN(CC)c1ccc(/N=C/c2cc(C)n(C)c2C)cc1 408781484 SXAZICRZEPXAJI-CPNJWEJPSA-N 283.419 4.239 30 40 CIEB COc1ccccc1/N=C/c1ccc(Cl)s1 408964645 DYYHFLFFNPLLOT-RIYZIHGNSA-N 251.738 4.161 30 40 CIEB CCOc1ccc(Cl)cc1/C=N\c1ccccc1O 409093939 BVDZBHROQXQGNN-YVLHZVERSA-N 275.735 4.195 30 40 CIEB Cc1nc2c(c(-c3ccccc3)c1C#N)C(=O)c1ccccc1-2 204748 ABJAWCBRBJOZQR-UHFFFAOYSA-N 296.329 4.140 30 40 CIEB Clc1ccc(/C=N\N=C/c2ccco2)c(Cl)c1 8637375 CKJXBXRIJBSWIE-DUGOVBPYSA-N 267.115 4.039 30 40 CIEB CCC[C@H](C)/N=C(\S)Nc1cc(C)cc(C)c1 13684234 HISULPMDKAGBEQ-LBPRGKRZSA-N 250.411 4.190 30 40 CIEB C(=N/c1nccs1)\c1ccc(/C=N/c2nccs2)cc1 18156289 MWMRGTIKTBCZLF-BEQMOXJMSA-N 298.396 4.101 30 40 CIEB C=C(C)CN(CC)C(=O)Nc1ccc(C(F)(F)F)cc1 58314333 JXXUTXVWXDCDOE-UHFFFAOYSA-N 286.297 4.135 30 40 CIEB CCCCCCCCNCc1ccc(OC)cc1OC 100048623 INADFRUKRCPKFU-UHFFFAOYSA-N 279.424 4.154 30 40 CIEB CCCCCCCCn1c(C=O)nc2ccccc21 100837186 FSVYJSGKEKMMTH-UHFFFAOYSA-N 258.365 4.209 30 40 CIEB [O-][N+](=Cc1ccc(Cl)cc1Cl)c1ccccc1 104184892 HUEMILSYRIWOAB-UHFFFAOYSA-N 266.127 4.254 30 40 CIEB CC[C@@H]1/C(=N\O)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 105346358 KELKCHCDSYUMCO-GPSAUMFZSA-N 294.398 4.319 30 40 CIEB C=CC[C@@H](Nc1ccccc1)c1cccc(OC)c1OC 3882504 DTRMJXFQFKQCHY-MRXNPFEDSA-N 283.371 4.433 30 40 CIEB COc1ccc2c(c1)c(/C=C/C(=O)c1ccccc1)cn2C 3999662 HXHDMODCQZCKRN-DHZHZOJOSA-N 291.350 4.083 30 40 CIEB biogenic O=[N+]([O-])c1cccc2c(/C=N\c3ccccc3)cccc12 13402435 WTSRYQUNHFLGQN-PDGQHHTCSA-N 276.295 4.499 30 40 CIEB C=C(Br)Cc1ccc(SCC)cc1 15441295 MJWXVHGSTOFZTQ-UHFFFAOYSA-N 257.196 4.250 30 40 CIEB N#Cc1ccccc1CNc1ccc2c3c(cccc13)CC2 17525490 DZHGJOKZBQVGHW-UHFFFAOYSA-N 284.362 4.422 30 40 CIEB N#CC(F)(F)c1nc2ccccc2n1C1CCCCC1 242575064 NQOAKGJGZQBMJQ-UHFFFAOYSA-N 275.302 4.157 30 40 CIEB N#CC1(c2ccc(Br)c3ccccc23)CC1 575629473 YUDKSEGRANBGRP-UHFFFAOYSA-N 272.145 4.157 30 40 CIEB COc1ccc(Nc2nc3c(C)cccc3cc2C#N)cc1 421805 MJGQEGFZAJPQEE-UHFFFAOYSA-N 289.338 4.167 30 40 CIEB Cc1ccc2nc(N/N=C\c3cccc(C)n3)cc(C)c2c1 7996562 KDNFQYYVOLGCGG-ODLFYWEKSA-N 290.370 4.001 30 40 CIEB in-vitro C#CCOc1ccc(Cl)cc1/C=N/c1ccccc1C 8570839 ZEDKYJLUHDOILZ-XDHOZWIPSA-N 283.758 4.411 30 40 CIEB O=C(/C=C/c1ccccc1O)c1ccc2ccccc2c1 17379353 JAQHDCXOLGCUPY-VAWYXSNFSA-N 274.319 4.442 30 40 CIEB C=CCOC(=O)c1ccc(-c2nc3ccccc3s2)cc1 73634005 ZCSKTKFBHNZYGB-UHFFFAOYSA-N 295.363 4.306 30 40 CIEB CC(C)(C)c1ccc(C#CC2(O)CCCCC2)cc1 95631469 IALICMHVZATYNI-UHFFFAOYSA-N 256.389 4.031 30 40 CIEB O/N=C1/CCC=CCC[C@H]1N1CCC(c2ccccc2)CC1 100964716 PYMZQDBDMGWPTK-AWMOQWESSA-N 298.430 4.195 30 40 CIEB O/N=C(\Nc1cccc(Cl)c1)c1ccccc1Cl 5897643 INBNNOXDKKZEGN-UHFFFAOYSA-N 281.142 4.241 30 40 CIEB O=C(O/N=C1/CCC/C1=C/c1ccccc1)c1ccccc1 8555514 YLFWHGYQKGQRHV-KYIXFWMKSA-N 291.350 4.467 30 40 CIEB O=C(/C=C\c1c(F)cccc1Cl)c1cccs1 96551557 ZWQNTUOKMQAPRG-SREVYHEPSA-N 266.724 4.437 30 40 CIEB C/C(=N/N=N\c1ccc(N(C)C)cc1)c1ccccc1 104236487 YALGVJXYPMFGQI-PVAPHJRMSA-N 266.348 4.261 30 40 CIEB CC[C@H](C)n1c(C#N)cc(N)c1Cc1cccc(Cl)c1 225852748 ZEJDLNXMNOHFJN-NSHDSACASA-N 287.794 4.157 30 40 CIEB CCCC(CCC)=N/N=c1\sc2ccccc2n1C 499460 KISNRLXQPDKEDM-ICFOKQHNSA-N 275.421 4.097 30 40 CIEB CC(C)=CCOc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 5824858 YBCWJUWVJCFBJZ-BOPFTXTBSA-N 296.322 4.241 30 40 CIEB biogenic Cc1ccccc1/N=C1\SCC(=O)N1c1ccccc1C 15885527 CJSLWSKTENNCHR-ZCXUNETKSA-N 296.395 4.071 30 40 CIEB C[C@@H]1C[C@H](/N=C/c2ccc3c(c2)OCO3)CC(C)(C)C1 104359737 RSQLGKTUFLHEOF-DFGDDMDISA-N 273.376 4.049 30 40 CIEB N#CCCCCCCC(=O)c1ccccc1Br 2392776 VTGRNHRDODNSAZ-UHFFFAOYSA-N 294.192 4.496 30 40 CIEB COc1ccc(C2=C(SC)C/C2=N\C(C)(C)C)cc1 13111848 VAFXEDSHHMPNAU-GHRIWEEISA-N 275.417 4.413 30 40 CIEB CCOc1cccc(/C=N/Cc2ccc(Cl)cc2)c1O 44836098 BRJLYVOOZHAIJG-WOJGMQOQSA-N 289.762 4.063 30 40 CIEB O=C(/C=C/c1ccc(F)c(Cl)c1)c1ccccc1O 72333013 KYCRKYYJABVGHR-SOFGYWHQSA-N 276.694 4.081 30 40 CIEB CCCC[C@@H](CC)[C@H](O)C#Cc1cc(C)cc(C)c1 95633040 OTPYSEKPSQCBAF-QZTJIDSGSA-N 258.405 4.232 30 40 CIEB CC(C)(C)C1=CC(=O)c2cc(C(C)(C)C)ccc2C1=O 325860 FUBHSTWFLPEASG-UHFFFAOYSA-N 270.372 4.336 30 40 CIEB O=C(/C=C\Nc1ccccc1)c1ccc2c(c1)CCCC2 13405285 RLXRXNNLQWGEDG-SEYXRHQNSA-N 277.367 4.374 30 40 CIEB CCc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 32108238 KLFHZQGMPGDPJN-KPKJPENVSA-N 254.304 4.284 30 40 CIEB C=CCSc1ccccc1NC(=O)N1CCC[C@H](C)C1 40104109 CWMPTWJRIQSOFA-ZDUSSCGKSA-N 290.432 4.229 30 40 CIEB COc1ccc(Cl)cc1/N=C\c1cccc([N+](=O)[O-])c1 104164286 XQAZVHBEJNCNCT-SXGWCWSVSA-N 290.706 4.007 30 40 CIEB Oc1c(C=Nc2ccc(F)cc2)ccc2ccccc12 260840517 AAJMTOIAQZLPSA-UHFFFAOYSA-N 265.287 4.435 30 40 CIEB N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)[nH]c1=S 1386154 XFFLGWYTFMNVHP-UHFFFAOYSA-N 298.264 4.441 30 40 CIEB CCOc1ccc(/C=N/c2ccccc2)cc1OCC 6964206 MFAPGGXKKSYFAZ-QGOAFFKASA-N 269.344 4.235 30 40 CIEB N#C/N=C(/Nc1cccc(F)c1)SCc1ccccc1 18085903 BOHJXWIKYKVKNM-UHFFFAOYSA-N 285.347 4.008 30 40 CIEB CC[C@@H](C)OCCCC(F)(F)C(F)(F)C(F)(F)F 1772820742 OPSMIJCBOGGCRX-SSDOTTSWSA-N 284.215 4.415 30 40 CIEB Oc1ccc(Br)cc1/C=N/c1ccc(F)cc1 94623 GSSURLNEDJAYKV-LZYBPNLTSA-N 294.123 4.044 30 40 CIEB CC1=C[C@@H]2[C@H](C/C1=N\OCc1ccccc1)C2(C)C 4863226 XZSWOBJNYGYMTI-MZFSYSMJSA-N 255.361 4.181 30 40 CIEB C#CCOc1ccc(/C=N/c2ccccc2)cc1Cl 6295410 KQVKFVUDTFZLKI-LDADJPATSA-N 269.731 4.103 30 40 CIEB COc1ccc(/N=C/c2cc(Cl)c(O)c(Cl)c2)cc1 8116391 ZLWKTYUTKQOGIS-CAOOACKPSA-N 296.153 4.458 30 40 CIEB CC[C@@H](C)c1ccc(NC(=O)c2ccc(C#N)cc2)cc1 2648928 MOMFIHUTLDXZAF-CYBMUJFWSA-N 278.355 4.324 30 40 CIEB C/C(=N/N=C(\C)c1ccc(F)cc1)c1ccc(F)cc1 8642240 BTCAYYIXEROQOH-UHWBUFEVSA-N 272.298 4.198 30 40 CIEB N#Cc1cc(N)ccc1Nc1cc(Cl)ccc1Cl 41020448 NVRXJIIYACYFRB-UHFFFAOYSA-N 278.142 4.191 30 40 CIEB CC(=O)c1cccc(N/C=C/C(=O)c2ccc(C)c(C)c2)c1 44843950 TUGCISFQXXDYPQ-MDZDMXLPSA-N 293.366 4.315 30 40 CIEB CC(=O)c1ccc(/N=C/c2cccn2-c2ccccc2)cc1 59249279 SNOQOVFHZIYKKF-XSFVSMFZSA-N 288.350 4.431 30 40 CIEB CC[C@@H](C)C[C@@](C)(O)C#Cc1ccc(Cl)c(F)c1 95633357 INRSWNYICCNBIC-ABAIWWIYSA-N 268.759 4.018 30 40 CIEB O=[N+]([O-])c1cccc(/C=N\c2ccc3ccccc3c2)c1O 96624513 MHATXZSFCIEHCR-WQRHYEAKSA-N 292.294 4.204 30 40 CIEB CCCCCCCCNC(=O)c1ccc2oc(C)nc2c1 408729619 CTKXPPRBAAFSFL-UHFFFAOYSA-N 288.391 4.227 30 40 CIEB CCOc1ccc(/C=N/c2ccc(C)c(C)c2)cc1OC 437221 XWNTXUUTGSQZSM-XDHOZWIPSA-N 283.371 4.461 30 40 CIEB CCCCCCCC(=O)O[C@H](C)CC[C@H]1CCCO1 1730647 WWOBNXKJYPLNNL-HUUCEWRRSA-N 270.413 4.238 30 40 CIEB COc1ccc(/N=C/c2ccc3ccccc3c2O)cc1 32101533 CBCVFHZXYPGQFC-XDHOZWIPSA-N 277.323 4.305 30 40 CIEB Cc1oc(/N=C/c2cn(C)c3ccccc23)c(C#N)c1C 108604654 AGVNFGKZKBLZHW-DJKKODMXSA-N 277.327 4.010 30 40 CIEB CCc1ccc(C(=O)/C=C/N[C@H](C)c2ccccc2)cc1 409093900 BLYNKRNKOYXCJV-SZGUKTLCSA-N 279.383 4.296 30 40 CIEB C=C(C)C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F 575243132 SISHIRPYTZRYJF-UHFFFAOYSA-N 282.183 4.483 30 40 CIEB N#Cc1ccccc1C(=O)CCc1cccc(Cl)c1 2517219 BJERNBTWZYRMSD-UHFFFAOYSA-N 269.731 4.027 30 40 CIEB CCCNc1oc(-c2cccc3ccccc23)nc1C#N 4310115 VDJBEDQSQAIJLA-UHFFFAOYSA-N 277.327 4.188 30 40 CIEB Cc1ccc(C(=O)/C=C/c2ccc(C)c([N+](=O)[O-])c2)cc1 7717903 NCGPPBBYEAMYFL-JXMROGBWSA-N 281.311 4.108 30 40 CIEB CN1C=C(c2ccc3ccccc3n2)[C@@H](C#N)c2ccccc21 54278 BNNILAUPXGFLQZ-INIZCTEOSA-N 297.361 4.333 30 40 CIEB CC(C)(C)C(=O)/C=C/c1ccc(Br)cc1 1624842 PTEHJUKNDHZQIF-RMKNXTFCSA-N 267.166 4.078 30 40 CIEB C=CCNc1ncnc2sc(C)c(-c3ccccc3)c12 2887002 HUJRPZATGFVROS-UHFFFAOYSA-N 281.384 4.265 30 40 CIEB Clc1cccc(/C=N/Nc2nc3ccccc3s2)c1 4828316 JUVJUTPVQMMEEB-CXUHLZMHSA-N 287.775 4.396 30 40 CIEB O=C(Nc1ccccc1)N1CCC/C1=N\c1ccccc1 13566893 ZQPAGKWMMKCJMD-FBMGVBCBSA-N 279.343 4.045 30 40 CIEB CCCC[C@@H](CC)[C@H](O)C#Cc1ccc(F)c(C)c1 95632347 GMVFNEQIHKWEHE-NVXWUHKLSA-N 262.368 4.063 30 40 CIEB O/N=C/c1cc(Br)c(Sc2ccccc2)o1 100383466 PUFAKKPPLJGQKC-NTUHNPAUSA-N 298.161 4.001 30 40 CIEB Clc1nc2ccccc2cc1/C=N/Cc1ccco1 3445853 CVWBMOIFOBNOTB-RQZCQDPDSA-N 270.719 4.100 30 40 CIEB CC(C)(C)c1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1 4865097 XTCWTFQQLBFTNH-XDHOZWIPSA-N 292.386 4.306 30 40 CIEB CC1CCC(=NNc2ccc(Cl)c(C(=O)O)c2)CC1 5444445 WPQSTIVMJCQJSW-UHFFFAOYSA-N 280.755 4.016 30 40 CIEB C=CCSc1ccccc1NC(=O)N1CCC[C@@H](C)C1 40104108 CWMPTWJRIQSOFA-CYBMUJFWSA-N 290.432 4.229 30 40 CIEB C=CCC[C@@H](C)Sc1nnc(NCc2ccco2)s1 95460216 UYMUPNQHSUFPNT-SNVBAGLBSA-N 295.433 4.190 30 40 CIEB CCCCCCCCCCOc1ccoc(=O)c1 101461570 RHSZKYARFHODKR-UHFFFAOYSA-N 252.354 4.159 30 40 CIEB C[C@@H](CC(=O)c1ccc(F)c(C#N)c1)CC(C)(C)C 575361935 RSWLAPRUTPLRRQ-NSHDSACASA-N 261.340 4.342 30 40 CIEB C=CCSc1nnc(Nc2ccc(CC)cc2)s1 6559228 RHDGNIGUHJCTDX-UHFFFAOYSA-N 277.418 4.122 30 40 CIEB O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1Cl 6889450 IRFWCHXSEMHABR-CMDGGOBGSA-N 287.702 4.144 30 40 CIEB C[C@H]1CCc2ccccc2N1Cc1cc(C#N)ccc1F 11193072 CSIOUAAOQKSNGS-ZDUSSCGKSA-N 280.346 4.039 30 40 CIEB Oc1ccc2ccccc2c1/C=N/c1nc2ccccc2[nH]1 16513194 MNMXYBJKEDSZSG-YBFXNURJSA-N 287.322 4.172 30 40 CIEB CCOC(=O)c1ccc(N=CN(CC)c2ccccc2)cc1 254309041 LTGPEBRDBMFYBR-UHFFFAOYSA-N 296.370 4.050 30 40 CIEB N#CCc1cc(C(F)(F)F)cc(Br)c1Cl 575679279 RORZDGNHOBWOOG-UHFFFAOYSA-N 298.489 4.187 30 40 CIEB CSc1nc2c(c(-c3ccc(C)o3)c1C#N)CCCC2 181207 GCNLRWAILWXJOY-UHFFFAOYSA-N 284.384 4.122 30 40 CIEB O=C(/C=C\c1ccccc1Cl)c1ccccc1[N+](=O)[O-] 5181194 PACIUMKGBFMUIQ-KTKRTIGZSA-N 287.702 4.144 30 40 CIEB Oc1ccc(Cl)cc1/C=N/c1ccc2c(c1)CCC2 5288960 VMFIPJNXSDIAMR-VCHYOVAHSA-N 271.747 4.285 30 40 CIEB O=C(/C=C\c1cc(Br)cs1)c1cccs1 33373947 KCODWSOCVAZILP-ARJAWSKDSA-N 299.214 4.468 30 40 CIEB Cc1cc(/C=N\O)c(C)n1-c1ccc(Cl)cc1Cl 409007059 MQGHIEFRUAOARH-APSNUPSMSA-N 283.158 4.209 30 40 CIEB C/C(=N\Nc1nc2ccccc2s1)c1ccccc1F 6312678 RVXBDHFQJFGBHP-VCHYOVAHSA-N 285.347 4.272 30 40 CIEB CC(=O)/C(=C\c1cccc(Cl)c1)C(=O)c1ccccc1 16957439 FDWALFOBCKXYPC-LFIBNONCSA-N 284.742 4.195 30 40 CIEB C(=N/CC1CCC(C/N=C/c2ccco2)CC1)\c1ccco1 18098095 QEZUEECQANDDII-IWGRKNQJSA-N 298.386 4.217 30 40 CIEB C=C(Br)Cc1ccccc1C(F)(F)F 71795166 LBULCFMTSOZYMY-UHFFFAOYSA-N 265.072 4.157 30 40 CIEB CCCC[C@@H](CC)[C@H](O)C#Cc1cccc(C)c1C 95632022 JRTJIQBZGLYEMI-SJLPKXTDSA-N 258.405 4.232 30 40 CIEB COc1ccc(Cl)cc1/C=C/C=N\c1ccccc1O 102888722 IUJOKMCEJJMNGO-ZQQMDRIUSA-N 287.746 4.470 30 40 CIEB COc1ccccc1/N=C\c1c(C)n(C)c2ccccc12 408847451 MJMMUGIFEQPVTO-UNOMPAQXSA-N 278.355 4.246 30 40 CIEB C=C(C)c1cccc(C(C)(C)NC(=O)N2CCCCC2)c1 95095 YERCQLADQKMMHR-UHFFFAOYSA-N 286.419 4.150 30 40 CIEB N#C[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl 1597913 IERKUBFHQMKYFL-CYBMUJFWSA-N 269.731 4.220 30 40 CIEB O=C(O)c1ccc(/C=N/c2cccc3ccccc23)cc1 325279 UCDJEHKAYIOQKQ-XDHOZWIPSA-N 275.307 4.289 30 40 CIEB CCCCCCC(=O)/C=C\c1ccc(N(C)C)cc1 16954843 JKRDQQGSRBCOAZ-KAMYIIQDSA-N 259.393 4.305 30 40 CIEB CC(=O)O/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 85346666 IQRQBHUFGFBWLP-FRKPEAEDSA-N 298.125 4.150 30 40 CIEB CCCC[C@H](CC)[C@H](O)C#Cc1ccc(F)c(C)c1 95632348 GMVFNEQIHKWEHE-DOTOQJQBSA-N 262.368 4.063 30 40 CIEB CCCC[C@H](CC)[C@@H](O)C#Cc1ccc(F)c(Cl)c1 95632859 ISMLBAIBOKHSIH-BBRMVZONSA-N 282.786 4.408 30 40 CIEB CCCCCCCCCCCCCCNC(=O)[C@@H](C)O 104037786 BPSSWVRROCFULD-MRXNPFEDSA-N 285.472 4.185 30 40 CIEB CSC(=NC#N)Sc1cccc(Cl)c1Cl 252621344 MWCFWFYMQBBFDG-UHFFFAOYSA-N 277.201 4.286 30 40 CIEB CCOc1ccccc1/N=C\c1cc(OC)c(OC)cc1C 408549474 UFEMRQICDGQLMD-UNOMPAQXSA-N 299.370 4.162 30 40 CIEB CN1C=C(c2ccc3ccccc3n2)[C@H](C#N)c2ccccc21 54279 BNNILAUPXGFLQZ-MRXNPFEDSA-N 297.361 4.333 30 40 CIEB CCCCCCCCC[C@@]1(C(=O)OCC)OC1(C)C 1589701 CQWNDBOQVMLKCB-INIZCTEOSA-N 270.413 4.238 30 40 CIEB COc1cccc(-c2nc3ccccc3c(C)c2C#N)c1 15453927 AEYJSGNUFPDCDW-UHFFFAOYSA-N 274.323 4.091 30 40 CIEB Cc1cccc(C(=O)/C=C\Nc2ccc(Cl)cc2)c1 16349034 LRKFNXRJUFQNOZ-KTKRTIGZSA-N 271.747 4.457 30 40 CIEB C=CCc1cc(CNc2ccccc2C)cc(OC)c1O 76274812 XSNJRJRSKXYTID-UHFFFAOYSA-N 283.371 4.050 30 40 CIEB C[C@@](O)(C#Cc1cc(Cl)cc(Cl)c1)c1ccccc1 95632922 LFEUQWFNUAEDJJ-MRXNPFEDSA-N 291.177 4.253 30 40 CIEB O/N=C\c1ccccc1Oc1ccc(Cl)c(F)c1 100034615 VGQLDYWJGIQJRP-PXNMLYILSA-N 265.671 4.080 30 40 CIEB CC(=O)/C(=C\Nc1ccccc1)C(=S)Nc1ccccc1 100068023 BVMGLFSTQCIUBI-FOWTUZBSSA-N 296.395 4.011 30 40 CIEB CCOc1ccc(N/C=C2\Sc3ccccc3C2=O)cc1 100247046 FMXSXUDWBJOSRN-WJDWOHSUSA-N 297.379 4.327 30 40 CIEB C=CCN(CC=C)C(=O)C12CC3C[C@](C)(C1)C[C@](C)(C3)C2 100992739 KBNISGQJMMCIIA-FTJRRQOFSA-N 287.447 4.184 30 40 CIEB CCc1ccc(C(=O)/C=C/Nc2ccc(N(C)C)cc2)cc1 409095462 CPYCXGIBURNYNN-BUHFOSPRSA-N 294.398 4.124 30 40 CIEB CCCCCOc1ccc(NC2=CC(=O)CCC2)cc1 3904007 OPBZJWNLHDMROY-UHFFFAOYSA-N 273.376 4.304 30 40 CIEB c1ccc2nc(NN=C3CCCCCC3)ccc2c1 4181262 GLSJIBUYHHFTHE-UHFFFAOYSA-N 253.349 4.357 30 40 CIEB CCOc1cccc(/C=N/c2cccc(CC)c2)c1O 44835961 CXXPDPMPTULYAG-LDADJPATSA-N 269.344 4.104 30 40 CIEB CCCCCCCCCCC[C@H](O)CC(=O)OCC 59171305 GGXXPLYVCUGEOP-HNNXBMFYSA-N 272.429 4.221 30 40 CIEB Cc1ccc(/N=C\c2ccc3c(c2)OCO3)cc1Cl 95920283 HBKFAZZGUWZLRS-IUXPMGMMSA-N 273.719 4.128 30 40 CIEB N#Cc1ccccc1Cn1ccc(-c2cc3ccccc3o2)n1 216689834 JNEJTVBKFQYIJL-UHFFFAOYSA-N 299.333 4.216 30 40 CIEB NC/C(=N\c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 255189154 OBAUJBRUTLHIBN-UHFFFAOYSA-N 294.185 4.094 30 40 CIEB C=CCCOc1ccc(Cl)cc1Br 303813273 NYDMBOCEJFNAKC-UHFFFAOYSA-N 261.546 4.057 30 40 CIEB C=CCn1c(-c2ccccc2)csc1=NC(C)(C)C 334157676 BRDSDLMDBMNKPS-UHFFFAOYSA-N 272.417 4.102 30 40 CIEB CCCCCCCNC(=O)c1ccc(Cl)cc1 1597733 SUCHSHJNDUYDRM-UHFFFAOYSA-N 253.773 4.040 30 40 CIEB CC(C)(C)CC1=CO[C@@](C=O)(CC(C)(C)C)CC1 2044909 DCRCRUUDJKPUJK-MRXNPFEDSA-N 252.398 4.491 30 40 CIEB CCN1/C(=C/C(C)=O)Sc2c1ccc1ccccc21 4713939 AGBNNIRDVRFBKR-GDNBJRDFSA-N 269.369 4.202 30 40 CIEB C/C(=N/Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 5369798 QJBHULYDXOHLFI-YBEGLDIGSA-N 289.722 4.084 30 40 CIEB Cc1ccc(C(=O)/C=C/c2cccc(Br)c2)o1 16975881 JPTNODCPLWXJQG-VOTSOKGWSA-N 291.144 4.247 30 40 CIEB N#Cc1c(Cl)nc(C2CCCCC2)c2c1CCC2 32070393 HKRZEYMYCFKUEU-UHFFFAOYSA-N 260.768 4.143 30 40 CIEB CCCCCCCNS(=O)(=O)c1ccc(C(C)C)cc1 112189833 YXTXQHYHBAZLTL-UHFFFAOYSA-N 297.464 4.059 30 40 CIEB Sc1ccccc1/N=C/c1ccc(Cl)s1 408966010 KZNLPNYTMDDBSY-NTUHNPAUSA-N 253.779 4.441 30 40 CIEB O=C(O)c1ccc(/C=N/c2ccc3ccccc3c2)cc1 322550 HWEREJPWWAXPBS-XDHOZWIPSA-N 275.307 4.289 30 40 CIEB C=C[C@]1(c2ccc3ccccc3c2)OC[C@@H](CC)O1 1644410 TYNMRKHQEUSCGK-SJORKVTESA-N 254.329 4.004 30 40 CIEB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(F)cc1Cl 2625257 KYMRGJLPGFJTRG-UHFFFAOYSA-N 292.653 4.051 30 40 CIEB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C#Cc1ccccc1 3846270 WDOZQXWWPJRUPB-KBAYOESNSA-N 284.399 4.042 30 40 CIEB biogenic CCC/C(=N\Nc1ncnc2ccccc12)c1ccccc1 11859687 SEYCAMBANDLHHR-LTGZKZEYSA-N 290.370 4.246 30 40 CIEB CCCCCCCCCCCCCC[C@@H](O)CN 43285051 QJARJRBYFJRFGX-MRXNPFEDSA-N 257.462 4.397 30 40 CIEB CCCCCCCCCC/C(=C\CC(=O)O)C(=O)O 72320175 BWSQDEWKZUMVIG-ACCUITESSA-N 270.369 4.003 30 40 CIEB biogenic,in-vitro C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC(=O)O 85975555 CDFOVPVYHVWCGP-ZENOOKHLSA-N 250.382 4.260 30 40 CIEB biogenic,in-vitro N#CCCCCOc1cc(C(F)(F)F)ccc1Cl 95733719 JBRAWGMQWYIDOZ-UHFFFAOYSA-N 277.673 4.431 30 40 CIEB CCCCN1c2cc(OC)c(C#N)cc2C(C)=CC1(C)C 223793238 LJISNHGYYBMVCT-UHFFFAOYSA-N 284.403 4.369 30 40 CIEB N#CCc1nc(-c2ccc(Cl)cc2Cl)cs1 3279383 CFZAJQGVLUIXOI-UHFFFAOYSA-N 269.156 4.183 30 40 CIEB Fc1ccc(/C=N/Nc2ccc(Cl)cc2)cc1F 4921697 HKKCCWOWUIOYFJ-CAOOACKPSA-N 266.678 4.064 30 40 CIEB Cc1c(C(=O)Nc2cccc(C#N)c2)oc2c(F)cccc12 7956074 KKHOOXNJIROUET-UHFFFAOYSA-N 294.285 4.004 30 40 CIEB N#Cc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 8307088 MIZLCAPXWFKBPI-UHFFFAOYSA-N 290.410 4.013 30 40 CIEB CCCC/N=C(/S)Nc1ccc(C(F)(F)F)cc1 13684894 FBPBNQZAYPVJBT-UHFFFAOYSA-N 276.327 4.203 30 40 CIEB COc1ccccc1/C=C1\Sc2ccccc2C1=O 15009510 TYYAXKLSFKKUFU-GDNBJRDFSA-N 268.337 4.025 30 40 CIEB C(\CCC/C=N/Nc1ccccc1)=N\Nc1ccccc1 17418435 LVWUPUGYSHULKR-KPNKYRRCSA-N 280.375 4.353 30 40 CIEB Cc1ccc(C(=O)/C=C/Nc2cccc(F)c2)cc1C 44844038 CKRWNEAEDVAVRK-CMDGGOBGSA-N 269.319 4.251 30 40 CIEB O=C1C(=C2Sc3ccccc3C2=O)Sc2ccccc21 1857777722 JOUDBUYBGJYFFP-UHFFFAOYSA-N 296.372 4.175 30 40 CIEB Cc1ccc(Cl)cc1/N=C/c1ccc(N(C)C)cc1 2160311 CIJBINJIBVZCPA-WOJGMQOQSA-N 272.779 4.465 30 40 CIEB CCCCCC(=O)Nc1sc2c(c1C#N)CCCCC2 4611987 WFLXQAMQWWTSCD-UHFFFAOYSA-N 290.432 4.407 30 40 CIEB Cc1ccc(C(=O)/N=C2/C[C@@H]3CC[C@@]2(C)C3(C)C)cc1 6478722 QHRWIYCBIBBJQB-XKZZHMLESA-N 269.388 4.422 30 40 CIEB O=[N+]([O-])c1ccc(/C=N\Nc2ccc3ccccc3c2)cc1 32125617 DKCVYNSCSVFZSG-PDGQHHTCSA-N 291.310 4.194 30 40 CIEB Oc1ccccc1/C=N\c1ccc(C(F)(F)F)cc1 95481359 GTJJEUWREOQQJC-NVMNQCDNSA-N 265.234 4.162 30 40 CIEB CC[C@H](C)n1c(C#N)cc(N)c1Oc1ccccc1C 225879228 AOWKEYAJUBVCNU-LBPRGKRZSA-N 269.348 4.014 30 40 CIEB CC(=NNc1nc2ccccc2s1)c1ccc(C)cc1 254557446 YORUQFAJOBESTQ-UHFFFAOYSA-N 281.384 4.441 30 40 CIEB C#CCOc1cccc(/C=N\c2cc(Cl)ccc2C)c1 409208343 FIEIQECYSSDLMN-UNOMPAQXSA-N 283.758 4.411 30 40 CIEB CCOc1ccc(/C=C2\Sc3ccccc3C2=O)cc1 12411681 LRJJCHYWWACMBA-WJDWOHSUSA-N 282.364 4.415 30 40 CIEB C=CCOc1ccc(NC(=O)Cc2cc(C)ccc2C)cc1 20104801 TXFSLUTYWHBLLJ-UHFFFAOYSA-N 295.382 4.049 30 40 CIEB C=CCc1cc(/C=N/Cc2ccccc2)cc(OCC)c1O 59302293 WXDOSDBWVMHOOG-XSFVSMFZSA-N 295.382 4.139 30 40 CIEB O=C(C1=C[C@H]2Cc3ccccc3[C@H]2C=C1)c1ccccc1 108103908 XNZMADWRKFHRFQ-MJGOQNOKSA-N 272.347 4.322 30 40 CIEB C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)C(O)=C[C@@H]3[C@H]1CC2 685936006 LXOZLSIXNMHSLR-DTFBLWLJSA-N 272.388 4.180 30 40 CIEB N#Cc1cccc(C(=O)CCc2cccc(Cl)c2)c1 2517220 NVXSWVFKHNTWBO-UHFFFAOYSA-N 269.731 4.027 30 40 CIEB C[C@H](C#N)Sc1ncnc2sc(-c3ccccc3)cc12 6114578 NHBRHYPIVBPRQB-SNVBAGLBSA-N 297.408 4.362 30 40 CIEB Cc1oc(/N=C/C=C/c2ccccc2)c(C#N)c1C 8306898 DYNUVEWGFFDPAK-XICJKMHVSA-N 250.301 4.184 30 40 CIEB N#C/C(=N\c1ccccc1)c1cccc(Br)c1 17125535 UJDDDQBHPMRMAV-SAPNQHFASA-N 285.144 4.093 30 40 CIEB [N-]=[N+]=Nc1ccc(Br)cc1Br 39250340 PNFFQZGQSSKAQX-UHFFFAOYSA-N 276.919 4.153 30 40 CIEB Oc1ccc(Cl)cc1/C=N/CCc1c[nH]c2ccccc12 100457944 YDECGWOMNGFHHP-VXLYETTFSA-N 298.773 4.189 30 40 CIEB N#Cc1ccc(CCc2ccccc2)n1Cc1ccccc1 226028867 JQTSRQCXPVOYKQ-UHFFFAOYSA-N 286.378 4.193 30 40 CIEB C/C(=N\O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1 17302344 PAYHQBXWKKHYKV-FHUUTLRSSA-N 282.347 4.366 30 40 CIEB Oc1c(/C=N\Cc2ccc(F)cc2)ccc2ccccc12 32101668 BDUZPBIPIUYAFX-NDENLUEZSA-N 279.314 4.304 30 40 CIEB O=C(/C=C\c1ccc(Cl)cc1)c1ccc(F)cc1 35804033 WXGUVJMPLPVNHX-KMKOMSMNSA-N 260.695 4.375 30 40 CIEB Cc1ncc(CSCCCC(C)(C)C#N)s1 95419529 AFOSIGCBAXWHEV-UHFFFAOYSA-N 254.424 4.015 30 40 CIEB CC[C@@H](C)C[C@](C)(O)C#Cc1ccc(Cl)c(F)c1 95633355 INRSWNYICCNBIC-IAQYHMDHSA-N 268.759 4.018 30 40 CIEB C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1O 409119753 UFCZCSYIZKXKEZ-UHFFFAOYSA-N 297.398 4.440 30 40 CIEB CCc1c(C)sc(NC(=O)/C=C/c2ccccc2)c1C#N 483928 VWXQXDUZGMKPFZ-MDZDMXLPSA-N 296.395 4.143 30 40 CIEB CCc1ccc(/C=C2\CCc3cc(OC)ccc3C2=O)cc1 3895080 RAWQWKAHUOZUFJ-SFQUDFHCSA-N 292.378 4.470 30 40 CIEB O=C(/C=C/c1ccc(OC(F)F)cc1)c1ccc(F)cc1 8980318 HFBKPRAVQZIIIW-XCVCLJGOSA-N 292.256 4.323 30 40 CIEB C[C@H](Nc1ccc(C#N)cn1)c1ccc2c(c1)CCCC2 12901590 RYMPOOJFYYDZRN-ZDUSSCGKSA-N 277.371 4.005 30 40 CIEB C=C[C@H](/C=C\c1ccc(O)cc1)c1ccc(O)cc1 14439508 VEAUNWQYYMXIRB-JHAQOBCDSA-N 252.313 4.081 30 40 CIEB biogenic,in-vitro OC1(C#Cc2ccc(-c3ccccc3)cc2)CCCC1 95632827 RFCHVYSYFWKJFZ-UHFFFAOYSA-N 262.352 4.010 30 40 CIEB CO/C=N\c1ccc(/N=N\c2cc(C)ccc2O)cc1 104208105 IOJXWYSAFSIHPU-HEVGOETFSA-N 269.304 4.422 30 40 CIEB C#Cc1cccc(/N=C\c2cc(Cl)cc(Cl)c2O)c1 104223718 NFCUIGOZOMHBSW-NVMNQCDNSA-N 290.149 4.431 30 40 CIEB O=C1Nc2ccccc2/C1=N/c1ccc(Cl)c(Cl)c1 125401 CJNYUXZTOYHFPZ-UHFFFAOYSA-N 291.137 4.066 30 40 CIEB CCCCCCCC(=O)Nc1cc(C)ccc1OC 2739032 PMZLPAQGTWNETD-UHFFFAOYSA-N 263.381 4.303 30 40 CIEB CCCCC(=O)/C=C/Cn1c(=S)oc2ccccc21 4905209 QICNRTBSYVKSKK-SOFGYWHQSA-N 275.373 4.279 30 40 CIEB COc1cccc(/C=C/C(=O)c2cc(C)ccc2C)c1OC 8322692 XFVGXRHCRMYCQH-ZHACJKMWSA-N 296.366 4.217 30 40 CIEB O=C1/C(=C/c2ccsc2)CSc2c(F)cccc21 14198775 DEUWLNNOLGUBLK-UXBLZVDNSA-N 276.357 4.259 30 40 CIEB C[C@H](N/C=C/C(=O)c1ccc(Cl)cc1)c1ccccc1 409057112 IQPYUKYTMGOHGV-YLSINNKHSA-N 285.774 4.387 30 40 CIEB O=C1/C(=C\c2ccccc2F)Sc2ccccc21 94235 TWSSPAORZFWXAZ-NTEUORMPSA-N 256.301 4.155 30 40 CIEB O=C1/C(=C\c2ccc(OC(F)F)cc2)Cc2ccccc21 2581804 MGHFGSGYLQNPKD-LCYFTJDESA-N 286.277 4.110 30 40 CIEB Cc1ccc(/C=N/Nc2cc(C)c3ccccc3n2)s1 5553589 SZDNAIARPOBGAJ-LICLKQGHSA-N 281.384 4.359 30 40 CIEB N#Cc1cc(Cl)ccc1OCc1ccccc1Cl 11832463 ROHNNXIHWZZTNZ-UHFFFAOYSA-N 278.138 4.444 30 40 CIEB C/C(=N/Nc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 51103013 QMUPHFCZOLAFDW-GRSHGNNSSA-N 284.750 4.052 30 40 CIEB C/C(=N\c1ccccc1S)c1cc2ccccc2oc1=O 68601545 NOSOQOXHZCMDKL-WOJGMQOQSA-N 295.363 4.222 30 40 CIEB CC(C)Cn1c(C#N)cc(N)c1Oc1ccccc1Cl 225881002 IELNANGMTUKZLT-UHFFFAOYSA-N 289.766 4.044 30 40 CIEB Oc1ccccc1/C=N\c1ccc(F)cc1Br 145506 OIOZQBSUUCSSMM-PXNMLYILSA-N 294.123 4.044 30 40 CIEB C/C(=N\N=N/c1ccc(N(C)C)cc1)c1ccccc1 8651630 YALGVJXYPMFGQI-FPNQCRJFSA-N 266.348 4.261 30 40 CIEB CCCCCCC(=O)/C=C\c1ccccc1OCOC 17064685 WFGREEPSMLZTEN-SEYXRHQNSA-N 276.376 4.222 30 40 CIEB C=CCNc1oc(-c2ccc(C(C)(C)C)cc2)nc1C#N 27460168 WVINQCRAXMSWGU-UHFFFAOYSA-N 281.359 4.109 30 40 CIEB Cc1cc(N/N=C/c2cccs2)c2ccccc2n1 41127768 NWKCUWRQNWHIIJ-MHWRWJLKSA-N 267.357 4.051 30 40 CIEB COc1ccc(/C=C2\C(=O)[C@@H](c3ccccc3)C=C2C)cc1 100989725 KELZEBAUXVZTKJ-CWDSQJGSSA-N 290.362 4.391 30 40 CIEB COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1 104226972 USRCFJUXDYYDDD-GRSHGNNSSA-N 279.261 4.465 30 40 CIEB C=C(Br)CCc1cc(F)cc(Cl)c1 952958817 GSMLUQWYBGFFMZ-UHFFFAOYSA-N 263.537 4.320 30 40 CIEB N#Cc1c(/N=C/c2cccs2)sc2c1CCCC2 63249 TZJCTZKVAMHOPV-CXUHLZMHSA-N 272.398 4.311 30 40 CIEB CC(C)(Cc1ccc(F)cc1)/N=C/c1ccccc1 156476 HPAANHNPBCGDLR-CPNJWEJPSA-N 255.336 4.266 30 40 CIEB C=C[C@@](C)(CCC=C(C)C)OC(=O)Cc1ccccc1 2045163 RROUXOOIXJRTOM-SFHVURJKSA-N 272.388 4.463 30 40 CIEB endogenous,in-man CC[C@@H]1/C(=N/O)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 13539942 KELKCHCDSYUMCO-HPFZAGPJSA-N 294.398 4.319 30 40 CIEB Cc1ccsc1/C=C1/CCc2ccccc2C1=O 17783235 OYQFLMJAFRQFBO-RAXLEYEMSA-N 254.354 4.269 30 40 CIEB N#CCCCCOc1ccc(Cl)cc1Br 42209024 TXLWELROANCRFQ-UHFFFAOYSA-N 288.572 4.175 30 40 CIEB Cc1ccc(N/N=C2/Sc3ccccc3C2=O)c(C)c1 100857516 JZGQLCAXCFXPJW-FBMGVBCBSA-N 282.368 4.017 30 40 CIEB C#CCOc1ccccc1/C=N/c1cc(Cl)ccc1C 409211045 MACGJVJPHJFRQK-XDHOZWIPSA-N 283.758 4.411 30 40 CIEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(Cl)cc1 5379122 NDEXQKDXJDRLIH-CXUHLZMHSA-N 274.707 4.307 30 40 CIEB CS/C(=N/c1ccccc1)NCc1ccc(Cl)cc1 6850165 NJQQKWXTPOVCFD-UHFFFAOYSA-N 290.819 4.480 30 40 CIEB Cc1cc(N2CCCC2)ccc1/C=N/Nc1ccccc1 16282066 ZUOQLOYPONONJY-XMHGGMMESA-N 279.387 4.041 30 40 CIEB CC(C)(C)O/C(O)=N/CCc1cc(Cl)cc(Cl)c1 328578475 MMGMFQRKFKKTCV-UHFFFAOYSA-N 290.190 4.265 30 40 CIEB CC/C(=N/Nc1ccc(Cl)nn1)c1cccc(Cl)c1 48254086 YKBZIAZPMILQBS-WJDWOHSUSA-N 295.173 4.010 30 40 CIEB O/N=C1/CCC=CCCC=CCC[C@@H]1N1CCCCC1 1559628111 ULZMQPHIXGOUSI-IFUGFTHGSA-N 276.424 4.138 30 40 CIEB O=C(/C=C/c1ccc(F)cc1)c1ccc(Cl)cc1 3898855 PLCRXLPQUCVAPP-XCVCLJGOSA-N 260.695 4.375 30 40 CIEB Cc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)c(O)c1 4150688 VEQCXANGMTWVTN-VXLYETTFSA-N 296.395 4.263 30 40 CIEB CCCc1ccc(O)c(/N=C/c2cc(Cl)ccc2O)c1 4499447 ULFZITNQCNVPMO-VCHYOVAHSA-N 289.762 4.454 30 40 CIEB N#C[C@@]1(c2nc3ccccc3[nH]2)C[C@H]1c1ccc(Cl)cc1 6694763 PCVKOQHRZTUEFR-GUYCJALGSA-N 293.757 4.165 30 40 CIEB C/C(=N/Nc1cc(C)c2cc(C)ccc2n1)c1ccccn1 17127135 MQAAKPITBPYSEY-STZFKDTASA-N 290.370 4.083 30 40 CIEB CCCc1sc(-n2c(C)cc(C=O)c2C)c(C#N)c1C 98063963 ZUGHKPXUTMPRDM-UHFFFAOYSA-N 286.400 4.101 30 40 CIEB O/N=C/c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 102984744 YOLSMEYJPPMXNC-VCHYOVAHSA-N 297.745 4.001 30 40 CIEB C=C(Cl)CSc1nnc(Nc2ccc(C)cc2)s1 6650610 NFDSSODJTLNUNO-UHFFFAOYSA-N 297.836 4.435 30 40 CIEB Oc1ccccc1/C=N/Cc1cccc(C(F)(F)F)c1 57411796 NYEPIBMXXFWWKJ-VXLYETTFSA-N 279.261 4.030 30 40 CIEB N#CCCCCSc1nnc(-c2cc3ccccc3o2)o1 89873084 YXIIAAVIRYWNIG-UHFFFAOYSA-N 299.355 4.269 30 40 CIEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N\OC(=O)c1ccc(F)cc1)C2 100505520 PQAMVPPCXDLVCM-JMGVKUAZSA-N 289.350 4.185 30 40 CIEB CCSc1nccc(-c2ccc(Cl)cc2)c1C#N 1403515 WKFMUMZSHKZTGQ-UHFFFAOYSA-N 274.776 4.386 30 40 CIEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccccc1F)C2 4829057 DRANHXWAADSRNU-SJCJKPOMSA-N 273.351 4.147 30 40 CIEB CC(/N=N/c1ccc([N+](=O)[O-])cc1)=N\Nc1ccccc1 5124947 FHIGZTOTTOEVNT-VJYQPPNCSA-N 283.291 4.124 30 40 CIEB O=C(/C=C/c1cccc(F)c1)c1ccc(F)cc1F 6788711 GQRYBZFHZKJENP-QPJJXVBHSA-N 262.230 4.000 30 40 CIEB Cc1nnc(Oc2ccc(C#N)cc2Cl)c2ccccc12 12916080 GRYVOBSDBRQJQF-UHFFFAOYSA-N 295.729 4.256 30 40 CIEB O=C(C=C(C(F)(F)F)C(F)(F)F)/C=C\c1ccccc1 16982494 LXNIKNRXUBXSRA-SREVYHEPSA-N 294.194 4.320 30 40 CIEB N#Cc1c(/N=C/N2CCCCCC2)sc2c1CCCC2 227181 WILDPBLODXIJIY-LDADJPATSA-N 287.432 4.034 30 40 CIEB CC(C)(C)c1ccc(/C=C2/Oc3cc(O)ccc3C2=O)cc1 534831 RWJCELGQGGFLBR-LICLKQGHSA-N 294.350 4.306 30 40 CIEB O=C1c2ccccc2-c2ccc(C#Cc3ccccc3)cc21 2285370 GINAYVVNUCJFII-UHFFFAOYSA-N 280.326 4.298 30 40 CIEB C[C@H](N[C@H](C#N)C(F)(F)c1ccccc1)c1ccccc1 95470354 BXPFXBXPQPVIAJ-XJKSGUPXSA-N 286.325 4.021 30 40 CIEB CCCCCCCCC[C@H](C)COC(=O)CN1CCCC1 97951520 KDDPGABGAPUUPB-KRWDZBQOSA-N 297.483 4.402 30 40 CIEB CCOc1ccc(N/C=C2\C(=O)[C@]3(C)CC[C@@H]2C3(C)C)cc1 100362967 GYVCCTGMMFPHGW-YQFFJRNJSA-N 299.414 4.406 30 40 CIEB O/N=C1/CCCCCCCCCC[C@H]1Sc1nnc[nH]1 100964994 KYUUYLWVRAINRL-FDIDITGRSA-N 296.440 4.010 30 40 CIEB Cc1ccc(C)c(Oc2c(N)cc(C#N)n2C2CCCC2)c1 225885050 SGARXHUVQPASDU-UHFFFAOYSA-N 295.386 4.466 30 40 CIEB O=C(/C=C/c1ccccc1)c1cc(F)ccc1Cl 575361445 FTVMIABZLPGKEE-RMKNXTFCSA-N 260.695 4.375 30 40 CIEB N#Cc1ccccc1C(=O)CCc1cc(F)cc(Cl)c1 2517738 PEJQHOXINKWNTG-UHFFFAOYSA-N 287.721 4.166 30 40 CIEB C[C@@H](C#N)Sc1nc(-c2cccs2)nc2ccccc12 4601645 RYCOVIUSIJEIMR-JTQLQIEISA-N 297.408 4.362 30 40 CIEB CN1/C(=C/C=Nc2ccccc2)C=Cc2ccccc21 584905967 VKAYIEVWCWYMCO-FOKBBALGSA-N 260.340 4.436 30 40 CIEB COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1F 7904061 NFHVHDGWSZYPNA-WEVVVXLNSA-N 270.303 4.039 30 40 CIEB Cc1cc([N+](=O)[O-])cc(/C=N/c2cccc(Cl)c2)c1O 16269560 YSAYZFXCETVEGK-LZYBPNLTSA-N 290.706 4.013 30 40 CIEB O=C1CCCC/C1=C\Nc1nc(-c2ccccc2)cs1 18157475 GHOLYOHZNKOIJD-JLHYYAGUSA-N 284.384 4.249 30 40 CIEB CCCC[C@H](CC)[C@H](O)C#Cc1cc(F)c(F)c(F)c1 95632735 XSRMFDDISMCBNM-SWLSCSKDSA-N 284.321 4.033 30 40 CIEB C/C(=C\C(=O)c1ccc(F)cc1)Nc1ccccc1F 108220495 GAKGQEZPCKPPHU-ZHACJKMWSA-N 273.282 4.163 30 40 CIEB N#Cc1c(Cl)ncc(Cl)c1-c1ccccc1F 256052820 OUVURNCMVLABRD-UHFFFAOYSA-N 267.090 4.066 30 40 CIEB CC(C)=CC(=O)c1ccc(OC(F)(F)C(F)F)cc1 575361203 SPJXVIJIFNDXSQ-UHFFFAOYSA-N 276.229 4.072 30 40 CIEB FC(F)(F)C(F)(CCOc1ccccc1)C(F)(F)F 1083810982 HMJVCVGJKGZOFJ-UHFFFAOYSA-N 290.178 4.288 30 40 CIEB N#Cc1c(/N=C/c2ccc(F)c(F)c2)sc2c1CCC2 3236503 HJUUBQVQMWRSJN-UFWORHAWSA-N 288.322 4.137 30 40 CIEB C=C(C)[C@@H]1CC=C(C)/C(=N/Nc2ccccc2[N+](=O)[O-])C1 100004490 BLJLQRKYWHELPR-MIKWNVPKSA-N 285.347 4.295 30 40 CIEB CC(=O)/C(=C/Nc1ccc(Cl)cc1)c1ccccc1 100068217 IQHPPLWAGBAPQI-WJDWOHSUSA-N 271.747 4.382 30 40 CIEB N#Cc1cnc(N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)c(Cl)c1 1776001779 LOQUAXQBBHUXFA-GJZGRUSLSA-N 299.805 4.218 30 40 CIEB CC1=C[C@H]2[C@@H](C/C1=N\OCc1ccccc1)C2(C)C 4863227 XZSWOBJNYGYMTI-OKTHBKQSSA-N 255.361 4.181 30 40 CIEB Cc1ccc2nc(C)cc(N/N=C/c3ccc(F)cc3)c2c1 5006949 IYNVAAFEWIWHER-RGVLZGJSSA-N 293.345 4.437 30 40 CIEB CCc1ccc(/N=C/c2cc(Cl)ccc2O)cc1 5287370 HCOUQRYILAPIDP-LICLKQGHSA-N 259.736 4.359 30 40 CIEB O=C(/C=C/c1ccc2c(c1)OCO2)c1cc2ccccc2o1 6048649 BZAJJQOLOFZVEO-FNORWQNLSA-N 292.290 4.058 30 40 CIEB COc1cc(C(=O)/C=C/c2ccccc2)ccc1Cl 96887966 ASFDGTGORLGSBJ-JXMROGBWSA-N 272.731 4.245 30 40 CIEB CCOc1ccc(/N=C\c2cccc(Cl)c2)c(O)c1 100344934 WTJFTIOKKMIEMU-YVLHZVERSA-N 275.735 4.195 30 40 CIEB CSC1=C(c2ccc(C)s2)/C(=N\C(C)C)C1 104859866 UJTXGIOBHJWVJA-UVTDQMKNSA-N 251.420 4.384 30 40 CIEB COc1ccc([C@H]2C(=O)C(Cl)=C2c2ccccc2)cc1 367464 CBVRXPALIBXOEA-OAHLLOKOSA-N 284.742 4.012 30 40 CIEB C=CCCCCCCCCC(=O)Nc1ccncc1 4661198 IIGUBEXBRRYONE-UHFFFAOYSA-N 260.381 4.327 30 40 CIEB CCCC[C@@H](CC)[C@@H](O)C#Cc1cccc(Cl)c1 95631774 HKWSKUGLUUXABM-ZBFHGGJFSA-N 264.796 4.269 30 40 CIEB Cc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 111911889 LAXSGZOZXFTLFG-UHFFFAOYSA-N 288.162 4.011 30 40 CIEB Cc1cc(/C=N/C2CCCCC2)ccc1N1CCCC1 408854317 CJMNEDWMEDUBIH-XMHGGMMESA-N 270.420 4.347 30 40 CIEB COc1ccc(/C=N/c2cc(C)cc(C)c2)cc1OC 566866 SRKHFFTZSRIMAJ-WOJGMQOQSA-N 269.344 4.071 30 40 CIEB Fc1ccc(N/N=C/c2ccccc2Cl)c(F)c1 4919192 PRJDVLYMQSAIRY-CAOOACKPSA-N 266.678 4.064 30 40 CIEB C=CCn1c(NCc2sccc2C)nc2ccccc21 6752545 FTYGGUDZCGTKDI-UHFFFAOYSA-N 283.400 4.204 30 40 CIEB CC[C@H](C)C[C@@](C)(O)C#Cc1ccc(Cl)c(F)c1 95633358 INRSWNYICCNBIC-NHYWBVRUSA-N 268.759 4.018 30 40 CIEB CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1/N=C/c1ccccc1O 104076369 JSVJFQPVXUXWLF-ARNIERPISA-N 257.377 4.026 30 40 CIEB CCCOc1ccc(N=Cc2ccc(C#N)cc2)cc1 299888385 HFDBZLATHUWSDQ-UHFFFAOYSA-N 264.328 4.098 30 40 CIEB CCc1ccc(/C(C)=N/NCc2ccccc2Cl)cc1 408710574 KPBBAXYUDYIZFA-DEDYPNTBSA-N 286.806 4.416 30 40 CIEB Cc1ccc2c(c1)/C(=N/Nc1ccc(Cl)cc1)C(O)=N2 6672564 QQSYLOPZTYSMSV-UHFFFAOYSA-N 285.734 4.066 30 40 CIEB CC(C)(C#N)c1cccc(OCc2ccccc2)c1 19046064 IHDJVSQFPAEOLY-UHFFFAOYSA-N 251.329 4.067 30 40 CIEB in-vitro C=CC[C@@H](C(=O)OC)c1ccc(OCc2ccccc2)cc1 35977651 DDWHUNXNOLEZGV-GOSISDBHSA-N 296.366 4.098 30 40 CIEB CCCC[C@H](CC)[C@@H](O)C#Cc1ccc(OCC)cc1 95632070 IXXFXKGWMUJSAE-WMZOPIPTSA-N 274.404 4.014 30 40 CIEB COc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1O 100037545 FKDAPSXUUUUFPS-CAOOACKPSA-N 296.153 4.458 30 40 CIEB [O-][N+](=Cc1cccs1)c1cc(Cl)ccc1Cl 390086939 GRCJWHFUEYPCHO-UHFFFAOYSA-N 272.156 4.316 30 40 CIEB COc1ccc(N/C=C2\C(=O)[C@]3(C)CC[C@H]2C3(C)C)cc1 4701276 GGNDKYIEESZQFH-LBONJMQPSA-N 285.387 4.016 30 40 CIEB N#Cc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1 7007772 SEFSGOSVTWCHOP-UHFFFAOYSA-N 291.137 4.117 30 40 CIEB CC(C)c1ccccc1NCc1ccc(C#N)cc1 19907256 LEDZUSCPYNQHTB-UHFFFAOYSA-N 250.345 4.294 30 40 CIEB C=CCOc1ccc(CNc2cccc(C)c2C)cc1 21051696 NUVOIUWAGMICPU-UHFFFAOYSA-N 267.372 4.480 30 40 CIEB N#Cc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 95482923 CRSJDEBLYKFEPB-UDWIEESQSA-N 272.307 4.168 30 40 CIEB FC(F)(F)CCC(F)(F)C(F)(F)C(F)(F)F 103526358 ZCCDIMCOMMCOLK-UHFFFAOYSA-N 266.078 4.162 30 40 CIEB C[C@H](O)c1cccc(/N=C/c2c(O)ccc3ccccc23)c1 169482990 IPHJITFXVDRKEE-DZUMZMOTSA-N 291.350 4.349 30 40 CIEB CCCCCC[C@](C#N)(CCN(C)C)c1ccccc1 1593243 RKDJJLXPCHGPJI-GOSISDBHSA-N 272.436 4.370 30 40 CIEB Fc1c(F)c(F)c2c(c1F)-c1c(F)c(F)c(F)c(F)c1-2 2382393 CQKQSUKECBDFHR-UHFFFAOYSA-N 296.116 4.447 30 40 CIEB 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N#Cc1c2c(c(N=[N+]=[N-])n3c1nc1ccccc13)CCCC2 16953483 PJFWRWSCJTVZGM-UHFFFAOYSA-N 288.314 4.180 30 40 CIEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N/OC(=O)c1ccccc1)C2 100845580 WFHKORUOUZRZQM-TXYXMOQLSA-N 271.360 4.046 30 40 CIEB C(=N\c1ccc2c(c1)Cc1ccccc1-2)\c1cccnc1 104384753 DZPIWTWQZQPCMY-BKUYFWCQSA-N 270.335 4.403 30 40 CIEB Cc1cc(C#N)cc(C)c1OC(=O)c1ccccc1Cl 256051123 HVDJIYLNTCVAAF-UHFFFAOYSA-N 285.730 4.048 30 40 CIEB COc1ccccc1/C=C/C(=O)c1ccccc1Cl 5211055 JGUQGCUHFZPJIU-ZHACJKMWSA-N 272.731 4.245 30 40 CIEB O=C1/C(=C/c2ccoc2)CCC/C1=C\c1ccoc1 30846476 BRMNKVTUUUPNAL-VOMDNODZSA-N 254.285 4.093 30 40 CIEB Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1cccnc1 59270044 CJJXTXKTIWGNJO-BQYQJAHWSA-N 286.400 4.040 30 40 CIEB C/C(=N\c1ccccc1C)c1cc2ccccc2oc1=O 68601562 GIPJCGLJCLQFEC-CPNJWEJPSA-N 277.323 4.242 30 40 CIEB N#Cc1cc(N)c(Cc2ccc(Cl)cc2)n1C1CCCC1 225853260 IWFCGADPRAVGTN-UHFFFAOYSA-N 299.805 4.301 30 40 CIEB Oc1ccccc1/C=N/c1ccc2nc(S)sc2c1 262062 VCTHYSYGTIPTSS-OVCLIPMQSA-N 286.381 4.041 30 40 CIEB C=C[C@](C)(CCC=C(C)C)NC(=O)C(Cl)(Cl)Cl 1766102 OMJPNRPQUNHMOS-LLVKDONJSA-N 298.641 4.164 30 40 CIEB C=CCOc1ccc(CNc2ccc(OCC)cc2)cc1 6319184 JETKTYUJPVZLSB-UHFFFAOYSA-N 283.371 4.262 30 40 CIEB COc1ccc(-c2nc3ccccc3c(C)c2C#N)cc1 15453920 LCVHHHQYUJSHRX-UHFFFAOYSA-N 274.323 4.091 30 40 CIEB CC[C@@H](C)C[C@@](C)(O)C#Cc1cc(C)c(C)cc1C 95633859 YLMYJLWOPIAVIE-ACJLOTCBSA-N 258.405 4.151 30 40 CIEB Cc1cccc(N/C=C/C(=O)c2ccco2)c1Cl 409181285 AOUXUCNCEAFCLZ-BQYQJAHWSA-N 261.708 4.050 30 40 CIEB Cc1cccc(/N=C/c2ccc(O)c(Cl)c2)c1C 409212311 PTLQGJIDBBDBAR-RQZCQDPDSA-N 259.736 4.413 30 40 CIEB Clc1ccc(/C=N/c2ccc3c(c2)OCO3)c(Cl)c1 3189487 GAYUMYWTBBLCIV-REZTVBANSA-N 294.137 4.473 30 40 CIEB Cc1[nH]c2ccccc2c1/C=N/c1ccc([N+](=O)[O-])cc1 4380137 NUYXBWQZOBIXAI-LICLKQGHSA-N 279.299 4.135 30 40 CIEB N#CCOc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 5428956 QOUGWVGHMBVRHX-XCVCLJGOSA-N 297.741 4.138 30 40 CIEB CC(=O)O/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 85346668 HONXZGQSSIDUGL-FRKPEAEDSA-N 298.125 4.150 30 40 CIEB C#CCOc1ccccc1/C=N/c1ccc(C)c(C)c1 409215672 DGTIESJKZWYTGA-CPNJWEJPSA-N 263.340 4.066 30 40 CIEB COc1cccc(/C=N\c2cccc(Cl)c2C)c1 409216774 LLDFTLBNESHHKM-YVLHZVERSA-N 259.736 4.408 30 40 CIEB CCCCCCCCCCCCCCNCCO 8214429 ZUEIVCHBEQAIAL-UHFFFAOYSA-N 257.462 4.269 30 40 CIEB in-man CCCCCCCCCCCCOC(=N)N1CCOCC1 73276339 VLXNAGGKCPWWSK-UHFFFAOYSA-N 298.471 4.191 30 40 CIEB CCCCCCCC(=O)OCCCC[C@H]1CCCO1 100295342 XBXIWKWSAQEVSA-HNNXBMFYSA-N 270.413 4.239 30 40 CIEB Cc1ccc(Cl)cc1/N=C/c1ccc(O)c([N+](=O)[O-])c1 408963048 LXAZXLFNCYIGSR-LZYBPNLTSA-N 290.706 4.013 30 40 CIEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N[C@H](C)c1ccccc1)C2 609861 VLPXYKQCRKJVMZ-AZOIQLNYSA-N 283.415 4.246 30 40 CIEB CCCCCCCCCCn1nc(C)c(N)c1C 3156865 ROVRKZISEWRYHW-UHFFFAOYSA-N 251.418 4.223 30 40 CIEB Cc1ccc(/N=C(\O)c2cc3cc(C)ccc3n2C)cc1 4711987 XYCYNHVAQMJWLA-UHFFFAOYSA-N 278.355 4.431 30 40 CIEB COc1ccc(C(=O)/C=C/c2ccc(C)cc2C)cc1OC 6341211 NKDKZQHJTAETPP-VQHVLOKHSA-N 296.366 4.217 30 40 CIEB Cc1cc(C)c(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc1C 13345242 ADRXDIVPOCJBKW-RMKNXTFCSA-N 294.350 4.206 30 40 CIEB CC(=N/Nc1ccccc1)/N=N/c1ccccc1[N+](=O)[O-] 16979428 XVNRFTXLVLVTBB-IMZVSMLQSA-N 283.291 4.124 30 40 CIEB CCCCCCC(=O)/C=C/c1ccc(OC)cc1OC 17123696 IKCWVBWTVXCHTH-PKNBQFBNSA-N 276.376 4.257 30 40 CIEB CCOc1cccc(/C=C/C(=O)c2ccc(C)cc2)c1 32114442 FSWARVYKQOONQG-FMIVXFBMSA-N 266.340 4.290 30 40 CIEB Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccccc1 33869134 UAHUSGKXDCTRNN-DEDYPNTBSA-N 282.362 4.485 30 40 CIEB CCc1ccc(/C=C/C(=O)c2ccccc2C)cc1 71977141 FPDMWSUGABRRFF-OUKQBFOZSA-N 250.341 4.454 30 40 CIEB N#Cc1c(/N=C/c2cccnc2)sc2c1CCCCC2 503746 VFMDHWDCCUAWMH-YBFXNURJSA-N 281.384 4.034 30 40 CIEB Cc1ccc(NC(=O)Nc2ccccc2C#N)c(Cl)c1 4949053 YQOSRDAENVBDMG-UHFFFAOYSA-N 285.734 4.164 30 40 CIEB Oc1ccccc1/N=C/c1ccc2ccccc2c1O 32101596 POVDEAGJCGXHOK-WOJGMQOQSA-N 263.296 4.002 30 40 CIEB C=C(C)C1(Br)[C@@H]2CC[C@@H]1c1ccccc12 101049705 COOWOWOZWAOTCD-CHWSQXEVSA-N 263.178 4.371 30 40 CIEB COc1ccc(/N=C2/C=C(O)CC(C)(C)C2)c(OC)c1 101436063 HHYOSLRGRCUFEK-BOPFTXTBSA-N 275.348 4.038 30 40 CIEB CC(C)c1ccc(N/C=C2/CCC[C@@H](C)C2=O)cc1 409178221 JPCQGLGZPRPODZ-LKKYZFDUSA-N 257.377 4.495 30 40 CIEB CCCCOCCC(F)(F)C(F)(F)C(F)(F)F 1565659633 MAUCNYGLOUAELA-UHFFFAOYSA-N 270.188 4.026 30 40 CIEB N#Cc1sc2nc(C3CC3)cc(-c3cccs3)c2c1N 556165 NDVKYNZWPLUXTL-UHFFFAOYSA-N 297.408 4.356 30 40 CIEB N#Cc1c(-c2ccc(Br)cc2)ccnc1Cl 41483724 JFOFZUFTEMPTTN-UHFFFAOYSA-N 293.551 4.036 30 40 CIEB CC[C@H](C)C[C@](C)(O)C#Cc1cc(C)c(C)cc1C 95633858 YLMYJLWOPIAVIE-SCLBCKFNSA-N 258.405 4.151 30 40 CIEB CC(C)(CC#N)OC(=O)Nc1ccc(Cl)c(Cl)c1 255189335 PEFPCFFQHXUBMA-UHFFFAOYSA-N 287.146 4.234 30 40 CIEB Cc1c(Cl)cccc1/N=C/c1cc(C)n(C)c1C 408773137 PJFLQBSZUHABMQ-RQZCQDPDSA-N 260.768 4.354 30 40 CIEB Cc1cccc2cc(C#N)c(NCc3ccccc3)nc12 421801 OJDKOEPRGKKYLS-UHFFFAOYSA-N 273.339 4.027 30 40 CIEB CCCCCCCCC(=O)OCc1ccc(O)c(OC)c1 43278596 VSINWHDOHWBJCS-UHFFFAOYSA-N 294.391 4.195 30 40 CIEB CCCN(CC#Cc1ccc(Cl)c(C)c1)CCC 95631703 VXTLUJJGYCUJHU-UHFFFAOYSA-N 263.812 4.122 30 40 CIEB CCOc1ccc(/C=N/c2ccc(Cl)cc2)cc1 100033657 LWLLACRRNDWZJF-GZTJUZNOSA-N 259.736 4.489 30 40 CIEB Cc1oc(/N=C/c2ccc(Cl)cc2)c(C#N)c1C 100174832 WVMURWAMBRNJSU-CAOOACKPSA-N 258.708 4.172 30 40 CIEB N#Cc1c(Cl)ncc(Br)c1-c1ccccc1 256050541 FJWOQJVKPXFEMA-UHFFFAOYSA-N 293.551 4.036 30 40 CIEB C=CCCCOc1ccc(Cl)cc1Br 308454237 IRVMMIIDESWTGS-UHFFFAOYSA-N 275.573 4.448 30 40 CIEB C#CCn1cc(/C=C/C(=O)c2ccccc2)c2ccccc21 408618698 FCIRGRLGFVVNLY-OUKQBFOZSA-N 285.346 4.171 30 40 CIEB N#C[C@@H]1CCC[C@@](c2ccccc2)(C2CCCCC2)C1=O 1564920 FFGUANRCTFBQIS-HNAYVOBHSA-N 281.399 4.397 30 40 CIEB C[C@H](Oc1ccccc1)c1nc2ccccc2n1CCC#N 12547197 CHQRAWGNCBPGJI-AWEZNQCLSA-N 291.354 4.090 30 40 CIEB C[C@@H](Nc1ncccc1C#N)c1ccccc1C(F)(F)F 57142068 FMHXJRJXCRTWDW-SNVBAGLBSA-N 291.276 4.145 30 40 CIEB C=C(c1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C 72207988 HJFKZTFYUYWTGA-HNNXBMFYSA-N 273.376 4.099 30 40 CIEB CCCCCCCC(=O)NCCOc1ccc(Cl)cc1 100284430 UQZQRBLHJJFDLK-UHFFFAOYSA-N 297.826 4.196 30 40 CIEB C[C@H]1CCC/C(=C/Nc2cccc(C(F)(F)F)c2)C1=O 101526171 NPTWWLPYZPDBOX-RGAIUGGKSA-N 283.293 4.390 30 40 CIEB CN1CCC/C1=N\c1cc(C(F)(F)F)ccc1Cl 255189646 RGBNMCCGJYVJAB-GZTJUZNOSA-N 276.689 4.114 30 40 CIEB CCOC(=O)c1ccc(/N=C/c2ccc(Cl)s2)cc1 408967502 STHRYSNBOADMDP-CXUHLZMHSA-N 293.775 4.329 30 40 CIEB Cc1cc(C)c2nc(O)c(/C=N/Cc3ccccc3)cc2c1 2037843399 CCKCJRSVRDUPGY-UDWIEESQSA-N 290.366 4.176 30 40 CIEB COc1ccc(/N=C/c2c(F)cccc2Cl)cc1 361302 IPSHTMGQTVIONY-RQZCQDPDSA-N 263.699 4.238 30 40 CIEB Cc1ccc(O)c(C(=O)/C=C/c2c[nH]c3ccccc23)c1 4393131 JSVPAVFGKLGQGD-VQHVLOKHSA-N 277.323 4.078 30 40 CIEB CN(C)c1ccc(/C=N/c2cncc3ccccc23)cc1 8652403 ZCOMWKRWVAFEFJ-RGVLZGJSSA-N 275.355 4.051 30 40 CIEB CCCC[C@H](CC)[C@@H](O)C#Cc1ccc(Cl)cc1 95631814 LYNYQCHAFSHXJS-HOCLYGCPSA-N 264.796 4.269 30 40 CIEB CCCC[C@@H](CC)[C@@H](O)C#Cc1ccc(OCC)cc1 95632069 IXXFXKGWMUJSAE-AEFFLSMTSA-N 274.404 4.014 30 40 CIEB CCCCOc1ccc(NC(=O)O/N=C(/Cl)CC)cc1 97956076 ILRONMBCAIDEQP-GHRIWEEISA-N 298.770 4.376 30 40 CIEB CC(=O)c1ccc(/N=C/c2ccc(Cl)s2)cc1 408965071 GGKUIAIWPBUUBM-OVCLIPMQSA-N 263.749 4.355 30 40 CIEB COc1ccc(/C=N/c2ccc(C)c(Cl)c2)c(OC)c1 409200401 IBJWNFVRWYOPKB-VCHYOVAHSA-N 289.762 4.416 30 40 CIEB O=C1Nc2ccccc2/C1=N/c1cc(Cl)cc(Cl)c1 95591 AREDEJPEVCJUKC-UHFFFAOYSA-N 291.137 4.066 30 40 CIEB CCCCCCCCCCCNc1ncnc2n[nH]cc12 1718475 AMZPHUQMDMKQOH-UHFFFAOYSA-N 289.427 4.296 30 40 CIEB CC(C)Oc1c(F)c(F)c(C(F)(F)F)c(F)c1F 2525716 WCZLWZSQIHHJJE-UHFFFAOYSA-N 276.151 4.049 30 40 CIEB CCCCCc1cnc(/N=C/c2ccc(C#N)cc2)s1 5792676 APWSYXFQQQBIGY-WOJGMQOQSA-N 283.400 4.498 30 40 CIEB N#Cc1ccc(-c2ccc(Cl)cc2Br)o1 22124397 MORQCZYSKKAZTC-UHFFFAOYSA-N 282.524 4.234 30 40 CIEB CCCC[C@@H](CC)[C@H](O)C#Cc1cc(C)cc(F)c1 95632253 UFGZJRNFLBDSNB-NVXWUHKLSA-N 262.368 4.063 30 40 CIEB COc1ccccc1/C=N\C12CC3CC(CC(C3)C1)C2 104283592 MYAKFRXXXJBNJU-UNOMPAQXSA-N 269.388 4.083 30 40 CIEB CN(C)c1ccc(/C=C/C2=CC(=O)CC(C)(C)C2)cc1 201883273 WBLKBQQPUBCALQ-AATRIKPKSA-N 269.388 4.081 30 40 CIEB Cc1cc(N2CCCC2)ccc1/C=N\c1ccccc1F 408959717 DQPBMHXVFUYCFR-MOSHPQCFSA-N 282.362 4.485 30 40 CIEB COc1ccc(/N=C\c2ccc(Cl)s2)cc1 408967465 RYFMAZOZVZZMLZ-ZSOIEALJSA-N 251.738 4.161 30 40 CIEB CC(C)c1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1 14359456 PKJHGHCFGLRNFO-WOJGMQOQSA-N 298.342 4.269 30 40 CIEB N#Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)nc1 75409556 KWGYYCHLHCGPTM-UHFFFAOYSA-N 299.377 4.160 30 40 CIEB COc1ccc(/C=N\Nc2nc3ccc(C)cc3s2)cc1 95482916 VBZOHKGSGLJOKG-YVLHZVERSA-N 297.383 4.059 30 40 CIEB CN(C)c1ccc(/C=N\c2cncc3ccccc23)cc1 104262731 ZCOMWKRWVAFEFJ-JAIQZWGSSA-N 275.355 4.051 30 40 CIEB CCc1ccccc1N/C=C/C(=O)c1cccc(OC)c1 409061628 YTCKWZXUVRVMGM-VAWYXSNFSA-N 281.355 4.066 30 40 CIEB COc1cccc2c([C@H]3[C@@H](CC#N)C3(C)C)c(C)[nH]c12 4029001 CDGSZIIETZIYDA-IUODEOHRSA-N 268.360 4.138 30 40 CIEB biogenic Fc1ccc(N/C(S)=N\N=C2CCCCCC2)cc1 8578840 OEXXLFXJKWWZAS-UHFFFAOYSA-N 279.384 4.234 30 40 CIEB CCCCCCCC(=O)N1CCc2[nH]c3ccccc3c2C1 59677349 OHDFFYAPSREAIF-UHFFFAOYSA-N 298.430 4.413 30 40 CIEB biogenic C/C(Nc1cccc(O)c1)=C1/Sc2ccccc2C1=O 100094605 UCKLWJOYMDIJSJ-YBEGLDIGSA-N 283.352 4.024 30 40 CIEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N/Nc1ccccc1)C=C2O 100363502 SGPKIYNXUCMLNP-QLYAPRMXSA-N 270.376 4.353 30 40 CIEB N#Cc1ccc(Oc2ncnc3c2oc2ccccc23)cc1 3371299 DCWMBWVPDGOKTO-UHFFFAOYSA-N 287.278 4.040 30 40 CIEB N#Cc1c(/N=C\c2ccc(F)cc2)sc2c1CCCC2 17784237 OTMIDVSQULPYLT-GRSHGNNSSA-N 284.359 4.388 30 40 CIEB N#C[C@@]1(CCC[C@H]2C[C@@H]3C=C[C@@H]2C3)C[C@H]2C=C[C@H]1C2 104065351 IARXVRLPSUMQLG-ZCVDQKGDSA-N 253.389 4.475 30 40 CIEB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C#N)cc1C 3568170 UUCDVMGBRTVHFZ-UHFFFAOYSA-N 284.340 4.235 30 40 CIEB CC/C(=N\Nc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 6210395 NVRHSOUTOJFYQC-DEDYPNTBSA-N 298.777 4.443 30 40 CIEB O=C(/C=C/c1ccc2ncccc2c1)c1cccs1 6815940 AZESYLPILGLOEV-SOFGYWHQSA-N 265.337 4.192 30 40 CIEB C=CCN(CC=C)Cc1c(C)nc2cc(C)cc(C)c2c1O 8717408 PFLWODMFMHWUCA-UHFFFAOYSA-N 296.414 4.040 30 40 CIEB Clc1cccc(/C=N\Nc2nc3ccccc3s2)c1 33903953 JUVJUTPVQMMEEB-SXGWCWSVSA-N 287.775 4.396 30 40 CIEB C=CC[C@H](CCCCCC)NC(=O)OC(C)(C)C 38314042 ZUIKFHYZXOWKBC-CYBMUJFWSA-N 255.402 4.426 30 40 CIEB CC[C@H](C)C[C@](C)(O)C#Cc1ccc(C)c(Cl)c1 95631614 FQUBEVQXHSDUSX-BLLLJJGKSA-N 264.796 4.187 30 40 CIEB COc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 96429704 YKEVZAUFIZLTGV-CXUHLZMHSA-N 290.706 4.007 30 40 CIEB CC(C)(C)NC(=O)/N=C(\c1ccccc1)C(C)(C)C 102311169 WGGQIOSHDCBVHP-GHRIWEEISA-N 260.381 4.030 30 40 CIEB CCCCCCCCCCCC[S@+](C)CC(=O)O 104263018 ZFYRWMIDEHBHFD-GOSISDBHSA-O 275.478 4.240 30 40 CIEB O=C(c1cccc(C(F)(F)F)c1)C(F)(F)C(F)(F)F 228758660 ZZQRVWQGFXAZBN-UHFFFAOYSA-N 292.125 4.086 30 40 CIEB CC(C)(C)c1ccc(Nc2nc3cc(C#N)ccc3[nH]2)cc1 82740559 BQPYYTDDPDJCGA-UHFFFAOYSA-N 290.370 4.476 30 40 CIEB in-vitro COc1ccc(/C=C2\CCCc3ccccc3C2=O)cc1 104206 RVHBOFDLRWNNMW-DTQAZKPQSA-N 278.351 4.298 30 40 CIEB C=CCOc1ccc(CNc2ccc(C)cc2)cc1 6332115 OOJNUNQJKBDKIN-UHFFFAOYSA-N 253.345 4.172 30 40 CIEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1O 8367826 MVRIFWPJKOEIGZ-GIJQJNRQSA-N 289.762 4.422 30 40 CIEB O=C1/C(=C/c2ccccc2)C=C/C1=C\c1ccccc1 17314632 KAWKDYPTDUPFBJ-HBKJEHTGSA-N 258.320 4.293 30 40 CIEB CC(/N=N\c1ccc([N+](=O)[O-])cc1)=N/Nc1ccccc1 100022323 FHIGZTOTTOEVNT-IDWLHPRGSA-N 283.291 4.124 30 40 CIEB COc1ccc(-n2cccc2/C=N/Cc2ccccc2)cc1 144228206 GMSBXDZLJSXULI-HMMYKYKNSA-N 290.366 4.105 30 40 CIEB C[C@H](N[C@@H]1CCC[C@H](C)[C@@H]1C)c1ccc(C#N)cc1 225442113 SMHNKTWBEJEXEW-AYMQEEERSA-N 256.393 4.034 30 40 CIEB COc1ccccc1/C=N/c1sc2c(c1C#N)CCCC2 344587 OSAXXBYMRHIZOE-YBFXNURJSA-N 296.395 4.258 30 40 CIEB CCCCCCCNC(=O)Cc1cccc2ccccc12 1795184 OOCBGSCUZDKKSN-UHFFFAOYSA-N 283.415 4.469 30 40 CIEB CSc1ccc(/C=N/Nc2ccc3ccccc3n2)cc1 4622154 IDMSLNNTVKEYRN-LDADJPATSA-N 293.395 4.403 30 40 CIEB O=C(/C=C(/Br)c1ccccc1)c1ccccc1 5179594 PONNQRHNLOSBRQ-SDNWHVSQSA-N 287.156 4.305 30 40 CIEB CC(=O)[C@@H]1CC[C@H]2[C@H]3CCC4=CC(=O)C[C@]4(C)C3=CC[C@@]21C 6158964 VSKPLBHXQVCXOT-QQBOBMDFSA-N 298.426 4.254 30 40 CIEB C=CCC(=O)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 6855718 DMEYKVRYBYUOHI-UHFFFAOYSA-N 296.301 4.149 30 40 CIEB CC(=O)/C(=C\c1ccc(Cl)cc1)c1ccccc1 17288469 OHUPHNWMLWIYGY-LFIBNONCSA-N 256.732 4.470 30 40 CIEB Cc1ccccc1/C=N/C12CC3CC(CC(C3)C1)C2 18088297 VDECDUYLXXIOJJ-XDHOZWIPSA-N 253.389 4.383 30 40 CIEB O=C(/C=C/c1ccc(O)cc1)CCCCc1ccc(O)cc1 31167467 IHZRLGRBBLFVBQ-JXMROGBWSA-N 296.366 4.093 30 40 CIEB biogenic,in-vitro O=C1/C(=C/c2ccccc2F)CSc2ccccc21 40161569 YXFMYANYMOJAGZ-FMIVXFBMSA-N 270.328 4.198 30 40 CIEB CCC(C)(C)N(CCC#N)Cc1cccc(Cl)c1 97100461 OHNMYUBRWCHKIB-UHFFFAOYSA-N 264.800 4.244 30 40 CIEB CCC(Nc1cccc2ccccc12)=C1C(=O)CCCC1=O 100901032 SDWPWGNLDHGHQZ-UHFFFAOYSA-N 293.366 4.238 30 40 CIEB CN1/C(=N\c2ccccc2)S/C1=N/c1ccccc1 102934333 NELCYIJPKJMGMV-YXLFCKQPSA-N 267.357 4.040 30 40 CIEB COc1ccc(C(=O)/C=C\c2c(F)cccc2Cl)cc1 211747808 SYWPISLYEPCTAP-KTKRTIGZSA-N 290.721 4.384 30 40 CIEB CCOc1cc2c(cc1/C=N\c1ccc(CC)cc1)OCO2 409100747 WJTREYRGSHSEBN-ODLFYWEKSA-N 297.354 4.127 30 40 CIEB CC(C)c1ccc(N/C=C2/CCC[C@H](C)C2=O)cc1 409178231 JPCQGLGZPRPODZ-WZMONFQBSA-N 257.377 4.495 30 40 CIEB O=C(/C=C(/c1ccccc1)N1CCCC1)c1ccccc1 4267549 ZFICNXZIXGRYQB-SDXDJHTJSA-N 277.367 4.006 30 40 CIEB CCOc1ccc(/N=C\C=C\c2ccccc2)c(O)c1 13146951 NZQXFWBMKVCOLP-YKYHQJSKSA-N 267.328 4.207 30 40 CIEB CC1=C[C@](C)(C(Cl)(Cl)Cl)C(C)=C/C1=N/O 16952837 KWZMBIRKWQBTEG-JNNKLVPLSA-N 268.571 4.099 30 40 CIEB CN(C)CCC(/C=C\c1ccccc1)=N\Nc1ccccc1 17194727 DLRHMSSHHRHVEG-PAIRNYBASA-N 293.414 4.120 30 40 CIEB Cc1ccc(/N=C2\CCCN2Cc2ccccc2)c(C#N)c1 18115859 BKKHEKSMXSMSRV-XUTLUUPISA-N 289.382 4.193 30 40 CIEB CSc1nc(Cl)c(C#N)c(-c2cccc(Cl)c2)n1 19651517 VGQOTTOHZKWPEO-UHFFFAOYSA-N 296.182 4.044 30 40 CIEB CCCCCCCCc1ccc(C(/C=N/O)=N\O)cc1 103014000 IRIFOADRRKGQFX-ARGJOIDYSA-N 276.380 4.228 30 40 CIEB C=CCOc1cccc(/C=N\c2ccc(C)cc2)c1 409216502 IPGVDUFFKBHRMO-AQTBWJFISA-N 251.329 4.310 30 40 CIEB Cc1cccc(CN2CCC(C#N)(c3ccccc3)CC2)c1 1203887839 LFOGMFCNLLJSDR-UHFFFAOYSA-N 290.410 4.052 30 40 CIEB CCCCCCCCSC(=O)Nc1ncccn1 1631267 FHKNJODTNVTYSJ-UHFFFAOYSA-N 267.398 4.102 30 40 CIEB O=C(/C=C/c1ccccc1O)c1cccc2ccccc12 6576462 WZDDSECARSIVPZ-OUKQBFOZSA-N 274.319 4.442 30 40 CIEB C=CCn1c(-c2ccccc2)cs/c1=N\C(C)(C)C 13301728 BRDSDLMDBMNKPS-ICFOKQHNSA-N 272.417 4.102 30 40 CIEB C(=N\c1ccc2c(c1)Cc1ccccc1-2)\c1ccccn1 22246803 MWQRCJCBHFELLF-BKUYFWCQSA-N 270.335 4.403 30 40 CIEB in-vitro C(=N/c1nc2c(s1)CCCC2)\c1c[nH]c2ccccc12 30948363 TUROQKBFDULNLK-VCHYOVAHSA-N 281.384 4.254 30 40 CIEB O=[N+]([O-])c1cccc(/N=C\c2cccn2-c2ccccc2)c1 408846937 OGONSLKVKYCOBV-AQTBWJFISA-N 291.310 4.136 30 40 CIEB CCCCCCCCC(=O)OCCC[C@@H]1CCCO1 104259686 LFKPWNSEZVIRRF-HNNXBMFYSA-N 270.413 4.239 30 40 CIEB C=C(Cl)CCc1ccc(OC(F)(F)F)cc1 710661463 CZPDZUWSJORMRL-UHFFFAOYSA-N 250.647 4.270 30 40 CIEB CC(=O)c1cccc(/N=C/c2c[nH]c3ccccc23)c1 271175 VMIMHWUBYZOZFY-VCHYOVAHSA-N 262.312 4.121 30 40 CIEB O=C(/C=C/c1cccs1)c1cc2ccccc2o1 5129472 AWWKBIMUPROEFI-BQYQJAHWSA-N 254.310 4.390 30 40 CIEB Cc1ccc(/N=C/C=C2OC(C)(C)C(C)(C)O2)cc1 13113825 OUAQYQWTAODQIW-GZTJUZNOSA-N 259.349 4.143 30 40 CIEB C#Cc1cccc(NC(=O)Cc2cccc3ccccc23)c1 23359197 AZRKEMMVUGQMGW-UHFFFAOYSA-N 285.346 4.002 30 40 CIEB Cc1ccc(C(=O)/C=C/Nc2ccc(N(C)C)cc2)cc1C 44843941 HFIOTJFCKMOHEQ-VAWYXSNFSA-N 294.398 4.178 30 40 CIEB CC1=C[C@H]2[C@H](C/C1=N\OCc1ccccc1)C2(C)C 100741125 XZSWOBJNYGYMTI-SWTLQDTFSA-N 255.361 4.181 30 40 CIEB CCCOc1ccc(N/C=C/C(=O)c2cccs2)cc1 409354436 FJSWLBYXLQPGKD-MDZDMXLPSA-N 287.384 4.345 30 40 CIEB N#C[C@H]1c2ccccc2C=CN1C(=O)c1cccc(Cl)c1 1718228 CPANCYHVKSCTNU-INIZCTEOSA-N 294.741 4.031 30 40 CIEB Cc1ccc(/C=N/c2sc(C)c(C)c2C#N)c(O)c1 4150672 AQKGTYPWSXBVJN-CAOOACKPSA-N 270.357 4.001 30 40 CIEB O=C1C(O)=C/C(=N\c2cccc(Cl)c2)c2ccccc21 101643020 WNSFGEAHVIIIHA-NBVRZTHBSA-N 283.714 4.099 30 40 CIEB N#Cc1ccc(CN2[C@H]3CC[C@H]2CC(=CC2CC2)C3)cc1 1776008284 BQHRVJVOJQQJGO-OALUTQOASA-N 278.399 4.021 30 40 CIEB CCSc1nc2c(c([C@H]3CC=CCC3)c1C#N)CCC2 35063 JTMQNVBCTBPIJG-LBPRGKRZSA-N 284.428 4.378 30 40 CIEB C=C(C(=O)c1ccccc1)[C@@H](C)CC(=O)c1ccccc1 501365 OOADQCRZDPSFER-AWEZNQCLSA-N 278.351 4.335 30 40 CIEB C=CCN(CC=C)C(=O)c1sc2ccccc2c1Cl 1003653 IAZUFOIFENCBPX-UHFFFAOYSA-N 291.803 4.369 30 40 CIEB CCCCCCCC[P@](=O)(CC(=O)O)c1ccccc1 3099519 FLUXWPQBGCCZTL-FQEVSTJZSA-N 296.347 4.120 30 40 CIEB COc1ccc(C(=O)/C=C/c2cc(C)ccc2C)cc1OC 5129362 HOXHZSYASVNUHY-VQHVLOKHSA-N 296.366 4.217 30 40 CIEB Cc1ccc(/N=C/C2=C(O)C[C@@H](c3ccco3)CC2=O)cc1 5478453 CMIPYAPQINOLIE-OTGIAGGSSA-N 295.338 4.249 30 40 CIEB Clc1ccccc1/C=N/NCc1ccccc1Cl 8811481 DUURFSCQAGKFHO-RQZCQDPDSA-N 279.170 4.117 30 40 CIEB O/N=C\c1cccc(OCc2cccc3ccccc23)c1 11859957 NZILLBFUCDCCLJ-UNOMPAQXSA-N 277.323 4.227 30 40 CIEB CC(C)Cc1nc(C#N)c(NCc2ccc(Cl)cc2)o1 27663500 MSOVESPFNWFKHV-UHFFFAOYSA-N 289.766 4.010 30 40 CIEB CC(=O)/C=C/c1ccc(OCc2ccc(F)cc2)cc1 62153337 CDPLGFWDQFQVOJ-NSCUHMNNSA-N 270.303 4.007 30 40 CIEB CC1=CC=C[C@@H](C(C)(C)C(=O)O)[C@@]1(C)/N=C/c1ccccc1 100002725 NPSRXSABNKSJHU-JUKWODAISA-N 297.398 4.107 30 40 CIEB COc1cc(CC/C(C)=N\O)ccc1OCc1ccccc1 104320687 HGWXUPYYSSQFKD-RGEXLXHISA-N 299.370 4.057 30 40 CIEB COc1ccccc1/C=N/Nc1ccc2ccccc2c1 4064705 NOSSDECDNCJWAK-CPNJWEJPSA-N 276.339 4.294 30 40 CIEB NC(=S)NN=C1CCCCCCCCCCCCC1 35325347 INMLJHJOHYSMOM-UHFFFAOYSA-N 283.485 4.261 30 40 CIEB CC(C/C(C)=N/c1ccccc1O)=Nc1ccccc1O 257345417 VLWWRTKFDAUCMI-MJJWLAMASA-N 282.343 4.373 30 40 CIEB COc1ccccc1N/N=C/c1c(O)ccc2ccccc12 4751071 MGJCCZUBONDLBJ-XDHOZWIPSA-N 292.338 4.000 30 40 CIEB Cn1cc(/C=C/C(=O)c2ccccc2)c2ccccc21 4807131 CILQBPPLINUZPV-VAWYXSNFSA-N 261.324 4.074 30 40 CIEB CCOC(=O)CCCC/C(C)=N/N=C(C(C)C)C(C)C 5048481 KIGUWCGIPNYECD-SAPNQHFASA-N 282.428 4.239 30 40 CIEB C#C[C@](C)(CCC=C(C)C)OC(=O)Nc1ccccc1 5382910 VEUHRHKWAGHIJM-QGZVFWFLSA-N 271.360 4.373 30 40 CIEB C/C(=N\OC(=O)Nc1ccccc1Cl)c1cccs1 5517061 WRSGSTMJKVRHHN-CXUHLZMHSA-N 294.763 4.374 30 40 CIEB Cc1ccc2nc(N/N=C/c3cccs3)sc2c1 6490964 CATQBWGBDRIKBR-RIYZIHGNSA-N 273.386 4.112 30 40 CIEB Cc1c(/C=C2/CCCCC2=O)c2ccccc2n1C 16918534 VDBWOIAYHAXATE-QBFSEMIESA-N 253.345 4.013 30 40 CIEB CC(=O)O/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 85346670 OCWNVNJDJLUQBU-FRKPEAEDSA-N 298.125 4.150 30 40 CIEB CC[C@H](C)C[C@](C)(O)C#Cc1ccc(Cl)c(C)c1 95631664 VCRVBZRNSVSZPL-BLLLJJGKSA-N 264.796 4.187 30 40 CIEB CN(C)c1ccc(/C=N/N=C2\C[C@@H]3CC[C@]2(C)C3(C)C)cc1 103743857 VARLEWUJAPSYLP-UAQVYXCDSA-N 297.446 4.374 30 40 CIEB CSc1ccc(/C=N/c2cccc(C#N)c2)cc1 46033 MHRAZDFCBYQDIC-GZTJUZNOSA-N 252.342 4.031 30 40 CIEB CC(=O)Nc1ccc(/N=C/c2c(C)[nH]c3ccccc23)cc1 62467 NJQCUBCDLPTTNT-YBFXNURJSA-N 291.354 4.185 30 40 CIEB CCC(=O)c1cn(Cc2ccccc2C#N)c2ccccc12 560726 DMVQTGBGUREFAS-UHFFFAOYSA-N 288.350 4.154 30 40 CIEB CCSc1nc(C)cc(-c2ccc(OC)cc2)c1C#N 1439895 XPRIZSGHEACEIL-UHFFFAOYSA-N 284.384 4.049 30 40 CIEB C=CC[C@H]1C=C(Cc2ccccc2)C[C@H](CC=C)N1 4141399 PFOAIMHDKWUDIQ-ROUUACIJSA-N 253.389 4.038 30 40 CIEB CCCCCNc1cc(C)c(C#N)c2nc3ccccc3n12 5164860 XHTGFFZWKNVFTH-UHFFFAOYSA-N 292.386 4.270 30 40 CIEB Cc1ccc(/C=C/C(=O)c2ccc(F)cc2F)c(C)c1 16388268 XKXIFJZGPHJLIM-VMPITWQZSA-N 272.294 4.478 30 40 CIEB N#Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12 216946026 MAQVASDKIRPTRU-UHFFFAOYSA-N 284.721 4.354 30 40 CIEB C(=N\OCc1ccccc1)\c1cccn1-c1ccccc1 408857937 NSGILSONNNTYCW-RGEXLXHISA-N 276.339 4.028 30 40 CIEB CCOc1ccc(N/C(S)=N\c2ccc(F)cc2)cc1 260033 DABXILQPUNXIPA-UHFFFAOYSA-N 290.363 4.254 30 40 CIEB Cc1c(C#N)c2ccccc2n1Cc1ccccc1F 1015399 HAPKWHWTSZECSQ-UHFFFAOYSA-N 264.303 4.009 30 40 CIEB Oc1ccc(Cl)cc1/C=N/c1ccc(Cl)cc1 17427523 XTVTUHAWRXHJTN-LZYBPNLTSA-N 266.127 4.450 30 40 CIEB N#Cc1ccc(Cc2ccco2)n1Cc1ccc(Cl)cc1 226031821 WYVGVFZQJSEWJL-UHFFFAOYSA-N 296.757 4.245 30 40 CIEB CC(C)=NNc1nc(-c2c[nH]c3ccccc23)cs1 495351 YVSQGYZGGGKLQG-UHFFFAOYSA-N 270.361 4.099 30 40 CIEB CCC(CC)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 2745082 NNZHXZIULLTMKX-SNVBAGLBSA-N 290.432 4.119 30 40 CIEB C=CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 8554723 WMDBSOYLWSBAFO-UHFFFAOYSA-N 287.746 4.157 30 40 CIEB COc1ccc2cc(C(=O)/C=C/c3ccco3)ccc2c1 19927119 QRJAJPBPJLEPCJ-CMDGGOBGSA-N 278.307 4.338 30 40 CIEB C[C@@H](Nc1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1 97134569 AXWZCYCEEUUMEA-SNVBAGLBSA-N 291.276 4.145 30 40 CIEB Cc1cc(/C=N/c2cccnc2)c(C)n1-c1ccc(F)cc1 408737943 LAJGRYTVTIFOBN-SRZZPIQSSA-N 293.345 4.379 30 40 CIEB COc1ccc(-n2cccc2/C=N\c2ccccc2F)cc1 408950502 FSJWDGCNSICKIX-MOSHPQCFSA-N 294.329 4.376 30 40 CIEB Cc1ccc(/N=C/c2c(C)[nH]c3ccccc23)cc1[N+](=O)[O-] 68717 QZTDTIXHCSLDBV-VCHYOVAHSA-N 293.326 4.444 30 40 CIEB CC1=C(Sc2ccccc2)C(=O)c2ccccc2C1=O 344106 SUWHTOFNNOUEAD-UHFFFAOYSA-N 280.348 4.132 30 40 CIEB CCO[P@](=O)(C#CC(C)(C)C)[C@](C)(O)c1ccccc1 2318986 NMGFULLYWKQAOP-OXJNMPFZSA-N 294.331 4.173 30 40 CIEB O=C(C1=C(Nc2ccccc2)CCC1)c1ccccc1 4774424 CJJSXGRVGYMFFT-UHFFFAOYSA-N 263.340 4.419 30 40 CIEB C[C@H]1CCCc2sc(NC(=O)c3ccccc3)c(C#N)c21 507970 VHLBUYMJJTUEMR-NSHDSACASA-N 296.395 4.312 30 40 CIEB O=C1C(OCc2ccccc2)=CC/C1=C/c1ccccc1 1711988 SDNLBHFDMVVQTH-LGMDPLHJSA-N 276.335 4.144 30 40 CIEB CCCCCCCNC(=O)c1cccc(Br)c1 3152146 ZZLGKEXWNZADPV-UHFFFAOYSA-N 298.224 4.149 30 40 CIEB O=C(/C=C\c1ccccc1)SC(=O)OCc1ccccc1 4802592 IJBLLKGRSQAKFS-QXMHVHEDSA-N 298.363 4.296 30 40 CIEB CCCCCCCCC(=O)c1cc(O)ccc1O 100297611 UVMLDALNKAEDMK-UHFFFAOYSA-N 250.338 4.031 30 40 CIEB Clc1cc(Cl)cc(/N=C/c2ccncc2)c1 102610599 ORKONBAUXNPRNL-LZYBPNLTSA-N 251.116 4.139 30 40 CIEB CS(C)=N/C(=N/c1ccc(Cl)cc1)c1ccccc1 104204340 XURXCLBRCFERKZ-BMRADRMJSA-N 290.819 4.480 30 40 CIEB C[C@@H]1CCC/C(=C/Nc2cccc(Br)c2)C1=O 409181377 BZPKGAOXTATHQS-QLWWJYNRSA-N 294.192 4.134 30 40 CIEB C=CC[C@@](C)(NCc1ccccc1)c1cccs1 209319 VHBCXXFJEUKQMG-MRXNPFEDSA-N 257.402 4.329 30 40 CIEB Cc1cc(N/N=C/c2cccs2)nc2c(C)cccc12 5006913 WGWCRTJONJUYON-LICLKQGHSA-N 281.384 4.359 30 40 CIEB CN(C)c1ccc(/C=N\c2ccc(Cl)cc2)cc1 18096029 PWFDYJSIDJXQFU-BOPFTXTBSA-N 258.752 4.157 30 40 CIEB C/C(=N\Nc1cc(C)c2ccccc2n1)c1cccs1 24036219 CMYGJKDPVNXUIO-LDADJPATSA-N 281.384 4.441 30 40 CIEB CCCC[C@@H](CC)[C@@H](O)C#Cc1cc(C)cc(F)c1 95632255 UFGZJRNFLBDSNB-WBVHZDCISA-N 262.368 4.063 30 40 CIEB Oc1ccc2ccccc2c1/C=N/Cc1ccc(F)cc1 100248316 FPPMOLUOFBIFLJ-UDWIEESQSA-N 279.314 4.304 30 40 CIEB C=CCCC(=O)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206876982 FIXGDMSRCBVECH-HNNXBMFYSA-N 291.822 4.402 30 40 CIEB C[C@@H](CC(=O)c1ccc(C#N)c(F)c1)CC(C)(C)C 575361953 UXVOHBFTKNKKJS-NSHDSACASA-N 261.340 4.342 30 40 CIEB Cc1ccc(/N=C/c2cc(Cl)ccc2O)c(C)c1 292954 SOUIJJGPQGXSNS-RQZCQDPDSA-N 259.736 4.413 30 40 CIEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(C)=O)c2C#N)C1 483424 KGDFGAMLMQZVAV-LLVKDONJSA-N 290.432 4.119 30 40 CIEB Cc1ccccc1C(=O)O/N=C1/C[C@H]2CC[C@]1(C)C2(C)C 4587837 CHSJIRHCYRXYDD-PWKIQMFUSA-N 285.387 4.354 30 40 CIEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1cc(C)ccc1OC)C2 4810672 JOFNLEMTDIZWSX-LIRRHRJNSA-N 299.414 4.325 30 40 CIEB CCOc1ccc(/N=C\C=C/c2ccccc2)c(O)c1 13146950 NZQXFWBMKVCOLP-KZIJLOKPSA-N 267.328 4.207 30 40 CIEB C=C(Br)Cc1c(C)c(C)cc(C)c1C 71795181 CLVOVVRIDGAPCN-UHFFFAOYSA-N 253.183 4.371 30 40 CIEB C=CCCC[C@H](C(=C)C)S(=O)(=O)c1ccc(C)cc1 2074658 FPJLYBGCJSGIEL-MRXNPFEDSA-N 278.417 4.070 30 40 CIEB COc1ccccc1/C=C/C(=O)c1cccc(Cl)c1 7743234 KCOVOYSMVIXURZ-MDZDMXLPSA-N 272.731 4.245 30 40 CIEB CCOc1ccc(Cl)cc1/C=N/c1cccc(OC)c1 409096734 KWBPCOZYSUMAFH-WOJGMQOQSA-N 289.762 4.498 30 40 CIEB Oc1cccc(/C=N/c2ccc(Cl)c(Cl)c2)c1 65523 JYINDTBBMPPEHS-LZYBPNLTSA-N 266.127 4.450 30 40 CIEB Oc1ccccc1/C=N/c1ccc(OC(F)(F)F)cc1 103021 FWTXMJWTZIVSCY-GIJQJNRQSA-N 281.233 4.041 30 40 CIEB Cc1ccc2[nH]c(=O)c(/C=N/c3ccc(C)c(C)c3)cc2c1 530211 JWRZSLIIPGKCKZ-RGVLZGJSSA-N 290.366 4.204 30 40 CIEB Cc1cccc(-c2nc(C#N)c(N3C[C@@H](C)C[C@H](C)C3)o2)c1 544815 XIEYBVCRXGZMNX-KBPBESRZSA-N 295.386 4.004 30 40 CIEB CCOc1ccc(/C=N/c2ccccc2)cc1Cl 6963973 LCYAGXUQFDAGKV-GZTJUZNOSA-N 259.736 4.489 30 40 CIEB Cc1ccc(-c2nc(C#N)c(N3C[C@@H](C)C[C@@H](C)C3)o2)cc1 18046245 VLQDTLPUUBCVRA-OKILXGFUSA-N 295.386 4.004 30 40 CIEB CCCCCCCC(=O)c1cc(F)ccc1OC 59211592 TWFVEHYERXCJTM-UHFFFAOYSA-N 252.329 4.378 30 40 CIEB CC[C@H]1/C(=N/O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1 103557636 KELKCHCDSYUMCO-TUSZLCGBSA-N 294.398 4.319 30 40 CIEB O/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 103851897 IBTFSZSGYKBBGA-CAOOACKPSA-N 296.153 4.381 30 40 CIEB Cc1cc2c(cc1C#N)[C@H](C)CC(C)(C)N2C(C)C 223775354 SNFUSJSDBLDTQR-CYBMUJFWSA-N 256.393 4.367 30 40 CIEB Cc1ccc(Oc2c(N)cc(C#N)n2C2CCCC2)cc1C 225885660 IGDQHCNLMGDDIQ-UHFFFAOYSA-N 295.386 4.466 30 40 CIEB C=CCOc1ccc(CNc2cccc(C)c2C)cc1OC 237278292 JTCBNIVGAQMGOY-UHFFFAOYSA-N 297.398 4.489 30 40 CIEB CC[C@@H](C(=O)c1cccc(F)c1C#N)c1ccccc1 575361807 MMXFQUBKYBEKJV-CYBMUJFWSA-N 267.303 4.074 30 40 CIEB CC1=NN([C@@H](C#N)c2ccccc2)[C@@H](c2ccccc2)C1 4125511 HGBQDGFEQHUTSS-MSOLQXFVSA-N 275.355 4.074 30 40 CIEB C=CCSc1ccccc1NC(=O)c1ccccc1 15818773 DSDHLULSFDYYFP-UHFFFAOYSA-N 269.369 4.217 30 40 CIEB N#Cc1c(-c2ccccc2Br)ccnc1Cl 41483725 IJZMLRCMSPFCLF-UHFFFAOYSA-N 293.551 4.036 30 40 CIEB CCCCCCCC(=O)c1ccc(OC)c(F)c1 59272167 ROHOTTKNESXIGC-UHFFFAOYSA-N 252.329 4.378 30 40 CIEB CCCCCC[C@](C)(O)C#Cc1ccc(F)c(F)c1 95631865 BRZMORWDGNTJQW-INIZCTEOSA-N 266.331 4.038 30 40 CIEB Cc1[nH]c2ccccc2c1/C=N/c1cc([N+](=O)[O-])ccc1F 588178 CKIVVBPHBVMVAB-GIJQJNRQSA-N 297.289 4.274 30 40 CIEB O=C(/C=C/c1ccccc1)c1ccc2c(c1)OCCCC2 5946235 UUVBSPYINWHYAZ-FMIVXFBMSA-N 278.351 4.298 30 40 CIEB Cc1cccc(/N=C2\SCC(=O)N2c2cccc(C)c2)c1 12462715 DJFUIYLGWKSTLM-ZCXUNETKSA-N 296.395 4.071 30 40 CIEB CCOC(=O)Nc1ccc(C(=O)/C=C/c2ccccc2)cc1 13123392 VOVUAZLJXBOTCE-MDWZMJQESA-N 295.338 4.151 30 40 CIEB CCCCCCCOc1ccc(/C(C)=N/OC)cc1 97983496 CGNUEXXTWCOIHF-SAPNQHFASA-N 263.381 4.406 30 40 CIEB COc1cc(C)c(/C=N/c2ccc(F)c(C)c2)cc1OC 408549286 RYZLAIWDTZIJSC-VXLYETTFSA-N 287.334 4.210 30 40 CIEB COc1ccc(Nc2oc(-c3cccs3)nc2C#N)cc1 544704 MZSOJYOJJGGDCM-UHFFFAOYSA-N 297.339 4.027 30 40 CIEB CCCCOP(=O)(OCCCC)O[C@H](C#N)CCC 1732783 KWULWOZTURJEDW-ZDUSSCGKSA-N 291.328 4.437 30 40 CIEB C=CCn1c(-c2ccc(Cl)cc2)c[nH]c1=S 6498509 RVZDYGLPPSNPAP-UHFFFAOYSA-N 250.754 4.052 30 40 CIEB C=CCn1c(SC/C=C/c2ccccc2)nnc1C1CC1 40159103 SAMPYDGRJPRPNI-RMKNXTFCSA-N 297.427 4.147 30 40 CIEB Cc1cc(F)ccc1/N=C/c1cc(Cl)ccc1O 100037457 FKEHPNLXTDDAPD-CAOOACKPSA-N 263.699 4.244 30 40 CIEB N#CCc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 1059814 OTULWYZXASTXII-UHFFFAOYSA-N 285.734 4.050 30 40 CIEB COc1ccc(C(=O)ON(c2ccccc2)C(C)(C)C)cc1 1869991 IGQNOITWMZZXGD-UHFFFAOYSA-N 299.370 4.072 30 40 CIEB C=C(C)CSc1cc(C)c(C#N)c2nc3ccccc3n12 2707706 DJKFKHCKHGOROV-UHFFFAOYSA-N 293.395 4.336 30 40 CIEB FC(F)Oc1ccc(/N=C/c2cccs2)cc1 3239402 PFLCCEYWNSRQCX-OVCLIPMQSA-N 253.273 4.100 30 40 CIEB Clc1ccc(/C=N\N=C\c2ccco2)c(Cl)c1 5030344 CKJXBXRIJBSWIE-BSHIDLADSA-N 267.115 4.039 30 40 CIEB CC(C)(C)c1ccc(-c2nnc(SCCC#N)o2)cc1 7161037 DDBAROQDVIPJGW-UHFFFAOYSA-N 287.388 4.040 30 40 CIEB C[C@@H](/N=C\c1ccccc1O)C12CC3CC(CC(C3)C1)C2 17282127 VGXYFBFCYMQCEO-OVCJEFGVSA-N 283.415 4.416 30 40 CIEB CCCCOP(=O)(/N=C/OC(C)C)OCCCC 17379873 AHMIIGMAQLWFDQ-ACCUITESSA-N 279.317 4.181 30 40 CIEB CCCCCC[C@@](C)(O)C#Cc1cc(C)cc(F)c1 95632275 BTQSYSODGVRDIQ-QGZVFWFLSA-N 262.368 4.207 30 40 CIEB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Nc1ccc(C(C)=O)cc1)C2 100749526 GZRSFDHLYNQBBT-HNAYVOBHSA-N 297.398 4.210 30 40 CIEB biogenic CCOc1cccc(/N=C\c2ccc(N3CCCC3)o2)c1 408856398 IFDXGUMNPLKBOU-AQTBWJFISA-N 284.359 4.029 30 40 CIEB Fc1ccc(/N=C/c2ccc(N3CCCC3)cc2)cc1 408961364 SDEIHLJPTNFVJD-CPNJWEJPSA-N 268.335 4.177 30 40 CIEB C#CCOc1ccc(CNc2ccc(C)c(Cl)c2)cc1 409111649 DJSCZCLHPRWYIP-UHFFFAOYSA-N 285.774 4.273 30 40 CIEB COc1ccc(C)cc1N/C(C)=C/C(=O)c1ccc(C)o1 409364847 NAKJLBHHGXZQIE-ZRDIBKRKSA-N 285.343 4.104 30 40 CIEB N#Cc1cccc(/N=C/c2ccc(Br)cc2)c1 65698 YQWHGEOMLSQVPQ-LICLKQGHSA-N 285.144 4.071 30 40 CIEB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C#N)(C4)C2)C3)cc1 1467684 UODLMKRYKAWVCJ-BXXOZEPKSA-N 251.373 4.357 30 40 CIEB CCCC/N=C(/S)NN(c1ccccc1)c1ccccc1 13479187 HUAUEHAQZCADIY-UHFFFAOYSA-N 299.443 4.415 30 40 CIEB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@]21CO1 33792514 PJSPSVNEDZUBIG-LTFXXXRZSA-N 284.399 4.017 30 40 CIEB C=CCc1cc(CNc2ccc(C)cc2)cc(OC)c1O 76274788 FVWUABQQPRYNPV-UHFFFAOYSA-N 283.371 4.050 30 40 CIEB O=[P+](OCc1ccccc1)OCc1ccccc1 98044842 RQKYHDHLEMEVDR-UHFFFAOYSA-N 261.237 4.077 30 40 CIEB C=C(C)[C@H]1CC=C(C)/C(=N/Nc2ccccc2[N+](=O)[O-])C1 100004489 BLJLQRKYWHELPR-BWVAZPDUSA-N 285.347 4.295 30 40 CIEB Cc1cc(C)cc(/N=C2/C=C(O)C(=O)c3ccccc32)c1 101643075 PBOJMICHYINCRS-MNDPQUGUSA-N 277.323 4.062 30 40 CIEB N#Cc1cc(-c2cc(C(F)(F)F)ccc2Cl)ccn1 117576025 XCRDBOZYNQOVCB-UHFFFAOYSA-N 282.652 4.292 30 40 CIEB O=C(/C=C\c1c(O)ccc2ccccc12)c1ccccc1 5722868 BULMFFWOBSTTTQ-QBFSEMIESA-N 274.319 4.442 30 40 CIEB CC(C)c1nc(Cl)c(C#N)c2c1CCCCCC2 95098102 XPKYEHJEAQHLIQ-UHFFFAOYSA-N 262.784 4.389 30 40 CIEB O/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101569152 GSXJLSMQRIQJBH-IUXPMGMMSA-N 296.153 4.381 30 40 CIEB Cc1c(Cl)cccc1/N=C/c1ccc(C#N)cc1 65183 ITNGKXDMLATQBF-VCHYOVAHSA-N 254.720 4.271 30 40 CIEB FC(F)(F)Oc1ccccc1C/N=C/c1ccccc1 165253 PNKOCCHJMNFZOO-VXLYETTFSA-N 279.261 4.204 30 40 CIEB C=CCOc1ccc2cc(Br)ccc2c1 1705773 PFJRUTWTMVNJPA-UHFFFAOYSA-N 263.134 4.167 30 40 CIEB N#Cc1ccsc1NC(=S)Nc1ccc(Cl)cc1 5674763 RUAOXMAKSLSTSH-UHFFFAOYSA-N 293.804 4.082 30 40 CIEB CC(C)C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1 7037007 UYOIQVHUIXHHLG-SFHVURJKSA-N 292.382 4.075 30 40 CIEB CN1/C(=C\C(=O)c2cccs2)Sc2ccccc21 100481951 JMBZNSQGQKVUPF-NTEUORMPSA-N 273.382 4.014 30 40 CIEB COc1cc(C)c(/C=N\c2ccc(C)cc2C)cc1OC 408548908 NETFYKJOGAYYNS-ODLFYWEKSA-N 283.371 4.380 30 40 CIEB O=[N+]([O-])c1ccc(F)c(/N=C/c2ccc(Cl)cc2)c1 273838 YIPWLSYMJNIFIQ-LZYBPNLTSA-N 278.670 4.138 30 40 CIEB O=[N+]([O-])c1ccc(F)c(/N=C/c2ccccc2Cl)c1 273840 JBYUJIWBIYJPSJ-LZYBPNLTSA-N 278.670 4.138 30 40 CIEB COc1ccc(Cl)cc1C(=O)/C=C/c1cccs1 7332580 JUBZZHVQWOPEMD-AATRIKPKSA-N 278.760 4.306 30 40 CIEB O=C(/C=C/c1cccs1)c1cccc(Br)c1 13140770 ULPFGYBQXYIQTK-VOTSOKGWSA-N 293.185 4.407 30 40 CIEB COc1ccc(/N=C(\c2ccccc2)c2ccncc2)cc1 102115272 PLUSZVKRTWWPAS-XUTLUUPISA-N 288.350 4.259 30 40 CIEB Cc1cc(C)c(C#N)c(SCc2nc3ccccc3o2)n1 8165011 BSMKRWADEZYITO-UHFFFAOYSA-N 295.367 4.004 30 40 CIEB C=CC(C)(C)c1cc2cc(CC=C(C)C)c(O)cc2oc1=O 15263540 HEPYYVMIJBDNIM-UHFFFAOYSA-N 298.382 4.471 30 40 CIEB endogenous,in-man C=C(C)C(=O)Oc1c2ccccc2cc2ccccc12 87024 OZFRHFIPBWCCMP-UHFFFAOYSA-N 262.308 4.475 30 40 CIEB in-vitro C[C@H]1CCc2c(sc(/N=C/c3ccccc3)c2C#N)C1 295566 UBECEFYTRNVPQQ-MKFNJMOCSA-N 280.396 4.495 30 40 CIEB CC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccccc1 346693 LOLCMVVLVVXJSJ-MAUKXSAKSA-N 296.391 4.093 30 40 CIEB CC(C)/N=C(/Nc1ccc(Cl)cc1)c1cccnc1 1385549 NPBJOTYNAIDZFU-UHFFFAOYSA-N 273.767 4.002 30 40 CIEB C[C@@H](C/C=N/Nc1nc2ccccc2[nH]1)c1ccccc1 5022189 AEBFMYLGKZMGMM-HTMJNSLASA-N 278.359 4.154 30 40 CIEB Cc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(N)n2)cc1 19841849 KMQVQICHXNTVDC-UHFFFAOYSA-N 299.377 4.486 30 40 CIEB N#Cc1cc(N)ccc1Nc1cccc2ccccc12 20135126 FBONWKKPVYQQIN-UHFFFAOYSA-N 259.312 4.037 30 40 CIEB CCCCCCCCn1c([C@H](C)O)nc2ccccc21 50704822 DMQLYQJQAGIUMZ-AWEZNQCLSA-N 274.408 4.450 30 40 CIEB Cc1ccc(NC2(C#N)C3CC4CC(C3)CC2C4)cc1 55026448 OHFCYUJFKAKSAY-UHFFFAOYSA-N 266.388 4.125 30 40 CIEB Cc1cc(O)ccc1/N=C/c1c(O)ccc2ccccc12 409090040 OFPOXVJJLYQKHG-YBFXNURJSA-N 277.323 4.310 30 40 CIEB N#Cc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 263519 WLDDLWKLCXUBRR-UHFFFAOYSA-N 298.345 4.062 30 40 CIEB CC1=C(SCc2ccccc2)C(=O)c2ccccc2C1=O 344109 DVPALWYMAIMQJF-UHFFFAOYSA-N 294.375 4.273 30 40 CIEB CCOc1ccc(/C=N/c2cc(C)ccc2C)cc1OC 6964096 NWBTUUWYBILTCJ-XDHOZWIPSA-N 283.371 4.461 30 40 CIEB C=CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1 8492470 RPUXTPQMFSKOSR-UHFFFAOYSA-N 281.355 4.066 30 40 CIEB Fc1ccc(/C=N/C23CC4CC(CC(C4)C2)C3)cc1 18087359 VRSTXEAKHMWZHJ-YBFXNURJSA-N 257.352 4.213 30 40 CIEB CC(C)c1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1 35298558 VCTZPTPQHHPHIT-UHFFFAOYSA-N 291.398 4.205 30 40 CIEB Cc1cc(/N=C/c2cc(C)c(O)c(C)c2)ccc1F 106171024 MATOUHRBEUYPRR-GIJQJNRQSA-N 257.308 4.207 30 40 CIEB C/C(=N\c1nc(C)c(C)s1)c1cc2ccccc2oc1=O 5533733 XSEIPLPBYMUDGF-VCHYOVAHSA-N 298.367 4.007 30 40 CIEB Cc1cc(C)c2c(C#N)cn(-c3ccccc3Cl)c2n1 13283866 GXAUFPPLDCSHPI-UHFFFAOYSA-N 281.746 4.167 30 40 CIEB CCCCC[C@H](CN(C)C)C(=O)/C=C\c1ccc(C)cc1 17127556 LITJQCLCLXFLBN-SWNWVQGVSA-N 287.447 4.335 30 40 CIEB C#Cc1cccc(NCc2cccc(Br)c2)c1 19876795 GOKXBUROVLRCTB-UHFFFAOYSA-N 286.172 4.043 30 40 CIEB CCOc1ccc(C/N=C/c2cc(Cl)ccc2O)cc1 44835571 UFLYJZSPANYCMF-WOJGMQOQSA-N 289.762 4.063 30 40 CIEB C=CCOC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 58800994 HXUSCKUEAIGHPI-JLHYYAGUSA-N 294.350 4.008 30 40 CIEB CCc1ccc(N/C=C/C(=O)c2ccc(F)cc2)cc1 409061734 GXLATUCMUNLNSG-VAWYXSNFSA-N 269.319 4.197 30 40 CIEB COc1ccc2ccccc2c1/C=N/c1cccc(O)c1 66132 RWMOWHUPSZGGIN-XDHOZWIPSA-N 277.323 4.305 30 40 CIEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1O 583295 FNSNKLLNFVUYCB-GIJQJNRQSA-N 289.762 4.422 30 40 CIEB Clc1[nH]c(-c2ccccc2)nc1/C=N/C1CCCCC1 1405857 XENWJGABWGLCKL-WOJGMQOQSA-N 287.794 4.482 30 40 CIEB C=CCOc1ccc2c(C)c(CCCC)c(=O)oc2c1C 2180710 GXNQRCGFIGHNNX-UHFFFAOYSA-N 286.371 4.317 30 40 CIEB CC/C(=N\Nc1ccc(Cl)nn1)c1cccc(Cl)c1 20757090 YKBZIAZPMILQBS-LFIBNONCSA-N 295.173 4.010 30 40 CIEB CCCCS[C@](C)(C/C(=N/O)C1CC1)C1CC1 40166295 WPNOODHTUMBAPP-JNINTMOKSA-N 255.427 4.319 30 40 CIEB CC[C@H](C)C[C@@](C)(O)C#Cc1ccc(F)c(Cl)c1 95632850 JWBVAFSKNTUZMI-NHYWBVRUSA-N 268.759 4.018 30 40 CIEB C/C(=N\O)c1ccc(/N=N\c2ccc(N(C)C)cc2)cc1 104364306 PAYHQBXWKKHYKV-GVCMXSIQSA-N 282.347 4.366 30 40 CIEB CN(C)c1ccc(/N=C/c2ccc(N3CCCC3)cc2)cc1 1096913 IHQLMUYQLUWSMS-HMMYKYKNSA-N 293.414 4.103 30 40 CIEB C/C(=N\OC(=O)C1CC1)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 1405825 CRIHZXSTKMBSDC-JQXMUZPYSA-N 285.387 4.243 30 40 CIEB C=C(C)/C(=N\c1ccc(Cl)c(Cl)c1)N(C)C 16989783 DZCJHXLWOJDFAK-NTCAYCPXSA-N 257.164 4.161 30 40 CIEB Cc1ccc(Nc2c(C#N)c(C)nn2-c2ccccc2)cc1 26780193 BBSRMFJCVFLIIJ-UHFFFAOYSA-N 288.354 4.104 30 40 CIEB CCCCCCCCCCCOC(=O)CC(C)=O 100075253 BVKRJXBHRPRZCL-UHFFFAOYSA-N 256.386 4.040 30 40 CIEB Cc1ccc(Cl)cc1/N=C/c1ccc2c(c1)OCO2 2160306 OAGYLBUTCPSOMI-CAOOACKPSA-N 273.719 4.128 30 40 CIEB CSc1ccc(/C=N/Nc2nc3ccccc3s2)cc1 4419354 LIRGRMZIIQFKIN-MHWRWJLKSA-N 299.424 4.464 30 40 CIEB C=C(C)[C@@H]1CC=C(C)/C(=N\Nc2ccccc2[N+](=O)[O-])C1 12403564 BLJLQRKYWHELPR-ZLMULJHYSA-N 285.347 4.295 30 40 CIEB CCOc1ccc(/N=C/c2cccc(Cl)c2)c(O)c1 18143289 WTJFTIOKKMIEMU-LICLKQGHSA-N 275.735 4.195 30 40 CIEB N#Cc1cccc(CNc2cccc3c2CCCC3)c1 19906187 WQQJNWWEIZCMIE-UHFFFAOYSA-N 262.356 4.049 30 40 CIEB C=C(Cl)[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)F 95671241 IXGYNVBCCZVDNX-VKHMYHEASA-N 280.517 4.207 30 40 CIEB C=CC[Si](CC=C)(CC=C)CCCOC(=O)C=C 504630952 USYPGKGDLDNTGH-UHFFFAOYSA-N 264.441 4.113 30 40 CIEB Fc1ccc(/C=N/c2ccc(Br)cc2)cc1 571264 KGJDVCSCEDMUTG-CXUHLZMHSA-N 278.124 4.339 30 40 CIEB C/C(=N/Nc1nc2ccccc2n1C)c1ccc(C)c(C)c1 7343424 LLFIALLRJZCLQF-ZHZULCJRSA-N 292.386 4.026 30 40 CIEB COc1cccc(/N=C/c2cccn2-c2ccccc2)c1 59679510 RDABXBRWRQWCJY-XMHGGMMESA-N 276.339 4.237 30 40 CIEB CCCCCCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12 70670022 BPIODMZQXSFQCA-DLBZAZTESA-N 295.467 4.155 30 40 CIEB biogenic CCc1ccc(C(=O)/C=C/Nc2ccccc2C)cc1 409103806 ZBYSNMKEVOJUAA-OUKQBFOZSA-N 265.356 4.366 30 40 CIEB C[C@@H]1CCc2cccc3c2N1c1cc(C#N)c(C#N)cc1O3 34398 JCYACCBTORWINZ-LLVKDONJSA-N 287.322 4.008 30 40 CIEB aggregator Cc1ccc(C2=C/C(=N/c3ccc(Cl)cc3)C(=O)O2)cc1 1439989 OMFLCTXQNQOUDZ-CYVLTUHYSA-N 297.741 4.319 30 40 CIEB N#Cc1cccc(CSc2nc3ccccc3s2)c1 3596418 RIWNRRVILUVLCL-UHFFFAOYSA-N 282.393 4.460 30 40 CIEB CCOc1cccc(/C=N/c2cccc(SC)c2)c1O 5286783 RAWWXQIDMIZMEJ-GZTJUZNOSA-N 287.384 4.263 30 40 CIEB CC(C)(C)c1ccccc1NC(=O)c1ccc(C#N)cc1 5443259 SOJFMOGMHMPKSS-UHFFFAOYSA-N 278.355 4.108 30 40 CIEB CCCCCCCCCCCCN1C[C@@H](C)OCC1=O 68564794 ZHICMDABZQWGEC-MRXNPFEDSA-N 283.456 4.155 30 40 CIEB CC(C)c1nnc(CSc2ccc(C#N)cc2Cl)o1 95437152 SGDZFAITXHCVRL-UHFFFAOYSA-N 293.779 4.010 30 40 CIEB CCCCc1ccc(C#C[C@](C)(O)c2ccccc2)cc1 95633284 OCDYZFGZEFLKAL-FQEVSTJZSA-N 278.395 4.288 30 40 CIEB COc1ccc(/C=N/c2c(C)cccc2C)cc1OC 103751298 GLZOUOKFUDOPLU-WOJGMQOQSA-N 269.344 4.071 30 40 CIEB FC(F)(F)c1cccc(/N=C\c2ccc3c(c2)OCO3)c1 104127399 QMRSQQBLRLTVPR-UWVJOHFNSA-N 293.244 4.185 30 40 CIEB CCCCCCCNCc1cnn(C2CCCC2)c1 256053416 RJWBALDAIWSNGE-UHFFFAOYSA-N 263.429 4.058 30 40 CIEB CCn1c(N/N=C/c2cccc(Cl)c2)nc2ccccc21 408692914 YHSJGCKBCMKQGQ-WOJGMQOQSA-N 298.777 4.156 30 40 CIEB O=C(/C=C/c1ccccc1)c1cc(F)c(F)cc1F 575362276 CTBDNPWDXAFWSP-VOTSOKGWSA-N 262.230 4.000 30 40 CIEB O/N=C(\Cc1ccccc1)c1ccc2ccccc2c1 4701195 LPZSJXLQHQUXOE-VHEBQXMUSA-N 261.324 4.261 30 40 CIEB CCN(CC)c1ccc(/C=C\C(=O)c2ccccc2)cc1 5011998 RONYJXRSTBQEDW-QINSGFPZSA-N 279.383 4.429 30 40 CIEB Cc1ccc(OCc2ccc(C#N)cc2)c2c1[C@@H](C)CC2=O 11052199 RMPWTWXSJONHKN-ZDUSSCGKSA-N 291.350 4.136 30 40 CIEB CN(Cc1ccc(C#N)cc1)[C@@H]1CCCc2ccccc21 15261607 SOYXYRYXPBPZPB-LJQANCHMSA-N 276.383 4.068 30 40 CIEB N/N=C1/CCCc2c1[nH]c1ccc(C3CCCCC3)cc21 75260367 PSOLFFUAWYTXCP-FXBPSFAMSA-N 281.403 4.215 30 40 CIEB CCCN(CC#Cc1ccc(OC(C)(C)C)cc1)CCC 95631459 FLNZOGYJQBTHIO-UHFFFAOYSA-N 287.447 4.337 30 40 CIEB CCn1c(CCCC#N)nc2cc(Cl)c(Cl)cc21 225295766 MQPUVYOIJJYEKG-UHFFFAOYSA-N 282.174 4.209 30 40 CIEB N#Cc1c(Cl)ncc(Cl)c1-c1cccc(F)c1 256053795 SWUFNTXCCYLCMU-UHFFFAOYSA-N 267.090 4.066 30 40 CIEB COc1ccc(/C(O)=C\C=N/c2ccc(Cl)cn2)cc1 408718343 SUTGPMQFVBYVFE-WFKMGLFHSA-N 288.734 4.045 30 40 CIEB CCOc1ccc(Cl)cc1/C=N/c1ccccc1 409099621 OUVVYRXDILLKPK-GZTJUZNOSA-N 259.736 4.489 30 40 CIEB CCC/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 4550506 DIMFFMBAKGXAHX-FBMGVBCBSA-N 283.331 4.211 30 40 CIEB CCCOc1c(Br)cc(C(C)(C)C)cc1C#N 225292517 CKESFVOLGIBVDI-UHFFFAOYSA-N 296.208 4.407 30 40 CIEB CCCCCCCOc1ccc(C(C)=O)c(F)c1 2512281 WZFGDZVTIZWPCV-UHFFFAOYSA-N 252.329 4.378 30 40 CIEB CCC(CC)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 2745081 NNZHXZIULLTMKX-JTQLQIEISA-N 290.432 4.119 30 40 CIEB CCOc1cccc(/C=N/c2ccc3c(c2)CCC3)c1O 5288965 JLVWHWSPJGSBKU-XDHOZWIPSA-N 281.355 4.030 30 40 CIEB C=CCN(C(=O)Nc1ccc(C)cc1)c1ccccc1 6814602 PBPFUSRDMMWGIU-UHFFFAOYSA-N 266.344 4.220 30 40 CIEB C#CCOc1ccccc1/C=N/c1cc(C)ccc1C 8368177 PTUWSICFJBDUNI-CPNJWEJPSA-N 263.340 4.066 30 40 CIEB C=CCOc1ccc(NC(=S)Nc2ccccc2)cc1 8554758 WPXDJAQOVLGPBU-UHFFFAOYSA-N 284.384 4.060 30 40 CIEB Clc1ccccc1/C=N\N=C/c1ccccc1Cl 16891574 WQRRWZFEJAGOIY-XFQWXJFMSA-N 277.154 4.446 30 40 CIEB CC(C)(C)[C@H](NC(=O)c1cccc(C#N)c1)c1cccs1 40089726 XHDNUYZUVGZNJN-OAHLLOKOSA-N 298.411 4.137 30 40 CIEB Cc1ccc(C(=O)/C=C/c2c(F)cccc2Cl)o1 71977226 FFUOXEJYTSULCK-VOTSOKGWSA-N 264.683 4.277 30 40 CIEB CC(C)/C(=N/Nc1nc2ccccc2n1C)c1ccccc1 408649280 CZQURJCYUDDIKM-JZJYNLBNSA-N 292.386 4.046 30 40 CIEB C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccnc2)c1 286230 FBVUFABWLQVUFJ-UHFFFAOYSA-N 295.386 4.172 30 40 CIEB CC(=O)/C=C/c1ccccc1Oc1ccc(F)c(F)c1 1389790 FXVAEMUGIDZNDG-VOTSOKGWSA-N 274.266 4.359 30 40 CIEB CC(=O)[C@H]1CC=C2[C@H]3CCC4=CC(=O)C[C@@]4(C)[C@@H]3CC[C@]21C 8617485 HXWUFSAWLIMZRZ-CVYSASLGSA-N 298.426 4.254 30 40 CIEB N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1NC1CCCC1 96346461 OSUALGIRKBEKRA-GJZGRUSLSA-N 293.370 4.172 30 40 CIEB C/C(=C\C(=O)c1ccc(C)o1)Nc1ccc(C)cc1 409354545 HICGEBVGDSFEDY-ZRDIBKRKSA-N 255.317 4.095 30 40 CIEB O=C(/C=C/c1ccco1)c1cc(Cl)cc(Cl)c1O 4280566 MIKNUQMCCASJTD-ONEGZZNKSA-N 283.110 4.188 30 40 CIEB Oc1ccccc1/C=N/Nc1ccc(Cl)c(Cl)c1 4647057 NYSWVGWHLUIFLR-LZYBPNLTSA-N 281.142 4.145 30 40 CIEB COc1cc(C#N)cc(Cl)c1OCc1ccc(C)cc1 6126816 ABVKNSIAKBFMRA-UHFFFAOYSA-N 287.746 4.108 30 40 CIEB C/C(=N\Nc1ccccc1Cl)c1cnc2ccccc2n1 16137206 MNCLIJXBRLBRKV-RGVLZGJSSA-N 296.761 4.119 30 40 CIEB O=C1/C(=C\c2cccnc2)CSc2ccc(Cl)cc21 96930483 IXYOAYIUCGYWLP-WDZFZDKYSA-N 287.771 4.107 30 40 CIEB CCC(CC)c1nc(C#N)c(NCc2ccccc2)o1 352094 MCHBUMXYLHNOBH-UHFFFAOYSA-N 269.348 4.062 30 40 CIEB COc1ccc(Nc2nc3cc(C)ccc3cc2C#N)cc1 422292 GJZVMGGKRBPZKA-UHFFFAOYSA-N 289.338 4.167 30 40 CIEB CCc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1 7744424 SOEAQUZKKMZQEK-PKNBQFBNSA-N 296.366 4.162 30 40 CIEB COc1ccc(/C=C2\Sc3ccccc3C2=O)cc1OC 13305200 KBGWHBAADBRVPN-YBEGLDIGSA-N 298.363 4.033 30 40 CIEB CCCCCCCc1c(C)[nH]c2cc(OC)ccc2c1=O 48307290 BCZRFDKLLBFOHJ-UHFFFAOYSA-N 287.403 4.358 30 40 CIEB COc1ccc(/C=C2/C(=O)[C@@]3(C)CC[C@H]2C3(C)C)cc1 100903072 NUXVNHVEMUEEND-DEANOFPJSA-N 270.372 4.104 30 40 CIEB CCOc1ccc(Cl)c2sc(NN=C(C)C)nc12 216877803 WDOMIQNUHLPHDI-UHFFFAOYSA-N 283.784 4.156 30 40 CIEB COc1c(C)cc(C(=O)/C=C/c2ccccc2)cc1C 575358189 GWOCFMFXEQPOES-MDZDMXLPSA-N 266.340 4.208 30 40 CIEB CC(C)CCN(CC#CC1(O)CCCCC1)CCC(C)C 2330456 IKPVPNIFWXVYDL-UHFFFAOYSA-N 293.495 4.079 30 40 CIEB N#CCCCCCOc1ccc(Cl)c(Cl)c1 95734151 VOWNQPJZGGYFDD-UHFFFAOYSA-N 258.148 4.456 30 40 CIEB Cc1cc(OCCCCCC#N)ccc1Br 95734271 KXEOOBKJAKYUNM-UHFFFAOYSA-N 282.181 4.220 30 40 CIEB COc1ccccc1/C=N/c1cc(Cl)ccc1C 409208028 AHLRHPAZZAXGST-LICLKQGHSA-N 259.736 4.408 30 40 CIEB CCc1ccccc1N/C=C/C(=O)c1cccs1 409364688 XYUFCQYBCVPELS-MDZDMXLPSA-N 257.358 4.119 30 40 CIEB N#CC1(c2ccc(NC(=O)c3ccccc3)cc2)CCCC1 244087 ZBJUPKBJHWBBGX-UHFFFAOYSA-N 290.366 4.274 30 40 CIEB CCCCCCCCCCOC(=O)c1cccnc1 1666595 OVSJCKDIBDNMMK-UHFFFAOYSA-N 263.381 4.379 30 40 CIEB CCCCCCCCCCC[C@H]1N[C@@H](C(=O)O)CS1 3129240 FNBSOIBCKUUVJJ-KGLIPLIRSA-N 287.469 4.023 30 40 CIEB biogenic CN1/C(=C/C(=O)/C=C/c2ccccc2)Sc2ccccc21 4661485 LULZCTLCJMULBL-FEYWXZCKSA-N 293.391 4.352 30 40 CIEB COc1ccc(C(=O)/C=C/c2c(F)cccc2Cl)cc1 7741970 SYWPISLYEPCTAP-MDZDMXLPSA-N 290.721 4.384 30 40 CIEB C=CCNc1nc(-c2nc3ccccc3s2)cs1 8941547 QNMAYZKRILEXPR-UHFFFAOYSA-N 273.386 4.018 30 40 CIEB CCCCc1ccc(C#C[C@@](C)(O)c2ccccc2)cc1 95633285 OCDYZFGZEFLKAL-HXUWFJFHSA-N 278.395 4.288 30 40 CIEB N#Cc1cccc(NCc2csc(-c3cccs3)n2)c1 95964713 LLZRJNPMHBTUQW-UHFFFAOYSA-N 297.408 4.355 30 40 CIEB CCCN1c2cc(C)c(C#N)cc2C(C)=CC1(C)C 223791819 AZSOESCERNEKSW-UHFFFAOYSA-N 254.377 4.279 30 40 CIEB Cc1cc(N2CCCC2)ccc1/C=N/Cc1ccccc1 408961709 UVCFDXATKLWCBT-HMMYKYKNSA-N 278.399 4.214 30 40 CIEB COc1ccc2ccccc2c1/C=N/c1ccccc1C#N 65986 HPZZBPNLWQFQAC-FYJGNVAPSA-N 286.334 4.471 30 40 CIEB CCCCCCCCCCC[n+]1cccc(C#N)c1 1723785 WWUSWNWVVQQOOV-UHFFFAOYSA-N 259.417 4.377 30 40 CIEB CCCCCCCCc1ccc(OCC(=O)O)cc1 2018864 DWUYSEMDJQMICY-UHFFFAOYSA-N 264.365 4.053 30 40 CIEB Fc1ccc(/C=N/Nc2cccc(Cl)c2)cc1F 4922727 MTXRDZFOEUGDJP-CAOOACKPSA-N 266.678 4.064 30 40 CIEB FC(F)(F)c1cccc(N/N=C/c2ccccc2)c1 6227426 YGQMRHVBSZEJBJ-VCHYOVAHSA-N 264.250 4.151 30 40 CIEB N#Cc1ccc(Oc2ccc(Cl)c(Cl)c2)nc1 12632672 AOANSHKOZLKQQA-UHFFFAOYSA-N 265.099 4.052 30 40 CIEB N#Cc1ccc(/N=C\c2c(O)ccc3ccccc23)cc1 13406293 CRSJDEBLYKFEPB-NDENLUEZSA-N 272.307 4.168 30 40 CIEB N#Cc1ccc(C(=S)SCc2ccccc2)cc1 34456950 IPHFOUSKYRMGCI-UHFFFAOYSA-N 269.394 4.167 30 40 CIEB C=CC[N+]1(C[C@@H]2[C@@H](C)C=C(C)C[C@H]2C)CCCCC1 103140723 UDMJNZRMOVJSLS-RCCFBDPRSA-N 262.461 4.412 30 40 CIEB CC(C)S/C(S)=N/c1ccc(Cl)c([N+](=O)[O-])c1 5732978 BIXIEQBMUFHDNY-UHFFFAOYSA-N 290.797 4.307 30 40 CIEB COc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1 8322581 UADAYTMGVAQECS-CSKARUKUSA-N 266.340 4.208 30 40 CIEB C=CCOc1ccc(/C=N/c2ccccc2C)cc1OC 8570887 BTWCSMVKJFGHDQ-CPNJWEJPSA-N 281.355 4.319 30 40 CIEB Cc1cc(/N=C/c2cccs2)cc(Cl)c1O 17109965 ZZLCMNUPFQSLTK-VGOFMYFVSA-N 251.738 4.166 30 40 CIEB C#CC(CC)(CC)/N=C/c1cc(Cl)cc(Cl)c1O 18210047 VAUPOTMNMWZYCM-RQZCQDPDSA-N 284.186 4.310 30 40 CIEB CC(C)c1ccc(C/N=C/c2ccccc2O)cc1 51315042 INEZISNPQABZJS-LDADJPATSA-N 253.345 4.135 30 40 CIEB CCOc1ccc(C(=O)/C=C/Nc2cccc(CC)c2)cc1 51318765 FDXFBRCLFSUAFJ-OUKQBFOZSA-N 295.382 4.456 30 40 CIEB CSc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2C)cc1 66164 ODFFJXHJPZMDBW-MHWRWJLKSA-N 286.356 4.376 30 40 CIEB O=C(/C=C/c1ccc(F)cc1)c1cc2ccccc2o1 5129480 MQZGXJWGTBBXPV-JXMROGBWSA-N 266.271 4.468 30 40 CIEB CCCCC(=N\O)/C(=N/O)c1ccc(C(C)C)cc1 5417555 JZXDCXSNOCMGEZ-YXLFCKQPSA-N 262.353 4.009 30 40 CIEB CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OC 8084862 MKGCYLFPDOMCQO-CPNJWEJPSA-N 283.371 4.407 30 40 CIEB CN(C)c1ccc(/C=N/C23CC4CC(CC(C4)C2)C3)cc1 18099106 PXSHBCNEBGRJPO-DEDYPNTBSA-N 282.431 4.140 30 40 CIEB CCCCCCCCCC/C=C/[C@@H](CC(=O)O)C(=O)O 59659415 QDCPNGVVOWVKJG-GETOMWPZSA-N 284.396 4.249 30 40 CIEB CCCCn1c(C#N)cc(N)c1Oc1ccc(C)c(C)c1 225885550 ZNYVVVUJMIMNSQ-UHFFFAOYSA-N 283.375 4.151 30 40 CIEB C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC(=O)O 257393697 CDFOVPVYHVWCGP-IOASZLSFSA-N 250.382 4.260 30 40 CIEB biogenic,in-vitro COc1cccc(/C=N/c2ccc(C#N)cc2)c1OC(C)C 409018670 IACSCXVXTKUFDD-UDWIEESQSA-N 294.354 4.105 30 40 CIEB CCc1ccccc1N/C=C/C(=O)c1ccc(C)cc1 409054979 OTWMNXIXOCINDZ-OUKQBFOZSA-N 265.356 4.366 30 40 CIEB CCc1ccc(-c2csc(N/N=C/c3ccco3)n2)cc1 4957144 LSVZLRNVQOLZQK-LICLKQGHSA-N 297.383 4.412 30 40 CIEB O=C(/C=C/c1c(O)ccc2ccccc12)c1cccc(O)c1 16957410 SEJSOIIPSTXKHD-PKNBQFBNSA-N 290.318 4.147 30 40 CIEB CCCCOC(=O)c1ccc(/N=C\c2ccccc2O)cc1 57412016 IBLINQGAZHEOOA-UYRXBGFRSA-N 297.354 4.100 30 40 CIEB C[C@@H](c1ccccc1Cl)N(C)CCC(C)(C)C#N 87595563 CBCKDVSUZHBBIU-LBPRGKRZSA-N 264.800 4.273 30 40 CIEB O/N=C\C12c3ccccc3C(c3ccccc31)c1ccccc12 104091207 YRPOGXHQEALDRU-XKZIYDEJSA-N 297.357 4.288 30 40 CIEB Cc1cc2c(cc1/C=N\O)[C@@H](C)CC(C)(C)N2C(C)C 223594524 QMNCTGQRPDDTPB-VQIMKDEXSA-N 274.408 4.304 30 40 CIEB CN(C)CCCCC(C#N)(c1ccccc1)c1ccccc1 1717942 SMXZKFBFEUEMST-UHFFFAOYSA-N 292.426 4.228 30 40 CIEB Cc1cc(C)c2nc(S[C@H](C)C#N)cc(C)c2c1 12644649 SNFJQZYBKKSSHA-GFCCVEGCSA-N 256.374 4.164 30 40 CIEB Cc1c(Cl)cccc1NCc1ccc(C#N)cc1 19905496 JXCLMTGBZPIYJJ-UHFFFAOYSA-N 256.736 4.132 30 40 CIEB C[C@H](Nc1cccc(C#N)c1)c1cccc(OC(F)F)c1 20090137 VJIQVLSMDVGQQU-NSHDSACASA-N 288.297 4.333 30 40 CIEB C#CCOc1ccc(CNc2ccc(F)cc2)cc1Cl 409195744 KOCMWCNUYGZOFB-UHFFFAOYSA-N 289.737 4.103 30 40 CIEB C=C[C@@](C)(O)C[C@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@]21C 3902346 HTYVNKCNBDAITQ-POGZOPGASA-N 294.479 4.307 30 40 CIEB C/C(=N\Nc1ccccn1)c1cc(Cl)ccc1Cl 5692816 CKPUPRSDZPPUHT-RQZCQDPDSA-N 280.158 4.225 30 40 CIEB CCCCn1c(C#N)cc(N)c1Oc1ccc(Cl)cc1 225882136 NDBRXDZBYNUZHF-UHFFFAOYSA-N 289.766 4.188 30 40 CIEB C=CCCC(=O)c1cccc(OC(F)(F)C(F)F)c1 575361309 XLRUPBULIUHPKI-UHFFFAOYSA-N 276.229 4.072 30 40 CIEB CCO[P@@](=O)(C#CC(C)(C)C)[C@@](C)(O)c1ccccc1 2318987 NMGFULLYWKQAOP-UZLBHIALSA-N 294.331 4.173 30 40 CIEB O=C(/C=C\c1ccccc1)SCc1ccccc1 5104721 DTZLSCSFWWJYGJ-QXMHVHEDSA-N 254.354 4.160 30 40 CIEB Cc1ccc2c(/N=C/c3ccc(O)cc3O)c(C)ccc2n1 5337727 AMHIFFSGMICWCL-VXLYETTFSA-N 292.338 4.013 30 40 CIEB O=C(/C=C/c1cccnc1)c1cccc2ccccc12 7586865 PGWOBCNTPPHTAD-ZHACJKMWSA-N 259.308 4.131 30 40 CIEB C=C(C)COc1cccc(C(=O)N[C@H](C)c2ccccc2)c1 8570630 SYSDYQWBMMMWJI-OAHLLOKOSA-N 295.382 4.133 30 40 CIEB CCCCCCCCNC(=S)N(C)Cc1ccccc1 100984876 LDHPHVMMFHRRSZ-UHFFFAOYSA-N 292.492 4.353 30 40 CIEB CCc1ccc(/C(C)=N/NCc2ccc(Cl)cc2)cc1 408711907 QFQLHWTXCPQGMV-DEDYPNTBSA-N 286.806 4.416 30 40 CIEB CC(=O)c1cccc(/N=C\c2c(C)n(C)c3ccccc23)c1 408812302 MQFXNNUTHRAOCZ-NDENLUEZSA-N 290.366 4.440 30 40 CIEB CC1(C)OB(c2cccc(C=C3CCCCC3)c2)OC1(C)C 936069366 HSGIOSGHJKKZTP-UHFFFAOYSA-N 298.235 4.333 30 40 CIEB FC(F)(F)c1ccc(Cl)c(N/N=C/c2ccccn2)c1 4932836 AOTSVUUULZPOAV-UFWORHAWSA-N 299.683 4.200 30 40 CIEB O=C1/C(=C/c2ccccc2F)Sc2ccccc21 16449013 TWSSPAORZFWXAZ-ZROIWOOFSA-N 256.301 4.155 30 40 CIEB COc1ccccc1/C=N/c1cccc(Cl)c1C 59514055 USPIIIMTWXHEGR-LICLKQGHSA-N 259.736 4.408 30 40 CIEB COc1c(/C=C/C(=O)c2ccco2)ccc2ccccc12 95115882 MXSVABQRCIMMTM-ZHACJKMWSA-N 278.307 4.338 30 40 CIEB CC(=O)c1cccc(/N=C\c2ccc(N3CCCC3)cc2)c1 101748807 LTAMWQQADQMTSV-ZHZULCJRSA-N 292.382 4.240 30 40 CIEB Clc1ccc(Cl)c(/N=C\c2ccc3c(c2)OCO3)c1 104136523 FWKALYKRLGTKDE-IDUWFGFVSA-N 294.137 4.473 30 40 CIEB CCn1cc(/C=C2\Cc3ccccc3C2=O)c2ccccc21 409373919 ZQGOCTNZCGAUKN-NTCAYCPXSA-N 287.362 4.484 30 40 CIEB CC/C(=N/NC(=S)Nc1ccc(C)cc1)c1ccccc1 27911 GKYTYMSYSSSDND-MNDPQUGUSA-N 297.427 4.096 30 40 CIEB C[C@@](C#N)(Cc1ccccc1)Nc1ccc(Cl)cc1 88167 MGNVJQYQDMPUDK-INIZCTEOSA-N 270.763 4.277 30 40 CIEB Cc1c(/C=C2\CCCCC2=O)c2ccccc2n1C 1709013 VDBWOIAYHAXATE-ACCUITESSA-N 253.345 4.013 30 40 CIEB CCCCC[C@H](C[N+](C)(C)C)C(=O)/C=C/c1ccccc1 1898802 DELWKBXATAWMQG-LGHUBQEGSA-N 288.455 4.172 30 40 CIEB biogenic Cc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1 6626549 OXRJGGHVWBXICT-VMPITWQZSA-N 258.267 4.169 30 40 CIEB S/C(=N\c1ccccc1)n1ccc2ccccc21 16490124 FUQALEMEJFCCGK-UHFFFAOYSA-N 252.342 4.107 30 40 CIEB C=CCOc1ccc(CNc2cc(C)ccc2C)cc1OC 409116863 NFEKEBICPUKKHO-UHFFFAOYSA-N 297.398 4.489 30 40 CIEB CCCCCCCCCn1c(=O)[nH]c2ccccc21 2206813 YPICXUBUJKFCNW-UHFFFAOYSA-N 260.381 4.080 30 40 CIEB O=[N+]([O-])c1ccc(/C=N/c2cccc3c(O)cccc23)cc1 3241342 XRSWMUJNQOXFLY-WOJGMQOQSA-N 292.294 4.204 30 40 CIEB CC[C@H](C)c1ccc(N/C(=N/O)c2ccc(OC)cc2)cc1 4868697 ZAQDORZZXBBJSS-ZDUSSCGKSA-N 298.386 4.457 30 40 CIEB N#C[C@@]1(c2nc3ccccc3[nH]2)C[C@@H]1c1ccc(Cl)cc1 6694762 PCVKOQHRZTUEFR-DYVFJYSZSA-N 293.757 4.165 30 40 CIEB Oc1ccccc1/C=N\N=C1c2ccccc2-c2ccccc21 13509878 LYTGWZJOGKZSPL-BKUYFWCQSA-N 298.345 4.244 30 40 CIEB CCCCCCCNCCNCCCCCCC 100052363 ZFZFSUJLPLACON-UHFFFAOYSA-N 256.478 4.106 30 40 CIEB CC1(C)C[C@@]2(C)C[C@](O)(C1)[C@@]13CCC(C)(C)C[C@]1(C2)O3 102452887 UFSXGZYPTCAWHX-MLHJIOFPSA-N 278.436 4.056 30 40 CIEB C=CCSc1ccccc1C(=O)N[C@H](C)c1ccccc1 219795452 PKYMRFUIPBQPPC-CQSZACIVSA-N 297.423 4.456 30 40 CIEB CC1=C(c2ccccc2)[C@@H](c2ccccc2)[C@H](C)C1=O 1757670 FPMNYEMWMGKIKG-SUMWQHHRSA-N 262.352 4.463 30 40 CIEB CCN(CC)c1ccc(/C=C/C(=O)c2ccccc2)cc1 5261409 RONYJXRSTBQEDW-NTCAYCPXSA-N 279.383 4.429 30 40 CIEB CCCC[C@@H](CC)[C@H](O)C#Cc1ccccc1CC 95632112 YNEXDVQVBJCJAE-SJLPKXTDSA-N 258.405 4.178 30 40 CIEB CCN1c2cc(Cl)c(C#N)cc2[C@@H](C)CC1(C)C 223775656 YEYKOUFHPCDKBR-JTQLQIEISA-N 262.784 4.324 30 40 CIEB COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1C 408983381 BMMFFOOKINRYRI-YBEGLDIGSA-N 282.364 4.333 30 40 CIEB CCOc1ccccc1/C=C1\Sc2ccccc2C1=O 5475952 ZEQBDTYXHOFFAL-WJDWOHSUSA-N 282.364 4.415 30 40 CIEB O/N=C1\CCCCCC[C@H]1Sc1nc2ccccc2o1 5605051 QXWDDYYIBGJXDV-RFRKOGIWSA-N 290.388 4.473 30 40 CIEB C=CCNCCCOc1c(Cl)cc(Cl)cc1Cl 6158473 BPBBZEYPDODGHR-UHFFFAOYSA-N 294.609 4.191 30 40 CIEB C/C(=C\C(=O)c1ccc(Cl)cc1)NC1CCCCC1 6652115 ZUGKCSSXNFONAF-VAWYXSNFSA-N 277.795 4.349 30 40 CIEB C[C@H](N[C@@H](C#N)C(F)(F)c1ccccc1)c1ccccc1 95470353 BXPFXBXPQPVIAJ-BBRMVZONSA-N 286.325 4.021 30 40 CIEB CCCCCCCCc1ccc(C(=O)C(=O)OCC)cc1 101106091 VBLGTFXOFMTFDJ-UHFFFAOYSA-N 290.403 4.335 30 40 CIEB C=CCN(C(=O)c1nc2ccccc2s1)c1ccccc1 409190627 UAIKSMMIVOHZMG-UHFFFAOYSA-N 294.379 4.129 30 40 CIEB Cc1cc(C)cc(-n2cc(-c3ccccc3)c(C#N)c2N)c1 521165 WSKSLTOVORVZSR-UHFFFAOYSA-N 287.366 4.215 30 40 CIEB Oc1ccccc1/C=N\c1ccc(Br)cc1F 5287485 URKAVIXXRZEVAY-PXNMLYILSA-N 294.123 4.044 30 40 CIEB CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OC 6959185 KRLPDLSSABWSLE-WOJGMQOQSA-N 289.762 4.498 30 40 CIEB CC(C)C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1 7037008 UYOIQVHUIXHHLG-GOSISDBHSA-N 292.382 4.075 30 40 CIEB C=C(Br)Cc1cc(Cl)cc(Cl)c1 63339333 ZOMKQRJTDJYYEZ-UHFFFAOYSA-N 265.965 4.445 30 40 CIEB COc1ccc(N/C=C2\C(=O)[C@]3(C)CC[C@@H]2C3(C)C)cc1 100367300 GGNDKYIEESZQFH-ZZVGLVNZSA-N 285.387 4.016 30 40 CIEB Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(C#N)cc1 408961892 VHTOPSKMKABWBM-KGENOOAVSA-N 289.382 4.218 30 40 CIEB C=C(Br)Cc1ccccc1OC(F)(F)F 1848444243 FDJMJTRROFTFNK-UHFFFAOYSA-N 281.071 4.036 30 40 CIEB CCCCCCCCc1c(O)[nH]c2ccccc2c1=O 2097812 MADBCVDZBOSDPP-UHFFFAOYSA-N 273.376 4.137 30 40 CIEB biogenic C=C/C=C/C(=O)N(Cc1ccccc1)[C@H](C=C)CC(C)C 39277349 QSOFGQAHXXWYKE-JQTSXJCQSA-N 283.415 4.358 30 40 CIEB CCCC[C@H](CC)[C@@H](O)C#Cc1ccc(F)cc1C 95632303 JXTZREPIRYUSOU-YOEHRIQHSA-N 262.368 4.063 30 40 CIEB CCCC[C@H](CC)[C@@H](O)C#Cc1ccc(Cl)c(F)c1 95633367 REIYEFWLIIXDHJ-BBRMVZONSA-N 282.786 4.408 30 40 CIEB CCc1ccccc1N/C=C/C(=O)c1ccccc1 409060614 VJEQRZJCSVHMML-OUKQBFOZSA-N 251.329 4.058 30 40 CIEB N#CCc1nc(-c2ccc3ccccc3c2)cs1 818321 FBSUQEGNCCSXKG-UHFFFAOYSA-N 250.326 4.029 30 40 CIEB C(=N\N=C\c1ccc2c(c1)CCC2)\c1ccc2c(c1)CCC2 4582266 MTDMQIPYYJFPMB-VOKWCDJLSA-N 288.394 4.117 30 40 CIEB C/C(=N\Nc1ccccc1)c1ccc(Cl)s1 5444363 WBNWLNQUWPRYIF-NTEUORMPSA-N 250.754 4.238 30 40 CIEB C[C@H](OC(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 12945262 OMEANISVNUUPBD-NSHDSACASA-N 285.730 4.130 30 40 CIEB C(=N/CCc1c[nH]c2ccccc12)\c1ccc2[nH]ccc2c1 19894228 XQGXETDZAJYCCO-UDWIEESQSA-N 287.366 4.311 30 40 CIEB COc1ccccc1C(=O)/C=C/c1ccc(Cl)cc1 32120145 ISJRFVKFQCRHMN-DHZHZOJOSA-N 272.731 4.245 30 40 CIEB Cc1ccc(C)c(C(=O)/C=C/Nc2ccccc2C)c1 44844308 FPAWDTINRGIWDT-ZHACJKMWSA-N 265.356 4.420 30 40 CIEB O=C1/C(=C\c2ccc(F)cc2)CSc2c(F)cccc21 96925165 KWVRDZSRTNDHHA-FLIBITNWSA-N 288.318 4.337 30 40 CIEB CCCCCCCc1nc(C#N)c(NCc2ccncc2)o1 101411465 USCGAAGESOTNQX-UHFFFAOYSA-N 298.390 4.066 30 40 CIEB CCO/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 2296383 VGJMJPQOSBRXGX-HPAYWCODSA-N 290.432 4.467 30 40 CIEB N#C[C@H]1C=Cc2ccccc2[C@H]1C(=O)/C=C/c1ccccc1 4350037 DTXPWFHCBJNIKB-HJGVSCFUSA-N 285.346 4.219 30 40 CIEB C[C@@H]1CCC[C@@H](C)N1/N=C/c1cccc2ccccc12 5517920 YUKJHTAIXMRILZ-LLVHFCNSSA-N 266.388 4.437 30 40 CIEB C/C(C[C@@H](c1ccccc1)N1CCc2ccccc2C1)=N\O 16973074 YASSBQUIPOISHI-AZGFIHASSA-N 294.398 4.026 30 40 CIEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)Nc1ccc(F)c(F)c1)C2 100261648 BVOHBSSSTNPXAP-DIFFPNOSSA-N 291.341 4.286 30 40 CIEB CCCCN(C(=O)c1ccccc1)[C@H](C#N)c1ccccc1 255188752 LIFZLORWTUTDOV-GOSISDBHSA-N 292.382 4.194 30 40 CIEB CC=C1C[C@@H]2CC[C@H](C1)N2c1nc2ccccc2cc1C#N 1775996007 QPZVSGGYSRWRCM-CALCHBBNSA-N 289.382 4.184 30 40 CIEB Cc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(Cl)cc1 297938 CBQNVDXMVIKNRI-CXUHLZMHSA-N 274.707 4.307 30 40 CIEB Cc1ccc(C)c(/N=C/c2cc3cccc(C)c3[nH]c2=O)c1 530545 XZLFMRLSQRADHQ-RGVLZGJSSA-N 290.366 4.204 30 40 CIEB Cc1ccc(C)c(C(=O)/C=C/c2cccc(F)c2)c1 4317046 FUDNAYOICGHTBT-CMDGGOBGSA-N 254.304 4.339 30 40 CIEB Cc1cccc(N/C=C2\CCCCCC2=O)c1Cl 33499309 REHCUMGGGQVGRW-ZRDIBKRKSA-N 263.768 4.477 30 40 CIEB Cc1ccc(C(=O)/C=C/Nc2ccc(F)c(F)c2)cc1C 44844052 MIGCIMRPNLZVEL-BQYQJAHWSA-N 287.309 4.390 30 40 CIEB CCCCCCCCOC(=O)c1ccnc(Cl)c1 100592875 MAINPQGFQVXXBP-UHFFFAOYSA-N 269.772 4.252 30 40 CIEB CCCCCCCNCc1ccc(OC)c(OCC)c1 102566579 ZJEIFVXOZGVIAH-UHFFFAOYSA-N 279.424 4.154 30 40 CIEB CCc1ccc(C(=O)/C=C/Sc2nc(C)cc(C)n2)cc1 133857 ZWMPSWNWICPAEV-MDZDMXLPSA-N 298.411 4.145 30 40 CIEB Cc1cc(C)c(/C=N/c2cc([N+](=O)[O-])ccc2F)c(C)c1 566771 QSSPBJWVODXGCC-GIJQJNRQSA-N 286.306 4.410 30 40 CIEB C=C(C)[C@@H]1CC[C@@]2(C)OC(=O)N(Cc3ccccc3)[C@]12C 4491400 XOTQEYORQKZSOE-CGTJXYLNSA-N 285.387 4.142 30 40 CIEB O/N=C\c1cc(Cl)ccc1OCc1ccccc1Cl 6926918 WTJCHZPEHFPZBV-IUXPMGMMSA-N 296.153 4.381 30 40 CIEB CCC(C)(C)C1CCC(=NNc2ccccn2)CC1 7993884 ZYKZHECUMFTVIE-UHFFFAOYSA-N 259.397 4.476 30 40 CIEB COc1ccccc1/C(C)=N/Nc1nc2ccccc2s1 13940697 DVOFLPQKMMRLOU-WOJGMQOQSA-N 297.383 4.141 30 40 CIEB Oc1ccccc1/C=N\c1cccc(Cl)c1Cl 16980537 IOZIARNNNFGVFD-PXNMLYILSA-N 266.127 4.450 30 40 CIEB Cc1ccc(/C=C2\C(=O)[C@@H]3CC[C@]2(C)C3(C)C)cc1 102297120 IFRCODNIQRHSLF-CKWWRACOSA-N 254.373 4.404 30 40 CIEB Cc1cc(C=NO)c(C)n1-c1ccc(C(C)(C)C)cc1 408968724 YGGLKTYLOYZOBI-UHFFFAOYSA-N 270.376 4.200 30 40 CIEB C(#Cc1ccc(/C=N/c2ccccn2)cc1)c1ccccc1 1434377 MAEVWMTZWZLCHA-CJLVFECKSA-N 282.346 4.232 30 40 CIEB CCc1c(C)sc(NC(=O)Nc2ccccc2)c1C#N 6122856 VVXRSFCLPUJIKE-UHFFFAOYSA-N 285.372 4.135 30 40 CIEB COc1ccc(Cl)cc1/C=N/c1ccccc1C 8570837 CZEZONAOIUKSKK-LICLKQGHSA-N 259.736 4.408 30 40 CIEB CC(C)Oc1ccc(C(=O)/C=C/c2cccc(C#N)c2)cc1 13003733 QJRGHUKRJFMHPP-IZZDOVSWSA-N 291.350 4.242 30 40 CIEB C[C@@H](S/C(=N\C#N)Nc1ccccc1)c1ccccc1 13563510 USIHRUMRXONVRV-CYBMUJFWSA-N 281.384 4.430 30 40 CIEB O=C1/C(=C/c2ccc(Cl)s2)Cc2ccccc21 14176017 ANWIXYOVMNDHBI-CSKARUKUSA-N 260.745 4.224 30 40 CIEB CC(C)(C)C(=O)/C=C/c1ccc(Br)s1 57218753 ARUJIULLIXAOIU-GQCTYLIASA-N 273.195 4.139 30 40 CIEB in-vitro CC1=CC=C[C@H](C(C)(C)C(=O)O)[C@@]1(C)/N=C/c1ccccc1 100002721 NPSRXSABNKSJHU-DSXZDUDKSA-N 297.398 4.107 30 40 CIEB CCCCCCCCNCc1cnc(SCC)nc1 103596012 MNQNUTNMAZFBHC-UHFFFAOYSA-N 281.469 4.039 30 40 CIEB Cc1ccc(C(=O)O)cc1/N=C\c1ccc(Cl)s1 408965197 HGDHOXSQYDZCDA-CHHVJCJISA-N 279.748 4.159 30 40 CIEB Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1ccccn1 409235552 CEIUAWHXCQESKM-MTJSOVHGSA-N 293.345 4.379 30 40 CIEB C/C=C/C(=O)c1cccc(OCc2cccc(F)c2)c1 575242714 IHRLLDJFEYJSEW-GORDUTHDSA-N 270.303 4.164 30 40 CIEB Cc1ccc(/N=C/c2ccc(O)cc2)cc1Br 342684 IFXXGTSZSGEKDS-CXUHLZMHSA-N 290.160 4.214 30 40 CIEB Cc1cccc(C(=O)O/N=C2/C[C@H]3CC[C@]2(C)C3(C)C)c1 4577555 KXEOEKZAZBDEPB-KSLXEMFJSA-N 285.387 4.354 30 40 CIEB CCCCCC#CCN1CCCC[C@H]1c1cccnc1 55226911 LFGKVBBGXRWEQI-SFHVURJKSA-N 270.420 4.192 30 40 CIEB biogenic C=C(Br)Cc1cccc(Cl)c1Cl 71795110 GFDHOUFUMHWWIH-UHFFFAOYSA-N 265.965 4.445 30 40 CIEB CCCCCCCC/C(=N\O)c1ccc(O)cc1O 100925724 DXRCRSKLDPCICE-JQIJEIRASA-N 265.353 4.027 30 40 CIEB COc1ccc(-c2c(-c3ccccc3)oc(N)c2C#N)cc1 117106492 AQDOQNFBMSFEFQ-UHFFFAOYSA-N 290.322 4.076 30 40 CIEB C(\CCC/C=N/Nc1ccccc1)=N/Nc1ccccc1 4946416 LVWUPUGYSHULKR-JSAVKQRWSA-N 280.375 4.353 30 40 CIEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccccc1Cl 5379136 PAENTZHCTRLMKA-CXUHLZMHSA-N 274.707 4.307 30 40 CIEB O=C1Nc2ccccc2/C1=C/C(=O)c1ccc2ccccc2c1 33548672 CZHOGLLOPNVIOC-ATVHPVEESA-N 299.329 4.058 30 40 CIEB CCCOc1ccc(/C=[N+](/[O-])c2ccc(C)cc2)cc1 43726388 BDTOSCZVXKKLLV-QGOAFFKASA-N 269.344 4.045 30 40 CIEB OC1(C#Cc2ccc(-c3ccccc3)cc2)CCCCC1 95632802 JWQRRVZBOGDRRQ-UHFFFAOYSA-N 276.379 4.400 30 40 CIEB CCCCCCCCc1ccc(C(=O)COC)cc1 101106303 SAMZZSZTQQVWOW-UHFFFAOYSA-N 262.393 4.419 30 40 CIEB O=C1CCC/C1=C/Nc1cc(Cl)cc(Cl)c1 409179026 MNRRUMUYTORUFU-FPLPWBNLSA-N 256.132 4.042 30 40 CIEB CC1(C)C[C@@]2(O[C@@H]2c2ccccc2)C(=O)c2ccccc21 1761152 DBSWOIVXLYIEDN-IEBWSBKVSA-N 278.351 4.061 30 40 CIEB Nc1cccc(SC(F)(F)C(F)(F)C(F)(F)F)c1 1799257 AZJKYTRMFNYREV-UHFFFAOYSA-N 293.207 4.151 30 40 CIEB C#CCn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21 4385621 DBRSVULQNMUZED-FMIVXFBMSA-N 292.769 4.493 30 40 CIEB O/N=C1/[C@H]2CC[C@H](C2)[C@H]1Nc1cc(Cl)cc(Cl)c1 100964758 LLXIFXJUEJRWLX-RTBNUWPTSA-N 285.174 4.034 30 40 CIEB CC(Nc1ccc(C)c(C)c1)=C1C(=O)c2ccccc2C1=O 261689 JEWYLSKLOGXASN-UHFFFAOYSA-N 291.350 4.069 30 40 CIEB CC(C)c1ccc(/C=C2/Oc3cc(O)ccc3C2=O)cc1 490512 MOSPYQJGWFNPLZ-RQZCQDPDSA-N 280.323 4.132 30 40 CIEB O=C(C[n+]1ccccc1)c1ccc2c(ccc3ccccc32)c1 1668062 JWDFLGNUGJQAKG-UHFFFAOYSA-N 298.365 4.163 30 40 CIEB C#CCOc1ccc(/C=N/c2ccccc2C)cc1Cl 8570871 PZVMCAJWXFMGIX-XDHOZWIPSA-N 283.758 4.411 30 40 CIEB CC[C@H](C)C[C@@](C)(O)C#Cc1ccc(Cl)c(C)c1 95631666 VCRVBZRNSVSZPL-LRDDRELGSA-N 264.796 4.187 30 40 CIEB OC1(C#Cc2ccc(Cl)c(Cl)c2)CCCCC1 95633455 QSIMODMWEPLDMI-UHFFFAOYSA-N 269.171 4.040 30 40 CIEB N#Cc1ccccc1-c1ccccc1C(=O)Oc1ccccc1 405927 SXILBMIYRONLLG-UHFFFAOYSA-N 299.329 4.444 30 40 CIEB N#Cc1ccccc1NC(=O)Nc1cccc2ccccc12 3851508 QMHOFWRBAAGHLA-UHFFFAOYSA-N 287.322 4.355 30 40 CIEB biogenic CC(=O)C1=C(C)OC(C)=C[C@]12Nc1cc(C(C)C)ccc1O2 40546396 CJMYLQQRJGCHSC-GOSISDBHSA-N 299.370 4.108 30 40 CIEB Cc1ccc(C(=O)/C=C/Nc2ccccc2F)cc1C 44844033 YXZUURVCGOFXQA-MDZDMXLPSA-N 269.319 4.251 30 40 CIEB CC(C)(C)Nc1oc([C@H]2C[C@H]2c2ccccc2)nc1C#N 96346126 MIPLYSZSGJZZKX-STQMWFEESA-N 281.359 4.028 30 40 CIEB Cc1cc(C)c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C)c1 4417123 COYZCLWLBGOADT-BQYQJAHWSA-N 295.338 4.416 30 40 CIEB C[C@H]1C/C(=N\Nc2cccc([N+](=O)[O-])c2)CC(C)(C)C1 4979853 ZVFKKCFKQGKEHB-ZDQRYUTBSA-N 275.352 4.209 30 40 CIEB CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1O 5463996 RJDMHCSTYZLHMU-WOJGMQOQSA-N 269.344 4.158 30 40 CIEB CN(C)c1ccc(/N=C/CCc2ccccc2)cc1 6475612 ORNRBPJZUJUKCM-NBVRZTHBSA-N 252.361 4.088 30 40 CIEB C/C(=N\OCc1ccc(C(F)(F)F)cc1)c1ccccn1 12350943 FOIYXUQJSPKNEJ-RGVLZGJSSA-N 294.276 4.041 30 40 CIEB Cc1ccc2cc(C#N)c(NC3CCCCC3)nc2c1 19096748 HLJKNZRMPVKXEX-UHFFFAOYSA-N 265.360 4.160 30 40 CIEB N#Cc1cccc(CSc2nccn2-c2ccccc2)c1 25964590 VILJRIWJKGROFO-UHFFFAOYSA-N 291.379 4.036 30 40 CIEB C/C(=C\C(=O)c1ccccc1)Nc1ccc(F)cc1 32100280 JTEXLTSCZLMHPW-VAWYXSNFSA-N 255.292 4.024 30 40 CIEB CCCC/C=N/OCc1c(F)c(F)c(F)c(F)c1F 38824125 CQVUQQBKUBLHIZ-BLLMUTORSA-N 281.224 4.075 30 40 CIEB CCCC[C@@H](CC)[C@@H](O)C#Cc1ccccc1CC 95632114 YNEXDVQVBJCJAE-AEFFLSMTSA-N 258.405 4.178 30 40 CIEB COc1cc2c(cc1C#N)[C@@H](C)CC(C)(C)N2C(C)C 223776805 OKTHITLRXPSLGL-LBPRGKRZSA-N 272.392 4.067 30 40 CIEB Cc1cc(C)c(C#N)c(Nc2cccc(C(F)(F)F)c2)n1 198402 QWTKKFHPGHQVIY-UHFFFAOYSA-N 291.276 4.333 30 40 CIEB CCCCCCCC(=O)Nc1cccnc1Cl 2750274 CWGQEMCVKKJQOE-UHFFFAOYSA-N 254.761 4.034 30 40 CIEB CC(=C/c1ccccc1)/C=N/Nc1ccc(F)cc1F 3265218 DOCSAEIKCPQBOG-VXDGCQLUSA-N 272.298 4.466 30 40 CIEB O/N=C(\Cc1ccccc1)c1ccc2c3c(cccc13)CC2 4701198 LFGAYBBTUPVXGG-XUTLUUPISA-N 287.362 4.359 30 40 CIEB N#Cc1ccc(NC(=O)CCCSc2ccccc2)cc1 6890222 DHHBZVLFZXGCSG-UHFFFAOYSA-N 296.395 4.069 30 40 CIEB C[C@H](Cc1cccs1)/N=C(\S)Nc1ccccc1 8687684 CYBCSVDRVUWPDN-LLVKDONJSA-N 276.430 4.077 30 40 CIEB O=C(/C=C/c1cccnc1)c1cc(Cl)ccc1Cl 12545790 KEIAVYOEZKSUQX-ZZXKWVIFSA-N 278.138 4.285 30 40 CIEB N#Cc1ccc(NC(=O)CCC2CCCC2)cc1Cl 12923054 DPPTYUKLAXANAF-UHFFFAOYSA-N 276.767 4.121 30 40 CIEB CS/C(=N\c1c(C)cccc1C)NCc1ccccc1 16953764 HAMIJXACOZLYRO-UHFFFAOYSA-N 284.428 4.444 30 40 CIEB N#Cc1ncc(C(F)(F)F)cc1Sc1ccccc1 95829754 OPCKJSXRQFHNRM-UHFFFAOYSA-N 280.274 4.123 30 40 CIEB COc1ccc(/N=C(\Cc2ccccc2)NC(C)(C)C)cc1 1572360 JLERDEWOFPBVEO-UHFFFAOYSA-N 296.414 4.356 30 40 CIEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@]21CO1 8618646 PJSPSVNEDZUBIG-HVMFNXBNSA-N 284.399 4.017 30 40 CIEB O=C1C=C(Nc2ccc(Cl)c(C(F)(F)F)c2)CCC1 16385531 RZOBAFIVUHWRCU-UHFFFAOYSA-N 289.684 4.408 30 40 CIEB Oc1ccc(Cl)cc1/C=N/c1ccccc1Cl 5273435 TUBGPPLDRPYMAQ-LZYBPNLTSA-N 266.127 4.450 30 40 CIEB CC(C)c1ccccc1N/C(S)=N/Cc1ccncc1 13683978 CXKYRYFBMBKUDC-UHFFFAOYSA-N 285.416 4.103 30 40 CIEB C/C(=N/N=C(c1ccccc1)c1ccccc1)c1ccc[nH]1 89262307 RLVZNZUNSSEUNC-QNGOZBTKSA-N 287.366 4.276 30 40 CIEB C=CCn1c(C)cc(C(=O)CSCc2ccco2)c1C 97513811 ZCCLNRYFUYCTTA-UHFFFAOYSA-N 289.400 4.000 30 40 CIEB Cc1ccc(/N=C\c2ccc(N(C)C)cc2)cc1Cl 104224998 SMYMWAKHEINVMW-WQRHYEAKSA-N 272.779 4.465 30 40 CIEB CCn1c(N/N=C/c2ccccc2Cl)nc2ccccc21 408692176 GKRYRHLTAILTHE-WOJGMQOQSA-N 298.777 4.156 30 40 CIEB C/C(=N/c1cccc(C(F)(F)F)c1)c1cc(O)ccc1O 409333046 BGUUPBCEMOGMBI-OCKHKDLRSA-N 295.260 4.257 30 40 CIEB Cc1cc(C)c(O)c(/N=C/c2ccc(Cl)cc2)c1 243516 IKFCMYJBTMFLOR-RQZCQDPDSA-N 259.736 4.413 30 40 CIEB CC(C)c1nc(Cl)c(C#N)c2c1CSC(C)(C)C2 4785874 LQUPVTLHMFFAER-UHFFFAOYSA-N 280.824 4.298 30 40 CIEB Clc1ccc2c(NN=C3CCCC3)ccnc2c1 7949611 JSEFKMZNNQUVOE-UHFFFAOYSA-N 259.740 4.230 30 40 CIEB N#Cc1cccc(CSc2nc3ccc(Cl)cc3[nH]2)c1 9204998 LVZJXHBLPAQNGI-UHFFFAOYSA-N 299.786 4.380 30 40 CIEB Oc1c(/C=N/c2ccc(Cl)cn2)sc2ccccc12 13126217 FSNDWBCKMOTDBF-CAOOACKPSA-N 288.759 4.406 30 40 CIEB CC(/N=N\c1ccc([N+](=O)[O-])cc1)=N\Nc1ccccc1 16979399 FHIGZTOTTOEVNT-IQZURPNQSA-N 283.291 4.124 30 40 CIEB CCOc1ccc(/C=N/c2ccccc2OCC)cc1 3228597 JZPACSZCUCWAQU-QGOAFFKASA-N 269.344 4.235 30 40 CIEB O=C(/C=C/c1ccccc1O)c1cc2ccccc2o1 3886188 DEGGMFLARURDBZ-MDZDMXLPSA-N 264.280 4.035 30 40 CIEB in-vitro O=C(/C=C\c1cccs1)c1ccc(Cl)s1 17221998 MGBNVHNNELLVTE-ARJAWSKDSA-N 254.763 4.359 30 40 CIEB COc1cccc(/C=N\Nc2cccc(C(F)(F)F)c2)c1 32465079 XITMFMLNRQMLJG-GRSHGNNSSA-N 294.276 4.160 30 40 CIEB CCCCCC[C@@](C)(O)C#Cc1ccc(OCC)cc1 95632087 XIGQAESINRBOJX-GOSISDBHSA-N 274.404 4.158 30 40 CIEB CCOc1cccc(N/C=C/C(=O)c2ccc(F)cc2)c1 107799451 QRKALMDALOOALU-ZHACJKMWSA-N 285.318 4.033 30 40 CIEB Cc1s/c(=N/N=C[C@@H]2CC=CCC2)[nH]c1-c1ccccc1 254793649 UJESCUXYJPHILH-CQSZACIVSA-N 297.427 4.294 30 40 CIEB C=CCc1cc(/C=N\C2CCCCC2)cc(OCC)c1O 408820441 XTPDVVXEECUYPM-UYRXBGFRSA-N 287.403 4.271 30 40 CIEB CC[C@H](C(=O)c1ccc(F)c(C#N)c1)c1ccccc1 575361774 GHQRGYQQVKMPAA-HNNXBMFYSA-N 267.303 4.074 30 40 CIEB COc1ccc(Cl)cc1/C=C\C=N/c1ccccc1O 5030988 IUJOKMCEJJMNGO-CGGMAVBGSA-N 287.746 4.470 30 40 CIEB C/C(=N\Nc1ccc(Cl)cc1)c1cnc2ccccc2n1 16137175 KYBOZBQTSWEOGK-RGVLZGJSSA-N 296.761 4.119 30 40 CIEB Cc1ccc(C(=O)/C=C/Oc2cccc3cccnc23)cc1 16291696 YKABTPRPPNHILK-ACCUITESSA-N 289.334 4.319 30 40 CIEB CC(/C=C/c1ccccc1)=N/Nc1ccc([N+](=O)[O-])cc1 26570567 YKLYFBYBGMTURT-CLAZAQNWSA-N 281.315 4.096 30 40 CIEB Cc1ccc([C@H]2CCC[C@H]2N(C)c2ccc(C#N)cn2)cc1 76063790 CUCNAQJDJVIHTE-QZTJIDSGSA-N 291.398 4.034 30 40 CIEB CCCCCCCNC(=S)NCCCCCCC 100720285 ZVFTWKBRNQSRLB-UHFFFAOYSA-N 272.502 4.391 30 40 CIEB CC(=O)C/C(C)=N/c1ccc2c(c1)Cc1ccccc1-2 100876796 FNVAWXKQAGIXHR-XDHOZWIPSA-N 263.340 4.329 30 40 CIEB CCCCCn1c(C#N)cc(N)c1Oc1cccc(C)c1 225879902 HRLHSVVWWZOIOM-UHFFFAOYSA-N 283.375 4.233 30 40 CIEB Cc1ccc(Oc2c(N)cc(C#N)n2CC(C)C)cc1C 225885574 MRJOFKNFCMPQKL-UHFFFAOYSA-N 283.375 4.007 30 40 CIEB CC(C)(C)C(=O)c1sc(Nc2ccccc2)c(C#N)c1N 1102162 FVEYZAUGFDIRPL-UHFFFAOYSA-N 299.399 4.174 30 40 CIEB CC1(C)[C@@H](/N=C\c2ccccc2O)[C@@]2(C)CC[C@@H]1C2 4976447 JSVJFQPVXUXWLF-FJHWIZDISA-N 257.377 4.026 30 40 CIEB COc1cccc(/C=C/C(=O)/C=C/c2cccc(C)c2)c1 7335091 BTBBUKVFXMUJOO-WGDLNXRISA-N 278.351 4.299 30 40 CIEB Cc1ccc(/C=N/c2ccc(Br)cc2)o1 298298 OOJQEOWSAZOKLQ-RIYZIHGNSA-N 264.122 4.101 30 40 CIEB CC(C)(C)n1cnc2cc(/N=C/c3ccccc3O)ccc21 302090 LHQOFCQXNTUWBE-YBFXNURJSA-N 293.370 4.248 30 40 CIEB N#CCCCCCC(=O)c1ccc(C(F)(F)F)cc1 2392920 AMGBXJDSVRZTET-UHFFFAOYSA-N 269.266 4.362 30 40 CIEB CC1=C[C@@H]([C@@H]2/C(=N/O)C=C(C)CC2(C)C)[C@H](O)C(C)(C)C1 4792238 JFSZVSHUGZIAMG-AYSSOKJNSA-N 291.435 4.162 30 40 CIEB in-vitro CN(/N=C/c1ccccc1)c1nc(-c2ccccc2)cs1 4834893 XQENTVMIWDHEFW-LDADJPATSA-N 293.395 4.280 30 40 CIEB CC#CCCCC#CC#CCCCCCCCCC(=O)O 5257871 OLJZVTRASVGFRQ-UHFFFAOYSA-N 286.415 4.392 30 40 CIEB CCCCC(=O)Nc1sc2c(c1C#N)CCCCCC2 6039758 MQYBLGYCSBPLRL-UHFFFAOYSA-N 290.432 4.407 30 40 CIEB O=C(/C=C/C=C\c1ccccc1)c1ccc(F)cc1 33376383 WRVMWLUMYZPQIR-MVTUOISNSA-N 252.288 4.278 30 40 CIEB Cc1cccc(CSCCOc2ccc(C#N)cc2)c1 47826477 BRHOXIVCDYOWAG-UHFFFAOYSA-N 283.396 4.179 30 40 CIEB CCCCCC[C@@](C)(O)C#Cc1cc(C)ccc1C 95633576 OQPXEQWKOHGOCI-GOSISDBHSA-N 258.405 4.376 30 40 CIEB C=C(C)COc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O 490016 JUNYMRAAAZFOFK-MFOYZWKCSA-N 296.322 4.159 30 40 CIEB biogenic Cc1c(-c2ccccc2)nc(N)c(C#N)c1-c1cccs1 20290419 QRGCAFKEILUVOV-UHFFFAOYSA-N 291.379 4.239 30 40 CIEB CSC(=Nc1nc2ccc(F)cc2s1)SC 57352489 XYOIZDUUXOJQDE-UHFFFAOYSA-N 272.395 4.149 30 40 CIEB CC(=O)c1ccc(/N=C\c2c(C)n(C)c3ccccc23)cc1 408848805 UPKQIYZBGICYFP-NDENLUEZSA-N 290.366 4.440 30 40 CIEB N#C[C@H](c1ccccc1)[C@H](C#N)c1ccc(Cl)cc1 1597911 SFLZVFHERLBKMO-HZPDHXFCSA-N 266.731 4.255 30 40 CIEB CCCNc1cc(CCC)c(C#N)c2nc3ccccc3n12 5164580 QZRZSGOKYUVESA-UHFFFAOYSA-N 292.386 4.134 30 40 CIEB Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc(O)cc1)CC2 33466963 AYDVSHJEDHNVQF-PTNGSMBKSA-N 278.351 4.222 30 40 CIEB CCc1ccc(C(=O)/C=C/c2cccc(F)c2)cc1 71976893 ICHXLMFQTNUPSL-DHZHZOJOSA-N 254.304 4.284 30 40 CIEB C=CCSc1ccccc1C(=O)NC(C(C)C)C(C)C 219800320 OTPKWZAXPTUMBF-UHFFFAOYSA-N 291.460 4.375 30 40 CIEB CCOc1cccc(N/C(C)=C/C(=O)c2ccc(C)o2)c1 409344814 JMSFSTFABHNKOL-ZRDIBKRKSA-N 285.343 4.185 30 40 CIEB CC(C)(C)c1ccccc1NC(=O)c1cccc(C#N)c1 6886565 OJDOWIQYLKGGCQ-UHFFFAOYSA-N 278.355 4.108 30 40 CIEB C=CCOc1ccc(/C=N/c2ccc(Cl)cc2)c(O)c1 13123208 MLQATICQPCCUKH-WOJGMQOQSA-N 287.746 4.361 30 40 CIEB c1ccc(/N=C(\Nc2ccccc2)N2CCCCC2)cc1 17255431 FHRHTIRYKDDYTN-UHFFFAOYSA-N 279.387 4.272 30 40 CIEB N#Cc1ccc(CSc2ccc(C(F)(F)F)cn2)cc1 19847621 RTYSWUKIUFBCMZ-UHFFFAOYSA-N 294.301 4.264 30 40 CIEB CC(C)(Cl)CCC1=C(Cl)C(=O)c2ccccc2C1=O 1668090 MVFPWJMGSMYFJF-UHFFFAOYSA-N 297.181 4.356 30 40 CIEB COc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1 2147384 USRCFJUXDYYDDD-VXLYETTFSA-N 279.261 4.465 30 40 CIEB COc1ccc(C(=O)/C=C/c2ccc(Cl)s2)cc1 5210657 RZEWEEDSDLMUPT-SOFGYWHQSA-N 278.760 4.306 30 40 CIEB CCCOc1ccc(/C=[N+](\[O-])c2ccc(C)cc2)cc1 13407894 BDTOSCZVXKKLLV-AQTBWJFISA-N 269.344 4.045 30 40 CIEB COc1ccccc1/N=C\c1c(O)ccc2ccccc12 96006203 JWZBXRAHIARYPU-UNOMPAQXSA-N 277.323 4.305 30 40 CIEB Oc1ccc(Cl)cc1/C=N/c1cccc2cccnc12 3122926 KLFCVAKGVZVKCQ-VXLYETTFSA-N 282.730 4.344 30 40 CIEB COc1cc(/C=C/C(=O)c2cc3ccccc3o2)ccc1O 6047932 GMFQJEFJCDWEFW-VQHVLOKHSA-N 294.306 4.043 30 40 CIEB CCCC[C@H](CC)[C@@H](O)C#Cc1cc(C)ccc1C 95633557 OFHCMNFMIYMWBD-WMZOPIPTSA-N 258.405 4.232 30 40 CIEB O/N=C/c1ccccc1Oc1cccc(C(F)(F)F)c1 100034620 UGXDRGXAEGYAMT-GIJQJNRQSA-N 281.233 4.306 30 40 CIEB Oc1c(/C=N/c2ccccc2F)ccc2ccccc12 100248396 OGYWKSGABYELIS-YBFXNURJSA-N 265.287 4.435 30 40 CIEB Cc1cc(N2CCCC2)ccc1/C=N/c1ccccc1 408960491 MFYQHDVKHKQWIU-XMHGGMMESA-N 264.372 4.346 30 40 CIEB CC(C)c1ccc(/C=N/c2cccc(C(=O)O)c2)cc1 492987 IABGPYIRUZFPGV-WOJGMQOQSA-N 267.328 4.259 30 40 CIEB Cc1[nH]c2ccccc2c1/C=N/c1oc(C)c(C)c1C#N 1098518 GFAPEOYZQFOBFL-DJKKODMXSA-N 277.327 4.308 30 40 CIEB CCC(CCC#N)(CCC#N)C(=O)c1ccc(C)s1 1596570 PPEDFJVDCVHVSO-UHFFFAOYSA-N 274.389 4.243 30 40 CIEB O=C(/C=C(/c1ccccc1)N1CCCCC1)c1ccccc1 5699294 WXQOXQQWEANKJI-MNDPQUGUSA-N 291.394 4.396 30 40 CIEB O/N=C1\C[C@@H](c2ccccc2)Oc2ccc(Cl)cc21 6061857 BXFSXGPNJNTWDP-XOAFGZPJSA-N 273.719 4.042 30 40 CIEB N#Cc1ccc(Oc2cccc(Br)c2)cc1 19867380 MWKJPIMAYNGEFN-UHFFFAOYSA-N 274.117 4.113 30 40 CIEB CN(C)c1ccc(/C=C2/CCC(=C3CCCC3)C2=O)cc1 33403319 JOZDGEVGCFJMEW-SSZFMOIBSA-N 281.399 4.370 30 40 CIEB CSc1cc(-c2cccc3ccccc23)oc(=O)c1C#N 38881786 SFUVNIAVTJVTHZ-UHFFFAOYSA-N 293.347 4.054 30 40 CIEB Cc1ccc(C(=O)/C=C/Nc2ccc(F)cc2F)cc1 479038 ANQOPOHUQAWVMK-CMDGGOBGSA-N 273.282 4.082 30 40 CIEB C/C=C/C=N/c1c(Cl)c(Cl)nc(C(=O)O)c1Cl 5371681 BMYBAZYHCSGFKQ-BYUCVARHSA-N 293.537 4.018 30 40 CIEB CCOc1c(Cl)cc(/C=N/c2ccccc2)cc1OC 6958144 ZVJONMLJHAQQES-WOJGMQOQSA-N 289.762 4.498 30 40 CIEB CCCC[C@H](CC)CNC(=O)Nc1ccc(CC#N)cc1 71850078 LXMMQIHGMOYIMO-AWEZNQCLSA-N 287.407 4.091 30 40 CIEB CCCCC[C@H](O)C#Cc1ccc(OC(C)(C)C)cc1 95631435 ARUNHWMBJWVAGY-INIZCTEOSA-N 274.404 4.157 30 40 CIEB N#Cc1cc(Br)c(Cl)nc1-c1ccccc1 96510636 SAHPMMJJWZRVRY-UHFFFAOYSA-N 293.551 4.036 30 40 CIEB C(=N\c1nccs1)\c1ccc(/C=N/c2nccs2)cc1 104206957 MWMRGTIKTBCZLF-BUOZRGFLSA-N 298.396 4.101 30 40 CIEB O=C(C1=C[C@@H]2Cc3ccccc3[C@@H]2C=C1)c1ccccc1 5870778 XNZMADWRKFHRFQ-PKOBYXMFSA-N 272.347 4.322 30 40 CIEB CC(C)(C)c1ccc(C#C[C@](C)(O)c2ccccc2)cc1 95631496 ABBFVTPEAYJECW-FQEVSTJZSA-N 278.395 4.243 30 40 CIEB CC1(C)CC(=O)C/C(=N\c2ccc(Cl)cc2[N+](=O)[O-])C1 100098458 BKBIFCNHOBUVCE-MHWRWJLKSA-N 294.738 4.100 30 40 CIEB CC1(C)[C@H]2C=C/C(=N\Nc3ccccc3)[C@@]1(C)CC2 100363442 BRWUQZIWYMVOHR-GNVSXLNQSA-N 254.377 4.467 30 40 CIEB C/C(=N\NCc1ccc(Cl)cc1)c1ccc(C)cc1 408711786 KILOSYMGHOMJDS-CPNJWEJPSA-N 272.779 4.162 30 40 CIEB O=C1C=CC(=Nc2ccc3[nH]c4ccccc4c3c2)C=C1 4538429 FMKXFJQAVQXMPX-UHFFFAOYSA-N 272.307 4.089 30 40 CIEB in-vitro Cc1ccc(Cl)c(N/C=C/C(=O)c2ccccc2)c1 4591662 GQYZSZCQGISSBJ-MDZDMXLPSA-N 271.747 4.457 30 40 CIEB C/C(=N\Nc1ccc(F)cc1F)c1ccccc1Cl 5162003 SAULHVBVZONIGO-GIJQJNRQSA-N 280.705 4.454 30 40 CIEB CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1O 5464030 WTNRHWYPUDRUSR-WOJGMQOQSA-N 269.344 4.158 30 40 CIEB CCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccccc1 19832448 IUSVQQNIYFXILW-UHFFFAOYSA-N 299.377 4.432 30 40 CIEB Cc1ccc([C@@H]2CCCN2Cc2ccc(C#N)cc2)cc1 32754401 XTMYTFMMLYNXFF-IBGZPJMESA-N 276.383 4.204 30 40 CIEB CCOc1ccc(/N=C/c2ccccc2Cl)c(O)c1 100344949 HECCMQPFOYBWEB-LICLKQGHSA-N 275.735 4.195 30 40 CIEB C[C@H](NCc1cccc(C#N)c1)c1ccc2c(c1)CCCC2 11093028 LHJKLWBOZREGQK-HNNXBMFYSA-N 290.410 4.288 30 40 CIEB FC(F)(F)c1ccccc1N/N=C1/CCc2ccccc21 33861231 YLMLZGGSGCGINZ-ZHZULCJRSA-N 290.288 4.468 30 40 CIEB CCOc1ccc(C(=O)/C=C/Nc2ccc(F)cc2)cc1 51318833 AKDICRZDQCYESS-VAWYXSNFSA-N 285.318 4.033 30 40 CIEB C=C(C(=O)c1ccccc1)[C@H](C)CC(=O)c1ccccc1 501366 OOADQCRZDPSFER-CQSZACIVSA-N 278.351 4.335 30 40 CIEB O=C1C=CCCCC1(c1ccccc1)c1ccccc1 1585480 MOCYXASXENUYSV-UHFFFAOYSA-N 262.352 4.282 30 40 CIEB C(=N/N(c1ccccc1)c1ccccc1)\c1ccccn1 5162972 RRUYZUKIYKHCNR-HMMYKYKNSA-N 273.339 4.254 30 40 CIEB C=C(Cl)CSc1nnc(Nc2ccccc2C)s1 6650336 BAJKRAZNLPJHJC-UHFFFAOYSA-N 297.836 4.435 30 40 CIEB COc1ccc2ccccc2c1/C=C/C(=O)c1ccco1 58420674 UGWUXTDSXPCJRW-MDZDMXLPSA-N 278.307 4.338 30 40 CIEB CCCC[C@H](O)C#Cc1ccc(-c2ccccc2)cc1 95632842 IUSYGMNNSNGDRV-IBGZPJMESA-N 264.368 4.256 30 40 CIEB Cc1ccccc1/N=C\c1cccn1-c1ccc(O)cc1 409016777 IVJMGFPBIVWKEI-UYRXBGFRSA-N 276.339 4.242 30 40 CIEB CCOc1cccc(/C=N\c2cccc(C)c2C)c1 409215330 ZBAMXLSOOVSULV-PDGQHHTCSA-N 253.345 4.453 30 40 CIEB Cc1nc(Oc2ccc(F)cc2)c(C#N)c(C)c1Cl 127963 JEYSGENWPNWBMT-UHFFFAOYSA-N 276.698 4.155 30 40 CIEB Cc1cc(N/N=C/c2sccc2C)c2ccccc2n1 41127770 XQVOYQRGVCOBOC-LICLKQGHSA-N 281.384 4.359 30 40 CIEB CSc1ccc(/N=C/c2ccc(N(C)C)cc2)cc1 2160252 GRMXJEYHXLKFJH-SFQUDFHCSA-N 270.401 4.225 30 40 CIEB O=[N+]([O-])c1cccc(/C=N/c2cccc3ccccc23)c1O 3117885 JYLQYZIMSCUZHA-WOJGMQOQSA-N 292.294 4.204 30 40 CIEB CCc1ccc(C(=O)/C=C/Nc2ccc(F)cc2F)cc1 16161461 IOYJMNSDIDTMCL-MDZDMXLPSA-N 287.309 4.336 30 40 CIEB CN(C)CC(C)(C)/C(=N\Nc1ccccc1)c1ccccc1 17194725 DLVQQNUTGGBJAM-UZYVYHOESA-N 295.430 4.091 30 40 CIEB CCOc1ccc(C(=O)/C=C/c2cccc(C)c2)cc1 71977035 KOOJVTRUGOROQG-KPKJPENVSA-N 266.340 4.290 30 40 CIEB COc1ccc(/C=N/c2cc(C)ccc2C)cc1OC 100003851 LIFRPRMOUSVZMV-WOJGMQOQSA-N 269.344 4.071 30 40 CIEB biogenic Oc1ccc(/C=N/c2nc(-c3ccccc3)cs2)cc1 102479588 CWGDZTAFCAJDCC-LICLKQGHSA-N 280.352 4.266 30 40 CIEB CCc1ccc(C(=O)/C=C/Nc2ccc(C)cc2O)cc1 208475 LFXJZPLAENYYJC-ZHACJKMWSA-N 281.355 4.072 30 40 CIEB C=CCOc1ccc(Br)cc1CC(=C)C 1670369 WHTADMURFSCSNG-UHFFFAOYSA-N 267.166 4.133 30 40 CIEB C=CCN(CC=C)Cc1ccc(Cl)cc1Cl 4688999 TZKPCMNRBZFZEU-UHFFFAOYSA-N 256.176 4.167 30 40 CIEB N#Cc1nc(-c2cccs2)oc1NC1CCCCC1 6527207 INVFSZRJVJOKIN-UHFFFAOYSA-N 273.361 4.019 30 40 CIEB O=C(/C=C/c1ccccc1)C12CC3CC(CC(C3)C1)C2 8980326 HVLVTNMBNVQLQH-VOTSOKGWSA-N 266.384 4.485 30 40 CIEB O=C(/C=C/c1ccccc1OC(F)F)c1ccc(F)cc1 12693496 XRPHFSTVUPZAIM-JXMROGBWSA-N 292.256 4.323 30 40 CIEB COc1ccc(C(=O)/C=C/c2ccc(C)c(C)c2)cc1OC 59269444 FKKHGIZRBLFWIZ-VQHVLOKHSA-N 296.366 4.217 30 40 CIEB Cc1ccc(C(=O)O/N=C2\C[C@@H]3CC[C@]2(C)C3(C)C)cc1 100006263 NXAITCVPAUWQJG-JPDWSRQKSA-N 285.387 4.354 30 40 CIEB C[C@@]1(C(=O)Sc2ccccc2)O[C@]1(C)c1ccccc1 1557925 VFAGRHYULQWZDB-SJORKVTESA-N 284.380 4.010 30 40 CIEB CN(C)CCC[C@@](C#N)(c1ccccc1)C1CCCCC1 1646401 UKRGHYKLCLXWCJ-LJQANCHMSA-N 284.447 4.370 30 40 CIEB C=CCOc1ccc(CNC2CCCCCCC2)cc1 6856062 FIFXSIFIPDSRDQ-UHFFFAOYSA-N 273.420 4.454 30 40 CIEB CN(C)c1ccc(/C=N/c2cnc3ccccc3c2)cc1 16951957 XNYOYADMHVNHHA-XDHOZWIPSA-N 275.355 4.051 30 40 CIEB COc1ccc(Cl)cc1C#Cc1ccc(C)cc1 95631540 NEHKIXLZINEZRR-UHFFFAOYSA-N 256.732 4.057 30 40 CIEB CCOc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2C)cc1 65503 SFWIKMITNSSGBM-GZTJUZNOSA-N 284.315 4.053 30 40 CIEB N#CCCCSc1nc2c(cc1C#N)CCCCCC2 4335393 LVGWUWMUWZZYGX-UHFFFAOYSA-N 285.416 4.008 30 40 CIEB O=C1C=CC(=C(c2ccccc2)c2ccccc2)C=C1 5103602 MPNBBQFKLWQJIP-UHFFFAOYSA-N 258.320 4.184 30 40 CIEB C=CCNCc1cccc(OCc2ccccc2Cl)c1 6855927 NQOUJBYYPVWJKA-UHFFFAOYSA-N 287.790 4.195 30 40 CIEB O=C(/C=C/c1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 48578852 GYLMXUWITDAKJI-LZCJLJQNSA-N 293.731 4.206 30 40 CIEB Cc1c(Cl)cccc1N/C=C\C(=O)C(C)(C)C 103846644 BFKOQWMWMFUOCP-HJWRWDBZSA-N 251.757 4.189 30 40 CIEB CC1=CC[P@@+](Cc2ccccc2)(c2ccccc2)C1 104272527 FWSYNZCLPLHGMZ-LJQANCHMSA-N 267.332 4.490 30 40 CIEB CC[C@H](C)OCCCC(F)(F)C(F)(F)C(F)(F)F 1565659635 OPSMIJCBOGGCRX-ZETCQYMHSA-N 284.215 4.415 30 40 CIEB CCSc1nc2c(c([C@@H]3CC=CCC3)c1C#N)CCC2 35062 JTMQNVBCTBPIJG-GFCCVEGCSA-N 284.428 4.378 30 40 CIEB N#Cc1cccc(/N=C/c2ccc(Br)s2)c1 95282 VAFLJSRNVRKKQM-OVCLIPMQSA-N 291.173 4.133 30 40 CIEB N#Cc1ccccc1NC(=O)C1(c2ccccc2)CCCC1 2512594 FOQMJDKAARKYIS-UHFFFAOYSA-N 290.366 4.009 30 40 CIEB Fc1ccccc1C/N=C(/S)Nc1ccc(Cl)cc1 8684922 ZDNSDVVFVGAUQU-UHFFFAOYSA-N 294.782 4.377 30 40 CIEB CC(C)(C)c1cc(-c2ccc(Cl)cc2)c(C#N)c(N)n1 20389348 GQKPZAQJUMQJQX-UHFFFAOYSA-N 285.778 4.153 30 40 CIEB CC(C)C[C@@H](NC(=O)c1ccc(C#N)cc1)c1cccs1 40157305 CBKZBUZNUDCTEB-OAHLLOKOSA-N 298.411 4.137 30 40 CIEB CCCC[C@@H](CC)[C@H](O)C#Cc1cc(F)cc(Cl)c1 95633312 FGNONVSWGDCGGT-CZUORRHYSA-N 282.786 4.408 30 40 CIEB COc1cc(/C=N/c2cc(Cl)cc(Cl)c2)ccc1O 46008 VZWHZRQWVNOMLZ-CAOOACKPSA-N 296.153 4.458 30 40 CIEB CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(C)cc2C)c1 7744051 FENFUCIXPXHZQC-MDZDMXLPSA-N 293.366 4.158 30 40 CIEB Oc1ccccc1/C=N/c1ccc(Cl)cc1Cl 16980539 NHPGNCXLFDEGAR-LZYBPNLTSA-N 266.127 4.450 30 40 CIEB O[C@H]1c2ccccc2-c2ccc(/N=C/c3ccccc3)cc21 18155316 QRPSVFLMXQVQDM-DZSVRRGNSA-N 285.346 4.499 30 40 CIEB CCCC[C@H](CC)[C@@H](O)C#Cc1cc(F)cc(Cl)c1 95633315 FGNONVSWGDCGGT-BBRMVZONSA-N 282.786 4.408 30 40 CIEB Cc1cc(/C=C2/CCc3ccccc3C2=O)cc(C)c1O 96766582 DRJLGOJVMUEAMY-WJDWOHSUSA-N 278.351 4.222 30 40 CIEB N#C[C@@H]1c2ccccc2C=CN1C(=O)c1cccc(Cl)c1 3119419 CPANCYHVKSCTNU-MRXNPFEDSA-N 294.741 4.031 30 40 CIEB C[C@@H]1CCc2c(sc(/N=C/c3ccccc3O)c2C#N)C1 13590774 GKACGOGXMZWNPZ-VURRPDKYSA-N 296.395 4.201 30 40 CIEB CCSC1=CC(=O)C[C@@H](c2ccc(C)cc2)S1 26897070 QOJXNHRKJJKSRE-ZDUSSCGKSA-N 264.415 4.337 30 40 CIEB C=CCc1cccc(/C=N/c2sc(C)c(C)c2C#N)c1O 60434 BADAGJQYMKMOKG-VXLYETTFSA-N 296.395 4.421 30 40 CIEB CC[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1 5247799 KELKCHCDSYUMCO-VPSQOLIPSA-N 294.398 4.319 30 40 CIEB N#Cc1cccnc1Nc1ccc(Cl)c(Cl)c1 8395523 SJIVTTKMFXULBT-UHFFFAOYSA-N 264.115 4.004 30 40 CIEB Cc1ccc(C/N=C/c2c(O)ccc3ccccc23)cc1 32101513 OGWZJSMNRSYXCM-DEDYPNTBSA-N 275.351 4.473 30 40 CIEB N#Cc1c(Cl)cccc1SC(F)(F)C(F)(F)F 36533726 ATSKXISWTFTQFC-UHFFFAOYSA-N 287.640 4.459 30 40 CIEB CSc1ccccc1/N=C1/C=C(O)C(=O)c2ccccc21 100995229 LNFKRDLGHVBNAZ-JXAWBTAJSA-N 295.363 4.168 30 40 CIEB CSc1ccccc1/N=C\c1c(N)ccc(C)c1C 104182394 UCSUFSQKPMQEQR-ZDLGFXPLSA-N 270.401 4.358 30 40 CIEB CCCCCCCCC/C(=N/NC(=N)N)c1ccccc1 104393659 OUNFZJGOXXVYIM-SILNSSARSA-N 288.439 4.014 30 40 CIEB C=CCC(C)(C)C(=O)Nc1ccc(OC(F)(F)F)cc1 225941842 DATYRQSEMSTEEV-UHFFFAOYSA-N 287.281 4.126 30 40 CIEB COc1ccc(N=Cc2ccc3ccccc3c2O)cc1 256124402 CBCVFHZXYPGQFC-UHFFFAOYSA-N 277.323 4.305 30 40 CIEB C=CCc1cc(C(=O)Nc2ccc(C)cc2C)ccc1OC 408702936 KNOUWKVBLAWQNQ-UHFFFAOYSA-N 295.382 4.293 30 40 CIEB C=CC/N=C/c1c(NC(=O)c2ccccc2)sc(C)c1C 2075045 XVXJFHPFTFTXQL-WOJGMQOQSA-N 298.411 4.222 30 40 CIEB CCCCSc1nc2c(cc1C#N)CCCCC2 2208213 XLJUBEHLOPBPMR-UHFFFAOYSA-N 260.406 4.114 30 40 CIEB O=C(O)c1ccc(Cl)c(/N=C/C=C/c2ccccc2)c1 16954238 FSHWJQZOJIGHCI-UOMISXDJSA-N 285.730 4.454 30 40 CIEB CSc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 33848157 NKWRQWUHBYVHCP-NYYWCZLTSA-N 272.344 4.444 30 40 CIEB c1ccc(C2C3C[C@@H]4O[C@@H]4CC2C3c2ccccc2)cc1 45071393 CLXVCBHWGSWFEI-YVAWMCKGSA-N 276.379 4.361 30 40 CIEB Cc1ccc(N/N=C2\C(O)=Nc3ccc(Cl)cc32)cc1 58626219 BPPSOGQQIJHMIP-UHFFFAOYSA-N 285.734 4.066 30 40 CIEB C=CCOc1cccc(NC(=O)/C=C/c2ccc(F)cc2)c1 65878358 HFZUSVWCXOKCHZ-DHZHZOJOSA-N 297.329 4.042 30 40 CIEB CC[C@H](C)C[C@@](C)(O)C#Cc1cc(F)cc(Cl)c1 95633307 OIKCGOIQYTUMGP-NHYWBVRUSA-N 268.759 4.018 30 40 CIEB COC(=O)CCCCCCCCCC[C@@H]1CC[C@H]2O[C@H]12 100393803 JXXIAKRPDCYUOP-BFYDXBDKSA-N 282.424 4.238 30 40 CIEB in-vitro O/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 101388131 CSHSCZSZZRPRIQ-IUXPMGMMSA-N 296.153 4.381 30 40 CIEB Cc1ccc(N=C(c2ccccc2)n2nc(C)cc2C)cc1 254304759 PYOSQEGOVUFDNP-UHFFFAOYSA-N 289.382 4.435 30 40 CIEB CC(C)=CC(=O)c1ccc(OCc2ccccc2)cc1 309976250 RIVRNVUWGJAFSY-UHFFFAOYSA-N 266.340 4.415 30 40 CIEB N#Cc1c(-c2cccs2)c2c([nH]c1=S)CCCC2 279071 YFPLWQQSRJQHQF-UHFFFAOYSA-N 272.398 4.223 30 40 CIEB Cc1ccc(C)c(/C=N/Nc2ccc(C(F)(F)F)cn2)c1 6832171 XJCHMMATDYVZRL-DNTJNYDQSA-N 293.292 4.163 30 40 CIEB Cc1ccc2nc(NCc3ccccc3)c(C#N)cc2c1 19898805 OSVKDWJITWFQRV-UHFFFAOYSA-N 273.339 4.027 30 40 CIEB CCCC[C@H](CC)[C@H](O)C#Cc1ccc(C)cc1C 95633510 WWFYUDGVECMPJY-FUHWJXTLSA-N 258.405 4.232 30 40 CIEB Cc1ccccc1CSc1nc(C)c(C)c(C)c1C#N 301297 WBQFWOFSXHDXTK-UHFFFAOYSA-N 282.412 4.479 30 40 CIEB CSc1nc(-c2ccccc2)c2c(c1C#N)CCCC2 509167 HMVDAHYCVHQEFI-UHFFFAOYSA-N 280.396 4.221 30 40 CIEB CCOc1ccc(/N=C/c2cc(Cl)ccc2O)cc1 1027988 FEZQPLTWKDCASM-LICLKQGHSA-N 275.735 4.195 30 40 CIEB CC(C)(C)C1CCC(C#N)(NNc2ccccc2)CC1 1574846 TYHDFGIUDZOKST-UHFFFAOYSA-N 271.408 4.102 30 40 CIEB CC1(C)[C@H]2CC[C@]1(C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)C2 5296084 XLLSPLQKTNGEIA-LPENIIJCSA-N 287.363 4.209 30 40 CIEB O=C1C(=CCCC2CCCCC2)C(=O)c2ccccc21 19074787 RHMWDMCKYUFJAH-UHFFFAOYSA-N 268.356 4.353 30 40 CIEB Cc1ccccc1/N=N\C(=N\Nc1ccccc1C)[N+](=O)[O-] 104211275 XVYXOGGMOVXHFY-CVCNAQRLSA-N 297.318 4.047 30 40 CIEB Cc1ccc(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)cc1 408977952 GGEZGLXCMALSFO-UHFFFAOYSA-N 285.350 4.008 30 40 CIEB CCCn1c(/N=C(\O)c2ccc(F)cc2)nc2ccccc21 3354002 KFZGXNZIBRIUJG-UHFFFAOYSA-N 297.333 4.222 30 40 CIEB COC(=O)CCCCCCCCCC[C@H]1CC[C@@H]2O[C@H]12 4722562 JXXIAKRPDCYUOP-YQQAZPJKSA-N 282.424 4.238 30 40 CIEB in-vitro C=CCSc1nnc(-c2ccc3ccccc3c2)o1 5976111 CPAGDMBOJRYKJQ-UHFFFAOYSA-N 268.341 4.168 30 40 CIEB CCCCCCCC(=O)c1cc(C)ccc1OC(C)=O 100937274 QRENTGBWINYBQH-UHFFFAOYSA-N 276.376 4.464 30 40 CIEB Cc1cc(C(=O)O)ccc1/N=C/c1ccc(Cl)s1 408967211 QWBTVNOXFWMOPE-VIZOYTHASA-N 279.748 4.159 30 40 CIEB CN1/C(=C\C=Nc2ccccc2)C=Cc2ccccc21 584905968 VKAYIEVWCWYMCO-OWMXDWKISA-N 260.340 4.436 30 40 CIEB CCOc1cc(/C=C2/Sc3ccccc3C2=O)ccc1O 126484 HWCYXDCGTUMEND-MHWRWJLKSA-N 298.363 4.120 30 40 CIEB C[C@@H](NCc1cccc(C#N)c1)c1cc2ccccc2o1 22817409 VUYUOHYLZJSHTN-CYBMUJFWSA-N 276.339 4.155 30 40 CIEB Cc1cccc(N/N=C2/CCSc3ccccc32)c1 31719456 CQRAGFHHZOXBFQ-SDXDJHTJSA-N 268.385 4.307 30 40 CIEB C=C(Br)CCc1ccc(Cl)c(C)c1 952958828 SFHJMSBUTSPKDZ-UHFFFAOYSA-N 259.574 4.490 30 40 CIEB CC(=O)/C(=C/c1ccc(Cl)cc1)c1ccccc1 1663944 OHUPHNWMLWIYGY-WJDWOHSUSA-N 256.732 4.470 30 40 CIEB COc1ccc(C[C@@H](C#N)c2ccc(Cl)cc2)cc1 1712786 AILTUCAOQVQFQZ-AWEZNQCLSA-N 271.747 4.198 30 40 CIEB CSc1nc(C)cc(/C=C\c2ccccc2)c1C#N 5394196 VAIXFPMYBANHFL-HJWRWDBZSA-N 266.369 4.154 30 40 CIEB COc1ccc(C)cc1N/C=C/C(=O)c1cc(C)ccc1C 44844414 LXCPPQOMCIWJKR-MDZDMXLPSA-N 295.382 4.429 30 40 CIEB C=C(C)[C@@H]1CC=C(/C=C/c2cc[n+](C)cc2C)CC1 5019029 RYBCUIJZZZGKHO-PYUISTEWSA-N 254.397 4.135 30 40 CIEB Cc1cc(C)nc(N/N=C/c2ccc([C@H]3C=CCC3)s2)n1 5447277 JPLMFZARQPRXMH-VZWMTCDZSA-N 298.415 4.035 30 40 CIEB CN(C)c1ccc(/C=N/N=C2\C[C@H]3CC[C@@]2(C)C3(C)C)cc1 103743851 VARLEWUJAPSYLP-QCWKWMOOSA-N 297.446 4.374 30 40 CIEB CCCCOP(=O)(/N=C\OC(C)C)OCCCC 104075069 AHMIIGMAQLWFDQ-QBFSEMIESA-N 279.317 4.181 30 40 CIEB CCCCCCC[S@@](=O)c1nc2ccccc2s1 104156834 YFRAFLJNMZZPMA-SFHVURJKSA-N 281.446 4.374 30 40 CIEB CCOc1cccc(/C=N/c2ccc(C)cc2C)c1O 5273525 IKBFMRBTFQAROW-WOJGMQOQSA-N 269.344 4.158 30 40 CIEB Cc1ccc([C@@H]2CCC[C@@H]2N(C)c2ccc(C#N)cn2)cc1 76063780 CUCNAQJDJVIHTE-ROUUACIJSA-N 291.398 4.034 30 40 CIEB C#CCOc1cccc(/C=N\c2ccc(C)c(C)c2)c1 409208513 CQBZBVJPFLMLJV-UYRXBGFRSA-N 263.340 4.066 30 40 CIEB C=CCc1ccccc1N[C@H](C(=O)OCC)c1ccccc1 344481 NOTVTHQVSUDTPD-SFHVURJKSA-N 295.382 4.131 30 40 CIEB CCCOC(=O)c1ccc(/N=C/c2sccc2C)cc1 2891418 TZZYKVJGTIOWFO-GZTJUZNOSA-N 287.384 4.374 30 40 CIEB CCC(CC)C(=O)Nc1sc2c(c1C#N)CCCCC2 5917558 ZTRHBIUZFRVSHV-UHFFFAOYSA-N 290.432 4.263 30 40 CIEB O=C1/C(=C\c2cccc(Cl)c2)Cc2ccccc21 84727 KLAHLAAXUZQNTH-JYRVWZFOSA-N 254.716 4.162 30 40 CIEB Clc1ccccc1/C=N/N=C/c1ccccc1Cl 1577123 WQRRWZFEJAGOIY-BEQMOXJMSA-N 277.154 4.446 30 40 CIEB C=CCCCCCCCCC(=O)N=c1[nH]c2ccccc2[nH]1 5824005 AVBSRTGWOTUFSF-UHFFFAOYSA-N 299.418 4.230 30 40 CIEB N#Cc1cccc(/C=C/C(=O)c2nc3ccccc3s2)c1 12796110 PXXIRMHHAJRVBW-CMDGGOBGSA-N 290.347 4.064 30 40 CIEB N#Cc1sc2cc(Br)ccc2c1Cl 40175346 FSMUFMSJQTVVDO-UHFFFAOYSA-N 272.554 4.189 30 40 CIEB CCOc1cccc(/C=N/c2cc(F)ccc2Cl)c1O 44836033 GJLIDWJXVSEIHX-GIJQJNRQSA-N 293.725 4.334 30 40 CIEB Fc1ccc(/N=C/c2cccn2-c2ccccc2)cc1 408850743 DOOFKWBXJJYJEG-CPNJWEJPSA-N 264.303 4.367 30 40 CIEB O=Cc1ccc(/C=N/n2c3ccccc3c3ccccc32)cc1 500825 XASYKMPSHPXOPY-FYJGNVAPSA-N 298.345 4.489 30 40 CIEB C=CCSc1ncc(-c2cccc(Cl)c2)cn1 3133756 ZVNMQLFYJUJBIN-UHFFFAOYSA-N 262.765 4.075 30 40 CIEB C#CC1(OC(C)=O)CCCCCCCCCCC1 4980438 QJYWDUHNRANLST-UHFFFAOYSA-N 250.382 4.226 30 40 CIEB CSc1ccccc1N/C(S)=N/C1CCCC1 13812606 VLHZIBFEGSXYNR-UHFFFAOYSA-N 266.435 4.049 30 40 CIEB C[C@H]1CCCc2c(-c3ccccc3)c(C#N)c(N)c(C#N)c21 16609137 MWAJRHQVORZRPN-LBPRGKRZSA-N 287.366 4.119 30 40 CIEB CCCCc1ccc(/N=C\c2ccccc2O)cc1 16951226 SOFZORBDWLDPNC-AQTBWJFISA-N 253.345 4.485 30 40 CIEB N#Cc1ccccc1CSc1nc2ccc(N)cc2s1 42141653 PYYVSURKGFEEMI-UHFFFAOYSA-N 297.408 4.042 30 40 CIEB N#Cc1cc2cc(-c3ccc(Cl)cc3)[nH]c2cc1C#N 78547683 FSDSAPNOIYZWDI-UHFFFAOYSA-N 277.714 4.232 30 40 CIEB CCOCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083808025 VTSBKUYGICEDNX-UHFFFAOYSA-N 292.141 4.086 30 40 CIEB Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)c(O)c1 59960 VBKIAEPLFTYVIY-REZTVBANSA-N 296.153 4.464 30 40 CIEB COc1ccc2ccccc2c1/C=N/c1cccc(C#N)c1 65767 AIOQKTWFZXFZPX-FYJGNVAPSA-N 286.334 4.471 30 40 CIEB Cc1c(Cl)cccc1N/N=C/c1ccc([N+](=O)[O-])cc1 4548061 KRROFUDLPZFQPT-CXUHLZMHSA-N 289.722 4.003 30 40 CIEB CN(C)C1=C/C(=N/c2ccccc2)SC(C)(C)C1 5663865 WFGYODUSKPXWNM-PEZBUJJGSA-N 260.406 4.078 30 40 CIEB CSc1ccc(C(=O)/C=C/c2cccs2)cc1 17197922 SNOBGGDFVOKDMD-CMDGGOBGSA-N 260.383 4.366 30 40 CIEB CCOC(=O)c1ccc(/N=C/c2ccc(CC)cc2)cc1 131118 WHTHPZIFKMIDHK-CPNJWEJPSA-N 281.355 4.176 30 40 CIEB CSc1c(C#N)sc(=S)n1-c1ccc(C)cc1 1403349 RVFKDYKAHKQQBR-UHFFFAOYSA-N 278.427 4.170 30 40 CIEB C=C1c2[nH]c3ccccc3c2[C@@H]2[C@@H](CC)[C@H]1CCN2C 1699363 MFFIRXGJJPPAMA-LXIYXOSZSA-N 266.388 4.214 30 40 CIEB O=C(/C=C/c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 5128405 BYMWAYJKQGUEKW-BQYQJAHWSA-N 287.702 4.144 30 40 CIEB COc1ccc2[nH]cc(/C=C/C(=O)c3ccccc3)c2c1 5398010 VHJOXIBXXLVAKG-JXMROGBWSA-N 277.323 4.073 30 40 CIEB CCCOC(=O)c1ccc(/N=C/c2ccc(C)cc2)cc1 5431111 ZGLKHEZJIHCWJH-CPNJWEJPSA-N 281.355 4.312 30 40 CIEB CCOc1ccccc1/C=N/c1cccc(C)c1C 2166361 LOZGOVQLDSAJPO-LDADJPATSA-N 253.345 4.453 30 40 CIEB CCCCOP(=O)(OCCCC)O[C@@H](C#N)CCC 5821496 KWULWOZTURJEDW-CYBMUJFWSA-N 291.328 4.437 30 40 CIEB C=CCNCc1ccc(OCc2ccccc2Cl)cc1 6855883 KADIQHGUBAEUET-UHFFFAOYSA-N 287.790 4.195 30 40 CIEB COc1ccc(C(=O)/C=C/Nc2ccc(C)cc2C)cc1 32100075 BTATWILONLKWIC-ZHACJKMWSA-N 281.355 4.121 30 40 CIEB C=CCOc1c(Cl)cc(C(C)(C)C)cc1C=O 225275983 NRSMKKCSJUGHPU-UHFFFAOYSA-N 252.741 4.015 30 40 CIEB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1 7740005 MFWBJDUOJXEWCQ-GQCTYLIASA-N 293.731 4.206 30 40 CIEB N=C1/C(=N\c2ccccc2)SC(=S)N1c1ccccc1 16451041 LAXKTHUPXVHKMB-QQJMMAPGSA-N 297.408 4.232 30 40 CIEB COc1ccc(/C=C2\C(=O)[C@H](C(C)C)CC[C@H]2C)cc1 17206700 QSTJFIAMUAVWAO-PEBNWVDGSA-N 272.388 4.350 30 40 CIEB biogenic CCCCCCCOC(=O)C(=O)OCCCCCCC 100075624 BODADHIQAXIHKU-UHFFFAOYSA-N 286.412 4.014 30 40 CIEB FC(F)(F)c1ccc(Cl)c(N/N=C/c2ccncc2)c1 4921754 OYDPGTZEEGZSSU-UFWORHAWSA-N 299.683 4.200 30 40 CIEB N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccco1 77687437 WBVOKCWOLKTBKQ-UHFFFAOYSA-N 294.335 4.132 30 40 CIEB CCCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2 100977607 IRGXQOZJQZYLCT-UHFFFAOYSA-N 277.452 4.432 30 40 CIEB CC(=O)Nc1ccc(/N=C/C=C/c2ccccc2)cc1 1703337 VBVIHTXIAIZPPN-XKKIXLAPSA-N 264.328 4.061 30 40 CIEB C=CCCC[C@@H](C(=C)C)S(=O)(=O)c1ccc(C)cc1 2074657 FPJLYBGCJSGIEL-INIZCTEOSA-N 278.417 4.070 30 40 CIEB N#Cc1ccccc1OCc1csc(-c2ccsc2)n1 14755030 KCHLZJMZYYGTQQ-UHFFFAOYSA-N 298.392 4.322 30 40 CIEB Cc1ccc(N/N=C/C=C/c2ccccc2[N+](=O)[O-])c(C)c1 3232442 SAQVWDKILSRJJQ-FJIBGIISSA-N 295.342 4.323 30 40 CIEB C[C@H](C#N)OC(=O)c1c2ccccc2cc2ccccc12 5743745 LZRLUBWVUJDGHL-GFCCVEGCSA-N 275.307 4.062 30 40 CIEB N#Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1Cl 5750366 ASYCJKSVNQJKEP-UHFFFAOYSA-N 291.137 4.117 30 40 CIEB Oc1ccccc1/C=N/c1ccc(Cc2ccncc2)cc1 12575563 PGXIRESFZPUIOL-KGENOOAVSA-N 288.350 4.129 30 40 CIEB C(=C\c1ccccc1)\C=N\Nc1ccc2ccccc2n1 13285768 ZLBPJSKFESJFNC-RVCKOCGCSA-N 273.339 4.346 30 40 CIEB N#Cc1cccc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)c1 14177804 LJDDBDHZEKJUJZ-SNAWJCMRSA-N 291.394 4.357 30 40 CIEB C/C(=N\N=N\c1ccc(N(C)C)cc1)c1ccccc1 16941329 YALGVJXYPMFGQI-MLAGBHMLSA-N 266.348 4.261 30 40 CIEB CSc1ccc(/C=C2/COc3ccccc3C2=O)cc1 33424112 ZQGVTARIAVWXGV-RAXLEYEMSA-N 282.364 4.067 30 40 CIEB N#Cc1ccccc1OCCCOc1ccc(Cl)cc1 34652132 RIWXAALMXDYCMN-UHFFFAOYSA-N 287.746 4.060 30 40 CIEB CCCCCCCCCCCCC(=O)N1CCOCC1 95750337 LEHHXQAJLHGVBZ-UHFFFAOYSA-N 283.456 4.156 30 40 CIEB O=C1C=C[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C=C1 100359041 XODKHBBNAGXRQK-WHSGIHJSSA-N 284.358 4.205 30 40 CIEB O=C(/C=N/Nc1ccc(Cl)cc1Cl)c1ccccc1 100923640 WYEMQJUGHQUXHP-RQZCQDPDSA-N 293.153 4.274 30 40 CIEB C=CCSc1ccccc1C(=O)NCc1ccccc1C 219799817 AJMJYYUHEVXXSR-UHFFFAOYSA-N 297.423 4.203 30 40 CIEB C=CCOc1c(Br)cc(C(C)(C)C)cc1C#N 225292462 GMOMHHVEXBQNDS-UHFFFAOYSA-N 294.192 4.183 30 40 CIEB C#CCOc1ccc(Cl)cc1CNc1ccccc1C 409115139 KKICGVZFGZKPOG-UHFFFAOYSA-N 285.774 4.273 30 40 CIEB CCC(=O)C1=C(Nc2ccccc2C)CC(C)(C)CC1=O 340905 JUQJDSWJAYOPNR-UHFFFAOYSA-N 285.387 4.029 30 40 CIEB CCCCCCC[C@@H](C)OC(=O)c1ccccc1C(=O)O 2080301 YLVIBFPYEJFLTO-CYBMUJFWSA-N 292.375 4.291 30 40 CIEB N#Cc1c(N)c(-c2ccccc2F)c(F)c2ccccc12 4726101 ZQRBOMKEZMSGKW-UHFFFAOYSA-N 280.277 4.239 30 40 CIEB C/C(=N\Nc1ccc(Cl)c(Cl)c1)c1ccco1 5163109 YHBLXTPDEWUODF-OVCLIPMQSA-N 269.131 4.423 30 40 CIEB C=CCNCc1ccccc1OCc1ccccc1Cl 6855943 GCVZHTJWMYFDSG-UHFFFAOYSA-N 287.790 4.195 30 40 CIEB Cc1ccccc1/N=N/C(=N\Nc1ccccc1C)[N+](=O)[O-] 104211279 XVYXOGGMOVXHFY-RZBFYTONSA-N 297.318 4.047 30 40 CIEB C[C@@H](c1ccc(Cl)cc1)[S@@](=O)CCC(C)(C)C#N 123446312 XEIHXOAGSMCDOD-BBATYDOGSA-N 283.824 4.090 30 40 CIEB C=CCc1cc(/C=N/c2cccc(F)c2)cc(OCC)c1O 408843333 DHWBOWPQDZMNOZ-UDWIEESQSA-N 299.345 4.409 30 40 CIEB Fc1ccccc1/N=C/c1ccc(N2CCCC2)cc1 408852285 RRCZVXPZKGJTHN-CPNJWEJPSA-N 268.335 4.177 30 40 CIEB COc1ccccc1/N=C/c1ccc(N2CCCC2)c(F)c1 409107643 XFCHGEYTGNNYGI-DEDYPNTBSA-N 298.361 4.185 30 40 CIEB Cc1ccc(/N=C\c2cccc([N+](=O)[O-])c2O)cc1Cl 409108263 ZAOYVEVLTRXPAG-PXNMLYILSA-N 290.706 4.013 30 40 CIEB C/C(=C\C(=O)c1ccc(C)o1)Nc1cc(C)ccc1C 409360551 AUZSQLPFFADTOT-JLHYYAGUSA-N 269.344 4.403 30 40 CIEB C=CC[C@@]1(C)C(=O)N(c2ccccc2)c2ccccc21 383256 LOLVAUKQEWJMRT-GOSISDBHSA-N 263.340 4.199 30 40 CIEB CC(C)Nc1oc(Cc2cccc3ccccc23)nc1C#N 387707 KSKUJDSOSQDGJR-UHFFFAOYSA-N 291.354 4.111 30 40 CIEB O=C(/C=C/c1ccccc1)c1ccc(Br)s1 7718297 MYBWXBHUVCXXJX-VOTSOKGWSA-N 293.185 4.407 30 40 CIEB Cc1ccc(-c2cc(-c3ccc(C)o3)nc(N)c2C#N)cc1 20131238 PEOVDQIFWZWPCZ-UHFFFAOYSA-N 289.338 4.079 30 40 CIEB O/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 100123049 RYRUJBVKIOISNY-MKMNVTDBSA-N 256.088 4.062 30 40 CIEB CC1(C)C[C@@]2(C)C[C@@](O)(C1)[C@]13CCC(C)(C)C[C@]1(C2)O3 102452878 UFSXGZYPTCAWHX-WNRNVDISSA-N 278.436 4.056 30 40 CIEB CN1C=C[C@H]([C@H](C#N)c2ccccc2)c2ccccc21 1615098 CYTQRUOSBUDSIB-DOTOQJQBSA-N 260.340 4.041 30 40 CIEB CCCCCC[C@](C)(O)C#C[C@](C)(O)CCCCCC 16892388 WDWJDXFFWSXMBZ-HDICACEKSA-N 282.468 4.433 30 40 CIEB CC1(C)CC(O)=C(/N=N/c2ccc(F)cc2)/C(=N/O)C1 95929226 GOVBINZOMCCBIE-WWWFFXTOSA-N 277.299 4.329 30 40 CIEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C\Nc1ccccc1 100367241 LBVBAIXYJUONAC-JAVQZPJPSA-N 255.361 4.008 30 40 CIEB N#Cc1ccc(/C=C/C(=O)SC2CCCCC2)cc1 114596 KQRQGSFAJQNSQZ-ZHACJKMWSA-N 271.385 4.164 30 40 CIEB CSc1ccc(CCC(=O)c2cccc(C#N)c2)cc1 2516649 JRIVSQKJAIKEIA-UHFFFAOYSA-N 281.380 4.096 30 40 CIEB C(#CC1=CCCCC1)CN1CCCC[C@@H]1c1cccnc1 55243441 LDCHKIYGVZBRRG-LJQANCHMSA-N 280.415 4.112 30 40 CIEB biogenic CCCCCCCCCCCC(=O)N(CC)CCC(=O)O 100921969 FSZIIWCWKBJAIP-UHFFFAOYSA-N 299.455 4.231 30 40 CIEB COc1cc(C)c(/C=N/c2ccc(C)cc2)cc1OC 408548008 BSCZCEUTTAOINW-WOJGMQOQSA-N 269.344 4.071 30 40 CIEB C=CCN1C(=O)S/C(=C/c2ccc(C(C)C)cc2)C1=O 409090572 RIFFWGKYWUVMKQ-GXDHUFHOSA-N 287.384 4.032 30 40 CIEB Fc1ccccc1/C=N/N=C1/Nc2cccc3cccc1c23 15634798 IXLPFXLIYCVMJP-RGVLZGJSSA-N 289.313 4.185 30 40 CIEB Cc1ccc(/N=N\C(=N\Nc2ccc(C)cc2)[N+](=O)[O-])cc1 16927957 LKZGISCSQMBLRH-CVCNAQRLSA-N 297.318 4.047 30 40 CIEB N#C[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1 26895112 ZKQZXOHHGSSQLN-FUHWJXTLSA-N 296.801 4.079 30 40 CIEB CCCCCn1c(C#N)cc(N)c1Cc1ccc(C)cc1 225852945 KBENCKKPLWVVON-UHFFFAOYSA-N 281.403 4.031 30 40 CIEB CC[C@H](C)c1ccc(NC(=O)c2ccc(C#N)cc2)cc1 2648929 MOMFIHUTLDXZAF-ZDUSSCGKSA-N 278.355 4.324 30 40 CIEB Cc1ccc(/C=C2\CCc3ccccc3C2=O)s1 3332535 ABFKVELQTCQELK-JLHYYAGUSA-N 254.354 4.269 30 40 CIEB Cc1ccc(O)c(/C=N/c2sc3c(c2C#N)CCCC3)c1 4150686 LCNFSFJZAZUZKW-VXLYETTFSA-N 296.395 4.263 30 40 CIEB ON=C(CCc1ccccc1)CCc1ccccc1 4428998 VTHWAUGCBLOFEG-UHFFFAOYSA-N 253.345 4.082 30 40 CIEB CC1(C)[C@@H]2CC[C@H]3C[C@@H](CCC#N)CC[C@H]3[C@@]21C#N 5757380 CTCLHILTZWHHQS-JBXGNFEISA-N 256.393 4.282 30 40 CIEB CCc1ccc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1 6619474 PCWFOISUGSZKHX-FMIVXFBMSA-N 296.366 4.162 30 40 CIEB CCc1ccc(/N=C/c2ccc(OC)cc2OC)cc1 8085026 RQKZBMIKUOTJSP-LDADJPATSA-N 269.344 4.017 30 40 CIEB C=CC/N=c1\scc(-c2ccc(Cl)cc2)n1CC=C 16804911 UERYXQRRKXXDJJ-ICFOKQHNSA-N 290.819 4.143 30 40 CIEB CCOc1cccc(/N=C\c2ccc(N3CCCC3)cc2)c1 408959511 ADQBBMCPHGEOQC-HKWRFOASSA-N 294.398 4.436 30 40 CIEB Cc1cc(/C=C/c2ccccc2)c(C#N)c(=S)[nH]1 58483 PXCLOCSRFMKGES-BQYQJAHWSA-N 252.342 4.095 30 40 CIEB O=C1/C(=C\c2cccc(Br)c2)Cc2ccccc21 247988 BVIWTKYMZMLBTA-JYRVWZFOSA-N 299.167 4.272 30 40 CIEB CCCCCCC1CC[S+](c2cc(O)ccc2O)CC1 4084785 DWZVZUDOUWOIOM-UHFFFAOYSA-O 295.468 4.455 30 40 CIEB C=CCCCCCCCCC(=O)Nc1cccnc1 4661199 HRZZCERSFVXIOM-UHFFFAOYSA-N 260.381 4.327 30 40 CIEB Cc1ccc(O)c(/C=N/c2ccc(Br)cc2)c1 6189442 DWNCSNIUZFEISK-CXUHLZMHSA-N 290.160 4.214 30 40 CIEB Oc1ccccc1/C=N\c1cccc2c1CCCC2 22727259 UGWWCVVXRBXSCH-PDGQHHTCSA-N 251.329 4.022 30 40 CIEB CN1CCCCC/C1=N\c1nc(-c2ccccc2)cs1 57638687 DVDVAHPIOQVJTP-OBGWFSINSA-N 285.416 4.346 30 40 CIEB CCCCCC[C@](C)(O)C#Cc1cc(C)cc(F)c1 95632274 BTQSYSODGVRDIQ-KRWDZBQOSA-N 262.368 4.207 30 40 CIEB CC(/N=N\c1ccccc1[N+](=O)[O-])=N/Nc1ccccc1 104138955 XVNRFTXLVLVTBB-IDWLHPRGSA-N 283.291 4.124 30 40 CIEB C=CCc1cc(CNc2cccc(C)c2)cc(OC)c1OC 409115962 KBMVAILCZZAHBJ-UHFFFAOYSA-N 297.398 4.353 30 40 CIEB Cc1ccc(/N=C/c2cc3cc(C)ccc3[nH]c2=O)c(C)c1 531343 XVTAKWHGZPGZKY-RGVLZGJSSA-N 290.366 4.204 30 40 CIEB N#CCOc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 5852362 IDORDBUWCGDCTR-XCVCLJGOSA-N 297.741 4.138 30 40 CIEB CCCCCC[C@@](C)(O)C#Cc1ccc(C)cc1C 95633531 PTGWXFUXSNBKON-GOSISDBHSA-N 258.405 4.376 30 40 CIEB Cc1ccc(Cl)cc1/N=C/c1cc([N+](=O)[O-])ccc1O 5288315 DAAOEZWVLSUVCR-LZYBPNLTSA-N 290.706 4.013 30 40 CIEB CCOc1cc2c(cc1/C=N/c1ccc(C)cc1C)OCO2 409104869 KKMGQRUDYDEVKE-VXLYETTFSA-N 297.354 4.181 30 40 CIEB COc1cccc(/C=N\c2cc(Cl)ccc2C)c1 409209299 IQWVZTWOTYEQBV-YVLHZVERSA-N 259.736 4.408 30 40 CIEB CC1=C(B2OC(C)(C)C(C)(C)O2)C(C)(C)CCC1 1857794154 YZDFHKSIBAOTNP-UHFFFAOYSA-N 250.191 4.144 30 40 CIEB CC[C@H](C)C[C@](C)(O)C#Cc1cccc(Cl)c1C 95631563 YBROSYPIHNQFQL-BLLLJJGKSA-N 264.796 4.187 30 40 CIEB O/N=C1/CCCCCCCCCC[C@@H]1n1cccn1 100964984 WVDXNDICKWPCMT-YIQZXQSLSA-N 263.385 4.169 30 40 CIEB C=CCOc1ccc(NC(=O)c2ccc(C)cc2C)cc1 222646838 RPVQPWZHWBVLGK-UHFFFAOYSA-N 281.355 4.121 30 40 CIEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2cccc(O)c2)C1 408563891 RSPYUMOLJJDMAX-FNDVETGQSA-N 287.403 4.493 30 40 CIEB CCc1ccc(C(=O)/C=C/N[C@@H](C)c2ccccc2)cc1 409093899 BLYNKRNKOYXCJV-BUYIWHAFSA-N 279.383 4.296 30 40 CIEB Cc1ccc(/N=C/c2ccc(Br)o2)cc1 5380368 ZNMDMJPZDAPNDN-RIYZIHGNSA-N 264.122 4.101 30 40 CIEB Cc1ccc(C(=O)C(CCC#N)(CCC#N)CCC#N)cc1 1596325 FEGPPHGAJSUBAE-UHFFFAOYSA-N 293.370 4.075 30 40 CIEB C[C@@H](CCc1ccccc1)Nc1nc(Cl)c(C#N)s1 4107474 JDXVLDGVYSFHRX-JTQLQIEISA-N 291.807 4.101 30 40 CIEB CCCC[C@H](CC)[C@H](O)C#Cc1cccc(Cl)c1 95631773 HKWSKUGLUUXABM-GOEBONIOSA-N 264.796 4.269 30 40 CIEB Cc1ccc(C(=O)/C=C\Nc2ccc(Cl)cc2)cc1 100661916 BYBQYOXMJTZJRU-KHPPLWFESA-N 271.747 4.457 30 40 CIEB N#CC1(c2ccc3c(Br)cccc3c2)CC1 261238118 UILQSCLHVPIOMI-UHFFFAOYSA-N 272.145 4.157 30 40 CIEB CCn1c(C)cc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)c1C 409106857 PQDZVUSCGFTCAJ-YVLHZVERSA-N 285.347 4.092 30 40 CIEB Cc1cc(C)cc(N/C=C/C(=O)c2cccs2)c1 409345576 JPKLEOQWXIYIIN-AATRIKPKSA-N 257.358 4.173 30 40 CIEB C/C(=N\NC(=S)Nc1cccc(C)c1)c1ccc(C)cc1 27895 XPVNNQBLCXFJEH-XMHGGMMESA-N 297.427 4.014 30 40 CIEB O=C(/C=C/c1c(F)cccc1F)c1ccc(F)cc1 6339616 HWQCVXQZSOJAMT-CMDGGOBGSA-N 262.230 4.000 30 40 CIEB Clc1ccc(N/N=C2/CCCc3ccccc32)cc1 96681361 WXEXKBLOCVJPCK-MNDPQUGUSA-N 270.763 4.493 30 40 CIEB O=C1CCCCC/C1=C\Nc1cccc(Br)c1 108132236 MEEDAZOUGXOZEN-ZHACJKMWSA-N 294.192 4.278 30 40 CIEB C[C@H]1CCC/C(=C/Nc2ccccc2C(F)(F)F)C1=O 409177804 HNHZBZGOJKCEMX-RGAIUGGKSA-N 283.293 4.390 30 40 CIEB O/N=C1\C[C@@H](c2ccc(Cl)cc2)Oc2ccccc21 161809 LNIUSMGRSBSFKY-XOAFGZPJSA-N 273.719 4.042 30 40 CIEB CCOc1ccc(/C=N/c2cccc(C)c2C)cc1 3098163 YLKYNCXONCLJAQ-LDADJPATSA-N 253.345 4.453 30 40 CIEB C[C@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 12759311 DJLYNGHLEJQLRO-LBPRGKRZSA-N 270.763 4.062 30 40 CIEB Cc1ccc([C@H]2C[C@@H]2/C(=N/O)c2ccc(F)cc2)cc1 13132587 NMEWOZJNPFNNIR-WMYGCIETSA-N 269.319 4.116 30 40 CIEB Cc1nc(CSCCCC(C)(C)C#N)cs1 95419528 YWDQKXSRVCJPEZ-UHFFFAOYSA-N 254.424 4.015 30 40 CIEB N#CCCCOc1cc(C(F)(F)F)ccc1Cl 95733717 OQBGBPWXIVJIIQ-UHFFFAOYSA-N 263.646 4.041 30 40 CIEB CCCCCCCNC(=O)c1cc2cc(C)ccc2n1C 98045599 WJBKZRYSIFQRKM-UHFFFAOYSA-N 286.419 4.187 30 40 CIEB CC(C)=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100486665 IILTXJIAJDFVEK-UHFFFAOYSA-N 274.126 4.421 30 40 CIEB Cc1ccc(/N=C/c2sccc2C)cc1[N+](=O)[O-] 96016 DPBRYJYVKUYFFK-RIYZIHGNSA-N 260.318 4.024 30 40 CIEB CCCCCCCSc1ccc(C(=O)O)cc1 1723529 LFIZZGOLWFBCNM-UHFFFAOYSA-N 252.379 4.447 30 40 CIEB C=C(C)COc1cccc(C(=O)Nc2ccccc2CC)c1 8570581 PBVYICSNMZIIEL-UHFFFAOYSA-N 295.382 4.456 30 40 CIEB Cc1ccc(C(=O)/C=C/Nc2ccc(Cl)cc2)cc1 16291720 BYBQYOXMJTZJRU-ZHACJKMWSA-N 271.747 4.457 30 40 CIEB COc1ccccc1/C=N/C12CC3CC(CC(C3)C1)C2 17746473 MYAKFRXXXJBNJU-XDHOZWIPSA-N 269.388 4.083 30 40 CIEB Cc1nc2ccccc2c(N)c1C(=O)/C=C/c1ccccc1 18222325 IDGQTOBCUORHBJ-VAWYXSNFSA-N 288.350 4.022 30 40 CIEB CCCCCCCCCCC(=O)c1c[nH]c(C(=O)O)c1 95686736 FNODQQCNTXLJIR-UHFFFAOYSA-N 279.380 4.426 30 40 CIEB N#Cc1cccc(CC(O)(c2ccccc2)c2ccccc2)c1 1562869 VEXIHHXFKNPFSC-UHFFFAOYSA-N 299.373 4.037 30 40 CIEB Cc1cc(C)c(NC(=O)c2cccc(C#N)c2)c(Cl)c1 5611840 AXTOYRBMYRCSJF-UHFFFAOYSA-N 284.746 4.081 30 40 CIEB FC(F)(F)c1ccc(N/N=C/c2cccs2)cc1 6226220 CJMVRMNRSLOEBP-LZYBPNLTSA-N 270.279 4.213 30 40 CIEB O=C(/C=C/c1cccc(F)c1)c1cccc(Cl)c1 6340601 DRSKKFRNJXRFEO-BQYQJAHWSA-N 260.695 4.375 30 40 CIEB N#Cc1c(-c2cccs2)n[nH]c1SCc1ccccc1 9156745 CSXOFEOEURWJKT-UHFFFAOYSA-N 297.408 4.302 30 40 CIEB Cc1ccc(/C=C2\Sc3ccccc3C2=O)cc1[N+](=O)[O-] 12462430 VWWXFKXDQQCUKG-DHDCSXOGSA-N 297.335 4.233 30 40 CIEB Cc1c(Cl)cccc1/N=C/c1ccc2c(c1)OCO2 18022029 QBMFUVVZAWMLSZ-CAOOACKPSA-N 273.719 4.128 30 40 CIEB C/C(=N\Nc1cc(C)c2ccccc2n1)c1ccccc1 20823485 NEGOTEOVOYWXPI-XSFVSMFZSA-N 275.355 4.379 30 40 CIEB N#Cc1cc(N)ccc1Nc1ccc(Cl)cc1Cl 41020485 BKZPATNZPGVXKM-UHFFFAOYSA-N 278.142 4.191 30 40 CIEB CCc1ccc(C(=O)/C=C/Nc2cccc(C)c2)cc1 479240 KCCLXVFZMAQNEP-VAWYXSNFSA-N 265.356 4.366 30 40 CIEB Nc1ccc(C(=Nc2ccccc2)c2ccc(N)cc2)cc1 1688125 FEFWTOQTTADTDC-UHFFFAOYSA-N 287.366 4.020 30 40 CIEB N#Cc1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1 3284679 NSSHCBRGFAQVDZ-UHFFFAOYSA-N 292.121 4.084 30 40 CIEB C/C(=N\Nc1nc2ccccc2[nH]1)c1cc2ccccc2o1 5070879 WUUOLLZBVMMRJL-RGVLZGJSSA-N 290.326 4.145 30 40 CIEB CCCc1cc(C)cc(/N=C/c2ccccc2)c1O 18045163 MOJVWASFGTVFKG-LDADJPATSA-N 253.345 4.404 30 40 CIEB COc1ccc(/C=C2\C(=O)[C@H](C(C)C)CC[C@@H]2C)cc1 32109267 QSTJFIAMUAVWAO-YUTGBCIVSA-N 272.388 4.350 30 40 CIEB biogenic Cc1cccc(C(=O)/C=C/c2ccc3ncccc3c2)c1 69262956 ZMNZHVLFNWBZOR-CSKARUKUSA-N 273.335 4.439 30 40 CIEB FC(F)(F)c1ccc(Cl)nc1C(F)(F)C(F)(F)F 97949898 UXGFJUAIEIKBQW-UHFFFAOYSA-N 299.548 4.408 30 40 CIEB C=CCOc1cccc(CNc2ccc(CC)cc2)c1 409119615 XFURPTDCSMCOFS-UHFFFAOYSA-N 267.372 4.426 30 40 CIEB CC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccccc1 346682 LOLCMVVLVVXJSJ-CRAIPNDOSA-N 296.391 4.093 30 40 CIEB N#C[C@H]1CCC[C@@](c2ccccc2)(C2CCCCC2)C1=O 1564922 FFGUANRCTFBQIS-DNVCBOLYSA-N 281.399 4.397 30 40 CIEB Oc1ccccc1/N=C/c1sc2ccccc2c1O 17822307 QXNFDBJQJCPWBM-CXUHLZMHSA-N 269.325 4.063 30 40 CIEB N#Cc1cc(F)c(N[C@H]2CCCc3ccccc32)c(F)c1 84581926 OZHGMLOQZXKXGK-INIZCTEOSA-N 284.309 4.326 30 40 CIEB CCCCCC[C@@](C)(O)C#Cc1ccc(F)c(C)c1 95632369 ZKIWWPKWXUQTCQ-QGZVFWFLSA-N 262.368 4.207 30 40 CIEB CCCCC[C@H](O)C#Cc1cc(Cl)cc(Cl)c1 95632911 RTONWAAUPJOJOS-AWEZNQCLSA-N 271.187 4.286 30 40 CIEB CC[C@H]1CCc2c(sc(NC(=O)CC(C)C)c2C#N)C1 483770 MYKCJIVDSRGPCI-NSHDSACASA-N 290.432 4.119 30 40 CIEB CCCCCCCCOC(=O)c1ccc(OC)cc1 1590115 MYWIXKRFXVEVBP-UHFFFAOYSA-N 264.365 4.213 30 40 CIEB COC(=O)CCCCCCCCCC[C@@H]1CC[C@@H]2O[C@@H]21 4722560 JXXIAKRPDCYUOP-HLLBOEOZSA-N 282.424 4.238 30 40 CIEB biogenic,in-vitro Cc1c(C(=O)OCCCC#N)oc2c1ccc1ccccc12 21713502 JVKVEIIRHLYSTG-UHFFFAOYSA-N 293.322 4.355 30 40 CIEB CC(C)(C)N(CC#Cc1ccccc1)Cc1ccccc1 63393877 AQXCKTACNWGALM-UHFFFAOYSA-N 277.411 4.339 30 40 CIEB COc1cccc(/C=C2\Sc3ccccc3C2=O)c1OC 408986401 QHJZPJYCZMHCDY-GDNBJRDFSA-N 298.363 4.033 30 40 CIEB C=CCOc1cccc(CNc2cc(C)ccc2C)c1 409112498 DKEUKLQWHNYRKG-UHFFFAOYSA-N 267.372 4.480 30 40 CIEB Cn1cc(/C=C2\Cc3ccccc3C2=O)c2ccccc21 409369084 BBJIGQMXLOCXTH-SDNWHVSQSA-N 273.335 4.001 30 40 CIEB C[C@H](CC(=O)c1ccc(F)c(C#N)c1)CC(C)(C)C 575361934 RSWLAPRUTPLRRQ-LLVKDONJSA-N 261.340 4.342 30 40 CIEB CCOc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 5179927 BBDDDGMMPNQCIL-ZROIWOOFSA-N 286.352 4.071 30 40 CIEB COc1ccc(/N=C/c2ccc(OC)c(Cl)c2)cc1 8116534 BPDSXIFLLZUPKB-LICLKQGHSA-N 275.735 4.108 30 40 CIEB C#CCOc1ccc(/C=N/c2cc(C)ccc2C)cc1OC 8368054 FUWFODCVUWSLTM-DEDYPNTBSA-N 293.366 4.075 30 40 CIEB C=CCCCCCCCCC(=O)NCc1ccncc1 13281445 HMWXWKGXAPPCJA-UHFFFAOYSA-N 274.408 4.005 30 40 CIEB CCCCc1ccc(Nc2ccc(N)cc2C#N)cc1 41020809 MHLYBQXOBXDRKF-UHFFFAOYSA-N 265.360 4.227 30 40 CIEB C#Cc1cccc(NC(=O)N2CCC[C@@H]2c2ccsc2)c1 44937072 PSXHOLOOLOCONE-MRXNPFEDSA-N 296.395 4.098 30 40 CIEB CC1=Nc2ccccc2/C1=N\Nc1ccc(C)cc1C 100845040 UXSCTQXLWITMCW-JZJYNLBNSA-N 263.344 4.226 30 40 CIEB N#Cc1ccc(/C=N/Nc2ccc(Cl)c(Cl)c2)cc1 5163112 YAXVNYZKQQVNEC-GIJQJNRQSA-N 290.153 4.311 30 40 CIEB C#Cc1cccc(NC(=O)N2CCC[C@H]2c2ccsc2)c1 44937075 PSXHOLOOLOCONE-INIZCTEOSA-N 296.395 4.098 30 40 CIEB C=C(Br)CCc1c(F)cccc1Cl 71795211 ZLZJHBYNZZLYML-UHFFFAOYSA-N 263.537 4.320 30 40 CIEB Cc1csc2c(C#N)c(=S)c3ccccc3n12 1269313 SVIHYMDRYHFDLT-UHFFFAOYSA-N 256.355 4.064 30 40 CIEB Nc1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F 2243766 QIDUETMNCXXNKY-UHFFFAOYSA-N 297.120 4.325 30 40 CIEB Cc1ccccc1/N=N\C(=N/Nc1ccccc1C)[N+](=O)[O-] 4530024 XVYXOGGMOVXHFY-OAEQQSCFSA-N 297.318 4.047 30 40 CIEB CCOC(=O)[C@@H](C#N)C(CC)(CC)C1CCCCC1 5498084 KMFTUAGELRXBPH-CQSZACIVSA-N 265.397 4.076 30 40 CIEB CCCC[C@@H](CC)[C@H](O)C#Cc1ccc(F)cc1C 95632300 JXTZREPIRYUSOU-RHSMWYFYSA-N 262.368 4.063 30 40 CIEB COc1ccc(Cl)cc1NC1=CC(=O)CC(C)(C)C1 5705761 SLUZLSGQOCIZTL-UHFFFAOYSA-N 279.767 4.034 30 40 CIEB Clc1ccc(/C=N/NCc2ccc(Cl)cc2)cc1 10118824 QHXQWAOWLYLZPV-RQZCQDPDSA-N 279.170 4.117 30 40 CIEB C/C(=C\C(=O)c1ccc(C)cc1)NCc1ccc(C)cc1 32100427 YBPWCLXPRSWJHI-FOWTUZBSSA-N 279.383 4.180 30 40 CIEB CCCCCCCCCCCCN1CCC[C@H](O)C1 36351364 QXVKGKUPQPASMQ-KRWDZBQOSA-N 269.473 4.364 30 40 CIEB C=C(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100503294 IQGBDYLWSARHLD-UHFFFAOYSA-N 290.125 4.005 30 40 CIEB CC(C)c1ccc(/C=C2\Nc3ccccc3C2=O)cc1 101967209 KJCHUFVMSXOGNP-BOPFTXTBSA-N 263.340 4.459 30 40 CIEB Oc1ccc2ccccc2c1C=Nc1ccc(F)cc1 245241111 XMAKMVMGFLCDJA-UHFFFAOYSA-N 265.287 4.435 30 40 CIEB C=CCc1cc(C=O)ccc1OCc1ccc(Cl)cc1 408853791 SDWVFCQZYWBQKE-UHFFFAOYSA-N 286.758 4.460 30 40 CIEB CCc1ccc(C(=O)/C=C\Nc2cc(C(C)(C)C)on2)cc1 5954361 GDPKAZULIRJLGC-KHPPLWFESA-N 298.386 4.343 30 40 CIEB O=C1/C(=C/c2cccs2)CSc2ccccc21 13011840 ZKLIZHUKABHPJJ-CSKARUKUSA-N 258.367 4.120 30 40 CIEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)Nc1cc(C)ccc1OC)C2 100282261 JOFNLEMTDIZWSX-KUHUBIRLSA-N 299.414 4.325 30 40 CIEB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)/C(=N\O)CC[C@@H]12 104275808 UPFPBOLHKZHRQR-QXWHXVSOSA-N 299.414 4.382 30 40 CIEB CCc1ccc(/N=C/c2cc(C)c(O)c(C)c2)cc1 107957323 SOZFIMZJBINFDL-WOJGMQOQSA-N 253.345 4.322 30 40 CIEB N#Cc1c(F)ccc(NC(=O)c2ccccc2N=[N+]=[N-])c1F 199614850 XJTVBHGYHOESKM-UHFFFAOYSA-N 299.240 4.031 30 40 CIEB CC(C)(C)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 45934 PRDMRYXDKGUAIW-UHFFFAOYSA-N 278.355 4.108 30 40 CIEB N#Cc1c(NC(=O)c2ccccc2)sc2c1CCCCC2 209995 OJRHELLNDMEWCY-UHFFFAOYSA-N 296.395 4.141 30 40 CIEB C=CC[C@@H](Nc1ccccc1)c1ccc(OC)c(OC)c1 537851 XQAOERIZYMRWSJ-MRXNPFEDSA-N 283.371 4.433 30 40 CIEB C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1cccc(O)c1 100094610 SNEQASFEVWLKOJ-PKNBQFBNSA-N 287.746 4.244 30 40 CIEB C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=S)Nc2ccccc2)C1 101467201 DBQLVOPQWCHCRZ-DZTQIWHNSA-N 299.443 4.261 30 40 CIEB COc1ccccc1/N=C1\Nc2cccc3cccc1c23 1252150 JBSAXCNLIBLGIG-UHFFFAOYSA-N 274.323 4.352 30 40 CIEB CCCCCCCCNC(=O)CCc1ccccc1 2086046 UPYAMNRVNJVHBE-UHFFFAOYSA-N 261.409 4.096 30 40 CIEB N#Cc1c(Cl)cccc1O[C@H]1CCOc2ccccc21 4110248 BHTODVVBSSVNCR-INIZCTEOSA-N 285.730 4.114 30 40 CIEB Cc1ccc(C(=O)/C=C\Nc2cc(C(C)(C)C)on2)cc1 4568121 HZBDXIJNWLUWAJ-KTKRTIGZSA-N 284.359 4.089 30 40 CIEB C#CCOc1ccc(/C=N/c2ccc(CC)cc2)cc1 8084934 KNWHZBQKQCBUQW-XMHGGMMESA-N 263.340 4.012 30 40 CIEB CCCCCCCNC1=CC(=O)C[C@H](c2ccco2)C1 17440344 SUEFLJGSIPAUDW-CQSZACIVSA-N 275.392 4.170 30 40 CIEB C=CCOc1cccc(NC(=O)c2ccc(C)cc2C)c1 55722506 IFSJAMTWJJICEU-UHFFFAOYSA-N 281.355 4.121 30 40 CIEB CC(=NNc1nc2ccccc2s1)c1ccccc1 252444340 GWKADYKJUSXKLK-UHFFFAOYSA-N 267.357 4.132 30 40 CIEB C[C@@H]1CCC/C(=C/Nc2ccc(Br)cc2)C1=O 409177785 HETUNOVOZCJMEN-QLWWJYNRSA-N 294.192 4.134 30 40 CIEB Cc1ccc(C(=O)C[C@@H](c2ccccc2)C(C#N)C#N)cc1 51692 SZRLNEYBTZVYLT-SFHVURJKSA-N 288.350 4.015 30 40 CIEB C#C[C@@](C)(CCC=C(C)C)O[C@H](C)OCCCC 2299690 YGBFMTSZTTYHNR-CVEARBPZSA-N 252.398 4.304 30 40 CIEB N#Cc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 2512634 ATWRLWAETCNGOH-UHFFFAOYSA-N 290.366 4.009 30 40 CIEB N#CCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 3162321 WSBLPLBXXGQMBT-UHFFFAOYSA-N 267.172 4.180 30 40 CIEB C/C(=N\Nc1cc(C)c2cccc(C)c2n1)c1ccccn1 5706406 QZKHOWDOMYTKCT-KGENOOAVSA-N 290.370 4.083 30 40 CIEB O=C(Cc1ccccc1)C1=C[C@H]2Cc3ccccc3[C@@H]2C=C1 5871941 CASFQXBBJUEWGA-UYAOXDASSA-N 286.374 4.251 30 40 CIEB CC(C)=NNc1nc(C)nc2sc(-c3ccccc3)cc12 32760963 UVQMZQSZVRBCIN-UHFFFAOYSA-N 296.399 4.474 30 40 CIEB COc1ccc(/C(C)=N\Nc2ccccc2Cl)cc1 38374497 PQECDZYBKSWJNA-BOPFTXTBSA-N 274.751 4.185 30 40 CIEB CC[C@@H](C)C[C@](C)(O)C#Cc1cc(Cl)ccc1C 95631714 TVHAMCJNXAXAKN-MLGOLLRUSA-N 264.796 4.187 30 40 CIEB CCOc1ccc(/C=N/c2cccc([N+](=O)[O-])c2C)cc1 45882 ZFEDPGSHPHHPQS-GZTJUZNOSA-N 284.315 4.053 30 40 CIEB Cc1s/c(=N/N=C/[C@H]2CC=CCC2)[nH]c1-c1ccccc1 4954973 UJESCUXYJPHILH-QCUKBLKESA-N 297.427 4.294 30 40 CIEB C/C(C/C(C)=N/c1ccccc1O)=N/c1ccccc1O 16137291 VLWWRTKFDAUCMI-MGYAYREDSA-N 282.343 4.373 30 40 CIEB COc1c(C(=O)/C=C(\O)c2ccccc2)ccc2occc12 100003085 IHWPQGIYXJKCOV-PTNGSMBKSA-N 294.306 4.223 30 40 CIEB biogenic,in-vitro C=CCOc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1 224637896 IFEAIRBTZRSMFT-UHFFFAOYSA-N 289.419 4.196 30 40 CIEB O=C(c1ccccc1C(F)(F)F)C(F)(F)C(F)(F)F 236111374 PMIKYZWWKMWQAD-UHFFFAOYSA-N 292.125 4.086 30 40 CIEB C/C=C/C(=O)c1ccc(OCc2ccccc2)cc1 310014926 NBSZRTDFAVXXIS-QHHAFSJGSA-N 252.313 4.024 30 40 CIEB Cc1ccccc1/N=C1\N=C(O)/C(=C/c2cccnc2)S1 1249928 IEQLFSOUFBCJPO-ZROIWOOFSA-N 295.367 4.122 30 40 CIEB COc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(Cl)s1 4700600 LWGFATBQGJCCAL-VGOFMYFVSA-N 296.735 4.069 30 40 CIEB N#Cc1ccc(Oc2ncnc3ccsc23)c(Cl)c1 8704095 QRSAUBGOUSIRPX-UHFFFAOYSA-N 287.731 4.009 30 40 CIEB CC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccccc1 19228594 LOLCMVVLVVXJSJ-QAPCUYQASA-N 296.391 4.093 30 40 CIEB C=CCOc1ccc(CNCCCCCCC)cc1 100126293 CHXOTSYCRPOJNG-UHFFFAOYSA-N 261.409 4.311 30 40 CIEB C[C@H]1Nc2cc(Cl)ccc2NC2=C1C(=O)CC(C)(C)C2 5211391 HMXFZFDQFPOJTJ-SECBINFHSA-N 290.794 4.209 30 40 CIEB FC(F)(F)c1ccc(N/N=C/c2cccc(Cl)c2)nc1 5571627 CCBYJHURENFCTF-FBCYGCLPSA-N 299.683 4.200 30 40 CIEB O=C1C2=C3[C@@H](CC2)c2ccccc2C(=O)[C@@H]3c2ccccc21 40457310 RPNFFALBIIRQPH-SCLBCKFNSA-N 286.330 4.037 30 40 CIEB Cc1ccc(-c2cc3cc(C#N)c(C#N)cc3o2)cc1 78547660 VCXAXPGEDWDISB-UHFFFAOYSA-N 258.280 4.152 30 40 CIEB CCOc1cc2c(cc1/C=N/c1cc(C)ccc1C)OCO2 409107793 TWQDGZKWQOXWJM-VXLYETTFSA-N 297.354 4.181 30 40 CIEB N#CC1(c2cc(Br)cc3ccccc23)CC1 575629406 VXWRXXJMBLBAJB-UHFFFAOYSA-N 272.145 4.157 30 40 CIEB N#Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 555468 FVJALNCWDHWVES-UHFFFAOYSA-N 266.731 4.215 30 40 CIEB Cc1ccc(/C=N/n2cc(-c3ccccc3)nc2S)s1 9612923 HMLVXDCXWMVCJC-CXUHLZMHSA-N 299.424 4.091 30 40 CIEB CSc1ccccc1/N=C/c1c(N)ccc(C)c1C 17043839 UCSUFSQKPMQEQR-VCHYOVAHSA-N 270.401 4.358 30 40 CIEB Cc1ccc(/C=C2/C(=O)[C@@H]3CC[C@@]2(C)C3(C)C)cc1 44790506 IFRCODNIQRHSLF-MEMPGGEMSA-N 254.373 4.404 30 40 CIEB CCOc1ccccc1/C=C/C(=O)c1ccccc1C 71977144 WOUMJKWLNCGHTH-OUKQBFOZSA-N 266.340 4.290 30 40 CIEB Fc1c(F)c(F)c(C(F)(F)F)c(Br)c1F 73641075 HFTSBCADMASJCQ-UHFFFAOYSA-N 296.967 4.024 30 40 CIEB in-vitro C=CC[C@@H](Nc1ccccc1)c1cc(OC)ccc1OC 541110 OEHUJZWUSSYFSH-QGZVFWFLSA-N 283.371 4.433 30 40 CIEB CS/C(=N\c1ccccc1)N/N=C(/C)c1ccccc1 6360627 ISQTUDBJVBDFSM-AQTBWJFISA-N 283.400 4.051 30 40 CIEB Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(=S)[nH]2)o1 59606759 JYJXZGZPCUSQMH-UHFFFAOYSA-N 284.262 4.203 30 40 CIEB CCCCCCCc1nnc(CCCCCCC)n1N 2511415 HTAVZCVYBKYBBM-UHFFFAOYSA-N 280.460 4.018 30 40 CIEB Cc1c(/C=C\C(=O)c2ccccc2)c2ccccc2n1C 4825036 OCZTTYPHSZUWAB-SEYXRHQNSA-N 275.351 4.383 30 40 CIEB COc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OC 5129011 FVLNLLBHMYWCAD-ZHACJKMWSA-N 296.366 4.217 30 40 CIEB Fc1ccc(/N=C/c2ccc3ncccc3c2)cc1F 9470772 ZJHKZEBQGLWEBN-KEBDBYFISA-N 268.266 4.264 30 40 CIEB O=C(/C=C/c1ccccc1C(F)(F)F)c1cccc(O)c1 13135442 VFYYOTLNMIESEL-CMDGGOBGSA-N 292.256 4.307 30 40 CIEB Cc1s/c(=N/N=C[C@H]2CC=CCC2)[nH]c1-c1ccccc1 254793647 UJESCUXYJPHILH-AWEZNQCLSA-N 297.427 4.294 30 40 CIEB O=C(N=Cc1ccc(Cl)cc1)OC1CCCCC1 256080916 LXJDLIQRFJKITJ-UHFFFAOYSA-N 265.740 4.228 30 40 CIEB C#CCn1c(C)c(/C=C/C(=O)c2ccccc2)c2ccccc21 408625272 XFRVGRQWZBIUSA-BUHFOSPRSA-N 299.373 4.479 30 40 CIEB CC(F)(F)OCCCC(F)(F)C(F)(F)C(F)(F)F 1565659614 BESNESZGPIMMEA-UHFFFAOYSA-N 292.141 4.229 30 40 CIEB N#Cc1c(/N=C/N2CCCCC2)sc2c1CCCCC2 180772 NGFTWYFGERSWNQ-LDADJPATSA-N 287.432 4.034 30 40 CIEB Cc1ccc(OCCn2cc(C#N)c3ccccc32)cc1C 555479 GWGCOGKMRIWATN-UHFFFAOYSA-N 290.366 4.209 30 40 CIEB N#Cc1cccc(C(=O)CCc2cc(F)cc(Cl)c2)c1 2517739 GUUBEFBRCSMWRI-UHFFFAOYSA-N 287.721 4.166 30 40 CIEB O=C(/C=C/c1ccccc1F)/C=C/c1ccccc1F 3167877 ATKITYYWFUDIDD-WGDLNXRISA-N 270.278 4.261 30 40 CIEB N#Cc1ccccc1NC(=O)CC12CC3CC(CC(C3)C1)C2 6251731 HZKCKRMQGSPODB-UHFFFAOYSA-N 294.398 4.103 30 40 CIEB Cc1ccc(C)c(/N=C/c2ccc(O)c(Cl)c2)c1 8368011 TWWOXWNCSYSYJL-RQZCQDPDSA-N 259.736 4.413 30 40 CIEB Clc1cccc(/N=C/c2ccc(N3CCCC3)o2)c1 59138569 YFCCEPVNDVOZBU-GZTJUZNOSA-N 274.751 4.284 30 40 CIEB Cc1cc(/N=C\c2cccs2)cc(Cl)c1O 104205999 ZZLCMNUPFQSLTK-AUWJEWJLSA-N 251.738 4.166 30 40 CIEB COc1ccc(/N=C/c2cccc([N+](=O)[O-])c2)cc1Cl 58409 HUMUBDZTKWWERD-CXUHLZMHSA-N 290.706 4.007 30 40 CIEB N#Cc1c(/N=C/c2ccc(C=O)cc2)sc2c1CCCC2 63061 KMKNBNZHRXTKLK-VXLYETTFSA-N 294.379 4.062 30 40 CIEB CSC/N=C(\S)Nc1ccc(Cl)c(Cl)c1 6425157 JMGVWJJYDOCQMT-UHFFFAOYSA-N 281.233 4.012 30 40 CIEB CC(C)N(/C(S)=N\Cc1ccccc1)c1ccccc1 13878989 OLSXMGRYDOUQJU-UHFFFAOYSA-N 284.428 4.387 30 40 CIEB CO[C@@](C)(/C(C)=N/O)c1ccc(-c2ccccc2)cc1 17285247 TXUGTWCPYXEPCI-NAVNFMRLSA-N 269.344 4.065 30 40 CIEB C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1ncccc1C 32100555 JYYSBPGNRNJYKQ-ZRDIBKRKSA-N 286.762 4.242 30 40 CIEB C/C=C\[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)F 97949833 SNFOQVRVBOHYAF-SWOZAWMQSA-N 260.099 4.031 30 40 CIEB N#Cc1ccccc1/N=C/c1ccc(Br)cc1 100007095 YSZNKTGOIMMLEL-LICLKQGHSA-N 285.144 4.071 30 40 CIEB CCOc1cc(/C=N/c2cccc(C)c2C)ccc1O 6960099 VKPGICLLQWIMIA-WOJGMQOQSA-N 269.344 4.158 30 40 CIEB O/N=C1\CCC=CCC[C@@H]1SC1CCCCC1 18044074 JNDFSKXZQKCPMO-YUMZSAIASA-N 253.411 4.381 30 40 CIEB C[C@@H](NCc1cccc(C#N)c1)c1ccc(Cl)s1 27221728 ZVMJKZKLYAPNTE-SNVBAGLBSA-N 276.792 4.124 30 40 CIEB C[C@H]1c2ccsc2CCN1c1cccc(Cl)c1C#N 48936783 PCPYAFNQAKQREC-JTQLQIEISA-N 288.803 4.397 30 40 CIEB CC(=O)c1ccc(N/C=C\C(=O)c2ccc(Cl)cc2)cc1 100661995 ADNXMNFPJFRXQQ-KHPPLWFESA-N 299.757 4.351 30 40 CIEB COc1ccc(C2=C(SC)C/C2=N/C(C)(C)C)cc1 102412092 VAFXEDSHHMPNAU-LGMDPLHJSA-N 275.417 4.413 30 40 CIEB CC(C)=NNc1nc2c(C)cc(Br)cc2s1 216769525 JBSZNADRCJIHKF-UHFFFAOYSA-N 298.209 4.175 30 40 CIEB CS/C(=N\c1ccccc1)N/N=C\C=C\c1ccccc1 38169510 NUUJNYQGZYXPDL-AGJFMPELSA-N 295.411 4.326 30 40 CIEB CCCOc1ccc(/C=C2/COc3ccccc3C2=O)cc1 96767442 WSTIQLTUJKTQAU-QINSGFPZSA-N 294.350 4.134 30 40 CIEB CSc1ccccc1[C@@H](C)NCc1ccc(C#N)cc1 330031604 AVWGJUBILFJHPF-CYBMUJFWSA-N 282.412 4.131 30 40 CIEB CC(C)(C)C(=O)/C=C/Nc1cccc(C(F)(F)F)c1 409107068 UMKJKYXOEDJYHO-BQYQJAHWSA-N 271.282 4.246 30 40 CIEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(Cl)cc1 856202153 DYIWSXDLYJMNEK-CQTVFXNMSA-N 287.790 4.063 30 40 CIEB N#Cc1ccccc1/N=C/c1ccc2ccccc2c1 293106 JPGFMRYRSVVQDM-DEDYPNTBSA-N 256.308 4.462 30 40 CIEB CC(C)(C)N/N=C/c1ccc(Oc2ccccc2)cc1 3274457 FWNCAFQRWGCDJP-QGOAFFKASA-N 268.360 4.201 30 40 CIEB Cc1ccc(/C=N/Nc2ccc3ccccc3n2)c(C)c1 20986135 JEBOYDHIUAHHFL-XDHOZWIPSA-N 275.355 4.298 30 40 CIEB CC(C)c1cccc(NC(=S)Nc2cccc(C#N)c2)c1 71760696 HJUUAPDJUHSEDO-UHFFFAOYSA-N 295.411 4.491 30 40 CIEB Cc1cnc(-c2cccc(NCC(C)(C)CCC#N)c2)o1 95429057 IRUCVTWHUUOBQJ-UHFFFAOYSA-N 283.375 4.392 30 40 CIEB Cn1cccc1/C=N\c1ccc(Cl)c(Cl)c1 409108578 VHHLJBHRBSBOPG-NVNXTCNLSA-N 253.132 4.083 30 40 CIEB Clc1ccc(/C=N/[C@H]2C[C@H]2c2ccccc2)cc1 494777 SEJGJJWQNRGYNI-DYFSNASRSA-N 255.748 4.315 30 40 CIEB Cc1ccc2nc(C)cc(N/N=C/c3cccs3)c2c1 5006955 XAHZIZFELXUFOO-LICLKQGHSA-N 281.384 4.359 30 40 CIEB C=CCSc1nnc(-c2cccc3ccccc23)o1 9426734 FBOZYMARDNLGEJ-UHFFFAOYSA-N 268.341 4.168 30 40 CIEB O=C1/C(=C\c2cccc3ccccc23)Cc2c(O)cccc21 11335850 ZDLOEQUBIDZTGL-PTNGSMBKSA-N 286.330 4.368 30 40 CIEB N#Cc1cccc(/C=C/c2nc3ccccc3n2C(F)F)c1 23608883 UDLYMHSMLGRWAO-CMDGGOBGSA-N 295.292 4.473 30 40 CIEB CCCN(CC#Cc1ccc(Cl)c(Cl)c1)CCC 95633489 IHXWVCVFAUUINS-UHFFFAOYSA-N 284.230 4.467 30 40 CIEB CCC[C@H]1CC[C@H](C(=O)Oc2ccc(C#N)cc2)CC1 100003724 LXVTVIQMKOLVSY-OTVXOJSOSA-N 271.360 4.070 30 40 CIEB CCCCCCCCCCCCCC(=O)NCCC(=O)O 100921975 OMENDIULIHMDHU-UHFFFAOYSA-N 299.455 4.278 30 40 CIEB CCCCCCCCCCCCCOCC(=O)OC 104199881 BWNSOKSPSITIMR-UHFFFAOYSA-N 272.429 4.487 30 40 CIEB CSc1nc(C2CC2)cc(-c2cccs2)c1C#N 67473 BICGMKDMXAGMLT-UHFFFAOYSA-N 272.398 4.281 30 40 CIEB Cn1nc(-c2ccccc2)c(C#N)c1Sc1ccccc1 1387617 JLLJSGKLOUWOBK-UHFFFAOYSA-N 291.379 4.110 30 40 CIEB C#CC1(OC(=O)Nc2cccc(Cl)c2)CCCCC1 1600633 DDVSYVDNOXJIOP-UHFFFAOYSA-N 277.751 4.225 30 40 CIEB Cc1ccccc1/C=N/NCc1c(Cl)cccc1Cl 9196697 TYFPHRBAVKJCNL-GIJQJNRQSA-N 293.197 4.426 30 40 CIEB C=C(C)Cc1ccccc1-c1c(OC)cccc1OC 43502409 FHGWCLTUWRPWRQ-UHFFFAOYSA-N 268.356 4.489 30 40 CIEB Clc1ccc(-n2cccc2/C=N/c2ccco2)cc1 59249322 UJQRBCZOSFCUCQ-GZTJUZNOSA-N 270.719 4.474 30 40 CIEB Cc1ccc(/C=N/c2cccc([N+](=O)[O-])c2C)s1 273970 GYZXAWHHURNAPN-RIYZIHGNSA-N 260.318 4.024 30 40 CIEB COc1ccc([C@@H]2C[C@@H]2/C(C)=N/OCc2ccccc2)cc1 5382293 WLQFTXQRMPDHMI-VJGJVCCMSA-N 295.382 4.391 30 40 CIEB COc1ccc(/C=C2\Sc3ccccc3C2=O)c(OC)c1 13596899 IQZIGYGAGLPOEG-SXGWCWSVSA-N 298.363 4.033 30 40 CIEB C(=N/c1ccccc1/N=C/c1ccco1)\c1ccco1 59502780 QBUWHHYUEUIEST-JYFOCSDGSA-N 264.284 4.374 30 40 CIEB Cc1ccc(Cl)cc1N/C=C1/CCC[C@H](C)C1=O 409176776 XKQMTPDGLWLPEV-AWPPVZKDSA-N 263.768 4.333 30 40 CIEB O=C1/C(=C\c2ccccc2Cl)Cc2ccccc21 84722 IDQSBDUGYFUQFD-RAXLEYEMSA-N 254.716 4.162 30 40 CIEB N#C[C@H](c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1Cl 547921 NLIPJIRMLJKKJX-LLVKDONJSA-N 290.681 4.043 30 40 CIEB N#Cc1cc2c3ccccc3ncc2c2ccccc12 1560194 IAAZYRPCPNWGMR-UHFFFAOYSA-N 254.292 4.413 30 40 CIEB O=C(C[n+]1cccc2ccccc21)c1ccc2ccccc2c1 1667310 JVVBACZHQIXOTI-UHFFFAOYSA-N 298.365 4.163 30 40 CIEB O=[N+]([O-])c1ccc(N/N=C2/CCCCc3ccccc32)cc1 5020548 KMZCMULRYWHKIE-ZPHPHTNESA-N 295.342 4.137 30 40 CIEB Cc1ccc(/N=N/C(=N/Nc2ccc(C)cc2)[N+](=O)[O-])cc1 100252604 LKZGISCSQMBLRH-KRFFEMNTSA-N 297.318 4.047 30 40 CIEB C=CCNC(=O)c1ccc(CCCCCCC)cc1 100984493 XGEWAUQKIBISKN-UHFFFAOYSA-N 259.393 4.115 30 40 CIEB O=C1c2ccccc2-c2ccc(/N=C/c3ccccc3O)cc21 101031398 BUNAMGFZBVORML-CIAFOILYSA-N 299.329 4.354 30 40 CIEB Cc1c(Cl)cccc1N/C=C1/CCC[C@@H](C)C1=O 409176164 JGBJNQMQKNLINL-WJEYQPDNSA-N 263.768 4.333 30 40 CIEB COc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 490131 CCYSHUVCHMZBHF-ZDLGFXPLSA-N 294.350 4.435 30 40 CIEB biogenic C=CCOc1ccc2c(C)c(CCC(C)C)c(=O)oc2c1 2215381 WMJPZSGKJNVMAB-UHFFFAOYSA-N 286.371 4.255 30 40 CIEB biogenic CCCCCCCCOc1ccc(/C=N/N(C)C)cc1 3173124 KSDPWHMPCYRZDF-OBGWFSINSA-N 276.424 4.321 30 40 CIEB O=C(/C=C/c1sc(Cl)nc1Cl)c1ccccc1 20281474 VQOZUGCMJDJWLK-VOTSOKGWSA-N 284.167 4.346 30 40 CIEB in-vitro Cc1cc(OCCCCC#N)cc(C)c1Br 95734244 RVYCAYJAMXCMCT-UHFFFAOYSA-N 282.181 4.139 30 40 CIEB Cc1cccc2c1OCC/C(=C\c1ccsc1)C2=O 96988716 JUNJBVOKAHWUKS-UKTHLTGXSA-N 270.353 4.105 30 40 CIEB CSc1nc(C2CC2)cc(-c2ccc(F)cc2)c1C#N 1514685 MREHKONJFUYYTM-UHFFFAOYSA-N 284.359 4.359 30 40 CIEB CSc1ccc(CCC(=O)c2ccc(C#N)cc2)cc1 2516650 KSBWQPGTSQJARM-UHFFFAOYSA-N 281.380 4.096 30 40 CIEB CCCCCOC(=O)S/C=C/C(=O)c1ccccc1 2801431 HUHVTBYZHLUJAY-ZRDIBKRKSA-N 278.373 4.443 30 40 CIEB O/N=C\c1ccccc1Oc1cccc(C(F)(F)F)c1 13397351 UGXDRGXAEGYAMT-NVMNQCDNSA-N 281.233 4.306 30 40 CIEB CCOc1ccccc1/C=C/C(=O)c1cccc(C)c1 71793417 JNQLFMKNGUIYBT-VAWYXSNFSA-N 266.340 4.290 30 40 CIEB COc1nc2ccccc2cc1/C=C/C(=O)c1ccsc1 97031829 QCVYSUVLZGAUIL-VOTSOKGWSA-N 295.363 4.201 30 40 CIEB Cc1ccc(N/C=C2\Sc3ccccc3C2=O)cc1 100142773 LRRIEDXJLCROST-GDNBJRDFSA-N 267.353 4.237 30 40 CIEB CC[C@H](C)n1c(C#N)cc(N)c1Oc1ccc(C)cc1 225880437 LFVGUXANEGPUCZ-LBPRGKRZSA-N 269.348 4.014 30 40 CIEB CC[C@@H](C)n1c(C#N)cc(N)c1Oc1cccc(Cl)c1 225881649 IYBNLOHIKXUJRA-SNVBAGLBSA-N 289.766 4.359 30 40 CIEB COc1ccc(Cl)cc1N/C=C/C(=O)c1ccccc1 409065264 FLBVLDWFJTUESY-MDZDMXLPSA-N 287.746 4.157 30 40 CIEB O=C(/C=C/c1ccccc1)c1cc(F)cc(Cl)c1 575357936 KDWZNYWZWVAUFB-VOTSOKGWSA-N 260.695 4.375 30 40 CIEB C=C(C)COc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O 6074141 YXVKOXAWCAWAJM-SXGWCWSVSA-N 296.322 4.159 30 40 CIEB biogenic C=CCOc1ccc(CNc2ccc(C)c(C)c2)cc1OC 6332713 VQBHBAXPGXMNAT-UHFFFAOYSA-N 297.398 4.489 30 40 CIEB CCOc1ccc(C(=O)/C=C/c2ccccc2OCC)cc1 32500977 DDTHJNAMHCBBCX-SDNWHVSQSA-N 296.366 4.380 30 40 CIEB Clc1cccc(/N=C\c2ccc3c(c2)OCO3)c1Cl 104136454 PEXUHRNNDLJPOF-IDUWFGFVSA-N 294.137 4.473 30 40 CIEB COc1ccc(Cl)cc1/N=C\c1cc(Cl)ccc1O 5286875 FKDAPSXUUUUFPS-IUXPMGMMSA-N 296.153 4.458 30 40 CIEB C=CCOc1ccc(-c2ccc(OCC=C)cc2)cc1 5480625 MAGNOYSFAOOVKB-UHFFFAOYSA-N 266.340 4.483 30 40 CIEB O=C1/C(=N\Nc2cccc(Cl)c2)Sc2ccccc21 6283396 RWCLBMCRLAZJOQ-SAPNQHFASA-N 288.759 4.054 30 40 CIEB N#Cc1c(S)nc2c(c1-c1ccc(Cl)cc1)CCC2 6970918 ANILBBONBJTZMC-UHFFFAOYSA-N 286.787 4.051 30 40 CIEB C[C@H](c1cccs1)N(C)Cc1cn2ccccc2c1C#N 58537473 DLEVWYPAAVQBAX-CYBMUJFWSA-N 295.411 4.065 30 40 CIEB CC(C)COc1ccccc1/C=N/Nc1ccccc1 169876541 XLXULPCFDYOBEZ-LDADJPATSA-N 268.360 4.167 30 40 CIEB Cc1cccc(/C=C2\CCC(=C3SCCS3)C2=O)c1 383955 MYHLGOONGVEDTF-JLHYYAGUSA-N 288.437 4.433 30 40 CIEB C[C@H]1CCC[C@@H](C)N1/N=C/c1ccccc1Br 12618064 FJMJUGIZRLOEBE-MTCUZCOSSA-N 295.224 4.046 30 40 CIEB O/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 13747759 KVMWXSPAHRYICD-CAOOACKPSA-N 296.153 4.381 30 40 CIEB SCCCOc1ccc(Cl)c2ccccc12 22780332 IWWVZSVHXQFGLK-UHFFFAOYSA-N 252.766 4.192 30 40 CIEB Clc1ccc(/C=N\Nc2ccccc2)cc1Cl 33368208 HUJFRRWPBYFYQI-SXGWCWSVSA-N 265.143 4.439 30 40 CIEB Cc1c(/C=N/c2ccc([N+](=O)[O-])cc2)c2ccccc2n1C 59679571 VRAZPUAUZPFIPC-WOJGMQOQSA-N 293.326 4.146 30 40 CIEB CCOc1ccc(/N=C/c2ccc(N3CCCC3)cc2)cc1 6630804 UUPDKVVYKALLQZ-HMMYKYKNSA-N 294.398 4.436 30 40 CIEB N#CCn1cc(-c2nc3ccccc3s2)c2ccccc21 7098470 VYPXVBXCYPNIQO-UHFFFAOYSA-N 289.363 4.442 30 40 CIEB N#Cc1cc(Br)c(-c2ccccc2)nc1Cl 52507751 RFODHGDYXLVIQM-UHFFFAOYSA-N 293.551 4.036 30 40 CIEB Cc1ccc(-c2nc(C#N)c(NC3CCCCC3)o2)cc1 65827 MWEKZIVFIHEXKJ-UHFFFAOYSA-N 281.359 4.266 30 40 CIEB O=C(ON=C1c2ccccc2-c2ccccc21)c1ccccc1 3147912 SABWKOXDJONZHX-UHFFFAOYSA-N 299.329 4.276 30 40 CIEB CCCCCOc1ccc(/C(=N/O)c2ccccc2)c(O)c1 5418794 IOYHRRARKWYQGK-VHEBQXMUSA-N 299.370 4.188 30 40 CIEB Cc1cc(C#N)c(C)n1-c1cccc(Cl)c1Cl 32113809 RFVKHDDKTHCHDQ-UHFFFAOYSA-N 265.143 4.273 30 40 CIEB N#CCc1c[nH]c2cc(-c3ccc(F)cc3)ccc12 47204657 WTYFGPSRJCPAKY-UHFFFAOYSA-N 250.276 4.040 30 40 CIEB C/C(Nc1ccccc1)=C1/Sc2ccccc2C1=O 100482437 KCRKKNBTDAGTOG-WJDWOHSUSA-N 267.353 4.319 30 40 CIEB C[C@H](N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(C#N)cc1 219839356 SMHNKTWBEJEXEW-XJIUQZFPSA-N 256.393 4.034 30 40 CIEB CC(=O)c1ccc(/N=C/c2ccc(N3CCCC3)cc2)cc1 408962603 ZQNQYJVTDYSINA-XSFVSMFZSA-N 292.382 4.240 30 40 CIEB Cc1ccccc1OCCn1c(C)c(C#N)c2ccccc21 555455 PZSXFBFGENNBQG-UHFFFAOYSA-N 290.366 4.209 30 40 CIEB CCCc1ccc(O)c(/N=C/c2cccc(OCC)c2O)c1 4551347 LTECUVJVNFXNKA-XDHOZWIPSA-N 299.370 4.200 30 40 CIEB Cc1ccccc1/N=N/C(=N/Nc1ccccc1C)[N+](=O)[O-] 5509290 XVYXOGGMOVXHFY-KRFFEMNTSA-N 297.318 4.047 30 40 CIEB CCCC[C@@H](CC)[C@@H](O)C#Cc1cc(F)ccc1C 95632395 MLSSEAWMEDJYRQ-PBHICJAKSA-N 262.368 4.063 30 40 CIEB CCC/C(Cl)=N/OC(=O)Nc1ccc(F)c(Cl)c1 95671320 NWDZWPMTYCIHBU-YBEGLDIGSA-N 293.125 4.380 30 40 CIEB CCCCCCCCCCCCOCCC(=O)O 96907383 RPXVKMDHGQPNPI-UHFFFAOYSA-N 258.402 4.399 30 40 CIEB CCN1/C(=C\C(=O)c2ccccc2)Sc2ccccc21 100923071 HDXLIZUCUNCQPF-SFQUDFHCSA-N 281.380 4.343 30 40 CIEB O/N=C1/[C@H]2CC[C@@H](C2)[C@@H]1Sc1ccc(Cl)cc1 100965192 JFMGSPOADGNJTJ-YORITBEKSA-N 267.781 4.061 30 40 CIEB C=CCSc1ccccc1C(=O)N1CCc2ccccc21 219810150 HNLLEXWQMCMSLN-UHFFFAOYSA-N 295.407 4.168 30 40 CIEB Oc1ccccc1/N=C/C=C/c1ccc(Cl)cc1 2894419 ZSESDGQLZRLMGT-CRXRTXPVSA-N 257.720 4.461 30 40 CIEB O=C(/C(=C/N1CCCC1)c1ccccc1)c1ccccc1 4701515 RKKIUZUPPFRCAD-OBGWFSINSA-N 277.367 4.006 30 40 CIEB O=C(/C=C/c1cccc(O)c1)c1cc2ccccc2o1 7744943 XIJXYQGHEQAXGX-CMDGGOBGSA-N 264.280 4.035 30 40 CIEB CCCCCCCCCCCCCOCC(=O)O 96907382 DILXFGQNJVNSAH-UHFFFAOYSA-N 258.402 4.399 30 40 CIEB CCCCCCCc1nc(C#N)c(NCc2cccnc2)o1 101411463 SEXGJCAJNFDFDH-UHFFFAOYSA-N 298.390 4.066 30 40 CIEB Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1C 408781959 DWBOKZABRDJWBC-CXUHLZMHSA-N 291.192 4.155 30 40 CIEB COc1ccc(Cl)cc1N/C=C1/CCC[C@@H](C)C1=O 409179273 LIRGQDOOIYTCRH-QLWWJYNRSA-N 279.767 4.034 30 40 CIEB CCOC(=O)c1ccc(/N=C/c2ccc(SC)cc2)cc1 274098 ZOLKCEPGZQFDCW-LDADJPATSA-N 299.395 4.336 30 40 CIEB N#Cc1ccc(C(=O)CCc2ccc(Cl)cc2)cc1 2517272 ZBMOXMDLHXZSRK-UHFFFAOYSA-N 269.731 4.027 30 40 CIEB Cc1cccc(/C=N/c2sc3c(c2C#N)CCCC3)c1O 4739512 LANFFDKUZRNWPH-VXLYETTFSA-N 296.395 4.263 30 40 CIEB CN(C)c1ccnc(Oc2ccc(C(C)(C)C)cc2)c1C#N 20218586 ZECTTYWBFIVMLX-UHFFFAOYSA-N 295.386 4.109 30 40 CIEB CCCc1ccc(C#Cc2ccc(F)c(F)c2)cc1 98177490 ASODTPYHUHDTFO-UHFFFAOYSA-N 256.295 4.317 30 40 CIEB CCOc1ccccc1N/C=C/C(=O)c1ccc(F)cc1 101463595 OPMORWKPXBPGFD-VAWYXSNFSA-N 285.318 4.033 30 40 CIEB Cc1ccc(/C=N/c2sc3c(c2C#N)CCC3)cc1 1436525 OBDVAFKJTXUBIV-VCHYOVAHSA-N 266.369 4.168 30 40 CIEB C=CCN(CC=C)Cc1cccc(OCc2ccccc2)c1 4602913 OHUVZJSPDNNDKZ-UHFFFAOYSA-N 293.410 4.440 30 40 CIEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccccc1F)C2 4829056 DRANHXWAADSRNU-SJKOYZFVSA-N 273.351 4.147 30 40 CIEB CCc1ccc(C(=O)/C=C/c2ccc(OC)cc2)cc1 5197353 JCTDPYIGMAHMMX-MDWZMJQESA-N 266.340 4.154 30 40 CIEB CCc1ccc(/N=C/c2ccc(Br)o2)cc1 8085032 NXMXNUBKHTWTNL-OQLLNIDSSA-N 278.149 4.355 30 40 CIEB C=CCCC(=O)Nc1ccc(-c2ccccc2)cc1 72080074 QMKSHFVRJTYKFR-UHFFFAOYSA-N 251.329 4.258 30 40 CIEB N#Cc1ccccc1-c1cc(Br)ccc1F 90568084 ACAUOIRLAOQTOD-UHFFFAOYSA-N 276.108 4.127 30 40 CIEB Clc1ccc(/N=C/C=C\Nc2ccc(Cl)cn2)nc1 104313306 QQOYEDBNQKVVDM-GKQGWHNOSA-N 293.157 4.112 30 40 CIEB CCc1ccc(C(=O)/C=C/c2ccc(C)cc2)cc1 32105415 WKXDGDHSHHURPD-JLHYYAGUSA-N 250.341 4.454 30 40 CIEB Oc1ccc(Cl)cc1/C=N/Cc1cccc(Cl)c1 44835590 OSPFSTGYOBWPJI-RQZCQDPDSA-N 280.154 4.318 30 40 CIEB CCOc1ccc(/C=N/c2ccc(OCC)cc2)cc1 136682 MRHFLSHPSUWSTA-QGOAFFKASA-N 269.344 4.235 30 40 CIEB C[C@@]1(c2ccccc2)O[C@@]1(C)C(=O)Sc1ccccc1 1557926 VFAGRHYULQWZDB-IRXDYDNUSA-N 284.380 4.010 30 40 CIEB Clc1cccc(Cl)c1CN/N=C/c1ccccc1 9195709 ZDNWCESPGSEJLD-RQZCQDPDSA-N 279.170 4.117 30 40 CIEB N#Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12 41460018 SHVIPTZZLSJHSM-UHFFFAOYSA-N 284.721 4.354 30 40 CIEB Cc1ccc(/N=C2\C=C(O)C(=O)c3ccccc32)cc1C 101643010 HYMXDOHXDKJNJW-KNTRCKAVSA-N 277.323 4.062 30 40 CIEB CCOC(=O)c1cccc(/N=C\c2ccc(Cl)s2)c1 408965580 JAKDYUCYLLWMQC-SXGWCWSVSA-N 293.775 4.329 30 40 CIEB O=C(O/N=C/c1ccco1)c1ccc(-c2ccccc2)cc1 64905 MTGFNHWIUXCSCD-CPNJWEJPSA-N 291.306 4.138 30 40 CIEB C[C@@H](C#N)Sc1nc2ccccc2n1-c1ccccc1 4829492 LSQRCXHWQLETAX-LBPRGKRZSA-N 279.368 4.030 30 40 CIEB N#Cc1ccccc1OCc1ccc(Cl)cc1Cl 6222292 SVAMVZSFABMIGL-UHFFFAOYSA-N 278.138 4.444 30 40 CIEB Cc1ccc(C(=O)/C=C/c2cccc(F)c2)c(C)c1 6432942 IFULKEBQZWLSPO-VQHVLOKHSA-N 254.304 4.339 30 40 CIEB CCCCCC#CC#CCCCCCCCCC(=O)NO 12523905 UMNOKELAXVQXDF-UHFFFAOYSA-N 291.435 4.200 30 40 CIEB C=CCOC(=O)c1cccc(-c2nc3ccccc3s2)c1 73634008 LCMXOCGUYAOJAU-UHFFFAOYSA-N 295.363 4.306 30 40 CIEB CCCCCCCCNCc1cccc(OC)c1OC 100048702 SRIVLDUUHXWLAG-UHFFFAOYSA-N 279.424 4.154 30 40 CIEB CCCCCCCNCc1cc(Cl)ccc1OC 102560570 LPORLFNEIPJFFF-UHFFFAOYSA-N 269.816 4.409 30 40 CIEB Cc1cccc(/N=C2/SCC(=O)N2c2cccc(C)c2)c1 102633889 DJFUIYLGWKSTLM-ISLYRVAYSA-N 296.395 4.071 30 40 CIEB Cc1cc(C)c(/N=C/c2nc3ccccc3n2C)c(C)c1 497932 BGPCWHBHIOGMPP-YBFXNURJSA-N 277.371 4.249 30 40 CIEB CC1(C)C[C@]2(O[C@H]2c2ccccc2)C(=O)c2ccccc21 1761158 DBSWOIVXLYIEDN-HKUYNNGSSA-N 278.351 4.061 30 40 CIEB CCCC(=O)Nc1cccc(/N=C/c2cc(C)ccc2O)c1 6755942 WBHWFCSCNLVYFR-XDHOZWIPSA-N 296.370 4.190 30 40 CIEB Cc1nc2c(c3[nH]c4ccccc4c13)/C(=N\O)CC(C)(C)C2 100768594 DRJAEWDHIHXPEJ-STZFKDTASA-N 293.370 4.175 30 40 CIEB biogenic O/N=C1/[C@H]2CC[C@@H](C2)[C@H]1Sc1ccc(Cl)cc1 100965190 JFMGSPOADGNJTJ-SVBXSFSUSA-N 267.781 4.061 30 40 CIEB COc1cccc(/C=N/c2ccccc2)c1OC(C)C 409020222 MUDQRLXRSUCAHJ-LDADJPATSA-N 269.344 4.233 30 40 CIEB C=CCOc1cccc(CNc2cccc(C)c2)c1 409113058 NILADHMRBNJCTJ-UHFFFAOYSA-N 253.345 4.172 30 40 CIEB Cc1csc(N/N=C/c2ccc(C(C)C)cc2)n1 3959006 DRQAXVBCVVSUAS-OVCLIPMQSA-N 259.378 4.021 30 40 CIEB Cc1ccc(/N=C/c2ccc(Br)o2)c(C)c1 8368779 FQHWZZDIZKIXBQ-OVCLIPMQSA-N 278.149 4.410 30 40 CIEB Cc1ccccc1/C=C1\Sc2ccccc2C1=O 12366744 DIXZHKWHXDWLHK-GDNBJRDFSA-N 252.338 4.325 30 40 CIEB N#Cc1cccc(COc2ccc3ccccc3c2C=O)c1 15423258 XENKDZUTEDIXDF-UHFFFAOYSA-N 287.318 4.103 30 40 CIEB Cc1ccc(N/C=C/C(=O)c2cc(C)ccc2C)cc1 44844313 YHQUMTAKJNFAPK-ZHACJKMWSA-N 265.356 4.420 30 40 CIEB C=C(C)CSc1ncnc2c1oc1nc(C)c(C)cc12 71283440 UEACZIXMIIAZRQ-UHFFFAOYSA-N 285.372 4.056 30 40 CIEB CCCCCCCNCc1ccccc1OCCOCC 100027382 WHOSAIQOVJAWFI-UHFFFAOYSA-N 293.451 4.162 30 40 CIEB CC/C(Cl)=N\OC(=O)Nc1ccccc1C(F)(F)F 100157223 VHEXHIUOZZCSJM-RQZCQDPDSA-N 294.660 4.216 30 40 CIEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cc(C)cc(C)c1 664444223 UKNAKKKAVIBSOT-IYBDPMFKSA-N 270.376 4.018 30 40 CIEB CC(C)(C)c1cc(C(F)(F)F)c2c(N)c(C#N)sc2n1 4228005 UOJHWHSUPWMDFH-UHFFFAOYSA-N 299.321 4.066 30 40 CIEB CSc1ccc(N/N=C/c2nc3ccccc3s2)cc1 4568530 WNUZHYIIADLYMM-MHWRWJLKSA-N 299.424 4.464 30 40 CIEB O/N=C1\CCCCCC[C@H]1Sc1nc2ccccc2[nH]1 5532505 MNGFJZQJDRCHMO-QFGUUYLXSA-N 289.404 4.208 30 40 CIEB Cc1ccc(N2CCS/C2=N\c2ccccc2)cc1 13774773 ANSYVNSZYHVXMR-MSUUIHNZSA-N 268.385 4.236 30 40 CIEB Cc1cc(C)c2c(n1)S/C(=C/c1ccccc1)C2=O 19796853 UJFKAHJYSOWSGL-UKTHLTGXSA-N 267.353 4.028 30 40 CIEB N#Cc1ccc(CNc2ccccc2N2CCCCC2)cc1 58002889 OXXGHXATWDPFPH-UHFFFAOYSA-N 291.398 4.161 30 40 CIEB CCCCCC[C@@](C)(O)C#Cc1ccc(CC)cc1 95632183 DFSUAGQIFAZMBM-GOSISDBHSA-N 258.405 4.322 30 40 CIEB CCCC[C@H](CC)[C@@H](O)C#Cc1ccc(C)c(F)c1 95633696 UHVUIXUBUQKCQT-RDJZCZTQSA-N 262.368 4.063 30 40 CIEB Cc1cc(/C=N/c2cccc(Cl)c2)cc(C)c1O 107800253 IHIBSVYBYAMILA-RQZCQDPDSA-N 259.736 4.413 30 40 CIEB Cc1cc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)ccc1F 409105945 KEERUQKTQVVVTA-CAOOACKPSA-N 292.697 4.446 30 40 CIEB O=C1/C(=C/c2cccc(F)c2)CSc2sccc21 1403624 MDESVXURCXTBGM-UXBLZVDNSA-N 276.357 4.259 30 40 CIEB CCCC[C@@](C)(CN(C)C)C(=O)/C=C/c1ccccc1 1567495 SZJDJHCRIWFKTF-HHNLSAEISA-N 273.420 4.027 30 40 CIEB FC(F)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2637172 MHKACPMSUQVVBH-UHFFFAOYSA-N 280.114 4.326 30 40 CIEB CCc1c(C)sc(NC(=O)CCc2ccccc2)c1C#N 4109733 SHCKHNHHPOTSKA-UHFFFAOYSA-N 298.411 4.062 30 40 CIEB C/C(C=C1C(=O)c2ccccc2C1=O)=C\c1ccccc1 7155110 NBLBILAABMVJNJ-ACCUITESSA-N 274.319 4.096 30 40 CIEB CCCCC[C@H](CN(C)C)C(=O)/C=C\c1ccc(F)cc1 17126422 ASGQVNSGBFJSMI-IVOILVROSA-N 291.410 4.166 30 40 CIEB CCCCCCCCCCCCC[C@H](O)C(=O)O 62241059 NKASEPJANRVKDD-AWEZNQCLSA-N 258.402 4.133 30 40 CIEB in-vitro CCCCCCCCCCCC[S@@](=O)C[C@H](C)O 104189587 MKMIQRZGJOVVSO-YJBOKZPZSA-N 276.486 4.037 30 40 CIEB CCOc1ccc(N/C=C/C(=O)c2ccc(F)cc2)cc1 104224691 CESXHKZTNUDMPE-VAWYXSNFSA-N 285.318 4.033 30 40 CIEB C/C(=C\C(=O)c1ccc(C)o1)Nc1cccc(C)c1 409348068 OQQRVHYHTFLGIY-ZRDIBKRKSA-N 255.317 4.095 30 40 CIEB O=C(/C=C\Nc1ccc(F)cc1F)c1ccc(Cl)cc1 5569371 MXSHXUIDPUOATO-FPLPWBNLSA-N 293.700 4.427 30 40 CIEB Cc1ccccc1C(=O)/C=C/c1ccc(F)c(F)c1 8322515 AMRXJMKJOHHRAZ-VQHVLOKHSA-N 258.267 4.169 30 40 CIEB Cc1ccc(/N=N/C(C#N)=N/Nc2ccc(C)cc2)cc1 98211999 OBGVMZLBOOGORA-WMPBZCDFSA-N 277.331 4.336 30 40 CIEB CSc1ccccc1/N=C/c1cc(C)c(O)c(C)c1 107926284 NDYGKAHBMBKKSV-LICLKQGHSA-N 271.385 4.482 30 40 CIEB CCn1c(C)cc(/C=N/c2ccc(F)c(C)c2)c1C 409106783 PBYANEOVJQMMRV-VCHYOVAHSA-N 258.340 4.323 30 40 CIEB C=C(Br)CCc1ccc(Cl)cc1C 952958826 QCBFSYBDZVPXNS-UHFFFAOYSA-N 259.574 4.490 30 40 CIEB Oc1ccc2ccccc2c1C=NCc1ccccc1 2049243825 CTMYZNZIVQEMHN-UHFFFAOYSA-N 261.324 4.165 30 40 CIEB COc1ccccc1/C=C/C(=O)c1ccc(C)cc1C 8322584 IHDVIRUHXJHBCJ-PKNBQFBNSA-N 266.340 4.208 30 40 CIEB N#Cc1ccc(Nc2cccc(Nc3ccccc3)c2)nc1 12823460 RQAQNASTMXJFJJ-UHFFFAOYSA-N 286.338 4.440 30 40 CIEB N#CCc1cccc(C(=O)N(C2CCCC2)C2CCCC2)c1 71186241 BZRHNSAOXAXNTM-UHFFFAOYSA-N 296.414 4.080 30 40 CIEB N#C[C@H](Sc1ccccn1)c1ccc(Cl)cc1 1401872 KZPLSHJNCOXKFV-LBPRGKRZSA-N 260.749 4.092 30 40 CIEB Cc1ccc(/C=C/C(=O)Nc2sc(C)c(C)c2C#N)cc1 2739786 HJYHWFPUGBHSKV-CMDGGOBGSA-N 296.395 4.197 30 40 CIEB Fc1ccccc1/C=N/Nc1ccc(Br)cc1 4017776 AOBNMXJHAAPODP-CXUHLZMHSA-N 293.139 4.034 30 40 CIEB C#CCOc1ccc(/C=N/c2ccc(CC)cc2)cc1OC 8084760 LFOQECVOPFBEHI-XSFVSMFZSA-N 293.366 4.020 30 40 CIEB Cc1ccc(C(=O)/C=C/Nc2ccccc2C)cc1C 44843819 VAUYQLYQSMRZAD-ZHACJKMWSA-N 265.356 4.420 30 40 CIEB CCCCCCCCCOc1ccc(CO)cc1 59089530 JVSMSPDNFPZTKU-UHFFFAOYSA-N 250.382 4.308 30 40 CIEB CC1=COC=C(/C=N/Cc2ccccc2)N1c1ccccc1 100146978 XEPXTAVYNUKLLG-DEDYPNTBSA-N 290.366 4.497 30 40 CIEB N#Cc1ccc2c(ccn2C(=O)c2cccc3ccccc23)c1 216961413 YYDUKEBGUCRBRI-UHFFFAOYSA-N 296.329 4.355 30 40 CIEB Cc1ccc(COc2ccc(/C=N/O)cc2Cl)cc1 253570404 NNTSRKHICUCXNH-RQZCQDPDSA-N 275.735 4.036 30 40 CIEB CC(/C=N/c1ccc(Cl)cc1Cl)=C\N(C)C 255188630 KOJHEKYAJVCIBA-ZGKCIRJHSA-N 257.164 4.161 30 40 CIEB C=CCOc1ccc(C(=S)NCc2ccccc2C)cc1 408573180 ITFVLNNDEFBTFO-UHFFFAOYSA-N 297.423 4.025 30 40 CIEB O=[N+]([O-])c1ccc(Cl)c(/C=N/c2cccc(F)c2)c1 409099114 QKBUABCBJVELDY-LZYBPNLTSA-N 278.670 4.138 30 40 CIEB N#Cc1c(N)c(-c2ccccc2)c(F)c2ccccc12 4722710 RLGHUSXDCHHMHX-UHFFFAOYSA-N 262.287 4.100 30 40 CIEB COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)c(OC)c1 7743361 DQJUOZNQDRBVIC-CSKARUKUSA-N 296.366 4.217 30 40 CIEB C(=N/c1ccc2c(c1)Cc1ccccc1-2)\c1ccccn1 95551079 MWQRCJCBHFELLF-FYJGNVAPSA-N 270.335 4.403 30 40 CIEB in-vitro O/N=C1/CC/C=C/CC/C=C/CC[C@@H]1N1CCCCC1 100976930 ULZMQPHIXGOUSI-UMDISKJOSA-N 276.424 4.138 30 40 CIEB CCOc1ccccc1/N=C\c1ccc(N2CCCC2)cc1 408961334 RQPNQQGDBUDSEG-HKWRFOASSA-N 294.398 4.436 30 40 CIEB C#CCOc1ccc(CNc2cccc(C)c2)cc1Cl 409114386 HIFJNJLNKUKWSO-UHFFFAOYSA-N 285.774 4.273 30 40 CIEB CCCCCCCCNC(=O)[C@H]1C[C@@H]1c1ccccc1 2165998 JXEGSAMPGXCVQA-SJORKVTESA-N 273.420 4.267 30 40 CIEB Oc1cccc(/N=C/c2ccc3ccccc3c2O)c1 32101593 WKCCENKAJXNJLP-WOJGMQOQSA-N 263.296 4.002 30 40 CIEB N#Cc1cc(N)ccc1Nc1cccc(Cl)c1Cl 41020640 YKGVNGWLJWBTJZ-UHFFFAOYSA-N 278.142 4.191 30 40 CIEB C=CCOc1cccc(/C=C/C(=O)c2cccc(OC)c2)c1 59444474 LVMZSHAJAXXLPF-ZHACJKMWSA-N 294.350 4.156 30 40 CIEB N#Cc1ccc(COC(=O)c2cccc3ccccc23)cc1 3556060 DLYSMLZFDYVNFI-UHFFFAOYSA-N 287.318 4.068 30 40 CIEB O=[N+]([O-])c1ccccc1/N=C/c1c(O)ccc2ccccc12 4728871 CTIKGPWENOIXPX-WOJGMQOQSA-N 292.294 4.204 30 40 CIEB Nc1cccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1 5331315 WZSXONGRHIREGE-FNORWQNLSA-N 292.165 4.472 30 40 CIEB CCCCCC[C@](C)(O)C#Cc1ccc(C)c(C)c1 95633621 RRQOBWPCQIUHMG-SFHVURJKSA-N 258.405 4.376 30 40 CIEB COc1cccc(/C=N\c2cc(C(C)C)c(O)cc2C)c1O 102869856 SLSSRAYWFSHHDU-GRSHGNNSSA-N 299.370 4.289 30 40 CIEB N#Cc1ccsc1/N=C/Nc1ccc(Cl)cc1 5674225 HONHRYUDWAHOCN-UHFFFAOYSA-N 261.737 4.045 30 40 CIEB COCc1cc(C)nc(SCc2cccc(C)c2)c1C#N 6967302 CFLHREPCUWGGCB-UHFFFAOYSA-N 298.411 4.009 30 40 CIEB C=C(C)CNC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 16307007 VNJCDRCHHLXDIS-UHFFFAOYSA-N 294.423 4.120 30 40 CIEB CC1=C(c2ccccc2)[C@H](c2ccccc2)[C@H](C)C1=O 100396685 FPMNYEMWMGKIKG-GUYCJALGSA-N 262.352 4.463 30 40 CIEB C=CCOc1ccc(C(=O)NC[C@@H](CC)CCCC)cc1 224638199 FELNVZAJNUEUTL-HNNXBMFYSA-N 289.419 4.198 30 40 CIEB C=CCOc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1 225943677 FMXORATUNGYBSJ-UHFFFAOYSA-N 295.382 4.168 30 40 CIEB CCCCN1c2ccc(C#N)cc2[C@H](C)CC1(C)C 260719721 LVHUCNLISROHQC-CYBMUJFWSA-N 256.393 4.451 30 40 CIEB CC=C1C[C@@H]2CC[C@H](C1)N2c1cc(C#N)c2ccccc2n1 1775995954 OMHJEHBVLGEVFK-IYBDPMFKSA-N 289.382 4.184 30 40 CIEB C=CCCC(=O)NCCc1ccc(-c2cccs2)s1 1889139104 NNVFZMGFXNBXHG-UHFFFAOYSA-N 291.441 4.102 30 40 CIEB Cc1ccc(N(CC#N)C(=O)Nc2ccc(Cl)cc2)cc1 3269748 CTRDNUBERNYTKD-UHFFFAOYSA-N 299.761 4.211 30 40 CIEB O=C(O)c1ccc(/N=C\c2c(Cl)cccc2Cl)cc1 4582733 BCCLSFSWWHQEFO-IUXPMGMMSA-N 294.137 4.442 30 40 CIEB CC(=O)c1cccc(/N=C/c2ccc(N3CCCC3)cc2)c1 18030778 LTAMWQQADQMTSV-XSFVSMFZSA-N 292.382 4.240 30 40 CIEB O=C(/C=C/c1csc(Br)c1)c1cccs1 31823877 NVXWSRXCDCDTRJ-ONEGZZNKSA-N 299.214 4.468 30 40 CIEB [N-]=[N+]=Nc1cc(Br)ccc1Br 42581837 NGKDATKJPGENGA-UHFFFAOYSA-N 276.919 4.153 30 40 CIEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OC)c1O 76274806 CTXYFVGPKDFNKT-UHFFFAOYSA-N 297.398 4.358 30 40 CIEB CC(C)(C)c1ccc([C@@H](OC[C@H]2CO2)C(F)(F)F)cc1 95096052 VIGKPLYJWOOPRX-CHWSQXEVSA-N 288.309 4.003 30 40 CIEB CC[C@@H](C)C[C@@](C)(O)C#Cc1ccc(F)c(Cl)c1 95632849 JWBVAFSKNTUZMI-ABAIWWIYSA-N 268.759 4.018 30 40 CIEB O=[N+]([O-])c1cccc(/C=N\c2cccc(C(F)(F)F)c2)c1 104141723 YSELFXWVAGDJIW-NVMNQCDNSA-N 294.232 4.364 30 40 CIEB Fc1ccccc1/N=C\c1cccn1-c1ccccc1 408855787 FEQWDKLYMCVNLQ-UYRXBGFRSA-N 264.303 4.367 30 40 CIEB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)CCCc2ccccc21 104194 CVMBKCXVNKLREA-QINSGFPZSA-N 293.322 4.197 30 40 CIEB N#C[C@@H]1C=Cc2ccccc2[C@H]1C(=O)/C=C/c1ccccc1 4350039 DTXPWFHCBJNIKB-MMMGWCQYSA-N 285.346 4.219 30 40 CIEB O=C1/C(=C/c2cc([N+](=O)[O-])ccc2Cl)Cc2ccccc21 16407276 UZGVOOAREUXLQM-XYOKQWHBSA-N 299.713 4.071 30 40 CIEB CCCCCC[C@](C)(O)C#Cc1cc(F)c(F)c(F)c1 95632757 QSPAAOXTSOALNG-INIZCTEOSA-N 284.321 4.177 30 40 CIEB CCOc1ccc(N/C=C2/C(=O)[C@]3(C)CC[C@@H]2C3(C)C)cc1 100362970 GYVCCTGMMFPHGW-MLHMOSTNSA-N 299.414 4.406 30 40 CIEB O/N=C(\CSc1ccc(Cl)cc1)c1ccccc1 100467704 UCXOPFQTWGQGFY-JQIJEIRASA-N 277.776 4.311 30 40 CIEB Cc1ccccc1[C@@H](C#N)[C@@H](CC#N)c1ccccc1 133252 GFTNSHSIKCZDTP-ZWKOTPCHSA-N 260.340 4.300 30 40 CIEB C[C@H](C[C@H](C#N)N(C)c1ccccc1)CC(C)(C)C 4365749 UECPHRXRENSFNH-GDBMZVCRSA-N 258.409 4.477 30 40 CIEB C/C(=N\Nc1nc2ccccc2[nH]1)c1ccc(Cl)s1 5070773 JUUHKPUJWNEZHI-CAOOACKPSA-N 290.779 4.114 30 40 CIEB Cc1sc(NC(=O)c2cccc(Cl)c2)c(C#N)c1C 5144860 CESWZVDQRZWRQQ-UHFFFAOYSA-N 290.775 4.142 30 40 CIEB N#Cc1c(-c2ccco2)c2c([nH]c1=S)CCCCC2 5770420 AYNVOJACHYKVQW-UHFFFAOYSA-N 270.357 4.145 30 40 CIEB N/C(=N/c1ccccc1Cl)c1ccccc1Cl 6226757 BJDIRMXHDZKEAE-UHFFFAOYSA-N 265.143 4.030 30 40 CIEB O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 6340560 RPQDJPZZTNUGOB-BQYQJAHWSA-N 287.702 4.144 30 40 CIEB CCc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1 6649442 SEQQLCPQQYQRBL-JXMROGBWSA-N 272.294 4.423 30 40 CIEB C[C@@H]1CCCc2c(-c3ccccc3)c(C#N)c(N)c(C#N)c21 16609135 MWAJRHQVORZRPN-GFCCVEGCSA-N 287.366 4.119 30 40 CIEB Cc1ccccc1N/N=C1/C(O)=Nc2ccc(Cl)cc21 58624716 HBEPFFRTTJNUFT-UHFFFAOYSA-N 285.734 4.066 30 40 CIEB CCCC[C@@H](CC)[C@H](O)C#Cc1ccc(C)c(C)c1 95633600 WWRWSEWYNIUGND-QZTJIDSGSA-N 258.405 4.232 30 40 CIEB COc1ccc2nc(C)cc(N/N=C/c3cccs3)c2c1 5007004 DQGUJKABKHECNV-LICLKQGHSA-N 297.383 4.059 30 40 CIEB COc1cccc(/C=N\c2ccc(C)c(Cl)c2)c1 409210670 LXWMUQHTLYUQKG-YVLHZVERSA-N 259.736 4.408 30 40 CIEB N#Cc1ccc(Oc2cc(Cl)ccc2Cl)nc1 12527544 CPXGOUVMOHCZBM-UHFFFAOYSA-N 265.099 4.052 30 40 CIEB Cc1ccc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc1 38202994 QDMTUOAZPPBXHT-GRSHGNNSSA-N 278.277 4.460 30 40 CIEB Cc1cccc(C)c1C(OC[C@@H]1CO1)c1c(C)cccc1C 75629410 LIJMMZBEUVMNQZ-KRWDZBQOSA-N 296.410 4.425 30 40 CIEB Cc1ccc([C@H]2CCC[C@@H]2N(C)c2ccc(C#N)cn2)cc1 76063783 CUCNAQJDJVIHTE-MSOLQXFVSA-N 291.398 4.034 30 40 CIEB CCCC[C@@H](CC)[C@@H](O)C#Cc1cccc(C)c1C 95632024 JRTJIQBZGLYEMI-AEFFLSMTSA-N 258.405 4.232 30 40 CIEB C#CC(CC)(CC)/N=C\c1cc(Cl)cc(Cl)c1O 100157121 VAUPOTMNMWZYCM-MFOYZWKCSA-N 284.186 4.310 30 40 CIEB C(=N/Cc1cccnc1)\c1ccc(-c2cccs2)s1 100847842 FSDHMTBORVWMAZ-GZTJUZNOSA-N 284.409 4.491 30 40 CIEB Cc1cc(/C=N/c2ccc(F)cc2F)cc(C)c1O 105806617 UPMQMOVAGXCOCG-QGMBQPNBSA-N 261.271 4.038 30 40 CIEB C=C(Cl)CCc1cc(Br)ccc1F 710678037 HNRMWTFUAKWJOI-UHFFFAOYSA-N 263.537 4.273 30 40 CIEB CCCOc1ccc(/C=N/c2ccc(OC)cc2)cc1OC 6942121 YIZKEYMEOZXVGU-CPNJWEJPSA-N 299.370 4.243 30 40 CIEB N#CCCSc1nc(-c2ccc(Cl)cc2)ccc1C#N 82086923 FZLIWXNDPHIHCF-UHFFFAOYSA-N 299.786 4.279 30 40 CIEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1cc(C)ccc1OC)C2 4810673 JOFNLEMTDIZWSX-AUUYWEPGSA-N 299.414 4.325 30 40 CIEB Cc1ccccc1/N=C/c1ccc(Br)o1 5420485 RCTXCOIQIFQWRJ-RIYZIHGNSA-N 264.122 4.101 30 40 CIEB N#Cc1ccc(C(=O)/C=C/c2ccccc2OC(F)F)cc1 6560296 SLQFBIQBHLKWNS-MDZDMXLPSA-N 299.276 4.056 30 40 CIEB N#Cc1ccc(OC(=O)c2cc3cc(Cl)ccc3o2)cc1 8007801 MOLRQZWBQPPTIV-UHFFFAOYSA-N 297.697 4.177 30 40 CIEB O=C(/C=C/c1cccc(C(F)(F)F)c1)c1cncs1 97212547 MBHRUWHVEHVDHU-SNAWJCMRSA-N 283.274 4.058 30 40 CIEB CN(C1=CC(=O)C(C)(C)c2ccccc21)C1CCCCC1 1754465 ICJFDMFMBXUQFL-UHFFFAOYSA-N 283.415 4.152 30 40 CIEB Oc1ccc2ccccc2c1/C=N/Nc1ccc(F)cc1 4933114 HWSAVFGAXLKIHZ-YBFXNURJSA-N 280.302 4.131 30 40 CIEB Cc1ccc(C)c(/N=C/c2cc3ccc(C)cc3[nH]c2=O)c1 5026599 FMJAJZLIQZWEOT-RGVLZGJSSA-N 290.366 4.204 30 40 CIEB C=CCc1c(C)nc2ccc(Cl)cc2c1C(=O)OCC 13893501 IRLDTVVIXBRLTH-UHFFFAOYSA-N 289.762 4.102 30 40 CIEB CC(C)c1ccc(/C=N/Nc2ccccc2[N+](=O)[O-])cc1 4550734 RZOIYPSQRAHXHR-GZTJUZNOSA-N 283.331 4.164 30 40 CIEB CC(=O)/C(=C/c1cccc(Cl)c1)C(=O)c1ccccc1 5601733 FDWALFOBCKXYPC-WJDWOHSUSA-N 284.742 4.195 30 40 CIEB N#Cc1ccc(CN2CCC[C@H]2c2ccc(F)cc2)cc1 12911374 LJALMXFPSCQOGQ-SFHVURJKSA-N 280.346 4.034 30 40 CIEB CCOc1ccccc1/N=C/c1cc(Cl)ccc1O 44835776 JEUOVHJCOVREHM-LICLKQGHSA-N 275.735 4.195 30 40 CIEB O/N=C(\c1ccccc1)C12CC3CC(CC(C3)C1)C2 100809759 KHEYNINQZNZGGE-FBMGVBCBSA-N 255.361 4.081 30 40 CIEB CCCCCn1c(C#N)cc(N)c1Oc1ccccc1C 225879248 KYBSFNGCBDLVCV-UHFFFAOYSA-N 283.375 4.233 30 40 CIEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(O)cc2)C1 408564172 VISKUYWTCUNBTL-XTZCOPOCSA-N 287.403 4.493 30 40 CIEB C/C(=N\Nc1ccccc1)c1c(C)[nH]c2ccccc12 25668214 YUPVCOMATZRHTD-CPNJWEJPSA-N 263.344 4.312 30 40 CIEB Clc1ccc(/N=C\C=C\Nc2ccc(Cl)cn2)nc1 104313303 QQOYEDBNQKVVDM-RZMDGCJMSA-N 293.157 4.112 30 40 CIEB CCN(CC)c1ccc(/N=C\c2ccc(N(C)C)cc2)cc1 104358130 PVGCAZUDSGRRLD-HKWRFOASSA-N 295.430 4.349 30 40 CIEB O=C1CCC/C1=C/Nc1ccc(Cl)c(Cl)c1 409177592 CLHGHNKOJUGFFR-FPLPWBNLSA-N 256.132 4.042 30 40 CIEB Cc1sc(NC(=O)c2ccccc2Cl)c(C#N)c1C 788223 ZTNXUYDVTUGPAC-UHFFFAOYSA-N 290.775 4.142 30 40 CIEB O=C(O/N=C1\CCCc2ccccc21)c1cccc(Cl)c1 1396236 LAMHKUBSEMGAIF-KNTRCKAVSA-N 299.757 4.237 30 40 CIEB Cc1ccc(/C=C/C(=O)C(C)(C)CN2CCCCC2)cc1 1629026 DMJPCCYONRHOHM-VAWYXSNFSA-N 285.431 4.089 30 40 CIEB C=CCOc1ccc(CNCc2ccccc2Cl)cc1 6312991 MGLYRORJPSFFRE-UHFFFAOYSA-N 287.790 4.195 30 40 CIEB C#CCOc1ccccc1CNc1ccc(C)c(Cl)c1 21045918 MSUABCVVAIQDLR-UHFFFAOYSA-N 285.774 4.273 30 40 CIEB C/C(=N\O)c1ccc(-c2cccc(Br)c2)s1 32628280 CDOPOEQLJGROKQ-RIYZIHGNSA-N 296.189 4.376 30 40 CIEB Cc1ccc(Cl)cc1N/C=C1\CCCCCC1=O 33651474 NCPHZCSLHHOWDO-ZRDIBKRKSA-N 263.768 4.477 30 40 CIEB CC1(C)CC(O)=C(/N=N/c2ccc(F)cc2)/C(=N\O)C1 96247839 GOVBINZOMCCBIE-IECOPINFSA-N 277.299 4.329 30 40 CIEB O/N=C1/[C@H]2CC[C@H](C2)[C@@H]1Nc1cc(Cl)cc(Cl)c1 100964759 LLXIFXJUEJRWLX-PPQKSTOCSA-N 285.174 4.034 30 40 CIEB Cc1ccc(C(=O)/C=C/c2ccc(Br)o2)cc1 408691660 KSFBOBIBGOCFEW-SOFGYWHQSA-N 291.144 4.247 30 40 CIEB O=C(C1=C(NCc2ccccc2)CCCC1)c1ccccc1 4772437 ILSKNNYGKWPWKS-UHFFFAOYSA-N 291.394 4.487 30 40 CIEB Cc1ccccc1NC(=S)N/N=C/[C@H](C)c1ccccc1 13683672 UHXCVXWAACRCRF-QCUKBLKESA-N 297.427 4.071 30 40 CIEB CN(C)c1ccc(/C=C\C=C\C(=O)c2ccccc2)cc1 16979466 LPBLXAAJRXCURS-FAWHLJIPSA-N 277.367 4.205 30 40 CIEB CCSc1ncc(/C=N/c2ccc(Cl)cc2C)n1C 100250867 YFOIRAYZAVGQNS-LZYBPNLTSA-N 293.823 4.245 30 40 CIEB Cc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2)c(C)n1C 408934614 LZTCUDHYJTYHBQ-OCKHKDLRSA-N 295.308 4.107 30 40 CIEB C(=N/N1CCCCCC1)\c1cccc2ccccc12 1574981 ZXQVDYNHBXONJB-NBVRZTHBSA-N 252.361 4.050 30 40 CIEB C#C[C@](C)(CCC=C(C)C)O[C@@H](C)OCCCC 2299689 YGBFMTSZTTYHNR-JKSUJKDBSA-N 252.398 4.304 30 40 CIEB C=CCOc1ccccc1CNc1ccc(C)cc1 2489946 ILZGCTQXMFZQDH-UHFFFAOYSA-N 253.345 4.172 30 40 CIEB O=C(/C=C/c1cccs1)c1ccc(OC(F)F)cc1 4860341 YHHOHCYRMFPHHJ-BQYQJAHWSA-N 280.295 4.246 30 40 CIEB Cc1ccc(C(=O)/C=C/c2c[nH]nc2-c2ccc(F)cc2)o1 54217111 CVJWHLXDONCSFL-VMPITWQZSA-N 296.301 4.013 30 40 CIEB CCCC(=O)Nc1ccc(/N=C/c2ccccc2)cc1 100384288 CVWYNUHMAZPYLF-QGOAFFKASA-N 266.344 4.176 30 40 CIEB CC(C)=NNc1nc2c(C)ccc(Cl)c2s1 216764455 LNAWIJPJRCNGFP-UHFFFAOYSA-N 253.758 4.066 30 40 CIEB C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccccc1 219795409 PKYMRFUIPBQPPC-AWEZNQCLSA-N 297.423 4.456 30 40 CIEB N#Cc1ccccc1COC(=O)c1ccc2ccccc2c1 3509801 UBGBIMWKRCLPPT-UHFFFAOYSA-N 287.318 4.068 30 40 CIEB C=CCOc1ccc(/C=N/c2ccc(OCC)cc2)cc1 6962563 CGOUSVMARDTJNZ-XMHGGMMESA-N 281.355 4.401 30 40 CIEB O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(Cl)s1 7781103 BQSJOQFSBOPBRZ-HNQUOIGGSA-N 292.743 4.026 30 40 CIEB CS/C(=N/c1ccccc1)NCc1ccc(C)cc1 13082724 KXNAZWRFZBFQMN-UHFFFAOYSA-N 270.401 4.135 30 40 CIEB C/C(=N\OC(=O)c1ccccc1)c1ccccc1N=[N+]=[N-] 15022676 OKTSUQHYUSDVMB-WOJGMQOQSA-N 280.287 4.209 30 40 CIEB CCCCCCCCNCc1ccc(N(C)C)cc1 104156140 YZEVUFBKIWRNBD-UHFFFAOYSA-N 262.441 4.203 30 40 CIEB Oc1ccc(-n2cccc2/C=N/c2cccc(F)c2)cc1 409015409 ADXLWYNRPMUHCF-XDHOZWIPSA-N 280.302 4.073 30 40 CIEB Cc1c(/N=C/c2c[nH]c3ccccc23)cccc1[N+](=O)[O-] 273957 QXENHMXVUMLIQA-RQZCQDPDSA-N 279.299 4.135 30 40 CIEB Cc1ccc(/C=C/C(=O)c2ccc(Br)cc2)o1 4718779 FIPMWEVULNJUIL-CMDGGOBGSA-N 291.144 4.247 30 40 CIEB CC/C(=N\NCc1c(Cl)cccc1Cl)c1ccco1 9197886 BWHVTRHRBKDWCD-QGOAFFKASA-N 297.185 4.490 30 40 CIEB Cc1ccc(/N=C/C(=C\Nc2ccc(C)cc2)[N+](=O)[O-])cc1 13635661 VQZWWZDLMZCBJT-UCXDMDGBSA-N 295.342 4.236 30 40 CIEB Cc1c(C#N)c2ccccc2n1CCCOc1ccccc1 59109361 DDSBFPWDMODEJS-UHFFFAOYSA-N 290.366 4.291 30 40 CIEB CCCC[C@H](CC)[C@H](O)C#Cc1cc(F)ccc1C 95632394 MLSSEAWMEDJYRQ-WMLDXEAASA-N 262.368 4.063 30 40 CIEB O=C(/C=C\c1cccc2ccccc12)c1ccc(O)cc1 96766223 FDLCWJSUCSSVIY-RAXLEYEMSA-N 274.319 4.442 30 40 CIEB CSc1nsc(/C=C/Nc2ccc(C)cc2)c1C#N 100381615 GIMRNMHYLRTZFZ-BQYQJAHWSA-N 287.413 4.128 30 40 CIEB Cc1nc2cc(/N=C\c3ccccc3O)ccc2s1 104218949 LQQMJKWUGOYNKX-SXGWCWSVSA-N 268.341 4.061 30 40 CIEB Cc1ccc(/N=C/c2c[nH]c3ccccc23)cc1[N+](=O)[O-] 297751 HJWSCEINVAGMPK-RQZCQDPDSA-N 279.299 4.135 30 40 CIEB Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 328422 FOOIMSQPUWKROS-UHFFFAOYSA-N 296.395 4.059 30 40 CIEB Cc1csc(N/N=C/c2ccc(Cl)cc2Cl)n1 4038826 QGQUDVAFRROCRZ-LHHJGKSTSA-N 286.187 4.204 30 40 CIEB C/C(=N\OC(=O)C1CC1)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 4084804 CRIHZXSTKMBSDC-AKOHYNGRSA-N 285.387 4.243 30 40 CIEB C=CCNc1nc(-c2ccc(C)c(C)c2)cc(C(F)F)n1 36613923 WAHHJBZQDXGBGF-UHFFFAOYSA-N 289.329 4.296 30 40 CIEB Cc1ccc(C)c(C(=O)/C=C/Nc2cc(F)ccc2F)c1 44844503 BDMFJWJQTARGQP-BQYQJAHWSA-N 287.309 4.390 30 40 CIEB CSC(=Nc1nc2c(C)cccc2s1)SC 57352480 PPTBWZFAYXCBNF-UHFFFAOYSA-N 268.432 4.318 30 40 CIEB C=CCN(CC=C)C(=O)c1cc(OC(C)C)c2ccoc2c1 72240201 FEKJDWGGWYMYCJ-UHFFFAOYSA-N 299.370 4.034 30 40 CIEB CCCCCC[C@@](C)(O)C#Cc1cc(F)c(F)c(F)c1 95632758 QSPAAOXTSOALNG-MRXNPFEDSA-N 284.321 4.177 30 40 CIEB CCCCCCCCCCCCNC(=O)CCCC(=O)O 100921115 NRCFGNYHNNLKPW-UHFFFAOYSA-N 299.455 4.278 30 40 CIEB CC(C)(C)c1cc(N)c(C#N)c(-c2ccccc2)c1 226758361 WEFHIFYARHPFIW-UHFFFAOYSA-N 250.345 4.105 30 40 CIEB Oc1cccc(N=Cc2ccc3ccccc3c2O)c1 260840665 WKCCENKAJXNJLP-UHFFFAOYSA-N 263.296 4.002 30 40 CIEB C=CCNC(=S)Nc1ccc2c(c1)oc1ccccc12 2768461 DBYXWEMZLVLCGI-UHFFFAOYSA-N 282.368 4.058 30 40 CIEB COc1ccc(C(=O)C[C@H](C#N)c2ccccc2Cl)cc1 1597914 SJCFORCEMXXOCU-CYBMUJFWSA-N 299.757 4.229 30 40 CIEB CCCCCCCCOC(=O)C(Cl)(Cl)Cl 1682723 GNKXBEJZRKOBKI-UHFFFAOYSA-N 275.603 4.260 30 40 CIEB Cc1cc(C)cc(NC2=CC(=O)C[C@@H](c3ccco3)C2)c1 9318656 GOTWOIBOGABBNR-AWEZNQCLSA-N 281.355 4.339 30 40 CIEB Cc1cc(C#N)c(C)n1-c1cc(Cl)cc(Cl)c1 32113808 UNXMRPYKDRSQTA-UHFFFAOYSA-N 265.143 4.273 30 40 CIEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1O 76274732 NGJFVEFMBKOLQV-UHFFFAOYSA-N 297.398 4.304 30 40 CIEB COc1cc(C(=O)C=C(C)C)c(Cl)cc1Cl 309510860 PQNAADSRUVODHY-UHFFFAOYSA-N 259.132 4.151 30 40 CIEB N#Cc1ccc(/N=C/c2ccc3ccccc3c2)cc1 293700 UKTDZLFGIKGTQO-DEDYPNTBSA-N 256.308 4.462 30 40 CIEB CCCCCCCCCCCNc1nccc(N)n1 1670192 RCVLKGBPTCZRHT-UHFFFAOYSA-N 264.417 4.002 30 40 CIEB Cc1[nH]c2ccccc2c1/C=N/c1ccccc1[N+](=O)[O-] 5276901 INFTUDOHISOGMZ-LICLKQGHSA-N 279.299 4.135 30 40 CIEB N#Cc1c(COc2ccccc2Cl)cn2ccccc12 32895902 RYXBILDVKREBLH-UHFFFAOYSA-N 282.730 4.043 30 40 CIEB CCCCCCCC#Cc1cc(OC)cc(OC)c1 101733488 YVAPUVLGQJMFNZ-UHFFFAOYSA-N 260.377 4.416 30 40 CIEB C[Si](C)(C)C(F)(F)C(F)(F)OC(F)=C(F)F 627281323 VDJVOCAVEVQLBL-UHFFFAOYSA-N 270.220 4.144 30 40 CIEB C/C(=C\c1ccccc1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 4567982 CQRJGTMFTKHFQQ-CYZWUHAYSA-N 293.322 4.281 30 40 CIEB N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 6269636 XPBGDAVYANBKPR-RCCKNPSSSA-N 287.366 4.449 30 40 CIEB O/N=C(/c1ccc(Cl)cc1)[C@@H]1C[C@@H]1c1ccccc1 13140597 WFQZPHNZEAURIF-RRNJOWJLSA-N 271.747 4.322 30 40 CIEB O=C1/C(=C\c2ccccc2)CCC/C1=C\c1ccco1 34876661 JLSHBKOYWMSCCR-RHDGPOJRSA-N 264.324 4.500 30 40 CIEB CCCCCCCSC(=S)N(CCC#N)CCC#N 100933987 NWEBFKASFONGOX-UHFFFAOYSA-N 297.493 4.104 30 40 CIEB Brc1ccc(/C=N\OCc2ccccc2)s1 198566075 MNTDBYYJSFDPTB-ZSOIEALJSA-N 296.189 4.061 30 40 CIEB O/N=C(/c1ccc(Cl)cc1)[C@H]1C[C@@H]1c1ccccc1 13140598 WFQZPHNZEAURIF-ZZTOHSHTSA-N 271.747 4.322 30 40 CIEB C=C(Cl)/C(=N/c1ccccc1C)NC(C)(C)C 17127950 IBEHDILOURZJTE-UHFFFAOYSA-N 250.773 4.166 30 40 CIEB COc1cccc(/C=N/c2cc(C(C)C)c(O)cc2C)c1O 17288048 SLSSRAYWFSHHDU-VXLYETTFSA-N 299.370 4.289 30 40 CIEB COc1ccccc1/N=C/c1ccc2ccccc2c1O 32101541 PCFCGSXZRQVKDQ-XDHOZWIPSA-N 277.323 4.305 30 40 CIEB C=CCOc1cccc(NC(=O)Cc2cc(C)ccc2C)c1 38753899 QNDNNYOXTMDZFO-UHFFFAOYSA-N 295.382 4.049 30 40 CIEB CCC[C@H]1CCCN(Cc2cc(C#N)ccc2F)CC1 70217506 RLGIDDGQOPBVNU-AWEZNQCLSA-N 274.383 4.100 30 40 CIEB Cc1ccc(C(=O)/N=C2\C[C@@H]3CC[C@]2(C)C3(C)C)cc1 100834722 QHRWIYCBIBBJQB-JPDWSRQKSA-N 269.388 4.422 30 40 CIEB N#Cc1cnccc1Oc1cccc(-c2ccccc2)c1 685937681 NQLAJDVASOICOE-UHFFFAOYSA-N 272.307 4.413 30 40 CIEB CC(C)(Br)C(=O)/C=C/c1ccc(Cl)cc1 1592435 QCNOEGPEDALQFH-VMPITWQZSA-N 287.584 4.096 30 40 CIEB N#CCCCCCC(=O)c1cccc(Br)c1 2392779 HOMPSBVEEFFHKC-UHFFFAOYSA-N 280.165 4.106 30 40 CIEB O=C(/C=C/c1c[nH]c2ccccc12)c1cccs1 4826860 JUIAOWGQECPCGY-BQYQJAHWSA-N 253.326 4.126 30 40 CIEB O=C(/C=C/c1cccc(Br)c1)c1ccccc1 5515459 COYCXICZZVMYLE-MDZDMXLPSA-N 287.156 4.345 30 40 CIEB C=CCn1c(-c2ccc(Br)cc2)c[nH]c1=S 26423098 QBTQKJANMPUOCT-UHFFFAOYSA-N 295.205 4.161 30 40 CIEB N#Cc1c(OCc2cccc(F)c2)ccc2ccccc12 33747415 NSNXRPZYJQKXIQ-UHFFFAOYSA-N 277.298 4.430 30 40 CIEB N#Cc1ccc(Nc2cccc3ccccc23)c(N)c1 35674460 WDKUWGSBZUUFGR-UHFFFAOYSA-N 259.312 4.037 30 40 CIEB N#CCc1nc(-c2ccc(Cc3ccccc3)cc2)cs1 274026 LDESEURASFMYKK-UHFFFAOYSA-N 290.391 4.467 30 40 CIEB Cc1ccc(C[C@H](C#N)Sc2nc3ccccc3o2)cc1 6587557 HRTBTMCUIXODEZ-CQSZACIVSA-N 294.379 4.363 30 40 CIEB C=CCc1ccccc1/C=C1\OC(=O)c2ccccc21 17112045 APGVSLZXIXOPAY-ATVHPVEESA-N 262.308 4.084 30 40 CIEB CCCC[C@@H](CC)[C@H](O)C#Cc1ccc(CC)cc1 95632162 IOKMJMMDNWIBAE-QZTJIDSGSA-N 258.405 4.178 30 40 CIEB Cc1ccc(/N=C/c2ccc(N(C)C)cc2)cc1C 100050098 HDROJFNYZIYFFQ-LDADJPATSA-N 252.361 4.120 30 40 CIEB O/N=C\c1c(OCc2ccccc2F)ccc2ccccc12 100250069 NXPREALPZLAHIF-JAIQZWGSSA-N 295.313 4.366 30 40 CIEB CCn1c(C)c(/C=N/Nc2ccccc2)c2ccccc21 169876631 REBVXWVOXPDLAM-CPNJWEJPSA-N 277.371 4.416 30 40 CIEB C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1O 409120672 VHZATYSPWUELIJ-UHFFFAOYSA-N 297.398 4.440 30 40 CIEB N#C[C@@H]1C[C@H](c2ccccc2)Nc2cc(Cl)ccc2N1 1578798 JUEAFDHIWLJVJJ-DZGCQCFKSA-N 283.762 4.201 30 40 CIEB CCCCCC[C@](C)(O)C#C[C@@](C)(O)CCCCCC 1687080 WDWJDXFFWSXMBZ-ROUUACIJSA-N 282.468 4.433 30 40 CIEB N#C[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1 2547084 ZKQZXOHHGSSQLN-SJLPKXTDSA-N 296.801 4.079 30 40 CIEB N#CCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 3239331 SEISKGMLVBKBHK-UHFFFAOYSA-N 293.757 4.259 30 40 CIEB CC(/C=C/c1ccccc1)=N\Nc1ccc(F)cc1F 5415759 VRKGIPVNPUZHBE-UDRLLYAISA-N 272.298 4.466 30 40 CIEB Clc1ccc(/N=C\c2ccc3c(c2)OCO3)c(Cl)c1 16974522 LXWLMUHIUOLHJN-IDUWFGFVSA-N 294.137 4.473 30 40 CIEB Clc1ccc(Cl)c(/N=C/c2ccc3c(c2)OCO3)c1 17837987 FWKALYKRLGTKDE-REZTVBANSA-N 294.137 4.473 30 40 CIEB Cc1ccc(OCCn2c(C)c(C#N)c3ccccc32)cc1 555454 AOKQUHATRGZTCS-UHFFFAOYSA-N 290.366 4.209 30 40 CIEB N#Cc1cc([N+](=O)[O-])ccc1Nc1cccc2ccccc12 7271378 UGMXQUZNBRJSKA-UHFFFAOYSA-N 289.294 4.363 30 40 CIEB COc1ccc(C(=O)/C=C/c2ccccc2C)cc1F 7336059 LMJPYTYKLBFOFT-VQHVLOKHSA-N 270.303 4.039 30 40 CIEB C[C@H]1CCc2c(sc(/N=C/c3ccccc3O)c2C#N)C1 13590776 GKACGOGXMZWNPZ-VSMYLPJWSA-N 296.395 4.201 30 40 CIEB CCN(CC)c1ccc(/N=C\c2ccccc2[N+](=O)[O-])cc1 18105676 XGEMBWZUWCISAT-AQTBWJFISA-N 297.358 4.192 30 40 CIEB CCCOc1ccc(N/C=C2/CCC[C@@H](C)C2=O)cc1 409183703 SCZPNCSRVPZONE-NXXVSJRMSA-N 273.376 4.160 30 40 CIEB Cc1cc(/C=N/c2ccccc2)c(C)n1-c1ccccn1 409246374 HKQNKQHFDRHMOK-DEDYPNTBSA-N 275.355 4.240 30 40 CIEB Cc1ccccc1-c1nc(C#N)c(N2C[C@@H](C)C[C@H](C)C2)o1 552557 IDAHVDRLINGVEQ-STQMWFEESA-N 295.386 4.004 30 40 CIEB CCCCCCCCOc1ccc(C=O)cc1OC 1792797 QMKWJIBTLNGQMS-UHFFFAOYSA-N 264.365 4.247 30 40 CIEB COc1ccc(C(=O)/C=C/Nc2ccc(C)c(C)c2)cc1 2793780 JYZATFVMWNJUFL-ZHACJKMWSA-N 281.355 4.121 30 40 CIEB Cc1ccc(N/N=C/c2cccc(C(F)(F)F)c2)cc1 6029912 BHXJRBPOYJLTML-VXLYETTFSA-N 278.277 4.460 30 40 CIEB Cc1cccc(N/N=C2/Sc3ccccc3C2=O)c1C 408719923 HOSPBRPWCHAWCG-FBMGVBCBSA-N 282.368 4.017 30 40 CIEB Cc1c(Cl)cccc1N/C=C1/CCC[C@H](C)C1=O 409176163 JGBJNQMQKNLINL-JMZICWNOSA-N 263.768 4.333 30 40 CIEB Oc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)c(O)c1 65527 LWAVKPRNKRXMAB-FRKPEAEDSA-N 282.126 4.155 30 40 CIEB C/N=C(/Nc1ccc2ccccc2c1)c1ccccc1 8075038 TUSJQWBTBXCNFY-UHFFFAOYSA-N 260.340 4.328 30 40 CIEB C[C@H]1C[C@H](c2ccccc2F)N(c2cccc(F)c2C#N)C1 95403344 DBLMFJRXCWDNFK-KPZWWZAWSA-N 298.336 4.424 30 40 CIEB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)/C(=N\O)CC[C@@H]12 104275812 UPFPBOLHKZHRQR-OBDXEGJESA-N 299.414 4.382 30 40 CIEB O=C1/C(=C/c2cccc(F)c2)CSc2c(F)cccc21 15662166 GNDYOVUBMDJNGM-YRNVUSSQSA-N 288.318 4.337 30 40 CIEB CCCCCCC[C@H]1CC(=O)C=C(C)[C@H]1C(=O)OCC 17574401 YCUJKPOBGRFMCA-GOEBONIOSA-N 280.408 4.062 30 40 CIEB C/C(=N/N=C(c1ccccc1)c1ccccc1)c1ccccn1 82072451 RROKOHKGGNLPAS-JWGURIENSA-N 299.377 4.343 30 40 CIEB Cc1ccc(C(=O)/N=C2\C[C@H]3CC[C@@]2(C)C3(C)C)cc1 100834728 QHRWIYCBIBBJQB-DAQWZKQOSA-N 269.388 4.422 30 40 CIEB CCCCc1ccc(C#N)n1Cc1ccc(Cl)cc1 226027142 GROGGRYPMLECEP-UHFFFAOYSA-N 272.779 4.404 30 40 CIEB N#Cc1cncc(Oc2ccccc2-c2ccccc2)c1 685937797 SCVVCHQTTXCYIP-UHFFFAOYSA-N 272.307 4.413 30 40 CIEB CCCCCCCC(=O)c1ccc(NC(C)=O)cc1 1697500 OIQDFVPNTAYFSD-UHFFFAOYSA-N 261.365 4.188 30 40 CIEB biogenic Cc1ccc([C@@H]2C[C@H]2/C(=N/O)c2ccc(F)cc2)cc1 5617813 NMEWOZJNPFNNIR-LBGXLTHVSA-N 269.319 4.116 30 40 CIEB C=C(C)CNC(=S)N(Cc1ccccc1)c1ccccc1 7584180 OCPUTODLMGPATL-UHFFFAOYSA-N 296.439 4.144 30 40 CIEB CC(=O)Nc1ccc(/N=C/C=C\c2ccccc2)cc1 17424856 VBVIHTXIAIZPPN-OCXBCZNUSA-N 264.328 4.061 30 40 CIEB Cc1ccccc1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 22726648 WAWGRNAGCZARAX-LZYBPNLTSA-N 290.706 4.013 30 40 CIEB CCCC[C@@H](CC)[C@@H](O)C#Cc1ccc(C)c(C)c1 95633602 WWRWSEWYNIUGND-MSOLQXFVSA-N 258.405 4.232 30 40 CIEB Fc1ccc(SC(F)(F)F)cc1C(F)(F)F 95918017 CPYYGKSSYWTATB-UHFFFAOYSA-N 264.165 4.456 30 40 CIEB C[C@H]1/C(=N/O)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 96903510 WRZFUOOSXMQGBT-CMEPIEOSSA-N 294.398 4.271 30 40 CIEB C=CCCC(=O)c1ccc(Br)c(Cl)c1 168415472 LIXWKMKIQBOMSZ-UHFFFAOYSA-N 273.557 4.251 30 40 CIEB CCCCN1c2cc(OC)c(C#N)cc2[C@@H](C)CC1(C)C 223776946 RITJVPDHZMKWLP-ZDUSSCGKSA-N 286.419 4.459 30 40 CIEB N#C[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1Cl 547920 NLIPJIRMLJKKJX-NSHDSACASA-N 290.681 4.043 30 40 CIEB C[C@H]1CCC[C@H](C)N1/N=C/c1cccc(Br)c1 5752559 XIHULUDAWNYTRF-ATARQRRYSA-N 295.224 4.046 30 40 CIEB COc1cccc(/C(C)=N/Nc2ccc3ccccc3n2)c1 20986090 LLFQSLZOVNMVCR-DEDYPNTBSA-N 291.354 4.080 30 40 CIEB CCCC[C@@H](CC)[C@@H](O)C#Cc1ccc(C)c(F)c1 95633695 UHVUIXUBUQKCQT-WBVHZDCISA-N 262.368 4.063 30 40 CIEB CCCN1c2cc(C)c(C#N)cc2[C@H](C)CC1(C)C 260725554 XYTZEQZCNCGLJX-CYBMUJFWSA-N 256.393 4.369 30 40 CIEB Oc1ccccc1/N=C/c1c(Cl)cccc1Cl 40872 GYHNHYVUICZMLA-LZYBPNLTSA-N 266.127 4.450 30 40 CIEB Cc1ccccc1[C@@H](CC(=O)c1cccs1)C(C#N)C#N 506841 NEEVBWZTPVZUSU-HNNXBMFYSA-N 294.379 4.076 30 40 CIEB C[C@@H]1CCCc2sc(NC(=O)c3ccccc3)c(C#N)c21 507971 VHLBUYMJJTUEMR-LLVKDONJSA-N 296.395 4.312 30 40 CIEB N#CCCN(C(=O)Nc1cccc(Cl)c1)c1ccccc1 2503577 RPGNEKICOLXCGB-UHFFFAOYSA-N 299.761 4.292 30 40 CIEB Cc1ccc(C#N)c(SCc2nccc3ccccc23)n1 6275932 AWBHRVPDDMNADH-UHFFFAOYSA-N 291.379 4.102 30 40 CIEB C=CCN1[C@H](c2ccccc2)C[C@]2(C)C(=O)CCCC[C@H]12 95951589 HQLPLGDXGVQSPT-LNLFQRSKSA-N 283.415 4.137 30 40 CIEB biogenic N#Cc1ccc2ccn(Cc3cccc(Cl)c3)c2c1 216945256 AEOJCNARJVRJQL-UHFFFAOYSA-N 266.731 4.215 30 40 CIEB Oc1ccc(-n2cccc2/C=N/c2ccc(F)cc2F)cc1 409024416 SAQCXEJEKREFIH-RGVLZGJSSA-N 298.292 4.212 30 40 CIEB O/N=C1\CCc2c1[nH]c1ccc(C3CCCCC3)cc21 226846 YZYVLVHSYYCRAK-KNTRCKAVSA-N 268.360 4.340 30 40 CIEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/OC(=O)c1ccccc1)C2 1448539 WFHKORUOUZRZQM-FVRDMHNUSA-N 271.360 4.046 30 40 CIEB N#Cc1cc([N+](=O)[O-])ccc1Sc1ccccc1Cl 3506343 QPYRFOXCZBULAD-UHFFFAOYSA-N 290.731 4.271 30 40 CIEB C(=N\N(Cc1ccccc1)c1ccccc1)\c1ccncc1 4530181 IGLLZRSXKVWXEV-QNGOZBTKSA-N 287.366 4.122 30 40 CIEB C/C(=N/Nc1nc(C)cc(C)n1)c1ccc2ccccc2c1 4897754 FGZWRRBHDZVRDX-STZFKDTASA-N 290.370 4.083 30 40 CIEB COc1ccc(C(=O)/C=C/c2ccccc2Cl)cc1F 12739930 ZPJVPFIWKJRXQA-SOFGYWHQSA-N 290.721 4.384 30 40 CIEB O=C(/C=C/c1ccccc1F)c1nc2ccccc2s1 13001899 NKMYULTXHZKNIG-MDZDMXLPSA-N 283.327 4.332 30 40 CIEB C#CCOc1ccc(CNc2cc(Cl)ccc2C)cc1 27907552 HEBJIMMSRZVEPR-UHFFFAOYSA-N 285.774 4.273 30 40 CIEB C=CCOc1ccccc1CNc1ccccc1CC 37213329 XJXLEVZTZLQNAV-UHFFFAOYSA-N 267.372 4.426 30 40 CIEB CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H]2CC=CCC2)cc1 66396733 VJIGWAYQHRYWRW-RDJZCZTQSA-N 296.414 4.021 30 40 CIEB CCCN1c2cc(F)c(C#N)cc2[C@H](C)CC1(C)C 260719657 LGCAMIHHQGRWPN-LLVKDONJSA-N 260.356 4.200 30 40 CIEB CCCCOc1ccc(/C=N\Nc2ccccc2)cc1 408604705 WJPFXZDMIPGZBB-JXAWBTAJSA-N 268.360 4.312 30 40 CIEB Cc1c(/C=N\Cc2ccccc2)c2ccccc2n1C 408857250 NLHLRVBWYZEBAN-UYRXBGFRSA-N 262.356 4.106 30 40 CIEB O=C(/C(=C\N1CCCC1)c1ccccc1)c1ccccc1 4267354 RKKIUZUPPFRCAD-SDXDJHTJSA-N 277.367 4.006 30 40 CIEB O=C(/C=C/c1ccc(Br)s1)c1cccs1 7740198 QDXNKXNUMPOSJV-HWKANZROSA-N 299.214 4.468 30 40 CIEB C#CCSc1cc(Cl)c(Cl)cc1Cl 98175235 BUJUDEPTTUSLQL-UHFFFAOYSA-N 251.565 4.372 30 40 CIEB C/C(Nc1cccc(Cl)c1)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C 100751072 XDODUAVLONYHLS-BZOBAROVSA-N 275.779 4.271 30 40 CIEB biogenic CCOc1cccc(/C=N/c2cc(C(C)C)ccc2O)c1O 102414146 FMOYMSIZYHLDTD-YBFXNURJSA-N 299.370 4.371 30 40 CIEB Cc1cc(C)c(C(=O)/C(O)=C\c2ccccc2)c(C)c1 104250379 WTUYWZZLGKXOSQ-LFIBNONCSA-N 266.340 4.394 30 40 CIEB Fc1cccc(/C=N\C23CC4CC(CC(C4)C2)C3)c1 104282707 SBYXKPMABCQSKG-ODLFYWEKSA-N 257.352 4.213 30 40 CIEB Cc1ccc2c(c1)C(=O)/C(=C1\CCc3ccc(C)cc31)C2 104312932 OWRSFEGPAJAENL-KNTRCKAVSA-N 274.363 4.442 30 40 CIEB CCCn1c(C#N)cc(N)c1Sc1ccc(Cl)cc1 225888710 HWLADUZQFORVIR-UHFFFAOYSA-N 291.807 4.157 30 40 CIEB C(=N/c1nc2c(s1)-c1ccccc1CC2)\c1ccncc1 408722788 NDEBUFQCDGMBCL-YBFXNURJSA-N 291.379 4.054 30 40 CIEB CC(C)(C)c1ccc(/C=C/C(=O)c2ccco2)cc1 16323041 DKDTTZQVNLUVFY-DHZHZOJOSA-N 254.329 4.473 30 40 CIEB N#Cc1ccc(Sc2nc3ccccc3s2)cc1 19867926 ZWCMOTOSWBSKTF-UHFFFAOYSA-N 268.366 4.319 30 40 CIEB C=CCc1ccccc1OCCCn1ncc2ccccc21 35606226 VWTDAXYPYRXKDA-UHFFFAOYSA-N 292.382 4.234 30 40 CIEB Cc1ccc(/C=C2\C(=O)[C@]3(C)CC[C@@H]2C3(C)C)cc1 100020535 HEOCBCNFKCOKBX-ZZVGLVNZSA-N 254.373 4.404 30 40 CIEB in-man COc1ccc(C/N=C/c2c(O)ccc3ccccc23)cc1 5287238 FRXFMOCMLIKNCF-DEDYPNTBSA-N 291.350 4.173 30 40 CIEB O=C(/C=C\c1ccccc1O)c1cccc2ccccc12 5722972 WZDDSECARSIVPZ-SEYXRHQNSA-N 274.319 4.442 30 40 CIEB CC(=O)Nc1cccc(C(=O)/C=C/c2cccc(Cl)c2)c1 7743980 VYUPFCRGPYXPAW-CMDGGOBGSA-N 299.757 4.195 30 40 CIEB Cc1cc(/C=N\c2ccccc2Cl)cc(C)c1O 108046632 XULFZDILMBRGOV-MFOYZWKCSA-N 259.736 4.413 30 40 CIEB C/C(=N\OCc1ccc(C#N)cc1)c1cc2ccccc2o1 6046916 IJKHGSOTAOYVTL-DEDYPNTBSA-N 290.322 4.245 30 40 CIEB O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1Cl 6048984 KAXAXONDFJZQEM-MDZDMXLPSA-N 287.702 4.144 30 40 CIEB C=CCNc1nc(-c2cc(C)ccc2OC(F)F)cs1 22194982 SKVWUVLTWXWASD-UHFFFAOYSA-N 296.342 4.318 30 40 CIEB N#Cc1cc(N)ccc1Nc1ccc(Cl)c(Cl)c1 41020553 IOOXMFCRQMZTTG-UHFFFAOYSA-N 278.142 4.191 30 40 CIEB CCC(=O)Nc1ccc(/N=C/c2ccc(C)s2)cc1 100384275 KJLZEDHIFFKBTC-MHWRWJLKSA-N 272.373 4.156 30 40 CIEB CCC[C@H]1CCc2c(sc(NC(=O)OCC)c2C#N)C1 371931 WHEFQRIANOUFIG-JTQLQIEISA-N 292.404 4.093 30 40 CIEB CC1=CC(=NSc2ccc(Cl)cc2)C=C(C)C1=O 3203237 HGTXDKQPTNXXMP-UHFFFAOYSA-N 277.776 4.263 30 40 CIEB CC[C@H]1CS/C(=N\c2ccc(Cl)c(Cl)c2)N1 3885648 GBJUVUCRKGNZJC-ZETCQYMHSA-N 275.204 4.096 30 40 CIEB C/C(=N\Nc1nc2ccccc2s1)c1ccccc1 4616460 GWKADYKJUSXKLK-GZTJUZNOSA-N 267.357 4.132 30 40 CIEB O/N=C\c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 11864402 IBTFSZSGYKBBGA-IUXPMGMMSA-N 296.153 4.381 30 40 CIEB CC(=N/Nc1ccccc1)/N=N/c1ccc([N+](=O)[O-])cc1 16979404 FHIGZTOTTOEVNT-IMZVSMLQSA-N 283.291 4.124 30 40 CIEB O/N=C1\CCC=CCC[C@H]1SC1CCCCC1 18032658 JNDFSKXZQKCPMO-WKSMNZEISA-N 253.411 4.381 30 40 CIEB CCCN(CC#Cc1ccc(C)c(Cl)c1)CCC 95631651 DWJFEFRINBYHOY-UHFFFAOYSA-N 263.812 4.122 30 40 CIEB CCCCC[C@@H](O)C#Cc1ccc(CCCC)cc1 95633273 MKYXKKUZPQYLHL-GOSISDBHSA-N 258.405 4.322 30 40 CIEB C=C1c2[nH]c3ccccc3c2[C@@H]2[C@@H](CC)[C@@H]1CCN2C 100002738 MFFIRXGJJPPAMA-JCGVRSQUSA-N 266.388 4.214 30 40 CIEB C=C(C)c1cc(Br)ccc1Br 1776011352 BVDQINJPEWXKJS-UHFFFAOYSA-N 275.971 4.245 30 40 CIEB C[C@]12CCCC[C@H]1C1(C=CC(=O)C=C1)C(c1ccccc1)=N2 974215 HNGDLSQOOANPDO-MJGOQNOKSA-N 291.394 4.120 30 40 CIEB O=[N+]([O-])c1cccc2cccc(/C=N\c3ccccc3)c12 4701139 HJULTFDBOGYJPT-PDGQHHTCSA-N 276.295 4.499 30 40 CIEB CCC/C(=N\Nc1nc2ccccc2[nH]1)c1ccccc1 4864842 LIWDYDNZSWNISC-XSFVSMFZSA-N 278.359 4.179 30 40 CIEB C#CCOc1ccccc1/C=N/c1cccc(Cl)c1C 8278054 PTQVHQXQUKMGPI-XDHOZWIPSA-N 283.758 4.411 30 40 CIEB O=C(/C=C/c1ccsc1)c1ccc(Br)cc1 13137528 QSIZOZZMXAZCQG-LZCJLJQNSA-N 293.185 4.407 30 40 CIEB Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1 18067015 RLORVBCBIPWMNO-VCHYOVAHSA-N 269.344 4.280 30 40 CIEB COc1cccc(/C=N/c2cccc3c2CCCC3)c1O 22727257 WQUMBPDAIFDAFS-XDHOZWIPSA-N 281.355 4.030 30 40 CIEB CC1(C)[C@@H]2CC[C@H]3C[C@@H](CCC#N)CC[C@H]3[C@]21C#N 102970625 CTCLHILTZWHHQS-KSXIZUIISA-N 256.393 4.282 30 40 CIEB Cc1ccc(Cl)cc1/N=C\c1ccc2c(c1)OCO2 104225465 OAGYLBUTCPSOMI-IUXPMGMMSA-N 273.719 4.128 30 40 CIEB CC(C)Cn1c(C#N)cc(N)c1Oc1ccc(Cl)cc1 225882154 CICNPIUAINRVOY-UHFFFAOYSA-N 289.766 4.044 30 40 CIEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 4979148 BWHNNXOBQZTTNA-MHWRWJLKSA-N 289.722 4.084 30 40 CIEB COc1ccc(C#N)cc1OCc1cccc2ccccc12 11959774 OWCLYGJUTGEMLX-UHFFFAOYSA-N 289.334 4.299 30 40 CIEB N#C[C@@H](c1ccccc1Cl)N1CCc2sccc2C1 22054841 JFDVAYOTONCKQN-AWEZNQCLSA-N 288.803 4.024 30 40 CIEB in-vitro N#Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 41127064 UIJRYGOLZRONSM-UHFFFAOYSA-N 254.676 4.020 30 40 CIEB CC[C@H](C)n1c(C#N)cc(N)c1Oc1cc(C)ccc1C 225885005 DTRGOJLLXWKIDA-ZDUSSCGKSA-N 283.375 4.322 30 40 CIEB O=C1/C(=C/c2ccc(Br)cc2)C2CCC1CC2 501308 GAZZZMDTVSRPMX-NTEUORMPSA-N 291.188 4.222 30 40 CIEB C[C@@]12CCCC[C@H]1C1(C=CC(=O)C=C1)C(c1ccccc1)=N2 974216 HNGDLSQOOANPDO-IEBWSBKVSA-N 291.394 4.120 30 40 CIEB CCCCCCCCNC(=O)Nc1ccc(F)cc1 3159288 FIRRHCAHWXAQEE-UHFFFAOYSA-N 266.360 4.308 30 40 CIEB O=C1CCC/C1=N\Nc1ccc(C2CCCCC2)cc1 5344426 MULXBWMVRUNZTN-KNTRCKAVSA-N 270.376 4.255 30 40 CIEB CN(C)/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 5719527 JUYDRKIFWMRWQZ-LZYBPNLTSA-N 283.158 4.149 30 40 CIEB C=CCN(C(=O)C/C=C/c1ccc(F)cc1)c1ccccc1 78987610 LRBOWEGQXJMOLE-VOTSOKGWSA-N 295.357 4.448 30 40 CIEB Cc1cnc(-c2cccc(NCc3ccc(C#N)cc3)c2)o1 95429058 OAPMCXGUNNOWDO-UHFFFAOYSA-N 289.338 4.134 30 40 CIEB Cc1cc(C)c2c(c1)C(=O)/C(=C\c1cccc(O)c1)CC2 96767071 RGDMCKNHNWKHJC-GDNBJRDFSA-N 278.351 4.222 30 40 CIEB CCCCCCCCCCCC[C@H](CC(=O)O)C(=O)O 103601597 YLAXZGYLWOGCBF-CQSZACIVSA-N 286.412 4.473 30 40 CIEB Oc1ccccc1/C=N\c1ccc(Cl)c2cccnc12 104222869 MVWCJKYEPXFMET-GRSHGNNSSA-N 282.730 4.344 30 40 CIEB CCc1c(-c2ccccc2)[nH]c(=S)c(C#N)c1C 1642072 HQNGLBYLNVDLGX-UHFFFAOYSA-N 254.358 4.154 30 40 CIEB N#CCCCSc1nn(-c2ccccc2)c(=S)s1 14163476 AFCAOLGPLLUDGW-UHFFFAOYSA-N 293.442 4.059 30 40 CIEB C=C(Br)Cc1cc(C)c(Cl)c(C)c1 95731203 UDJFWGOXQSWBEI-UHFFFAOYSA-N 259.574 4.408 30 40 CIEB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC/C(=N/O)[C@]3(C)CC[C@@H]21 102318256 UPFPBOLHKZHRQR-RGZGGPMTSA-N 299.414 4.382 30 40 CIEB C=C(C)C(=O)c1ccc(Br)c(C(F)(F)F)c1 169186786 HXAGJQVSBOLFSE-UHFFFAOYSA-N 293.082 4.227 30 40 CIEB CC[C@@H](C)n1c(C#N)cc(N)c1Oc1ccccc1C 225879212 AOWKEYAJUBVCNU-GFCCVEGCSA-N 269.348 4.014 30 40 CIEB COc1ccc(/C=N/c2ccc(C)c(C)c2)c(OC)c1 409201426 MQDOTOQJTYJDDJ-WOJGMQOQSA-N 269.344 4.071 30 40 CIEB C=CCOc1cccc(/C=N\c2ccc(OCC)cc2)c1 409217889 YBOGNUOOCFARAD-RGEXLXHISA-N 281.355 4.401 30 40 CIEB C(#Cc1ccccc1)C[N+]1(Cc2ccccc2)CCCCC1 1252529 HYMGVKIFMNVUJQ-UHFFFAOYSA-N 290.430 4.239 30 40 CIEB C=CCNC(=S)Nc1ccc2oc3ccccc3c2c1 2769896 APUTUNXZRIVHTC-UHFFFAOYSA-N 282.368 4.058 30 40 CIEB CCc1ccc(/C=N/Nc2nc3ccccc3s2)cc1 5020648 ZAPHACHFAWPJCP-GZTJUZNOSA-N 281.384 4.305 30 40 CIEB COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OC 8570816 RFKWAXUNXGYSTJ-VCHYOVAHSA-N 289.762 4.416 30 40 CIEB C[C@@H]1C(=NO)[C@@H](C)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 55433404 XIRQHDWKOLWYKM-QZCPTFHJSA-N 294.398 4.175 30 40 CIEB Cc1ccc(/C=N\C23CC4CC(CC(C4)C2)C3)cc1 104282725 ZIXNNHAEEXZXRN-UNOMPAQXSA-N 253.389 4.383 30 40 CIEB Cc1c(/C=N\c2ccc(C#N)cc2)c2ccccc2n1C 408853864 YQCPMCHPPQZWLX-NDENLUEZSA-N 273.339 4.109 30 40 CIEB C[C@]12CCCC[C@@H]1C1(C=CC(=O)C=C1)C(c1ccccc1)=N2 974217 HNGDLSQOOANPDO-HKUYNNGSSA-N 291.394 4.120 30 40 CIEB Cc1ccccc1CS/C(=N/C#N)Nc1ccccc1F 6816259 JDTNDLPUCITRPU-UHFFFAOYSA-N 299.374 4.317 30 40 CIEB N#Cc1cccc(-c2nc3cc(Cl)ccc3o2)c1 41127480 HNEKQWNGBSTIBN-UHFFFAOYSA-N 254.676 4.020 30 40 CIEB Cc1sc(NC(=O)CC#N)nc1-c1ccc(C(C)C)cc1 72333513 FAWMQQGWLOZCNL-UHFFFAOYSA-N 299.399 4.094 30 40 CIEB CN(C)c1ccc(/C=N\c2cnc3ccccc3c2)cc1 104262725 XNYOYADMHVNHHA-UNOMPAQXSA-N 275.355 4.051 30 40 CIEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)NC2 128665 PPDGDYXNGBQWKT-UHFFFAOYSA-N 277.367 4.408 30 40 CIEB Cc1ccc(Cl)c(Oc2ccc([N+](=O)[O-])cc2C#N)c1 2638867 PWLXAUBEXBOOAW-UHFFFAOYSA-N 288.690 4.221 30 40 CIEB Cc1cc(/C=C\c2ccccc2)c(C#N)c(=S)[nH]1 4526384 PXCLOCSRFMKGES-FPLPWBNLSA-N 252.342 4.095 30 40 CIEB Cc1ccccc1/C=N/Nc1ncnc2sc(C)c(C)c12 6509354 XGWRGRYLCCOISW-UFWORHAWSA-N 296.399 4.063 30 40 CIEB Cc1ccc(N/C=C\C(=O)c2ccccc2)cc1Cl 16312826 WPMZIXKAUVNQEA-KTKRTIGZSA-N 271.747 4.457 30 40 CIEB CC(C)CCCC#CCN1CCCC[C@@H]1c1cccnc1 55243452 FALZIPIZZJECMF-LJQANCHMSA-N 284.447 4.438 30 40 CIEB biogenic C#Cc1cccc(OCc2ccccc2C(F)(F)F)c1 138202921 XTBKBSUZZGVJCA-UHFFFAOYSA-N 276.257 4.266 30 40 CIEB CC(C)Oc1c(Cl)cc(C(C)(C)C)cc1C#N 225292072 VGPZEDFFVIIQKC-UHFFFAOYSA-N 251.757 4.296 30 40 CIEB CCc1cccnc1C(O)=Nc1ncc(C(C)(C)C)s1 330551313 FMELJUPEGAOKAQ-UHFFFAOYSA-N 289.404 4.034 30 40 CIEB CCc1ccc(N/C=C/C(=O)c2cccs2)cc1 409352438 YWTMFNPQGKFLFO-MDZDMXLPSA-N 257.358 4.119 30 40 CIEB Cc1ccsc1/C=N/Nc1ccc2ccccc2n1 5579860 PIKARIPADNTNGU-MHWRWJLKSA-N 267.357 4.051 30 40 CIEB CCCOc1ccccc1/C=N/c1ccc(OC)cc1 6943319 POVJXLZNVYZOKL-QGOAFFKASA-N 269.344 4.235 30 40 CIEB CCOc1ccc(/C=N/c2ccccc2C)cc1OC 6964111 QDWQOLKFZYQYOK-LDADJPATSA-N 269.344 4.153 30 40 CIEB CCCOc1ccc(N/C=C/C(=O)c2ccccc2)cc1 32194159 IMNAEXYMNNCMCB-OUKQBFOZSA-N 281.355 4.284 30 40 CIEB CC/C(C)=N\Nc1nc2c(C)cc(Cl)cc2s1 45954185 MFGYITAXIMUFHI-NVNXTCNLSA-N 267.785 4.456 30 40 CIEB COc1ccc(Cl)c(C(=O)/C=C/c2ccccc2)c1 83205331 JYWTZBOBRDAYBU-JXMROGBWSA-N 272.731 4.245 30 40 CIEB CCCCCCCCCCCCCC1=NCCN1CCO 100695156 KUHILYGRHCIQJN-UHFFFAOYSA-N 296.499 4.394 30 40 CIEB O/N=C1/[C@H]2CC[C@@H](C2)[C@H]1Nc1cc(Cl)cc(Cl)c1 100964764 LLXIFXJUEJRWLX-VYIUVHRYSA-N 285.174 4.034 30 40 CIEB C=CCN(CC=C)C(=O)C12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2 100992740 KBNISGQJMMCIIA-KNCVXQGMSA-N 287.447 4.184 30 40 CIEB N#Cc1ccc2ccn(Cc3ccc(F)cc3Cl)c2c1 216945379 SMNLGLDTLYQKNG-UHFFFAOYSA-N 284.721 4.354 30 40 CIEB Cn1cccc1/C=N/c1ccc(Br)c(Cl)c1 409104354 DHZYSSWJCWJZFM-OVCLIPMQSA-N 297.583 4.192 30 40 CIEB CCN(CC)c1ccc(/C=N/c2ccc(C#N)cc2)cc1 46464 PITVCCUYEUVMGY-XSFVSMFZSA-N 277.371 4.155 30 40 CIEB C=CC[n+]1c(-c2ccccc2)csc1NC(C)(C)C 1498018 BRDSDLMDBMNKPS-UHFFFAOYSA-O 273.425 4.099 30 40 CIEB Cc1cccc(/N=C/c2cc(Cl)ccc2O)c1C 5273520 DCDMYFHMHRNAKY-RQZCQDPDSA-N 259.736 4.413 30 40 CIEB CSc1ccc(/C=C/C(=O)c2nc3ccccc3[nH]2)cc1 5634442 MYLVIEHSGLPOQS-DHZHZOJOSA-N 294.379 4.181 30 40 CIEB O=C(O/N=C1/CCC/C1=C\c1ccccc1)c1ccccc1 5731353 YLFWHGYQKGQRHV-RRQVPDQSSA-N 291.350 4.467 30 40 CIEB Cc1cccc(/C=N\Nc2cc(C)c3cccc(C)c3n2)n1 17127141 SSSQURRHGORRPP-ODLFYWEKSA-N 290.370 4.001 30 40 CIEB C=CC[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1 72482006 JFHBWYZRTPCWLX-INIZCTEOSA-N 261.365 4.003 30 40 CIEB CC[C@@H](C(=O)c1ccc(C#N)c(F)c1)c1ccccc1 575361874 QCSPFJIMRBWDEN-OAHLLOKOSA-N 267.303 4.074 30 40 CIEB C=C(Cl)CCc1c(F)cc(Br)cc1F 1848444285 ZEUOEDYLABUARE-UHFFFAOYSA-N 281.527 4.412 30 40 CIEB CCCc1sc(-n2c(C)ccc2C)c(C#N)c1C 34125 SSVDIFJTWSJQBN-UHFFFAOYSA-N 258.390 4.288 30 40 CIEB CC[S+](CC)CC(=O)c1ccc(-c2ccccc2)cc1 4777891 NEOUJMLMNUGUIS-UHFFFAOYSA-N 285.432 4.194 30 40 CIEB Cc1ccc(C(=O)/C=C/Nc2cc(F)cc(F)c2)cc1C 44844057 HRCYBKSYCVSWJU-AATRIKPKSA-N 287.309 4.390 30 40 CIEB CC(C)(Cc1ccc(F)cc1)/N=C\c1ccccc1 100429457 HPAANHNPBCGDLR-UYRXBGFRSA-N 255.336 4.266 30 40 CIEB O=C1/C(=C\c2cccc(F)c2)CCCc2ccccc21 1651016 RAZAJNVRLMAZGG-PTNGSMBKSA-N 266.315 4.428 30 40 CIEB CC(C)(C)CC1=CO[C@](C=O)(CC(C)(C)C)CC1 1679600 DCRCRUUDJKPUJK-INIZCTEOSA-N 252.398 4.491 30 40 CIEB CC[C@@H](C)c1ccc(N/C(=N/O)c2ccc(OC)cc2)cc1 4868695 ZAQDORZZXBBJSS-CYBMUJFWSA-N 298.386 4.457 30 40 CIEB O=[N+]([O-])c1ccc(NN=C2CCCCCCC2)cc1 5020815 ASWLIPMUSFRYRP-UHFFFAOYSA-N 261.325 4.107 30 40 CIEB Cc1[nH]c2ccccc2c1/C=N/NCc1ccccc1Cl 8811534 GBHNTYYRCQULLP-RGVLZGJSSA-N 297.789 4.253 30 40 CIEB c1ccc2c(NN=C3CCCCCCC3)nncc2c1 15347184 BXSKROLUJRDJFK-UHFFFAOYSA-N 268.364 4.142 30 40 CIEB C=CC[C@H](C(=O)OC)c1ccc(OCc2ccccc2)cc1 35977649 DDWHUNXNOLEZGV-SFHVURJKSA-N 296.366 4.098 30 40 CIEB C=CCn1c([C@@H](C)N2CCCCCC2)nc2ccccc21 82086977 QSPQPGXYFZYUKS-OAHLLOKOSA-N 283.419 4.159 30 40 CIEB CCCCCCCCCCOCCN1CCCC1 100923487 IBAWURFLZVYYAO-UHFFFAOYSA-N 255.446 4.240 30 40 CIEB CCCCCCCCCCCC(=O)N[C@@H](C(=O)O)C(C)C 103653883 WQHXCNGQDLRDMP-MRXNPFEDSA-N 299.455 4.133 30 40 CIEB CCc1ccc(/N=C2\C=C(O)C(=O)c3ccccc32)cc1 3096113 AERRPULWPIGSEB-KNTRCKAVSA-N 277.323 4.008 30 40 CIEB Cc1ccc(-c2cc(NC3=CC(=O)CC(C)(C)C3)[nH]n2)cc1 4386889 QEGSHOVKBNEJAD-UHFFFAOYSA-N 295.386 4.070 30 40 CIEB C=CCNC(=S)Nc1c(C(C)C)cccc1C(C)C 13841088 KGUWOXSVOVFQPW-UHFFFAOYSA-N 276.449 4.406 30 40 CIEB Cc1cc(O)c(/N=C/c2cc(Cl)ccc2O)cc1C 95482081 XHOFAVZLSDIPGZ-CAOOACKPSA-N 275.735 4.119 30 40 CIEB C=C1c2[nH]c3ccccc3c2[C@@H]2[C@H](CC)[C@@H]1CCN2C 100002737 MFFIRXGJJPPAMA-VFVRVIDISA-N 266.388 4.214 30 40 CIEB C/C(=N\NCc1ccccc1Cl)c1ccc(C)c(C)c1 408710690 VRPGMBDRPKIULW-XSFVSMFZSA-N 286.806 4.471 30 40 CIEB O=C(O)c1ccccc1/C=N/c1cccc2ccccc12 408730197 OMQPRFNEOONNNR-XDHOZWIPSA-N 275.307 4.289 30 40 CIEB C=CCCCCCCCCC(=O)Nc1nccs1 4659185 BMSZXILIYNEXPC-UHFFFAOYSA-N 266.410 4.388 30 40 CIEB Cc1ccc(/C=C2\Sc3ccccc3C2=O)c(O)c1 12561899 QMTDMOPAZUGTOP-DHDCSXOGSA-N 268.337 4.030 30 40 CIEB CCCC[C@@H](CC)[C@H](O)C#Cc1cc(F)ccc1C 95632393 MLSSEAWMEDJYRQ-RHSMWYFYSA-N 262.368 4.063 30 40 CIEB COc1ccc(/C(O)=C\C=N\c2ccccc2C)cc1 100035664 SLAFATAHVVAVGI-JYFOCSDGSA-N 267.328 4.305 30 40 CIEB Cc1ccc(/N=C/c2cc(Cl)ccc2O)cc1C 100037396 MSGZGCKLDSLTHI-RQZCQDPDSA-N 259.736 4.413 30 40 CIEB CCCCCCCCCCCCN(CCC(=O)O)C(C)=O 100921977 CRLQTXVKRNLQFK-UHFFFAOYSA-N 299.455 4.231 30 40 CIEB C=COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103546869 LAFIDLOOPJPAPN-UHFFFAOYSA-N 290.125 4.005 30 40 CIEB C=CCc1cc(CNc2ccccc2C)cc(OCC)c1O 409118044 PWCZJDQKFYXLDC-UHFFFAOYSA-N 297.398 4.440 30 40 CIEB C=CCCCCCCCCC(=O)Nc1ccccn1 2292491 OLOWWSOKJNVING-UHFFFAOYSA-N 260.381 4.327 30 40 CIEB Cc1ccc(C(=O)/C=C/Nc2cccc(C)c2Cl)o1 4680830 LRKKUGJNAXELCI-CMDGGOBGSA-N 275.735 4.358 30 40 CIEB Fc1ccc(N/N=C/c2c(F)cccc2Cl)c(F)c1 4923934 ISPOBQATQXATRN-CNHKJKLMSA-N 284.668 4.203 30 40 CIEB CN(C)c1ccc(/C=C2\Sc3ccccc3C2=O)cc1 12625223 SKGMGVZAQKNZAU-WJDWOHSUSA-N 281.380 4.082 30 40 CIEB N#Cc1c(N)nc2ccc(Cl)cc2c1-c1ccccc1 20412836 UBEKCEMXDFJEDN-UHFFFAOYSA-N 279.730 4.009 30 40 CIEB CC1=C/C(=N\N=c2\sc3ccccc3n2C)CC(C)(C)C1 34890939 WATRVSGKARKCNX-VMTWLGHMSA-N 299.443 4.263 30 40 CIEB COc1ccccc1N/C=C/C(=O)c1ccc(C)c(C)c1 44843882 XKWLQZUBHXOGRV-ZHACJKMWSA-N 281.355 4.121 30 40 CIEB O=C(/C=C/c1nc(-c2ccccc2)cs1)c1cccnc1 70037806 LWZZWZHLIMZPNJ-CMDGGOBGSA-N 292.363 4.101 30 40 CIEB FC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 95681805 DDWZJDVOCYVHKD-UHFFFAOYSA-N 282.052 4.235 30 40 CIEB in-vitro CCCCCCCCCCCC[S@@](=O)CCC(=O)O 100019020 CTLRMORKQMVCKP-IBGZPJMESA-N 290.469 4.131 30 40 CIEB COc1ccc(N/C(C)=C2/Sc3ccccc3C2=O)cc1 100363181 FOLZTCOLJSKDMO-GZTJUZNOSA-N 297.379 4.327 30 40 CIEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)Nc1ccc(F)cc1)C2 100834699 ORPNPOLCSMQLNJ-PXAZEXFGSA-N 273.351 4.147 30 40 CIEB C=CCOc1ccc(CNc2ccccc2CC)cc1OC 409117231 NVSVKRCEMXSENP-UHFFFAOYSA-N 297.398 4.435 30 40 CIEB CCOc1ccc(/C=C/C(=O)SCc2ccco2)cc1 42740 JLPQSUUBCRTSIU-JXMROGBWSA-N 288.368 4.152 30 40 CIEB C[C@H]1CCc2c(sc(/N=C/c3ccco3)c2C#N)C1 411732 HLRPPJLXXRHLFO-VJCPFXPRSA-N 270.357 4.088 30 40 CIEB CC1(C)[C@H](CC#N)C[C@@H]1C(=O)/C=C/c1ccc(Cl)cc1 510386 GZCCKKFHHIHENT-IEOKHJKGSA-N 287.790 4.498 30 40 CIEB N#C[C@@H]1C[C@@H](c2ccccc2)Nc2cc(Cl)ccc2N1 1578799 JUEAFDHIWLJVJJ-ZFWWWQNUSA-N 283.762 4.201 30 40 CIEB Cc1ccc(N/N=C2\Sc3ccccc3C2=O)c(C)c1 2372749 JZGQLCAXCFXPJW-VLGSPTGOSA-N 282.368 4.017 30 40 CIEB COc1ccc2[nH]c(C)c([C@H]3[C@@H](CC#N)C3(C)C)c2c1 4028898 RCNKLBQKNZWORR-CZUORRHYSA-N 268.360 4.138 30 40 CIEB biogenic CCc1cccc(CC)c1/N=C\c1ccccc1O 17023646 FKNXFJSGWVGGRQ-PDGQHHTCSA-N 253.345 4.268 30 40 CIEB Nc1ccc2ccccc2c1/N=C\c1ccccc1[N+](=O)[O-] 104115611 NSOJXGQEOBZSJB-ODLFYWEKSA-N 291.310 4.081 30 40 CIEB CCOC(=O)c1cccc(/N=C\c2cc(C)n(CC)c2C)c1 409095380 HINWNNOXYPXUJG-UNOMPAQXSA-N 298.386 4.052 30 40 CIEB N#Cc1cncc(Oc2ccc(-c3ccccc3)cc2)c1 685937810 SPVDRNMNVXZUAF-UHFFFAOYSA-N 272.307 4.413 30 40 CIEB COc1ccc(/C=N/c2ccc(C#N)cc2)c2ccccc12 95364 SLSSDYPRBLDZOI-FYJGNVAPSA-N 286.334 4.471 30 40 CIEB N#Cc1cccc(CC(=O)c2ccccc2C(F)(F)F)c1 2393060 XSSBWRNQQOHIJK-UHFFFAOYSA-N 289.256 4.002 30 40 CIEB O/N=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 216811648 UQRAAKVNDDGRTG-IUXPMGMMSA-N 296.153 4.381 30 40 CIEB C=CCOc1ccc(NC(=O)c2cc(C)ccc2C)cc1 224871553 KVVGHICUVQNDIG-UHFFFAOYSA-N 281.355 4.121 30 40 CIEB N#CC[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1CC#N 255187877 HHZFNRNRVYFBFT-UVHRUJRTSA-N 284.362 4.337 30 40 CIEB O=C(/C=C/c1cc2ccccc2o1)c1ccccc1O 3898706 UAXZOPMIDQFURM-MDZDMXLPSA-N 264.280 4.035 30 40 CIEB biogenic CCCCCC/C(C)=N/Nc1ccc([N+](=O)[O-])cc1 5018735 YKKADWWFCDUJRH-NTCAYCPXSA-N 263.341 4.353 30 40 CIEB Cc1cc(Cl)cc(/C(CCc2ccccc2)=N/O)c1O 5540127 QLCFBBVSJXUHNO-OBGWFSINSA-N 289.762 4.165 30 40 CIEB Fc1ccc(N/C(S)=N/C2CCCCC2)c(F)c1F 8692204 UNEXWYIUGLEJRX-UHFFFAOYSA-N 288.338 4.134 30 40 CIEB O=C1/C(=C/c2ccccc2Cl)Cc2ccccc21 12368242 IDQSBDUGYFUQFD-JLHYYAGUSA-N 254.716 4.162 30 40 CIEB N#Cc1ccc(-c2ccc(C(F)(F)F)cc2)nc1Cl 43401826 PZBHJLGWQJFWDQ-UHFFFAOYSA-N 282.652 4.292 30 40 CIEB Oc1ccccc1/C=N\c1ccc(Cl)c(Cl)c1 100371724 VWMZWOFWWGXAIA-PXNMLYILSA-N 266.127 4.450 30 40 CIEB C[C@@H](c1ccccc1)N1CCC(C#N)(c2ccccc2)CC1 1888976950 QWQFCPMVGHVFJX-KRWDZBQOSA-N 290.410 4.305 30 40 CIEB CSc1ccccc1CCC(=O)c1cccc(C#N)c1 2516600 HBTIPVLKFYJUMC-UHFFFAOYSA-N 281.380 4.096 30 40 CIEB CCCc1ccc(/C=N/NCc2ccc(Cl)cc2)o1 10119164 TUQJSNBBHZIEQX-WOJGMQOQSA-N 276.767 4.009 30 40 CIEB C/C(=N\NCc1c(Cl)cccc1Cl)c1ccco1 13586079 AUJPIXSUKUCVSH-RQZCQDPDSA-N 283.158 4.100 30 40 CIEB C=C(C)C(=O)c1ccc(Br)cc1C(F)(F)F 86022685 OCBJMDPORHCDNV-UHFFFAOYSA-N 293.082 4.227 30 40 CIEB C#CCOc1ccc(/C=N/c2ccc(C)c(C)c2)cc1 409218638 WSWQDSWYSZPBLG-CPNJWEJPSA-N 263.340 4.066 30 40 CIEB CC[C@@H](C(=O)c1ccc(F)c(C#N)c1)c1ccccc1 575361775 GHQRGYQQVKMPAA-OAHLLOKOSA-N 267.303 4.074 30 40 CIEB C[C@H](CC(=O)c1ccc(C#N)c(F)c1)CC(C)(C)C 575361952 UXVOHBFTKNKKJS-LLVKDONJSA-N 261.340 4.342 30 40 CIEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\O 12657944 XLJMBRPBVDJBPJ-WZKMRYASSA-N 285.387 4.079 30 40 CIEB biogenic Cc1ccc(C(=O)/C=C/c2cnn(-c3ccccc3)c2)cc1 13004117 VVZVGWNHSSGSGC-FMIVXFBMSA-N 288.350 4.077 30 40 CIEB C=CCNc1nc(-c2ccccc2Cl)cs1 14185809 CDNYQOKYDIDXDB-UHFFFAOYSA-N 250.754 4.061 30 40 CIEB C/C(=N\c1ccc(C)cc1)c1cc2ccccc2oc1=O 68601568 QDLBMVAETHBDRI-CPNJWEJPSA-N 277.323 4.242 30 40 CIEB COc1ccc(/C=N/c2ccc(C)cc2C)cc1OC 100393224 JAYWONJSSBJWFF-WOJGMQOQSA-N 269.344 4.071 30 40 CIEB CCCCCCCCCCCC(=O)CCN(C)C 100932684 JXSDMFVJNNFUEX-UHFFFAOYSA-N 255.446 4.428 30 40 CIEB C(=N\c1nccs1)\c1ccc(/C=N\c2nccs2)cc1 104206954 MWMRGTIKTBCZLF-XFQWXJFMSA-N 298.396 4.101 30 40 CIEB C[Si](C)(C)N=C(c1ccccc1)c1ccccc1 169810878 SAUFGTFVJAVCAY-UHFFFAOYSA-N 253.421 4.359 30 40 CIEB COc1cc(C)c(/C=N/c2ccc(F)cc2F)cc1OC 408548033 CDBNMICJKPNRMO-DJKKODMXSA-N 291.297 4.041 30 40 CIEB N#Cc1ccc([C@@H]2Nc3ccccc3[C@@H]3OCCC[C@H]23)cc1 4623704 QHVDONLMIINFHQ-NEWSRXKRSA-N 290.366 4.193 30 40 CIEB CCCCCC[C@@](C)(O)C#Cc1ccc(F)c(F)c1 95631866 BRZMORWDGNTJQW-MRXNPFEDSA-N 266.331 4.038 30 40 CIEB C/C(=N\NCc1ccccc1Cl)c1ccc(C)cc1 408710540 CUQSOWDASVJDDR-CPNJWEJPSA-N 272.779 4.162 30 40 CIEB C/C(=C\C(=O)c1ccc(C)o1)Nc1cccc(C)c1C 409347243 NNPWOXNUKRJTLG-ZRDIBKRKSA-N 269.344 4.403 30 40 CIEB Oc1ccc(/C=N/CC2(c3ccccc3)CCCC2)cc1 186766 NRMSKTPKBQIUGC-XSFVSMFZSA-N 279.383 4.323 30 40 CIEB CCCCCCCCSc1nnc2nc(C)cc(C)n12 3653497 JEJSDRKEHLTGCX-UHFFFAOYSA-N 292.452 4.194 30 40 CIEB Cc1ccc(Sc2nc3c(cc2C#N)CCCC3)cc1 4050299 YCNOSKZMSHWUSL-UHFFFAOYSA-N 280.396 4.292 30 40 CIEB Cc1c(-c2cccc(Cl)c2)oc(N)c(C#N)c1=S 6525898 XJYUMAHRHNXRGK-UHFFFAOYSA-N 276.748 4.092 30 40 CIEB C=C(Cl)CSc1nnc(-c2c[nH]c3ccccc23)o1 11300480 SICACBOZHAUITJ-UHFFFAOYSA-N 291.763 4.063 30 40 CIEB N#Cc1c(Cl)nc2c(c1-c1ccc(Cl)cc1)CCC2 41465317 RYHPWQOYFDSSID-UHFFFAOYSA-N 289.165 4.416 30 40 CIEB Cc1cc(/N=C/c2ccc(N3CCCC3)cc2)ccc1F 408959556 AYLYJHAWXVZYJM-DEDYPNTBSA-N 282.362 4.485 30 40 CIEB Cc1sc(C(=O)Nc2cc3ccccc3o2)c(C#N)c1C 802012 RULDQXBIXJTAMV-UHFFFAOYSA-N 296.351 4.235 30 40 CIEB CCCCCCCCCCCC(=O)OCCN(C)C 72399750 JMLUDYXDXUBOTH-UHFFFAOYSA-N 271.445 4.012 30 40 CIEB OC(/C=N\c1ccccc1)=C/C=C\Nc1ccccc1 100388908 AODMFXLIWQBNQE-ASKZQEAJSA-N 264.328 4.457 30 40 CIEB COc1cc(OC)c(/N=C\c2ccc(F)cc2)cc1Cl 104226111 XBJFQXCRROQJOG-NVMNQCDNSA-N 293.725 4.247 30 40 CIEB CO[C@@](C)(/C(C)=N\O)c1ccc(-c2ccccc2)cc1 104336000 TXUGTWCPYXEPCI-XIDKLXSXSA-N 269.344 4.065 30 40 CIEB Cc1cc(C)c(/C=N/OCc2ccccc2C#N)c(C)c1 408591650 JURPRFFGFBLFHR-RGVLZGJSSA-N 278.355 4.034 30 40 CIEB C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@@]12O 2049238474 ZWQVJUXPAQQVEQ-BRIYLRKRSA-N 288.431 4.023 30 40 CIEB CN(C)CC[C@](C#N)(c1cccs1)C1CCCCC1 1593232 NAMLLARPYQPEOG-MRXNPFEDSA-N 276.449 4.041 30 40 CIEB O=C(/C=C/c1ccc(Cl)s1)c1cccc(F)c1 5249036 HQHCIXIVEMIPLA-GQCTYLIASA-N 266.724 4.437 30 40 CIEB CCc1ccc(C(=O)/C=C/c2ccc(OC)cc2OC)cc1 8322484 OJKVRTVNBKZUBG-ZRDIBKRKSA-N 296.366 4.162 30 40 CIEB Cc1ccc(/N=N\C(=N/Nc2ccc(C)cc2)[N+](=O)[O-])cc1 16927961 LKZGISCSQMBLRH-OAEQQSCFSA-N 297.318 4.047 30 40 CIEB COc1cc(/C=N\c2ccc3ccccc3c2)ccc1O 18086099 CJVZAKFMTFCVPS-UNOMPAQXSA-N 277.323 4.305 30 40 CIEB CCCCCCCCCNC(=O)C(Cl)(Cl)Cl 97941775 ULYPAAILNJSLCW-UHFFFAOYSA-N 288.646 4.223 30 40 CIEB COc1ccc(N/C(C)=C2\Sc3ccccc3C2=O)cc1 100363186 FOLZTCOLJSKDMO-BOPFTXTBSA-N 297.379 4.327 30 40 CIEB COc1ccc2cc(/C=C/C(=O)c3cccnc3)ccc2c1 7739680 NWOWMYZEVKBWKQ-WEVVVXLNSA-N 289.334 4.140 30 40 CIEB N#C[C@@H]1C=CC=CN1/C(=N\c1ccccc1)c1ccccc1 17285470 FWCAZHXBGVHHGU-GRNWLOBZSA-N 285.350 4.043 30 40 CIEB N#CCCCCCOc1cc(Br)ccc1F 95738538 MXHDHNAGXNFKFR-UHFFFAOYSA-N 286.144 4.051 30 40 CIEB C=CCOc1ccc(C(=S)NCc2ccc(C)cc2)cc1 408577873 VDKFNDSXUOSNTG-UHFFFAOYSA-N 297.423 4.025 30 40 CIEB C=CCc1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1OC 408705414 FDIWDVPBMCAZIJ-UHFFFAOYSA-N 295.382 4.293 30 40 CIEB CCSc1nc2c(c(-c3ccco3)c1C#N)CCCC2 497239 IZVQNLQLFSCTCQ-UHFFFAOYSA-N 284.384 4.204 30 40 CIEB Cc1cccc(N/N=C(/S)Nc2c(C)cccc2C)c1 3256749 HJTADSADMRKBSF-UHFFFAOYSA-N 285.416 4.337 30 40 CIEB Clc1cccc(/C=N/NCc2ccccc2Cl)c1 8811482 RDTYKHQQPTYALE-RQZCQDPDSA-N 279.170 4.117 30 40 CIEB CC/C(=C\C(=O)c1cccnc1)Nc1ccc(C)c(C)c1 100747603 WCLWEBKXEWGUNV-LFIBNONCSA-N 280.371 4.287 30 40 CIEB CCCCCCCCCCCCC(C(=O)O)C(=O)O 104395510 RZUDZAJRBFRQLS-UHFFFAOYSA-N 272.385 4.083 30 40 CIEB CC(C)(COC(F)(F)[C@@H](F)C(F)(F)F)C(F)(F)F 1083806310 HOGFVVUTELNGRT-BYPYZUCNSA-N 292.141 4.085 30 40 CIEB CC(/C=C/c1ccccc1)=N\Nc1ccccc1[N+](=O)[O-] 4600310 IOXVSYFXFZFEHV-AETJLUGGSA-N 281.315 4.096 30 40 CIEB C/[S+]=c1/cc(-c2ccc(Cl)cc2)ss1 5327799 DGYVRGHHMNGXKB-UHFFFAOYSA-N 259.828 4.374 30 40 CIEB CCC[C@@H](C)/N=C(\S)Nc1cc(C)cc(C)c1 13684230 HISULPMDKAGBEQ-GFCCVEGCSA-N 250.411 4.190 30 40 CIEB CN/C(=N\c1ccccc1Cl)c1ccc(Cl)cc1 22632887 OJEVAUZMEKVYAK-UHFFFAOYSA-N 279.170 4.291 30 40 CIEB CCCCCCCCC#CC#Cc1cccc(C(=O)O)c1 98005229 XWFNJAKOIGKFPQ-UHFFFAOYSA-N 282.383 4.490 30 40 CIEB CCOc1cccc(/C=N/c2ccc(CC)cc2)c1O 572217 FQLRIXPDWFSASF-LDADJPATSA-N 269.344 4.104 30 40 CIEB CCc1nc2ccccc2n1/N=C/c1c(C)cc(C)cc1C 17688369 QXGKYDPPNLZDRE-UDWIEESQSA-N 291.398 4.406 30 40 CIEB O=C1/C(=C2/Sc3ccccc3C2=O)Sc2ccccc21 31297634 JOUDBUYBGJYFFP-NXVVXOECSA-N 296.372 4.175 30 40 CIEB Cc1nc(N)c(C#N)c(-c2ccccc2)c1-c1ccccc1 31771990 QPQPGCWBRDAELX-UHFFFAOYSA-N 285.350 4.178 30 40 CIEB CCCCCCCCCCC(=O)CCCC(=O)O 71418188 RNMOYYIVANEQIG-UHFFFAOYSA-N 256.386 4.341 30 40 CIEB biogenic,in-vitro Cc1cc2c(cc1/C=N/O)[C@@H](C)CC(C)(C)N2C(C)C 223594575 QMNCTGQRPDDTPB-SGPNVBEDSA-N 274.408 4.304 30 40 CIEB COc1ccc(Oc2nc3c(C)cccc3cc2C#N)cc1 421808 LMMVXAAIPDZZPD-UHFFFAOYSA-N 290.322 4.216 30 40 CIEB CN/C(=N/c1ccccc1C(C)C)c1ccccc1 35731353 NGQOYMGQFOAFKE-UHFFFAOYSA-N 252.361 4.108 30 40 CIEB CCc1ccc(C(=O)/C=C\Nc2ccc(C(C)=O)cc2)cc1 100975142 PKXHGBRUNKWXGT-SEYXRHQNSA-N 293.366 4.260 30 40 CIEB C=CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1 8073546 ALQXEWUICQICMN-UHFFFAOYSA-N 281.355 4.121 30 40 CIEB CSc1ccc(/C=C2/Cc3ccccc3C2=O)cc1 12368661 PXPPCDWTJHAURJ-UVTDQMKNSA-N 266.365 4.231 30 40 CIEB C/C(=C\C(=O)c1ccc(Cl)cc1)NCc1ccccc1 32100570 JTSVZLNMKXJVTE-ACCUITESSA-N 285.774 4.216 30 40 CIEB N#Cc1ccc(-c2ccc(Br)cc2Cl)o1 73638310 DDPPVZJMJIJIHN-UHFFFAOYSA-N 282.524 4.234 30 40 CIEB CCCCCCCCCCCn1ccc([N+](=O)[O-])n1 100412123 IFYMSIUDPQPDGX-UHFFFAOYSA-N 267.373 4.322 30 40 CIEB CC1(C)CCC(=O)c2cc(C#C[Si](C)(C)C)ccc21 195880442 XYEPDUHJZLLQCJ-UHFFFAOYSA-N 270.448 4.170 30 40 CIEB O=C(/C=C/Nc1ccc(O)cc1)c1cccc2ccccc12 409179229 OAIABIAEKRMIIH-OUKQBFOZSA-N 289.334 4.354 30 40 CIEB Cc1ccc(C)c(/N=C/c2ccc([N+](=O)[O-])s2)c1 65929 OGBLXSUDVCQVLP-RIYZIHGNSA-N 260.318 4.024 30 40 CIEB N#Cc1c(/C=C/c2ccccc2)c2c([nH]c1=S)CCC2 340073 MJRLYXVNQIIENH-MDZDMXLPSA-N 278.380 4.275 30 40 CIEB Cc1cc(C)c(C#N)c(SCc2ccccc2C)n1 497164 KTAHBYILCJLFMP-UHFFFAOYSA-N 268.385 4.171 30 40 CIEB Cc1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1C#N 2623572 YQNZBTDNPOQFGF-UHFFFAOYSA-N 288.690 4.221 30 40 CIEB CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 8322483 WRBHZKLIQPKYIB-YRNVUSSQSA-N 296.366 4.162 30 40 CIEB CCCCCCC(=O)/C=C\c1cc(OC)ccc1OC 17106085 UQOYEFDBQOCEAB-KTKRTIGZSA-N 276.376 4.257 30 40 CIEB CCCCCCC(=O)/C=C\c1cccc(OC)c1OC 17123693 SVEFOUOTJXTDBZ-SEYXRHQNSA-N 276.376 4.257 30 40 CIEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)Nc1ccccc1F)C2 100261847 DRANHXWAADSRNU-PXAZEXFGSA-N 273.351 4.147 30 40 CIEB N#Cc1cnccc1Oc1ccc(-c2ccccc2)cc1 399435428 MSQJYSJHNHJAIU-UHFFFAOYSA-N 272.307 4.413 30 40 CIEB COc1ccc(-n2cccc2/C=N/c2cccc(F)c2)cc1 408846431 KPFDHVCDTKXBNB-DEDYPNTBSA-N 294.329 4.376 30 40 CIEB C=CCc1cc(CNc2ccc(C)cc2)cc(OC)c1OC 409120872 WRLWHTFFDPVHCD-UHFFFAOYSA-N 297.398 4.353 30 40 CIEB C(=N/c1ccccc1-c1nc2ccccc2[nH]1)\c1cccnc1 504088 QGKZYNRSNNQJKA-FYJGNVAPSA-N 298.349 4.376 30 40 CIEB CCCOC(=O)c1ccc(/N=C/c2ccc(C)s2)cc1 5431137 ASRNRLKYFLNKMX-GZTJUZNOSA-N 287.384 4.374 30 40 CIEB CC(=O)[C@@H]1CC=C2[C@H]3CCC4=CC(=O)C[C@@]4(C)[C@@H]3CC[C@]21C 8617484 HXWUFSAWLIMZRZ-LWASTNQWSA-N 298.426 4.254 30 40 CIEB Cc1ccc(/N=C\c2ccc(Cl)s2)cc1[N+](=O)[O-] 408964427 CFYVKNNPMUZIJO-AUWJEWJLSA-N 280.736 4.369 30 40 CIEB CSc1ccccc1CCC(=O)c1ccc(C#N)cc1 2516601 YFWMEYWHTLUEAM-UHFFFAOYSA-N 281.380 4.096 30 40 CIEB C=C(Br)CCc1cccc(Br)c1 2567454 LCASVCVXQDBMGE-UHFFFAOYSA-N 289.998 4.290 30 40 CIEB CO[C@H](C)c1ccccc1/C(C)=C1\Nc2ccccc2C1=O 17003424 SUZMIJDQPFEGDE-FDIDITGRSA-N 293.366 4.433 30 40 CIEB CC(=O)c1cccc(/N=C/c2cccn2-c2ccccc2)c1 59678359 YMXULSQNNZUWHV-XSFVSMFZSA-N 288.350 4.431 30 40 CIEB C=CC[C@]1(C)C(C)=[N+](C)c2ccc3ccccc3c21 66348388 DYIAXUNTSPZYHY-GOSISDBHSA-N 250.365 4.422 30 40 CIEB C=CCc1cc(CNc2cccc(C)c2)cc(OC)c1O 76274761 KZMJHZXDQCPUHW-UHFFFAOYSA-N 283.371 4.050 30 40 CIEB N#Cc1ccc([C@@H]2Nc3ccccc3[C@@H]3OCCC[C@@H]23)cc1 4623700 QHVDONLMIINFHQ-WDSOQIARSA-N 290.366 4.193 30 40 CIEB CC(/N=N/c1ccccc1[N+](=O)[O-])=N\Nc1ccccc1 5124950 XVNRFTXLVLVTBB-VJYQPPNCSA-N 283.291 4.124 30 40 CIEB CCc1cccc(C)c1N/C(C)=C/C(=O)c1cccnc1 32100656 RHOQYYLPAILVSG-SDNWHVSQSA-N 280.371 4.151 30 40 CIEB O/N=C1/[C@H]2CC[C@H](C2)[C@@H]1Sc1ccc(Cl)cc1 100965188 JFMGSPOADGNJTJ-PZOVHJICSA-N 267.781 4.061 30 40 CIEB CCCCCCCCCCCCNC(=O)[C@H]1CCCO1 102064200 YZWLJRSMOMAJPI-MRXNPFEDSA-N 283.456 4.203 30 40 CIEB CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525201 MDZDBKLCYXUTQA-UHFFFAOYSA-N 262.115 4.255 30 40 CIEB COc1ccc(/N=C\c2ccc(N3CCCC3)c(F)c2)cc1 409102161 CVJBTDZBMJJEGR-MOSHPQCFSA-N 298.361 4.185 30 40 CIEB CCC(=O)Nc1ccc(/N=C/C=C/c2ccccc2)cc1 2049781 OZOSGNQMBDVCDG-NIVQLRFDSA-N 278.355 4.451 30 40 CIEB C=C[C@@](C)(O)C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)O 3902347 HTYVNKCNBDAITQ-SIZVQLJJSA-N 294.479 4.307 30 40 CIEB Cc1ccc(/C=C/C(=O)c2ccc(OC(F)F)cc2)cc1 4077365 PSSVYBZLUWFXCV-IZZDOVSWSA-N 288.293 4.493 30 40 CIEB CSC(=NC(=O)c1c(Cl)cccc1Cl)SC 4277578 RCSXFKBBHSQYID-UHFFFAOYSA-N 294.228 4.216 30 40 CIEB O=C(/C=C/c1ccccc1)CCC(=O)/C=C/c1ccccc1 20508554 WHVCHWVFELJJCG-PHEQNACWSA-N 290.362 4.332 30 40 CIEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC/C2=N\O 105365231 XLJMBRPBVDJBPJ-XYEZQPMFSA-N 285.387 4.079 30 40 CIEB biogenic CC(C)Oc1nc(-c2ccccc2Cl)ccc1C#N 4050054 FYUQFFFGVHIYLH-UHFFFAOYSA-N 272.735 4.061 30 40 CIEB Cc1ccc(N/N=C/c2c(C)[nH]c3ccccc23)cc1 4576815 JMVBTSWVNYSKAE-WOJGMQOQSA-N 263.344 4.231 30 40 CIEB Cc1ccc(C(=O)/C=C/Nc2ccc(F)c(C)c2)cc1 6204227 KVLAMIRKWVHEQB-MDZDMXLPSA-N 269.319 4.251 30 40 CIEB CCc1ccc(C(=O)/C=C/c2cccc(C#N)c2)cc1 12733748 CGOZMWZCQVLVER-DHZHZOJOSA-N 261.324 4.017 30 40 CIEB C=CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1 14034740 AFKSXBIZJGXFRD-UHFFFAOYSA-N 281.355 4.121 30 40 CIEB CCCCc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1 35585994 PTLGGSIZYDQQDX-CPNJWEJPSA-N 281.355 4.478 30 40 CIEB C=CC[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1 38294775 JFHBWYZRTPCWLX-MRXNPFEDSA-N 261.365 4.003 30 40 CIEB Cc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2O)cc1Cl 83296524 XQVRXBHMHAZMFN-PXNMLYILSA-N 290.706 4.013 30 40 CIEB C#Cc1cccc(OCc2cccc(Br)c2)c1 199730746 WOQWBWCZUMMOKT-UHFFFAOYSA-N 287.156 4.009 30 40 CIEB Cc1ccc([C@H]2O[C@@]23CCCc2ccccc2C3=O)cc1 163833 YGWPGDCQINZONS-RTBURBONSA-N 278.351 4.024 30 40 CIEB C=CCn1c(C)c(/C=C/c2cccc[n+]2C)c2ccccc21 4932983 QDZQRHFXERDOPB-UHFFFAOYSA-N 289.402 4.131 30 40 CIEB N#CCSc1nc(-c2ccccc2)nc2ccc(F)cc12 5007355 YMFYIZFDMQXHNY-UHFFFAOYSA-N 295.342 4.052 30 40 CIEB CCCCCCCCCC(=O)Nc1nnc(CC)s1 8453325 SYLUAMNFJPVNRN-UHFFFAOYSA-N 283.441 4.180 30 40 CIEB Cc1nc(N)c(C#N)c(-c2ccc(Cl)cc2Cl)c1C 20332762 DAUGOLCNDZVJJN-UHFFFAOYSA-N 292.169 4.126 30 40 CIEB C=CCNC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C 24842804 OTLKYPZMAWIIJR-UHFFFAOYSA-N 296.414 4.133 30 40 CIEB CCSC1=CC(=O)C[C@H](c2ccc(C)cc2)S1 26897072 QOJXNHRKJJKSRE-CYBMUJFWSA-N 264.415 4.337 30 40 CIEB CCn1c(C)cc(/C=N\c2cc(C)ccc2C)c1C 409073310 GVDKBEXRMUXPET-WQRHYEAKSA-N 254.377 4.492 30 40 CIEB CCCCCCC[C@@H]1CC(=O)C=C(C)[C@@H]1C(=O)OCC 17574405 YCUJKPOBGRFMCA-ZBFHGGJFSA-N 280.408 4.062 30 40 CIEB C[C@H](c1cc2ccccc2o1)N(C)Cc1ccc(C#N)cc1 32754437 CTHAHTAEROWAJX-CQSZACIVSA-N 290.366 4.497 30 40 CIEB Cc1cc2c(cc1/C=C1\Sc3ccccc3C1=O)OCO2 34794584 DMIUQMMBTDHAIR-PXNMLYILSA-N 296.347 4.053 30 40 CIEB CCCCCCCCCCCCOC(=N)N(C)C 104355306 DZQWBNAECKUDGV-UHFFFAOYSA-N 256.434 4.420 30 40 CIEB CC(C)N(CCC#N)C(=S)Nc1cccc2ccccc12 5732518 NDYHGSNIWQJCDJ-UHFFFAOYSA-N 297.427 4.161 30 40 CIEB CC(=O)/C(=C\c1ccc(Cl)cc1)C(=O)c1ccccc1 8653232 CJMPRSJVBRJNPI-LFIBNONCSA-N 284.742 4.195 30 40 CIEB CCn1c(/C=N/c2ccc(Cl)cc2)nc2ccccc21 13756964 LMRXQTZRTBOUCL-WOJGMQOQSA-N 283.762 4.460 30 40 CIEB C#CCOc1ccccc1CNc1ccc(F)c(Cl)c1 20310622 CLKGYNALOZVOKA-UHFFFAOYSA-N 289.737 4.103 30 40 CIEB N#Cc1sc(-c2ccc(Cl)cc2Cl)cc1N 44273404 DLDZKUXTTPJUBV-UHFFFAOYSA-N 269.156 4.176 30 40 CIEB C[C@@H]1CCc2c(-c3ccccc3)nc(S)c(C#N)c2C1 95117583 PWFNRKIHHAYNQY-LLVKDONJSA-N 280.396 4.034 30 40 CIEB Cc1ccc(C(=O)/C=C\Nc2cccc(Cl)c2)cc1 100967712 HXDPFVBTXKQANE-KTKRTIGZSA-N 271.747 4.457 30 40 CIEB CCCCCCC[S@](=O)c1nc2ccccc2s1 104156838 YFRAFLJNMZZPMA-GOSISDBHSA-N 281.446 4.374 30 40 CIEB COc1cccc(/C=N\c2ccccc2F)c1OC(C)C 409012104 JBYFVKVBCUZYHM-ODLFYWEKSA-N 287.334 4.372 30 40 CIEB C=C(Br)CCc1ccccc1OC(F)(F)F 1848444280 VXCAEUTXYLUVGB-UHFFFAOYSA-N 295.098 4.426 30 40 CIEB N#Cc1cc2c(nc1SCc1ccccc1)CCCC2 75838 RQDGRTPDSIYUKE-UHFFFAOYSA-N 280.396 4.124 30 40 CIEB aggregator CC(=O)Nc1ccc(/N=C/c2c(C)cc(C)cc2C)cc1 357160 JWCBLIGKDDEXDW-YBFXNURJSA-N 280.371 4.321 30 40 CIEB C#CC(C)(C)Nc1c2ccccc2nc2ccccc12 5713289 KNWNOEKYUXDHNO-UHFFFAOYSA-N 260.340 4.212 30 40 CIEB Cc1ccc2nc(SCc3cccc(C#N)c3)[nH]c2c1 9191784 XFUAHZJBTGCNAB-UHFFFAOYSA-N 279.368 4.035 30 40 CIEB Cc1ccsc1/C=C1\CCc2ccccc2C1=O 32265875 OYQFLMJAFRQFBO-JLHYYAGUSA-N 254.354 4.269 30 40 CIEB CSc1cccc(NC(=S)Nc2ccc(C#N)cc2)c1 71761310 GAJIRXZNAMGUPH-UHFFFAOYSA-N 299.424 4.089 30 40 CIEB Cc1cc(N2CCCC2)c(F)cc1/C=N\c1cccc(O)c1 109389101 QPYHURPNRAHOCG-NDENLUEZSA-N 298.361 4.191 30 40 CIEB Cn1cccc1/C=N/c1ccc(-c2ccccc2)cc1 409093994 CJEMCFGBNNMSSB-XMHGGMMESA-N 260.340 4.443 30 40 CIEB CC(C)(C)C#CSc1c(F)c(F)c(F)c(F)c1F 5379469 MLTMUZDGNCAOIS-UHFFFAOYSA-N 280.261 4.481 30 40 CIEB Cc1cccc2c1N=C(O)/C2=N\Nc1ccc(Cl)cc1 7892972 QLGSTPDZDLRZER-UHFFFAOYSA-N 285.734 4.066 30 40 CIEB C[C@H](NCc1cccc(C#N)c1)c1ccc(Cl)s1 27221731 ZVMJKZKLYAPNTE-JTQLQIEISA-N 276.792 4.124 30 40 CIEB O=C(/C=C/c1csc([N+](=O)[O-])c1)c1cccc(Cl)c1 48578962 WJOBZZBFWDEDSM-SNAWJCMRSA-N 293.731 4.206 30 40 CIEB CCCCCCCCCCCCNC(=S)NC 103785694 SPDAWXYKSXNSMH-UHFFFAOYSA-N 258.475 4.001 30 40 CIEB CCCCCCCCc1c(C)nc(SC)nc1O 106190261 IMSLAVMJINJFMA-UHFFFAOYSA-N 268.426 4.116 30 40 CIEB CCc1ccc(C(=O)/C=C/c2ccccc2OC)cc1 32114438 DHUVSGCFKKSIAO-OUKQBFOZSA-N 266.340 4.154 30 40 CIEB CC[C@H](C)C[C@@](C)(O)C#Cc1cc(C)c(C)cc1C 95633860 YLMYJLWOPIAVIE-UGSOOPFHSA-N 258.405 4.151 30 40 CIEB C=CCCOc1c(C)cc(Br)cc1C 308454245 IULXNHPCBQUGMA-UHFFFAOYSA-N 255.155 4.021 30 40 CIEB C=CCc1ccccc1N[C@@H](C(=O)OCC)c1ccccc1 344480 NOTVTHQVSUDTPD-GOSISDBHSA-N 295.382 4.131 30 40 CIEB C=C(C)CNC(=S)Nc1ccccc1[C@H](C)CC 6224271 PZPNBXSRYSTPAG-GFCCVEGCSA-N 262.422 4.063 30 40 CIEB CSc1ccccc1N/C(S)=N/C1CCCCC1 13684950 OMGWTYQQOSNJHG-UHFFFAOYSA-N 280.462 4.439 30 40 CIEB Oc1ccc(/C(=N/c2ccccc2)c2ccccc2)c(O)c1 17313295 KRMPJSOYDZSBAC-FMQUCBEESA-N 289.334 4.267 30 40 CIEB CCCn1c(/N=C(\O)c2ccccc2)nc2ccccc21 38140717 QOCOJJFPPCDSEM-UHFFFAOYSA-N 279.343 4.083 30 40 CIEB C#Cc1cccc(/N=C\c2cc(Cl)cc(C)c2O)c1 104222547 UDDLQWZLZVOSHE-ZDLGFXPLSA-N 269.731 4.086 30 40 CIEB C=CCSc1snnc1-c1ccc(Cl)cc1 3118895 PBWGEPIFKHVLLF-UHFFFAOYSA-N 268.794 4.137 30 40 CIEB CCCCCCCCCC(=O)Nc1ccccc1C(=O)O 3153371 QSYCFTXFKWQPER-UHFFFAOYSA-N 291.391 4.464 30 40 CIEB biogenic C=CCN(CC=C)Cc1ccc(OCc2ccccc2)cc1 4548647 LNOLOJBXSGUTLB-UHFFFAOYSA-N 293.410 4.440 30 40 CIEB C=C[C@](C)(O)C[C@@H]1[C@@](C)(O)CC[C@H]2C(C)(C)CCC[C@@]21C 12296959 HTYVNKCNBDAITQ-FQQAFBJJSA-N 294.479 4.307 30 40 CIEB biogenic Clc1ccc(/C=N\N2CCCCCC2)cc1Cl 31659104 OYPOPVRYUZVANY-YBEGLDIGSA-N 271.191 4.203 30 40 CIEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)Nc1ccccc1C)C2 100867502 FTNDJLKFMKGSKT-KDOFPFPSSA-N 269.388 4.316 30 40 CIEB CCCCCCCC(=O)Nc1ccc(/C(C)=N/O)cc1 102008807 ZCOKBRDETLWOQX-QGOAFFKASA-N 276.380 4.184 30 40 CIEB CC1=C(c2ccccc2)[C@@H](c2ccccc2)[C@@H](C)C1=O 1757671 FPMNYEMWMGKIKG-CXAGYDPISA-N 262.352 4.463 30 40 CIEB N#C[C@H](c1ccccc1Cl)N1CCc2sccc2C1 22054837 JFDVAYOTONCKQN-CQSZACIVSA-N 288.803 4.024 30 40 CIEB in-vitro CC[C@@H]1/C(=N/O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1 103557644 KELKCHCDSYUMCO-YGFWYALHSA-N 294.398 4.319 30 40 CIEB CCCCCCCCCCCC(=O)NC[C@H]1CCCO1 108683769 UFVJAULSMBCAEQ-MRXNPFEDSA-N 283.456 4.203 30 40 CIEB CCOc1cccc(/C=N\c2cc(C)ccc2C)c1 409215208 YOOFRNXXVXPYKO-PDGQHHTCSA-N 253.345 4.453 30 40 CIEB CCc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 4280221 BQWMTYNPYVGSAJ-KPKJPENVSA-N 254.304 4.284 30 40 CIEB O/N=C(/CCc1ccccc1Cl)c1ccccc1 17146991 YZPIPADRCRNDHF-ICFOKQHNSA-N 259.736 4.151 30 40 CIEB Clc1ccccc1N/N=C\c1ccnc2ccccc12 33547911 GIYHQSWSABAXJZ-ODLFYWEKSA-N 281.746 4.334 30 40 CIEB CO[C@@H](C)c1cccc(NCC(C)(C)CCC#N)c1 95428981 NIMZNAAWLWXIKG-ZDUSSCGKSA-N 260.381 4.136 30 40 CIEB C/C(=N/O)c1ccc(/N=N\c2ccc(N(C)C)cc2)cc1 104364309 PAYHQBXWKKHYKV-UUPRNIFOSA-N 282.347 4.366 30 40 CIEB C=CCOc1ccc(CNCCCCCC)cc1OCC 6427142 JUIPSVZTDORBAY-UHFFFAOYSA-N 291.435 4.320 30 40 CIEB C#CCOc1ccc(/C=N/c2ccc(OC)cc2)cc1Cl 8116538 RAKVACFGTFGLNP-XDHOZWIPSA-N 299.757 4.111 30 40 CIEB O=C(/C=C\C=C\c1ccccc1)c1ccc(F)cc1 33376384 WRVMWLUMYZPQIR-HXGSSHHBSA-N 252.288 4.278 30 40 CIEB C[C@@H]1CCC/C(=C/Nc2cccc(C(F)(F)F)c2)C1=O 101526164 NPTWWLPYZPDBOX-QLWWJYNRSA-N 283.293 4.390 30 40 CIEB C=CC[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195954388 GBZCKOGPPJHWRX-UHFFFAOYSA-N 280.487 4.236 30 40 CIEB CC(C)c1cc(/C=N\Nc2ccccn2)cc(C(C)C)c1O 408853849 YGYJIWPXMVSVEQ-JAIQZWGSSA-N 297.402 4.480 30 40 CIEB C=C(Cl)CCc1ccccc1OC(F)(F)F 1848444276 UBQFLNHSEJUPHR-UHFFFAOYSA-N 250.647 4.270 30 40 CIEB CCN(CC)c1ccc(/N=C/c2cccs2)cc1 46374 ULIOLPSIMGSDQA-FOWTUZBSSA-N 258.390 4.345 30 40 CIEB CCOc1ccc(/C=N/c2ccc(NC(=O)CC)cc2)cc1 361235 KMGDKGFFGGQJFG-CPNJWEJPSA-N 296.370 4.184 30 40 CIEB [N-]=[N+]=Nc1ncnc2c1sc(=S)n2-c1ccccc1 16958214 WTYLMBWFTMMHLP-UHFFFAOYSA-N 286.345 4.153 30 40 CIEB CC(=N/N(C)c1ccccc1)/C(C)=N/N(C)c1ccccc1 17427514 GAZUJKJJBRIPLV-VBGLAJCLSA-N 294.402 4.011 30 40 CIEB C=CC[C@@H]1Cc2c(Br)cccc2[C@@H](CC=C)N1 20161165 VKQGKOSWTAPJPJ-IAQYHMDHSA-N 292.220 4.157 30 40 CIEB CCCCCCCCCCCCN1CCC[C@@H](O)C1 36351365 QXVKGKUPQPASMQ-QGZVFWFLSA-N 269.473 4.364 30 40 CIEB CCCCS[C@@](C)(C/C(=N/O)C1CC1)C1CC1 40166294 WPNOODHTUMBAPP-RHIYTYFCSA-N 255.427 4.319 30 40 CIEB N#CCc1nc2cc(C(F)(F)F)c(Cl)cc2s1 43828188 YLGFBDFUSRCUQH-UHFFFAOYSA-N 276.670 4.035 30 40 CIEB CC[C@H](C)C[C@@](C)(O)C#Cc1ccc(Cl)cc1C 95633410 YTERWNQETMVFDX-LRDDRELGSA-N 264.796 4.187 30 40 CIEB C#Cc1cccc(N(C)Cc2csc(-c3ccoc3)n2)c1 108372566 KIOOEJRNYJOIFT-UHFFFAOYSA-N 294.379 4.021 30 40 CIEB CCCCOCCCC(F)(F)C(F)(F)C(F)(F)F 1565659649 YESFGEIDEKESRK-UHFFFAOYSA-N 284.215 4.416 30 40 CIEB Cc1ccc(NC2=CC(=O)C[C@@H](c3ccco3)C2)cc1 4599767 ZAYDBYVDZJLMHT-ZDUSSCGKSA-N 267.328 4.031 30 40 CIEB O=C(Cc1ccccc1)C1=C[C@@H]2Cc3ccccc3[C@H]2C=C1 5871949 CASFQXBBJUEWGA-ICSRJNTNSA-N 286.374 4.251 30 40 CIEB CC(=O)/C=C\c1cn(Cc2ccccc2)c2ccccc12 33374020 CETLWDZPWCZVAP-QXMHVHEDSA-N 275.351 4.292 30 40 CIEB N#Cc1ccc(OCc2ccccc2Cl)c(Cl)c1 33619284 GFAASVYTVNANSP-UHFFFAOYSA-N 278.138 4.444 30 40 CIEB N#Cc1cc2c(cc1C#N)Oc1ccc3ccccc3c1N=C2 78547563 TYTNRDZSAYOVOP-UHFFFAOYSA-N 295.301 4.439 30 40 CIEB Clc1ccc(/N=C/c2ccc3c(c2)OCO3)c(Cl)c1 95857857 LXWLMUHIUOLHJN-REZTVBANSA-N 294.137 4.473 30 40 CIEB CN(C)c1ccc(/N=C\c2cccn2-c2ccccc2)cc1 408844771 DADOSOILUXNCBZ-HKWRFOASSA-N 289.382 4.294 30 40 CIEB O=C(/C=C/Nc1ccc(Cl)c(Cl)c1)c1ccco1 409177337 DUANDJCKQLGYCR-AATRIKPKSA-N 282.126 4.395 30 40 CIEB S=C(NN=C1CCCCCC1)Nc1ccc(Cl)cc1 549016 CYWMDFAMEJLWPW-UHFFFAOYSA-N 295.839 4.337 30 40 CIEB C=CC(=O)Oc1ccccc1/C=C/C(=O)CCCCCC 1575887 MLFSHTDLYYKVSC-BUHFOSPRSA-N 286.371 4.331 30 40 CIEB C(=C/c1ccccc1)\C=N\N=C\C=C\c1ccccc1 1587659 MIBXLDBZXACZIE-MKXOLOGGSA-N 260.340 4.470 30 40 CIEB in-vitro C=C[C@]1(c2ccc3ccccc3c2)OC[C@H](CC)O1 1644409 TYNMRKHQEUSCGK-IRXDYDNUSA-N 254.329 4.004 30 40 CIEB CCCCCCCCCCCC1=N[C@@](CC)(CO)CO1 1759108 VBFBQEURBQANIX-KRWDZBQOSA-N 283.456 4.477 30 40 CIEB C=CCN1CCCC[C@H]1c1ccc(Br)cc1 2527218 HYWNXELTZSYGLP-AWEZNQCLSA-N 280.209 4.162 30 40 CIEB COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1 6340592 MTCGOZDZKDCTTP-CMDGGOBGSA-N 272.731 4.245 30 40 CIEB Cc1ccc(C(=O)/C=C2\N(C)c3ccccc3C2(C)C)cc1 32559985 TWJWOJMRPVNDGU-UYRXBGFRSA-N 291.394 4.489 30 40 CIEB COc1ccccc1N/N=C\c1c(O)ccc2ccccc12 33246980 MGJCCZUBONDLBJ-UNOMPAQXSA-N 292.338 4.000 30 40 CIEB N#Cc1c(Cl)nc2c(c1-c1ccccc1F)CCCC2 41463310 GJVIVQUQRPGAFN-UHFFFAOYSA-N 286.737 4.292 30 40 CIEB N#CC1(c2cccc3ccc(Br)cc23)CC1 261203536 DXMDJFYDXLXKNM-UHFFFAOYSA-N 272.145 4.157 30 40 CIEB Clc1ccccc1/C=N\N=C\c1ccccc1Cl 4582467 WQRRWZFEJAGOIY-BUOZRGFLSA-N 277.154 4.446 30 40 CIEB COC(=O)c1scc(-c2ccccc2)c1N=[N+]=[N-] 72333113 HZXMVWLNICIZAU-UHFFFAOYSA-N 259.290 4.144 30 40 CIEB COc1ccc(/N=C/c2cc(C)c(O)c(C)c2)cc1Cl 105954353 YNHLQHMPCAPJHI-GIJQJNRQSA-N 289.762 4.422 30 40 CIEB Cc1ccc(/C=C2\CC/C(=C(/O)C(F)(F)F)C2=O)cc1 107962765 OWHYGXBHBMJBDP-FENWIEIGSA-N 282.261 4.116 30 40 CIEB COc1ccc(C)cc1N/C=C/C(=O)c1ccc(C)cc1 409066130 HGOMYKHRIPDFCA-ZHACJKMWSA-N 281.355 4.121 30 40 CIEB C=CCc1cccc(/C=N/c2ccc3nc(C)[nH]c3c2)c1O 3150656 VOVWFTCEEHESHA-YBFXNURJSA-N 291.354 4.056 30 40 CIEB CCCOc1ccc(C(=O)/C=C/c2ccccc2)cc1 4539020 HGYIQTODKIRAKV-MDWZMJQESA-N 266.340 4.372 30 40 CIEB C=CCn1c(COc2cc(C)ccc2C)nc2ccccc21 6753155 AAVMTBITQXVGMQ-UHFFFAOYSA-N 292.382 4.418 30 40 CIEB C#CCOc1ccccc1/C=N/c1ccc(CC)cc1 8085064 NLTBVKNUIMBLDW-XMHGGMMESA-N 263.340 4.012 30 40 CIEB CC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccccc1 19228596 LOLCMVVLVVXJSJ-YJBOKZPZSA-N 296.391 4.093 30 40 CIEB COc1ccc(/C=N/Nc2nc3ccc(C)cc3s2)cc1 27525746 VBZOHKGSGLJOKG-LICLKQGHSA-N 297.383 4.059 30 40 CIEB CCOc1ccccc1/C=C/C(=O)c1ccc(F)cc1 32118065 WCLPHPVQDUDMMS-FMIVXFBMSA-N 270.303 4.121 30 40 CIEB N#C[C@]1(c2ccccc2)CCC[C@]1(C#N)c1ccccc1 1707488 ITCMDGNDFRRZFI-OALUTQOASA-N 272.351 4.093 30 40 CIEB C#CCOc1ccccc1CNc1cc(Cl)ccc1C 21517098 ZBKMMVKHRBJDDT-UHFFFAOYSA-N 285.774 4.273 30 40 CIEB O=C1/C(=C/c2cccc(Cl)c2)CCc2cc(O)ccc21 58162199 PBGJHHLJUVMPIO-MDWZMJQESA-N 284.742 4.258 30 40 CIEB CCCCCC[C@](C)(O)C#Cc1ccccc1CC 95632136 PZWTYUUJPDOBHQ-SFHVURJKSA-N 258.405 4.322 30 40 CIEB CCCCCCCNCc1cc(Cl)c(OC)c(OC)c1 102566566 KHJAJUSNYOZFOV-UHFFFAOYSA-N 299.842 4.417 30 40 CIEB ON=C1c2cc(Cl)ccc2-c2ccc(Cl)cc21 1580930 QBEGYWPUWWKWOB-UHFFFAOYSA-N 264.111 4.200 30 40 CIEB CCCCc1ccc(NC(=O)c2ccc(C#N)cc2)cc1 6931909 LRVODELILZEYPJ-UHFFFAOYSA-N 278.355 4.153 30 40 CIEB Cc1ccc(C(C)C)c(O)c1/N=C\c1ccccc1C(=O)O 17312992 CATQSYVECXRHCG-GRSHGNNSSA-N 297.354 4.273 30 40 CIEB Cc1cc(C)c(C(=O)/C=C/c2ccc3c(c2)OCO3)c(C)c1 96191230 JAGNGERHZTWSIS-GQCTYLIASA-N 294.350 4.237 30 40 CIEB CC1=C[C@@H](/C=N/N2CCCCCC2)[C@@H](C)N1c1ccccc1 104061761 BEVIUEVXBDDANT-OOXNGJDUSA-N 297.446 4.277 30 40 CIEB CCCCCCCCNC(=O)CC1CCCCC1 105986038 KKHYAMHPSJTMLY-UHFFFAOYSA-N 253.430 4.434 30 40 CIEB CC[C@@H](C)n1c(C#N)cc(N)c1Oc1ccc(C)c(C)c1 225885599 BKWDOBOJOMVIGK-CYBMUJFWSA-N 283.375 4.322 30 40 CIEB C=CC[C@H](Nc1ccc(OC)c(OC)c1)c1ccco1 279358 JTPDSUTZEODGGN-ZDUSSCGKSA-N 273.332 4.026 30 40 CIEB CCOc1ccccc1/C=C1/CCc2ccccc2C1=O 17060407 AKCUAONAPYZDOB-SSZFMOIBSA-N 278.351 4.298 30 40 CIEB C[C@H](c1ccccc1)N1CCC(C#N)(c2ccccc2)CC1 1888976951 QWQFCPMVGHVFJX-QGZVFWFLSA-N 290.410 4.305 30 40 CIEB Oc1ccc(/C=N/c2ccc(Cl)cc2Cl)c(O)c1 273872 BPWOWAKHXURGNY-FRKPEAEDSA-N 282.126 4.155 30 40 CIEB CCOc1ccccc1/C=N/Nc1nc2ccccc2s1 5161392 ZTKUVMWYMSEYND-GZTJUZNOSA-N 297.383 4.141 30 40 CIEB C[C@](C#N)(Cc1ccccc1)c1ccccc1Cl 36108794 ZKBDNCZSVPTRRB-MRXNPFEDSA-N 255.748 4.364 30 40 CIEB CC(C)CCCC#CCN1CCCC[C@H]1c1cccnc1 55243457 FALZIPIZZJECMF-IBGZPJMESA-N 284.447 4.438 30 40 CIEB biogenic CCOc1ccc(/C=C/C(=O)c2cccc(C)c2)cc1 71793418 ZQEZCZKGBVWWRY-FMIVXFBMSA-N 266.340 4.290 30 40 CIEB CCCCCC[C@@](C)(O)C#Cc1ccc(Cl)cc1 95631827 KMIZULVGHFJDJB-MRXNPFEDSA-N 264.796 4.413 30 40 CIEB O=C1SC(c2ccccc2)=C/C1=C\Nc1ccccc1 100663189 LGMBUMUHIWUKPX-WYMLVPIESA-N 279.364 4.297 30 40 CIEB CC(=O)N(C)c1ccc(/N=C/c2ccc(Cl)cc2)cc1 27598 QUNUMKFBNZVNJH-WOJGMQOQSA-N 286.762 4.073 30 40 CIEB CCN(CC)CC(C)(C)C(=O)/C=C/c1ccc(Cl)cc1 1591433 DZSMSQZYFGGZDN-FMIVXFBMSA-N 293.838 4.290 30 40 CIEB COc1ccc(Cl)cc1/C=C/C(=O)c1ccccc1 4649213 AZISCTXJRFGDLO-VQHVLOKHSA-N 272.731 4.245 30 40 CIEB C=CCNCc1ccccc1OCc1ccc(Cl)cc1 6855937 BSEDOGXQANHSBR-UHFFFAOYSA-N 287.790 4.195 30 40 CIEB CSC(=Nc1nc2ccc(C)cc2s1)SC 57352481 ZTIZJXIQINJURW-UHFFFAOYSA-N 268.432 4.318 30 40 CIEB O=C1C(=C2SCCS2)CC/C1=C/c1ccccc1 3353330 DPKBGNKHRXFGLY-BENRWUELSA-N 274.410 4.125 30 40 CIEB CC(=O)n1cc(/C=C/C(=O)c2ccccc2)c2ccccc21 4737742 PHKDBZHMEKLZCT-VAWYXSNFSA-N 289.334 4.198 30 40 CIEB C1=C[C@@H](c2ccc(/C=N/Nc3ccccn3)s2)CC1 5446194 SLMMWEDDSLGLIO-PBSOMRJOSA-N 269.373 4.023 30 40 CIEB CCCCCCCNC(=O)c1cc2cc(C)ccc2[nH]1 98045553 SKVORSUXOTZQLL-UHFFFAOYSA-N 272.392 4.177 30 40 CIEB CCCCCCCCC(=O)N1CCc2ccccc21 102065649 FGCSNECBHGEKEE-UHFFFAOYSA-N 259.393 4.326 30 40 CIEB CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 520510 HWRPFUBLJOKEDC-SNVBAGLBSA-N 290.432 4.119 30 40 CIEB CC(C)C(C#CCN(C)C)(c1ccccc1)c1ccccc1 1885635 FNLDBOJPBWWOCD-UHFFFAOYSA-N 291.438 4.194 30 40 CIEB Cc1nc(SCc2ccc(C#N)cc2)c2ccccc2n1 4240983 OSOQNWPUYCLQMO-UHFFFAOYSA-N 291.379 4.102 30 40 CIEB Clc1ccc2c(N/N=C/c3cccs3)ccnc2c1 5616484 FCVCFHUYRQGYGU-RQZCQDPDSA-N 287.775 4.396 30 40 CIEB C/C(=C\C(=O)c1ccc(-c2ccccc2)cc1)N(C)C 12350168 MHXYHRULODDPHS-BUHFOSPRSA-N 265.356 4.002 30 40 CIEB N#Cc1ccc(-c2csc(COc3ccccc3)n2)cc1 14119649 NFKGVEFUNLCCEG-UHFFFAOYSA-N 292.363 4.261 30 40 CIEB COc1cccc(N/C(C)=C/C(=O)c2ccc(C)cc2)c1 32100379 HILDIAISYSNKAQ-SDNWHVSQSA-N 281.355 4.202 30 40 CIEB O=C(/C=C/c1ccccc1)c1ccc(OC(F)F)cc1 71793142 DTXDHMJKUBVRGG-IZZDOVSWSA-N 274.266 4.184 30 40 CIEB N#C[C@@]1(CCC[C@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]2C=C[C@H]1C2 104065355 IARXVRLPSUMQLG-CMURFVSUSA-N 253.389 4.475 30 40 CIEB CC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575330212 NQWJRGVXUJWIAP-ARJAWSKDSA-N 274.126 4.421 30 40 CIEB CCc1ccc(C(=O)/C=C\Nc2ccc(Cl)cn2)cc1 157513 PELVVIFXPCDWCU-KTKRTIGZSA-N 286.762 4.106 30 40 CIEB CCOc1cccc(N/C=C/C(=O)c2ccc(CC)cc2)c1 6026814 VJBCVOKYHBINEG-OUKQBFOZSA-N 295.382 4.456 30 40 CIEB O=C(/C=C(\Br)c1ccccc1)c1ccccc1 6514017 PONNQRHNLOSBRQ-KAMYIIQDSA-N 287.156 4.305 30 40 CIEB Cc1ccc(COc2ccc(C#N)cc2Cl)cc1 42207765 GYHCETVHLNFVNP-UHFFFAOYSA-N 257.720 4.099 30 40 CIEB N#CCCCCCOc1cc(Cl)ccc1Cl 95738569 WLNSNFIJXUJRSK-UHFFFAOYSA-N 258.148 4.456 30 40 CIEB N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1NC1CCCC1 96346462 OSUALGIRKBEKRA-CABCVRRESA-N 293.370 4.172 30 40 CIEB CCCCCCCCOc1ccc(-c2nnco2)c(O)c1 100959465 WYFRQQJBFZCQRS-UHFFFAOYSA-N 290.363 4.182 30 40 CIEB C=CC[C@H]1[C@H]2c3ccccc3[C@@H](C[C@H]2C)N1CC=C 104019793 VDISSRTUMNHMAB-BVPBIZIASA-N 253.389 4.297 30 40 CIEB CCn1c(N/N=C/c2ccc(Cl)cc2)nc2ccccc21 408692185 GRRKCQOBYRFUFD-WOJGMQOQSA-N 298.777 4.156 30 40 CIEB CCCC/N=C(/S)N1CCC(Cc2ccccc2)CC1 15952115 RXZANCNFWBVRQU-UHFFFAOYSA-N 290.476 4.027 30 40 CIEB CCCOc1ccc(N/C(C)=C/C(=O)c2cccnc2)cc1 32100637 TZEMNUGEGFEISM-WYMLVPIESA-N 296.370 4.069 30 40 CIEB CCc1ccc(C(=O)/C=C/c2ccccc2C)cc1 32105401 OTIQFOZENGJJHO-OUKQBFOZSA-N 250.341 4.454 30 40 CIEB C/C(=N\NCc1ccc(Cl)cc1)c1cc(C)ccc1C 408711986 UFEWOYCQPJVMPA-XSFVSMFZSA-N 286.806 4.471 30 40 CIEB C[C@]1(C(=O)Sc2ccccc2)O[C@]1(C)c1ccccc1 1557927 VFAGRHYULQWZDB-IAGOWNOFSA-N 284.380 4.010 30 40 CIEB Cc1ccc(/C=C2\CCC[C@H](CN3CCCCC3)C2=O)cc1 1643499 NLQRFVDNRTUTBS-YWXUCKCNSA-N 297.442 4.234 30 40 CIEB C=CCn1c(NCc2ccc(C)cc2)nc2ccccc21 4741729 DSFJFMLYDPNHDZ-UHFFFAOYSA-N 277.371 4.143 30 40 CIEB O=C1/C(=C/c2ccccc2[N+](=O)[O-])CCCc2ccccc21 5410211 DQBUWUODVGZKAI-NTCAYCPXSA-N 293.322 4.197 30 40 CIEB C[C@H]1CCC/C(=N\Nc2ccc(Cl)c(C(=O)O)c2)C1 5417144 FWTUMAZCMBLXRM-RKMZRFOKSA-N 280.755 4.016 30 40 CIEB N#Cc1cccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c1 6839559 OFYIVXOBEXCPSO-UHFFFAOYSA-N 298.345 4.478 30 40 CIEB C[C@@H]1C/C(=N\Nc2nc3ccccc3[nH]2)CC(C)(C)C1 13146593 HRUQJEMPKUEBKE-FLFDVBNFSA-N 270.380 4.177 30 40 CIEB CCCCCCCCC(=O)NCOCCCCCC 97983072 BBCWCESRCWHYAU-UHFFFAOYSA-N 271.445 4.408 30 40 CIEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C/N1CCCc2ccccc21 100362940 AHAXJKCZZPBJCD-CQSPLGLFSA-N 295.426 4.348 30 40 CIEB CCCCCCCCC(=O)c1ccc(O)cc1O 100925777 QSBRNVVTQLEMPD-UHFFFAOYSA-N 250.338 4.031 30 40 CIEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/NCc2ccccc2)C1 408564338 YOPJZMJNSTUJLJ-FYPAKXHLSA-N 285.431 4.466 30 40 CIEB C=C(Cl)Cc1cc(F)c(Br)c(F)c1 953053618 GHCVAUITDRVUQC-UHFFFAOYSA-N 267.500 4.022 30 40 CIEB N#C[C@H]1C[C@@H](c2ccccc2)Nc2cc(Cl)ccc2N1 1578801 JUEAFDHIWLJVJJ-HIFRSBDPSA-N 283.762 4.201 30 40 CIEB CC[C@@H](C)/C(=N/C)Nc1ccc(Cl)c(Cl)c1 2045464 LCUDVUMGFYXOTA-MRVPVSSYSA-N 259.180 4.480 30 40 CIEB Cc1cccc(/C=N/Nc2nc3ccccc3s2)c1 4041120 VNWLISQCNPVWMD-MHWRWJLKSA-N 267.357 4.051 30 40 CIEB Cc1[nH]c2ccccc2c1/C=N/Nc1ccc(F)cc1F 4924262 DLGDBRNRJKRPIO-DJKKODMXSA-N 285.297 4.201 30 40 CIEB Cc1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1C 6340718 DLQVGNJGKVJNDC-VQHVLOKHSA-N 281.311 4.108 30 40 CIEB CCOc1ccc(C(=O)/C=C/Nc2ccccc2F)cc1 51318830 NXCJTEQBZYORHG-VAWYXSNFSA-N 285.318 4.033 30 40 CIEB CCCCCCCNCc1cc(C2CC2)nn1C(C)C 256052173 MEUCAPKXMMLJDS-UHFFFAOYSA-N 277.456 4.401 30 40 CIEB Cc1ccc(C)c(N/C(S)=N/Cc2ccccc2)c1 336358 YGPPDXUHOWZEII-UHFFFAOYSA-N 270.401 4.201 30 40 CIEB C=C(CCCCCCOc1ccc(Cl)cc1)C(=O)O 6158217 ZUXFCNVLSFLFQI-UHFFFAOYSA-N 282.767 4.310 30 40 CIEB in-vitro CCCCOc1ccc(/C=N/c2ccc(C(=O)O)cc2)cc1 35586011 GEDPHEGFKKRRIS-CPNJWEJPSA-N 297.354 4.314 30 40 CIEB COc1ccccc1N/C=C/C(=O)c1cc(C)ccc1C 44844372 UJQHCDZENCCBCL-ZHACJKMWSA-N 281.355 4.121 30 40 CIEB C=CCOc1cc(C)c(C#N)c(SCc2ccccc2)n1 95117478 TUJLMDIADGTNJA-UHFFFAOYSA-N 296.395 4.119 30 40 CIEB C=CCOc1cccc(/C=C/C(=O)c2ccccc2)c1 408623252 RHMFERDENAAKMA-VAWYXSNFSA-N 264.324 4.148 30 40 CIEB Clc1ccc(/C=N/[C@@H]2C[C@@H]2c2ccccc2)cc1 4772091 SEJGJJWQNRGYNI-JDPRVQSZSA-N 255.748 4.315 30 40 CIEB CCCCCCC(=O)/C=C/c1ccc(OC)c(OC)c1 5430563 GQYSDUVYEZEGDG-PKNBQFBNSA-N 276.376 4.257 30 40 CIEB C=CCSc1nnc(Nc2cccc(C)c2C)s1 6785024 PQTWUGBZOWUOPU-UHFFFAOYSA-N 277.418 4.177 30 40 CIEB C=CCOc1ccccc1/C=N/c1ccccc1C 8570925 GDAYDOYZSBLCAM-QGOAFFKASA-N 251.329 4.310 30 40 CIEB C[C@H]1CCC[C@@H](C)N1/N=C/c1cccc2ccccc12 12620002 YUKJHTAIXMRILZ-CMBKGEGFSA-N 266.388 4.437 30 40 CIEB Cc1ccc(C)c(/C=C/C(=O)c2ccc(C#N)cc2)c1 12774104 LEZJXTVXQYYENA-MDZDMXLPSA-N 261.324 4.071 30 40 CIEB CC(C)c1nc(OCc2ccccc2)c(C#N)c2c1CCC2 13729861 HLVZTOXWKDJABI-UHFFFAOYSA-N 292.382 4.144 30 40 CIEB C=CCn1c(SCCCc2ccccc2)nnc1C1CC1 40159100 XJKRSSLGYSGHMD-UHFFFAOYSA-N 299.443 4.066 30 40 CIEB C[C@H](c1ccc(Cl)cc1)[S@@](=O)CCC(C)(C)C#N 123446491 XEIHXOAGSMCDOD-ADLMAVQZSA-N 283.824 4.090 30 40 CIEB CC[C@@H](C)n1c(C#N)cc(N)c1Cc1cccc(Cl)c1 225852734 ZEJDLNXMNOHFJN-LLVKDONJSA-N 287.794 4.157 30 40 CIEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccccc1OC)C2 468187 TZVXTLOOGJXPLY-UGSOOPFHSA-N 285.387 4.016 30 40 CIEB Cc1sc(NC(=O)c2ccc(Cl)cc2)c(C#N)c1C 557858 GKGGUIHPBGRVOT-UHFFFAOYSA-N 290.775 4.142 30 40 CIEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C/N1CCCc2ccccc21 39738187 AHAXJKCZZPBJCD-WBIISZMLSA-N 295.426 4.348 30 40 CIEB C=CCc1cc(/C=N/c2ccc(F)cc2)cc(OCC)c1O 59248110 LIMRYNMLFYXJBQ-UDWIEESQSA-N 299.345 4.409 30 40 CIEB C[C@H](c1ccccc1Cl)N(C)CCC(C)(C)C#N 87595565 CBCKDVSUZHBBIU-GFCCVEGCSA-N 264.800 4.273 30 40 CIEB N#Cc1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc2c1 105668430 QZNBBVYCNUDOKX-UHFFFAOYSA-N 287.244 4.120 30 40 CIEB CC(C)(C)c1ccc(/N=C\c2ccc(O)c([N+](=O)[O-])c2)cc1 408965998 YMTGQEMDKXDFCU-WQRHYEAKSA-N 298.342 4.349 30 40 CIEB Cc1cccc(/N=C\c2ccc(N3CCCC3)c(F)c2)c1 409072520 SKBVZAQCDNWMSM-MOSHPQCFSA-N 282.362 4.485 30 40 CIEB C=C1N(Cc2cccnc2)C(=O)O[C@]1(C)CCC=C(C)C 34278 VWKOEBYKDPOLQG-QGZVFWFLSA-N 286.375 4.053 30 40 CIEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(F)cc1)C2 472910 ORPNPOLCSMQLNJ-SJKOYZFVSA-N 273.351 4.147 30 40 CIEB C=C(Cl)COc1ccc(C(=O)c2ccccc2)cc1 1556192 CECVSCGWXZCNPV-UHFFFAOYSA-N 272.731 4.049 30 40 CIEB Fc1ccc(N/N=C/C=C/c2ccccc2)c(F)c1 3255187 QYWLVYZVXVHABE-UOMISXDJSA-N 258.271 4.076 30 40 CIEB N#Cc1ccc(OCc2csc(-c3ccccc3)n2)cc1 7890267 KPCYBZJPSGUQHZ-UHFFFAOYSA-N 292.363 4.261 30 40 CIEB O=C(Nc1ccc(Cl)c(Cl)c1)O/N=C/c1ccco1 22590528 ZEOKEPUGUGLJGB-VIZOYTHASA-N 299.113 4.169 30 40 CIEB O=C(/N=C/c1ccc(Cl)cc1)OC1CCCCC1 2511003 LXJDLIQRFJKITJ-MHWRWJLKSA-N 265.740 4.228 30 40 CIEB CCCCN(CCC#N)c1ccc(Br)c(F)c1 95915917 NMBODGZZGWLTTG-UHFFFAOYSA-N 299.187 4.108 30 40 CIEB Cc1cnc(CSc2ccc(C#N)c(C(F)(F)F)c2)o1 97050296 SWWBUPKMIHRSOZ-UHFFFAOYSA-N 298.289 4.166 30 40 CIEB O/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 103851637 QOYPIHFOEGWMQT-CAOOACKPSA-N 296.153 4.381 30 40 CIEB CC(C)(COC(F)(F)[C@H](F)C(F)(F)F)C(F)(F)F 1083806311 HOGFVVUTELNGRT-SCSAIBSYSA-N 292.141 4.085 30 40 CIEB N#Cc1c(C(F)(F)F)cc(Cl)n2c1nc1ccccc12 4677963 HACSXXQJGFUXTH-UHFFFAOYSA-N 295.651 4.031 30 40 CIEB C=CCn1c(NCc2cccc(Cl)c2)nc2ccccc21 6752542 PZTUKLDLOLEGGT-UHFFFAOYSA-N 297.789 4.488 30 40 CIEB Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2O)c1 8367905 BWAQNXWUAFXKDP-RQZCQDPDSA-N 259.736 4.413 30 40 CIEB [N-]=[N+]=Nc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1 8386242 AJJIYWYTBPUIEN-XCVCLJGOSA-N 265.272 4.230 30 40 CIEB N#Cc1ccc(CNc2cccc3c2CCCC3)cc1 19906210 NRUZZSCEKVRKDR-UHFFFAOYSA-N 262.356 4.049 30 40 CIEB C#Cc1cccc(NC(=O)c2cc3c(s2)CCCCC3)c1 22408962 RZUJXIMGULBZSL-UHFFFAOYSA-N 295.407 4.251 30 40 CIEB CC[C@@H](C)n1c(C#N)ccc1Cc1ccc(C)cc1 226029511 BRAJPAMBDMFZBD-CQSZACIVSA-N 252.361 4.230 30 40 CIEB C/C(=C\C(=O)c1ccc(C)o1)Nc1ccc(C)cc1C 409366985 ZGLHTCHDRKHWQE-JLHYYAGUSA-N 269.344 4.403 30 40 CIEB CC1(C)CC(=O)C2=C(C1)C[C@]1(C)CC(C)(C)C[C@@]2(O)C1 344525 IJDSUFQMYUARCQ-QZTJIDSGSA-N 276.420 4.023 30 40 CIEB Cc1cc(C(F)(F)F)c(C#N)c(Oc2ccccc2)n1 1393116 CZHPCFODBIFWPP-UHFFFAOYSA-N 278.233 4.073 30 40 CIEB CCCCCCCCn1c(=S)[nH]c2ccccc2c1=O 3299745 MNBKNTWRJXXYNY-UHFFFAOYSA-N 290.432 4.420 30 40 CIEB C(=N/N=C/c1c[nH]c2ccccc12)\c1cc2ccccc2[nH]1 5027252 HBXAGQLPNXFCBG-HGEIODPWSA-N 286.338 4.102 30 40 CIEB Nc1cccc(C#Cc2ccc(-c3ccccc3)cc2)c1 37547821 WTRNUCIDMSCLQQ-UHFFFAOYSA-N 269.347 4.336 30 40 CIEB CC(C)(C)[C@@H](NC(=O)c1cccc(C#N)c1)c1cccs1 40089727 XHDNUYZUVGZNJN-HNNXBMFYSA-N 298.411 4.137 30 40 CIEB C=C(C)C1(C(C)=O)[C@@H]2CC[C@H]1c1c(F)c(F)c(F)c(F)c12 45071210 WVZWMBUOSUZDIG-GSIGJJLKSA-N 298.279 4.369 30 40 CIEB O=C1/C(=C/c2ccc(F)cc2F)Sc2ccccc21 97453 NDIRYFYEWNRWIP-AUWJEWJLSA-N 274.291 4.294 30 40 CIEB CCCCC[C@@H](CN(C)C)C(=O)/C=C/c1ccc(F)cc1 1574754 ASGQVNSGBFJSMI-ISBHARSQSA-N 291.410 4.166 30 40 CIEB Cc1ccc(/C=C2\CCC[C@@H](CN3CCCCC3)C2=O)cc1 1643497 NLQRFVDNRTUTBS-ZSFFSCSXSA-N 297.442 4.234 30 40 CIEB N#Cc1ccccc1CC(=O)c1ccc(C(F)(F)F)cc1 2393059 QXVIXSNBMFJLTK-UHFFFAOYSA-N 289.256 4.002 30 40 CIEB C=C(C)CCC[C@@H](C)C[C@@H](O)C#Cc1ccccc1 3845676 XOUGXHQLWBUWRZ-AEFFLSMTSA-N 256.389 4.172 30 40 CIEB biogenic C=C(C)Cn1c([C@@H](C)N2CCCCC2)nc2ccccc21 5210125 UVLYFPGHWZZQPA-OAHLLOKOSA-N 283.419 4.159 30 40 CIEB COc1cc(/C=N/c2ccccc2C)cc(Cl)c1O 8570814 GXBHVGIAJNMLAZ-RQZCQDPDSA-N 275.735 4.113 30 40 CIEB Cc1cc(C#N)c(C)n1-c1ccc(Cl)c(Cl)c1 32113806 NWMTYFBAJWZJHW-UHFFFAOYSA-N 265.143 4.273 30 40 CIEB CC(C)c1ccc(/C=C\C(=O)c2ccccc2O)cc1 33376534 SONSBCPVVSAMDY-XFXZXTDPSA-N 266.340 4.412 30 40 CIEB C[C@](C#N)(Cc1ccccc1)c1ccc(Cl)cc1 36108796 NZUCINLJYFEEOO-MRXNPFEDSA-N 255.748 4.364 30 40 CIEB C=C(c1ccccc1)[C@@H]1CCCCN1C(=O)OC(C)(C)C 39155464 JXAFETOQYWTDGM-INIZCTEOSA-N 287.403 4.489 30 40 CIEB C#CC[C@@H](NC(=O)c1ccc2ccccc2c1)c1ccccc1 89261546 SKODTPGDAVQQMP-HXUWFJFHSA-N 299.373 4.334 30 40 CIEB CC[C@H](C)C[C@](C)(O)C#Cc1ccc(Cl)cc1C 95633408 YTERWNQETMVFDX-BLLLJJGKSA-N 264.796 4.187 30 40 CIEB Cc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)s1 575358927 YMCJRMZMXYZWSR-UHFFFAOYSA-N 294.191 4.072 30 40 CIEB Cc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1F 298217 WLWDTHMBRMSEJU-CAOOACKPSA-N 292.697 4.446 30 40 CIEB C=CCNC(=S)Nc1c(Cl)cc(Cl)cc1Cl 6262045 RVDHZTXKQZIZEX-UHFFFAOYSA-N 295.622 4.119 30 40 CIEB Clc1ccc(/C=N/[C@H]2C[C@@H]2c2ccccc2)cc1 16034225 SEJGJJWQNRGYNI-MAIUNSNDSA-N 255.748 4.315 30 40 CIEB CCc1ccc(C(=O)/C=C/Nc2ccccc2)cc1 33677569 WCIAOZJSYXFMFZ-OUKQBFOZSA-N 251.329 4.058 30 40 CIEB Cc1cc(/C=N/c2cccc(O)c2)ccc1N1CCCC1 59104589 AKKNAHFOIVLCMV-CPNJWEJPSA-N 280.371 4.051 30 40 CIEB CCCC[C@@H](CC)[C@@H](O)C#Cc1cc(Cl)ccc1OC 95631526 JCADREQFGPTGQD-CJNGLKHVSA-N 294.822 4.277 30 40 CIEB COc1ccc(/C=N/c2ccc(Cl)cc2C)cc1OC 357162 OTMYICWGZFIWTQ-VCHYOVAHSA-N 289.762 4.416 30 40 CIEB CCCOc1ccc(/C=N/c2ccc(OC)cc2)cc1 3155690 RZBOBVAKXAURGG-QGOAFFKASA-N 269.344 4.235 30 40 CIEB C=CCn1c([C@@H](C)Oc2ccccc2)nc2ccccc21 4908410 IIGVXWLATHXCNL-CQSZACIVSA-N 278.355 4.362 30 40 CIEB C=CCNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 7949348 XZSWLXBJJROHEN-UHFFFAOYSA-N 296.153 4.169 30 40 CIEB CN(C)CCC(/C=C/c1ccccc1)=N/Nc1ccccc1 17194731 DLRHMSSHHRHVEG-SWHSDNCOSA-N 293.414 4.120 30 40 CIEB Cc1ccc(/C=N/c2sc(C)c(C)c2C#N)s1 100840557 SEOLGJRMTKUMRH-VIZOYTHASA-N 260.387 4.357 30 40 CIEB O=C1/C(=C\c2ccccc2[N+](=O)[O-])CCCc2ccccc21 1768251 DQBUWUODVGZKAI-QINSGFPZSA-N 293.322 4.197 30 40 CIEB N#Cc1cccc(C(=O)CCc2ccc(Cl)cc2)c1 2517271 ZZDLFKPMFVICOJ-UHFFFAOYSA-N 269.731 4.027 30 40 CIEB C=CCNCc1ccc(-c2ccc(C)c(Cl)c2)o1 20876608 XSIBDLZIWKBDFW-UHFFFAOYSA-N 261.752 4.184 30 40 CIEB CN1/C(=C/C=N/c2ccccn2)C(C)(C)c2ccccc21 103438871 MCIQCAZNEXEZLX-NWDFCGOISA-N 277.371 4.095 30 40 CIEB C=CCCC(=O)c1ccc(OCc2ccccc2)cc1 199680729 FWCANZCDYAPZDC-UHFFFAOYSA-N 266.340 4.415 30 40 CIEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(C#N)cc21 223791898 SQGOAEJKHHPQGW-UHFFFAOYSA-N 254.377 4.277 30 40 CIEB N#CC1(C(=O)Nc2ccccc2Sc2ccccc2)CC1 225992784 GLEHBYOTVOLURP-UHFFFAOYSA-N 294.379 4.080 30 40 CIEB N#Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 20555191 XLBRQEBZWFTVIK-UHFFFAOYSA-N 278.138 4.444 30 40 CIEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)Nc1ccc(C)cc1)C2 100282714 ABHRTSZRXZVMIQ-KDOFPFPSSA-N 269.388 4.316 30 40 CIEB CCCCCCCCCCCC[S@](=O)C[C@H](C)O 104189589 MKMIQRZGJOVVSO-MAUKXSAKSA-N 276.486 4.037 30 40 CIEB O=C1CCC/C1=C/Nc1cccc(Cl)c1Cl 409180407 RZRPYGFEASYTKP-FPLPWBNLSA-N 256.132 4.042 30 40 CIEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1cccc(C(C)=O)c1)C2 4185574 ILQSEBPZWDXUTJ-KXBFYZLASA-N 297.398 4.210 30 40 CIEB C[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 4713343 WRZFUOOSXMQGBT-ODSVMKNPSA-N 294.398 4.271 30 40 CIEB C[C@H](NCc1cccc(C#N)c1)c1ccccc1Cl 11038124 HRSPGNSLLXGHPC-LBPRGKRZSA-N 270.763 4.062 30 40 CIEB C[C@H](Nc1ncccc1C#N)c1ccccc1C(F)(F)F 57142067 FMHXJRJXCRTWDW-JTQLQIEISA-N 291.276 4.145 30 40 CIEB N#Cc1ccc(/C=C/c2nc3ccccc3s2)cc1 5130085 PRDNXDBSCYXAEJ-MDZDMXLPSA-N 262.337 4.338 30 40 CIEB C=CCOc1cccc(CNc2ccc(F)cc2)c1 6295879 IDDRZXAGEHVFAT-UHFFFAOYSA-N 257.308 4.003 30 40 CIEB COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1O 7714225 OAXNXYQMOBELCT-ONNFQVAWSA-N 296.366 4.420 30 40 CIEB CCOc1ccc(/C=N/c2ccc(CC)cc2)cc1OC 8084754 YUCNURUUHTZXAX-CPNJWEJPSA-N 283.371 4.407 30 40 CIEB Cc1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C)s1 8322627 CIMPKMOLNIQSGK-VMPITWQZSA-N 287.340 4.169 30 40 CIEB CN(C)c1ccc(/C=C2\Oc3ccc(Cl)cc3C2=O)cc1 16958256 TXAACZUJTQERQU-SXGWCWSVSA-N 299.757 4.022 30 40 CIEB N#Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)nc1N 19832445 ROWYHUZYPADTHA-UHFFFAOYSA-N 289.313 4.009 30 40 CIEB C=CCO[C@H](CC)c1ccc(Br)cc1 72210026 DGUVVVMTJVSKFM-GFCCVEGCSA-N 255.155 4.103 30 40 CIEB Fc1c(F)c(C(F)(F)F)c(F)c(C(F)(F)F)c1F 95681610 LALVQFXNRXDTGV-UHFFFAOYSA-N 286.068 4.281 30 40 CIEB CC(C)(C)Nc1oc([C@@H]2C[C@H]2c2ccccc2)nc1C#N 96346124 MIPLYSZSGJZZKX-QWHCGFSZSA-N 281.359 4.028 30 40 CIEB CCCCCCCN(CCO)CCCCCCC 100077002 ZVFMAVXIWCBWRK-UHFFFAOYSA-N 257.462 4.222 30 40 CIEB CCCC/N=C1\C=C(NCCCC)c2ccccc21 2581776 CABIGGVIZZWFSL-HTXNQAPBSA-N 256.393 4.020 30 40 CIEB CCc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 5128204 RINBGTALYARMPL-KPKJPENVSA-N 281.311 4.053 30 40 CIEB C(=N/N(Cc1ccccc1)c1ccccc1)\c1ccco1 5603591 GVVFSBGAOXCHLQ-XMHGGMMESA-N 276.339 4.320 30 40 CIEB N#Cc1ccc(OCCSCc2cccc(F)c2)cc1 57421623 DGJWBQZQGZTIDF-UHFFFAOYSA-N 287.359 4.010 30 40 CIEB N#Cc1cccc(NCc2csc(-c3ccsc3)n2)c1 72817081 OSPDSWDXRXYHOS-UHFFFAOYSA-N 297.408 4.355 30 40 CIEB C[C@@]12CCC[C@H]1[C@@H]1CC[C@@]34O[C@@H]3C(=O)CC[C@]4(C)[C@H]1CC2 119418825 ADQAIISRSVBSFL-BEEALFCHSA-N 288.431 4.120 30 40 CIEB N#CCc1cccc(-c2ccc(Cl)cc2Cl)n1 306145214 MVKMYJXZUSXZRC-UHFFFAOYSA-N 263.127 4.121 30 40 CIEB in-vitro Cn1c(CNc2cccc(Cl)c2)c(C#N)c2ccccc21 194764 MCDXCQWMXCZZHT-UHFFFAOYSA-N 295.773 4.315 30 40 CIEB CCOc1cccc(/C=N/c2c(C)cccc2C)c1O 44835979 NELAVADRNZSKKI-WOJGMQOQSA-N 269.344 4.158 30 40 CIEB Cc1cc(O)c(C(C)C)cc1/N=C\c1ccc2c(c1)OCO2 100249803 MSSWKSMLJGXDPN-OCKHKDLRSA-N 297.354 4.303 30 40 CIEB CCCCCCCCC(=O)OCCC[C@H]1CCCO1 104259690 LFKPWNSEZVIRRF-OAHLLOKOSA-N 270.413 4.239 30 40 CIEB CCCCN1c2ccc(C#N)cc2C(C)=CC1(C)C 223791590 HUELLBCVCLAGTG-UHFFFAOYSA-N 254.377 4.360 30 40 CIEB CCCCCn1c(C#N)cc(N)c1Oc1ccc(F)cc1 225882764 YYOZNROTJTZHAU-UHFFFAOYSA-N 287.338 4.064 30 40 CIEB CC(C)n1c(/N=C/c2ccccc2O)nc2ccccc21 13122062 XQLAHCXXKWWYQP-WOJGMQOQSA-N 279.343 4.073 30 40 CIEB C(=N\N=C\c1c[nH]c2ccccc12)\c1c[nH]c2ccccc12 16982952 OUAMYDYQMNKPLV-ZCJKAFFOSA-N 286.338 4.102 30 40 CIEB N#Cc1ccc(NCc2ccccc2)cc1C(F)(F)F 37306355 NLDJGWQOAXICMO-UHFFFAOYSA-N 276.261 4.189 30 40 CIEB Cc1cccc(-c2cc(C(F)(F)F)c(C#N)c(S)n2)c1 68590652 UZCDJVMVAXKOOB-UHFFFAOYSA-N 294.301 4.236 30 40 CIEB Cc1ccc(/N=C\c2ccc(N(C)C)cc2)c(C)c1 95920285 LENUXNNACZQFKE-PDGQHHTCSA-N 252.361 4.120 30 40 CIEB CCc1ccccc1N/C=C/C(=O)c1ccc(OC)cc1 409056133 GJEWEHUTTHVLTP-OUKQBFOZSA-N 281.355 4.066 30 40 CIEB CCC[C@@H](C)/C(N)=N/c1ccc(Cl)c(Cl)c1 1670546 HECKUDRRSNVBMM-MRVPVSSYSA-N 259.180 4.418 30 40 CIEB Cc1ccc(C)c(/N=C/c2ccc(N(C)C)c([N+](=O)[O-])c2)c1 4357751 AFGOLPNSFXPWCZ-WOJGMQOQSA-N 297.358 4.028 30 40 CIEB CCCCOc1ccc(Nc2nc(C)cc(C)c2C#N)cc1 4853438 KNPRLRAEHJYQOZ-UHFFFAOYSA-N 295.386 4.493 30 40 CIEB O=C(/C=C/c1ccsc1)c1cc2ccccc2o1 5129516 LFAFBRCPLAGFLD-AATRIKPKSA-N 254.310 4.390 30 40 CIEB c1ccc(CO/N=C2\CCCc3c2[nH]c2ccccc32)cc1 6927440 CNPSBLISUZLYCW-DYTRJAOYSA-N 290.366 4.425 30 40 CIEB Cc1cccc(C(C)C)c1NC(=O)c1cccc(C#N)c1 7264133 LGUHEEZWLPIRSW-UHFFFAOYSA-N 278.355 4.242 30 40 CIEB CCOc1ccc(C(=O)/C=C/c2sccc2C)cc1 71977032 ZYWCAPUAIPKNAC-CMDGGOBGSA-N 272.369 4.351 30 40 CIEB C=C1C[C@@]2(CC)C(=O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@@H]12 82048503 QSUOYDLHCFPVMW-HROONELDSA-N 298.426 4.254 30 40 CIEB CCCCn1c(C#N)cc(N)c1Sc1ccc(C)cc1 225888205 WEYIMIGYQDRANQ-UHFFFAOYSA-N 285.416 4.202 30 40 CIEB CC(C)(C)N/C=C(\C(=O)c1ccccc1)c1ccccc1 4262703 UXLARMMMNKWROZ-VKAVYKQESA-N 279.383 4.299 30 40 CIEB O=[N+]([O-])c1ccccc1N/N=C1/CCCCc2ccccc21 5445983 OWDJQNLKEKIUMM-SDXDJHTJSA-N 295.342 4.137 30 40 CIEB Cc1cc(O)c(/C(CCc2ccccc2)=N/O)cc1Cl 5538744 IUXKQKXLEKDBAP-OBGWFSINSA-N 289.762 4.165 30 40 CIEB CC1=Nc2ccccc2/C1=N/Nc1ccc(Cl)cc1 13305526 SIASKVBSQJMLDG-XDJHFCHBSA-N 269.735 4.262 30 40 CIEB CCCCCCCCn1c(CCCO)nc2ccccc21 50860240 KCHQDVJFUBJXQT-UHFFFAOYSA-N 288.435 4.322 30 40 CIEB C=C(c1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(C)C 72207936 WYTUKRCDDGKWTE-OAHLLOKOSA-N 275.392 4.249 30 40 CIEB CCCCCC[C@](C)(O)C#Cc1cccc(Cl)c1 95631788 FAMDBYDGCSEMLH-INIZCTEOSA-N 264.796 4.413 30 40 CIEB CCCCCCCOc1ccc(C=O)cc1OCC 100434715 FWLWDQNMHMAMGL-UHFFFAOYSA-N 264.365 4.247 30 40 CIEB COc1cccc(/N=C\c2ccc(N3CCCCC3)cc2)c1 408849872 ACRBEHFORDTCKP-HKWRFOASSA-N 294.398 4.436 30 40 CIEB C/C(=N\Nc1ncc(Cl)cc1Cl)c1cccs1 5868308 NMUKGJWVGZKRSV-VIZOYTHASA-N 286.187 4.286 30 40 CIEB C#CCOc1ccc(/C=N/c2ccc(C)cc2)cc1OCC 6960562 ZVJNKPRPZZTLPI-XSFVSMFZSA-N 293.366 4.156 30 40 CIEB C=C(C)COc1cccc(C(=O)N[C@@H](C)c2ccccc2)c1 8570629 SYSDYQWBMMMWJI-HNNXBMFYSA-N 295.382 4.133 30 40 CIEB CC[C@H](C)c1ccc(NC(=O)c2ccc(C#N)cc2F)cc1 14258145 NQMBBWZSXIMVSA-LBPRGKRZSA-N 296.345 4.463 30 40 CIEB C[C@H](/N=C\c1ccccc1O)C12CC3CC(CC(C3)C1)C2 17729309 VGXYFBFCYMQCEO-FZYCVZNISA-N 283.415 4.416 30 40 CIEB Oc1ccc(Cl)cc1/C=N/Cc1ccccc1Cl 44835586 GOTKZZSTMJNCJP-RQZCQDPDSA-N 280.154 4.318 30 40 CIEB N#Cc1ccc(Sc2cccc(Br)c2)cc1 55307694 CHQJRHLVHDIDOS-UHFFFAOYSA-N 290.185 4.472 30 40 CIEB CCCCO/C=C/C(=O)c1ccc(C(F)(F)F)cc1 96308347 WWZGKYXVKLNWEI-CSKARUKUSA-N 272.266 4.219 30 40 CIEB Cc1[nH]c2ccccc2c1/C=N/c1cccc(C#N)c1 297927 NYAGCODLYAGJER-YBFXNURJSA-N 259.312 4.099 30 40 CIEB N#CCc1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 481560 CTWKRMCPHTWRIP-UHFFFAOYSA-N 293.757 4.259 30 40 CIEB C[C@@H](C[C@@H](C#N)N(C)c1ccccc1)CC(C)(C)C 1693499 UECPHRXRENSFNH-HOCLYGCPSA-N 258.409 4.477 30 40 CIEB O/N=C1\CCCCCC[C@@H]1Sc1nc2ccccc2[nH]1 5532510 MNGFJZQJDRCHMO-RAOBZKRQSA-N 289.404 4.208 30 40 CIEB N#Cc1cccc(NC(=S)Nc2ccc(Cl)cc2)c1 6276522 XONPNCFOUBZKNQ-UHFFFAOYSA-N 287.775 4.021 30 40 CIEB Cc1ccc(O)c(/N=C/c2c(O)cc(C)c(Cl)c2C)c1 15133648 UZUHFNSZBSBRJD-QGMBQPNBSA-N 289.762 4.427 30 40 CIEB C=C(C)[C@H]1CC=C(C)C(=NNC(=O)c2ccc(C)cc2)C1 17146231 ZOEVVXCTJDPPRV-INIZCTEOSA-N 282.387 4.013 30 40 CIEB C[C@@H](c1cccs1)N(C)Cc1cn2ccccc2c1C#N 58537472 DLEVWYPAAVQBAX-ZDUSSCGKSA-N 295.411 4.065 30 40 CIEB Cc1ccc(C(=O)/C=C/c2ccccc2F)c(C)c1 71977097 XJJTVBZXIHTZIW-CSKARUKUSA-N 254.304 4.339 30 40 CIEB N#Cc1cc(C(F)(F)F)ccc1-c1ccc(C=O)cc1 90669128 GGAIUAASXJEGNC-UHFFFAOYSA-N 275.229 4.057 30 40 CIEB CCCOCCCC(F)(F)C(F)(F)C(F)(F)F 1565659632 KTKXHTALSNUYSU-UHFFFAOYSA-N 270.188 4.026 30 40 CIEB Cc1ccc(/C=N/Nc2ccc3ccccc3n2)s1 5553591 LLUZDLQWFNLXAP-MHWRWJLKSA-N 267.357 4.051 30 40 CIEB C(=N/Nc1ccccn1)\c1ccc(-c2ccccc2)cc1 7993960 PNHCBLGIQQTWKB-XSFVSMFZSA-N 273.339 4.195 30 40 CIEB CCc1ccc(C(=O)/C=C/c2ccccc2F)cc1 32108236 JRDNZWRIGANBQZ-VAWYXSNFSA-N 254.304 4.284 30 40 CIEB C=CCOc1ccc(/C=C/C(=O)c2cccc(OC)c2)cc1 57437977 BFMHOWHCIJAFJI-FMIVXFBMSA-N 294.350 4.156 30 40 CIEB CCCCCCCCNc1nc(Cl)nc(NCCC)n1 100554177 JMWHBHRHFRIMOS-UHFFFAOYSA-N 299.850 4.119 30 40 CIEB C/C(=N\Nc1cccc([N+](=O)[O-])c1)c1ccccc1Cl 4921717 UTMQSAZEXCIVHM-MHWRWJLKSA-N 289.722 4.084 30 40 CIEB N#Cc1c(CSc2ccc(F)cc2)cn2ccccc12 14857792 ZRJLUANQULFQPJ-UHFFFAOYSA-N 282.343 4.242 30 40 CIEB Oc1ccc(/C=N\n2c3ccccc3c3ccccc32)cc1 25692743 FVZQRLHCNICBKC-MOSHPQCFSA-N 286.334 4.382 30 40 CIEB C/C(C[C@H](c1ccccc1)N1CCc2ccccc2C1)=N/O 95567696 YASSBQUIPOISHI-GCFJHJGGSA-N 294.398 4.026 30 40 CIEB Cc1ccc(C(=O)/N=C2\C[C@@H]3CC[C@@]2(C)C3(C)C)cc1 100834725 QHRWIYCBIBBJQB-POJSKFFVSA-N 269.388 4.422 30 40 CIEB O=C(C=CNc1ccccc1)c1ccc2c(c1)CCCC2 2049241045 RLXRXNNLQWGEDG-UHFFFAOYSA-N 277.367 4.374 30 40 CIEB [O-]/[N+](=C\c1ccc(Cl)cc1Cl)c1ccccc1 78420 HUEMILSYRIWOAB-SXGWCWSVSA-N 266.127 4.254 30 40 CIEB C[C@@H]1CCC[C@@H](C)N1/N=C/c1ccccc1Br 5506436 FJMJUGIZRLOEBE-DYBVGFEPSA-N 295.224 4.046 30 40 CIEB Cc1cccc(C(=O)/C=C\Nc2cccc(Cl)c2)c1 5795891 NUCUMEOGVFBLPG-HJWRWDBZSA-N 271.747 4.457 30 40 CIEB O=C(/C=C/c1cccc(Br)c1)c1cccs1 5852187 QUMOQWJJKQQXSW-VOTSOKGWSA-N 293.185 4.407 30 40 CIEB COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1C 11330759 GYZZBHKZBABKSG-XVNBXDOJSA-N 288.293 4.178 30 40 CIEB CCCCCCCCCCCCCCCC(=O)[C@H](N)CO 32786897 KBUNOSOGGAARKZ-QGZVFWFLSA-N 299.499 4.356 30 40 CIEB in-vitro Cc1ccc(/C=N/Nc2ncnc3sc(C)c(C)c23)cc1 4679487 QKTXCGZZXMDGGM-UFWORHAWSA-N 296.399 4.063 30 40 CIEB Cc1ccc(N/N=C/c2ccc(F)c(F)c2)cc1Cl 4921768 URYGTQYFPGBAGS-QGMBQPNBSA-N 280.705 4.373 30 40 CIEB N#Cc1ccc(CSCc2ccc(C#N)cc2F)cc1 9884930 ACJKWGJRNHZVGC-UHFFFAOYSA-N 282.343 4.002 30 40 CIEB CCCCCCCNCc1ccc(OCC)c(OC)c1 100126143 PELYDIYYIDAISN-UHFFFAOYSA-N 279.424 4.154 30 40 CIEB C[C@H]1CCc2c(c(-c3ccccc3)[nH]c(=S)c2C#N)C1 170622683 VKRJZTWRPKCTDI-NSHDSACASA-N 280.396 4.408 30 40 CIEB N#Cc1cc(Oc2ccc(F)cc2)nc2ccccc12 233189 ARPJQYCNUKXCQN-UHFFFAOYSA-N 264.259 4.038 30 40 CIEB C[C@@H]1O[C@H]1c1ccc(-c2ccc([C@H]3O[C@H]3C)cc2)cc1 4429631 DKPSJBDPZNTLCN-GNTOHDJUSA-N 266.340 4.273 30 40 CIEB C=C[C@](C)(O)C[C@H]1[C@@](C)(O)CC[C@@H]2C(C)(C)CCC[C@@]21C 5852643 HTYVNKCNBDAITQ-PTGCCPEKSA-N 294.479 4.307 30 40 CIEB biogenic COc1ccccc1N/C(C)=C/C(=O)c1ccc(C)cc1 32100383 DQWQBCCEMNDCKG-WYMLVPIESA-N 281.355 4.202 30 40 CIEB CCCC[C@H](CC)[C@H](O)C#Cc1ccc(OCC)cc1 95632068 IXXFXKGWMUJSAE-FUHWJXTLSA-N 274.404 4.014 30 40 CIEB CC(=O)/C=C(\C)Nc1ccc2c(c1)Cc1ccccc1-2 98192443 ZOVXOXCZPGDGBC-FMIVXFBMSA-N 263.340 4.163 30 40 CIEB C/C(=N\O)c1sc(Nc2ccccc2Cl)nc1C 100683509 ZAUCSGZMBHAXEU-LZYBPNLTSA-N 281.768 4.047 30 40 CIEB CC1=CC[P@+](Cc2ccccc2)(c2ccccc2)C1 104272530 FWSYNZCLPLHGMZ-IBGZPJMESA-N 267.332 4.490 30 40 CIEB C=CCOc1cccc(/C=N/c2oc(C)c(C)c2C#N)c1 408588176 IELNJDJBIRPZRI-YBFXNURJSA-N 280.327 4.084 30 40 CIEB CC(=O)c1cccc(/N=C/c2ccc(Cl)s2)c1 408967954 VYTOVLBWEHWROA-OVCLIPMQSA-N 263.749 4.355 30 40 CIEB O=[N+]([O-])c1cc(/N=C/c2c[nH]c3ccccc23)ccc1Cl 45863 JSEOOEFPSMVYON-CAOOACKPSA-N 299.717 4.480 30 40 CIEB C=CCN(CC=C)C(=O)CSc1ccc2ccccc2c1 3229834 NQEICRACVPRCGX-UHFFFAOYSA-N 297.423 4.133 30 40 CIEB Cc1ccccc1/N=C/c1ccc(O)c(Br)c1 5548992 YEBGWRHQJGUDDX-CXUHLZMHSA-N 290.160 4.214 30 40 CIEB Cc1cc([C@H](C)NC(=O)Nc2ccc(C#N)cc2)c(C)s1 31662760 XWVOIDDYJJREHS-NSHDSACASA-N 299.399 4.119 30 40 CIEB Cc1ccc(-n2c(C)cc(C#N)c2C)c(Br)c1 223704846 UIYYLLAESBHJCA-UHFFFAOYSA-N 289.176 4.037 30 40 CIEB C[C@]1(c2ccccc2)CC/C(=C\c2ccccc2)C1=O 5742896 GYRXIIXAVFMVSI-JRJUITNWSA-N 262.352 4.391 30 40 CIEB C[C@@H](C#N)Sc1ncnc2sc(-c3ccccc3)cc12 6114576 NHBRHYPIVBPRQB-JTQLQIEISA-N 297.408 4.362 30 40 CIEB CCc1ccc(C(=O)/C=C/c2ccc(NC(C)=O)cc2)s1 12679946 DPFLWKSFSKZJBA-UXBLZVDNSA-N 299.395 4.165 30 40 CIEB C[C@@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 12759307 DJLYNGHLEJQLRO-GFCCVEGCSA-N 270.763 4.062 30 40 CIEB Oc1ccc2ccccc2c1/C=N/Cc1ccccc1 18119269 CTMYZNZIVQEMHN-CPNJWEJPSA-N 261.324 4.165 30 40 CIEB CCCCCCCCCCCCO[S@@](C)(=O)=S 100311579 UOJPDFXOEXAGPT-QGZVFWFLSA-N 280.499 4.215 30 40 CIEB CS/C(=N\C#N)Sc1c(Cl)cccc1Cl 4716413 NQIWJQGWHAGHTA-UKTHLTGXSA-N 277.201 4.286 30 40 CIEB C[C@H](Cc1cccs1)/N=C(/S)Nc1ccc(F)cc1 8692011 HDHWHRUHESYHRE-SNVBAGLBSA-N 294.420 4.216 30 40 CIEB C[C@H](CCc1ccccc1)/N=C(/S)NC1CCCCC1 13685999 QLBOKMKYCJPVNW-CQSZACIVSA-N 290.476 4.216 30 40 CIEB O=C1/C(=C/c2cccc(F)c2)CCc2ccccc21 16048959 OFAAPWXDZVKVFC-GXDHUFHOSA-N 252.288 4.038 30 40 CIEB O[C@@H]1c2ccccc2-c2ccc(/N=C/c3ccccc3)cc21 18145306 QRPSVFLMXQVQDM-TTYLXTBDSA-N 285.346 4.499 30 40 CIEB Cc1ccc(/C=C2/C(=O)[C@H]3CC[C@]2(C)C3(C)C)cc1 44790503 IFRCODNIQRHSLF-QVUXXXOXSA-N 254.373 4.404 30 40 CIEB C=C1[C@H]2CC[C@@H](C2)[C@@]1(C)CC/C=C(\C)COC(C)=O 103594408 RCFGRZLLBGMERD-UHFGFIBFSA-N 262.393 4.268 30 40 CIEB endogenous,in-man Cc1cc(C#N)c(C)n1-c1ccc(Cl)cc1Cl 223703650 WILRILMIEUQFRW-UHFFFAOYSA-N 265.143 4.273 30 40 CIEB COc1ccc([C@H]2C[C@@H]2/C(C)=N/OCc2ccccc2)cc1 5382291 WLQFTXQRMPDHMI-NNQCBQJCSA-N 295.382 4.391 30 40 CIEB CC(C)c1ccc(C(=O)/C=C/Nc2ccc(C#N)cc2)cc1 51318650 WEYZCDIXUOKGGX-VAWYXSNFSA-N 290.366 4.490 30 40 CIEB C=CCc1cc(CNc2cccc(C)c2C)cc(OC)c1O 76274738 PYZSYMLTGYWTGC-UHFFFAOYSA-N 297.398 4.358 30 40 CIEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1 620317795 YFQPMKGQWGHEJN-OKILXGFUSA-N 295.304 4.029 30 40 CIEB Cc1nc(SCc2ccccc2)c(C#N)c2c1CCCC2 552057 BLPGSEMFEPAOPF-UHFFFAOYSA-N 294.423 4.433 30 40 CIEB CCOc1ccccc1/C=N/c1ccc(C)c([N+](=O)[O-])c1 587521 ZUBSPYXETMYPEO-GZTJUZNOSA-N 284.315 4.053 30 40 CIEB CCc1ccc(N/C=C/C(=O)c2ccc(OC)cc2)cc1 2793814 URFPRIYPZDVOHR-OUKQBFOZSA-N 281.355 4.066 30 40 CIEB CC1=C[C@H]([C@@H]2/C(=N\O)C=C(C)CC2(C)C)[C@H](O)C(C)(C)C1 100134373 JFSZVSHUGZIAMG-BIRQVXSSSA-N 291.435 4.162 30 40 CIEB in-vitro CCCCCCCCCCCCO[S@](C)(=O)=S 100311581 UOJPDFXOEXAGPT-KRWDZBQOSA-N 280.499 4.215 30 40 CIEB CCC1=C/C(=N\O)C(C)=C[C@@]1(C)C(Cl)(Cl)Cl 104126845 AIYLMMFSRJXYHZ-KXUVPBGPSA-N 282.598 4.489 30 40 CIEB C/C(=N\NCc1ccc(Cl)cc1)c1ccc(C)c(C)c1 408711954 SFAVONKRWSXHMN-XSFVSMFZSA-N 286.806 4.471 30 40 CIEB C[C@@H]1CCc2c(sc(/N=C/c3ccc(O)cc3)c2C#N)C1 295575 BVNHQBCSENFMEM-VURRPDKYSA-N 296.395 4.201 30 40 CIEB CCc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1 4189840 FXWZEHMZRSJCQC-NTEUORMPSA-N 279.383 4.211 30 40 CIEB COc1ccc(C(=O)/C=C/c2cccc(Cl)c2)cc1 5210658 UNNQBOJITJAFMT-BJMVGYQFSA-N 272.731 4.245 30 40 CIEB C#CCOc1ccccc1/C=N/c1ccc(C)cc1C 8368790 CBDNNGXXMYKOOM-CPNJWEJPSA-N 263.340 4.066 30 40 CIEB CCCCOc1ccccc1/C=N/Nc1nc(C)cs1 12200840 SMKXCQOELDVWDH-MHWRWJLKSA-N 289.404 4.076 30 40 CIEB C[C@H](Nc1ncccc1C#N)c1cccc(C(F)(F)F)c1 25279904 IMBBLTPAWVISIW-JTQLQIEISA-N 291.276 4.145 30 40 CIEB CC(=O)Nc1ccc(/N=C\C=C/c2ccccc2)cc1 104087851 VBVIHTXIAIZPPN-OVOKOABASA-N 264.328 4.061 30 40 CIEB Cc1ccccc1[C@@H](C#N)[C@H](CC#N)c1ccccc1 133257 GFTNSHSIKCZDTP-QZTJIDSGSA-N 260.340 4.300 30 40 CIEB CC1(C)CC(=O)C2=C(C1)C[C@@]1(C)CC(C)(C)C[C@@]2(O)C1 344526 IJDSUFQMYUARCQ-ZWKOTPCHSA-N 276.420 4.023 30 40 CIEB Cc1cccc(/N=N/C(=N/Nc2cccc(C)c2)[N+](=O)[O-])c1 5257077 KGYCQZSGXKUFHU-KRFFEMNTSA-N 297.318 4.047 30 40 CIEB O/N=C1/CCCC[C@H]1[C@H](O)c1c(Cl)cccc1Cl 5640533 WQHCCBTXKDWWRJ-LNXNUVEUSA-N 288.174 4.047 30 40 CIEB CCc1ccc(/C=N/NCc2c(Cl)cccc2Cl)o1 9196709 DFVQDIHMWQPYFZ-CAOOACKPSA-N 297.185 4.273 30 40 CIEB CCCCCCC/C(=N\O)c1ccc(OC)cc1OC 100925718 DWIVHSMYEOQZNV-BMRADRMJSA-N 279.380 4.243 30 40 CIEB [N-]=[N+]=Nc1ccsc1C(=O)Nc1ccc(F)cc1F 199614918 DTVPGEHATXPGOC-UHFFFAOYSA-N 280.259 4.220 30 40 CIEB Cc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C)C3)o1 3228540 KSLYMBXLFFZIDL-SVXRXWARSA-N 284.384 4.397 30 40 CIEB CCCCCC[C@@](C#N)(CCN(C)C)c1ccccc1 5973152 RKDJJLXPCHGPJI-SFHVURJKSA-N 272.436 4.370 30 40 CIEB COc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1OC 8322578 SJVBDIUEYHTAHL-PKNBQFBNSA-N 296.366 4.217 30 40 CIEB CCCCC/C=C\C(=O)CCc1ccc(O)c(OC)c1 13887692 OQWKEEOHDMUXEO-FPLPWBNLSA-N 276.376 4.039 30 40 CIEB endogenous,in-man N#C[C@@H](C(=O)/C=C/c1cccc2ccccc12)c1ccccn1 49457334 YOFOOQSYQCZHAZ-IENJSVCTSA-N 298.345 4.124 30 40 CIEB Clc1ccc(/C=N/c2cccnc2Cl)cc1 68603043 JUEWCFVCZWOABU-LZYBPNLTSA-N 251.116 4.139 30 40 CIEB FC(F)(F)OCCCC(F)(F)C(F)(F)C(F)(F)F 1565659643 UOQPEIMEHOZDSM-UHFFFAOYSA-N 296.104 4.136 30 40 CIEB C=CCN(Cc1ccccc1F)C(=O)Nc1ccccc1 377086 RVJRJMKUFBMCEP-UHFFFAOYSA-N 284.334 4.046 30 40 CIEB C=C(C)/C(=N/c1cccc(Cl)c1)NC(C)(C)C 1572240 RVXWRMNDUZCDPB-UHFFFAOYSA-N 250.773 4.334 30 40 CIEB Fc1ccc(/C=N/Nc2nc3ccccc3s2)c(F)c1 5161288 PIOFNSDKNNNJPG-CAOOACKPSA-N 289.310 4.021 30 40 CIEB O=C(Cc1ccccc1)C1=C[C@@H]2Cc3ccccc3[C@@H]2C=C1 5871930 CASFQXBBJUEWGA-AZUAARDMSA-N 286.374 4.251 30 40 CIEB CCc1cc2c(SCCCCC#N)ncnc2s1 7985755 UITDEUPCPVEUPU-UHFFFAOYSA-N 277.418 4.040 30 40 CIEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N/O 36493621 XLJMBRPBVDJBPJ-RHXQINKRSA-N 285.387 4.079 30 40 CIEB N#Cc1ccc(CC(O)(c2ccccc2)c2ccccc2)cc1 1662372 XEERADXKZMFPDF-UHFFFAOYSA-N 299.373 4.037 30 40 CIEB CC(C)(C)Oc1ccc(C#C[C@@](C)(O)c2ccccc2)cc1 95631449 JMIZIBJFXCJGMB-HXUWFJFHSA-N 294.394 4.123 30 40 CIEB C=CC[N+]1(C[C@@H]2[C@@H](C)C=C(C)C[C@@H]2C)CCCCC1 103140721 UDMJNZRMOVJSLS-OKZBNKHCSA-N 262.461 4.412 30 40 CIEB CC[C@@H](C)n1c(C#N)cc(N)c1Oc1ccccc1Cl 225881036 WZBAMAJTEQUVEY-SNVBAGLBSA-N 289.766 4.359 30 40 CIEB O=[N+]([O-])c1cc(/C=N\c2ccccc2F)ccc1Cl 409107374 RGHJIEQYQDSCGB-PXNMLYILSA-N 278.670 4.138 30 40 CIEB CCCCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 5459659 MKRJGZVQGFWXFS-LLVKDONJSA-N 290.432 4.263 30 40 CIEB C=CCNC(=S)Nc1cc(Cl)c(Cl)cc1Cl 6262047 MNASEEDFESCNNY-UHFFFAOYSA-N 295.622 4.119 30 40 CIEB Cc1ccc(C)c(/C=N/Nc2ccc3ccccc3n2)c1 6330736 DNIDGTHKBMXIBD-XDHOZWIPSA-N 275.355 4.298 30 40 CIEB COc1ccc(/C=N/c2ccccc2)cc1Br 8160165 KZQPICOGIUPATH-MHWRWJLKSA-N 290.160 4.208 30 40 CIEB CCCCCCCCN1CCN(Cc2ccccc2)CC1 22789245 MCFKPFAQHDAERA-UHFFFAOYSA-N 288.479 4.165 30 40 CIEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(C)(C)C)cc1 620316792 IJHCXIDWMMFPHA-CALCHBBNSA-N 283.415 4.307 30 40 CIEB O=C(/C=C/Sc1nc2ccccc2o1)c1ccc(F)cc1 174402 GWWQPESKLSAHON-MDZDMXLPSA-N 299.326 4.456 30 40 CIEB O=C1C(Cl)=C(Cl)C(=O)c2cc(Cl)c(Cl)cc21 1606683 JOHBAPGYFHJNAD-UHFFFAOYSA-N 295.936 4.062 30 40 CIEB C=C[C@@](C)(O)C[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]21C 3902348 HTYVNKCNBDAITQ-ZPKKHLQPSA-N 294.479 4.307 30 40 CIEB COc1cccc(/C=N/c2ccc(C(C)C)cc2)c1O 5287183 IVRMRNDHXXDMFT-WOJGMQOQSA-N 269.344 4.275 30 40 CIEB Cc1cc(C)c(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1C 5868382 KFPAGPZQZQHJQQ-OAHLLOKOSA-N 293.366 4.134 30 40 CIEB CCc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1 32114434 KUOAMXFUESVLQW-MDWZMJQESA-N 266.340 4.154 30 40 CIEB C=C(C)C/C=C(/COCCC#N)[Si](C)(CC)CC 195793821 UGRCQZHOEVBZDZ-GDNBJRDFSA-N 265.473 4.467 30 40 CIEB Cc1ccc(C(=O)/C=C/Nc2cc(C)ccc2C)cc1 4550707 TXUNHEYROPDSGL-ZHACJKMWSA-N 265.356 4.420 30 40 CIEB O=C(/C=C/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 5515450 WFHDZEXYKKDSCB-REZHQCRGSA-N 279.295 4.047 30 40 CIEB Cc1c(C(=O)Nc2ccc(CC#N)cc2)oc2ccccc12 8769582 VCKAJDPKZRESGX-UHFFFAOYSA-N 290.322 4.060 30 40 CIEB C=C(C)[C@@H]1CC[C@]2(C)OC(=O)N(Cc3ccccc3)[C@@]12C 15188141 XOTQEYORQKZSOE-SZMVWBNQSA-N 285.387 4.142 30 40 CIEB Cc1cc(N/N=C/c2ccc(F)cc2)c2ccccc2n1 41127772 OWZCEWAAXCVRJO-YBFXNURJSA-N 279.318 4.128 30 40 CIEB CC[C@H](C)n1c(C#N)cc(N)c1Cc1ccc(Cl)cc1 225852781 SVLAVVYQYQDEFH-NSHDSACASA-N 287.794 4.157 30 40 CIEB CCn1c(/N=C/c2ccccc2Cl)nc2ccccc21 227979 YYUOXLJFKPXHEE-WOJGMQOQSA-N 283.762 4.460 30 40 CIEB Clc1ccccc1/C=N\Nc1nc2ccccc2s1 4713262 VARDUVFBMGLZML-SXGWCWSVSA-N 287.775 4.396 30 40 CIEB CN1CC=C(/C=C/c2ccc(C#Cc3ccccc3)cc2)CC1 5002427 XFIOYZQCXIHFFE-BUHFOSPRSA-N 299.417 4.362 30 40 CIEB C=CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 8073429 RQYOKXMCBXLDFV-UHFFFAOYSA-N 281.355 4.121 30 40 CIEB N#CCc1ccc(NC(=O)c2cc3ccccc3s2)cc1 15030352 YYRVEWQXHUDRLF-UHFFFAOYSA-N 292.363 4.220 30 40 CIEB Cc1ccccc1/N=C1/SCC(=O)N1c1ccccc1C 100104366 CJSLWSKTENNCHR-ISLYRVAYSA-N 296.395 4.071 30 40 CIEB C=CCOc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1 222903622 CTOPOABKWPMCCN-UHFFFAOYSA-N 281.355 4.121 30 40 CIEB COc1cc2c(cc1C#N)[C@H](C)CC(C)(C)N2C(C)C 223776854 OKTHITLRXPSLGL-GFCCVEGCSA-N 272.392 4.067 30 40 CIEB Cc1sc(NC(=O)N[C@H](C)c2ccccc2)c(C#N)c1C 24562106 DLDAXDBGDKMFHR-LLVKDONJSA-N 299.399 4.119 30 40 CIEB C=CCOc1ccc(CNCCCCCCC)cc1OC 100126298 ZTVSZYATXFKMLD-UHFFFAOYSA-N 291.435 4.320 30 40 CIEB Cc1c(Cl)cccc1/N=C/c1ccccc1[N+](=O)[O-] 273912 FVGIBKXAWUAUTK-CXUHLZMHSA-N 274.707 4.307 30 40 CIEB Cc1ccc(/N=C/c2ccc(N(C)C)cc2)c(C)c1 2166667 LENUXNNACZQFKE-LDADJPATSA-N 252.361 4.120 30 40 CIEB N#Cc1c(Cl)c2ccccc2n2c1nc1ccccc12 12633061 DGLPNHDYUHQAND-UHFFFAOYSA-N 277.714 4.166 30 40 CIEB O=C1/C(=C/c2ccccc2)CSC/C1=C/c1ccccc1 17835827 QVYZIRHMCZTVNT-MJZABRMRSA-N 292.403 4.470 30 40 CIEB N#Cc1ccc(OCc2cccc(Cl)c2)c(Cl)c1 42207767 ZXMIZOHNETYLQZ-UHFFFAOYSA-N 278.138 4.444 30 40 CIEB C=C(Cl)CCc1cc(Br)ccc1OC 43209524 DGYZAHJCGLPUEP-UHFFFAOYSA-N 275.573 4.143 30 40 CIEB CCCCCCCCCCN1C(=O)c2ccccc2C1=O 84596269 HJPUPXDCUZMNME-UHFFFAOYSA-N 287.403 4.423 30 40 CIEB FC(F)(F)Oc1ccccc1/C=N/Cc1ccccc1 100300595 RWQGIRNUWZNNCN-YBFXNURJSA-N 279.261 4.204 30 40 CIEB CC[C@@H](C)n1c(C#N)cc(N)c1Oc1cccc(C)c1 225879861 SSYVNVPDQLLURS-GFCCVEGCSA-N 269.348 4.014 30 40 CIEB C=CCNCc1cccc(OCc2ccc(Cl)cc2)c1 6855921 FCOYJYAEUDTOJO-UHFFFAOYSA-N 287.790 4.195 30 40 CIEB CCCC[C@@H](CC)[C@H](O)C#Cc1ccc(Cl)c(F)c1 95633364 REIYEFWLIIXDHJ-CZUORRHYSA-N 282.786 4.408 30 40 CIEB Cc1ncc(N=C(O)c2cccc(Cl)c2Cl)s1 330033145 WNXFANYLXAIACR-UHFFFAOYSA-N 287.171 4.395 30 40 CIEB Cc1c(Cl)cccc1/N=C/c1ccc(O)c([N+](=O)[O-])c1 408964408 RJPWGHHFSVSRRD-LZYBPNLTSA-N 290.706 4.013 30 40 CIEB Cn1c(CSCc2ccccc2)c(C#N)c2ccccc21 54889 LCDFVAQNPVHEHP-UHFFFAOYSA-N 292.407 4.483 30 40 CIEB FC(F)(F)Oc1ccc(/N=C/c2ccsc2)cc1 3241642 VQWXSBLEGWHUQH-FRKPEAEDSA-N 271.263 4.397 30 40 CIEB O=C1C(OCc2ccccc2)=CC/C1=C\c1ccccc1 5048852 SDNLBHFDMVVQTH-GHRIWEEISA-N 276.335 4.144 30 40 CIEB Clc1ccc(/C=N\Nc2nc3c(s2)CCCC3)cc1 31854619 ATPZEWMEHIRCTM-SXGWCWSVSA-N 291.807 4.121 30 40 CIEB CC[C@@H](C)n1c(C#N)cc(N)c1Sc1ccc(C)cc1 225888257 MJUAXOOBHTWHTL-GFCCVEGCSA-N 285.416 4.373 30 40 CIEB N#Cc1ccc(/C=C/C(=O)c2cc3ccccc3o2)cc1 5129511 NFWATMWJBZPRDU-MDZDMXLPSA-N 273.291 4.201 30 40 CIEB COc1cccc(/C=N/Nc2ccc(C)c(Cl)c2)c1 5866589 FQZISNXEKUSQIF-LICLKQGHSA-N 274.751 4.103 30 40 CIEB Cc1ccc(C[C@@H](C#N)Sc2nc3ccccc3o2)cc1 6587556 HRTBTMCUIXODEZ-AWEZNQCLSA-N 294.379 4.363 30 40 CIEB CN(Cc1ccccc1C#N)[C@H]1CCCc2ccccc21 16342872 YMHNBXVLLFRRFO-IBGZPJMESA-N 276.383 4.068 30 40 CIEB CC(=O)C1=C(C)OC(C)=C[C@@]12Nc1cc(C(C)C)ccc1O2 40546398 CJMYLQQRJGCHSC-SFHVURJKSA-N 299.370 4.108 30 40 CIEB CCCC[C@@H](CC)[C@@H](O)C#Cc1cc(C)cc(C)c1 95633042 OTPYSEKPSQCBAF-MSOLQXFVSA-N 258.405 4.232 30 40 CIEB O=C(/C=C/c1ccccc1)c1ccc(Cl)c(F)c1 575357940 LKTSPXYXBCVZBO-RMKNXTFCSA-N 260.695 4.375 30 40 CIEB CCCCc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 1882307 QLWXQKBNSDUZNI-LDADJPATSA-N 298.342 4.394 30 40 CIEB COc1ccc(C(C)=NNc2nc3ccccc3s2)cc1 4380405 ZVDSAIAXLVLLBK-UHFFFAOYSA-N 297.383 4.141 30 40 CIEB O=C1C(O)=Cc2cccc3ccc(-c4ccc(O)cc4)c1c23 14504316 HTELDEYOMOTOBI-UHFFFAOYSA-N 288.302 4.308 30 40 CIEB endogenous,in-man CC[C@H](C)C(=O)Nc1cccc(C#Cc2cccs2)c1 25754507 JRSNRSYSNVHWES-ZDUSSCGKSA-N 283.396 4.133 30 40 CIEB CCCC[C@H](CC)[C@H](O)C#Cc1cc(C)ccc1C 95633555 OFHCMNFMIYMWBD-FUHWJXTLSA-N 258.405 4.232 30 40 CIEB N#Cc1cccc(Cn2ccc(-c3cc4ccccc4o3)n2)c1 216689897 BEXDSEACHASLBH-UHFFFAOYSA-N 299.333 4.216 30 40 CIEB Cc1cc(C#N)cc(C)c1OC(=O)c1ccc(Cl)cc1 256052453 NJXFXMWHQUWHPH-UHFFFAOYSA-N 285.730 4.048 30 40 CIEB CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OC 6960449 MMCRBKUAUVSUHL-XDHOZWIPSA-N 283.371 4.461 30 40 CIEB C#CCOc1ccc(/C=N/c2cccc(Cl)c2C)cc1 8277968 QRMVNYTYOYYJNH-XDHOZWIPSA-N 283.758 4.411 30 40 CIEB CCOP(=O)(OCC)O/N=C(\c1ccccc1)C(C)C 16951314 KIFSAHNRILOFLT-PFONDFGASA-N 299.307 4.244 30 40 CIEB C(#CCN1CCCC1)C=C(c1ccccc1)c1ccccc1 20792645 JAGMRZRACIZTIH-UHFFFAOYSA-N 287.406 4.218 30 40 CIEB C=CCOc1ccc(C(=S)N2CCCCC2)cc1Cl 33617826 QAJMRZVJXRVXJM-UHFFFAOYSA-N 295.835 4.066 30 40 CIEB CC(=O)[C@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1 38303978 WRFZHBDIMXEUTQ-KRWDZBQOSA-N 283.758 4.127 30 40 CIEB O=C(/C=C/c1csc(-c2cccs2)n1)c1cccnc1 71796351 JXEWZKWRYMFXJW-AATRIKPKSA-N 298.392 4.163 30 40 CIEB CCCCC1=C(O)c2cccc3ccc(O)c(c23)C1=O 100018494 KZQMWQXWMJYMHY-UHFFFAOYSA-N 268.312 4.201 30 40 CIEB Cc1nn(-c2ccccc2)c(C)c1/N=C/c1ccccc1 408976740 RXMFWQLFZDGYDJ-CPNJWEJPSA-N 275.355 4.240 30 40 CIEB CCc1ccc(O)c(/N=C/c2cc(Cl)ccc2O)c1 225260 ROTLZBBZDYQQEG-RQZCQDPDSA-N 275.735 4.064 30 40 CIEB Cc1ccc2nc(Oc3ccc(C=O)cc3)c(C#N)cc2c1 422131 PLNQBCKOLIBORU-UHFFFAOYSA-N 288.306 4.020 30 40 CIEB CCN(CC)c1ccc(/C=N/c2ccccc2C)c(O)c1 13125573 YWIYAJSNXJFNJU-CPNJWEJPSA-N 282.387 4.297 30 40 CIEB O=C1C(=C2SCS2)CCC/C1=C\c1ccccc1 51329777 GOQGRTAVTIBSNN-FMIVXFBMSA-N 274.410 4.472 30 40 CIEB C=CCN1[C@H](c2ccccc2)C[C@]2(C)/C(=N/O)CCCC[C@H]12 212418532 CCAIZPFMNOXQFF-GCYJDHDUSA-N 298.430 4.399 30 40 CIEB COc1ccc(C/N=C\c2cccn2-c2ccccc2)cc1 408855870 GESGVIFFNIGYOV-HKWRFOASSA-N 290.366 4.105 30 40 CIEB CSc1ccc(/C=N/c2cccc([N+](=O)[O-])c2C)cc1 66153 VMXCSHQSSQVKAC-MHWRWJLKSA-N 286.356 4.376 30 40 CIEB Cc1cccc(/N=C2\N=C(O)/C(=C/c3cccnc3)S2)c1 1253974 KVANVINNWMKRBI-ZROIWOOFSA-N 295.367 4.122 30 40 CIEB O=C(/C=C/c1ccccc1F)c1cc(Cl)ccc1O 4279023 WUJADWVYJCZWRM-FNORWQNLSA-N 276.694 4.081 30 40 CIEB O=C(/C=C\Nc1ccc(Cl)cc1)c1cccs1 6926689 FONKUHVZMJBKJF-FPLPWBNLSA-N 263.749 4.210 30 40 CIEB C/C(=N/O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1 17886592 PAYHQBXWKKHYKV-PIZMTNANSA-N 282.347 4.366 30 40 CIEB N#Cc1ccccc1CNc1cc(Cl)ccc1Cl 20038857 LHPGKARYYPGWQP-UHFFFAOYSA-N 277.154 4.477 30 40 CIEB CC[C@@H](C)C[C@@](C)(O)C#Cc1cccc(Cl)c1C 95631564 YBROSYPIHNQFQL-WBMJQRKESA-N 264.796 4.187 30 40 CIEB CC(=NO)c1cc(C(C)(C)C)cc2c1CCC2(C)C 254397668 GXCYRUOTOFUODM-UHFFFAOYSA-N 259.393 4.406 30 40 CIEB CCc1ccccc1N/C(C)=C/C(=O)c1ccc(C)o1 409353650 PBVVPGJCCSZEKZ-VAWYXSNFSA-N 269.344 4.349 30 40 CIEB CC(=O)c1cccc(/N=C/c2c(C)[nH]c3ccccc23)c1 68921 UNMXAOVGDVHXHB-YBFXNURJSA-N 276.339 4.430 30 40 CIEB N#Cc1c(/N=C/c2ccccc2)sc2c1CCCC2 239134 PEJFIJKXDWYKHM-WOJGMQOQSA-N 266.369 4.249 30 40 CIEB C/C(=N/N=C(c1ccccc1)c1ccccc1)c1ccncc1 6157530 FSVZVNKUOVWIOB-JWGURIENSA-N 299.377 4.343 30 40 CIEB N#CCOc1ccccc1/C=C/c1ccc2ccccc2n1 16404874 YJWIKRGSXLYXOT-ZRDIBKRKSA-N 286.334 4.308 30 40 CIEB CC/C(=N\N=C(/CC)c1ccccc1O)c1ccccc1O 17014934 VPFUDKUZTSIJRY-MXWIWYRXSA-N 296.370 4.111 30 40 CIEB COc1ccc2nc(N=C(SC)SC)sc2c1 57352490 PVVGZJCGSRCUET-UHFFFAOYSA-N 284.431 4.018 30 40 CIEB CCCC[C@H](CC)[C@H](O)C#Cc1cc(Cl)ccc1OC 95631525 JCADREQFGPTGQD-XJKSGUPXSA-N 294.822 4.277 30 40 CIEB N#Cc1ccc(-c2ccc(/C=N/Cc3ccccc3)o2)cc1 409022452 OOEOETRIYMYHQM-KGENOOAVSA-N 286.334 4.437 30 40 CIEB COc1cccc(/C=C2/CCCc3ccccc3C2=O)c1 16958926 NALDNRRPUWIPLG-VBKFSLOCSA-N 278.351 4.298 30 40 CIEB CCCc1c(N)cc(C#N)n1Cc1cccc2ccccc12 225857008 PPRKUSYKRVIILK-UHFFFAOYSA-N 289.382 4.096 30 40 CIEB OC(/C=C\C=Nc1ccccc1)=C\Nc1ccccc1 255003900 FRTAERDOEYOBNW-YAGVCSKBSA-N 264.328 4.457 30 40 CIEB C=CCCCCOc1ccc(Br)cc1F 308816039 VFWVPUZKIDAQTH-UHFFFAOYSA-N 273.145 4.323 30 40 CIEB C=C(Br)Cc1ccc(OC(F)(F)F)cc1F 1848444236 ARRBTNDALPSZQB-UHFFFAOYSA-N 299.061 4.175 30 40 CIEB CCN(CC)c1ccc(/N=C/c2ccc3c(c2)OCO3)cc1 96278 MKZYERHRRMWBNN-XDHOZWIPSA-N 296.370 4.012 30 40 CIEB [O-][N+](=C(c1ccccc1)c1ccccc1)c1ccccc1 1686891 WYRCRWYYHOUDLM-UHFFFAOYSA-N 273.335 4.366 30 40 CIEB O=C(/C=C\C=C\c1ccccc1)c1ccc([N+](=O)[O-])cc1 4582339 KPBBTVNQTLCPTB-HXGSSHHBSA-N 279.295 4.047 30 40 CIEB C/C(=N\Nc1ccccn1)c1ccc(C(C)(C)C)cc1 5688910 UGUROOWMZKWVQZ-CPNJWEJPSA-N 267.376 4.215 30 40 CIEB C=C(C)[C@@H]1Cc2c(C)nn(-c3cccc4cccnc34)c2C1 506727 DAKGDESRUMIVGG-OAHLLOKOSA-N 289.382 4.020 30 40 CIEB O=C(/C=C/c1cccnc1)c1ccc2cccc3c2c1CC3 12544071 YAQIEZPPWCLVIP-IZZDOVSWSA-N 285.346 4.230 30 40 CIEB C[C@H](N[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccc(C#N)cc1 19963229 SMHNKTWBEJEXEW-VWPFQQQWSA-N 256.393 4.034 30 40 CIEB CCCCCCCCCCCCN1C[C@H](C)OCC1=O 68564793 ZHICMDABZQWGEC-INIZCTEOSA-N 283.456 4.155 30 40 CIEB O=C(C=C1SCCS1)/C=C\c1ccc(Cl)cc1 1630824 KRLVHPDIDCYCJD-UTCJRWHESA-N 282.817 4.244 30 40 CIEB CCOC(=O)[C@H](C#N)C(CC)(CC)C1CCCCC1 1680302 KMFTUAGELRXBPH-AWEZNQCLSA-N 265.397 4.076 30 40 CIEB Clc1ccc(/C=N\CCc2c[nH]c3ccccc23)cc1 4566537 NTDMPHJZQJGEFC-ODLFYWEKSA-N 282.774 4.483 30 40 CIEB Cc1cc(C)c(/C=N/Nc2nc3ccccc3o2)c(C)c1 4966017 VOOFXUBMPZVJTL-VCHYOVAHSA-N 279.343 4.199 30 40 CIEB COc1ccc(C)cc1[C@H](C)Nc1ccccc1C#N 19921758 BISDOZZINPQURW-ZDUSSCGKSA-N 266.344 4.048 30 40 CIEB N#Cc1nc(-c2ccccc2)oc1Sc1ccccc1 27663262 RFIWQVRQYGSDNL-UHFFFAOYSA-N 278.336 4.364 30 40 CIEB C=CCOc1ccccc1CNc1cc(C)ccc1C 37215961 GVHHBWMNAOIWCX-UHFFFAOYSA-N 267.372 4.480 30 40 CIEB Oc1ccc(Cl)cc1/C=N/Cc1ccc(Cl)cc1 44835594 GUWJGODELBZQEH-RQZCQDPDSA-N 280.154 4.318 30 40 CIEB F/C=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103529983 XBCWZRARCMLNAN-UPHRSURJSA-N 282.052 4.235 30 40 CIEB Cc1ccc(C(=O)/C=C/C(Cl)(Cl)Cl)cc1 158127 TZWAXFZQMXKOHK-VOTSOKGWSA-N 263.551 4.104 30 40 CIEB C=CC[C@@H](Nc1ccc(OC)c(OC)c1)c1ccco1 279360 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DBQLVOPQWCHCRZ-RKDSPFTASA-N 299.443 4.261 30 40 CIEB CCCCCCCCCCSc1nnc(C)c(O)n1 97957240 UXHWSFZAOFGFBB-UHFFFAOYSA-N 283.441 4.118 30 40 CIEB CCC[C@H](C)/C(N)=N/c1ccc(Cl)c(Cl)c1 2043304 HECKUDRRSNVBMM-QMMMGPOBSA-N 259.180 4.418 30 40 CIEB O=C(/C=C/c1cccc(Cl)c1)c1ccc(F)cc1 5128598 YHHLZRMUSLSPPY-RUDMXATFSA-N 260.695 4.375 30 40 CIEB CCCN(CC#Cc1cc(Cl)ccc1C)CCC 95631754 ACGHYZJMKFUZLH-UHFFFAOYSA-N 263.812 4.122 30 40 CIEB CCCCCC[C@](C)(O)C#Cc1ccc(F)c(C)c1 95632368 ZKIWWPKWXUQTCQ-KRWDZBQOSA-N 262.368 4.207 30 40 CIEB C(#Cc1ccc(/C=N/c2nccs2)cc1)c1ccccc1 286758 GNMJUNPGRYGDIM-XSFVSMFZSA-N 288.375 4.294 30 40 CIEB [O-][N+](=C1c2ccccc2-c2ccccc21)c1ccccc1 1728807 QOTXMYGWPKHVDP-UHFFFAOYSA-N 271.319 4.346 30 40 CIEB N#Cc1ccc(C(=O)Oc2cccc(Cl)c2Cl)cc1 3329308 QYIYTYZMEMSGSC-UHFFFAOYSA-N 292.121 4.084 30 40 CIEB CC1=C[C@H]([C@@H]2/C(=N/O)C=C(C)CC2(C)C)[C@H](O)C(C)(C)C1 4792237 JFSZVSHUGZIAMG-ZOJDDUOPSA-N 291.435 4.162 30 40 CIEB in-vitro Oc1ccc(Cl)cc1/C=N/c1ccc(F)cc1F 5287403 ZSOUVNQTXVLMKB-REZTVBANSA-N 267.662 4.074 30 40 CIEB C/C(=N/Nc1nc2ccccc2[nH]1)c1cc(C)ccc1C 34877487 IOLPCLDALJINKP-MOSHPQCFSA-N 278.359 4.016 30 40 CIEB C=C(C)CN(CC)C(=O)C1(c2cc(C)cc(C)c2)CCC1 84761259 ZEQBHTYXSBFAET-UHFFFAOYSA-N 285.431 4.150 30 40 CIEB CC[C@@H](C(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 64663 UXMHTKFSLHWTPM-CQSZACIVSA-N 298.411 4.369 30 40 CIEB Cc1cc(-c2ccccc2)n2c(nc3ccccc32)c1C#N 186865 KFFDGGFATMJFFC-UHFFFAOYSA-N 283.334 4.335 30 40 CIEB CCC(=N\O)/C(=N/O)c1ccc(C2CCCCC2)cc1 6201686 OCCRYEALWYIORX-YTEMWHBBSA-N 274.364 4.153 30 40 CIEB Cc1cccc(N2CCC/C2=N\c2ccccc2C#N)c1 13305320 LNLWKEHLJDQOSI-CZIZESTLSA-N 275.355 4.197 30 40 CIEB N#Cc1cccc2c1-c1ccccc1/C2=N\Nc1ccccc1 13564359 OKZBTGRMRLMDCD-BSYVCWPDSA-N 295.345 4.403 30 40 CIEB CC(C)N(Cc1ccccc1)/C(S)=N\Cc1ccccc1 13683847 KWUIUDSFSWFPDU-UHFFFAOYSA-N 298.455 4.383 30 40 CIEB C/C(=N\Nc1ccc2ccccc2n1)c1ccccc1 14009653 DKQDGZRUPWVTAE-CPNJWEJPSA-N 261.328 4.071 30 40 CIEB C=C(Br)Cc1ccc(C(F)(F)F)cc1 71795140 CJALFSDAFJRMEW-UHFFFAOYSA-N 265.072 4.157 30 40 CIEB C#CCCCCN[C@H](C)c1ccc(SC)c(F)c1 90398477 AVNWHYCCGCRIBG-GFCCVEGCSA-N 265.397 4.002 30 40 CIEB N#CCCCCCOc1ccc(Br)cc1F 95733962 SHSYMMHVQQVVIC-UHFFFAOYSA-N 286.144 4.051 30 40 CIEB C[C@H]1/C(=N\O)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 4713342 WRZFUOOSXMQGBT-QLDOSPRUSA-N 294.398 4.271 30 40 CIEB c1ccc2sc(NN=C3CCCCCC3)nc2c1 5161241 SHCZYNHWHJHQTP-UHFFFAOYSA-N 259.378 4.418 30 40 CIEB O=C(/C=C\c1cccc2ccccc12)c1ccccn1 5808833 AAVWDHRTGKVFBW-QXMHVHEDSA-N 259.308 4.131 30 40 CIEB CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OC 6960447 JKDPCCGRFYQMCK-XDHOZWIPSA-N 283.371 4.461 30 40 CIEB O=C(/C=C/c1ccsc1)c1cccc(Br)c1 13140795 PZXFLTNSYRAEJC-SNAWJCMRSA-N 293.185 4.407 30 40 CIEB CCOc1cccc(/C=N/c2cc(C)ccc2C)c1O 22726596 KPGLLLFNBDYKGH-WOJGMQOQSA-N 269.344 4.158 30 40 CIEB C=C(Br)Cc1ccc(O[C@@H]2CCCCO2)cc1 43208755 UNBYIUXWSXUGBF-CQSZACIVSA-N 297.192 4.043 30 40 CIEB N#CCCCCCOc1ccc(Br)c(F)c1 95738528 IJESYOZUOWEEKQ-UHFFFAOYSA-N 286.144 4.051 30 40 CIEB CCCCCCCNC(=S)Nc1ccccc1F 97960056 JCQAOASVQKLXKQ-UHFFFAOYSA-N 268.401 4.083 30 40 CIEB C=C/C=C\C(C(F)(F)F)(C(F)(F)F)C(F)(F)F 100035891 NRFBLIGDSNBZBX-ARJAWSKDSA-N 272.110 4.402 30 40 CIEB C(=N\c1ccc2c(c1)Cc1ccccc1-2)\c1ccncc1 104180991 SDAGKFDAWUMFIA-BKUYFWCQSA-N 270.335 4.403 30 40 CIEB CCc1ccc(/N=C/c2cc(OC)c(OC)cc2C)cc1 408548397 HQTTWMZCXCRCAI-XDHOZWIPSA-N 283.371 4.325 30 40 CIEB COc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1 295780 CUEXSWMMNGECDD-YBFXNURJSA-N 296.395 4.258 30 40 CIEB C/C(=N\Nc1ccccn1)c1ccc(C(C)C)cc1 5687998 GDYPXRJCDWSIJK-QGOAFFKASA-N 253.349 4.041 30 40 CIEB Cc1cc(SCc2ccc(C#N)cc2)nc(C(C)C)n1 9970611 XFCOUMCNJOEHNP-UHFFFAOYSA-N 283.400 4.072 30 40 CIEB [N-]=[N+]=Nc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1 12558354 XCGUFPIJBMIWSJ-UHFFFAOYSA-N 289.298 4.294 30 40 CIEB O=C(/C=C/c1ccc(Cl)s1)c1ccc2c(c1)OCO2 14176169 DWQGJOLBSCWJDL-DUXPYHPUSA-N 292.743 4.026 30 40 CIEB Cc1cc(C)cc(/N=C/c2ccc([N+](=O)[O-])s2)c1 18284123 SITBMQSCSLWFPR-RIYZIHGNSA-N 260.318 4.024 30 40 CIEB Cc1cc(O)c(C(C)C)cc1/N=C\c1cccc([N+](=O)[O-])c1 104345108 LEBRGRJPDCEDGV-ZDLGFXPLSA-N 298.342 4.483 30 40 CIEB C=CCOc1c(Br)cc(C(C)(C)C)cc1C=O 225276292 KIWJOYKMLLVEFX-UHFFFAOYSA-N 297.192 4.124 30 40 CIEB C=CCNc1nnc(SCc2cc(C)ccc2C)s1 5784726 VMFZUWGFDSHJLV-UHFFFAOYSA-N 291.445 4.045 30 40 CIEB COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1 6552184 ROVBNRFSFCNAFE-MDZDMXLPSA-N 272.731 4.245 30 40 CIEB Cc1ccc2nc(SCc3ccc(C#N)cc3)[nH]c2c1 9667975 ZOKHEZGPFNFYBN-UHFFFAOYSA-N 279.368 4.035 30 40 CIEB N#CC1(N[C@H](Cc2ccccc2)c2ccccc2)CCCC1 31729026 TUWNLCIPDGATAK-LJQANCHMSA-N 290.410 4.396 30 40 CIEB CCc1ccc(/N=C(/NC2CC2)c2ccccc2)cc1 35731268 LHZJMSCOFKKIBG-UHFFFAOYSA-N 264.372 4.079 30 40 CIEB N#CCCSc1ccccc1/N=C\c1ccccc1O 104191808 KGSGHAXKDKKCTB-PDGQHHTCSA-N 282.368 4.149 30 40 CIEB O=C(O/N=C1\CCC\C1=C\c1ccccc1)c1ccccc1 104281844 YLFWHGYQKGQRHV-RWDYQQOESA-N 291.350 4.467 30 40 CIEB CCCCn1c(C#N)cc(N)c1Oc1cccc(Cl)c1 225881601 ZNHHVDFGLSLKDM-UHFFFAOYSA-N 289.766 4.188 30 40 CIEB O/N=C1\C[C@H](c2ccccc2)Oc2ccc(Cl)cc21 6061977 BXFSXGPNJNTWDP-OVGFGYAMSA-N 273.719 4.042 30 40 CIEB CCc1c(C)sc(NC(=O)CCC2CCCC2)c1C#N 6122840 XTPVXISYBWUVQJ-UHFFFAOYSA-N 290.432 4.400 30 40 CIEB Cc1ccc(/C=C/C(=O)c2ccc(-n3ccnc3)cc2)s1 6276139 OMTMFAOKZZLGIN-CMDGGOBGSA-N 294.379 4.138 30 40 CIEB CCCC[C@H](CC)[C@@H](O)C#Cc1cccc(C)c1C 95632025 JRTJIQBZGLYEMI-WMZOPIPTSA-N 258.405 4.232 30 40 CIEB Oc1ccccc1/C=N/c1cccc(C(F)(F)F)c1 96034874 CZMNFSJFHBHPIQ-GIJQJNRQSA-N 265.234 4.162 30 40 CIEB CCOc1cccc(/C=N\c2ccc(CC)cc2)c1 409210069 DIRCFNPIYDEIOE-AQTBWJFISA-N 253.345 4.398 30 40 CIEB COc1ccc(Cl)cc1/N=C/c1ccc(C)s1 3229259 PBPMEZUHUGQQSK-OVCLIPMQSA-N 265.765 4.469 30 40 CIEB Cc1ccc(/N=C/c2ccc(O)c(Br)c2)cc1 5543285 JNQKLNYTQNVPSC-CXUHLZMHSA-N 290.160 4.214 30 40 CIEB CCCC/C=C/[C@@](F)(OC(F)(F)F)C(F)(F)F 16125639 HCIFORKBCMJRGT-WEWAHIQMSA-N 268.172 4.497 30 40 CIEB Cc1ccc(Cl)cc1/N=C/c1cccc([N+](=O)[O-])c1O 409088340 LEOXREZAVUUXMO-LZYBPNLTSA-N 290.706 4.013 30 40 CIEB CCC(C)(C)[C@H]1CCc2c(sc(NC(C)=O)c2C#N)C1 483423 KGDFGAMLMQZVAV-NSHDSACASA-N 290.432 4.119 30 40 CIEB N#Cc1ccccc1CC(=O)c1cccc(C(F)(F)F)c1 2393058 OYFORLDRXUOUPK-UHFFFAOYSA-N 289.256 4.002 30 40 CIEB C#CCOc1ccc(/C=N/c2ccc(C)cc2C)cc1OC 8368679 GGBAQLWWBCRDOW-DEDYPNTBSA-N 293.366 4.075 30 40 CIEB O=[N+]([O-])c1ccc(/N=C\c2c(O)ccc3ccccc23)cc1 17951405 OFXWURJGINWIEW-WQRHYEAKSA-N 292.294 4.204 30 40 CIEB C/C(=C\C(=O)c1ccc(C)cc1)Nc1ccc(F)c(F)c1 33858567 NNOGILQMCCXZNB-FMIVXFBMSA-N 287.309 4.472 30 40 CIEB CCCCCCCNC(=O)c1ccccc1Br 97941791 PQGRPVAMACEQOF-UHFFFAOYSA-N 298.224 4.149 30 40 CIEB CC(=NNC(=S)Nc1cccc(C)c1)c1ccc(C)cc1 252444425 XPVNNQBLCXFJEH-UHFFFAOYSA-N 297.427 4.014 30 40 CIEB Cc1ccc(Cl)cc1N/C(S)=N/CC(C)C 8261 CVLONJGXRCEARL-UHFFFAOYSA-N 256.802 4.002 30 40 CIEB COc1ccc(C(=O)/C=C\c2ccc(Cl)cc2)cc1 4726312 RESSHTKZHPRDTR-WCIBSUBMSA-N 272.731 4.245 30 40 CIEB CCOc1ccc(C(=O)/C=C/Nc2ccccc2C)cc1 51318753 QFDZLSUUZYWBAF-OUKQBFOZSA-N 281.355 4.202 30 40 CIEB CN(C)c1ccc(/N=C/c2c(F)cccc2Cl)cc1 361321 YUPCVXSLIBXYKR-VCHYOVAHSA-N 276.742 4.296 30 40 CIEB CC(C)(C)c1ccc(C(=O)OCc2cccc(C#N)c2)cc1 6123167 GTXORNWTRSRRMV-UHFFFAOYSA-N 293.366 4.213 30 40 CIEB N#Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 14908493 IKWDUHIEWOUSFJ-UHFFFAOYSA-N 291.137 4.117 30 40 CIEB Clc1ccc(/C=N\N=C/c2ccco2)cc1Cl 16919219 JYKFHHBYHBJJEX-DUGOVBPYSA-N 267.115 4.039 30 40 CIEB N#C[C@H](c1ccc(Cl)cc1)c1ccc(N)cc1Cl 33607043 GJYVIYJLSWIBLM-CYBMUJFWSA-N 277.154 4.231 30 40 CIEB CCCCCCCOc1ccc(C(=O)c2ncco2)cc1 100291827 RKJJAQYCCWROQP-UHFFFAOYSA-N 287.359 4.255 30 40 CIEB CC[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 101280999 KELKCHCDSYUMCO-HDYAUDIQSA-N 294.398 4.319 30 40 CIEB N#Cc1ccc(Cn2ccc(-c3cc4ccccc4o3)n2)cc1 216689953 NXDPKYBHNBZONN-UHFFFAOYSA-N 299.333 4.216 30 40 CIEB Cn1cc(/C=C/C(=O)c2ccc(F)cc2)c2ccccc21 3903471 ZVLONABEHOCVLW-DHZHZOJOSA-N 279.314 4.214 30 40 CIEB C/C=C/C=N\Nc1nc(-c2ccc(Cl)cc2)cs1 4475616 JFINTDXDDKTXNQ-MFSFJFOYSA-N 277.780 4.437 30 40 CIEB CCOc1cc(/C=N/c2ccccc2C)ccc1OC 6960457 OGRDOXDBPVJZGK-LDADJPATSA-N 269.344 4.153 30 40 CIEB C=CCn1c(CCc2ccccc2)nc2ccccc21 31903346 ZOKBHLKBRWXHRE-UHFFFAOYSA-N 262.356 4.008 30 40 CIEB CCCCCCCC(=O)Nc1ccccc1C(C)=O 59076400 SNHBODLWOMNGPE-UHFFFAOYSA-N 261.365 4.188 30 40 CIEB in-vitro CCOc1ccc(C(=O)/C=C/c2ccccc2C)cc1 71977034 GPSGQNMVUSBNNG-JLHYYAGUSA-N 266.340 4.290 30 40 CIEB CSc1ccc(C(=NO)c2ccc(SC)cc2)cc1 1583087 MGCXHXHDBWAUMB-UHFFFAOYSA-N 289.425 4.357 30 40 CIEB CCOc1ccc(/C=N/c2ccc(OC)cc2)cc1OCC 5336658 OFIPXAXEOQIRMV-CPNJWEJPSA-N 299.370 4.243 30 40 CIEB N#Cc1ccc(OCc2csc(-c3ccsc3)n2)cc1 7549287 YDZKMTMXEPCNGK-UHFFFAOYSA-N 298.392 4.322 30 40 CIEB COc1ccc([N+](=O)[O-])cc1/N=C\c1ccc(Cl)s1 101571548 LWGFATBQGJCCAL-AUWJEWJLSA-N 296.735 4.069 30 40 CIEB C=CC[C@]1(C)C(=O)N(c2ccccc2)c2ccccc21 383257 LOLVAUKQEWJMRT-SFHVURJKSA-N 263.340 4.199 30 40 CIEB O=C(/C=C\c1ccc(Br)cc1)c1ccccc1 4748002 JFARWEWTPMAQHW-FLIBITNWSA-N 287.156 4.345 30 40 CIEB CCOc1ccc(/N=C/c2ccc(OCC)c(OC)c2)cc1 6962519 MHBBOVUSJFUKNR-CPNJWEJPSA-N 299.370 4.243 30 40 CIEB Cc1sc(NC(=O)Nc2cccc(F)c2)c(C#N)c1C 24566009 FJIIZKSFZFNBFP-UHFFFAOYSA-N 289.335 4.020 30 40 CIEB O=C(/C=C/c1ccccc1)/C=C/c1ccc(F)cc1 494911 POEVLTFNDQROHT-QHKWOANTSA-N 252.288 4.121 30 40 CIEB CC(C)c1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1 3641316 KSQGQBBNWMYLPN-UHFFFAOYSA-N 285.387 4.064 30 40 CIEB FC(F)(F)c1ccc(/C=N/Nc2ccccc2)cc1 6344406 CRMPTRYXHKWLFZ-VCHYOVAHSA-N 264.250 4.151 30 40 CIEB COc1cccc(/C=C/C(=O)c2ccc(F)cc2Cl)c1 7332491 WCVNSHJKAGGMLM-VMPITWQZSA-N 290.721 4.384 30 40 CIEB N#Cc1nc(/C=C/c2cccs2)oc1N1CCCCCC1 16768515 KLDMEDJXQPOHFL-BQYQJAHWSA-N 299.399 4.159 30 40 CIEB C#Cc1cccc(NC2CC(c3ccccc3F)C2)c1 36840825 UWJOFYDZFJTUHX-UHFFFAOYSA-N 265.331 4.165 30 40 CIEB Cc1ccc(C)c(C(=O)/C=C/Nc2ccccc2)c1 44844303 CIRWXAWBXUFODR-ZHACJKMWSA-N 251.329 4.112 30 40 CIEB CCc1ccccc1/N=C/c1ccc(N2CCCC2)o1 59138624 IKIAKQYZFMWLHM-QGOAFFKASA-N 268.360 4.193 30 40 CIEB CCCCCCCCNC(=O)NC(=S)c1ccccc1 408732600 SHFKPMKHAQEPKT-UHFFFAOYSA-N 292.448 4.022 30 40 CIEB O/N=C1\C[C@H](c2ccc(Cl)cc2)Oc2ccccc21 161814 LNIUSMGRSBSFKY-OVGFGYAMSA-N 273.719 4.042 30 40 CIEB CCCCCCCc1nnc(S)n1Cc1ccccc1 1906593 UIKMVZVEODGACU-UHFFFAOYSA-N 289.448 4.128 30 40 CIEB C=CC(C)(C)c1c2ccoc2c(OC)c2oc(=O)ccc12 5355890 IFAIUWDLBBYPMZ-UHFFFAOYSA-N 284.311 4.011 30 40 CIEB biogenic,in-vitro C(=N/C(c1ccccc1)c1ccccc1)\c1ccccn1 12998182 JXPXBQOCXYMTBT-RCCKNPSSSA-N 272.351 4.290 30 40 CIEB O=C(/C=C/Oc1ccc(Cl)cc1)c1ccc(F)cc1 16400589 JKHXQUQFHFYTBT-MDZDMXLPSA-N 276.694 4.255 30 40 CIEB O=C(/C=C\Nc1ccc(Cl)cc1)c1ccc(F)cc1 100662082 MKWBSUZEQKZITE-KTKRTIGZSA-N 275.710 4.288 30 40 CIEB CCCCCCCCC(=N\O)/C(=N/O)c1ccccc1 100932727 VJWVWXCNHFXAAF-YTEMWHBBSA-N 276.380 4.446 30 40 CIEB O=C(/C=C/c1cc(Br)cs1)c1cccs1 4276785 KCODWSOCVAZILP-ONEGZZNKSA-N 299.214 4.468 30 40 CIEB O/N=C1\CCCCCC[C@@H]1SCc1ccccc1 5773876 PQLCLZANVLHLEE-IDTYTIONSA-N 263.406 4.473 30 40 CIEB CC1(C)CC(=O)C=C(Nc2ccc(Cl)c(F)c2)C1 6617161 LOJZJXMYLOAXCQ-UHFFFAOYSA-N 267.731 4.164 30 40 CIEB Cc1cc(C)c(C(=O)/C=C\C(=O)c2ccccc2)c(C)c1 17301118 OLQGUEZULVZAEG-KTKRTIGZSA-N 278.351 4.234 30 40 CIEB CN(C)c1ccc(/C=N/N=C2\C[C@@H]3CC[C@@]2(C)C3(C)C)cc1 68677150 VARLEWUJAPSYLP-ZEBTYDINSA-N 297.446 4.374 30 40 CIEB COc1ccc(Cl)cc1/C=N/c1ccc(C)cc1 113854162 YRIALWMEQADCBH-LICLKQGHSA-N 259.736 4.408 30 40 CIEB O=C1CCCC/C1=C/Nc1cccc(Cl)c1Cl 209971099 IYOVAPRLLKNITB-HJWRWDBZSA-N 270.159 4.432 30 40 CIEB Cc1cc(C)c(O)c(/N=C/C=C/c2cccc([N+](=O)[O-])c2)c1 1955324 UDXAOMKPLMKESA-MTEHDHEFSA-N 296.326 4.333 30 40 CIEB Cc1ccsc1/C=N/Nc1nc2ccccc2s1 3909699 ZRMZMTYKLUGUOI-RIYZIHGNSA-N 273.386 4.112 30 40 CIEB Cc1ccccc1C(=O)O/N=C1/C[C@@H]2CC[C@@]1(C)C2(C)C 4587839 CHSJIRHCYRXYDD-KTLCBTTASA-N 285.387 4.354 30 40 CIEB CCCC[C@H](CC)C(=O)Nc1sc(C)c(C)c1C#N 5467435 FNIIEZMIOPWACM-LBPRGKRZSA-N 278.421 4.392 30 40 CIEB FC(F)(F)c1ccc(N/N=C/c2ccccc2Cl)nc1 6831917 LKSMAMGJKCZIMP-FBCYGCLPSA-N 299.683 4.200 30 40 CIEB CC(=O)/C=C/c1ccc(OCc2ccc(C)cc2)cc1 62153334 QEVIKQFYFVFTLZ-VMPITWQZSA-N 266.340 4.176 30 40 CIEB CCCCCC[C@](C)(O)C#Cc1cc(C)ccc1C 95633575 OQPXEQWKOHGOCI-SFHVURJKSA-N 258.405 4.376 30 40 CIEB Cc1cccc(N/C=C2/Sc3ccccc3C2=O)c1 100146584 QTMZDUQLEJZWPL-XNTDXEJSSA-N 267.353 4.237 30 40 CIEB O=[N+]([O-])c1cccc(/N=C\c2ccc(Cl)s2)c1 408964116 BSNGXVKOTWIPMW-QPEQYQDCSA-N 266.709 4.060 30 40 CIEB Fc1cccc(/N=C/c2ccc(N3CCCC3)c(F)c2)c1 409070712 LUKHRKMIDDCURU-UDWIEESQSA-N 286.325 4.316 30 40 CIEB N/C(=N/c1cc(Cl)ccc1Cl)c1ccccc1 6863886 IQOVIJNFDXIKJR-UHFFFAOYSA-N 265.143 4.030 30 40 CIEB C=CCN(CCCc1ccccc1)Cc1cccs1 84638117 SGFJXJQBGKCIAT-UHFFFAOYSA-N 271.429 4.369 30 40 CIEB CCCC[C@H](CC)[C@@H](O)C#Cc1ccc(CC)cc1 95632165 IOKMJMMDNWIBAE-ROUUACIJSA-N 258.405 4.178 30 40 CIEB C/C=C/[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)F 95682099 SNFOQVRVBOHYAF-ZPYNKGFJSA-N 260.099 4.031 30 40 CIEB CC(C)(C)Nc1oc([C@@H]2C[C@@H]2c2ccccc2)nc1C#N 96346120 MIPLYSZSGJZZKX-CHWSQXEVSA-N 281.359 4.028 30 40 CIEB CCCCn1c(C#N)ccc1Cc1ccc(C)cc1 226029632 APASDIPMJUVYMV-UHFFFAOYSA-N 252.361 4.059 30 40 CIEB CCCCCCCNCc1cn(C2CCCC2)nc1C 256050919 GZVZHMXLWPRFPD-UHFFFAOYSA-N 277.456 4.367 30 40 CIEB N#Cc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 115521 MSKFKKDQPNADCY-UHFFFAOYSA-N 278.138 4.444 30 40 CIEB Cc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1C 7743347 WPXPWOXRKQWNME-UXBLZVDNSA-N 254.304 4.339 30 40 CIEB CC1=NN([C@H](C#N)c2ccccc2)[C@@H](c2ccccc2)C1 13144307 HGBQDGFEQHUTSS-QZTJIDSGSA-N 275.355 4.074 30 40 CIEB CC(=O)c1cccc(N/C=C\C(=O)c2ccc(Cl)cc2)c1 16322005 MLQBLJVMGBMOPJ-KTKRTIGZSA-N 299.757 4.351 30 40 CIEB Cc1cc(C)c2nc(NCc3ccccc3)c(C#N)cc2c1 19096823 KLAJJLCZJLPRKS-UHFFFAOYSA-N 287.366 4.335 30 40 CIEB C=C(C)[C@@H]1CC=C(C)/C(=N/OCc2ccccc2)C1 34781569 YRQLVGKJFWKWHG-JHHGQVAESA-N 255.361 4.492 30 40 CIEB O=C(/C=C/C=C/C=C/c1ccccc1)c1ccco1 95532136 KYICGKNWUYJMKB-YZADFZSTSA-N 250.297 4.288 30 40 CIEB N#Cc1ccsc1/N=C/Nc1cccc(C(F)(F)F)c1 95921826 YFBVGGPJOMCLNN-UHFFFAOYSA-N 295.289 4.410 30 40 CIEB CCCCCCCCC[C@@H](C)COC(=O)CN1CCCC1 97951519 KDDPGABGAPUUPB-QGZVFWFLSA-N 297.483 4.402 30 40 CIEB Oc1ccc2ccccc2c1/C=N/c1cccnc1Cl 100743513 FBULRFHNUBCFOH-VXLYETTFSA-N 282.730 4.344 30 40 CIEB COc1ccc(/C=N/c2ccc(OC(F)(F)F)cc2)cc1 45813 BRSKONZOGRXZPL-VXLYETTFSA-N 295.260 4.344 30 40 CIEB Cc1noc2c1[C@@H](CC(C)C)C1=C(CC(C)(C)CC1=O)N2 20736642 DVKMKBYQRIYWTC-LLVKDONJSA-N 288.391 4.181 30 40 CIEB CCCCCCC[C@@H]1CC(=O)C=C(C)[C@H]1C(=O)OCC 96902129 YCUJKPOBGRFMCA-GDBMZVCRSA-N 280.408 4.062 30 40 CIEB C(/C=C/c1ccccc1)=N/N=C/C=C/c1ccccc1 226499596 MIBXLDBZXACZIE-NHHIEOPWSA-N 260.340 4.470 30 40 CIEB C=CCOc1cccc(/C=N\c2ccccc2C)c1 409209795 HEGAKKARJHLWRH-AQTBWJFISA-N 251.329 4.310 30 40 CIEB C(=N/N(c1ccccc1)c1ccccc1)\c1ccco1 3898943 IMNMVZFSMIBIRZ-NBVRZTHBSA-N 262.312 4.452 30 40 CIEB C=CCSc1cc(C)nc2c(-c3ccccc3)c(C)nn12 5576630 KYOHXCBOWMCKLJ-UHFFFAOYSA-N 295.411 4.291 30 40 CIEB COc1ccc2cc(/C(C)=N/Nc3ccccn3)ccc2c1 5693466 XVJKETRRZDUPJK-DEDYPNTBSA-N 291.354 4.080 30 40 CIEB N#Cc1cc(F)c(N[C@@H]2CCCc3ccccc32)c(F)c1 63507830 OZHGMLOQZXKXGK-MRXNPFEDSA-N 284.309 4.326 30 40 CIEB CCCC[C@@H](CC)CNC(=O)Nc1ccc(CC#N)cc1 71850077 LXMMQIHGMOYIMO-CQSZACIVSA-N 287.407 4.091 30 40 CIEB Cc1cc(O)c(C(C)C)cc1/N=C\c1ccccc1[N+](=O)[O-] 84459916 HKNXEPCUZAGUHS-ZDLGFXPLSA-N 298.342 4.483 30 40 CIEB Cc1ccsc1/C=N/c1ccc(F)c(F)c1F 97831961 TYSBDWMDTDVTRR-OMCISZLKSA-N 255.264 4.224 30 40 CIEB N#Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 100003589 MOFKJBNJSRNGLK-QGMBQPNBSA-N 291.137 4.321 30 40 CIEB CC(N=Nc1ccccc1)=NNc1ccc([N+](=O)[O-])cc1 299888691 UBYAPYRAJIYGSA-UHFFFAOYSA-N 283.291 4.124 30 40 CIEB CCc1ccc(N/C=C/C(=O)c2ccccc2)cc1 409052951 FPKWPRPZZOTRGA-OUKQBFOZSA-N 251.329 4.058 30 40 CIEB C[C@@H](NCc1cccc(C#N)c1)c1ccc2c(c1)CCCC2 11093031 LHJKLWBOZREGQK-OAHLLOKOSA-N 290.410 4.288 30 40 CIEB CC(C)c1ccccc1OCc1ccc(C#N)cc1 11834253 RFLUIHGINXYRSZ-UHFFFAOYSA-N 251.329 4.261 30 40 CIEB CC(C)c1ccccc1NC(=O)c1ccc(C#N)cc1F 14258129 RSMJTXBAMXHSOC-UHFFFAOYSA-N 282.318 4.073 30 40 CIEB C[C@H](Nc1ccc(C#N)cn1)c1ccc(C(F)(F)F)cc1 26775020 SWWAIBDBKDVULO-JTQLQIEISA-N 291.276 4.145 30 40 CIEB CC(C)(C)OCCC(F)(F)C(F)(F)C(F)(F)F 1565659647 XIUHVQDGTPNTTO-UHFFFAOYSA-N 270.188 4.025 30 40 CIEB CSc1ccc(C(=O)/C=C/c2ccccc2)cc1 4577490 JJLWOUSIISUNDB-KPKJPENVSA-N 254.354 4.305 30 40 CIEB Cc1ccccc1N/N=C(\c1ccccc1)c1ccccn1 4729781 KRPXZRNQYUVLHA-ZBJSNUHESA-N 287.366 4.255 30 40 CIEB N#C[C@@H](c1ccc(Cl)cc1)N1CCC(c2ccccc2)=N1 4783663 NYKLPCLKDJXQII-KRWDZBQOSA-N 295.773 4.015 30 40 CIEB COc1ccc(/N=C(/c2ccccc2)c2ccncc2)cc1 15938199 PLUSZVKRTWWPAS-VZCXRCSSSA-N 288.350 4.259 30 40 CIEB Cc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccccc1 20293956 OOFICXDIKWEJFN-UHFFFAOYSA-N 285.350 4.178 30 40 CIEB N#Cc1ccccc1CSc1cccc2cccnc12 27836917 OLUOADUBZRSIPX-UHFFFAOYSA-N 276.364 4.399 30 40 CIEB C=CCc1cc(CNc2ccccc2)cc(OC)c1OCC 409118137 YYXYXHKUDIWYRC-UHFFFAOYSA-N 297.398 4.435 30 40 CIEB CCOc1ccccc1/C=N/c1ccc(CC)cc1 8085058 JRMDYNNGASOOIR-QGOAFFKASA-N 253.345 4.398 30 40 CIEB N#C[C@H](c1cnc2ccccc2n1)c1cccc2ccccc12 8649593 MUKPFDOOYILUPQ-KRWDZBQOSA-N 295.345 4.438 30 40 CIEB Oc1ccc(Cl)cc1/C=N\c1cccc2cccnc12 104211870 KLFCVAKGVZVKCQ-GRSHGNNSSA-N 282.730 4.344 30 40 CIEB Cc1ccc2nc(C)cc(N/N=C/c3cccc(O)c3)c2c1 5006948 BIPVCIZZBLJXCY-YBFXNURJSA-N 291.354 4.003 30 40 CIEB Cc1ccc(F)c(/N=C/c2cc(Cl)ccc2O)c1 5288283 MNJBRRAQRSETJP-CAOOACKPSA-N 263.699 4.244 30 40 CIEB C=C(Cl)Cn1c(NCc2ccccc2)nc2ccccc21 6647999 QHOMVHYNXSYPFF-UHFFFAOYSA-N 297.789 4.401 30 40 CIEB O=C1Nc2ccccc2/C1=C\C(=O)c1ccc2ccccc2c1 32012490 CZHOGLLOPNVIOC-SFQUDFHCSA-N 299.329 4.058 30 40 CIEB N#Cc1ccc(CN2CCCC[C@@H]2Cc2ccccc2)cc1 58419361 AWRXLDULYRRSGT-HXUWFJFHSA-N 290.410 4.155 30 40 CIEB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Nc1ccccc1C)C2 100867499 FTNDJLKFMKGSKT-KBXCAEBGSA-N 269.388 4.316 30 40 CIEB Cc1ccc(/[N+]([O-])=C/c2ccc(Br)cc2)cc1 78938 ZQNMYUGXPZWALV-YBEGLDIGSA-N 290.160 4.018 30 40 CIEB CCCCCCCCCC(=O)N1CCC(C)CC1 1733516 DUHCIDLATIAQCR-UHFFFAOYSA-N 253.430 4.386 30 40 CIEB O=C(C1=C[C@@H]2Cc3ccccc3[C@H]2C=C1)c1ccccc1 5870784 XNZMADWRKFHRFQ-HKUYNNGSSA-N 272.347 4.322 30 40 CIEB O=C1Nc2ccccc2/C1=N/c1cc(Cl)ccc1Cl 13902716 XYCVCRYBJFOPKZ-UHFFFAOYSA-N 291.137 4.066 30 40 CIEB C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)CCC[C@]12O 253617625 ZWQVJUXPAQQVEQ-SPOLIRPYSA-N 288.431 4.023 30 40 CIEB Oc1c(Cl)cc(/C=N/c2ccccc2)cc1Cl 409209597 HERGVPUWMRNLKW-LZYBPNLTSA-N 266.127 4.450 30 40 CIEB CCCc1ccc(Oc2cccc(C#N)c2C#N)cc1 482204 HTQNXTFNJARNOZ-UHFFFAOYSA-N 262.312 4.175 30 40 CIEB C/C(=N\Nc1nc2ccccc2s1)c1cccs1 4964377 WIIICVDDUPCHDQ-OQLLNIDSSA-N 273.386 4.194 30 40 CIEB CC(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C[C@]4(C)C3=CC[C@]12C 6159024 VSKPLBHXQVCXOT-GNVJSZRZSA-N 298.426 4.254 30 40 CIEB CN(Cc1ccccc1C#N)c1ccc2ccccc2c1 7211500 UTYZLUQXZMGSEF-UHFFFAOYSA-N 272.351 4.348 30 40 CIEB CCn1c(N/N=C/C=C/c2ccccc2)nc2ccccc21 408692659 RTYMDHXLOPAJNJ-SFRRXYARSA-N 290.370 4.167 30 40 CIEB Cc1ccc(N/N=C2/CC(=O)c3ccccc32)cc1Cl 13136683 RDBCZDHFEAODBS-CYVLTUHYSA-N 284.746 4.051 30 40 CIEB O=C(/C=C\c1c(F)c(F)c(F)c(F)c1F)c1ccccc1 33376387 JIOFBHNILKPQLI-SREVYHEPSA-N 298.210 4.278 30 40 CIEB N#CCCC1=CC(CCC#N)(CCC#N)c2ccccc21 1691226 ZNGGADTVLFYLIB-UHFFFAOYSA-N 275.355 4.233 30 40 CIEB Fc1ccc(N/N=C/c2cccc(Cl)c2)c(F)c1 4919228 WGNVXQFCFOFEGW-CAOOACKPSA-N 266.678 4.064 30 40 CIEB C/C(=N/Nc1cccc2ccccc12)c1ccccn1 5566107 FLWAWARDWGNQKV-UYRXBGFRSA-N 261.328 4.071 30 40 CIEB C=CCN(C(=O)c1ccc2[nH]c(C)c(C)c2c1)C1CCCC1 40153170 WBVURKCUJGSAFK-UHFFFAOYSA-N 296.414 4.356 30 40 CIEB Oc1c(/C=N\c2ccc(F)cc2)ccc2ccccc12 100248389 AAJMTOIAQZLPSA-ODLFYWEKSA-N 265.287 4.435 30 40 CIEB CCCCCCCOc1ccc(C(=O)CCC(=O)O)cc1 2144860 GRIATMKAFYNTBG-UHFFFAOYSA-N 292.375 4.083 30 40 CIEB FC(F)(F)c1cccc(N/N=C/c2cccs2)c1 4923204 PHBRMCWEJXFFAY-LZYBPNLTSA-N 270.279 4.213 30 40 CIEB Cc1cc(C)c(C(=O)/C(O)=C/c2ccccc2)c(C)c1 5699384 WTUYWZZLGKXOSQ-WJDWOHSUSA-N 266.340 4.394 30 40 CIEB Cc1cc2ncc(-c3c[nH]c4ccc(C#N)cc34)nc2cc1C 77024302 WBRXARGYXJSMRY-UHFFFAOYSA-N 298.349 4.267 30 40 CIEB Cc1ccc(/C=C2/C(=O)[C@H]3CC[C@@]2(C)C3(C)C)cc1 107141941 IFRCODNIQRHSLF-FFTXYWRCSA-N 254.373 4.404 30 40 CIEB C#CCOc1ccc(/C=N/c2cccc(C)c2C)cc1OC 409209595 CSWXVDQFUKKJFC-DEDYPNTBSA-N 293.366 4.075 30 40 CIEB CC#CCCCCCCCC(=O)Nc1ccccc1 1907499 PTTPJITYNFXRSX-UHFFFAOYSA-N 257.377 4.379 30 40 CIEB biogenic O=C(/C=C\Nc1ccc(Cl)cc1F)c1cccs1 6926690 XXFCYWRKIPIWEG-WAYWQWQTSA-N 281.739 4.349 30 40 CIEB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C#Cc1ccccc1 13405488 WDOZQXWWPJRUPB-NXHRZFHOSA-N 284.399 4.042 30 40 CIEB Cc1cc(-c2ccc(C#N)o2)c(C)cc1Br 45957915 YKACVFVRTOUJIY-UHFFFAOYSA-N 276.133 4.198 30 40 CIEB CCOc1ccc(N/C=C/C(=O)c2ccc(CC)cc2)cc1 409099019 ROXXZJRLUIZQCM-BUHFOSPRSA-N 295.382 4.456 30 40 CIEB C[C@@]1(C#N)CCCC(c2ccccc2)(c2ccccc2)C1=O 2027489 ANTBKUXVOASEJR-IBGZPJMESA-N 289.378 4.256 30 40 CIEB Cc1nnc(SCc2ccc(C#N)cc2)c2ccccc12 9970843 NJADDOLPOBVWIF-UHFFFAOYSA-N 291.379 4.102 30 40 CIEB Cc1cc(O)c(C(C)C)cc1/N=C\c1ccccc1O 13120159 HYTXEOFJVZEFSX-ZDLGFXPLSA-N 269.344 4.280 30 40 CIEB in-vitro COc1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1 17354501 KGKFNDADSPFRCJ-WCIBSUBMSA-N 272.731 4.245 30 40 CIEB CC[C@H](C)C[C@](C)(O)C#Cc1cc(F)cc(Cl)c1 95633305 OIKCGOIQYTUMGP-XHDPSFHLSA-N 268.759 4.018 30 40 CIEB C/C(Nc1ccccc1O)=C1/Sc2ccccc2C1=O 100094409 DPEFCNQTHCMUCO-YBEGLDIGSA-N 283.352 4.024 30 40 CIEB CC1(C)CC(=O)C(CC(=O)c2ccc(Cl)cc2)=C(O)C1 100211880 PCNPUPUGQVAPGB-UHFFFAOYSA-N 292.762 4.114 30 40 CIEB COc1ccc(/N=C\c2ccc3ccccc3c2O)cc1 100248354 CBCVFHZXYPGQFC-UNOMPAQXSA-N 277.323 4.305 30 40 CIEB O=C1/C(=C/NC2CCCCCC2)Sc2ccccc21 100568929 SWXCWFLSUNAUTJ-PTNGSMBKSA-N 273.401 4.129 30 40 CIEB C/C(=C\C(=O)c1ccccc1)Nc1ccc(F)cc1F 109793989 QYECHFRNPDFPQP-PKNBQFBNSA-N 273.282 4.163 30 40 CIEB CC(=O)C(=CNc1ccc(C)cc1)Cc1ccccc1 2049241025 CQVUEPQLBYMIKX-UHFFFAOYSA-N 265.356 4.123 30 40 CIEB C/C(=C\C(=O)c1cccnc1)Nc1cc(C)ccc1Cl 5175438 YDHBDYATJZEVRP-FMIVXFBMSA-N 286.762 4.242 30 40 CIEB C=CCSc1ccccc1-c1nc(-c2cccnc2)no1 9095352 UZYIITUSMMMBPD-UHFFFAOYSA-N 295.367 4.077 30 40 CIEB Fc1ccc(/C=N/Nc2nc3ccc(Cl)cc3o2)cc1 17056712 SCSOYVZEKAFHAG-CAOOACKPSA-N 289.697 4.066 30 40 CIEB CN(C)C1=C/C(=N\c2ccccc2)SC(C)(C)C1 17142936 WFGYODUSKPXWNM-JQIJEIRASA-N 260.406 4.078 30 40 CIEB C=C(C)[C@H]1CC=C(C)/C(=N/OCc2ccccc2)C1 34781568 YRQLVGKJFWKWHG-FWSRSQSESA-N 255.361 4.492 30 40 CIEB C=CCN1CCC(c2nc3cc(Cl)ccc3s2)CC1 58378187 RUSZNMHTAYVDIR-UHFFFAOYSA-N 292.835 4.315 30 40 CIEB Cc1ccccc1N/C=C1\Sc2ccccc2C1=O 100108080 KZPOGZVCGVVILG-GDNBJRDFSA-N 267.353 4.237 30 40 CIEB CC(C)c1cc(Br)ccc1-n1cccc1C#N 223734945 LPJJYMPIEVRQSV-UHFFFAOYSA-N 289.176 4.235 30 40 CIEB C=CCOc1cccc(/C=N\c2ccc(OC)cc2)c1 409203349 XKECEBLOZAFWNJ-AQTBWJFISA-N 267.328 4.011 30 40 CIEB N#Cc1c(NC(=O)Oc2ccccc2)sc2c1CCCC2 5604034 ZFKSSNBPYYFTNI-UHFFFAOYSA-N 298.367 4.109 30 40 CIEB CC(C)C[C@@H](NC(=O)c1cccc(C#N)c1)c1ccccc1 7037044 YBKBQCFLGZMIAW-GOSISDBHSA-N 292.382 4.075 30 40 CIEB Cc1cc(C)c(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c(C)c1 26442347 ZPZDOJBSSJJGPA-CMDGGOBGSA-N 295.338 4.416 30 40 CIEB COc1cccc2cc(/C=C/C(=O)c3ccc(C)o3)oc12 40018086 NGWBLPBPOYDICC-BQYQJAHWSA-N 282.295 4.239 30 40 CIEB COc1cccc(C(=O)/C=C(\C)Nc2ccccc2F)c1 109390474 GLEVUXGRMCRQIJ-ZRDIBKRKSA-N 285.318 4.033 30 40 CIEB CC[C@@H](C)n1c(C#N)cc(N)c1Oc1cc(C)ccc1C 225884989 DTRGOJLLXWKIDA-CYBMUJFWSA-N 283.375 4.322 30 40 CIEB Cc1ccc(-c2cc(C#N)c(NC(=O)C(C)(C)C)o2)cc1 144034 KXRJTNNKQVPRLX-UHFFFAOYSA-N 282.343 4.111 30 40 CIEB O=C(/C=C/c1ccccc1)c1ccc2c(c1)CCCCO2 4903967 MTJAGFHOAXCRQA-PKNBQFBNSA-N 278.351 4.298 30 40 CIEB Cc1ccc(N/N=C2\C(O)=Nc3c(C)cccc32)cc1Cl 8664688 UHQCUGXILCHSAI-UHFFFAOYSA-N 299.761 4.375 30 40 CIEB C[C@@H](/N=C/c1cc(Cl)ccc1O)c1ccccc1 17353592 ZSMSDVYTRZIQCV-JDAJCMJVSA-N 259.736 4.226 30 40 CIEB Cc1ccc(-c2cc(-c3ccccc3)nc(N)c2C#N)cc1 19818501 ADSZRHDJWBZORK-UHFFFAOYSA-N 285.350 4.178 30 40 CIEB in-vivo C=CCn1c(C)cc(C(=O)c2cc3ccccc3o2)c1C 24992027 KHIKEWSSQQRGOU-UHFFFAOYSA-N 279.339 4.268 30 40 CIEB CC1CCC(/N=C/c2cc(Br)ccc2O)CC1 57411877 QQUFHXNHPLPGOO-CXUHLZMHSA-N 296.208 4.152 30 40 CIEB Cc1ccc(C(=O)O/N=C2\C[C@H]3CC[C@@]2(C)C3(C)C)cc1 100006267 NXAITCVPAUWQJG-DAQWZKQOSA-N 285.387 4.354 30 40 CIEB CSc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2F)cc1 46068 QDJMRQMURQZSTN-CXUHLZMHSA-N 290.319 4.206 30 40 CIEB C=C(C)c1c(C)c(C#N)c2nc3ccccc3n2c1Cl 547654 XUMOZPBABXTBTG-UHFFFAOYSA-N 281.746 4.354 30 40 CIEB O=C(/C=C/c1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 5129486 SGGACKIJMACUOK-MDZDMXLPSA-N 293.278 4.237 30 40 CIEB C[C@@H](C#N)Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1 5219884 NUSMMXBZPSULMQ-JTQLQIEISA-N 287.388 4.038 30 40 CIEB N#CC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 75934326 WVBDPPPZKBVVJS-UHFFFAOYSA-N 279.183 4.279 30 40 CIEB C[C@H]1C[C@@H](c2ccccc2F)N(c2cccc(F)c2C#N)C1 95403346 DBLMFJRXCWDNFK-SGTLLEGYSA-N 298.336 4.424 30 40 CIEB COc1cc(C)c2c(c1)CC/C(=C\c1ccccc1)C2=O 4292971 VIMBCIVGHCLMSI-LFIBNONCSA-N 278.351 4.216 30 40 CIEB N#C[C@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 26895110 ZKQZXOHHGSSQLN-WMZOPIPTSA-N 296.801 4.079 30 40 CIEB C=CCCC[C@H](C)Sc1nccc(C(F)(F)F)n1 95460221 USNYERPDMYLKMP-VIFPVBQESA-N 276.327 4.332 30 40 CIEB C[C@H]1C[C@H](/N=C\c2ccc3c(c2)OCO3)CC(C)(C)C1 104359741 RSQLGKTUFLHEOF-XDNFDDDSSA-N 273.376 4.049 30 40 CIEB O=C(/C=C/c1ccccc1F)c1ccccc1OC(F)F 6047923 ITFYSAJMTNYARY-MDZDMXLPSA-N 292.256 4.323 30 40 CIEB N#C[C@@H](NC(=O)c1csc2ccccc12)C1CCCCC1 42891106 FQDSQBINWXMFOK-OAHLLOKOSA-N 298.411 4.104 30 40 CIEB CCOc1cccc(/C=N/Cc2cccc(Cl)c2)c1O 44836094 VYTSYFZCKZOHKC-WOJGMQOQSA-N 289.762 4.063 30 40 CIEB N#Cc1cn(C(=O)c2ccc3ccccc3c2)c2ccccc12 226361512 OFQAFCHXCSCJJN-UHFFFAOYSA-N 296.329 4.355 30 40 CIEB COc1ccc(/N=C\c2ccc(-c3cccc(F)c3)o2)cn1 409011067 FSDIGKRYMZGDKP-ODLFYWEKSA-N 296.301 4.240 30 40 CIEB N#CC1(c2ccc3ccccc3c2Br)CC1 575629477 YVNCCJVIYGSLRS-UHFFFAOYSA-N 272.145 4.157 30 40 CIEB CCCC[C@](C)(CN(C)C)C(=O)/C=C/c1ccccc1 1567497 SZJDJHCRIWFKTF-QFQMRYFISA-N 273.420 4.027 30 40 CIEB O=C1/C(=C/c2ccccc2)CSC/C1=C\c1ccccc1 5496393 QVYZIRHMCZTVNT-JYFOCSDGSA-N 292.403 4.470 30 40 CIEB CCn1cc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1 6636568 ZRXHXKGZICNUQZ-SNAWJCMRSA-N 298.430 4.010 30 40 CIEB CCCCC#C/C=C1/Cn2c(nc3ccccc32)S1 17440253 YGVDGUFVTSBVLS-LCYFTJDESA-N 268.385 4.220 30 40 CIEB C(=C\c1ccccc1)\C=N/N=C/C=C/c1ccccc1 37245998 MIBXLDBZXACZIE-CKCJGMKXSA-N 260.340 4.470 30 40 CIEB CCOc1ccc(C(=O)/C=C/Nc2ccc(CC)cc2)cc1 51318767 YWAHVZGWAJNAPZ-BUHFOSPRSA-N 295.382 4.456 30 40 CIEB FC(F)(F)c1cnc(Cl)cc1C(F)(F)C(F)(F)F 101689743 CMBFVAYCHALJKY-UHFFFAOYSA-N 299.548 4.408 30 40 CIEB C/C=C/C(=O)c1ccc(COc2cc(F)ccc2F)cc1 575242866 RKECLKDVPJSSOR-NSCUHMNNSA-N 288.293 4.303 30 40 CIEB CCCC[C@H](CC)[C@@H](O)C#Cc1ccccc1CC 95632115 YNEXDVQVBJCJAE-WMZOPIPTSA-N 258.405 4.178 30 40 CIEB C=CCOc1ccc(NC(=O)Cc2ccc(C)cc2C)cc1 225061379 JTQXJSLGBJFUBI-UHFFFAOYSA-N 295.382 4.049 30 40 CIEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(O)cc2)C1 408564170 VISKUYWTCUNBTL-FNDVETGQSA-N 287.403 4.493 30 40 CIEB C[C@@H](CCc1ccccc1)/N=C(/S)NC1CCCCC1 13685993 QLBOKMKYCJPVNW-AWEZNQCLSA-N 290.476 4.216 30 40 CIEB C/C(=N\Nc1ccnc2cc(Cl)ccc12)c1ccc[nH]1 57410439 PTUVFCAWOKUPSY-VXLYETTFSA-N 284.750 4.052 30 40 CIEB CCC(CC)[C@@](O)(C#Cc1ccccc1)c1ccccc1 67319251 RJTLBKKVGPXVRC-FQEVSTJZSA-N 278.395 4.362 30 40 CIEB N#Cc1cc(N)c(Cc2cccc(Cl)c2)n1C1CCCC1 225853237 BADDVDZRWIIOJX-UHFFFAOYSA-N 299.805 4.301 30 40 CIEB Cc1[nH]c2ccccc2c1/C=C1\Cc2ccccc2C1=O 409372220 PNWZPVYTZAJCFH-SDNWHVSQSA-N 273.335 4.299 30 40 CIEB CC(C)(C)OCCC(F)(C(F)(F)F)C(F)(F)F 1083806435 ZUBXGECKJACHJY-UHFFFAOYSA-N 270.188 4.025 30 40 CIEB C/C(=N\c1ccc(C)cc1)C1=C(O)CC(C)(C)CC1=O 1301765 DSCWTRGLVOIPDU-LDADJPATSA-N 271.360 4.289 30 40 CIEB C(=N/c1nc2c(s1)CCCC2)\c1cc2ccccc2[nH]1 11565771 SDGSOVXCLFLSLW-LICLKQGHSA-N 281.384 4.254 30 40 CIEB Cc1cccc(CS/C(=N\C#N)Nc2ccccc2F)c1 13617734 NIUWJXRNRGHGAP-UHFFFAOYSA-N 299.374 4.317 30 40 CIEB C[C@H](/N=C/c1cc(Cl)ccc1O)c1ccccc1 18066687 ZSMSDVYTRZIQCV-MUOOZZNISA-N 259.736 4.226 30 40 CIEB COc1ccc(C(=O)/C=C/C=C/c2cccs2)cc1 51330168 ZJXNQMYCCODSDK-WVORFHHMSA-N 270.353 4.209 30 40 CIEB COc1ccc2c(c1)CC/C(=C\c1cccc(C)c1)C2=O 214467 QSVOTOGCECNNKK-LFIBNONCSA-N 278.351 4.216 30 40 CIEB Cc1cccc2cc(C#N)c(NC3CCCCC3)nc12 421800 RUFYDWABZHDYNP-UHFFFAOYSA-N 265.360 4.160 30 40 CIEB N#Cc1ccc(C(=O)CCc2cccc(Cl)c2)cc1 2517221 AKOIIQYVWQQINI-UHFFFAOYSA-N 269.731 4.027 30 40 CIEB COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 7743217 PQRDOBQRTNDADS-JXMROGBWSA-N 272.731 4.245 30 40 CIEB Cc1ccccc1/N=C\c1cc([N+](=O)[O-])ccc1Cl 101501455 GULWFLYLYWKOPU-SXGWCWSVSA-N 274.707 4.307 30 40 CIEB CCC[C@H](C=O)CCC(=O)c1ccc(Br)cc1 2269901 RHQDQKFETGKGBL-NSHDSACASA-N 297.192 4.027 30 40 CIEB C/C(=N\OC(=O)C1CC1)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 4084807 CRIHZXSTKMBSDC-LJNFXEMMSA-N 285.387 4.243 30 40 CIEB COc1cccc(/C=C/C(=O)c2cc3ccccc3o2)c1 5129495 LWFZGISZBDFJCB-MDZDMXLPSA-N 278.307 4.338 30 40 CIEB CCCCC/C(=N\O)c1cc(OCCCC)ccc1O 5417752 LMMWIVKEONWNGO-BMRADRMJSA-N 279.380 4.330 30 40 CIEB COc1ccc2cc(/C=N/[C@H](C)c3ccncc3)ccc2c1 12517474 PTUPWHWYGKBIJY-CNRHGSOZSA-N 290.366 4.424 30 40 CIEB C=C[C@@H](c1ccccc1)c1cc2c(cc1OCC)OCO2 5841484 LTSYCHQHYKSLCE-AWEZNQCLSA-N 282.339 4.132 30 40 CIEB N#Cc1ccc(OC(=O)c2cc3c(s2)CCCCC3)cc1 6212182 IDAFISPSNASFLQ-UHFFFAOYSA-N 297.379 4.108 30 40 CIEB N#Cc1ccc(/C=C/C(=O)c2nc3ccccc3s2)cc1 7335871 HVZAUVOEVCOWSZ-MDZDMXLPSA-N 290.347 4.064 30 40 CIEB c1ccc(-c2csc(/N=C3\CCCCCN3)n2)cc1 13739313 AXONBKLGUAWURH-UHFFFAOYSA-N 271.389 4.004 30 40 CIEB Cc1ccc(/N=C/c2ccc(N3CCCC3)o2)cc1C 59138596 UCEAGYBIQIJJMB-LDADJPATSA-N 268.360 4.247 30 40 CIEB O=C1C(=C2SCCS2)CC/C1=C\c1ccc(F)cc1 383957 OOHAEZXEQQOAQI-PKNBQFBNSA-N 292.400 4.264 30 40 CIEB C=CC[n+]1cc2c3ccccc3c(N)cc2c2ccccc21 1558621 XJFCLGRJXKVIRR-UHFFFAOYSA-O 285.370 4.202 30 40 CIEB N#Cc1ccc(CC(=O)c2ccccc2C(F)(F)F)cc1 2393065 VTOXIFOQLHQQTP-UHFFFAOYSA-N 289.256 4.002 30 40 CIEB CCOc1ccc(/C=C/C(=O)c2ccccc2)cc1OCC 5576337 XHAXBFDOOLRAPP-ZRDIBKRKSA-N 296.366 4.380 30 40 CIEB COc1ccc(Cl)c(N/C=C/C(=O)c2cccs2)c1 16215308 KDQMTGMFDQAKMC-VOTSOKGWSA-N 293.775 4.219 30 40 CIEB CC(C)C/C(=N/O)c1ccccc1NC(=O)OC(C)(C)C 65735064 AKZYIZTWBFHYFZ-JXAWBTAJSA-N 292.379 4.258 30 40 CIEB in-vitro SC(/N=N\c1ccccc1)=N\Nc1ccccc1 95915046 UOFGSWVZMUXXIY-ICFOKQHNSA-N 256.334 4.083 30 40 CIEB in-vitro CCCCCCCOC(=O)Cc1c[nH]c2ccccc12 1621670 OXPKWHXCMHDEON-UHFFFAOYSA-N 273.376 4.224 30 40 CIEB O=C1/C(=C\c2ccccc2)C=C/C1=C/c1ccccc1 1686727 KAWKDYPTDUPFBJ-JTFWXBGUSA-N 258.320 4.293 30 40 CIEB O=[N+]([O-])c1cccc(/C=N/c2ccc3ccccc3c2)c1O 4689412 MHATXZSFCIEHCR-WOJGMQOQSA-N 292.294 4.204 30 40 CIEB COc1cc(C#N)ccc1O[C@H](C)c1ccccc1Cl 5429906 WPIPQOLKMNTUMB-LLVKDONJSA-N 287.746 4.360 30 40 CIEB C[C@](O)(C#CC12CC3CC(CC(C3)C1)C2)c1cccs1 5723612 SAYNBEKCBGXMLK-UUMMVJRDSA-N 286.440 4.175 30 40 CIEB Cc1ccc(C)c(N/N=C2\Sc3ccccc3C2=O)c1 5958241 YXADXPMFQKHUMB-VLGSPTGOSA-N 282.368 4.017 30 40 CIEB N#Cc1cccc(NC(=O)Nc2cccc3ccccc23)c1 6252881 IQEKHBOONCDHBX-UHFFFAOYSA-N 287.322 4.355 30 40 CIEB O=C(/C=C/c1cccnc1)c1cc(F)c(Cl)cc1Cl 7621477 MJRUWRABXQNVKB-ONEGZZNKSA-N 296.128 4.424 30 40 CIEB N#Cc1cc(-c2ccccc2)oc1/N=C/c1ccccc1O 84459707 YGKAPNHRYVQTIE-UDWIEESQSA-N 288.306 4.274 30 40 CIEB O=C(/C=C1/N=CNc2ccccc21)c1cccc(Cl)c1 104243389 KOUDMMBWASBBDW-OQLLNIDSSA-N 282.730 4.018 30 40 CIEB O=C(/C=C/Sc1ccccn1)c1ccc(Cl)cc1 174275 LGWRCGHSAKVUCJ-CSKARUKUSA-N 275.760 4.224 30 40 CIEB C(#Cc1ccccc1)CSc1nc2ccccc2s1 1759304 GYMLIUXYMJLMEB-UHFFFAOYSA-N 281.405 4.440 30 40 CIEB N#CCCN(C(=O)c1ccc(Cl)cc1)C1CCCCC1 16400763 DXJNOEBJGLVIGV-UHFFFAOYSA-N 290.794 4.029 30 40 CIEB C[C@H]1CCc2c(-c3ccccc3)nc(S)c(C#N)c2C1 95117584 PWFNRKIHHAYNQY-NSHDSACASA-N 280.396 4.034 30 40 CIEB N#Cc1cn(C(=O)c2cccc3ccccc23)c2ccccc12 226361496 KCZJKKHLGDWFJF-UHFFFAOYSA-N 296.329 4.355 30 40 CIEB O=[N+]([O-])c1ccc(/N=C\c2cccn2-c2ccccc2)cc1 408846109 INYBBOYGOGKCDO-AQTBWJFISA-N 291.310 4.136 30 40 CIEB O=C(c1ccc(C(F)(F)F)cc1)C(F)(F)C(F)(F)F 2559568 LQMOWHXGWIOTFZ-UHFFFAOYSA-N 292.125 4.086 30 40 CIEB CC[C@@H](C)c1ccc(C(=O)COc2cccc(C#N)c2)cc1 3444354 XTKVBWWVBXMJBL-CQSZACIVSA-N 293.366 4.333 30 40 CIEB N#Cc1ccccc1COC(=O)c1cccc2ccccc12 3530337 GJWIBGVTSPGPHB-UHFFFAOYSA-N 287.318 4.068 30 40 CIEB Cc1ccc(N/C=C/C(=O)c2ccc(Cl)cc2)c(O)c1 4562227 KNFMYBRGPSVNCJ-CMDGGOBGSA-N 287.746 4.163 30 40 CIEB Oc1ccc2ccccc2c1/C=N\Cc1ccc(F)cc1 5288114 FPPMOLUOFBIFLJ-NDENLUEZSA-N 279.314 4.304 30 40 CIEB Cc1ccc(-n2c(S[C@H](C)C#N)nc3ccccc32)cc1 6032894 YMWOPCKYSCUVFM-CYBMUJFWSA-N 293.395 4.338 30 40 CIEB CC/C(=C/C(=O)c1ccncc1)Nc1ccc(C)c(C)c1 408751514 RMPRESOCGSMPDQ-VBKFSLOCSA-N 280.371 4.287 30 40 CIEB CCc1ccc(N/C=C/C(=O)c2cccc(OC)c2)cc1 409060506 WTKZQZRMCLNKCR-VAWYXSNFSA-N 281.355 4.066 30 40 CIEB C=C[C@@H](/C=C/c1ccc(O)cc1)c1ccc(O)cc1 900117 VEAUNWQYYMXIRB-ZRFDWSJLSA-N 252.313 4.081 30 40 CIEB biogenic,in-vitro C=CCOc1ccc(CNC2CCCCC2)cc1OCC 6355072 HOKJATSNTXPWAE-UHFFFAOYSA-N 289.419 4.072 30 40 CIEB C=CC/N=C(/S)N(CC)c1cccc2ccccc12 13686004 DDUCZHXFLYSHNS-UHFFFAOYSA-N 270.401 4.138 30 40 CIEB C(=N/c1cccc2ccccc12)\c1ccc2c(c1)OCO2 18140367 WPZIACALTHYTMH-YBFXNURJSA-N 275.307 4.319 30 40 CIEB CC/C(C)=N\Nc1cc(C)c(Br)cc1C 45957948 LJPGFWYBFOIOET-UVTDQMKNSA-N 269.186 4.264 30 40 CIEB Cc1ccc(-c2nc(C#N)c(N3C[C@@H](C)C[C@H](C)C3)o2)cc1 536208 VLQDTLPUUBCVRA-KBPBESRZSA-N 295.386 4.004 30 40 CIEB CCN(/C(S)=N\c1cccc(C)c1)c1ccccc1 8687868 UPYDDLPEYIETGF-UHFFFAOYSA-N 270.401 4.439 30 40 CIEB CCc1ccc(/C=N\Nc2nc3c(s2)C[C@@H](C)CC3)cc1 31833865 SSXXJGUNQQICDT-SJWFJVLYSA-N 299.443 4.276 30 40 CIEB Oc1c(/C=N\c2cccc(F)c2)ccc2ccccc12 100248392 JYGNOVYHTUMUPB-ODLFYWEKSA-N 265.287 4.435 30 40 CIEB Oc1cccc(/N=C\c2ccc3ccccc3c2O)c1 100248436 WKCCENKAJXNJLP-WQRHYEAKSA-N 263.296 4.002 30 40 CIEB Cc1cccc(/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)c1 101450257 DIFRWJDSFBJUPW-SXGWCWSVSA-N 274.707 4.307 30 40 CIEB COc1ccnc(Nc2cc(Cl)cc(Cl)c2)c1C#N 1387767 GDPXDBMCRDLMJG-UHFFFAOYSA-N 294.141 4.012 30 40 CIEB C/C=C/[C@](F)(C(F)(F)F)C(F)(F)C(F)(F)F 2530877 SNFOQVRVBOHYAF-FSSWKIGTSA-N 260.099 4.031 30 40 CIEB CSC(=Nc1cccc(C(F)(F)F)c1)SC 3165907 OOIXZIWLWODOBP-UHFFFAOYSA-N 265.325 4.419 30 40 CIEB Cc1cccc(C(C)C)c1NC(=O)c1ccc(C#N)cc1 3592084 MRSWJIURWKCHLW-UHFFFAOYSA-N 278.355 4.242 30 40 CIEB C=C1c2[nH]c3ccccc3c2[C@@H]2[C@H](CC)[C@H]1CCN2C 4808220 MFFIRXGJJPPAMA-VBHSOAQHSA-N 266.388 4.214 30 40 CIEB Cc1cc(C)cc(/N=C/c2cc(Cl)ccc2O)c1 5287269 LWDKZYTWLBBZQM-RQZCQDPDSA-N 259.736 4.413 30 40 CIEB COc1ccc(/C=N/c2ccccc2C)cc1Cl 8570870 BFZIHBNLVNXNLX-LICLKQGHSA-N 259.736 4.408 30 40 CIEB O=C(/C=C/c1cccnc1)c1ccc(-c2ccccc2)o1 75110826 ZHHVLEOAQUXCFV-CMDGGOBGSA-N 275.307 4.238 30 40 CIEB N#Cc1ccc(Oc2ccc(F)c(Cl)c2)c(F)c1 75914475 OHPWZZGPCCYNLY-UHFFFAOYSA-N 265.646 4.282 30 40 CIEB O=[N+]([O-])c1ccc(Cl)c(/C=N\c2ccccc2F)c1 409102802 WCRMFVSFLHCSPI-PXNMLYILSA-N 278.670 4.138 30 40 CIEB C(=N\c1ccccc1-c1nc2ccccc2[nH]1)\c1ccncc1 15413449 AJSXYQHXXDYXJS-BKUYFWCQSA-N 298.349 4.376 30 40 CIEB C/C(=N/OC(=O)c1ccccc1)c1cccc2ccccc12 16136678 IABMGFHADNORIG-ZHZULCJRSA-N 289.334 4.421 30 40 CIEB Cc1ccc(Cl)cc1NCc1ccc(C#N)cc1 19875298 KWUMJPHPNDCEMR-UHFFFAOYSA-N 256.736 4.132 30 40 CIEB O/N=C(/CCc1nc2ccccc2s1)c1ccccc1 21005972 HKTIDJFPRPMWED-AQTBWJFISA-N 282.368 4.107 30 40 CIEB C=CCOc1cccc(/C=C/C(=O)c2cccs2)c1 59435663 PIPSJKCUABUHKV-CMDGGOBGSA-N 270.353 4.209 30 40 CIEB C[C@H](Nc1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1 97134566 AXWZCYCEEUUMEA-JTQLQIEISA-N 291.276 4.145 30 40 CIEB CCCCCCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(O)C2 100301028 VYCXSKHVAUYCSH-YYZRRKBYSA-N 282.492 4.259 30 40 CIEB N#Cc1ccc(-c2ccc(Br)c(Cl)c2)o1 216769842 GUWNUZXUIIWMMU-UHFFFAOYSA-N 282.524 4.234 30 40 CIEB COc1cccc(/N=C\c2c(C)n(C)c3ccccc23)c1 408858294 RMTXQCXPSPATQF-UNOMPAQXSA-N 278.355 4.246 30 40 CIEB Oc1ccccc1/C=N/c1ccccc1N1CCCCC1 3238762 HCDAQNQEKOYHLL-XMHGGMMESA-N 280.371 4.133 30 40 CIEB O=C1C(O)=C(CCC[C@@H]2C=CCCC2)C(=O)c2ccccc21 4705864 LSPQXSVKBKRIOA-CYBMUJFWSA-N 296.366 4.404 30 40 CIEB O=C1/C(=C\c2cc3ccccc3[nH]2)Sc2ccccc21 5604905 HHEILIJTYSMHGB-MHWRWJLKSA-N 277.348 4.497 30 40 CIEB CCN(CC)/C(=C\C(=O)c1ccccc1)c1ccccc1 8613048 QXOJMPODVWIILO-SDXDJHTJSA-N 279.383 4.252 30 40 CIEB Clc1cc(Cl)cc(/N=C/c2ccc3c(c2)OCO3)c1 18190268 LSAMWWRMDIMNFR-REZTVBANSA-N 294.137 4.473 30 40 CIEB CCCCCCC[C@H]1CC(=O)C=C(C)[C@@H]1C(=O)OCC 96902128 YCUJKPOBGRFMCA-HOCLYGCPSA-N 280.408 4.062 30 40 CIEB C#C[C@H](OC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)/C(C)=C\CC 100162220 YUGWDVYLFSETPE-GXHJNHOSSA-N 274.404 4.126 30 40 CIEB CCCCCCCCC/C(=N\O)c1ccc(O)cc1O 100930225 GQYDKGNUMXWUNE-BMRADRMJSA-N 279.380 4.417 30 40 CIEB CC1(C)CC(=O)C=C(Nc2cccc(Br)c2)C1 37878 OSXYWSHUXGINPJ-UHFFFAOYSA-N 294.192 4.134 30 40 CIEB [O-]/[N+](=C\c1cccs1)c1cc(Cl)ccc1Cl 161755 GRCJWHFUEYPCHO-AUWJEWJLSA-N 272.156 4.316 30 40 CIEB O=C1/C(=C\c2c[nH]c3ccccc23)Sc2ccccc21 195414 IAIZFNYZAVRMGR-CXUHLZMHSA-N 277.348 4.497 30 40 CIEB CCCCCCCc1nnc(NC(=O)CCCC)s1 2057338 CRJODPZAQRARRD-UHFFFAOYSA-N 283.441 4.180 30 40 CIEB Cc1ccc([C@H]2C[C@H]2/C(=N/O)c2ccc(F)cc2)cc1 5617847 NMEWOZJNPFNNIR-AIGMWWALSA-N 269.319 4.116 30 40 CIEB N#Cc1ccc(Nc2cc(Cl)cc(Cl)c2)c(N)c1 35674528 AHVLFHOYMBOCGL-UHFFFAOYSA-N 278.142 4.191 30 40 CIEB CC[C@@H](C)C[C@@](C)(O)C#Cc1cc(Cl)ccc1C 95631716 TVHAMCJNXAXAKN-WBMJQRKESA-N 264.796 4.187 30 40 CIEB CCC/C(Cl)=N/OC(=O)Nc1cc(F)ccc1C 100228731 GXDTXGORRHGOBV-WJDWOHSUSA-N 272.707 4.035 30 40 CIEB C/C(=C\C(=O)c1ccc(F)cc1)Nc1ccc(F)c(F)c1 108354488 NMUNHXJENSXYCL-CSKARUKUSA-N 291.272 4.303 30 40 CIEB C=C(CCCC(C)(C)OCOCCOC)[Si](C)(C)C 195760019 GDWBVQVCMTWIGM-UHFFFAOYSA-N 288.504 4.006 30 40 CIEB CCCc1ccc(C#N)n1Cc1ccc(Cl)cc1 226026249 GTOOMZYUZNBZEK-UHFFFAOYSA-N 258.752 4.014 30 40 CIEB N#Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 73379 MXFBVEQIFXQQFJ-UHFFFAOYSA-N 292.121 4.084 30 40 CIEB COc1ccccc1Nc1nc2c(C)cccc2cc1C#N 421804 JCZUKBMQBQFZDZ-UHFFFAOYSA-N 289.338 4.167 30 40 CIEB N#CCCCCC#CC#CCCCCCCCCC(=O)O 3218496 RKVMFVRZKSUEGL-UHFFFAOYSA-N 287.403 4.283 30 40 CIEB C/C(=N\Nc1nc2ccc(Cl)cc2o1)c1ccccc1 4899195 XSJDAXYHQNNLJN-VCHYOVAHSA-N 285.734 4.317 30 40 CIEB Oc1ccc(Cl)cc1/C=N/c1ccc(F)c(F)c1 5287542 GPOKYHINXKXHKZ-REZTVBANSA-N 267.662 4.074 30 40 CIEB COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(F)cc1 5917934 GGWSZRUAUNUCFR-XBXARRHUSA-N 290.721 4.384 30 40 CIEB CCCC[C@@H](CC)[C@H](O)C#Cc1cccc(Cl)c1 95631772 HKWSKUGLUUXABM-GDBMZVCRSA-N 264.796 4.269 30 40 CIEB CC(=O)/C=C/[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O 100647122 SNUHZNCSBAQVJV-NQYHHCFLSA-N 278.436 4.125 30 40 CIEB C#CCOc1ccccc1/C=N/c1ccc(C)c(Cl)c1 409209183 GRDTWRPUCAVDJV-XDHOZWIPSA-N 283.758 4.411 30 40 CIEB CCCc1nc(Cl)c(C#N)c2c1CSC(C)(C)C2 4784548 YNSYHMZRUSQXGX-UHFFFAOYSA-N 280.824 4.127 30 40 CIEB CC1(C)OC(=O)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21 13491408 KVMSWMUZFCLLFV-UHFFFAOYSA-N 296.301 4.162 30 40 CIEB C=CCn1c([C@H](C)N2CCCCCC2)nc2ccccc21 82086976 QSPQPGXYFZYUKS-HNNXBMFYSA-N 283.419 4.159 30 40 CIEB Cc1cccc(/N=C\c2cc([N+](=O)[O-])ccc2Cl)c1 101433705 CPTZABDLQODXOG-SXGWCWSVSA-N 274.707 4.307 30 40 CIEB O=C(/C=C/c1cccc2ccccc12)c1cccc(O)c1 6647463 MPDOCAPNXOLTDH-VAWYXSNFSA-N 274.319 4.442 30 40 CIEB Oc1ccccc1/C=N/Cc1ccc(C(F)(F)F)cc1 57411798 YQJCVOGDWRDYKU-VXLYETTFSA-N 279.261 4.030 30 40 CIEB CCCC[C@@H](CC)[C@H](O)C#Cc1ccc(OCC)cc1 95632067 IXXFXKGWMUJSAE-SJLPKXTDSA-N 274.404 4.014 30 40 CIEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccccc1 409230928 ABWOYABAXWWOIH-HMMYKYKNSA-N 294.398 4.436 30 40 CIEB Oc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)cc1O 46050 HFQBYKCWNUQDAX-FRKPEAEDSA-N 282.126 4.155 30 40 CIEB CCCCCCCCNC(=O)c1ccc(Cl)cc1 2057623 ATBPACOLQNZTGG-UHFFFAOYSA-N 267.800 4.430 30 40 CIEB Cc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C)C3)o1 3228538 KSLYMBXLFFZIDL-NTOSSWPYSA-N 284.384 4.397 30 40 CIEB Cc1ccc2nsnc2c1/N=C/c1c[nH]c2ccccc12 5619237 LRZSYVVFLVVBOP-GIJQJNRQSA-N 292.367 4.232 30 40 CIEB N#Cc1ccc(Nc2ccc(Cl)cc2Cl)c(N)c1 35674488 FXPJNSCNZQGJHE-UHFFFAOYSA-N 278.142 4.191 30 40 CIEB N#CC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1CC#N 255187878 HHZFNRNRVYFBFT-VCAKUFKGSA-N 284.362 4.337 30 40 CIEB C=CCN(C)C(=O)Nc1c(C)cc(C(C)C)cc1C 390835468 OMYTYSUAWPZTCW-UHFFFAOYSA-N 260.381 4.077 30 40 CIEB C/C(=N/Nc1nc2ccccc2n1C)c1ccc(Cl)cc1 408646373 AWSJVSFKGICKCQ-ODLFYWEKSA-N 298.777 4.063 30 40 CIEB N#Cc1ccc(CSc2nnc(C3CCCCC3)o2)cc1 4891923 FQLRUUREMARBED-UHFFFAOYSA-N 299.399 4.281 30 40 CIEB CSc1ccc(/C=C/C(=O)c2cccs2)cc1 5746877 HEUXKXFETUOILU-RMKNXTFCSA-N 260.383 4.366 30 40 CIEB C=CCOc1ccc(CNC2CCCCCC2)cc1 6856060 XCPIBRZGNFFUNS-UHFFFAOYSA-N 259.393 4.064 30 40 CIEB CCCCCCNc1nc(CC)c2c(c1C#N)CCCC2 20841637 UNYSDWSNWOQBOO-UHFFFAOYSA-N 285.435 4.387 30 40 CIEB O=C(/C=C/Nc1ccccc1F)c1ccc(Cl)cc1 32100110 BGMNEBATASWZCS-MDZDMXLPSA-N 275.710 4.288 30 40 CIEB N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NC1CCCC1 96346464 OSUALGIRKBEKRA-HUUCEWRRSA-N 293.370 4.172 30 40 CIEB CCOc1ccc(N/C=C2\C(=O)[C@]3(C)CC[C@H]2C3(C)C)cc1 100362975 GYVCCTGMMFPHGW-ODZJZLKASA-N 299.414 4.406 30 40 CIEB Cc1ccc(/C=N/Nc2ccccc2)cc1Br 409223424 FLNRJMHMLQWSIX-MHWRWJLKSA-N 289.176 4.204 30 40 CIEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cccc(Cl)c1 664443064 BBJSIFVFXCDNDI-OKILXGFUSA-N 276.767 4.055 30 40 CIEB Oc1ccc(Cl)cc1/C=N/c1cccc(Cl)c1 292518 WWQNRMAULXTBRX-LZYBPNLTSA-N 266.127 4.450 30 40 CIEB C#CCCCCCC/C=C\CCCCCC[C@@H](O)C(=O)O 22060962 LQQRDGQTNVSFHM-DOOKAGJSSA-N 294.435 4.303 30 40 CIEB in-vitro CCCCCc1c(N)cc(C#N)n1Cc1ccc(C)cc1 225856256 AKEKBYAPNYGUAY-UHFFFAOYSA-N 281.403 4.031 30 40 CIEB C=C[C@@]1(C)CC[C@H]2[C@H](O1)c1ccccc1OC2(C)C 519530 WNGKNBXEGIYGPF-LXZKKBNFSA-N 258.361 4.270 30 40 CIEB C(=N/N(Cc1ccccc1)c1ccccc1)\c1ccccn1 5603464 FKMPXTDNNBCEAG-RCCKNPSSSA-N 287.366 4.122 30 40 CIEB N#Cc1ccc(SC(F)(F)F)c(C(F)(F)F)c1 91252716 PMNZUMQUPQEZRQ-UHFFFAOYSA-N 271.185 4.189 30 40 CIEB N#Cc1ccc(Sc2nc3ccccc3s2)cc1C#N 360343 KFNTTWKNNQEPTK-UHFFFAOYSA-N 293.376 4.191 30 40 CIEB SCCSC(c1ccccc1)c1ccccc1 4984029 JUHMSBSITSNFFN-UHFFFAOYSA-N 260.427 4.439 30 40 CIEB N#Cc1ccc(CSc2ccc3c(c2)OCCCO3)cc1 6436882 CXLGAMCEZFHUNE-UHFFFAOYSA-N 297.379 4.012 30 40 CIEB C=CCSc1nc(C)cc(C)c1C(=O)Nc1ccccc1 6589240 KVTIEQXAZWFQBV-UHFFFAOYSA-N 298.411 4.229 30 40 CIEB COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1 7743354 QTSKMQDAUFJRFB-YRNVUSSQSA-N 266.340 4.208 30 40 CIEB CCCCCCCCCCCNC(=O)NC(F)(F)F 100608336 ZBBUZOYKHZRIHF-UHFFFAOYSA-N 282.350 4.336 30 40 CIEB C=C(C)C1(C(C)=O)[C@@H]2CC[C@@H]1c1c(F)c(F)c(F)c(F)c12 101049647 WVZWMBUOSUZDIG-RKDXNWHRSA-N 298.279 4.369 30 40 CIEB Cc1oc(/N=C/c2ccccc2Cl)c(C#N)c1C 408719539 SLFWROPGXLIWIP-CAOOACKPSA-N 258.708 4.172 30 40 CIEB Cc1ccsc1/C=C/C(=O)c1cc(Cl)ccc1O 7141242 ZNVODTZZGHSAGN-SNAWJCMRSA-N 278.760 4.312 30 40 CIEB CCc1ccc(/N=C/c2cc(Cl)c(O)c(OC)c2)cc1 8084260 ABIHJXLVTABIBP-VCHYOVAHSA-N 289.762 4.367 30 40 CIEB CC[C@H](C)C[C@](C)(O)C#Cc1ccc(F)c(Cl)c1 95632848 JWBVAFSKNTUZMI-XHDPSFHLSA-N 268.759 4.018 30 40 CIEB C=CCSc1ccccc1C(=O)NCc1cccc(C)c1 219813378 QFDIQSSJGMBNFK-UHFFFAOYSA-N 297.423 4.203 30 40 CIEB COc1ccc2c(c1)CCC1=C2CCC2=CC(=O)CC[C@]21C 1702650 LIWPFSRVWYAGHN-HXUWFJFHSA-N 294.394 4.484 30 40 CIEB C=CCSc1nc2ccc(NC(=O)CCC)cc2s1 2366913 OJTWQQISGXZKFW-UHFFFAOYSA-N 292.429 4.313 30 40 CIEB CC1(C)C[C@@]2(C)C[C@@](O)(C1)[C@@]13CCC(C)(C)C[C@]1(C2)O3 4127743 UFSXGZYPTCAWHX-FJIDUMEYSA-N 278.436 4.056 30 40 CIEB O=[N+]([O-])c1cccc(N/N=C/c2cccc3ccccc23)c1 4922926 SIXFLWKFRHHCFT-LDADJPATSA-N 291.310 4.194 30 40 CIEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N[C@@H](C)c1ccccc1)C2 5041302 VLPXYKQCRKJVMZ-AXHNFQJDSA-N 283.415 4.246 30 40 CIEB COc1ccccc1/C=C/C(=O)c1ccc(C)c(C)c1 7743371 HKOUHDNOFWJGLO-ZHACJKMWSA-N 266.340 4.208 30 40 CIEB CCCc1cc(C(=O)Oc2ccc(C#N)cc2)sc1C 7814793 ICBLORILXHPICP-UHFFFAOYSA-N 285.368 4.100 30 40 CIEB C=C(Br)Cc1ccc2cc(OC)ccc2c1 95727311 GFBGCVGLNMDGAL-UHFFFAOYSA-N 277.161 4.300 30 40 CIEB CCCCCCCC/C=N\Nc1ccc([N+](=O)[O-])cn1 104374518 FUNOOJDMPPOHKG-WJDWOHSUSA-N 278.356 4.138 30 40 CIEB CCCCCCCNc1ncnc2c1[nH]c1ccccc12 2405185 FHVYRBNZFSMCRT-UHFFFAOYSA-N 282.391 4.493 30 40 CIEB CCCCCCCC(=O)NCCCc1ccccc1 2737901 QVXQBBQRCSKQEV-UHFFFAOYSA-N 261.409 4.096 30 40 CIEB CC/C(=C/c1ccc(OC)cc1)C(=O)c1ccc(OC)cc1 5761787 RIAYGXNEKYIZQL-SQFISAMPSA-N 296.366 4.380 30 40 CIEB C[C@@H](C#N)CSc1ccccc1NC(=O)C1CCCC1 65453407 PQMALJZKUXBNBM-LBPRGKRZSA-N 288.416 4.067 30 40 CIEB CCCC[C@@H](CC)[C@@H](O)C#Cc1ccc(CC)cc1 95632164 IOKMJMMDNWIBAE-MSOLQXFVSA-N 258.405 4.178 30 40 CIEB C/C(=N\O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 100067406 PIHZZUFCHDOHIX-DJKKODMXSA-N 296.248 4.091 30 40 CIEB C(=N/Cc1ccccc1)\c1ccc(N2CCCCC2)cc1 140311581 OEPZIPBQXMZCEN-CAPFRKAQSA-N 278.399 4.296 30 40 CIEB COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1O 409209664 HNYDIBJOZAEKGP-GIJQJNRQSA-N 289.762 4.422 30 40 CIEB COc1ccc(/C=N/c2cccc(C)c2C)c(OC)c1 409212671 RNNVTDSCPWDGAU-WOJGMQOQSA-N 269.344 4.071 30 40 CIEB C=C1CCC(NC(=O)c2ccc3ccccc3c2)CC1 618257363 USCMZNIDKWXIIA-UHFFFAOYSA-N 265.356 4.068 30 40 CIEB C#CCOc1ccc(Cl)cc1/C=N/c1ccc(C)cc1 8371810 CXTFMCSUGHAYAA-XDHOZWIPSA-N 283.758 4.411 30 40 CIEB OC1=NC(=N\c2ccccc2)/C(=C/c2cccs2)S1 16754379 JAFJJAYVEDNOEM-XFXZXTDPSA-N 286.381 4.480 30 40 CIEB O/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 20429027 LYUSEULIKOFCHI-MKMNVTDBSA-N 256.088 4.062 30 40 CIEB CSc1ccc(/C=C(\C)C(=O)c2ccc(O)cc2)cc1 25435741 SBEJCBJZTCDUOH-VAWYXSNFSA-N 284.380 4.400 30 40 CIEB C/C(C[C@@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]21C)=N\O 43146965 UQZPTNMTFZKAOM-YIVUMPCASA-N 281.440 4.220 30 40 CIEB CCCCCCCC(=O)c1cc(OC)ccc1OC 101472488 MNVYZOBNFNHVTR-UHFFFAOYSA-N 264.365 4.247 30 40 CIEB O[C@@H]1c2ccccc2-c2ccc(/N=C\c3ccccc3)cc21 104256515 QRPSVFLMXQVQDM-TUNPGAEXSA-N 285.346 4.499 30 40 CIEB O=C1/C(=C\c2ccc(F)cc2)CCc2ccccc21 102628 UFYHKHRBFAQTGQ-KAMYIIQDSA-N 252.288 4.038 30 40 CIEB CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 520509 HWRPFUBLJOKEDC-JTQLQIEISA-N 290.432 4.119 30 40 CIEB Cc1ccccc1NC(=O)Nc1sc(C)c(C)c1C#N 24568634 LBNHZVIOPZKZTL-UHFFFAOYSA-N 285.372 4.189 30 40 CIEB Cc1ccc(Nc2oc(-c3cccs3)nc2C#N)cc1 27664185 QCISYWUGPXDIJA-UHFFFAOYSA-N 281.340 4.327 30 40 CIEB N#CC1(N[C@@H](Cc2ccccc2)c2ccccc2)CCCC1 31729023 TUWNLCIPDGATAK-IBGZPJMESA-N 290.410 4.396 30 40 CIEB CCCN(/C=C/C=C/C=[N+](CCC)CCC)CCC 95858503 NDCPWZROEQHNSK-UHFFFAOYSA-N 265.465 4.082 30 40 CIEB Cc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 96429710 LRAKPVMFENQNBQ-CXUHLZMHSA-N 274.707 4.307 30 40 CIEB Cc1ccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1Cl 408903853 AJTDXAPOIGGUNJ-LZYBPNLTSA-N 290.706 4.013 30 40 CIEB C#CCOc1ccccc1/C=N/c1cccc(C)c1C 409215393 XUGRLTNTPBLUGC-CPNJWEJPSA-N 263.340 4.066 30 40 CIEB CCCC/N=C(/Nc1ccc(Cl)cc1)c1cccnc1 4051857 YLGSKIYRXQWETP-UHFFFAOYSA-N 287.794 4.394 30 40 CIEB Fc1ccc(N/N=C/c2ccc(Cl)cc2)c(F)c1 4919994 PHKNCTQCLGPQMI-CAOOACKPSA-N 266.678 4.064 30 40 CIEB O=C(/C=C/c1cccc2ccccc12)c1ccccn1 16952772 AAVWDHRTGKVFBW-VAWYXSNFSA-N 259.308 4.131 30 40 CIEB C=C1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 21992384 KQRGETZTRARSMA-DAELLWKTSA-N 298.426 4.254 30 40 CIEB in-vitro CCCC[C@H](CC)[C@H](O)C#Cc1cc(F)cc(Cl)c1 95633313 FGNONVSWGDCGGT-XJKSGUPXSA-N 282.786 4.408 30 40 CIEB C=CCCCCOc1ccc(Br)c(C)c1 308794598 GDRZUJTXLFQIIX-UHFFFAOYSA-N 269.182 4.493 30 40 CIEB N#Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 11832843 PPISRCWDRONNCG-UHFFFAOYSA-N 278.138 4.444 30 40 CIEB C#CCCCCCC/C=C\CCCCCC[C@H](O)C(=O)O 22060959 LQQRDGQTNVSFHM-IBSYWUHOSA-N 294.435 4.303 30 40 CIEB in-vitro C/C(=N/N=C(c1ccccc1)c1ccccc1)c1cccnc1 38200760 DBFRLKBXXVXHAN-JWGURIENSA-N 299.377 4.343 30 40 CIEB CCCN(CC#Cc1ccccc1OC(F)(F)F)CCC 95633940 HWQKEEKWZFRZKF-UHFFFAOYSA-N 299.336 4.059 30 40 CIEB CCCCCCCCOC(=O)c1ccc(Cl)c(N)c1 100038974 KIYFSOPXGMIWCU-UHFFFAOYSA-N 283.799 4.440 30 40 CIEB O/N=C1\[C@H]2CC[C@@H](C2)[C@@H]1N(c1ccccc1)c1ccccc1 100965620 IDLFGPRFKIVCEI-XOMLZULUSA-N 292.382 4.453 30 40 CIEB Cc1c(/C=N/c2cccc([N+](=O)[O-])c2)c2ccccc2n1C 408850208 IFLSHYAUUMQZFW-WOJGMQOQSA-N 293.326 4.146 30 40 CIEB COc1ccc(-n2cccc2/C=N\C2CCCCC2)cc1 408950038 DESOVNZEXHSAPB-RGEXLXHISA-N 282.387 4.238 30 40 CIEB O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 5214117 LVFQHTGZZRBKAE-CMDGGOBGSA-N 293.278 4.237 30 40 CIEB CCSc1nc(C(C)(C)C)cc(C(F)(F)F)c1C#N 8843586 CIUCBIRSMXUJCS-UHFFFAOYSA-N 288.338 4.382 30 40 CIEB N#Cc1ccc(OCCOc2cccc3ccccc23)cc1 14738421 HJYZDPLVWXQZFC-UHFFFAOYSA-N 289.334 4.169 30 40 CIEB Clc1ccc(/C=N\Nc2ccccc2)c(Cl)c1 17325774 IWZKRFCQRXJQIZ-SXGWCWSVSA-N 265.143 4.439 30 40 CIEB O=C1Nc2ccccc2/C1=C\C(=O)c1cccc2ccccc12 32012538 GMQCTNXIZYLDBC-SFQUDFHCSA-N 299.329 4.058 30 40 CIEB CCCCC[C@H](O)C#Cc1ccc(Cl)c(Cl)c1 95633471 UVCLZNRAFKCNHY-LBPRGKRZSA-N 271.187 4.286 30 40 CIEB Oc1cccc(N=Cc2c(O)ccc3ccccc23)c1 254489763 YQOYKUDGUDTBLW-UHFFFAOYSA-N 263.296 4.002 30 40 CIEB C=CCc1cc(/C=N/c2ccccc2)cc(OCC)c1O 408852354 JVLUEECQIIOTLG-CPNJWEJPSA-N 281.355 4.270 30 40 CIEB CN1/C(=C\C(=O)c2cccs2)C(C)(C)c2ccccc21 12374443 SYIQCWWBAWXTEM-WJDWOHSUSA-N 283.396 4.242 30 40 CIEB Fc1cccc(N/C(S)=N\Cc2ccccc2Cl)c1 13659071 WIKZVRMALNXBIW-UHFFFAOYSA-N 294.782 4.377 30 40 CIEB CCCCCCCCCC[N+]1(C)[C@H]2CC[C@H]1CC(O)C2 100301032 VYCXSKHVAUYCSH-YXWAVELNSA-N 282.492 4.259 30 40 CIEB C[C@@]12CCC[C@@]1(O)[C@@H]1CCC3=CC(=O)CC[C@]3(C)[C@H]1CC2 118914979 ZWQVJUXPAQQVEQ-XCDZQEORSA-N 288.431 4.023 30 40 CIEB O/N=C(/c1ccc(Cl)cc1)[C@@H]1C[C@H]1c1ccccc1 5684715 WFQZPHNZEAURIF-AKGDMDMESA-N 271.747 4.322 30 40 CIEB N#Cc1ccc(NC(=O)c2csc3ccccc23)cc1 25982733 RNENJIGRMFBUAY-UHFFFAOYSA-N 278.336 4.025 30 40 CIEB Cc1cccc2c1N=C(O)/C2=N\Nc1cccc(Cl)c1C 47952011 BMCMYYYIVLUBQN-UHFFFAOYSA-N 299.761 4.375 30 40 CIEB N#CC1(c2cccc3c(Br)cccc23)CC1 261222350 LTPWRAPBNDFZCK-UHFFFAOYSA-N 272.145 4.157 30 40 CIEB CC(C)=CC(=O)c1c(C)cc(Br)cc1C 308813883 UFRLJSFQZLUEGS-UHFFFAOYSA-N 267.166 4.215 30 40 CIEB C=C(Br)Cc1cc(F)cc(Br)c1 1848444272 QUQIHZYZMOIKMG-UHFFFAOYSA-N 293.961 4.039 30 40 CIEB C=CCNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 4813933 NCAATMFMOSDAHM-UHFFFAOYSA-N 296.153 4.169 30 40 CIEB C=CCn1c(C)c(/C=C/c2cc[n+](C)cc2)c2ccccc21 4932886 WEKCHQWIHXMXIP-UHFFFAOYSA-N 289.402 4.131 30 40 CIEB CC(C)(C)C(=O)/C=C(/c1ccccc1)N1CCCCC1 22340664 BITVRXLNGPYADX-PEZBUJJGSA-N 271.404 4.129 30 40 CIEB COc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1 95935780 FGYUIVYDRBJTNP-SXGWCWSVSA-N 290.706 4.007 30 40 CIEB CCCCCCCCCC(=O)N(C)CCCCCC(=O)O 100921886 LRKVWTZFVFCOGB-UHFFFAOYSA-N 299.455 4.231 30 40 CIEB CC(C)c1ccccc1/N=C/c1ccc(O)c([N+](=O)[O-])c1 408963035 LSKADFRAEDVRIP-LICLKQGHSA-N 284.315 4.174 30 40 CIEB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C#Cc1ccccc1 13405479 WDOZQXWWPJRUPB-NJAFHUGGSA-N 284.399 4.042 30 40 CIEB CN(Cc1ccc(C#N)cc1)[C@H]1CCCc2ccccc21 15261609 SOYXYRYXPBPZPB-IBGZPJMESA-N 276.383 4.068 30 40 CIEB O=C(/C=C/Oc1cccc2cccnc12)c1ccc(F)cc1 16448792 BXIMYMANUSZLDL-ZRDIBKRKSA-N 293.297 4.149 30 40 CIEB COc1ccc(/C=C2\C(=O)[C@H](c3ccccc3)C=C2C)cc1 16694166 KELZEBAUXVZTKJ-LJLZWOEMSA-N 290.362 4.391 30 40 CIEB N#Cc1cccc(NCc2cc3cc(F)ccc3o2)c1 95983161 PEYYIXRCRSIGCJ-UHFFFAOYSA-N 266.275 4.056 30 40 CIEB COc1ccc2ccccc2c1/C=N/c1cccc(CO)c1 65465 YBRMRKDYCIDLMK-UDWIEESQSA-N 291.350 4.091 30 40 CIEB CCOc1cccc(/C=N/c2cccc(Cl)c2)c1O 5286758 ILTFOWOFUYHTAC-LICLKQGHSA-N 275.735 4.195 30 40 CIEB C=CCN(Cc1cccs1)C(=O)Nc1ccc(C)cc1 8745093 ZEFLNYCTIHIUCM-UHFFFAOYSA-N 286.400 4.277 30 40 CIEB CC(=O)/C=C/[C@@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]21C 18158564 SNUHZNCSBAQVJV-KRMYAZQASA-N 278.436 4.125 30 40 CIEB N#Cc1c(N2CCCC2)nc(C2CCCCC2)c2c1CCC2 31807333 XDSGMHMCWRIDTN-UHFFFAOYSA-N 295.430 4.090 30 40 CIEB COc1ccc2cccc(C3(C#N)CCCC3)c2c1 1614663171 LHKFBZOMTXONOL-UHFFFAOYSA-N 251.329 4.184 30 40 CIEB O=C(/C=C/c1ccccc1OC(F)F)c1cccs1 4854927 YDTDXKKEXMIKNC-BQYQJAHWSA-N 280.295 4.246 30 40 CIEB C=CCCCCCCCCC(=O)NCc1cccnc1 5010463 BNNWRZUACUPXBJ-UHFFFAOYSA-N 274.408 4.005 30 40 CIEB C=CCOc1ccc(/C=C/C(=O)c2ccc(C#N)cc2)cc1 12809483 LLXGUCKDMFANAE-KPKJPENVSA-N 289.334 4.019 30 40 CIEB N#Cc1ccc(Nc2cccc(Cl)c2Cl)c(N)c1 35674616 LWKYYJDVZVDBGY-UHFFFAOYSA-N 278.142 4.191 30 40 CIEB [N-]=[N+]=Nc1cc2ccc(OC3CCCC3)cc2oc1=O 72219797 RUMLWYIMBZJABI-UHFFFAOYSA-N 271.276 4.056 30 40 CIEB C[C@](O)(C#Cc1cc(Cl)cc(Cl)c1)c1ccccc1 95632923 LFEUQWFNUAEDJJ-INIZCTEOSA-N 291.177 4.253 30 40 CIEB CCCCN1c2cc(F)c(C#N)cc2C(C)=CC1(C)C 223792822 PVTZEMOAMIJKEP-UHFFFAOYSA-N 272.367 4.499 30 40 CIEB C=CCc1cc(C(=O)Nc2ccc(CC)cc2)ccc1OC 408705403 DZKLTWILJZJCOR-UHFFFAOYSA-N 295.382 4.238 30 40 CIEB CCc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1 6297263 GJAGRXCVCQZNLN-AWQFTUOYSA-N 293.292 4.109 30 40 CIEB N#CCOc1ccccc1/C=C/c1nc2ccccc2s1 6840257 ADLQDPZJJYLFDM-MDZDMXLPSA-N 292.363 4.369 30 40 CIEB Fc1ccc(/N=C/c2ccc(N3CCCC3)cc2)c(F)c1 100252206 ATGYWMGKJULHLP-UDWIEESQSA-N 286.325 4.316 30 40 CIEB CC(C)=CC(=O)c1cc(OC(F)(F)F)ccc1Cl 575361467 HRFQDYWKLCVMLH-UHFFFAOYSA-N 278.657 4.388 30 40 CIEB O=C1C(O)=C(CC=C2CCCCC2)C(=O)c2ccccc21 4963509 GEZQZCKJPWAANG-UHFFFAOYSA-N 282.339 4.158 30 40 CIEB Cc1cc(N/N=C/c2ccc(O)cc2)c2cccc(C)c2n1 5006973 WSKUCIMENIWKLD-YBFXNURJSA-N 291.354 4.003 30 40 CIEB Cc1nc(N/N=C/c2ccc(C(C)C)cc2)sc1C 13943454 YVHJHIUYDJCMQN-CXUHLZMHSA-N 273.405 4.329 30 40 CIEB Cc1ccc(CCC(=O)Nc2ccc(C#N)cc2)cc1Cl 24689759 HWLQZEJVKQOMFV-UHFFFAOYSA-N 298.773 4.091 30 40 CIEB CCCC[C@@H](CC)[C@H](O)C#Cc1cc(Cl)ccc1OC 95631524 JCADREQFGPTGQD-CZUORRHYSA-N 294.822 4.277 30 40 CIEB Clc1cnc(N/N=C2/CCc3ccccc32)c(Cl)c1 96708659 COUWZPAZIGKZIJ-AQTBWJFISA-N 292.169 4.151 30 40 CIEB COc1ccc(/C=N\C23CC4CC(CC(C4)C2)C3)cc1 100354102 CIJYMDAJQWMQSG-UNOMPAQXSA-N 269.388 4.083 30 40 CIEB Cn1cccc1/C=N\c1cccc(Cl)c1Cl 409090558 RELNZBYINQMKIB-NVNXTCNLSA-N 253.132 4.083 30 40 CIEB N#C[C@@H](Nc1ccccc1)c1ccc(Br)cc1 479559 SVIFZOGVKKKEPQ-CQSZACIVSA-N 287.160 4.126 30 40 CIEB Oc1ccccc1/C=N/c1ccc(Cl)c2cccnc12 3122812 MVWCJKYEPXFMET-VXLYETTFSA-N 282.730 4.344 30 40 CIEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)C2 5295975 XLLSPLQKTNGEIA-GWSXQGJHSA-N 287.363 4.209 30 40 CIEB COc1ccc(Cl)cc1/N=C/c1cccc([N+](=O)[O-])c1 18042711 XQAZVHBEJNCNCT-CXUHLZMHSA-N 290.706 4.007 30 40 CIEB C(#C[C@H](c1ccccc1)C1CCCC1)CN1CCCCC1 96194480 DKJVBZHPGUUOJX-HXUWFJFHSA-N 281.443 4.450 30 40 CIEB Fc1ccccc1/C=N/c1cccc2cnccc12 100935544 UYBBYUMVWXFBEG-YBFXNURJSA-N 250.276 4.125 30 40 CIEB Cc1ccc(C)c(N/C=C\C(=O)c2ccccc2)c1 104732125 SARYOFMRLSHZFE-KHPPLWFESA-N 251.329 4.112 30 40 CIEB Cc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1 9195911 GIEKAZSAVPLWTK-GIJQJNRQSA-N 293.197 4.426 30 40 CIEB C[C@@H](NCc1cccc(C#N)c1)c1cccc(Cl)c1 11038163 AYYHIIXBUHCHBN-GFCCVEGCSA-N 270.763 4.062 30 40 CIEB CCc1c(C)nc2ccc(OC)cc2c1SCCC#N 13284518 XWQDUNPYGOGWBB-UHFFFAOYSA-N 286.400 4.120 30 40 CIEB CN(C)c1ccc(/C=C/C=C\C(=O)c2ccccc2)cc1 16979463 LPBLXAAJRXCURS-VJUDZZRDSA-N 277.367 4.205 30 40 CIEB CCCCCCCCNC1=CC(=O)CC(C)(C)C1 17544530 MPTYCSJLYZKNAL-UHFFFAOYSA-N 251.414 4.210 30 40 CIEB CN1/C(=C\C=C2\CCCCC2=O)C(C)(C)c2ccccc21 32876359 PEPHPBYXAQUUNI-REFMDLPBSA-N 281.399 4.367 30 40 CIEB N#Cc1c(Cl)nc2c(c1-c1ccc(F)cc1)CCCC2 41463311 ZCFQVVMCYXFCQE-UHFFFAOYSA-N 286.737 4.292 30 40 CIEB CSc1cccc(NC(=S)Nc2cccc(C#N)c2)c1 71761309 QEWDTYLPFTVSSJ-UHFFFAOYSA-N 299.424 4.089 30 40 CIEB CC/C(Cl)=N\OC(=O)Nc1ccc(C(C)C)cc1 100228723 KGXGIBGBLJSDEY-FOWTUZBSSA-N 268.744 4.321 30 40 CIEB CCCCCCCOc1ccc(C(=O)NC(C)C)cc1 103016950 XCVGORWWVSNVQK-UHFFFAOYSA-N 277.408 4.174 30 40 CIEB CC(C)c1ccc(C(=O)n2ccc3ccc(C#N)cc32)cc1 216961272 UQMWALSXVORSHJ-UHFFFAOYSA-N 288.350 4.325 30 40 CIEB CCCCCCCCO/C=C/C(=O)NC1CCCCC1 255189550 QOJMEDKNCQJAHR-FYWRMAATSA-N 281.440 4.326 30 40 CIEB CCN(CC)c1cccc(/C=N/c2ccc(C(C)=O)cc2)c1 334940 YBAHFIFOVZMHDH-XSFVSMFZSA-N 294.398 4.486 30 40 CIEB Cc1ccc(-c2nc(C#N)c(N3C[C@H](C)C[C@@H](C)C3)o2)cc1 536209 VLQDTLPUUBCVRA-ZIAGYGMSSA-N 295.386 4.004 30 40 CIEB CC(C)(C)c1cc(-c2ccco2)c(C#N)c(SCC#N)n1 2347012 TYDANJRSIJWWDR-UHFFFAOYSA-N 297.383 4.126 30 40 CIEB N#C[C@@H]1c2ccccc2C=CN1C(=O)c1ccccc1Cl 3119091 JFNZPEKSUNDYKY-MRXNPFEDSA-N 294.741 4.031 30 40 CIEB CC[C@H](C)c1ccc(C(=O)COc2cccc(C#N)c2)cc1 3444357 XTKVBWWVBXMJBL-AWEZNQCLSA-N 293.366 4.333 30 40 CIEB Cc1ccc(N/N=C/c2ccc(F)cc2F)cc1Cl 5163480 SJMNWJGCWVBOOI-QGMBQPNBSA-N 280.705 4.373 30 40 CIEB C/C(=N\Nc1cc(C)c2cc(C)ccc2n1)c1ccccn1 5392966 MQAAKPITBPYSEY-KGENOOAVSA-N 290.370 4.083 30 40 CIEB Cc1cccc(/N=C/c2sc3ccccc3c2O)n1 13118958 YQQBYLAWWRXJMW-CXUHLZMHSA-N 268.341 4.061 30 40 CIEB Cc1ccc2c(C)cc(Sc3ncccc3C#N)nc2c1 32735907 BYLTYTHAZQMBMB-UHFFFAOYSA-N 291.379 4.270 30 40 CIEB CC(C)(C)[C@H]1CCCC[C@@H]1NCc1cccc(C#N)c1 35255163 WEUIHWIUBGYHOW-IRXDYDNUSA-N 270.420 4.253 30 40 CIEB CCCC[C@@H](CC)[C@@H](O)C#Cc1ccc(F)cc1C 95632302 JXTZREPIRYUSOU-PBHICJAKSA-N 262.368 4.063 30 40 CIEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C/c1ccc(F)cc1 102447986 JKAHDFOOITVPQI-VWCPWKCOSA-N 258.336 4.234 30 40 CIEB Cc1ccc(/N=C\c2cc(C)c(O)c(C)c2)c(C)c1 107681215 GVCQYRSQNJBKJB-ZDLGFXPLSA-N 253.345 4.376 30 40 CIEB N#Cc1ccc2ccn(Cc3ccccc3Cl)c2c1 216945212 HLEWLXRQMLUAFB-UHFFFAOYSA-N 266.731 4.215 30 40 CIEB C#CCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1 409213719 SRSQDGQOUIKTSP-XDHOZWIPSA-N 283.758 4.411 30 40 CIEB C/N=C(\NC)SCc1c(C)cc(C(C)(C)C)cc1C 6560498 HWTQWFXQPWYHNZ-UHFFFAOYSA-N 278.465 4.039 30 40 CIEB C=C(C)C(=O)Nc1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 7343584 BYDKQEIVDIWMPJ-UHFFFAOYSA-N 291.354 4.053 30 40 CIEB CCCCCCCCNC(=O)COc1ccc(Cl)cc1 8452388 TUUQQYLBIYSYRR-UHFFFAOYSA-N 297.826 4.196 30 40 CIEB Clc1cccc(/C=N\N=C/c2cccc(Cl)c2)c1 17325108 XMOVWXSCYLINBJ-XFQWXJFMSA-N 277.154 4.446 30 40 CIEB C#C[C@@](C)(O)c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C 96171781 YBKAUPZMOYBDMT-LJQANCHMSA-N 270.416 4.122 30 40 CIEB CCOc1ccc(/C=N/c2ccc(C)c(F)c2)cc1 65537 OIFYKJWSAUMCNV-WOJGMQOQSA-N 257.308 4.283 30 40 CIEB COc1cccc(/C=N/Nc2ccc(Cl)c(Cl)c2)c1 4922042 ZJROPYUPLWENOI-RQZCQDPDSA-N 295.169 4.448 30 40 CIEB COc1ccccc1/N=C/c1ccc(Br)cc1 5361800 VINDSFXOOQNURR-MHWRWJLKSA-N 290.160 4.208 30 40 CIEB CCC1CCC(=NNc2ccc(Cl)c(C(=O)O)c2)CC1 5417502 JWOMWHBCYRDBPN-UHFFFAOYSA-N 294.782 4.406 30 40 CIEB O=C(C=C1SCCS1)/C=C/c1ccc(Cl)cc1 6511989 KRLVHPDIDCYCJD-ZZXKWVIFSA-N 282.817 4.244 30 40 CIEB OC(/C=C\C=Nc1ccccc1)=C/Nc1ccccc1 255003899 FRTAERDOEYOBNW-NCSKGTHRSA-N 264.328 4.457 30 40 CIEB C#CCOc1ccc(CNc2ccccc2C)cc1OCC 409122173 YFWYNLMNBZNSBG-UHFFFAOYSA-N 295.382 4.018 30 40 CIEB O=C(/C=C/Nc1cccc(O)c1)c1cccc2ccccc12 409178739 MZZQWLLPUNYJGY-VAWYXSNFSA-N 289.334 4.354 30 40 CIEB COc1ccccc1Nc1nc2cc(C)ccc2cc1C#N 422291 IWSRSJLEYGIENP-UHFFFAOYSA-N 289.338 4.167 30 40 CIEB N#Cc1ccc([C@@H]2Nc3ccccc3[C@H]3OCCC[C@H]32)cc1 4623697 QHVDONLMIINFHQ-YTQUADARSA-N 290.366 4.193 30 40 CIEB C/C(=N\Nc1ccc(F)cc1F)c1ccc(C)c(C)c1 4921156 JJNFKQOYGLIKRR-XDHOZWIPSA-N 274.314 4.418 30 40 CIEB Oc1cccc(/C=N/c2cccc3ccccc23)c1O 13118977 HRPKSSCVMZGDAD-WOJGMQOQSA-N 263.296 4.002 30 40 CIEB C=CCN(Cc1nc2ccccc2o1)Cc1cccs1 32739776 MFTGIEOHFKYYLC-UHFFFAOYSA-N 284.384 4.078 30 40 CIEB O/N=C1/CCC[C@@H]1N(Cc1ccccc1)Cc1ccccc1 100977224 FDWMFULSPMATME-HQMFNGAOSA-N 294.398 4.072 30 40 CIEB CCCCCCCCC/C(=N\NC(=N)N)c1ccccc1 104393654 OUNFZJGOXXVYIM-CAPFRKAQSA-N 288.439 4.014 30 40 CIEB CCc1cc(C)cc(CC)c1NC(=O)c1cc(C#N)oc1C 225531676 LSKOCBSLGHZZEW-UHFFFAOYSA-N 296.370 4.145 30 40 CIEB N#C[C@H]1CCC[C@](c2ccccc2)(C2CCCCC2)C1=O 1564923 FFGUANRCTFBQIS-BEFAXECRSA-N 281.399 4.397 30 40 CIEB N#C[C@H]1c2ccccc2C=CN1C(=O)c1ccc(Cl)cc1 1705924 WUOIQKKMXXLJPU-INIZCTEOSA-N 294.741 4.031 30 40 CIEB O=C(/C=C/Nc1cccc(Cl)c1)c1ccccc1 8380846 CRJBCDFBYWCYEN-MDZDMXLPSA-N 257.720 4.149 30 40 CIEB Cc1ccc(C(=O)/C=C/Nc2ccc(F)cc2)cc1C 44844043 FHMYIGFVYOGARE-MDZDMXLPSA-N 269.319 4.251 30 40 CIEB CC[C@H](C)C[C@](C)(O)C#Cc1cc(Cl)ccc1C 95631715 TVHAMCJNXAXAKN-BLLLJJGKSA-N 264.796 4.187 30 40 CIEB CCCC[C@H](CC)[C@H](O)C#Cc1ccc(Cl)cc1 95631812 LYNYQCHAFSHXJS-GOEBONIOSA-N 264.796 4.269 30 40 CIEB C/C=C\[C@](F)(C(F)(F)F)C(F)(F)C(F)(F)F 97949832 SNFOQVRVBOHYAF-BLDZNJJUSA-N 260.099 4.031 30 40 CIEB O=C(/C=C/c1c[nH]c2ccccc12)/C=C(/O)c1ccccc1 103474067 JHVGLDQLTODGLI-OFAWCBBISA-N 289.334 4.349 30 40 CIEB Cc1cc2c(cc1C#N)[C@@H](C)CC(C)(C)N2C(C)C 223775272 SNFUSJSDBLDTQR-ZDUSSCGKSA-N 256.393 4.367 30 40 CIEB CCOc1c(Br)cc(C(C)(C)C)cc1C#N 225292357 JVXTUPCNDGTKMI-UHFFFAOYSA-N 282.181 4.017 30 40 CIEB Oc1ccccc1/N=C\c1ccc(N2CCCCC2)cc1 408961100 RBMDSYQBMDQNIN-RGEXLXHISA-N 280.371 4.133 30 40 CIEB Cc1cc(NC2CCCC2)n2c(nc3ccccc32)c1C#N 351446 KUMFPRAHULFRTQ-UHFFFAOYSA-N 290.370 4.022 30 40 CIEB C=C(C)CCC[C@@H](C)C[C@H](O)C#Cc1ccccc1 3845674 XOUGXHQLWBUWRZ-SJLPKXTDSA-N 256.389 4.172 30 40 CIEB biogenic C=C(C)CCC[C@@H](C)CCN(N)c1ccc(C)cc1 3845688 JJAYGMAXOWZQIB-OAHLLOKOSA-N 260.425 4.448 30 40 CIEB biogenic C/C(=N\Nc1ccc(F)cc1F)c1ccc(C)cc1 5161955 PMDFRETUFLAROW-WOJGMQOQSA-N 260.287 4.109 30 40 CIEB Oc1ccc(Cl)cc1/C=N\c1cnc2ccccc2c1 13099274 APAGHSCPGGGDFZ-NVMNQCDNSA-N 282.730 4.344 30 40 CIEB in-vitro CC(/N=N\c1ccccc1[N+](=O)[O-])=N\Nc1ccccc1 16979423 XVNRFTXLVLVTBB-IQZURPNQSA-N 283.291 4.124 30 40 CIEB COc1ccc(/C=C\C(=O)c2ccc(Cl)s2)cc1 17314023 OCHRGIXGUNICDQ-DAXSKMNVSA-N 278.760 4.306 30 40 CIEB CCCC[C@@H](O)C#Cc1ccc(-c2ccccc2)cc1 95632843 IUSYGMNNSNGDRV-LJQANCHMSA-N 264.368 4.256 30 40 CIEB CCCCCCCCCCCCCCNC(=O)[C@H](C)O 104037791 BPSSWVRROCFULD-INIZCTEOSA-N 285.472 4.185 30 40 CIEB Oc1ccc(N=Cc2ccc3ccccc3c2O)cc1 260840576 GBJYDXBVQIPJFH-UHFFFAOYSA-N 263.296 4.002 30 40 CIEB Clc1ccccc1/N=C\c1ccc(N2CCCC2)o1 408860236 ZBWJJMPWEDFXOK-BOPFTXTBSA-N 274.751 4.284 30 40 CIEB Cc1ccc(C)c(/N=C/c2ccc(N(C)C)cc2)c1 65878 HUDPQCPTZRDIKE-LDADJPATSA-N 252.361 4.120 30 40 CIEB Cc1c2c(nc3ccccc13)CC[C@@](C#N)(c1ccccc1)C2 6507533 BWEWJBSLIVXJJV-OAQYLSRUSA-N 298.389 4.494 30 40 CIEB CC/C(=C\c1ccc(OC)cc1)C(=O)c1ccc(OC)cc1 16889957 RIAYGXNEKYIZQL-FYWRMAATSA-N 296.366 4.380 30 40 CIEB in-vitro CC(C)c1ccc(-c2nnc(/N=C(\O)C(F)(F)F)o2)cc1 20496001 YIFZYIPGVAQGDT-UHFFFAOYSA-N 299.252 4.010 30 40 CIEB CN1/C(=C\C(=O)c2ccccc2)C(C)(C)c2ccccc21 31829196 LRGMPXDTEMECAC-AQTBWJFISA-N 277.367 4.181 30 40 CIEB Cc1csc([C@@H](C#N)C(=O)c2cc3ccccc3s2)n1 41518931 HONXSKSUMKLWPA-NSHDSACASA-N 298.392 4.156 30 40 CIEB CCCCCCCCCCCCCC(=O)N[C@H](C)C(=O)O 100047394 XDOBXTLSTUFRRP-OAHLLOKOSA-N 299.455 4.277 30 40 CIEB C=COCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083809094 CTCXEDRPUHQFSB-UHFFFAOYSA-N 290.125 4.210 30 40 CIEB N#CCCCCOc1ccc(-c2ccccc2)cc1 3339994 BBZTTYPKTVXCHA-UHFFFAOYSA-N 251.329 4.426 30 40 CIEB O=C1/C(=C/c2cccc(Cl)c2)Cc2ccccc21 12368243 KLAHLAAXUZQNTH-MDWZMJQESA-N 254.716 4.162 30 40 CIEB Cc1ccccc1/N=C/C=C1OC(C)(C)C(C)(C)O1 18275922 DXWLEKOGQNOELF-GZTJUZNOSA-N 259.349 4.143 30 40 CIEB CCCC[C@H](CC)[C@@H](O)C#Cc1cc(F)ccc1C 95632396 MLSSEAWMEDJYRQ-YOEHRIQHSA-N 262.368 4.063 30 40 CIEB CC[C@H](C)n1c(C#N)cc(N)c1Sc1ccc(C)cc1 225888271 MJUAXOOBHTWHTL-LBPRGKRZSA-N 285.416 4.373 30 40 CIEB C[C@@H](Nc1ccc(C#N)cn1)c1ccc(C(F)(F)F)cc1 26775018 SWWAIBDBKDVULO-SNVBAGLBSA-N 291.276 4.145 30 40 CIEB CC(C)Oc1ccc(/C=C/C(=O)c2ccc(C#N)cc2)cc1 40139519 XMIBJAAXOOPNNL-KPKJPENVSA-N 291.350 4.242 30 40 CIEB CC(C)(C1CCC(=NO)CC1)C1CCC(=NO)CC1 149450066 UCNBSECKFJYHGV-UHFFFAOYSA-N 266.385 4.053 30 40 CIEB Cc1ccc(/N=C/c2ccc(O)c(Cl)c2)cc1C 409216658 NKABYQAZQJTKNV-RQZCQDPDSA-N 259.736 4.413 30 40 CIEB N#Cc1nc(-c2ccc(F)cc2)oc1NC1CCCCC1 544749 MZCSFDLDDSHYDO-UHFFFAOYSA-N 285.322 4.097 30 40 CIEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccccc1C)C2 1448406 FTNDJLKFMKGSKT-KSSFIOAISA-N 269.388 4.316 30 40 CIEB CCOc1ccccc1/C=N/c1cc(C)ccc1C 2166364 GZZHYLRUHUZMLU-LDADJPATSA-N 253.345 4.453 30 40 CIEB COc1ccc([C@H]2CCC(c3ccccc3)=CC2=O)cc1 3194120 DJFJOUIGSVOMII-GOSISDBHSA-N 278.351 4.225 30 40 CIEB C=CCC1(NC(=O)OC(C)(C)C)CCCCCC1 72481977 DVBQOLJZXPQRRL-UHFFFAOYSA-N 253.386 4.180 30 40 CIEB Cc1ccc(/N=N/C(=N\Nc2ccc(C)cc2)[N+](=O)[O-])cc1 100252602 LKZGISCSQMBLRH-RZBFYTONSA-N 297.318 4.047 30 40 CIEB C/C(=C\C(=O)c1ccc(F)cc1)Nc1cccc(F)c1 108977086 QEUOFNSQFKPLPB-PKNBQFBNSA-N 273.282 4.163 30 40 CIEB C=C(Cl)Cc1ccc(OC(F)(F)F)cc1F 1848444257 KOUWBJSYHNSBHV-UHFFFAOYSA-N 254.610 4.019 30 40 CIEB CC[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 4524395 FNOYILCWRUKGNP-OAHLLOKOSA-N 298.773 4.344 30 40 CIEB O=C(/C=C/c1ccc2ccccc2c1)c1ccc(O)cc1 5128137 TYKWYLJZINXPQV-WUXMJOGZSA-N 274.319 4.442 30 40 CIEB N#Cc1cccnc1Nc1cc(Cl)ccc1Cl 19804367 FOBDOMCVNBTSBL-UHFFFAOYSA-N 264.115 4.004 30 40 CIEB in-vitro C=CCc1ccccc1OCc1nc2c(C)cccc2[nH]1 21658811 QLNCMXFWCOOPQE-UHFFFAOYSA-N 278.355 4.179 30 40 CIEB C=CCc1ccccc1OCc1nc2c(C)cc(C)cc2[nH]1 33327168 WDJPUDKFJSLJJI-UHFFFAOYSA-N 292.382 4.487 30 40 CIEB N#Cc1cn(C(=O)Cc2ccc(Cl)cc2)c2ccccc12 49896395 CUTXBPADYIIMOW-UHFFFAOYSA-N 294.741 4.049 30 40 CIEB O=C(C1=C[C@H]2Cc3ccccc3[C@@H]2C=C1)c1ccccc1 108103902 XNZMADWRKFHRFQ-IEBWSBKVSA-N 272.347 4.322 30 40 CIEB Cc1ccc(/C=C2/Sc3ccccc3C2=O)c(O)c1 186049 QMTDMOPAZUGTOP-OQLLNIDSSA-N 268.337 4.030 30 40 CIEB C=CCNc1nc2c(s1)c(C)c(O)c1ccccc12 1586206 FGAOTPNMMQVQMS-UHFFFAOYSA-N 270.357 4.061 30 40 CIEB C/C(=N\Nc1nc2ccccc2[nH]1)c1cccc(Cl)c1 5070811 FZZKXGTXLHTBQH-VXLYETTFSA-N 284.750 4.052 30 40 CIEB CCOc1cccc(/C=N/c2ccc(F)cc2Cl)c1O 5287518 ABBSDJZMBGKIPO-GIJQJNRQSA-N 293.725 4.334 30 40 CIEB C=CCCC[C@@]1(c2ccccc2)C(=O)Oc2ccccc21 5600955 CRRREAYCSHGOKI-IBGZPJMESA-N 278.351 4.248 30 40 CIEB CC(C)(C)[C@@H]1CCCC[C@@H]1NCc1cccc(C#N)c1 35255162 WEUIHWIUBGYHOW-SJORKVTESA-N 270.420 4.253 30 40 CIEB O=C(O)c1ccc(Cl)c(/N=C\C=C\c2ccccc2)c1 104129545 FSHWJQZOJIGHCI-QLLFMCFOSA-N 285.730 4.454 30 40 CIEB CC1=CC(C)(C)N(C(C)C)c2cc(F)c(C#N)cc21 223792743 OEONQQGWJGTZIY-UHFFFAOYSA-N 258.340 4.108 30 40 CIEB N#Cc1ccc(CSc2cccc3cccnc23)cc1 3257496 NDYBKMVIPLOBMK-UHFFFAOYSA-N 276.364 4.399 30 40 CIEB O=C(/C=C/c1csc(-c2ccccn2)n1)c1cccs1 44012949 FUTUNEZFAUMMIG-VOTSOKGWSA-N 298.392 4.163 30 40 CIEB Cc1c(/C=N/c2ccccc2F)c2ccccc2n1C 59248277 BLCQZQRFBVQFKV-YBFXNURJSA-N 266.319 4.376 30 40 CIEB CC(C)(C)c1ccc(CN(CCC#N)Cc2ccco2)cc1 96970521 HEENZJKPPIQJPJ-UHFFFAOYSA-N 296.414 4.493 30 40 CIEB O=C1C2=C3[C@@H](C(=O)c4ccccc4[C@H]3CC2)c2ccccc21 100151127 RPNFFALBIIRQPH-ACJLOTCBSA-N 286.330 4.037 30 40 CIEB C#Cc1cccc(OCc2c(F)cccc2Cl)c1 199738292 QDSDNZDCFPYRQX-UHFFFAOYSA-N 260.695 4.039 30 40 CIEB C(=N/Cc1ccccc1)\c1cccn1-c1ccccc1 408853888 ZEPDNDDFFPWHAE-XDJHFCHBSA-N 260.340 4.096 30 40 CIEB Oc1cccc(/N=C\c2ccc(N3CCCCC3)cc2)c1 408960486 MEVDWMPONQYPRB-RGEXLXHISA-N 280.371 4.133 30 40 CIEB Oc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1 431805 XZSAEJKNBRDRGY-GIJQJNRQSA-N 265.234 4.162 30 40 CIEB N#Cc1nc(-c2cccc(Cl)c2)oc1NCc1ccco1 541533 IRQFXQTYODZOQZ-UHFFFAOYSA-N 299.717 4.072 30 40 CIEB Cc1ccc(C(C)C)c(OC(=O)c2ccc(C#N)cc2)c1 3330622 NSAHSCPUWYMJIZ-UHFFFAOYSA-N 279.339 4.209 30 40 CIEB C=CCOc1c(Cl)cc(CNCCCCC)cc1OC 6427693 BNIUQRBCNGJPDJ-UHFFFAOYSA-N 297.826 4.193 30 40 CIEB CC(C)(C#N)c1ccc(NC(=O)c2ccccc2Cl)cc1 25438041 GITSYRJUJTVCQZ-UHFFFAOYSA-N 298.773 4.393 30 40 CIEB CCCCCCCCCC(=O)N1CCC[C@H](C)C1 104158140 KNZAUFNLQBWGLK-HNNXBMFYSA-N 253.430 4.386 30 40 CIEB CC[C@@H](C)n1c(C#N)cc(N)c1Sc1ccccc1 225887693 FORFSYDSDPUWOR-LLVKDONJSA-N 271.389 4.064 30 40 CIEB C=C(Br)Cc1ccc(Br)c(C)c1 1848444267 OVQCYYHDXXNOLY-UHFFFAOYSA-N 289.998 4.209 30 40 CIEB CN(CCC#N)c1ccc(/C=N/c2ccccc2Cl)cc1 5586521 QTKTUDKWHVWHRT-DEDYPNTBSA-N 297.789 4.440 30 40 CIEB C[C@@H]1O[C@@H]1c1ccc(-c2ccc([C@@H]3O[C@@H]3C)cc2)cc1 17284368 DKPSJBDPZNTLCN-FRVJLOGJSA-N 266.340 4.273 30 40 CIEB C/C(C[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O)=N\O 43146969 UQZPTNMTFZKAOM-JLNSCUEZSA-N 281.440 4.220 30 40 CIEB CCOc1ccc2nc(N=C(SC)SC)sc2c1 57352492 NZNGDABWBWTORY-UHFFFAOYSA-N 298.458 4.409 30 40 CIEB C#CCOc1ccc(/C=N/c2ccc(C)c(C)c2)cc1OC 113853047 BFIVCVOKBFAXRA-DEDYPNTBSA-N 293.366 4.075 30 40 CIEB Cc1cc(O)ccc1/N=C/c1ccc2ccccc2c1O 409089582 OECIVESORDDCTD-YBFXNURJSA-N 277.323 4.310 30 40 CIEB Cc1ccc(F)cc1/N=C\c1cc(Cl)ccc1O 5287289 SDELAMNYLCFJAN-IUXPMGMMSA-N 263.699 4.244 30 40 CIEB CC(C)(C)c1ccc(C#C[C@@](C)(O)c2ccccc2)cc1 95631497 ABBFVTPEAYJECW-HXUWFJFHSA-N 278.395 4.243 30 40 CIEB COc1ccc(-n2cccc2/C=N/c2ccccc2)cc1 198087672 IBWHJGVUTWOCDU-XMHGGMMESA-N 276.339 4.237 30 40 CIEB COc1ccc(Cl)cc1/N=C/c1cc(C)n(C)c1C 408779725 JAMVUCNBGMNFDG-RQZCQDPDSA-N 276.767 4.055 30 40 CIEB CCc1ccc(Oc2cccc(C(=O)CC#N)c2)cc1 4105341 HKAWIVRXZXGNDO-UHFFFAOYSA-N 265.312 4.138 30 40 CIEB O=C1/C(=C/c2ccsc2)CCCc2ccccc21 13039793 LWEWRTJLDZBDDO-GXDHUFHOSA-N 254.354 4.351 30 40 CIEB COc1ccc(/C=C2/CCOc3ccc(C)cc3C2=O)cc1 17062932 IKYXQDNXJYSFSA-QINSGFPZSA-N 294.350 4.052 30 40 CIEB CC(C)(C)[C@@H]1CCCC[C@H]1NCc1cccc(C#N)c1 35255164 WEUIHWIUBGYHOW-IAGOWNOFSA-N 270.420 4.253 30 40 CIEB C=CC[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 38303893 ZBSDEVWSSMKYKL-QGZVFWFLSA-N 281.355 4.230 30 40 CIEB in-vitro CCCCCCCC(=O)c1ccc(OC)cc1OC 100925760 GDZIURQFWYYLIM-UHFFFAOYSA-N 264.365 4.247 30 40 CIEB CCCCN1c2cc(OC)c(C#N)cc2[C@H](C)CC1(C)C 260722678 RITJVPDHZMKWLP-CYBMUJFWSA-N 286.419 4.459 30 40 CIEB O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc(O)cc1 5128092 PSGRSYNLPDCMGL-XCVCLJGOSA-N 292.256 4.307 30 40 CIEB CSc1ccc(C(=O)/C=C/c2ccccc2F)cc1 19926866 ARJYEFSBFKLVRD-DHZHZOJOSA-N 272.344 4.444 30 40 CIEB CCOc1cccc(N/C(C)=C/C(=O)c2ccc(F)cc2)c1 33743546 DDPHETDOGXHGIN-ACCUITESSA-N 299.345 4.423 30 40 CIEB COc1cccc(/N=C/c2cccc(OC)c2OC(C)C)c1 409014366 PAJFELGARFTIAC-XDHOZWIPSA-N 299.370 4.242 30 40 CIEB Cc1ccc(O)c(/N=C/c2ccc3ccccc3c2O)c1 409060478 WALIAPAFLJMKMV-YBFXNURJSA-N 277.323 4.310 30 40 CIEB O=[N+]([O-])c1cccc(/N=C/c2ccc3ccccc3c2)c1 65085 NFEQPEGVZQETLV-LDADJPATSA-N 276.295 4.499 30 40 CIEB CCCCCCCCC[C@]1(C(=O)OCC)OC1(C)C 2046205 CQWNDBOQVMLKCB-MRXNPFEDSA-N 270.413 4.238 30 40 CIEB CCCCC(=O)Nc1sc2c(c1C#N)CCCCC2 4611664 RMWMVAXXPOCOAS-UHFFFAOYSA-N 276.405 4.017 30 40 CIEB CC(C)/C(Cl)=N/OC(=O)Nc1cccc(Cl)c1 8445347 BJNQHWUEXHGPJR-GDNBJRDFSA-N 275.135 4.097 30 40 CIEB CCc1ccc(/C=N/N=C/c2ccc(CC)cc2)cc1 34565485 MGDOQGUKUGOTBC-IWGRKNQJSA-N 264.372 4.264 30 40 CIEB CC(=O)c1ccc(N/C=C/C(=O)c2ccc(C)c(C)c2)cc1 44843955 OANULPSNAORLSJ-ZHACJKMWSA-N 293.366 4.315 30 40 CIEB C=CCOc1cccc(NC(=O)c2cc3ccccc3o2)c1 52411082 VIONNAYFVGAZDF-UHFFFAOYSA-N 293.322 4.250 30 40 CIEB C=CCCC(=O)NCc1cccc(Oc2ccccc2)c1 58357932 UHVPGBPZWVHJDH-UHFFFAOYSA-N 281.355 4.061 30 40 CIEB CCCN1c2cc(OC)c(C#N)cc2[C@@H](C)CC1(C)C 223776731 LMBQPZAJJWONAX-LBPRGKRZSA-N 272.392 4.069 30 40 CIEB Cl/C(=N\N=C(/Cl)c1ccccc1)c1ccccc1 3086331 SAZIGIAVMOYTBU-JTFWXBGUSA-N 277.154 4.273 30 40 CIEB O=C1CCCCC/C1=C\Nc1ccc(F)c(Cl)c1 409345029 LAKGGZFSDDBMCK-MDZDMXLPSA-N 267.731 4.308 30 40 CIEB CCc1ccc(C(=O)/C=C/Nc2ccc(O)cc2C)cc1 208463 KIKWSZWUALODSO-ZHACJKMWSA-N 281.355 4.072 30 40 CIEB CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OC 6960437 FDOSRYRVSPIVCI-LDADJPATSA-N 269.344 4.153 30 40 CIEB O=C(/C=C\Nc1ccc(Cl)cc1F)c1ccc(F)cc1 100930324 BQVRZIYBZMHQFA-FPLPWBNLSA-N 293.700 4.427 30 40 CIEB C#CCOc1cccc(/C=N\c2ccc(CC)cc2)c1 409214841 UWEVREAWEGHNJL-RGEXLXHISA-N 263.340 4.012 30 40 CIEB Fc1c(F)c(F)c(/N=C/c2ccsc2)c(F)c1F 3233945 TYZGSTBZZOSPBU-IJUHEHPCSA-N 277.217 4.194 30 40 CIEB Cc1ccc(O)c(N/C=C/C(=O)c2ccc(Cl)cc2)c1 4663390 MROUCBUBHVYXQW-CMDGGOBGSA-N 287.746 4.163 30 40 CIEB O=C(/C=C/c1ccc(F)cc1)c1ccccc1Cl 5583564 WFNTUTWLYWEEGK-JXMROGBWSA-N 260.695 4.375 30 40 CIEB CCN(CC)c1ccc(/C=N\c2ccc(F)cc2)cc1 18032579 FLFSBDVEUBSBRL-UYRXBGFRSA-N 270.351 4.423 30 40 CIEB CCCCCCCCCC(=O)c1cc(O)ccc1O 59608666 HHQRZLSBPKUQMU-UHFFFAOYSA-N 264.365 4.421 30 40 CIEB CCC[C@@H]1CCCN(Cc2cc(C#N)ccc2F)CC1 60904245 RLGIDDGQOPBVNU-CQSZACIVSA-N 274.383 4.100 30 40 CIEB CCOc1ccc(/N=C/C=C(\O)c2ccc(OC)cc2)cc1 102766504 FHIXDWUMGBCLNQ-MGYAYREDSA-N 297.354 4.395 30 40 CIEB COc1ccc(/N=C/c2cc(C)n(C)c2C)cc1Cl 408780919 NHMRVENBFYJGCO-RQZCQDPDSA-N 276.767 4.055 30 40 CIEB CC[C@H](C)OCCC(F)(C(F)(F)F)C(F)(F)F 1083806377 PBXODEXKMSHWMQ-LURJTMIESA-N 270.188 4.025 30 40 CIEB CCOc1cccc(/C=N/[C@H](C)c2ccc(F)cc2)c1O 5289840 RDGUVZIXSMZCOT-ZGXHQARYSA-N 287.334 4.110 30 40 CIEB Cc1nc(N)c(C#N)c(-c2cccs2)c1-c1ccccc1 20267620 RNQWUXWHSPDVFH-UHFFFAOYSA-N 291.379 4.239 30 40 CIEB O=C(/C=C/c1cccc2c1OCO2)c1ccc(Cl)s1 40139539 YRXYZJIZYXMRRS-SNAWJCMRSA-N 292.743 4.026 30 40 CIEB CC[C@H](C)n1c(C#N)cc(N)c1Oc1ccc(C)c(C)c1 225885615 BKWDOBOJOMVIGK-ZDUSSCGKSA-N 283.375 4.322 30 40 CIEB Oc1c(C=Nc2ccccc2F)ccc2ccccc12 260840626 OGYWKSGABYELIS-UHFFFAOYSA-N 265.287 4.435 30 40 CIEB O=C1/C(=C\c2ccco2)CCC/C1=C/c1ccco1 175842 KWHQMDCQGGHVJP-MIMPSMLTSA-N 254.285 4.093 30 40 CIEB Cc1c(C#N)c2ccccc2n1Cc1ccc(F)cc1 382341 FCXUWASACBLLKK-UHFFFAOYSA-N 264.303 4.009 30 40 CIEB CCN1/C(=C\C=N\c2ccccc2)Oc2ccc(OC)cc21 3062575 SGHGCSZUPVKCKO-GDAWTGGTSA-N 294.354 4.158 30 40 CIEB C/C(=N/Nc1cc(C)c2cccc(C)c2n1)c1ccccn1 17127144 QZKHOWDOMYTKCT-STZFKDTASA-N 290.370 4.083 30 40 CIEB CC(=C/c1ccccc1)/C=C/C(=O)c1ccc(O)cc1 48333083 BGQVKVAIFSUUCG-QSYVVUFSSA-N 264.324 4.235 30 40 CIEB CC/C(=C\C(=O)c1ccccc1)Nc1ccc(OC)cc1 15938270 LEQJIQPDZIAGQC-FYWRMAATSA-N 281.355 4.284 30 40 CIEB CC(C)(C)c1ccc(/C=N/Nc2ccccc2)cc1 16323060 ANVGXHIPALMMHB-QGOAFFKASA-N 252.361 4.430 30 40 CIEB C=CCCC(=O)c1c(C)cc(Br)cc1C 308808503 PKSJONJSEUIIOU-UHFFFAOYSA-N 267.166 4.215 30 40 CIEB Oc1ccc2ccccc2c1/C=N\c1cccnc1Cl 507632 FBULRFHNUBCFOH-GRSHGNNSSA-N 282.730 4.344 30 40 CIEB C[C@H](/N=C/c1ccccc1)[C@H](C)/N=C/c1ccccc1 4812800 SRGCDOZVOIUMMF-QSEWGLCQSA-N 264.372 4.002 30 40 CIEB C#C[C@H](OC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)/C(C)=C\CC 5447605 YUGWDVYLFSETPE-YPHKJYISSA-N 274.404 4.126 30 40 CIEB Cc1ccccc1COc1ccc(C#N)cc1Cl 42210728 NHKDDLHCZVTXJQ-UHFFFAOYSA-N 257.720 4.099 30 40 CIEB COc1ccc(C)c(N/C=C/C(=O)c2cc(C)ccc2C)c1 44844419 SVDOBBVPHYRPON-MDZDMXLPSA-N 295.382 4.429 30 40 CIEB C#Cc1cccc(OCc2ccc(Br)cc2)c1 199733305 PIPGBPUAWSBPHY-UHFFFAOYSA-N 287.156 4.009 30 40 CIEB O=[N+]([O-])c1ccc(/N=C\c2ccc(Cl)s2)cc1 408966902 OUZUOSYSQQVETQ-QPEQYQDCSA-N 266.709 4.060 30 40 CIEB Cc1ccc(/C=N/c2sc(C)c(C)c2C#N)cc1 77803 UVXUZQPTFJSDGF-RQZCQDPDSA-N 254.358 4.296 30 40 CIEB Cc1[nH]c2ccccc2c1/C=N/c1cccc([N+](=O)[O-])c1C 273966 HRQGJDHLTQWBQV-VCHYOVAHSA-N 293.326 4.444 30 40 CIEB CCCCC[C@@H](O)C#Cc1ccc(OC(C)(C)C)cc1 95631436 ARUNHWMBJWVAGY-MRXNPFEDSA-N 274.404 4.157 30 40 CIEB N#Cc1ccc2ccn(C(=O)c3cccc4ccccc34)c2c1 216961346 IFDBQTFBHIIMHF-UHFFFAOYSA-N 296.329 4.355 30 40 CIEB C=CCOC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 226256126 ISWJJGBAOVFWOD-CSKARUKUSA-N 288.730 4.342 30 40 CIEB C=C(C)CNC(=S)Nc1ccccc1[C@@H](C)CC 6224759 PZPNBXSRYSTPAG-LBPRGKRZSA-N 262.422 4.063 30 40 CIEB N#Cc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 6510698 OLBNBPXGGPVTSU-CMDGGOBGSA-N 267.715 4.108 30 40 CIEB Cc1ccc(/N=C/c2ccc3ncccc3c2)c(F)c1 12599839 NOPYRNYLRYXMNE-RGVLZGJSSA-N 264.303 4.433 30 40 CIEB C[C@H](N[C@@H]1CCC[C@H](C)[C@H]1C)c1ccc(C#N)cc1 19963230 SMHNKTWBEJEXEW-QDEZUTFSSA-N 256.393 4.034 30 40 CIEB CN(C)c1ccc(-n2cccc2/C=N/c2ccccc2)cc1 565860 IOVWLFKTFLEXRN-HMMYKYKNSA-N 289.382 4.294 30 40 CIEB COc1ccc(/C=N/c2cc(C)ccc2C)c(OC)c1 3155251 RXVLAIGFPFOZGO-WOJGMQOQSA-N 269.344 4.071 30 40 CIEB N#Cc1c(Cl)cccc1O[C@@H]1CCOc2ccccc21 4110247 BHTODVVBSSVNCR-MRXNPFEDSA-N 285.730 4.114 30 40 CIEB Cc1ccsc1/C=N/Nc1ncc(Cl)cc1Cl 6052394 QQUJYZVNAWLXNP-GIDUJCDVSA-N 286.187 4.204 30 40 CIEB C[C@H](NCc1cccc(C#N)c1)c1cccc(Cl)c1 11038160 AYYHIIXBUHCHBN-LBPRGKRZSA-N 270.763 4.062 30 40 CIEB COc1ccc(/C=C2\Sc3ccccc3C2=O)cc1 12625221 DTKZJSCQDPXIJP-GDNBJRDFSA-N 268.337 4.025 30 40 CIEB COc1ccccc1N1CCCS/C1=N\c1ccccc1 17859878 PJNXANUJCUVNDS-ZCXUNETKSA-N 298.411 4.326 30 40 CIEB CN(C)/C=N/c1nc(-c2ccc3ccccc3c2)cs1 19903276 WTRMIIJZSVOYJC-GZTJUZNOSA-N 281.384 4.185 30 40 CIEB CCCCc1nc(N2CCCCC2)c(C#N)c2c1CCCC2 20827405 NYEFMWIMPFKBPZ-UHFFFAOYSA-N 297.446 4.165 30 40 CIEB CCOc1ccc(N/C=C2/C(=O)[C@@]3(C)CC[C@H]2C3(C)C)cc1 103212747 GYVCCTGMMFPHGW-FESITFKDSA-N 299.414 4.406 30 40 CIEB Oc1ccc(Cl)cc1/C=N/c1cnc2ccccc2c1 1703799 APAGHSCPGGGDFZ-GIJQJNRQSA-N 282.730 4.344 30 40 CIEB in-vitro C[C@@H](C#N)OC(=O)c1c2ccccc2cc2ccccc12 5743743 LZRLUBWVUJDGHL-LBPRGKRZSA-N 275.307 4.062 30 40 CIEB CCc1ccc(/N=C/c2ccc(O)c(Cl)c2)cc1 8084638 VXSKLCCBEFULSK-LICLKQGHSA-N 259.736 4.359 30 40 CIEB CC(C)c1ccc(/C=N/OCc2ccccc2C#N)cc1 15554964 XWMOGIYNYAHPFZ-UDWIEESQSA-N 278.355 4.232 30 40 CIEB Cc1c(Cl)cccc1NCc1ccccc1C#N 20042721 HBPDGLTWLUJDKB-UHFFFAOYSA-N 256.736 4.132 30 40 CIEB O=C(/C=C/c1cccc(O)c1)c1ccc(F)c(Cl)c1 40140036 WWTWAMGSDWPCLN-QPJJXVBHSA-N 276.694 4.081 30 40 CIEB C=CC[C@@]1(C)C(C)=[N+](C)c2ccc3ccccc3c21 66348386 DYIAXUNTSPZYHY-SFHVURJKSA-N 250.365 4.422 30 40 CIEB N#Cc1ccc(/C=N/Nc2ccc3ccccc3c2)cc1 4985267 IPLMYVVDUGODJJ-DEDYPNTBSA-N 271.323 4.157 30 40 CIEB CCCCCCC(=O)/C=C\c1ccc([N+](C)(C)C)cc1 5052726 NEWYDYDUNYVRGS-QINSGFPZSA-N 274.428 4.436 30 40 CIEB CC(C)(C)c1n[nH]cc1/C=C/C(=O)c1cc2ccccc2o1 40157805 ZVDGDGWOXOZHCU-CMDGGOBGSA-N 294.354 4.350 30 40 CIEB CC[C@H](C)C[C@@](C)(O)C#Cc1cc(Cl)ccc1C 95631717 TVHAMCJNXAXAKN-LRDDRELGSA-N 264.796 4.187 30 40 CIEB C=CCn1c(-c2cc3cc(Cl)ccc3o2)n[nH]c1=S 6761237 DWRAFHXPDJRPTE-UHFFFAOYSA-N 291.763 4.193 30 40 CIEB O=C(/C=C/c1ccccc1)c1cccc(OC(F)F)c1 57815759 DIMXYHZRHNCBEO-MDZDMXLPSA-N 274.266 4.184 30 40 CIEB Cc1nc(Cl)c(-c2ccccc2)c(Cl)c1C#N 344001 ULLSLRUDINNQOL-UHFFFAOYSA-N 263.127 4.236 30 40 CIEB Cc1ccc(/C=N/Nc2nc3ccccc3s2)cc1 5362931 DHILMAKGCMWCSM-MHWRWJLKSA-N 267.357 4.051 30 40 CIEB CC[C@@H](C)Cc1nc(N)c(C#N)c(-c2ccccc2)c1C 18276116 SOUZOUZONPYKJN-GFCCVEGCSA-N 279.387 4.100 30 40 CIEB O=C(/C=C/c1ccco1)c1cc(Cl)ccc1Cl 71976941 JTBOIGYCGBMJHR-GQCTYLIASA-N 267.111 4.483 30 40 CIEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)Nc1ccc(Cl)cn1)C2 100261784 PZHJHTSFTIEPIF-BZNIZROVSA-N 290.794 4.056 30 40 CIEB CN1/C(=C\c2ccc(Cl)cc2)C(=O)c2ccccc21 102442265 TZCMZNXJQIJRCF-GDNBJRDFSA-N 269.731 4.014 30 40 CIEB C=CCSc1ccccc1C(=O)N(C)Cc1ccccc1 219795546 NTRFKFDEXKSJIH-UHFFFAOYSA-N 297.423 4.237 30 40 CIEB C=CCOc1ccc(CNc2ccc(C)cc2C)cc1OC 409114015 PHRBYQDRVVKNSD-UHFFFAOYSA-N 297.398 4.489 30 40 CIEB Cc1ccc2nc(S/C=C/C(=O)c3ccccc3)[nH]c2c1 174147 HIUJBVTVPXLPNE-MDZDMXLPSA-N 294.379 4.360 30 40 CIEB Cc1c(/N=C/c2ccccc2Cl)cccc1[N+](=O)[O-] 587524 UDCQIPBWNBQCNM-CXUHLZMHSA-N 274.707 4.307 30 40 CIEB CCCCCCCCC(=O)Nc1cccc([N+](=O)[O-])c1 2751713 WNEVMUYANBZHBV-UHFFFAOYSA-N 278.352 4.284 30 40 CIEB C=CCCCCCCCCc1n[nH]c(SCC)n1 6784286 AQEFQLYFAKQCRN-UHFFFAOYSA-N 267.442 4.376 30 40 CIEB CC(=O)Nc1ccc(/N=C\C=C\c2ccccc2)cc1 8649649 VBVIHTXIAIZPPN-LKKZCKFMSA-N 264.328 4.061 30 40 CIEB COc1cccc(/N=C/c2ccc3ccccc3c2O)c1 32101537 XLUDBBLEHQOISK-XDHOZWIPSA-N 277.323 4.305 30 40 CIEB CC(C)(C)C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 34975676 VYZXLQHZYHZADF-SNVBAGLBSA-N 270.159 4.216 30 40 CIEB CC(/C=N\Nc1ccc([N+](=O)[O-])cc1)=C\c1ccccc1 83262365 GZNWAJFUIVBCPJ-YMGXUNRSSA-N 281.315 4.096 30 40 CIEB CCCCC[C@@H](O)C#Cc1cc(Cl)cc(Cl)c1 95632912 RTONWAAUPJOJOS-CQSZACIVSA-N 271.187 4.286 30 40 CIEB CCCCCCCCN[C@@H]1CCCCCC/C1=N\O 100927957 AYSITRWIRNLLGZ-FWWJWKNHSA-N 268.445 4.490 30 40 CIEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)C2 100943670 XLLSPLQKTNGEIA-GYQKHKLMSA-N 287.363 4.209 30 40 CIEB N#Cc1ccc(Cc2ccccc2)n1Cc1ccc(F)cc1 226028004 CLYLZTSPWKQHQK-UHFFFAOYSA-N 290.341 4.138 30 40 CIEB Oc1ccc(-n2cccc2/C=N/c2ccc(F)cc2)cc1 409013450 ABKOVBKOHFCYCJ-XDHOZWIPSA-N 280.302 4.073 30 40 CIEB CCOc1ccccc1N/C=C/C(=O)c1ccc(CC)cc1 409097451 NUAUSTHQRVSKNM-BUHFOSPRSA-N 295.382 4.456 30 40 CIEB CCOc1ccc(Cl)cc1/C=N/c1ccc(O)cc1 409116975 MSIKXBZIIHBTQS-LICLKQGHSA-N 275.735 4.195 30 40 CIEB CC1(C)CC(=O)C2=C(C1)C[C@]1(C)CC(C)(C)C[C@]2(O)C1 344523 IJDSUFQMYUARCQ-MSOLQXFVSA-N 276.420 4.023 30 40 CIEB CC[C@@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 35055402 MLCXPCQIBIIOJM-QGZVFWFLSA-N 284.790 4.453 30 40 CIEB CCCCCCCC#Cc1cc(OC)ccc1OC 101734824 NKNNBUYTNUXIMX-UHFFFAOYSA-N 260.377 4.416 30 40 CIEB COc1ccc(-n2cccc2/C=N/c2ccc(F)cc2)cc1 140867395 IHWPUXCFVGEDMZ-DEDYPNTBSA-N 294.329 4.376 30 40 CIEB Cc1cccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 64997 DIFRWJDSFBJUPW-CXUHLZMHSA-N 274.707 4.307 30 40 CIEB N#C[C@@H](c1ccccc1)[C@@H](C#N)c1ccc(Cl)cc1 1597910 SFLZVFHERLBKMO-HOTGVXAUSA-N 266.731 4.255 30 40 CIEB C/C(=N/N=C(/C)c1ccc(F)cc1)c1ccc(F)cc1 5502947 BTCAYYIXEROQOH-YZLQMOBTSA-N 272.298 4.198 30 40 CIEB CC1(C)[C@H]2CC[C@H]3C[C@@H](CCC#N)CC[C@H]3[C@]21C#N 5742365 CTCLHILTZWHHQS-DEQQHWRFSA-N 256.393 4.282 30 40 CIEB C=C(C)[C@H]1CC=C(C)/C(=N\Nc2ccccc2[N+](=O)[O-])C1 12403563 BLJLQRKYWHELPR-VLFBTDHHSA-N 285.347 4.295 30 40 CIEB CO[C@](C)(/C(C)=N/O)c1ccc(-c2ccccc2)cc1 17285250 TXUGTWCPYXEPCI-CLEQQJOVSA-N 269.344 4.065 30 40 CIEB Fc1c(F)c(Br)c(F)c(C(F)(F)F)c1F 86862913 NHSSJMAUKULEMJ-UHFFFAOYSA-N 296.967 4.024 30 40 CIEB in-vitro CCCCCCCCCOc1cccc([C@@H](O)CNC)c1 102591671 OHSNBXNZPWXWQO-SFHVURJKSA-N 293.451 4.069 30 40 CIEB Fc1ccc(/N=C/c2ccc(N3CCCC3)c(F)c2)cc1 409076006 WHUGYIILTSACCN-UDWIEESQSA-N 286.325 4.316 30 40 CIEB C#CCOc1cccc(/C=N\c2ccc(C)cc2C)c1 409218429 VFDLNQNGOMRRPO-UYRXBGFRSA-N 263.340 4.066 30 40 CIEB C=C(C)C(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 575242940 NIMJDKNPVXBHBP-UHFFFAOYSA-N 282.183 4.483 30 40 CIEB CC(C)c1ccc(Nc2nnc(SCC#N)s2)cc1 3272140 UGJWZZIZFQXMOP-UHFFFAOYSA-N 290.417 4.021 30 40 CIEB N#Cc1c(O)nc2c(oc3ccccc32)c1-c1ccccc1 4625203 OUTPEZLYOXXCSE-UHFFFAOYSA-N 286.290 4.225 30 40 CIEB C=CCc1cc(C=O)cc(OCC)c1OCc1ccccc1 5651999 AZUPZKMEGWFQPX-UHFFFAOYSA-N 296.366 4.205 30 40 CIEB C=C(C)CSc1nc(-c2ccccc2)nc(C)c1C(C)=O 27789635 ZGLITZMUWQUQQB-UHFFFAOYSA-N 298.411 4.323 30 40 CIEB N#Cc1ccc(/N=C/c2cccn2-c2ccccc2)cc1 59679573 CHMXWVVEVQVIKN-XSFVSMFZSA-N 271.323 4.100 30 40 CIEB C=C(C)c1cccc(C(C)(C)NC(=O)NC(C)(C)C)c1 3323344 QKDONSSWGLALTK-UHFFFAOYSA-N 274.408 4.053 30 40 CIEB Cc1ccc(/C=C2/CCC[C@H](CN3CCCCC3)C2=O)cc1 31861424 NLQRFVDNRTUTBS-GDLUXTLDSA-N 297.442 4.234 30 40 CIEB CC1(C)[C@H]2CC[C@@]1(C)[C@](C#N)(Nc1ccccc1)C2 101492480 CTISDAYLFQVGTJ-XKQJLSEDSA-N 254.377 4.207 30 40 CIEB OCCCCCCCCC#CCCCCCCCCO 261828216 HQLKAXZWNFIYPU-UHFFFAOYSA-N 282.468 4.436 30 40 CIEB COc1cccc(/N=C/c2ccc(N3CCCC3)c(F)c2)c1 409075653 SRJANCDDFGNPKG-DEDYPNTBSA-N 298.361 4.185 30 40 CIEB C#CCOc1cccc(/C=N\c2cccc(C)c2C)c1 409214202 WUXZGWZXSJBZMK-UYRXBGFRSA-N 263.340 4.066 30 40 CIEB C=CCN1c2ccccc2Oc2nc3ccccc3nc21 480322 JGASDHWAWCGHGF-UHFFFAOYSA-N 275.311 4.060 30 40 CIEB N#C[C@H](c1ccccc1)[C@@H](C#N)c1ccc(Cl)cc1 1597909 SFLZVFHERLBKMO-CVEARBPZSA-N 266.731 4.255 30 40 CIEB CCC[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1 3447277 CNYKFOZKLGLLEX-QGZVFWFLSA-N 278.355 4.081 30 40 CIEB CCCCCCCCCCCCNC(=O)C1CC1 8453311 YQQLPMLYZJRBQD-UHFFFAOYSA-N 253.430 4.434 30 40 CIEB Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(N)n2)cc1C 19832461 OYOXECZOPBHPFH-UHFFFAOYSA-N 299.377 4.486 30 40 CIEB CCOc1ccccc1C/N=C/c1cc(Cl)ccc1O 44835564 KQAIWPTWCXWIAJ-WOJGMQOQSA-N 289.762 4.063 30 40 CIEB O/C(=C\C=N\c1ccc(O)cc1)c1ccc(Cl)cc1 100033124 VKTFPGSEKYFGIM-NQZUYODNSA-N 273.719 4.347 30 40 CIEB OC(=C\Nc1ccccc1)/C=C/C=Nc1ccccc1 255003897 FRTAERDOEYOBNW-CVGJXXPHSA-N 264.328 4.457 30 40 CIEB C=CC[C@](C)(NCc1ccccc1)c1cccs1 209321 VHBCXXFJEUKQMG-INIZCTEOSA-N 257.402 4.329 30 40 CIEB CCCCCCc1nc2ccccc2n1CCC#N 4575316 OCEKYUJEMXEEBJ-UHFFFAOYSA-N 255.365 4.073 30 40 CIEB N#Cc1ccc(OCc2cccc3ccccc23)cc1 6238007 VDGWGBARIXRRJS-UHFFFAOYSA-N 259.308 4.290 30 40 CIEB O=C1/C(=C\c2cccc(F)c2)CCc2ccccc21 214679 OFAAPWXDZVKVFC-UVTDQMKNSA-N 252.288 4.038 30 40 CIEB CCCCCCCCO[C@H](CN)C(Cl)(Cl)Cl 1727196 WSHHKWFALBAFRQ-SNVBAGLBSA-N 290.662 4.061 30 40 CIEB CCOc1cccc(/C=N/c2cccc(C)c2C)c1O 5273523 AQDGBSMAPIVVEI-WOJGMQOQSA-N 269.344 4.158 30 40 CIEB CC(=O)/C(=C\Nc1ccc(C)cc1)Cc1ccccc1 13404385 CQVUEPQLBYMIKX-LGMDPLHJSA-N 265.356 4.123 30 40 CIEB OC1(C#Cc2cc(Cl)cc(Cl)c2)CCCCC1 95632894 JHSBTEOCNLACLX-UHFFFAOYSA-N 269.171 4.040 30 40 CIEB CCOc1cccc(/C=N/c2c(C)cc(C)cc2C)c1O 44835954 PLISTLHWDNVNGB-YBFXNURJSA-N 283.371 4.467 30 40 CIEB C=CCOc1cccc(CNc2cccc(C)c2C)c1 409110896 ASFFYBSSAVDRLF-UHFFFAOYSA-N 267.372 4.480 30 40 CIEB Oc1cccc(/C=N/c2cccc(C(F)(F)F)c2)c1 280760 LVBSDWKYZVGTGC-GIJQJNRQSA-N 265.234 4.162 30 40 CIEB N#Cc1cccc(/N=C/c2cccc3ccccc23)c1 561332 JTIBZADZBDJADU-DEDYPNTBSA-N 256.308 4.462 30 40 CIEB c1ccc(CO/N=C(\c2ccc(C3CC3)nc2)C2CC2)cc1 4051309 FUWDPNFEBVVMRD-VZCXRCSSSA-N 292.382 4.290 30 40 CIEB N#Cc1ccc(/C=C/c2ccc3ccccc3n2)cc1 5127934 KPMYDPSCVOFJEY-PKNBQFBNSA-N 256.308 4.277 30 40 CIEB N#Cc1ccccc1OCCOc1ccc2ccccc2c1 11950727 TYJOWXYUWRNPNZ-UHFFFAOYSA-N 289.334 4.169 30 40 CIEB CCOc1ccc(C(=O)/C=C/Nc2cc(F)ccc2C)cc1 51318885 HXZDSGXVQKERTQ-ZHACJKMWSA-N 299.345 4.341 30 40 CIEB CC(=O)/C=C/[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]21C 100647119 SNUHZNCSBAQVJV-AZKZYPNSSA-N 278.436 4.125 30 40 CIEB CC[C@@H](C)Oc1ccccc1/C=N/Nc1ccccc1 408602466 OGNOMIJUYPORDJ-QFGUUYLXSA-N 268.360 4.310 30 40 CIEB COc1ccc(/N=C\c2cccn2-c2ccccc2)cc1 408850511 BDWNMELXSSCVQE-RGEXLXHISA-N 276.339 4.237 30 40 CIEB C#CCOc1cccc(/C=N\c2ccc(C)c(Cl)c2)c1 409215258 WEVYUHFNNITYFU-UNOMPAQXSA-N 283.758 4.411 30 40 CIEB C/C(=C\C(=O)c1ccc(F)cc1)Nc1ccc(F)cc1 409356965 OYDNUMBSOSXDEI-ZHACJKMWSA-N 273.282 4.163 30 40 CIEB C[C@](C#N)(Cc1ccccc1)Nc1ccc(Cl)cc1 88163 MGNVJQYQDMPUDK-MRXNPFEDSA-N 270.763 4.277 30 40 CIEB C=CCOc1ccc(NC(=O)Cc2ccc(C)c(C)c2)cc1 10009821 BZNWHYFJPUEQLS-UHFFFAOYSA-N 295.382 4.049 30 40 CIEB Oc1ccc2ccccc2c1/C=N\Cc1ccccc1 13406282 CTMYZNZIVQEMHN-UYRXBGFRSA-N 261.324 4.165 30 40 CIEB N#CCCCOc1ccc(C(F)(F)F)cc1Cl 95733757 NNAVKINXNZTWKU-UHFFFAOYSA-N 263.646 4.041 30 40 CIEB O/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 103864233 MDXXISNYTHOMHT-RGVLZGJSSA-N 295.313 4.366 30 40 CIEB CCOc1cc2c(cc1/C=N\c1ccc(C)c(C)c1)OCO2 409104930 GSVBWBUTEPEXHU-GRSHGNNSSA-N 297.354 4.181 30 40 CIEB O=C1SC(c2ccccc2)=N/C1=C/c1ccc(Cl)cc1 104620 CBKTYDYUGNEVDL-GXDHUFHOSA-N 299.782 4.401 30 40 CIEB CC1(C)[C@@H]2C=C/C(=N\Nc3ccccc3)[C@@]1(C)CC2 4266978 BRWUQZIWYMVOHR-UYFJIRQKSA-N 254.377 4.467 30 40 CIEB C=C[C@H](/C=C\c1ccc(OC)cc1)c1ccc(O)cc1 14439526 MTYGOTBQCBXZQD-IJVDHGTGSA-N 266.340 4.384 30 40 CIEB biogenic,in-vitro C/C(=N\Nc1ccncc1)c1ccc2ccccc2c1 28467744 FIJFOWVYBHSJSE-CPNJWEJPSA-N 261.328 4.071 30 40 CIEB CCCCCC[C@@](C)(O)C#Cc1cccc(C)c1C 95632044 RFDOKUBBUPYHOK-GOSISDBHSA-N 258.405 4.376 30 40 CIEB CCc1ccc(C(=O)/C=C/Nc2cc(C)ccc2OC)cc1 409094955 AMMGZROMHITYGB-VAWYXSNFSA-N 295.382 4.375 30 40 CIEB C[C@H](C#N)Sc1nc(-c2cccs2)nc2ccccc12 4601646 RYCOVIUSIJEIMR-SNVBAGLBSA-N 297.408 4.362 30 40 CIEB C[C@@H](Oc1ccccc1)c1nc2ccccc2n1CCC#N 12547196 CHQRAWGNCBPGJI-CQSZACIVSA-N 291.354 4.090 30 40 CIEB N#CCCCCCOc1c(Cl)cccc1Cl 95738572 PRJQXXOYLHQPBW-UHFFFAOYSA-N 258.148 4.456 30 40 CIEB N#Cc1ccccc1N/C=C/c1c[nH]c2ccccc12 101462495 IUPNUBZMEYDTDL-MDZDMXLPSA-N 259.312 4.122 30 40 CIEB CC(=O)Nc1ccc(/N=C/c2ccc(Cl)cc2)cc1 246078 PTUCVABPHFBAPY-LICLKQGHSA-N 272.735 4.049 30 40 CIEB COc1ccnc(Oc2cc(Cl)cc(Cl)c2)c1C#N 1398111 LDLPRBUGIKYJPN-UHFFFAOYSA-N 295.125 4.061 30 40 CIEB CC[C@@H](C)C[C@](C)(O)C#Cc1ccc(OC(C)(C)C)cc1 95631419 OVKALZKUKCCLCX-DNVCBOLYSA-N 288.431 4.403 30 40 CIEB CCCCCC[C@@](C)(O)C#Cc1ccc(F)cc1C 95632322 PZTYTKKTCPLXOL-QGZVFWFLSA-N 262.368 4.207 30 40 CIEB C[C@@H](c1ccc(Cl)c(Cl)c1)[S@](=O)CCCC#N 97097875 JZGCHNLFQNIHHB-XYZCENFISA-N 290.215 4.107 30 40 CIEB N#Cc1c(Nc2ccccc2[N+](=O)[O-])sc2c1CCCC2 4183653 BSOCREKRSSBXNK-UHFFFAOYSA-N 299.355 4.150 30 40 CIEB Cc1ccc(-c2csc(N/N=C\c3ccc(C)o3)n2)cc1 5814835 NEERXTBQCZRKNP-MFOYZWKCSA-N 297.383 4.466 30 40 CIEB CCCN(CC#Cc1cccc(Cl)c1C)CCC 95631601 JWAPRCLWFXOUJK-UHFFFAOYSA-N 263.812 4.122 30 40 CIEB C=CCc1ccc(OCc2nc3cc(C)ccc3[nH]2)cc1 352086 PKTDBHHNLZEBEW-UHFFFAOYSA-N 278.355 4.179 30 40 CIEB CC(C)(C)CC(C)(C)c1ccc(OC[C@H]2CO2)cc1 4200485 ZYUNNPAOYLRRFE-HNNXBMFYSA-N 262.393 4.178 30 40 CIEB Cc1cc(N/C=C\C(=O)c2ccc(Cl)cc2Cl)on1 6922302 GZAOULHKDVMWHE-PLNGDYQASA-N 297.141 4.098 30 40 CIEB Cc1ccc(C)c(/N=C/c2cc3cc(C)ccc3[nH]c2=O)c1 17195248 LJELRQYBINMICV-RGVLZGJSSA-N 290.366 4.204 30 40 CIEB O=C(/C=C\c1cccs1)c1cc(Cl)ccc1O 17327676 NZCPOWKQXJUSKP-XQRVVYSFSA-N 264.733 4.003 30 40 CIEB CCCCC[C@H](O)C#Cc1ccc(CCCC)cc1 95633272 MKYXKKUZPQYLHL-SFHVURJKSA-N 258.405 4.322 30 40 CIEB C#CCOC(=O)c1ccc2ccc3cccc4ccc1c2c34 216825246 JHQPWOMJRIOYON-UHFFFAOYSA-N 284.314 4.374 30 40 CIEB CC[C@H](C)OCCC(F)(F)C(F)(F)C(F)(F)F 1565659628 JBQPDMOABVCEOX-LURJTMIESA-N 270.188 4.025 30 40 CIEB Clc1ccc(/N=C/c2cccnc2)cc1Cl 301530 UTXDBAKXQMWBSO-LZYBPNLTSA-N 251.116 4.139 30 40 CIEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(F)cc1)C2 472908 ORPNPOLCSMQLNJ-SJCJKPOMSA-N 273.351 4.147 30 40 CIEB CCCCCCCCCCCC1=NC(C)(C)CN1CCO 1768302 YOVZSVQYSGKERM-UHFFFAOYSA-N 296.499 4.392 30 40 CIEB Cc1ccc(Nc2oc(-c3ccc(F)cc3)nc2C#N)cc1 5659233 BFTFKDSICTXTJO-UHFFFAOYSA-N 293.301 4.404 30 40 CIEB Cc1ccc(-n2c(S[C@@H](C)C#N)nc3ccccc32)cc1 6032892 YMWOPCKYSCUVFM-ZDUSSCGKSA-N 293.395 4.338 30 40 CIEB O=C(/C=C/c1cccc(F)c1)c1ccc(Cl)cc1 6888832 UJCRXYAAJJMQFJ-RUDMXATFSA-N 260.695 4.375 30 40 CIEB CC1(C)OC(=O)Nc2ccc(-c3ccc(F)c(C#N)c3)cc21 13491409 QYXWQJJMCRIUKE-UHFFFAOYSA-N 296.301 4.162 30 40 CIEB C[C@@H]1CCCc2c(C#N)c(N)nc(-c3ccc(Cl)cc3)c21 31894724 IMBYBCKNZJANRE-SNVBAGLBSA-N 297.789 4.296 30 40 CIEB O=[N+]([O-])c1cc(/C=N/c2ccc(F)cc2F)ccc1Cl 409072159 IWRABNUKPRDJGD-REZTVBANSA-N 296.660 4.277 30 40 CIEB COc1ccc(/C=N/c2cc(Cl)ccc2C)c(OC)c1 409202397 QHXATPQJMCUNGZ-VCHYOVAHSA-N 289.762 4.416 30 40 CIEB O=C(/C=C/c1cccs1)c1ccc(Br)cc1 4409455 JHQWQTOIPPOTAQ-BQYQJAHWSA-N 293.185 4.407 30 40 CIEB COc1ccc(/C=N/c2ccccc2N2CCCC2)cc1 12557675 RMEPNAHAWSSVRE-XMHGGMMESA-N 280.371 4.046 30 40 CIEB C[C@@H]1CCC/C(=N\Nc2nc3ccccc3s2)C1 13146710 JJGOYBMRUHKVKA-ILJRITOVSA-N 259.378 4.274 30 40 CIEB O=[N+]([O-])c1ccc(/N=C/C=C/c2ccccc2)cc1 16978945 RXBUYUMXXZKCCT-JAFAMXRVSA-N 252.273 4.011 30 40 CIEB Cc1cccc(C(=O)O/N=C2/C[C@@H]3CC[C@]2(C)C3(C)C)c1 100505517 KXEOEKZAZBDEPB-VECOEXMFSA-N 285.387 4.354 30 40 CIEB COc1cccc(/C=N/c2cccc(F)c2)c1OC(C)C 409011673 ODPRWZMHBRVCQW-YBFXNURJSA-N 287.334 4.372 30 40 CIEB CCOc1ccc(Cl)cc1/C=N/c1ccc(C#N)cc1 409091091 TXURTPAYKRTVTQ-YBFXNURJSA-N 284.746 4.361 30 40 CIEB O=C(/C=C/c1ccccc1)c1cc(F)c(F)c(F)c1 575359152 VKIYYHCAZYXCDH-VOTSOKGWSA-N 262.230 4.000 30 40 CIEB C(#CCN1CCCC1)CC(c1ccccc1)c1ccccc1 1760544 LIJXCAFRPKFKCP-UHFFFAOYSA-N 289.422 4.308 30 40 CIEB COc1ccc(/C=C/C(=O)c2cc3ccccc3o2)cc1O 6897534 NJNLLMJXBPSZDY-SOFGYWHQSA-N 294.306 4.043 30 40 CIEB C=C(C)C1(Cl)[C@@H]2CC[C@@H]1c1c(OC)ccc(OC)c12 101049748 LOOCZHGLXBNUMM-GHMZBOCLSA-N 278.779 4.232 30 40 CIEB CCn1c(C#N)cc(N)c1Oc1cc(C(C)C)ccc1C 225886643 ZJQMWVDNEAUKAA-UHFFFAOYSA-N 283.375 4.186 30 40 CIEB C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@@H]3C(=C)C[C@]21C 256375402 DKRPZVPROVDZCP-QKKHWQHCSA-N 296.454 4.480 30 40 CIEB N#C[C@@H](Sc1ccccn1)c1ccc(Cl)cc1 1401873 KZPLSHJNCOXKFV-GFCCVEGCSA-N 260.749 4.092 30 40 CIEB CCCCCCC[n+]1ccc(C(=O)c2ccccc2)cc1 1712173 QRQVQDJPJRXXRM-UHFFFAOYSA-N 282.407 4.176 30 40 CIEB N#Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 11953235 JSHRDWQMBPIYQN-UHFFFAOYSA-N 278.138 4.444 30 40 CIEB N#CCOc1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1 17222049 IDORDBUWCGDCTR-KMKOMSMNSA-N 297.741 4.138 30 40 CIEB C=CCOc1ccc(CNc2cccc(C)c2)cc1 21027118 MVZFSGKAXPVJTD-UHFFFAOYSA-N 253.345 4.172 30 40 CIEB O/N=C1\CCCCCC[C@@H]1Sc1nc2ccccc2o1 5605054 QXWDDYYIBGJXDV-IQGJIOQQSA-N 290.388 4.473 30 40 CIEB CCn1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)n1 6637273 JQYNBILFMYADNJ-GQCTYLIASA-N 295.169 4.106 30 40 CIEB COc1cccc(/C=C/C(=O)c2nc3ccccc3s2)c1 12767413 LTAYLTKKPQWJEJ-MDZDMXLPSA-N 295.363 4.201 30 40 CIEB CCCCCCC/C=C/C=C/C(=O)NCC(C)C 36294914 BBRMJCAPNGJKEM-AQASXUMVSA-N 251.414 4.232 30 40 CIEB biogenic,in-vivo CCCCCCCCCC(=O)c1ccc(OCCO)cc1 59608608 ALCPJVXYDUMHAW-UHFFFAOYSA-N 292.419 4.381 30 40 CIEB Clc1cccc(C=NN=Cc2cccc(Cl)c2)c1 254524114 XMOVWXSCYLINBJ-UHFFFAOYSA-N 277.154 4.446 30 40 CIEB FC(F)(F)C(F)(F)C(F)(F)CCOc1ccccc1 1565662264 CECKCGOZOINDFQ-UHFFFAOYSA-N 290.178 4.288 30 40 CIEB COc1ccc2c(c1)CC/C(=C/c1cccc(C)c1)C2=O 214469 QSVOTOGCECNNKK-WJDWOHSUSA-N 278.351 4.216 30 40 CIEB N#Cc1ccc(N[C@@H](Cc2ccccc2)c2ccccc2)nc1 12864985 VUGCSAXPJPWEST-IBGZPJMESA-N 299.377 4.349 30 40 CIEB N#C[C@@]1(c2nc3ccccc3[nH]2)C[C@@H]1c1ccccc1Cl 51330264 UBBDDVLLRXIWEE-PXAZEXFGSA-N 293.757 4.165 30 40 CIEB O=C(/C=C/c1ccccc1)c1ccccc1OC(F)F 57826277 WTQUQXNOUZQGKY-ZHACJKMWSA-N 274.266 4.184 30 40 CIEB CCCCCCCCCCCCC[C@@H](O)C(=O)O 62241066 NKASEPJANRVKDD-CQSZACIVSA-N 258.402 4.133 30 40 CIEB in-vitro CCCCCCCCOc1nsc(SC)c1C#N 98007354 XCXIFXPBHYHOOT-UHFFFAOYSA-N 284.450 4.476 30 40 CIEB C=CC[C@](C)(NCc1ccccc1)c1ccccc1 1187548 RYFWJRLOQFKDHD-SFHVURJKSA-N 251.373 4.268 30 40 CIEB O=C(/C=C/c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 6510697 ZENQALZSZUJXKH-CMDGGOBGSA-N 287.702 4.144 30 40 CIEB CCOC(=O)c1ccc(N/N=C(\C)c2ccc(C)cc2)cc1 13943901 OXKXWBZWNPYKDH-XMHGGMMESA-N 296.370 4.008 30 40 CIEB N#CCCSc1ccccc1/N=C/c1ccccc1O 17063033 KGSGHAXKDKKCTB-LDADJPATSA-N 282.368 4.149 30 40 CIEB CN/C(=N\c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 49772136 MHJYVJCYXZIEKA-UHFFFAOYSA-N 296.267 4.142 30 40 CIEB Cc1cc(O)c(/N=C/c2ccc(Cl)cc2)cc1C 70461127 QOGBIGACJSMBNZ-RQZCQDPDSA-N 259.736 4.413 30 40 CIEB CCCCCC[C@@](C)(O)C#Cc1cc(F)ccc1C 95632415 UAMKHBHDZQMJSJ-QGZVFWFLSA-N 262.368 4.207 30 40 CIEB COc1ccccc1/N=C\c1ccc2ccccc2c1O 100248360 PCFCGSXZRQVKDQ-UNOMPAQXSA-N 277.323 4.305 30 40 CIEB CCCN1c2cc(F)c(C#N)cc2[C@@H](C)CC1(C)C 223776238 LGCAMIHHQGRWPN-NSHDSACASA-N 260.356 4.200 30 40 CIEB N#Cc1ccc(COC(=O)c2ccc3ccccc3c2)cc1 3560412 SGZUGLSPVKVOJH-UHFFFAOYSA-N 287.318 4.068 30 40 CIEB C[C@H]1CCC/C(=N\Nc2ccc3ccccc3n2)C1 8627661 QTRQJBWCSNJCAU-LBBLGXEFSA-N 253.349 4.213 30 40 CIEB COc1cc(C)c(C(=O)/C=C/c2ccccc2)cc1C 96887948 FECCSYXCEVTBDA-MDZDMXLPSA-N 266.340 4.208 30 40 CIEB CCN(CC)c1ccc(/C=N/c2oc(C)c(C)c2C#N)cc1 408918703 OAXRZXKZYJLHSN-UDWIEESQSA-N 295.386 4.365 30 40 CIEB C#CCOc1ccc(Cl)cc1CNc1ccc(C)cc1 409118814 QGJMPMLNPQVZNT-UHFFFAOYSA-N 285.774 4.273 30 40 CIEB CC(C)Nc1oc(-c2cccc3ccccc23)nc1C#N 540237 RGSLYFVYRJABDN-UHFFFAOYSA-N 277.327 4.187 30 40 CIEB Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(O)cc1 1093619 QPFDVULKOBQSET-CPNJWEJPSA-N 280.371 4.051 30 40 CIEB CC(C)(C)c1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 3208003 IRLMLCRYUJQYCT-UHFFFAOYSA-N 290.362 4.447 30 40 CIEB N#Cc1cccc(NC(=O)c2cc3c(F)cccc3s2)c1 7979273 SUUREDVKRYJOCS-UHFFFAOYSA-N 296.326 4.164 30 40 CIEB C=CCCCOc1ccc(Br)c(C)c1 157093796 JOZWMNSPBNULOY-UHFFFAOYSA-N 255.155 4.103 30 40 CIEB CCCCCCCCOc1ccc(C(=O)O)c(F)c1 2512359 AWPDESKDPDUKRX-UHFFFAOYSA-N 268.328 4.263 30 40 CIEB Cc1ccc(C)c(/C=C/C(=O)c2ccc(F)cc2)c1 7007452 KGZUXZZMVADLEP-JXMROGBWSA-N 254.304 4.339 30 40 CIEB COc1ccc([C@@H](NCc2cccc(C#N)c2)C(C)C)cc1 22817906 XZVPYMMTQZRLJR-IBGZPJMESA-N 294.398 4.054 30 40 CIEB C[C@@]12CCCC[C@@H]1C1(C=CC(=O)C=C1)C(c1ccccc1)=N2 974218 HNGDLSQOOANPDO-PKOBYXMFSA-N 291.394 4.120 30 40 CIEB COc1ccc(C(=O)/C=C/C=C/c2ccccc2)cc1 1651051 PGQAVLKEDKBFTN-NXZHAISVSA-N 264.324 4.148 30 40 CIEB CC[C@H](C)c1ccccc1NC(=O)C1(C#N)CCCC1 14014575 UFOJUQMISOORFI-ZDUSSCGKSA-N 270.376 4.223 30 40 CIEB C=CCSc1ccccc1NC(=O)NC1CCCC1 31023686 BVGMWMIMWUZCHX-UHFFFAOYSA-N 276.405 4.029 30 40 CIEB C(=N\Nc1nccs1)\c1cccc(Oc2ccccc2)c1 31854297 VMLBRCDHSFEQHN-PDGQHHTCSA-N 295.367 4.381 30 40 CIEB CCCCCCCCNC(=O)c1nc2ccccc2s1 105626700 NGLCOQUPTRRCKQ-UHFFFAOYSA-N 290.432 4.387 30 40 CIEB C=CCOc1ccc(NC(=O)C2(C)CC2)c2ccccc12 225930888 AWCOILRPCHIONM-UHFFFAOYSA-N 281.355 4.143 30 40 CIEB CC(C)c1ccc(/C=C2/C(=O)ON=C2c2ccccc2)cc1 67645 RCIWLILKQZBGDQ-SFQUDFHCSA-N 291.350 4.155 30 40 CIEB Cc1ccc(C(=O)O/N=C2\C[C@@H]3CC[C@@]2(C)C3(C)C)cc1 358131 NXAITCVPAUWQJG-POJSKFFVSA-N 285.387 4.354 30 40 CIEB C=C(C)Cn1c([C@H](C)N2CCCCC2)nc2ccccc21 5210123 UVLYFPGHWZZQPA-HNNXBMFYSA-N 283.419 4.159 30 40 CIEB CCOc1cccc(/C=N/c2ccc(Cl)cc2)c1O 5286841 QABZVVVMVNDEHU-LICLKQGHSA-N 275.735 4.195 30 40 CIEB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CCCc2ccccc21 5838088 XIKJYPDRSJEWLC-RVDMUPIBSA-N 293.322 4.197 30 40 CIEB CSc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1 8715910 MYJKYTWPNMQNMM-AWNIVKPZSA-N 297.423 4.371 30 40 CIEB CCCCCCCCCCCC[N+]1([O-])CCOCC1 95751632 FHORWCGUALMRKR-UHFFFAOYSA-N 271.445 4.252 30 40 CIEB CC[C@H](C)n1c(C#N)cc(N)c1Oc1cccc(C)c1 225879876 SSYVNVPDQLLURS-LBPRGKRZSA-N 269.348 4.014 30 40 CIEB C=CCNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 408912697 QYOHALBESGKMIP-DTQAZKPQSA-N 297.785 4.183 30 40 CIEB CCC(=O)/C=C1\Sc2ccc3ccccc3c2N1C 225609 WPMPCTHHPOVFAZ-GDNBJRDFSA-N 269.369 4.202 30 40 CIEB CCCCC[C@@H](CN(C)C)C(=O)/C=C/c1ccc(C)cc1 1575873 LITJQCLCLXFLBN-JKGDOXCYSA-N 287.447 4.335 30 40 CIEB C=C(C)[C@@H]1CC[C@]2(C)OC(=O)N(Cc3ccccc3)[C@]12C 4491403 XOTQEYORQKZSOE-RYQLBKOJSA-N 285.387 4.142 30 40 CIEB Cc1cccc(/C=N/Nc2ncnc3sc(C)c(C)c23)c1 6507632 SOKDLEQZQPDOON-UFWORHAWSA-N 296.399 4.063 30 40 CIEB C#CCn1c([C@@H](C)Oc2cccc(C)c2)nc2ccccc21 9184750 HYDSRECVZUPCRN-OAHLLOKOSA-N 290.366 4.118 30 40 CIEB C#CC[C@H](NC(=O)c1ccc2ccccc2c1)c1ccccc1 89261544 SKODTPGDAVQQMP-FQEVSTJZSA-N 299.373 4.334 30 40 CIEB Oc1ccc(Cl)cc1/N=C/c1cccc(Cl)c1 97958251 UTVUDWJOISVXCB-LZYBPNLTSA-N 266.127 4.450 30 40 CIEB COC(=O)c1ccc(/C=N/c2cc(Cl)ccc2C)cc1 98087197 VCWHFBUKZLXCFU-VCHYOVAHSA-N 287.746 4.186 30 40 CIEB Cc1ccc(COc2ccc(Cl)cc2/C=N/O)cc1 103847714 TYIIGAQTIYFEJV-RQZCQDPDSA-N 275.735 4.036 30 40 CIEB Cc1sc(/N=C/c2c[nH]c3ccccc23)c(C#N)c1C 63713 QWUZKLGMYXAWHL-DJKKODMXSA-N 279.368 4.469 30 40 CIEB Oc1ccc(/C=N/c2ccc(OC(F)(F)F)cc2)cc1 65756 LTQJJAXSLNUEDJ-GIJQJNRQSA-N 281.233 4.041 30 40 CIEB CN(C)c1ccc(/C=N/c2nc3ccccc3s2)cc1 354943 AULWKVVOKJUUPB-GZTJUZNOSA-N 281.384 4.113 30 40 CIEB C=CC[C@H]1CC(Cc2ccccc2)=C[C@@H](CC=C)N1 4141402 PFOAIMHDKWUDIQ-MSOLQXFVSA-N 253.389 4.038 30 40 CIEB CC1C/C(=C\c2ccco2)C(=O)/C(=C/c2ccco2)C1 17173010 KKRSTVAIVYMNBE-IFQMDVHZSA-N 268.312 4.339 30 40 CIEB CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H]2CC=CCC2)cc1 66396734 VJIGWAYQHRYWRW-NVXWUHKLSA-N 296.414 4.021 30 40 CIEB C=CCc1c(O)ccc2cc(Br)ccc12 1705710 XOIYHTNVSSOODG-UHFFFAOYSA-N 263.134 4.036 30 40 CIEB C[C@@H](CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 2735234 ZRFXQCIFVUZVCB-LBPRGKRZSA-N 298.773 4.344 30 40 CIEB CCC[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1 3447275 CNYKFOZKLGLLEX-KRWDZBQOSA-N 278.355 4.081 30 40 CIEB Cc1nc2c(c3c1[nH]c1ccccc13)/C(=N/O)CC(C)(C)C2 12444734 SVGKIVDCRYSXIV-KGENOOAVSA-N 293.370 4.175 30 40 CIEB biogenic CC[C@H](C)C[C@](C)(O)C#Cc1ccc(OC(C)(C)C)cc1 95631420 OVKALZKUKCCLCX-HNAYVOBHSA-N 288.431 4.403 30 40 CIEB C=C(Br)CCc1ccc(Cl)c(F)c1 952958821 JMFGNSFXISNUEU-UHFFFAOYSA-N 263.537 4.320 30 40 CIEB CC1=C/C(=N\Nc2ccccc2[N+](=O)[O-])CC(C)(C)C1 5415518 NQSCBKIUPMTLEE-FOWTUZBSSA-N 273.336 4.129 30 40 CIEB CC(=C/c1ccccc1)/C=N/Nc1nc2ccccc2[nH]1 6015798 MJFYHRZGUJYCJC-APKIYPECSA-N 276.343 4.064 30 40 CIEB Cc1ccc(/N=C/c2ccc([N+](=O)[O-])s2)cc1C 282412 AOEAXDTXVGWJNS-RIYZIHGNSA-N 260.318 4.024 30 40 CIEB C/C(=N\OC(=O)C1CC1)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 4084799 CRIHZXSTKMBSDC-AKLVUOHOSA-N 285.387 4.243 30 40 CIEB Cc1cc(Br)ccc1-n1c(C)cc(C#N)c1C 32142525 KRYPVSBZSUXWEH-UHFFFAOYSA-N 289.176 4.037 30 40 CIEB C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC(=O)O 85975560 CDFOVPVYHVWCGP-WOSRLPQWSA-N 250.382 4.260 30 40 CIEB biogenic,in-vitro O=C1/C(=N\Nc2ccccc2Cl)Sc2ccccc21 102658517 UBVXLBNZUOZXST-SAPNQHFASA-N 288.759 4.054 30 40 CIEB ON=C(Cl)c1c2ccccc2cc2ccccc12 256080889 HNCKUONLZVGZKH-UHFFFAOYSA-N 255.704 4.368 30 40 CIEB C/C(=N/Nc1nc2ccccc2n1C)c1cc(C)ccc1C 408667556 VRQUYHGCHPLYHN-ZHZULCJRSA-N 292.386 4.026 30 40 CIEB CCOc1ccc(/N=C/c2ccc(O)c(Cl)c2)cc1 6962489 BBCISQLJRIIJAT-LICLKQGHSA-N 275.735 4.195 30 40 CIEB N#Cc1c(OCc2ccccc2F)ccc2ccccc12 11830349 VQZUQOLTCGAWTF-UHFFFAOYSA-N 277.298 4.430 30 40 CIEB O=C(/C=C/Nc1ccccn1)c1ccc2ccccc2c1 16545733 CWCSAMPBXSJPBI-ZRDIBKRKSA-N 274.323 4.043 30 40 CIEB O=C(/C(Br)=C\c1ccccc1)c1ccccc1 16999120 KRLKFHWRCHJJGA-SDNWHVSQSA-N 287.156 4.305 30 40 CIEB N#Cc1c(-c2ccccc2F)cc(-c2ccccc2)nc1N 33457663 ADQFYAYEGQUACH-UHFFFAOYSA-N 289.313 4.009 30 40 CIEB CCCCCCCNCc1cccc(OCCOCC)c1 100027415 KIONXNYQZRLWCO-UHFFFAOYSA-N 293.451 4.162 30 40 CIEB CCc1cc(C#N)c(NC(=O)CC2=CCCCC2)s1 106629264 JVEUFMDKFZEPAE-UHFFFAOYSA-N 274.389 4.011 30 40 CIEB CC(Nc1cccc(Cl)c1)=C1C(=O)c2ccccc2C1=O 993566 NKGZWUQQUQGASS-UHFFFAOYSA-N 297.741 4.105 30 40 CIEB N#C[C@H]1c2ccccc2C=CN1C(=O)c1ccccc1Cl 3119090 JFNZPEKSUNDYKY-INIZCTEOSA-N 294.741 4.031 30 40 CIEB O=C1SC(c2ccccc2)=N/C1=C\c1ccc(Cl)cc1 4709551 CBKTYDYUGNEVDL-UVTDQMKNSA-N 299.782 4.401 30 40 CIEB CCc1cc(-c2ccc(C#N)o2)cc(C)c1Br 45889509 AQBHGVAHZHLPER-UHFFFAOYSA-N 290.160 4.452 30 40 CIEB N#Cc1cccc(NCc2ccc(F)c(C(F)(F)F)c2)c1 95438168 PQDYYYOVGBVTBD-UHFFFAOYSA-N 294.251 4.328 30 40 CIEB C=CCCCCCN(C)C(=O)c1ccc(Cl)c(OC)c1 535396082 ZCSHLOAJGDHLLA-UHFFFAOYSA-N 295.810 4.167 30 40 CIEB Cc1ccsc1/C=N/c1cccc([N+](=O)[O-])c1C 273967 FYLVQCAQNNGPPT-RIYZIHGNSA-N 260.318 4.024 30 40 CIEB C[C@H](CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 2735235 ZRFXQCIFVUZVCB-GFCCVEGCSA-N 298.773 4.344 30 40 CIEB COc1ccc(C(=O)/C=C/c2ccc(C)c(C)c2)cc1 19927430 NQIMVNNXKKVSLA-IZZDOVSWSA-N 266.340 4.208 30 40 CIEB CC[C@H](C)C[C@@](C)(O)C#Cc1ccc(C(C)C)cc1 95633080 JTXMVLCAWXQIBV-YJBOKZPZSA-N 258.405 4.349 30 40 CIEB CCCN(CC#Cc1ccc(Cl)cc1C)CCC 95633446 PHXYGJCUNVPLJE-UHFFFAOYSA-N 263.812 4.122 30 40 CIEB O=C1C2=C3[C@@H](CC2)c2ccccc2C(=O)[C@H]3c2ccccc21 100151121 RPNFFALBIIRQPH-UGSOOPFHSA-N 286.330 4.037 30 40 CIEB COc1cccc(/C=N/Nc2ccc3ccccc3c2)c1 4064707 FWDDMRNMBHVZOA-CPNJWEJPSA-N 276.339 4.294 30 40 CIEB COc1ccc(C(=O)C[C@@H](C#N)c2ccccc2Cl)cc1 6411154 SJCFORCEMXXOCU-ZDUSSCGKSA-N 299.757 4.229 30 40 CIEB C=CCOc1ccccc1/C=N/c1ccc(OCC)cc1 6962610 SLSUGPHCTLOECH-XMHGGMMESA-N 281.355 4.401 30 40 CIEB CC/C(=C\C(=O)c1ccc(OC)cc1)Nc1ccccc1 59489066 PCLJIYHOHLDELT-FYWRMAATSA-N 281.355 4.284 30 40 CIEB Fc1ccc(/C=N\c2ccc(Br)cc2)cc1 100227673 KGJDVCSCEDMUTG-SXGWCWSVSA-N 278.124 4.339 30 40 CIEB CCC1=C/C(=N\O)C(C)=C[C@]1(C)C(Cl)(Cl)Cl 104126847 AIYLMMFSRJXYHZ-CNOAHFENSA-N 282.598 4.489 30 40 CIEB N#Cc1cc(N)ccc1NC(c1ccccc1)c1ccccc1 225498844 HZWHVJUHSUWJOZ-UHFFFAOYSA-N 299.377 4.342 30 40 CIEB CCCCCCCCCc1ccc(O)c(C=NO)c1 255004074 MJUVQSGLWOGIOB-UHFFFAOYSA-N 263.381 4.493 30 40 CIEB O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CCCc2ccccc21 1651018 XIKJYPDRSJEWLC-PTNGSMBKSA-N 293.322 4.197 30 40 CIEB COc1ccc(/C=C2\C(=O)[C@@H](C(C)C)CC[C@@H]2C)cc1 17206697 QSTJFIAMUAVWAO-XBZYTORLSA-N 272.388 4.350 30 40 CIEB biogenic O/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 103864940 FBHJAWZRDDLGLS-CAOOACKPSA-N 296.153 4.381 30 40 CIEB C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 113955587 MNQUBXSXEYLDAF-HNNXBMFYSA-N 295.382 4.051 30 40 CIEB CC[C@H](C)Oc1ccccc1/C=N/Nc1ccccc1 408602467 OGNOMIJUYPORDJ-RAOBZKRQSA-N 268.360 4.310 30 40 CIEB Cc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1Cl 356525 LEGBHXGPDYDBEO-UHFFFAOYSA-N 263.768 4.333 30 40 CIEB CCCCCCCCCC(=O)N1CCC[C@@H](C)C1 1733533 KNZAUFNLQBWGLK-OAHLLOKOSA-N 253.430 4.386 30 40 CIEB C=CCCCCCCCCC(=O)N(CC#N)CC(C)C 5022171 UJONLOOQIGXTQT-UHFFFAOYSA-N 278.440 4.301 30 40 CIEB Cc1ccc(C(=O)/C=C/Nc2cc(Cl)ccc2O)cc1 13810159 BANNIFZCGGIYLM-CMDGGOBGSA-N 287.746 4.163 30 40 CIEB C=C(Br)Cc1ccc(Br)c(F)c1 71790028 VHLRPTSBYPJTNT-UHFFFAOYSA-N 293.961 4.039 30 40 CIEB Cc1ccc(O)c(/N=C/c2ccc(Br)cc2)c1 102924019 LXBPPUIQUCCKHL-CXUHLZMHSA-N 290.160 4.214 30 40 CIEB N#Cc1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1 216944862 KJQDULQOOOOADH-UHFFFAOYSA-N 292.121 4.084 30 40 CIEB N#Cc1c(Cl)ncc(Cl)c1-c1ccc(F)cc1 256050860 GUBRRGATAWBHTI-UHFFFAOYSA-N 267.090 4.066 30 40 CIEB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C#Cc1ccccc1 3846273 WDOZQXWWPJRUPB-RYQLBKOJSA-N 284.399 4.042 30 40 CIEB C=CCOc1ccccc1CNc1ccc(C)c(C)c1 3888692 YLOCTCWBOBPITL-UHFFFAOYSA-N 267.372 4.480 30 40 CIEB O=C(/C=C/c1cccnc1)c1ccc2ccccc2c1 7586904 YEIBVAVFCWVTQA-JXMROGBWSA-N 259.308 4.131 30 40 CIEB Oc1ccc(Cl)cc1/C=N/c1cc(F)cc(F)c1 17701109 CPCHTVSVCSEXCT-REZTVBANSA-N 267.662 4.074 30 40 CIEB C[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 40103399 AITBQELQUXTAAJ-NSHDSACASA-N 299.761 4.094 30 40 CIEB CN(C)c1ccc(/C=N/N=C2\C[C@H]3CC[C@]2(C)C3(C)C)cc1 68677151 VARLEWUJAPSYLP-BQJYPJKKSA-N 297.446 4.374 30 40 CIEB CC[C@@H](C)C[C@@](C)(O)C#Cc1ccc(C(C)C)cc1 95633079 JTXMVLCAWXQIBV-QAPCUYQASA-N 258.405 4.349 30 40 CIEB C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@]21C 256375399 DKRPZVPROVDZCP-NJCPFYPZSA-N 296.454 4.480 30 40 CIEB C/C(Cc1ccccc1)=N\Nc1nc2ccccc2s1 408737066 HDKATFZWBSIGNV-LDADJPATSA-N 281.384 4.327 30 40 CIEB C[C@@H]1CCC/C(=C/Nc2ccccc2C(F)(F)F)C1=O 409177802 HNHZBZGOJKCEMX-QLWWJYNRSA-N 283.293 4.390 30 40 CIEB Cc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2C)s1 5547718 OISAYVZTTKQHTB-RIYZIHGNSA-N 260.318 4.024 30 40 CIEB COc1ccc(Cl)cc1/N=C/c1cc(C)c(O)c(C)c1 6202676 MEEJAPYDMBOWGZ-GIJQJNRQSA-N 289.762 4.422 30 40 CIEB O=C1Nc2ccccc2/C1=N\c1cccc(Cl)c1Cl 13902723 AUBZCTXOLGPERG-UHFFFAOYSA-N 291.137 4.066 30 40 CIEB in-vivo C=CCN(C(=O)Nc1ccccc1F)c1ccccc1 16138302 ADSVYJYVAWBSHN-UHFFFAOYSA-N 270.307 4.050 30 40 CIEB CC[C@H]1CCCCN1c1ccc(C#N)c(C(F)(F)F)c1 35783963 FROZJVLDDDEYSX-LBPRGKRZSA-N 282.309 4.346 30 40 CIEB Cc1ccc(C)c(C(=O)/C=C/Nc2ccc(N(C)C)cc2)c1 44844410 GVAIXAJBSQNLRG-VAWYXSNFSA-N 294.398 4.178 30 40 CIEB C#Cc1cccc(NC(=O)N[C@@](C)(CC)c2ccccc2)c1 72271542 SZQGHHWEVVUMKY-IBGZPJMESA-N 292.382 4.115 30 40 CIEB CC1=N/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)C1 100358495 XZPMEIAJEHVXQJ-LDADJPATSA-N 291.350 4.040 30 40 CIEB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/Nc1nncc2ccccc12 103311581 KSPOILLHKDRKEB-RGRJMJLGSA-N 292.386 4.020 30 40 CIEB Fc1ccccc1/C=N\C12CC3CC(CC(C3)C1)C2 104211545 ONMZAGWXFQFZDW-ODLFYWEKSA-N 257.352 4.213 30 40 CIEB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(F)c(Cl)c1 2623025 MNWZNMFTWQSDDF-UHFFFAOYSA-N 292.653 4.051 30 40 CIEB CCOc1ccc(N/C=C2/C(=O)[C@]3(C)CC[C@H]2C3(C)C)cc1 4235382 GYVCCTGMMFPHGW-XUNQVJEASA-N 299.414 4.406 30 40 CIEB C=CCN(CC=C)C(=O)/C=C/c1ccc(Cl)cc1Cl 5898780 LIHNQJFDEFBPER-SOFGYWHQSA-N 296.197 4.207 30 40 CIEB Cc1sc(NC(=O)N2CCCCCCC2)c(C#N)c1C 32796775 CSAMBRBGABNAEW-UHFFFAOYSA-N 291.420 4.035 30 40 CIEB OC(/C=C/C=Nc1ccccc1)=C/Nc1ccccc1 255003898 FRTAERDOEYOBNW-IMRWWYHUSA-N 264.328 4.457 30 40 CIEB CCCCCCCCOc1ccc(/C=N\O)cc1OC 408539401 HDHNSXAANDOUDP-LGMDPLHJSA-N 279.380 4.243 30 40 CIEB Cc1ccccc1[C@H](C#N)[C@@H](CC#N)c1ccccc1 133255 GFTNSHSIKCZDTP-ROUUACIJSA-N 260.340 4.300 30 40 CIEB C/C(=N\O)c1cc(C(C)(C)C)cc2c1CCC2(C)C 12601492 GXCYRUOTOFUODM-WOJGMQOQSA-N 259.393 4.406 30 40 CIEB CC(=N/N(C)c1ccccc1)/C(C)=N\N(C)c1ccccc1 17427518 GAZUJKJJBRIPLV-IKBKFCNISA-N 294.402 4.011 30 40 CIEB CCCCCCCNCCOc1ccc(CC)cc1 100027199 MHEVKTDWROHVBC-UHFFFAOYSA-N 263.425 4.188 30 40 CIEB C=CCOc1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1 408573320 BBVZYMIBDNWHIY-VAWYXSNFSA-N 293.366 4.212 30 40 CIEB C=CCc1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1OC 408702870 JDLLRJNMBRUNTQ-UHFFFAOYSA-N 295.382 4.293 30 40 CIEB C=C(C)C(=O)Oc1ccc(C(C)(C)c2ccccc2)cc1 2571924 PDLZOMRBHUBXSF-UHFFFAOYSA-N 280.367 4.494 30 40 CIEB N#Cc1ccc(/C=C/C(=O)c2ccc(F)c(Cl)c2)cc1 40140037 XPPWSELWKIFHNJ-VMPITWQZSA-N 285.705 4.247 30 40 CIEB COc1cccc2cc(/C=C3/Cc4ccccc4C3=O)oc12 83976042 HJDVJCNBRGCUGR-KAMYIIQDSA-N 290.318 4.264 30 40 CIEB CCCCCC[C@@](C)(O)C#Cc1ccc(C)c(C)c1 95633622 RRQOBWPCQIUHMG-GOSISDBHSA-N 258.405 4.376 30 40 CIEB Cc1ccc(OCc2ccccc2C#N)c2c1[C@@H](C)CC2=O 11052859 QBSNVLUCORRFPX-ZDUSSCGKSA-N 291.350 4.136 30 40 CIEB CCCCCNc1nc(CCC)c2c(c1C#N)CCCC2 20827462 YNDKTGJDUZNGJB-UHFFFAOYSA-N 285.435 4.387 30 40 CIEB CC1(C)OB(/C=C\CCCc2ccccc2)OC1(C)C 199493355 HLUHQMVNJDKHRO-UVTDQMKNSA-N 272.197 4.197 30 40 CIEB CN(C)c1ccc(/C=N/c2ccccc2Cl)cc1 2161717 PIYOJDWSJRFVDM-GZTJUZNOSA-N 258.752 4.157 30 40 CIEB C=CCOc1cccc(NC(=O)CCc2ccc(C)cc2)c1 10338064 OHWVHOBSFRZLQF-UHFFFAOYSA-N 295.382 4.131 30 40 CIEB O=C1C(O)=C/C(=N/c2cccc(Cl)c2)c2ccccc21 12377194 WNSFGEAHVIIIHA-JXAWBTAJSA-N 283.714 4.099 30 40 CIEB COc1ccc(Br)cc1/C=N/c1ccccc1 17378482 CQORXPCCZZAIND-MHWRWJLKSA-N 290.160 4.208 30 40 CIEB Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc([N+](=O)[O-])cc1 95548109 RRRIUZTYKDNUQH-VCHYOVAHSA-N 298.342 4.483 30 40 CIEB CCCC[C@H](CC)[C@H](O)C#Cc1ccc(Cl)c(F)c1 95633365 REIYEFWLIIXDHJ-XJKSGUPXSA-N 282.786 4.408 30 40 CIEB C(=N/c1c(-c2ccco2)nc2ccccn12)\c1ccccc1 103546962 GEIJDHPVNLBFEL-CPNJWEJPSA-N 287.322 4.345 30 40 CIEB CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1/N=C\c1ccccc1O 104076365 JSVJFQPVXUXWLF-ARAMRWTFSA-N 257.377 4.026 30 40 CIEB CCCCCCCCCCCC[S@@+](C)CC(=O)O 104263015 ZFYRWMIDEHBHFD-SFHVURJKSA-O 275.478 4.240 30 40 CIEB O/N=C(\Cc1ccccc1)c1cccc2ccccc12 4701194 DBUDZCRZOKBVSL-VHEBQXMUSA-N 261.324 4.261 30 40 CIEB Oc1cccc(/C=N/Nc2ccnc3cc(Cl)ccc23)c1 4871801 LRNSKUAJVCOMEN-VXLYETTFSA-N 297.745 4.040 30 40 CIEB CCCC[C@@H](CC)[C@@H](O)C#Cc1cc(F)c(F)c(F)c1 95632736 XSRMFDDISMCBNM-DOMZBBRYSA-N 284.321 4.033 30 40 CIEB Cc1coc(C)c1C(=O)/C=C/c1ccc2ncccc2c1 5799107 PSRRUWCUIPTIPY-SOFGYWHQSA-N 277.323 4.341 30 40 CIEB O/N=C(\c1ccccc1)c1ccc(Cl)c(Cl)c1 6474369 AKCGBHRHHLEHNI-DTQAZKPQSA-N 266.127 4.220 30 40 CIEB O=C1/C(=C/c2ccc(OC(F)F)cc2)Cc2ccccc21 12596439 MGHFGSGYLQNPKD-UKTHLTGXSA-N 286.277 4.110 30 40 CIEB [O-]/[N+](=C\c1ccc(Cl)cc1)Cc1ccc(Cl)cc1 12957587 BXPLLAZOXRETHR-MFOYZWKCSA-N 280.154 4.123 30 40 CIEB N#Cc1cccc(F)c1-c1cc(Br)ccc1F 16159400 MMTSYLQBJKCUQH-UHFFFAOYSA-N 294.098 4.266 30 40 CIEB CC(C)c1ccc(-c2cc(C3CC3)nc(N)c2C#N)cc1 20064618 PKTRIBBVLYZEMC-UHFFFAOYSA-N 277.371 4.203 30 40 CIEB CCCCCCCCCC1=NN(C2=NCCCC2)C(=O)C1 104140645 FFIOOXFUZAMYEZ-UHFFFAOYSA-N 291.439 4.298 30 40 CIEB Cc1ccsc1C(=O)C(F)(F)C(F)(F)C(F)(F)F 575358605 INNDJCNRUQXAKK-UHFFFAOYSA-N 294.191 4.072 30 40 CIEB COc1ccc(/N=C/c2cc(Cl)ccc2O)cc1Cl 13126906 XCBMFDQKEPUTJQ-CAOOACKPSA-N 296.153 4.458 30 40 CIEB C=C(Cl)CCc1ccc(F)cc1Br 710681330 XNGYIZXFYXYHIE-UHFFFAOYSA-N 263.537 4.273 30 40 CIEB CC1(C)OB(/C=C(/c2ccccc2)C(F)(F)F)OC1(C)C 1535640731 XTGVEUTYKFTABB-BENRWUELSA-N 298.113 4.264 30 40 CIEB Cc1cccc(C#N)c1/N=C1\CCCN1Cc1ccccc1 243409 HLOAXYLTACMODV-DYTRJAOYSA-N 289.382 4.193 30 40 CIEB CCOc1ccc(/C=N/c2cccc(Cl)c2)cc1 272645 SRCCMTXANLSVHU-GZTJUZNOSA-N 259.736 4.489 30 40 CIEB Cc1cc(C)cc(C(=O)Nc2sc(C)c(C)c2C#N)c1 588413 GHBWZORTIIDLJQ-UHFFFAOYSA-N 284.384 4.106 30 40 CIEB O=C(/C=C/c1cccc(Cl)c1Cl)c1cccnc1 5128269 XPZDLNMMVUUWSQ-VOTSOKGWSA-N 278.138 4.285 30 40 CIEB COc1ccc(Cl)cc1/C=C\C=N\c1ccccc1O 16920269 IUJOKMCEJJMNGO-SSAWSCCNSA-N 287.746 4.470 30 40 CIEB Cc1cccc(-c2nc(C#N)c(N3C[C@@H](C)C[C@@H](C)C3)o2)c1 18178377 XIEYBVCRXGZMNX-OKILXGFUSA-N 295.386 4.004 30 40 CIEB CCOc1ccc(C(=O)/C=C/c2ccc(C)s2)cc1 57457486 GMUHYJDWMSRSPS-ZHACJKMWSA-N 272.369 4.351 30 40 CIEB C/C(=N/OC(=O)c1ccc(Br)cc1)C(C)(C)C 286642 ILYLXYBNKQUJBF-DHDCSXOGSA-N 298.180 4.028 30 40 CIEB CSc1ccc(/C=[N+](/[O-])c2ccc(Cl)cc2)cc1 1798828 FXEHNXNTJGLXPJ-MHWRWJLKSA-N 277.776 4.323 30 40 CIEB CCCC/C=C/[C@](F)(OC(F)(F)F)C(F)(F)F 2530912 HCIFORKBCMJRGT-XPPMVYLVSA-N 268.172 4.497 30 40 CIEB O=NN1[C@@H](c2ccccc2)CC(=NO)C[C@@H]1c1ccccc1 5850789 VNAFUGYZYRNVJV-IAGOWNOFSA-N 295.342 4.076 30 40 CIEB CCCC[C@H](CC)[C@H](O)C#Cc1ccc(F)c(Cl)c1 95632857 ISMLBAIBOKHSIH-XJKSGUPXSA-N 282.786 4.408 30 40 CIEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/Nc1ccccc1)C=C2O 6257739 SGPKIYNXUCMLNP-UATXZWOKSA-N 270.376 4.353 30 40 CIEB Cc1oc(/N=C/c2ccc(OC(C)C)cc2O)c(C#N)c1C 408590539 PNCPWELVZFQAQM-DJKKODMXSA-N 298.342 4.012 30 40 CIEB CCOc1ccccc1/C=N/c1ccc(C)cc1C 297161 YTMHKXDWUAYKRX-LDADJPATSA-N 253.345 4.453 30 40 CIEB O=C1/C(=C/c2ccc(F)cc2)CSc2ccccc21 481219 GZSVOTCYCWLNRL-FMIVXFBMSA-N 270.328 4.198 30 40 CIEB CCCCCCCCNC(=O)[C@H]1C[C@H]1c1ccccc1 2165994 JXEGSAMPGXCVQA-IRXDYDNUSA-N 273.420 4.267 30 40 CIEB C=C(C)CN(CC)Cc1nc(-c2ccc(C)s2)oc1C 12761562 UTVNRXVMINNXPW-UHFFFAOYSA-N 290.432 4.418 30 40 CIEB C=CCSc1nc2c(c(-c3cccs3)n1)CCCC2 16138476 LRBFYOFYEVVIJB-UHFFFAOYSA-N 288.441 4.362 30 40 CIEB CC(C)c1ccccc1NCc1ccccc1C#N 20044498 CNVOVBAPFNRTDP-UHFFFAOYSA-N 250.345 4.294 30 40 CIEB Cc1ccc(C/N=C\c2ccc3ccccc3c2O)cc1 32101674 JXJKTFXTPSOUMM-MOSHPQCFSA-N 275.351 4.473 30 40 CIEB N#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 38080991 ABZKNAJGKPWMOU-UHFFFAOYSA-N 292.653 4.051 30 40 CIEB CCOc1ccc(/N=C/C=C\c2ccccc2)c(O)c1 100344886 NZQXFWBMKVCOLP-CVVJEMIOSA-N 267.328 4.207 30 40 CIEB N#Cc1cc(-c2ccc(Cl)cc2C(F)(F)F)ccn1 117575445 MYTXZWKGRKCQMP-UHFFFAOYSA-N 282.652 4.292 30 40 CIEB Cc1ccc(C#N)c(SCc2ccccc2Cl)n1 1476095 UUBAUCREBMEYLO-UHFFFAOYSA-N 274.776 4.207 30 40 CIEB C/C(=N\c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 5003681 RPIXQORDBRROFG-FOWTUZBSSA-N 254.289 4.044 30 40 CIEB CC(C)(C)C(=O)Sc1nc(-c2ccccc2)ccc1C#N 6563285 UHHOPNQJLHBWBH-UHFFFAOYSA-N 296.395 4.285 30 40 CIEB OC1=NC(=N/c2ccccc2)/C(=C/c2ccc(O)cc2)S1 18169538 ONXRJTTYHNJAHR-UVTDQMKNSA-N 296.351 4.124 30 40 CIEB CCc1ccc(/C=N\Nc2nc3c(s2)CCCC3)cc1 31854643 XIXGGZXSJWTXFG-BOPFTXTBSA-N 285.416 4.030 30 40 CIEB C[C@@H]1CCC/C(=C/Nc2ccc(F)c(Cl)c2)C1=O 409179514 RTXDYAZPMKYPDG-URLRMUCDSA-N 267.731 4.164 30 40 CIEB CCOc1ccc(/N=C/c2cc(Cl)ccc2OC)cc1 437786 PTDZQYINSPWWBV-WOJGMQOQSA-N 289.762 4.498 30 40 CIEB C#CCOc1ccc(/C=N/c2ccccc2C)cc1OCC 6960574 LZLZPWIFWWFGRQ-XSFVSMFZSA-N 293.366 4.156 30 40 CIEB Nc1cccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)c1 40447822 XUPSCJGHYOBPDY-RMKNXTFCSA-N 291.272 4.184 30 40 CIEB CCCC[C@@H](CC)[C@H](O)C#Cc1cc(C)ccc1C 95633554 OFHCMNFMIYMWBD-SJLPKXTDSA-N 258.405 4.232 30 40 CIEB C=C1[C@H]2CC[C@@H](C2)[C@]1(C)CC/C=C(\C)COC(C)=O 103594415 RCFGRZLLBGMERD-WIFJEQQVSA-N 262.393 4.268 30 40 CIEB endogenous,in-man O=C(/C=C/c1ccccc1)c1ccc(OC(F)(F)F)cc1 149183012 YEQMQWATAHSRLX-IZZDOVSWSA-N 292.256 4.481 30 40 CIEB COc1cccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1 46405 LRNOSKUESYJAIU-CXUHLZMHSA-N 290.706 4.007 30 40 CIEB COc1cccc(/C=N/c2cccc(C(C)C)c2)c1O 5293650 CJQTZUOJIVJKKT-WOJGMQOQSA-N 269.344 4.275 30 40 CIEB Brc1ccc(NN=C2CCCCC2)cc1 6863348 BIWLMPOYJZOVQD-UHFFFAOYSA-N 267.170 4.181 30 40 CIEB Cc1cc(C)c(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)c(C)c1 32198691 COYZCLWLBGOADT-FPLPWBNLSA-N 295.338 4.416 30 40 CIEB O=C1/C(=C\c2csc(C3CC3)n2)CSc2ccccc21 96291575 ABMZYLLYPKCNCZ-XFFZJAGNSA-N 299.420 4.393 30 40 CIEB C[C@@H](c1ccc(Cl)cc1)[S@](=O)CCC(C)(C)C#N 123446671 XEIHXOAGSMCDOD-VOJFVSQTSA-N 283.824 4.090 30 40 CIEB CC[C@@H](C)n1c(C#N)cc(N)c1Cc1ccc(Cl)cc1 225852767 SVLAVVYQYQDEFH-LLVKDONJSA-N 287.794 4.157 30 40 CIEB N#CC1(c2ccc3cccc(Br)c3c2)CC1 261219824 KRVPFQOGMPTBRD-UHFFFAOYSA-N 272.145 4.157 30 40 CIEB C#CCOc1ccc(CNc2ccccc2C)cc1Cl 409113239 ACLWLGJHNXVIGO-UHFFFAOYSA-N 285.774 4.273 30 40 CIEB C/C=C/C(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 575242825 KIMAMPFTKYJLKA-NSCUHMNNSA-N 282.183 4.483 30 40 CIEB CC[C@H](C)/C(=N/C)Nc1ccc(Cl)c(Cl)c1 1676649 LCUDVUMGFYXOTA-QMMMGPOBSA-N 259.180 4.480 30 40 CIEB Cc1ccc(/N=C/c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1C 4357755 UNKGVVPQOZZFLL-WOJGMQOQSA-N 297.358 4.028 30 40 CIEB Cc1ccc(N/N=C/c2ccc3ncccc3c2)c(C)c1 4868897 FQQGFEGPYQBNCL-UDWIEESQSA-N 275.355 4.298 30 40 CIEB FC(F)(F)C(F)(F)CCC(F)(F)C(F)(F)F 103525175 FUCPNELYUCUXTJ-UHFFFAOYSA-N 266.078 4.162 30 40 CIEB N#Cc1cccc(Oc2cccc3ccccc23)c1C#N 103740 KGKLHQYMMGOOSZ-UHFFFAOYSA-N 270.291 4.375 30 40 CIEB Cc1ccc2nc(C)cc(N/N=C/c3ccccc3O)c2c1 5006947 RPSVPBIPGQQXHW-YBFXNURJSA-N 291.354 4.003 30 40 CIEB COc1ccc([C@H]2C[C@H]2/C(C)=N/OCc2ccccc2)cc1 5382287 WLQFTXQRMPDHMI-BKZAGJQCSA-N 295.382 4.391 30 40 CIEB Cc1c(Cl)cccc1/N=C/c1ccc(N(C)C)cc1 100396973 JESPCWRBPXZKAK-WOJGMQOQSA-N 272.779 4.465 30 40 CIEB O/N=C1/CCC[C@H]1N(Cc1ccccc1)Cc1ccccc1 100977222 FDWMFULSPMATME-LAFOYAEKSA-N 294.398 4.072 30 40 CIEB CC(C)(C#N)CC[S@](=O)Cc1cccc2ccccc12 195567924 LDWKSJARBPLGMT-FQEVSTJZSA-N 285.412 4.028 30 40 CIEB C/C(=C\C(=O)c1ccc(C)o1)Nc1cccc(Cl)c1 409340831 BJNTXTXCIZMDAD-CSKARUKUSA-N 275.735 4.440 30 40 CIEB N#Cc1nc(-c2ccccc2)c(-c2ccccc2)nc1Cl 343631 STILKXBZDCHGBQ-UHFFFAOYSA-N 291.741 4.336 30 40 CIEB Cc1cc2c(C)c(-c3ccccc3)c(=O)oc2c(C#N)c1C 1588831 KOAAVUVSKWBAPF-UHFFFAOYSA-N 289.334 4.257 30 40 CIEB Cc1cc(C)n2cc(-c3sccc3Cl)c(C#N)c2n1 5379415 PWGBYEGEKXEKGB-UHFFFAOYSA-N 287.775 4.205 30 40 CIEB O/N=C(\Nc1ccc(Cl)cc1)c1ccccc1Cl 13138732 XTPWICDBNDGMGM-UHFFFAOYSA-N 281.142 4.241 30 40 CIEB CC(=O)c1c(F)cc(C(F)(F)F)cc1C(F)(F)F 38529832 LZFMZERKIQUOIX-UHFFFAOYSA-N 274.135 4.066 30 40 CIEB FC(F)(F)Oc1ccccc1C/N=C\c1ccccc1 100408952 PNKOCCHJMNFZOO-GRSHGNNSSA-N 279.261 4.204 30 40 CIEB O=C(C=C(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 1614994 PEXOKBNSWSJVAM-UHFFFAOYSA-N 286.146 4.059 30 40 CIEB C=CCNc1nc(-c2cc3ccccc3o2)cs1 3412115 GUIVINMKNHTJJH-UHFFFAOYSA-N 256.330 4.154 30 40 CIEB O=C(/C=C/c1ccccc1)c1c(F)c(F)c(F)c(F)c1F 3897172 LBHOSKBIBWDCFT-VOTSOKGWSA-N 298.210 4.278 30 40 CIEB biogenic Cc1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)o1 6256397 OXSFSLYQGZHFJQ-GIJQJNRQSA-N 285.734 4.236 30 40 CIEB C=CCOc1ccc(CNC2C3CC4CC(C3)CC2C4)cc1 6312982 OSHGBSYBDNYVIZ-UHFFFAOYSA-N 297.442 4.166 30 40 CIEB CCCCCCOc1ccc(Cl)cc1/C=N\O 11804520 YYMLMMSHUSIQLN-GDNBJRDFSA-N 255.745 4.107 30 40 CIEB C(=N/c1ccc(/N=C/c2ccco2)cc1)\c1ccco1 18061723 ZEJSGZOZUFRALE-JYFOCSDGSA-N 264.284 4.374 30 40 CIEB Cc1ccc(/C=C2\CCOc3ccc(F)cc3C2=O)s1 22756567 LXAAJQWURIIGOJ-DHZHZOJOSA-N 288.343 4.244 30 40 CIEB Cc1ccc(N/C=C/C(=O)c2cccc(Cl)c2)cc1 57509432 JSJYFNPPANVQBX-MDZDMXLPSA-N 271.747 4.457 30 40 CIEB Oc1ccccc1/C=N/c1nc(-c2ccccc2)cs1 101628142 LFUVACDYVZZJCD-LICLKQGHSA-N 280.352 4.266 30 40 CIEB CCCCCn1c(C#N)cc(N)c1Oc1ccc(C)cc1 225880458 KPRDXTCLOKREFH-UHFFFAOYSA-N 283.375 4.233 30 40 CIEB C=CC/N=c1\cc(-c2ccccc2)oc2ccc(C)cc12 1916589 KVWNJWNIORYPNR-LVZFUZTISA-N 275.351 4.495 30 40 CIEB O=C(/C=C/n1c(=S)oc2ccccc21)c1ccccc1 4007718 KOYLHAHRTTZNHF-ZHACJKMWSA-N 281.336 4.317 30 40 CIEB C=CCn1c(NCc2ccccc2Cl)nc2ccccc21 4741726 PKRDBPNZAPMMPW-UHFFFAOYSA-N 297.789 4.488 30 40 CIEB CCCC[C@@H](CC)C(=O)Nc1sc(C)c(C)c1C#N 5466669 FNIIEZMIOPWACM-GFCCVEGCSA-N 278.421 4.392 30 40 CIEB CCCC[C@@H](CC)[C@H](O)C#Cc1ccc(F)c(Cl)c1 95632856 ISMLBAIBOKHSIH-CZUORRHYSA-N 282.786 4.408 30 40 CIEB Cc1ccccc1/C=N\C12CC3CC(CC(C3)C1)C2 104282712 VDECDUYLXXIOJJ-UNOMPAQXSA-N 253.389 4.383 30 40 CIEB CSc1ccccc1/N=C/c1cc(C)n(C)c1C 408784095 SNQAVXOJAHYRAL-MHWRWJLKSA-N 258.390 4.114 30 40 CIEB C=CCOc1cccc(CNc2ccc(C)cc2C)c1 409122000 ZPQJIVGFSHRLBV-UHFFFAOYSA-N 267.372 4.480 30 40 CIEB O=C(/C=C/Sc1nc2ccccc2o1)c1ccccc1 174153 HQMCFXHKIBQWGZ-ZHACJKMWSA-N 281.336 4.317 30 40 CIEB FC(F)Oc1ccc(/N=C/c2ccsc2)cc1 3233873 WXCXZHUVZOAXJP-VIZOYTHASA-N 253.273 4.100 30 40 CIEB CCc1c(C)sc(NC(=O)c2ccc(C)s2)c1C#N 28225894 HSUHYVALNBDGTJ-UHFFFAOYSA-N 290.413 4.113 30 40 CIEB CC(C)c1ccc(Sc2ncc([N+](=O)[O-])cc2C#N)cc1 32829491 UOCDJGSHNGYTLA-UHFFFAOYSA-N 299.355 4.136 30 40 CIEB C(=N\N=C/c1c[nH]c2ccccc12)\c1c[nH]c2ccccc12 54961327 OUAMYDYQMNKPLV-IINORCHSSA-N 286.338 4.102 30 40 CIEB CCc1cc2c(cc1/C(C)=N/N)C(C)(C)CCC2(C)C 72334081 HATFFPWBDRYCAG-UDWIEESQSA-N 272.436 4.281 30 40 CIEB C#Cc1cccc(/N=C/c2cc(Cl)cc(Cl)c2O)c1 95626607 NFCUIGOZOMHBSW-GIJQJNRQSA-N 290.149 4.431 30 40 CIEB OC(/C=N\c1ccccc1)=C\C=C/Nc1ccccc1 100388904 AODMFXLIWQBNQE-PUYJEIOESA-N 264.328 4.457 30 40 CIEB CC1(C)CC(O)=C(/N=N\c2ccc(F)cc2)/C(=N/O)C1 5523093 GOVBINZOMCCBIE-XCYMNBNTSA-N 277.299 4.329 30 40 CIEB C=CCNc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 36613529 BAWJDHHOLUICFH-UHFFFAOYSA-N 293.292 4.069 30 40 CIEB Cc1cc(-c2ccc(/C=N\O)o2)c(C)cc1Br 45957912 TYQHUEPQIOOBDR-CHHVJCJISA-N 294.148 4.134 30 40 CIEB CCCCCC[C@](C)(O)C#Cc1cc(Cl)ccc1OC 95631545 DFNBKKLSPRYKDY-KRWDZBQOSA-N 294.822 4.422 30 40 CIEB O=C1/C(=C\c2ccccc2F)CCc2ccccc21 214593 SIVGEYSWRBQHKD-KAMYIIQDSA-N 252.288 4.038 30 40 CIEB OCc1cccc(/N=C/c2ccc(Cl)cc2Cl)c1 295127 DWCSNKHXSUZRDK-CAOOACKPSA-N 280.154 4.236 30 40 CIEB C[C@@H]1CCC/C(=N/Nc2ccc3ccccc3n2)C1 5423467 QTRQJBWCSNJCAU-QJGCXADHSA-N 253.349 4.213 30 40 CIEB O=C1/C(=C/c2cccc(F)c2)CCCc2ccccc21 28767244 RAZAJNVRLMAZGG-RVDMUPIBSA-N 266.315 4.428 30 40 CIEB CCCC[C@@H](CC)[C@@H](O)C#Cc1cc(C)ccc1C 95633556 OFHCMNFMIYMWBD-AEFFLSMTSA-N 258.405 4.232 30 40 CIEB C=C1[C@H]2CC[C@@H](C2)[C@]1(C)CC/C=C(/C)COC(C)=O 100826210 RCFGRZLLBGMERD-PQNDISRJSA-N 262.393 4.268 30 40 CIEB endogenous,in-man N#Cc1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 93457 WEYGMQKYVNIHJT-UHFFFAOYSA-N 290.731 4.271 30 40 CIEB C[C@H](C#N)Sc1nc2ccccc2n1-c1ccccc1 4829493 LSQRCXHWQLETAX-GFCCVEGCSA-N 279.368 4.030 30 40 CIEB FC(F)Oc1ccccc1/C=N/Nc1ccccc1Cl 5504668 SYPYMHZFPVUIOD-GIJQJNRQSA-N 296.704 4.387 30 40 CIEB C=CCn1c(NCc2ccccc2C)nc2ccccc21 6752544 GXXUAPLHZHTOPH-UHFFFAOYSA-N 277.371 4.143 30 40 CIEB COc1ccc(/N=C/c2cc(Cl)ccc2OC)cc1 8116452 PPSTWJJMDYFPJH-LICLKQGHSA-N 275.735 4.108 30 40 CIEB Cc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)s1 29150616 JCDNIMVAVWKPGE-UHFFFAOYSA-N 284.384 4.110 30 40 CIEB COc1ccc(N/C=C/C(=O)c2ccc(C)c(C)c2)cc1F 44844292 GJGZDMJXJWTXGH-CMDGGOBGSA-N 299.345 4.260 30 40 CIEB Cc1cc(C#N)ccc1OCc1cc(F)cc2cccnc12 60372395 WOEZNNBXJSBODC-UHFFFAOYSA-N 292.313 4.133 30 40 CIEB N#Cc1cc(-c2ccccc2)oc1/N=C/c1ccoc1 100914394 GUQBNHYJWJBWDS-VCHYOVAHSA-N 262.268 4.162 30 40 CIEB C=CC[C@H]1[C@H]2c3ccccc3[C@@H](C[C@@H]2C)N1CC=C 104019801 VDISSRTUMNHMAB-VIBAHUMZSA-N 253.389 4.297 30 40 CIEB CCn1c(C)cc(/C=N/c2ccc(F)cc2F)c1C 409107318 RVNPZLWQLCWTKW-GIJQJNRQSA-N 262.303 4.154 30 40 CIEB CCCCCCCCCCC#CC#CCCC(=O)O 2567247 RGDYQXRADMTROD-UHFFFAOYSA-N 262.393 4.389 30 40 CIEB Fc1cccc(/C=N/Nc2ccnc3cc(Cl)ccc23)c1 6422946 FSVWKJLMIVYAOI-KEBDBYFISA-N 299.736 4.473 30 40 CIEB O=C1/C(=C\c2ccc(F)cc2)CCOc2ccc(F)cc21 48521027 WAJIBYDROTYQFO-XFXZXTDPSA-N 286.277 4.014 30 40 CIEB C=CCC[C@H](C)Sc1nnc(NCc2ccco2)s1 95460215 UYMUPNQHSUFPNT-JTQLQIEISA-N 295.433 4.190 30 40 CIEB N#CCCCCCOc1cc(F)cc(Br)c1 95738545 YGHFHLGVYMJFSN-UHFFFAOYSA-N 286.144 4.051 30 40 CIEB O=[N+]([O-])c1ccc(N=Cc2c(O)ccc3ccccc23)cc1 253618235 OFXWURJGINWIEW-UHFFFAOYSA-N 292.294 4.204 30 40 CIEB C[C@@H](N/C=C/C(=O)c1ccc(Cl)cc1)c1ccccc1 409057106 IQPYUKYTMGOHGV-XZHRJIJLSA-N 285.774 4.387 30 40 CIEB C=CCc1cc(CNc2ccccc2)cc(OCC)c1OC 409122549 ZKXGAKYFVMLZTC-UHFFFAOYSA-N 297.398 4.435 30 40 CIEB COc1ccc(/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1 283251 YKEVZAUFIZLTGV-SXGWCWSVSA-N 290.706 4.007 30 40 CIEB Cc1cc(C)c([C@@H](C#N)CC(=O)c2ccccc2)c(C)c1 1609948 LLHZGWQHWMKOIV-QGZVFWFLSA-N 277.367 4.492 30 40 CIEB CC(C)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 5287180 OCPYPRIFFJCRBF-LICLKQGHSA-N 284.315 4.174 30 40 CIEB Cc1ccc(OCc2ccccc2C#N)c2c1[C@H](C)CC2=O 11052857 QBSNVLUCORRFPX-CYBMUJFWSA-N 291.350 4.136 30 40 CIEB CC(/C=C/c1ccc(OCc2ccccc2)cc1)=N\O 13111187 HDPQZESPJMVAAH-UABRHEIZSA-N 267.328 4.129 30 40 CIEB CC(=N\N(C)c1ccccc1)/C(C)=N/N(C)c1ccccc1 17021292 GAZUJKJJBRIPLV-MXWIWYRXSA-N 294.402 4.011 30 40 CIEB Cc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(O)c1 65118 OKCVJHXLLIZTAS-LZYBPNLTSA-N 290.706 4.013 30 40 CIEB CCCC(=O)/C=C1\c2ccccc2C(=O)N1c1ccccc1 1385753 UOEOOMAZVVRGJA-QGOAFFKASA-N 291.350 4.057 30 40 CIEB C=CCOc1ccc2c(C)c(CCCC)c(=O)oc2c1 2132445 LLGRCHSBQHXNCL-UHFFFAOYSA-N 272.344 4.009 30 40 CIEB biogenic C=CCNc1ncccc1-c1nc2cc(Cl)ccc2o1 4002230 JFOSGKPOLRHADW-UHFFFAOYSA-N 285.734 4.141 30 40 CIEB CC(C)(C)C(=O)/C=C\c1ccc(Br)cc1 17197554 PTEHJUKNDHZQIF-TWGQIWQCSA-N 267.166 4.078 30 40 CIEB CC(C)Cc1cc(-c2ccccc2Cl)c(C#N)c(N)n1 19707173 HMGWZVBUQOCBNR-UHFFFAOYSA-N 285.778 4.054 30 40 CIEB CO[C@@H](C)c1nc(CSc2cccc(C#N)c2)cs1 89913578 YIJMFCRUIZVCMS-JTQLQIEISA-N 290.413 4.014 30 40 CIEB C=C(F)COC(=O)c1cccc(Oc2ccccc2)c1 98174929 KJLOCVWUUPQUPB-UHFFFAOYSA-N 272.275 4.119 30 40 CIEB CCn1c(/N=C/c2c[nH]c3ccccc23)nc2ccccc21 100700314 NMGRKPQJOARERV-UDWIEESQSA-N 288.354 4.288 30 40 CIEB O=C1C=Cc2cccc3c2c1nc1c(O)c2ccccc2cc13 104194424 SYRSWRDZPGVLOC-UHFFFAOYSA-N 297.313 4.456 30 40 CIEB COc1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 243069 YCXRNLQTQOPWGN-CXUHLZMHSA-N 290.706 4.007 30 40 CIEB COc1ccccc1/C=C1\CCCc2ccccc2C1=O 481215 LFFKFHNNULFLHQ-DTQAZKPQSA-N 278.351 4.298 30 40 CIEB CCOc1cccc(/C=N/c2ccccc2Cl)c1O 5273437 GACGIPDNFAJZEC-LICLKQGHSA-N 275.735 4.195 30 40 CIEB O=[N+]([O-])c1ccc(/N=C/c2cccc3ccccc23)cc1 5379825 AKNQXXIWHOEQLO-LDADJPATSA-N 276.295 4.499 30 40 CIEB Clc1nc2ccccc2cc1/C=N/NCc1ccccc1 5533780 IYDFWKTUABAMIO-UDWIEESQSA-N 295.773 4.012 30 40 CIEB Cc1ccc(C23C[C@@H]4C[C@H](CC(C#N)(C4)C2)C3)cc1 100846098 UODLMKRYKAWVCJ-RCDYEMGKSA-N 251.373 4.357 30 40 CIEB C=CCc1cc(C(=O)Nc2cc(C)ccc2C)ccc1OC 408705990 SFPYOBNHCDZAMS-UHFFFAOYSA-N 295.382 4.293 30 40 CIEB CCCOc1cccc(/C=N\c2ccc(OC)cc2)c1 409209944 IQGLBURZTQMSFK-AQTBWJFISA-N 269.344 4.235 30 40 CIEB Cc1ccc([C@H]2O[C@]23CCCc2ccccc2C3=O)cc1 163835 YGWPGDCQINZONS-MOPGFXCFSA-N 278.351 4.024 30 40 CIEB Cc1ccc(OCCCn2cc(C#N)c3ccccc32)cc1 2177355 NUVYOQWJTJKHIN-UHFFFAOYSA-N 290.366 4.291 30 40 CIEB CCCCCC(=O)O/N=C1\CCCc2c1[nH]c1ccccc21 4037328 GXLULOUONUTMNG-CAPFRKAQSA-N 298.386 4.332 30 40 CIEB O/N=C1\CCCCCC[C@H]1SCc1ccccc1 5773870 PQLCLZANVLHLEE-DPEHCCBOSA-N 263.406 4.473 30 40 CIEB N#C[C@]1(c2ccccc2)CCC[C@@]1(C#N)c1ccccc1 18088236 ITCMDGNDFRRZFI-KDURUIRLSA-N 272.351 4.093 30 40 CIEB Cc1cccc(N/C=C/C(=O)c2ccc(C)c(C)c2)c1 44843824 XWNDIFYBJNVEMQ-MDZDMXLPSA-N 265.356 4.420 30 40 CIEB O=C(/C=C/c1ccccc1)c1ccc(F)c(Cl)c1 48501989 VKMIGHMEAAIVEP-RMKNXTFCSA-N 260.695 4.375 30 40 CIEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)Nc1ccccc1OC)C2 100748804 TZVXTLOOGJXPLY-ACJLOTCBSA-N 285.387 4.016 30 40 CIEB CCCCCCCC#Cc1ccc(OC)c(OC)c1 101733437 WFWPSSHRGCJEMF-UHFFFAOYSA-N 260.377 4.416 30 40 CIEB Cc1ccc([N+](=O)[O-])cc1/N=C/c1sccc1C 356427 NLAGNXCJVZJBCS-RIYZIHGNSA-N 260.318 4.024 30 40 CIEB N#Cc1c2c(c(Cc3ccccc3)[nH]c1=S)CCCC2 1279537 XVETURQPEVREHT-UHFFFAOYSA-N 280.396 4.085 30 40 CIEB N#Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 8382012 HBPNWNHVMHBZTC-UHFFFAOYSA-N 277.298 4.430 30 40 CIEB COc1ccc(N/C(C)=C/C(=O)c2ccc(C)cc2)cc1 32100377 FGJBAYDCFRIAFT-WYMLVPIESA-N 281.355 4.202 30 40 CIEB N#Cc1c(NC(=O)C2CCCCC2)sc2c1CCCC2 380936 HABPUSRRADTLAQ-UHFFFAOYSA-N 288.416 4.017 30 40 CIEB N#Cc1c(F)cccc1[C@H](C#N)c1ccc(Cl)cc1 1400280 BLQXTEPFWJUPII-CYBMUJFWSA-N 270.694 4.006 30 40 CIEB Cc1ccc(C)n1-c1sc2c(c1C#N)CC[C@H](C)C2 1465739 SYRFVXGIWAOXSC-JTQLQIEISA-N 270.401 4.152 30 40 CIEB CCOc1cccc(/C=N/c2cccc(Cl)c2F)c1O 5290518 FFFGJXGBSGWVBR-GIJQJNRQSA-N 293.725 4.334 30 40 CIEB C=CCCCCCCCCC(=O)NCCC(C)C 4041487 GCDJGPJEDZENPH-UHFFFAOYSA-N 253.430 4.456 30 40 CIEB biogenic CCCCCCCc1ccc(C(=O)CCC(=O)OC)cc1 575357742 ZMGFIHYUOJIRMG-UHFFFAOYSA-N 290.403 4.335 30 40 CIEB CN1C=C[C@@H]([C@H](C#N)c2ccccc2)c2ccccc21 1615097 CYTQRUOSBUDSIB-NVXWUHKLSA-N 260.340 4.041 30 40 CIEB CN(C)c1ccc(/C=C2/Oc3ccc(Cl)cc3C2=O)cc1 1633601 TXAACZUJTQERQU-CXUHLZMHSA-N 299.757 4.022 30 40 CIEB Cc1cccc(/C=N/c2cccc(NC(=O)C(C)C)c2)c1O 6035155 NQGJFZDJPNXPPV-YBFXNURJSA-N 296.370 4.046 30 40 CIEB Cc1ccc(C(=O)/C=C/c2ccccc2Br)o1 16975935 JXYMEOBFTKZCQE-BQYQJAHWSA-N 291.144 4.247 30 40 CIEB O=C1/C(=C\c2ccccc2)C=C/C1=C\c1ccccc1 18180255 KAWKDYPTDUPFBJ-SIJTWYJSSA-N 258.320 4.293 30 40 CIEB Brc1ccc(/N=C\c2ccccc2)cc1 18180652 DJGDQBWKJYPZEF-GDNBJRDFSA-N 260.134 4.200 30 40 CIEB C=C(C)Cn1c(Cc2ccccc2)nc2ccccc21 572421 QCDRWMUXSFTVBW-UHFFFAOYSA-N 262.356 4.203 30 40 CIEB N#Cc1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12 6258349 ISBVHHGTBQMAQA-UHFFFAOYSA-N 279.302 4.302 30 40 CIEB C(=C\c1ccccc1)\C=N/N=C\C=C/c1ccccc1 16890943 MIBXLDBZXACZIE-HDYZKWOOSA-N 260.340 4.470 30 40 CIEB Clc1ccc(/C=N/N=C\c2ccco2)c(Cl)c1 16919158 CKJXBXRIJBSWIE-AUYDJSIHSA-N 267.115 4.039 30 40 CIEB Cc1sc(NC(=O)N[C@@H](C)c2ccccc2)c(C#N)c1C 24562109 DLDAXDBGDKMFHR-NSHDSACASA-N 299.399 4.119 30 40 CIEB COc1ccc(/C=C2\CC(c3ccccc3)=CC2=O)cc1 227127 WVGCKDXFUAAECK-GZTJUZNOSA-N 276.335 4.135 30 40 CIEB C=C(C)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 491307 ABSFYAOTEVNLDH-UHFFFAOYSA-N 292.334 4.415 30 40 CIEB biogenic CCCc1ccc(C(=O)/C=C/c2ccc(C#N)cc2)cc1 7717272 IPMHDUWVLMJDII-JLHYYAGUSA-N 275.351 4.407 30 40 CIEB CC(/C=C/c1ccccc1)=N/OC(=O)c1ccc(C)cc1 12403921 NVTKYXMKHZGHGF-WYNJXFTKSA-N 279.339 4.241 30 40 CIEB Fc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1 17201599 NXMKNGLJOZZUMA-VCHYOVAHSA-N 297.358 4.395 30 40 CIEB C(=N/c1ccc2ncccc2c1)\c1ccc(N2CCCC2)o1 59138554 FDBOYMAZVYWLBI-DEDYPNTBSA-N 291.354 4.179 30 40 CIEB C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CCCC[C@H]4[C@@H]3CC[C@]21C 63338591 YNVGQYHLRCDXFQ-UEDNIHKISA-N 284.443 4.314 30 40 CIEB CCCCCCCCCCCC(=O)CC(=O)OCC 103653302 WQTNJLRLUQMQEL-UHFFFAOYSA-N 270.413 4.430 30 40 CIEB Oc1ccc2ccccc2c1/C=N\c1ccc(F)cc1 13406297 XMAKMVMGFLCDJA-ODLFYWEKSA-N 265.287 4.435 30 40 CIEB CCc1ccc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1 32160302 ZXNPOFHZKDOXKF-PKNBQFBNSA-N 296.366 4.162 30 40 CIEB Cc1cc(Cl)ccc1/N=C\c1ccc2c(c1)OCO2 104217619 XETIDYKBCFKGJU-IUXPMGMMSA-N 273.719 4.128 30 40 CIEB O=NN1[C@H](c2ccccc2)CC(=NO)C[C@H]1c1ccccc1 5850793 VNAFUGYZYRNVJV-IRXDYDNUSA-N 295.342 4.076 30 40 CIEB CCCOc1ccc(N/C=C2\CCCCCC2=O)cc1 6417857 NCLKNIOWSHRSMV-BUHFOSPRSA-N 273.376 4.304 30 40 CIEB C=CCOc1ccc(/C=N/c2ccccc2)cc1OC 8113388 REJGZRMVHLTFIN-QGOAFFKASA-N 267.328 4.011 30 40 CIEB N#Cc1ccccc1-c1ccc(CN2CCCCC2)cc1 14855691 SXVRXQHHOWVZGU-UHFFFAOYSA-N 276.383 4.211 30 40 CIEB Cc1ccc(C(=O)/C=C/Nc2c(C)cccc2C)cc1 17087092 VHXYRUUYYUDJHF-VAWYXSNFSA-N 265.356 4.420 30 40 CIEB COc1ccc(C)cc1CSCc1ccc(C#N)cc1 61453982 CMCHELKRIRXECG-UHFFFAOYSA-N 283.396 4.309 30 40 CIEB C=C(C)[C@H]1CC=C(C)/C(=N\NC(=S)Nc2ccccc2)C1 101467196 DBQLVOPQWCHCRZ-DNQHLSNTSA-N 299.443 4.261 30 40 CIEB C=CCC(C)(C)C(=O)Nc1ccc(OC)c2ccccc12 225941859 XVPVRMKPDGRSRR-UHFFFAOYSA-N 283.371 4.389 30 40 CIEB CC(=NNc1ccncc1)c1ccc2ccccc2c1 253476380 FIJFOWVYBHSJSE-UHFFFAOYSA-N 261.328 4.071 30 40 CIEB CCn1c(-c2ccccc2)c(C(=O)CC#N)c2ccccc21 3886200 AHBCWBZOKBZEMN-UHFFFAOYSA-N 288.350 4.425 30 40 CIEB N#Cc1cccc(NC(=O)c2cc(Cl)sc2Cl)c1 22397765 ZZJZBQUXNXEVJX-UHFFFAOYSA-N 297.166 4.179 30 40 CIEB CC(C)=NNc1nc2ccc3ccccc3c2s1 45920175 USYFRIMWIGYPQT-UHFFFAOYSA-N 255.346 4.257 30 40 CIEB Cc1cc(C#N)cc(C)c1Oc1cc(Cl)nc(Cl)n1 52537258 IVIJQBJPKVPGJT-UHFFFAOYSA-N 294.141 4.064 30 40 CIEB O=[N+]([O-])c1ccc(O)c(/C=N\c2ccc3ccccc3c2)c1 83328163 SRRGDGYBSLYXRQ-WQRHYEAKSA-N 292.294 4.204 30 40 CIEB Cc1ccc2cc(/C=N/c3ccc(C)c(C)c3)c(=O)[nH]c2c1 1268937 OKDRAEYYTABJQS-RGVLZGJSSA-N 290.366 4.204 30 40 CIEB O=C(C#Cc1ccccc1)Nc1ccccc1-c1ccccc1 1431567 OOGMYQOVMDIZJR-UHFFFAOYSA-N 297.357 4.344 30 40 CIEB C=C[C@@]1(C)CC[C@@H]2[C@@H](O1)c1ccccc1OC2(C)C 4027181 WNGKNBXEGIYGPF-KMFMINBZSA-N 258.361 4.270 30 40 CIEB O=C(/C=C/c1cccnc1)c1ccc(Cl)c(Cl)c1 7586941 UBJQXGBXVPKRLL-ZZXKWVIFSA-N 278.138 4.285 30 40 CIEB CCCCCCCC(=O)Nc1ccc(N(C)C)cc1 8450731 WFQQAPVHDKMNBY-UHFFFAOYSA-N 262.397 4.052 30 40 CIEB Cc1cc(NCc2ccc(Cl)cc2)nc(Cl)c1C#N 33376773 IKTJICJMIODQBJ-UHFFFAOYSA-N 292.169 4.181 30 40 CIEB CN(C)c1ccc(/N=C/c2ccc3ccccc3c2O)cc1 90501960 ILWPWSYQEQBXIT-DEDYPNTBSA-N 290.366 4.362 30 40 CIEB C=CCCCCCCCCCSc1nnc(C)c(O)n1 94993247 RAKAQEWSMJWYCI-UHFFFAOYSA-N 295.452 4.285 30 40 CIEB CCc1ccccc1/N=C/c1cccn1-c1ccc(O)cc1 409021310 AVOATCVYOUSOEO-XSFVSMFZSA-N 290.366 4.496 30 40 CIEB Oc1ccccc1/C=N\c1cc(Cl)ccc1Cl 3199790 QUHYROKUZIGSDC-PXNMLYILSA-N 266.127 4.450 30 40 CIEB CC(C)c1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1 5023057 HKTXSXBGBQQAFR-WOJGMQOQSA-N 278.359 4.132 30 40 CIEB C[C@@H](O)c1cccc(/N=C/c2ccc3ccccc3c2O)c1 13122272 YYAXIUZXBZJSND-HMHKGCENSA-N 291.350 4.349 30 40 CIEB CCCC[C@H](CC)[C@H](O)C#Cc1ccc(C)c(F)c1 95633694 UHVUIXUBUQKCQT-DOTOQJQBSA-N 262.368 4.063 30 40 CIEB CN(C)c1ccc([N+]([O-])=Cc2cccc3ccccc23)cc1 104256046 BRUVCPRJDSCMDC-UHFFFAOYSA-N 290.366 4.167 30 40 CIEB Cc1ccc(/N=C/c2cccn2-c2ccc(O)cc2)cc1 409017029 DHMDOTMGNVSWLI-CPNJWEJPSA-N 276.339 4.242 30 40 CIEB C=C(Br)Cc1ccc(Br)cc1C 1848444283 XNQLYROZBCTEJW-UHFFFAOYSA-N 289.998 4.209 30 40 CIEB COc1cccc(/N=C2\Nc3cccc4cccc2c34)c1 1253516 FHSZDGCXOARJMU-UHFFFAOYSA-N 274.323 4.352 30 40 CIEB C(/C=C/c1ccccc1)=N/c1cc(-c2ccccc2)n[nH]1 6423918 PNWWURCJCMWUFQ-FWANDEGBSA-N 273.339 4.492 30 40 CIEB C=CCOc1ccc(/C=N/c2ccc(OC)cc2)cc1OC 8116581 SBJJQHPVOYMJDL-CPNJWEJPSA-N 297.354 4.019 30 40 CIEB O=C(O)c1ccc(Cl)c(/N=C/C=C\c2ccccc2)c1 16954235 FSHWJQZOJIGHCI-WTWSDYARSA-N 285.730 4.454 30 40 CIEB CC1=C/C(=N\OC(=O)c2ccccc2F)CC(C)(C)C1 17136213 GWCKJKRMXUTEEE-LDADJPATSA-N 275.323 4.105 30 40 CIEB N#CC1(c2cccc(C(F)(F)F)c2)CCCCC1 20429404 IQGDWHBCFPWBSV-UHFFFAOYSA-N 253.267 4.431 30 40 CIEB CC(C)=NNc1nc2c(C(F)(F)F)cccc2s1 57327448 SLEZSJXHYRRLLY-UHFFFAOYSA-N 273.283 4.123 30 40 CIEB C=C(c1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(C)C 72207935 WYTUKRCDDGKWTE-HNNXBMFYSA-N 275.392 4.249 30 40 CIEB C=CCOc1cc(C(=O)N2CCCCCC2)cc2occc12 72240264 MMUYNABJLGEHBZ-UHFFFAOYSA-N 299.370 4.014 30 40 CIEB O/C(CN1CCC[C@H]1c1ccccc1)=N\c1cccc(F)c1 82100681 JPCGBXGDIDYMDX-KRWDZBQOSA-N 298.361 4.251 30 40 CIEB N#CCCSc1ccccc1NC(=O)C1CCCCC1 95953450 QRLFRCDBTUNHLO-UHFFFAOYSA-N 288.416 4.211 30 40 CIEB C=C(C)COC(=O)c1cccc(Oc2ccccc2)c1 98174935 VJLONKHNJUBSEO-UHFFFAOYSA-N 268.312 4.212 30 40 CIEB O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(F)cc2F)c1 409093593 AZTHDNAZZPWRTO-REZTVBANSA-N 296.660 4.277 30 40 CIEB C=C(Br)Cc1cccc(C(C)(C)C)c1 1848444259 KXXHYUBYOIPYGX-UHFFFAOYSA-N 253.183 4.435 30 40 CIEB Cc1cc(Cl)ccc1NCc1ccccc1C#N 40007890 OLQGDMKVPSCJFM-UHFFFAOYSA-N 256.736 4.132 30 40 CIEB CCCCCCCCCCCCCC[C@@H](N)CN 43938955 PWJWNZBLKWYLPP-MRXNPFEDSA-N 256.478 4.364 30 40 CIEB COc1ccc(N/C=C/C(=O)c2ccc(C)c(C)c2)cc1 44843887 UYDQTOSFWSFTDT-ZHACJKMWSA-N 281.355 4.121 30 40 CIEB N#Cc1ccc(OCc2ccccc2OC(F)(F)F)cc1 85348052 COXDYJGTFWUKLO-UHFFFAOYSA-N 293.244 4.036 30 40 CIEB CCN1c2cc(Cl)c(C#N)cc2[C@H](C)CC1(C)C 260725572 YEYKOUFHPCDKBR-SNVBAGLBSA-N 262.784 4.324 30 40 CIEB O=C(/C=C/c1ccoc1)/C=C/c1c[nH]c2ccccc12 261492865 FDHSRTVUBMYKPQ-KQQUZDAGSA-N 263.296 4.057 30 40 CIEB C=C(Cl)CCc1cccc(OC(F)(F)F)c1 1848444263 NDRVNTRKQDOOEC-UHFFFAOYSA-N 250.647 4.270 30 40 CIEB O=C1/C(=C/c2ccc(F)cc2)Sc2ccccc21 120402 IKDHXNGXOLUZNT-ZROIWOOFSA-N 256.301 4.155 30 40 CIEB CCOc1ccc(/C=N/c2ccc(CC)cc2)cc1 575350 NZJUVXGDRZDAEY-QGOAFFKASA-N 253.345 4.398 30 40 CIEB C=CCOc1ccc(CNc2ccccc2)cc1OCC 6319141 XFXBNXRTBOVFGG-UHFFFAOYSA-N 283.371 4.262 30 40 CIEB Oc1ccc(/N=C\c2c(O)ccc3ccccc23)cc1 18178103 KPLUVIWNJYXFQT-WQRHYEAKSA-N 263.296 4.002 30 40 CIEB C[C@@H](c1cc2ccccc2o1)N(C)Cc1ccc(C#N)cc1 32754438 CTHAHTAEROWAJX-AWEZNQCLSA-N 290.366 4.497 30 40 CIEB Sc1ccccc1/N=C\c1ccc(N2CCCC2)cc1 408853992 VENQCRMFPVSLPZ-AQTBWJFISA-N 282.412 4.326 30 40 CIEB Cc1cccc(O)c1/N=C/c1cc(Cl)cc(Cl)c1O 59992 FAXAYJQFTLYFJX-REZTVBANSA-N 296.153 4.464 30 40 CIEB O=C(/C=C/c1ccccc1)Sc1nc2ccccc2o1 320473 UBRYYBIGHKBDOL-ZHACJKMWSA-N 281.336 4.160 30 40 CIEB CCn1nc(C)c(/N=C/c2c(O)ccc3ccccc23)c1C 2741519 YTLGJKZUEIFBNF-YBFXNURJSA-N 293.370 4.129 30 40 CIEB CC1=C(C)C[C@@](C#N)(C(F)(F)F)[C@](C#N)(C(F)(F)F)C1 4350216 SFGPPXMQDSSDRM-UWVGGRQHSA-N 296.214 4.261 30 40 CIEB C#Cc1cccc(/N=C/c2cc(Cl)cc(C)c2O)c1 17129763 UDDLQWZLZVOSHE-VCHYOVAHSA-N 269.731 4.086 30 40 CIEB COc1ccc(C(=O)/C=C\c2cccc(Cl)c2)cc1 33376739 UNNQBOJITJAFMT-YHYXMXQVSA-N 272.731 4.245 30 40 CIEB C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC(C)=O 39025249 WJXLWXJYJCBHME-IDCNUPLLSA-N 292.419 4.219 30 40 CIEB biogenic,in-vitro Cc1cc(-c2ccc(/C=N/O)o2)cc(C)c1Br 45888709 RWVLIWFWXHRGRA-VIZOYTHASA-N 294.148 4.134 30 40 CIEB CCc1ccc(/N=C2/C=C(O)C(=O)c3ccccc32)cc1 101643096 AERRPULWPIGSEB-MNDPQUGUSA-N 277.323 4.008 30 40 CIEB C/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530164 LBTBAOQFPSJOFP-NSCUHMNNSA-N 260.099 4.031 30 40 CIEB C/C(=C\C(=O)c1ccc(C)o1)Nc1ccccc1S 409354739 AQFOYHFQMXQMJL-MDZDMXLPSA-N 273.357 4.075 30 40 CIEB Cc1ccccc1/[N+]([O-])=C/c1cccc(Br)c1 84367 CVQPRBQWBZDNAR-YBEGLDIGSA-N 290.160 4.018 30 40 CIEB C1=C[C@H](c2ccc(/C=N/Nc3ccccn3)s2)CC1 5446192 SLMMWEDDSLGLIO-OOIIIRTPSA-N 269.373 4.023 30 40 CIEB CCOc1ccc(/N=C/c2ccccc2OCC)cc1 5465296 WHDYVAIXGABTIL-QGOAFFKASA-N 269.344 4.235 30 40 CIEB O/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 13143574 RYRUJBVKIOISNY-NSIKDUERSA-N 256.088 4.062 30 40 CIEB Cc1cc(Cl)ccc1/N=C\c1ccc(N(C)C)cc1 104225005 VOMIFQABAXADCU-WQRHYEAKSA-N 272.779 4.465 30 40 CIEB CO[C@](C)(/C(C)=N\O)c1ccc(-c2ccccc2)cc1 104336005 TXUGTWCPYXEPCI-GFWHJHDHSA-N 269.344 4.065 30 40 CIEB Cc1cccc(C(=O)C=C(C(F)(F)F)C(F)(F)F)c1 1614980 CJBVYGKUMVNXIU-UHFFFAOYSA-N 282.183 4.229 30 40 CIEB CCCCCCCNC(=O)[C@@H](CC)c1ccccc1 2790545 CNTOUELNTGKOPQ-INIZCTEOSA-N 261.409 4.267 30 40 CIEB CCCC(=O)Nc1sc2c(c1C#N)CCCCCC2 4178505 KAWCBHKWIKXPJB-UHFFFAOYSA-N 276.405 4.017 30 40 CIEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OC 6960431 PJKALQWWCXZSEI-XDHOZWIPSA-N 283.371 4.461 30 40 CIEB CCc1nc(NC2CCCCC2)c(C#N)c2c1CCCC2 19708064 QBYMIBNQXHBUDR-UHFFFAOYSA-N 283.419 4.139 30 40 CIEB CCCCCC[C@](C)(O)C#Cc1ccc(F)cc1C 95632321 PZTYTKKTCPLXOL-KRWDZBQOSA-N 262.368 4.207 30 40 CIEB CCCCCCCC(=O)N(CC(C)C)CC(C)C 1733531 YYHSXMTVMUNRER-UHFFFAOYSA-N 255.446 4.488 30 40 CIEB O=C(/C=C/c1cccc(O)c1)c1ccc2ccccc2c1 7740907 ICKOKDCULNYYSL-DHZHZOJOSA-N 274.319 4.442 30 40 CIEB N#Cc1cccc(Nc2ccc(Cl)c(Cl)c2)n1 81616231 FRZZVEDQSQUTOE-UHFFFAOYSA-N 264.115 4.004 30 40 CIEB CCCCOc1ccc(/N=C/c2ccc(C#N)cc2)cc1 2527967 NFABQUNUXAXGBJ-XSFVSMFZSA-N 278.355 4.488 30 40 CIEB C#C[C@@](C)(CCC=C(C)C)OC(=O)Nc1ccccc1 5382913 VEUHRHKWAGHIJM-KRWDZBQOSA-N 271.360 4.373 30 40 CIEB N#Cc1cccc(C(=O)Oc2ccc(Cl)c(Cl)c2)c1 6377946 MGZNAECBYUTBIC-UHFFFAOYSA-N 292.121 4.084 30 40 CIEB CCN(CC)c1ccc(/C=N/c2c(C)nn(CC)c2C)cc1 408975040 IXTASJFNFFAMES-CPNJWEJPSA-N 298.434 4.117 30 40 CIEB CCCCCCCCCC(=O)c1ccc(O)c(C(=O)O)c1 1536969 VHDBCRXSHLVFGR-UHFFFAOYSA-N 292.375 4.414 30 40 CIEB Cc1ccccc1/C=C/C(=O)c1ccc(-n2cccn2)cc1 12800656 DRUDKDDYVRXCDH-FMIVXFBMSA-N 288.350 4.077 30 40 CIEB C/C(=N/O)c1sc(Nc2ccccc2Cl)nc1C 13401365 ZAUCSGZMBHAXEU-PXNMLYILSA-N 281.768 4.047 30 40 CIEB O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)Cc2ccccc21 16049035 DYHVWBSTSLKBAW-KPKJPENVSA-N 299.713 4.071 30 40 CIEB CCCCCCCCOc1ccc(CO)cc1OCC 59055105 CNZRTISWCWJZOI-UHFFFAOYSA-N 280.408 4.317 30 40 CIEB CC(C)c1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1 409070468 YBVYTLQFCLEVJZ-LICLKQGHSA-N 284.315 4.174 30 40 CIEB O=[N+]([O-])c1cccc(/N=C/c2c(O)ccc3ccccc23)c1 61083 GXQXBDUXCNDKBT-WOJGMQOQSA-N 292.294 4.204 30 40 CIEB Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1C 444147 GEULBHKNGOGTOA-CXUHLZMHSA-N 291.192 4.155 30 40 CIEB CSC(SC)=C(CC#N)C(=O)c1ccc(Cl)cc1 1395731 ZNPODFARJUFMJI-UHFFFAOYSA-N 297.832 4.374 30 40 CIEB N#C[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 4946216 AQROMKCCQRTJFM-HXUWFJFHSA-N 299.373 4.230 30 40 CIEB CC(C)CC(=O)Nc1sc2c(c1C#N)CCCCCC2 5384149 RGABKHOBKWUODP-UHFFFAOYSA-N 290.432 4.263 30 40 CIEB Oc1ccc(N/N=C/c2ccc(Cl)c(Cl)c2)cc1 5944843 FZEKWDWOKHBQLY-LZYBPNLTSA-N 281.142 4.145 30 40 CIEB CC(C)c1ccc(Nc2ccc([N+](=O)[O-])cc2C#N)cc1 7786750 FKROZWBACDQUHZ-UHFFFAOYSA-N 281.315 4.333 30 40 CIEB N#Cc1ccc(Oc2cccc(Cl)c2Cl)nc1 19519820 PXLQYCSWKOVCIB-UHFFFAOYSA-N 265.099 4.052 30 40 CIEB COc1cc(C)c(/C=N\c2cc(C)ccc2C)cc1OC 408548621 JWKCWQDALZHJPY-ODLFYWEKSA-N 283.371 4.380 30 40 CIEB CN(C)c1ccc(-n2cccc2/C=N\C2CCCCC2)cc1 408953996 RIVUCUIWPJPYQA-HKWRFOASSA-N 295.430 4.295 30 40 CIEB COc1ccc2c(c1)Cc1sc(/N=C\c3ccco3)nc1-2 409059316 VZGHAGNQUVLARR-MFOYZWKCSA-N 296.351 4.067 30 40 CIEB CCn1c(C)cc(/C=N\c2ccc(Cl)cc2O)c1C 409106782 UHRDGMCJVIVEDR-MFOYZWKCSA-N 276.767 4.234 30 40 CIEB C/C(=C\C(=O)c1ccc(C)o1)Nc1cc(C)cc(C)c1 409349341 PYTGBDJSYPBZPR-JLHYYAGUSA-N 269.344 4.403 30 40 CIEB N#Cc1nc(-c2ccco2)oc1NCc1ccccc1Cl 543261 BVWALFQDVGJGJD-UHFFFAOYSA-N 299.717 4.072 30 40 CIEB COc1cccc(/C=N/c2ccc(C)cc2Cl)c1O 5287172 YDWNTZKULNJIRI-RQZCQDPDSA-N 275.735 4.113 30 40 CIEB C=CCNc1nc(-c2ccc(Cl)cc2)c(C)s1 7274094 SZBPECKBJSFRDF-UHFFFAOYSA-N 264.781 4.370 30 40 CIEB N#C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 37263072 ZKQZXOHHGSSQLN-AEFFLSMTSA-N 296.801 4.079 30 40 CIEB Oc1ccc(Cl)cc1/C=N/Cc1ccc(F)cc1Cl 44835602 WIBJMDHJJPIMER-QGMBQPNBSA-N 298.144 4.457 30 40 CIEB Cc1ccc(C#Cc2ccccc2OC(F)(F)F)cc1 95633929 MVRXBWXYQHVSFV-UHFFFAOYSA-N 276.257 4.293 30 40 CIEB CCCCCCCC(=O)c1ccc(C2OCCO2)s1 100322053 DAPMBTRNGZHTEO-UHFFFAOYSA-N 282.405 4.337 30 40 CIEB C(=N\c1ccc(/N=C/c2ccco2)cc1)\c1ccco1 101144798 ZEJSGZOZUFRALE-MJZABRMRSA-N 264.284 4.374 30 40 CIEB C/C(=N\Nc1nc(C)c(C)s1)c1ccc(Cl)cc1 409053887 RRXINYLDVVBPEF-CXUHLZMHSA-N 279.796 4.249 30 40 CIEB CC(C)/C(=N\Nc1ccccc1[N+](=O)[O-])c1ccccc1 4576210 FPBPHNZDCMQOAM-FBMGVBCBSA-N 283.331 4.067 30 40 CIEB O=C1/C(=N/Nc2ccccc2Cl)Sc2ccccc21 6000037 UBVXLBNZUOZXST-VKAVYKQESA-N 288.759 4.054 30 40 CIEB C=CC[N+](C)(C)Cc1sc(Cl)c(Cl)c1Cl 28628808 FZCSNPIERUNKNO-UHFFFAOYSA-N 285.647 4.471 30 40 CIEB CN(C)c1ccc(/C=C\C=C/C(=O)c2ccccc2)cc1 31719611 LPBLXAAJRXCURS-NFNKYSHCSA-N 277.367 4.205 30 40 CIEB C/C(Nc1ccc(O)cc1)=C1/Sc2ccccc2C1=O 100095078 FQMPVBXLBNJZEN-YBEGLDIGSA-N 283.352 4.024 30 40 CIEB CC(C)(C)c1ccc(C(=O)Nc2ccccc2C#N)cc1 341226 BZEXWBPJLLULMX-UHFFFAOYSA-N 278.355 4.108 30 40 CIEB CCCCCCCCCC(=O)NCc1ccccc1 3159314 JDZUNURBSBBPQU-UHFFFAOYSA-N 261.409 4.444 30 40 CIEB CCCCCCCCn1c([C@@H](C)O)nc2ccccc21 50704821 DMQLYQJQAGIUMZ-CQSZACIVSA-N 274.408 4.450 30 40 CIEB Oc1ccccc1/N=C\c1ccc2ccccc2c1O 100248442 POVDEAGJCGXHOK-WQRHYEAKSA-N 263.296 4.002 30 40 CIEB COc1cccc(C(=O)/C=C(\C)Nc2cccc(F)c2)c1 106156200 VFALAGKUWLJOBC-FMIVXFBMSA-N 285.318 4.033 30 40 CIEB CC1(C)C[C@@H]([C@H](CC#N)c2ccc(F)cc2)CCO1 171694 DIWYBBYYGVJQJO-DZGCQCFKSA-N 261.340 4.028 30 40 CIEB C=C[C@@](C)(O)C[C@H]1[C@@](C)(O)CC[C@H]2C(C)(C)CCC[C@@]21C 4028000 HTYVNKCNBDAITQ-XJWCYLOLSA-N 294.479 4.307 30 40 CIEB C(=N/Nc1ccc2ccccc2n1)\c1c[nH]c2ccccc12 5391077 DORZDXCVJQHRLT-UDWIEESQSA-N 286.338 4.162 30 40 CIEB CCc1ccc(/C=N\Nc2nc3c(s2)C[C@H](C)CC3)cc1 31833862 SSXXJGUNQQICDT-OTWJJXBCSA-N 299.443 4.276 30 40 CIEB C=C(C)C(=O)c1ccc(OCc2ccccc2)cc1 381939537 WGFIWIYYRWKGDY-UHFFFAOYSA-N 252.313 4.024 30 40 CIEB CC(C)CCc1ccc(C#N)n1Cc1ccc(F)cc1 226025308 WGXYRNFUJNPVNA-UHFFFAOYSA-N 270.351 4.136 30 40 CIEB C=CCOc1ccc(C(=S)NCc2cccc(C)c2)cc1 408572156 FLRWERYWFDDLMD-UHFFFAOYSA-N 297.423 4.025 30 40 CIEB CC(C)c1ccc(/C=N/c2ccc3c(c2)OCO3)cc1 576188 KXPFRLGJSPYNGF-VCHYOVAHSA-N 267.328 4.289 30 40 CIEB Cc1cc([C@@H](C)NC(=O)Nc2ccc(C#N)cc2)c(C)s1 31662758 XWVOIDDYJJREHS-LLVKDONJSA-N 299.399 4.119 30 40 CIEB Cc1ccc(-c2cs/c(=N\N=C3CCCCC3)[nH]2)cc1 54362881 KHLVZVWWHKJADP-UHFFFAOYSA-N 285.416 4.272 30 40 CIEB in-vivo Cc1ccc(-c2cnc(CO/N=C/c3cccs3)o2)cc1 79065207 XUXUQMXHYSXHTR-GIJQJNRQSA-N 298.367 4.262 30 40 CIEB Oc1ccc(/N=C/c2ccc3ccccc3c2O)cc1 100248435 GBJYDXBVQIPJFH-WOJGMQOQSA-N 263.296 4.002 30 40 CIEB CCc1ccc(/N=C\c2cc(OC)c(OC)c(OC)c2)cc1 102915441 LIQFNGGAKXIUPT-UNOMPAQXSA-N 299.370 4.025 30 40 CIEB O/N=C(\CCc1ccccc1Cl)c1ccccc1 104321827 YZPIPADRCRNDHF-BMRADRMJSA-N 259.736 4.151 30 40 CIEB O/N=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1 216811703 KSNLIOPXYHXDIZ-IUXPMGMMSA-N 296.153 4.381 30 40 CIEB CCCOc1c(Cl)cc(C(C)(C)C)cc1C#N 225292153 VVCPJJHFWVUFIJ-UHFFFAOYSA-N 251.757 4.298 30 40 CIEB Cc1ccc(/N=C/c2ccc3c(c2)OCO3)cc1Cl 2160386 HBKFAZZGUWZLRS-CAOOACKPSA-N 273.719 4.128 30 40 CIEB Cc1cc(F)ccc1/N=C\c1cc(Cl)ccc1O 5289735 FKEHPNLXTDDAPD-IUXPMGMMSA-N 263.699 4.244 30 40 CIEB CN(C)c1ccc(/C=C/C(=O)c2cc3ccccc3o2)cc1 6341484 OFDCMBASBRDMBL-FMIVXFBMSA-N 291.350 4.395 30 40 CIEB C[C@@H](OC(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 12945257 OMEANISVNUUPBD-LLVKDONJSA-N 285.730 4.130 30 40 CIEB O=C(O)c1ccc(/N=C/c2c(Cl)cccc2Cl)cc1 16911526 BCCLSFSWWHQEFO-CAOOACKPSA-N 294.137 4.442 30 40 CIEB C#CCN(C(=O)c1ccc(C(C)C)cc1)C1CCCCC1 60163685 BCDGTQKKTAJUGM-UHFFFAOYSA-N 283.415 4.218 30 40 CIEB COc1cccc(/N=C\c2ccc3ccccc3c2O)c1 100248358 XLUDBBLEHQOISK-UNOMPAQXSA-N 277.323 4.305 30 40 CIEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(F)c(F)c1)C2 4828377 BVOHBSSSTNPXAP-PIGZYNQJSA-N 291.341 4.286 30 40 CIEB Cc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1C 5746851 UZYMENAISIQLNR-UHFFFAOYSA-N 284.746 4.081 30 40 CIEB C/C=C/c1ccc(OCc2ccc(C#N)cc2)c(OC)c1 14351460 ILIXDZPPBVTVAG-ONEGZZNKSA-N 279.339 4.179 30 40 CIEB Cc1ccc(C(=O)/C=C/Nc2ccccc2)cc1C 44843815 YZAMKJIIPNOKDF-ZHACJKMWSA-N 251.329 4.112 30 40 CIEB CC1(C)CC(=O)C=C(Sc2nc3ccccc3o2)C1 161334 IXNJYCJHWQGZIN-UHFFFAOYSA-N 273.357 4.193 30 40 CIEB CC1(C)CC(=O)C=C(Nc2ccc(C(F)(F)F)cc2)C1 6590246 JONROJOGCOJPHU-UHFFFAOYSA-N 283.293 4.390 30 40 CIEB O=C(/C=C/c1ccccc1F)c1ccccc1Cl 7718190 YRFSZKSPANDCEG-MDZDMXLPSA-N 260.695 4.375 30 40 CIEB N#C/N=C(/Nc1ccccc1F)SCc1ccccc1 13595978 MAOJBNSJVTTYHP-UHFFFAOYSA-N 285.347 4.008 30 40 CIEB CCCCCCCCOc1ccccc1C(=O)OC 45329451 PRDWTSMKTQTWLF-UHFFFAOYSA-N 264.365 4.213 30 40 CIEB O=C(/C=C/c1cccnc1)c1cc2cc(Cl)ccc2o1 57435408 VBUWGPMBYXCDDR-HWKANZROSA-N 283.714 4.377 30 40 CIEB N#Cc1ncc(-c2ccccc2)cc1-c1ccccc1 71256475 WPKRVQZIOJGKHY-UHFFFAOYSA-N 256.308 4.287 30 40 CIEB COc1cccc(/C=N/c2sc3c(c2C#N)CCCC3)c1 96429653 CXRJLOHRUCRPED-YBFXNURJSA-N 296.395 4.258 30 40 CIEB COc1cc(C)c(/C=N\c2cccc(C)c2)cc1OC 408549566 UVRSSRAJUFVWHF-WQRHYEAKSA-N 269.344 4.071 30 40 CIEB O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)F 575243045 OJHMBDLTIOONGZ-UHFFFAOYSA-N 292.125 4.172 30 40 CIEB C(=N/c1ccc2ncccc2c1)\c1c[nH]c2ccccc12 3154475 XIAPNANCCIEWTM-RGVLZGJSSA-N 271.323 4.467 30 40 CIEB CCCCCCCOc1ccc(/C=C/C(=O)O)cc1OC 3278402 XDGUJINJMPKTPO-PKNBQFBNSA-N 292.375 4.142 30 40 CIEB C=CCn1c(/C=C/c2ccccc2)nc2ccccc21 4032339 PSJBFJFJHQWDNF-OUKQBFOZSA-N 260.340 4.393 30 40 CIEB Clc1cnc(N/N=C/C=C/c2ccccc2)c(Cl)c1 8073716 VQPNGBVDHPGZFS-FLGOTCTISA-N 292.169 4.500 30 40 CIEB O=C1C(N2CCCCC2)=C(c2ccccc2)c2ccccc21 1699849 KEVRYYUMEJGNRZ-UHFFFAOYSA-N 289.378 4.128 30 40 CIEB CCCC/C=C1\CCc2c([nH]c3ccccc23)C1=O 6263926 HIRJGKQQMRYEBB-KPKJPENVSA-N 253.345 4.413 30 40 CIEB Cc1ccc(C#N)c(SC23CC4CC(CC(C4)C2)C3)n1 12320967 CGNGFDJMFLJKNG-UHFFFAOYSA-N 284.428 4.323 30 40 CIEB O=C(/C=C/c1ccc2ccccc2n1)c1ccccc1 36468598 MISUEOPRLQANBO-OUKQBFOZSA-N 259.308 4.131 30 40 CIEB CC(C)c1cccc(NC(=S)Nc2ccc(C#N)cc2)c1 71760698 MZRGBEFTOYUTBP-UHFFFAOYSA-N 295.411 4.491 30 40 CIEB CC(C)/C(=N\NCc1ccccc1Cl)c1ccccc1 408710570 JRJOJBSOWWSOQN-LVZFUZTISA-N 286.806 4.490 30 40 CIEB CC(=O)c1ccc(/N=C/c2c(C)[nH]c3ccccc23)cc1 96273 GWLSOALROLCITD-YBFXNURJSA-N 276.339 4.430 30 40 CIEB COc1ccc([C@@H]2CCC(c3ccccc3)=CC2=O)cc1 3194123 DJFJOUIGSVOMII-SFHVURJKSA-N 278.351 4.225 30 40 CIEB CCOc1ccc(/N=C/c2ccc(C)s2)c([N+](=O)[O-])c1 4977786 AFGYCXNSVFJLCM-OQLLNIDSSA-N 290.344 4.114 30 40 CIEB C[C@@H](Cc1cccs1)/N=C(\S)Nc1ccccc1 8687683 CYBCSVDRVUWPDN-NSHDSACASA-N 276.430 4.077 30 40 CIEB CCCCCCCNC1=CC(=O)C[C@@H](c2ccco2)C1 17440345 SUEFLJGSIPAUDW-AWEZNQCLSA-N 275.392 4.170 30 40 CIEB O=C1SC(c2ccccc2)=N/C1=C\c1ccccc1Cl 33691789 UTBHZDTXOJIKIY-UVTDQMKNSA-N 299.782 4.401 30 40 CIEB Cc1ccc(C/N=C\c2c(O)ccc3ccccc23)cc1 100248319 OGWZJSMNRSYXCM-MOSHPQCFSA-N 275.351 4.473 30 40 CIEB C(=N\c1ccc(/N=C\c2ccco2)cc1)\c1ccco1 101144797 ZEJSGZOZUFRALE-WHYMJUELSA-N 264.284 4.374 30 40 CIEB C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@@H]3C(=C)C[C@@]21C 256375396 DKRPZVPROVDZCP-DGGDGUMWSA-N 296.454 4.480 30 40 CIEB CCOc1ccc(/C=C/C(=O)c2ccccc2)c(OCC)c1 408622887 QCCQTZNEBGFGQH-ACCUITESSA-N 296.366 4.380 30 40 CIEB CC[C@@H](C)OCCC(F)(F)C(F)(F)C(F)(F)F 1772820738 JBQPDMOABVCEOX-ZCFIWIBFSA-N 270.188 4.025 30 40 CIEB C=C(C)C[C@H](NCc1ccco1)c1ccc(C)cc1 300133 KFBRGCKMQKZGPT-KRWDZBQOSA-N 255.361 4.385 30 40 CIEB O=C(/C=C/C(=O)c1ccc2ccccc2c1)c1ccccc1 3168027 WASIEUMBMRNMJW-OUKQBFOZSA-N 286.330 4.462 30 40 CIEB C=CCSc1ncc2c(n1)-c1cc(C)ccc1SC2 5747423 LMEMSETVLYPLED-UHFFFAOYSA-N 286.425 4.336 30 40 CIEB N#Cc1ccccc1CC(=O)c1ccccc1C(F)(F)F 2393056 MFZDCVQWJXWBJL-UHFFFAOYSA-N 289.256 4.002 30 40 CIEB Clc1ccc(CN/N=C/c2cccc(Cl)c2)cc1 10118823 DOOAUCDUQOKLFC-VCHYOVAHSA-N 279.170 4.117 30 40 CIEB O/C(Cn1ccc2ccccc21)=N\Cc1ccccc1Cl 32087801 NDJDNEBJSYYWAR-UHFFFAOYSA-N 298.773 4.451 30 40 CIEB O=C(/C=C\C=C/c1ccccc1)c1ccc(F)cc1 33376382 WRVMWLUMYZPQIR-XEQVNJCQSA-N 252.288 4.278 30 40 CIEB N#CCc1cc(Cl)c(Cl)c(C(F)(F)F)c1 98210869 PQMPMRZMPUAPCM-UHFFFAOYSA-N 254.038 4.078 30 40 CIEB Cc1c(/C=N\c2ccc(F)cc2)c2ccccc2n1C 408850297 KPUAUIOOYAIGKE-ODLFYWEKSA-N 266.319 4.376 30 40 CIEB Cc1ccc(/C=C/C(=O)/C=C/c2ccccc2)s1 495745 IGPKVNMKJCXWRO-CDKJVOIVSA-N 254.354 4.352 30 40 CIEB CCCCCCCC(=O)c1cc(OC)cc(OC)c1 101472661 IKPHRLBCZCIVSL-UHFFFAOYSA-N 264.365 4.247 30 40 CIEB Oc1ccc(/C(=N\c2ccccc2)c2ccccc2)c(O)c1 102876428 KRMPJSOYDZSBAC-VXPUYCOJSA-N 289.334 4.267 30 40 CIEB COc1ccccc1N1CCCS/C1=N/c1ccccc1 103046924 PJNXANUJCUVNDS-ISLYRVAYSA-N 298.411 4.326 30 40 CIEB C=C[C@@](C)(CCC=C(C)C)NC(=O)C(Cl)(Cl)Cl 2032287 OMJPNRPQUNHMOS-NSHDSACASA-N 298.641 4.164 30 40 CIEB Oc1ccc(Cl)cc1/C=N\OCc1cccc(Cl)c1 16951183 BIDGMQYVKKRUDT-IUXPMGMMSA-N 296.153 4.250 30 40 CIEB N#Cc1ccc(CC(=O)c2ccc(C(F)(F)F)cc2)cc1 43210753 HGNGJBPVDZSFMA-UHFFFAOYSA-N 289.256 4.002 30 40 CIEB Cc1ccc(Cl)cc1/N=C\c1ccc(N(C)C)cc1 104225478 CIJBINJIBVZCPA-WQRHYEAKSA-N 272.779 4.465 30 40 CIEB C=C(Cl)Cc1cc(F)c(Br)cc1F 953053639 UOSJDGJZIMNXDJ-UHFFFAOYSA-N 267.500 4.022 30 40 CIEB C[C@@H]1CCC/C(=C\Nc2cccc(C(F)(F)F)c2)C1=O 4675541 NPTWWLPYZPDBOX-OYVNLZQHSA-N 283.293 4.390 30 40 CIEB CCCCSCCSc1ccc(C#N)cc1[N+](=O)[O-] 6264512 TWWARGNVTWFSCY-UHFFFAOYSA-N 296.417 4.092 30 40 CIEB CC(C)=NNc1nc2c(Cl)c(Cl)ccc2s1 41107652 MJVUCEBFEVLOAI-UHFFFAOYSA-N 274.176 4.411 30 40 CIEB CCOc1cccc(/C=N/c2cccc3c2CCCC3)c1O 44835975 ZIBDAJYSXYKYBW-DEDYPNTBSA-N 295.382 4.420 30 40 CIEB O=C(/C=C/C=C/c1ccc([N+](=O)[O-])cc1)c1cccs1 51330172 NNGQILSGKJGQDS-GRSRPBPQSA-N 285.324 4.109 30 40 CIEB C#Cc1cccc(NC(=O)N[C@](C)(CC)c2ccccc2)c1 72271543 SZQGHHWEVVUMKY-LJQANCHMSA-N 292.382 4.115 30 40 CIEB Cc1cc(/C=N\c2ccc(Cl)cc2)cc(C)c1O 108325327 UJUUTDSBAIRUNO-MFOYZWKCSA-N 259.736 4.413 30 40 CIEB CC(C)(C)c1ccc(CON=C2CCSCC2)cc1 4106881 QKZIKPBOHKELOB-UHFFFAOYSA-N 277.433 4.384 30 40 CIEB CCOc1ccccc1/C=N/c1ccc(C)c(C)c1 5467003 UHYVHSDLALRWFN-LDADJPATSA-N 253.345 4.453 30 40 CIEB C=CCN(C(=O)c1ccc(Cl)cc1)c1ccccc1 16138304 HHALSFYWQQWQQX-UHFFFAOYSA-N 271.747 4.173 30 40 CIEB C(=N/c1ccccc1)\c1ccc(N2CCCCC2)cc1 195977944 ZOOJUZDDSSFPSE-XDJHFCHBSA-N 264.372 4.428 30 40 CIEB N#Cc1cccnc1Oc1ccc(Cl)cc1Cl 78904 JULSEOHOPLMPEW-UHFFFAOYSA-N 265.099 4.052 30 40 CIEB CCCCCCCNC(=O)c1ccc(Br)cc1 3040128 BOLALLXGHQXAHZ-UHFFFAOYSA-N 298.224 4.149 30 40 CIEB Cc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1Cl 35121109 RIPIRNYNVDFBQF-UHFFFAOYSA-N 285.734 4.164 30 40 CIEB CC(C)(C)c1ccc([C@@H](OC[C@@H]2CO2)C(F)(F)F)cc1 95096050 VIGKPLYJWOOPRX-QWHCGFSZSA-N 288.309 4.003 30 40 CIEB CC[C@H](C)C[C@@](C)(O)C#Cc1cccc(Cl)c1C 95631565 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UBBDDVLLRXIWEE-SJCJKPOMSA-N 293.757 4.165 30 40 CIEB Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1N 79064187 XXGNKVWIUWGEOH-UHFFFAOYSA-N 289.194 4.175 30 40 CIEB CCCC[C@H](CC)[C@H](O)C#Cc1cccc(C)c1C 95632023 JRTJIQBZGLYEMI-FUHWJXTLSA-N 258.405 4.232 30 40 CIEB O=C(/N=C\C(Cl)(Cl)Cl)Nc1ccc(Cl)cc1 104369729 IBRYJTXQTZVTGE-RZNTYIFUSA-N 299.972 4.313 30 40 CIEB COc1cc(C)c(/C=N\c2ccccc2C)cc1OC 408548036 CELKTUVFPMEWEV-WQRHYEAKSA-N 269.344 4.071 30 40 CIEB Cc1cc(N/C=C/C(=O)C(C)(C)C)ccc1Br 409099800 LRFZATKPHPUXMW-BQYQJAHWSA-N 296.208 4.298 30 40 CIEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1O 409202654 SOJRXAUYNVXEBV-RQZCQDPDSA-N 275.735 4.113 30 40 CIEB Cc1ccccc1CSc1nc2c(cc1C#N)CCC2 803765 XRGLCIORUMJDBM-UHFFFAOYSA-N 280.396 4.043 30 40 CIEB COc1ccnc(Nc2ccc(Cl)c(Cl)c2)c1C#N 1387801 HXKNXCJATFZGRM-UHFFFAOYSA-N 294.141 4.012 30 40 CIEB N#C[C@@]1(c2ccccc2)CCC[C@@]1(C#N)c1ccccc1 1707491 ITCMDGNDFRRZFI-RTBURBONSA-N 272.351 4.093 30 40 CIEB N#Cc1ccc(C(=O)Nc2ccc3sccc3c2)cc1 4134736 JPZOFRDYIDEFKP-UHFFFAOYSA-N 278.336 4.025 30 40 CIEB Cc1ccc(NC2=CC(=O)C[C@H](c3ccccc3)C2)cc1 6044374 PUULLVSJRVFHAN-MRXNPFEDSA-N 277.367 4.438 30 40 CIEB C=CCN(CC=C)Cc1c(C)nc2c(C)ccc(C)c2c1O 8717474 ITWHPHBCRYSGLP-UHFFFAOYSA-N 296.414 4.040 30 40 CIEB Clc1ccc(/C=N\N=C/c2ccc(Cl)cc2)cc1 16890934 FDHFFSOZYINJQR-XFQWXJFMSA-N 277.154 4.446 30 40 CIEB C1=C[N+](c2ccccc2)=C(/C=N/Cc2ccccc2)[CH-]S1 55180534 WGYQEQIUNBJYFF-XMHGGMMESA-N 292.407 4.422 30 40 CIEB CCCc1cc(C)cc(/N=C\c2ccccc2)c1O 104149922 MOJVWASFGTVFKG-PDGQHHTCSA-N 253.345 4.404 30 40 CIEB CCOc1ccccc1/N=C\c1cc(C)c(O)c(C)c1 109386687 FAADFIFZPRMHQB-WQRHYEAKSA-N 269.344 4.158 30 40 CIEB O=C(/C=C/NCc1ccccc1)c1cccc2ccccc12 198077406 YPGIXGIKZBYRNE-BUHFOSPRSA-N 287.362 4.326 30 40 CIEB C(=N/c1nc2c(s1)-c1ccccc1CC2)\c1ccco1 408723057 PZNTYLIKHZVXPC-LICLKQGHSA-N 280.352 4.252 30 40 CIEB CCn1c(C)cc(/C=N\c2ccc(C)cc2C)c1C 409070117 KPJGBTIHCMPDRC-WQRHYEAKSA-N 254.377 4.492 30 40 CIEB C=CCc1cc(CNc2ccccc2)cc(OC)c1OC 409111879 DRBCLGBPDVLMIQ-UHFFFAOYSA-N 283.371 4.044 30 40 CIEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccccc1C)C2 1448405 FTNDJLKFMKGSKT-RDTXWAMCSA-N 269.388 4.316 30 40 CIEB O=C(/C=C/c1c(F)cccc1Cl)c1ccc(O)cc1 5071941 UYFBYCDIONYXGW-CMDGGOBGSA-N 276.694 4.081 30 40 CIEB Oc1ccc(Cl)cc1/C=N/c1ccc2ncccc2c1 13208188 CFOTYMACAIVSFI-VXLYETTFSA-N 282.730 4.344 30 40 CIEB C/C(=C/C(=O)c1ccccc1)Nc1ccc(C)cc1 13940627 BABYPXFXJOEQKM-OWBHPGMISA-N 251.329 4.194 30 40 CIEB O=C(/C=C1\N=CNc2ccccc21)c1cccc(Cl)c1 18090935 KOUDMMBWASBBDW-DHDCSXOGSA-N 282.730 4.018 30 40 CIEB CCCCCCCCCCCCCCCC(=O)[C@@H](N)CO 56870932 KBUNOSOGGAARKZ-KRWDZBQOSA-N 299.499 4.356 30 40 CIEB endogenous,in-man CCCCCC[C@](C)(O)C#Cc1ccc(OCC)cc1 95632086 XIGQAESINRBOJX-SFHVURJKSA-N 274.404 4.158 30 40 CIEB COc1cc(/C=N/c2ccc(C)cc2C)cc(OC)c1OC 62369 FWXCLYSEGHEUSU-YBFXNURJSA-N 299.370 4.080 30 40 CIEB Cc1cc(C)c(O)c(/N=C/C=C/c2ccccc2[N+](=O)[O-])c1 2875071 WZMNOQYQLPLGNZ-JXGVBEJFSA-N 296.326 4.333 30 40 CIEB CCOP(=O)(Cc1oc(C(C)(C)C)cc1C#N)OCC 6656253 NYTHEMXMFUITCH-UHFFFAOYSA-N 299.307 4.215 30 40 CIEB CC(C)/C(=N\c1ccc(Cl)c(Cl)c1)N(C)C 16989779 MKSBAFUUOBPPCX-NTCAYCPXSA-N 259.180 4.241 30 40 CIEB C=C(Br)Cc1cccc(O[C@@H]2CCCCO2)c1 85650724 KLWJSMBKFMWXJZ-CQSZACIVSA-N 297.192 4.043 30 40 CIEB CC(=O)N(/C=N/c1ccccc1C)c1ccccc1C 100069225 ABZGGRYQXOVYRJ-LDADJPATSA-N 266.344 4.016 30 40 CIEB N#Cc1cc(-c2ccccc2)oc1NC(=O)c1cccs1 119412 SEZDXZSLKZGQQV-UHFFFAOYSA-N 294.335 4.132 30 40 CIEB O=C(Nc1ccccc1)c1ccccc1/N=C/c1ccc[nH]1 273795 SJARTKRYVIBKMQ-DEDYPNTBSA-N 289.338 4.018 30 40 CIEB Cc1cc(Oc2cccc(C#N)c2C#N)ccc1Cl 482205 PRAFUASXPMGAKL-UHFFFAOYSA-N 268.703 4.184 30 40 CIEB CCCCCCCCCC1=NC(C)(C)CN1C[C@H](C)O 1768305 IGJHPQLFRMJXQK-HNNXBMFYSA-N 282.472 4.001 30 40 CIEB O=[N+]([O-])c1cccc(/C=N/c2cccc3ccccc23)c1 12360352 JUXJDDYMZYDNJW-LDADJPATSA-N 276.295 4.499 30 40 CIEB S=c1[nH]c(-c2ccccc2)cn1/N=C/c1cccs1 13282058 IEXVIZYMDZIMLI-OQLLNIDSSA-N 285.397 4.156 30 40 CIEB CN(C)c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 19901117 KZWPUEDQWQYKCA-UHFFFAOYSA-N 299.377 4.353 30 40 CIEB O=[N+]([O-])c1ccc(/C=N/Nc2ccc3ccccc3c2)cc1 33510593 DKCVYNSCSVFZSG-LDADJPATSA-N 291.310 4.194 30 40 CIEB N#CC1(c2cccc(Br)c2)CCCCC1 37382594 BXJHSEZUMMHRIJ-UHFFFAOYSA-N 264.166 4.175 30 40 CIEB C/C(=N\Nc1ccc(Cl)c(Cl)c1)c1ccc[nH]1 57428102 BUQDBRYFNAADCQ-LZYBPNLTSA-N 268.147 4.158 30 40 CIEB CCCSc1nc(Cl)c(C#N)c(-c2cccs2)n1 3649557 ZHFMKUAUODJJRC-UHFFFAOYSA-N 295.820 4.232 30 40 CIEB Cc1ccc(O)c(/C=N/c2cccc(NC(=O)C(C)C)c2)c1 5961209 AXYIQKYRGUYKSR-YBFXNURJSA-N 296.370 4.046 30 40 CIEB Cc1cc(O)c(C(C)C)cc1/N=C/c1ccccc1[N+](=O)[O-] 17288792 HKNXEPCUZAGUHS-VCHYOVAHSA-N 298.342 4.483 30 40 CIEB Cc1ccc(-c2cc(-c3cccs3)c(C#N)c(N)n2)cc1 19857350 TZFJLFDMWYISAT-UHFFFAOYSA-N 291.379 4.239 30 40 CIEB CC(=O)/C=C/c1ccc(OCc2ccccc2C)cc1 62153324 CYCQQWSWKLUWQR-BQYQJAHWSA-N 266.340 4.176 30 40 CIEB Oc1cccc(/C=N/N=C2c3ccccc3-c3ccccc32)c1 1710156 HJJIMFQJQQOUHR-FYJGNVAPSA-N 298.345 4.244 30 40 CIEB C/C(=N\Nc1cccc(C)c1)c1ccc(-n2ccnc2)cc1 4863989 WHFHTGPMJGBPDR-HMMYKYKNSA-N 290.370 4.017 30 40 CIEB Cc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(C)c1O 5128617 RGSIGQQHMBKCKZ-FPYGCLRLSA-N 270.303 4.044 30 40 CIEB CC[C@H]1/C(=N/O)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 5247748 KELKCHCDSYUMCO-BVEHLZJYSA-N 294.398 4.319 30 40 CIEB CCOc1cc(C#N)ccc1OCc1ccccc1Cl 5953518 YUJHFPBNGKJVBT-UHFFFAOYSA-N 287.746 4.189 30 40 CIEB CCCCCCCCCNc1ncnc2[nH]ccc12 8214627 SAZVHJCXDDFMOS-UHFFFAOYSA-N 260.385 4.120 30 40 CIEB in-man C=CCOc1ccc(/C=N/c2ccccc2C)cc1 8570902 IYLCDPNJRJDYPW-QGOAFFKASA-N 251.329 4.310 30 40 CIEB N#Cc1ccc(NC(=S)Nc2ccccc2)cc1Cl 16490004 MMDDWLCXVFPXGO-UHFFFAOYSA-N 287.775 4.021 30 40 CIEB COc1ccc(C(=O)/C=C\c2ccccc2Cl)cc1 17146635 DGBWMHMJGJSEOH-FLIBITNWSA-N 272.731 4.245 30 40 CIEB CC1(C)C[C@]2(O[C@@H]2c2ccccc2)C(=O)c2ccccc21 1761154 DBSWOIVXLYIEDN-MJGOQNOKSA-N 278.351 4.061 30 40 CIEB C[C@@H](Nc1ccc(C#N)cn1)c1ccc2c(c1)CCCC2 12901583 RYMPOOJFYYDZRN-CYBMUJFWSA-N 277.371 4.005 30 40 CIEB CN(C)c1ccc(/N=C(\C#N)c2ccc(Cl)cc2)cc1 16927712 CPOBERAZVMTQBS-KNTRCKAVSA-N 283.762 4.050 30 40 CIEB N#Cc1c(Cl)nc(-c2ccccc2Cl)c2c1CCC2 49886637 YSVLKWUESQPREA-UHFFFAOYSA-N 289.165 4.416 30 40 CIEB CCOc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1O 72332971 LOEIAXUAIKJWSK-ZHACJKMWSA-N 296.366 4.304 30 40 CIEB CCO[C@@H](C)OCC#Cc1ccc(-c2ccccc2)cc1 95632809 WOPQAKZIXODJHY-MRXNPFEDSA-N 280.367 4.104 30 40 CIEB CC[C@@H](C)C[C@](C)(O)C#Cc1ccc(Cl)cc1C 95633407 YTERWNQETMVFDX-MLGOLLRUSA-N 264.796 4.187 30 40 CIEB N#CCN(c1ccccc1)c1ccc(Br)cc1 95915773 ZHSIKCJQJVFLOD-UHFFFAOYSA-N 287.160 4.111 30 40 CIEB C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530128 QAFBNSWDAGQWLF-UHFFFAOYSA-N 296.079 4.276 30 40 CIEB N#Cc1ccc(/C=N/c2ccc(Br)cc2)cc1 282470 NTQLGAMAYGGBLZ-LICLKQGHSA-N 285.144 4.071 30 40 CIEB Nc1ccccc1SC(F)(F)C(F)(F)C(F)(F)F 2566906 XDXZADDGIVDJFS-UHFFFAOYSA-N 293.207 4.151 30 40 CIEB CCC(=CCC1=C(O)C(=O)c2ccccc2C1=O)CC 4963505 IPOALYXIAAXFMI-UHFFFAOYSA-N 270.328 4.014 30 40 CIEB N#Cc1cccc(/C=C/C(=O)c2ccc(OC(F)F)cc2)c1 12817994 WBHSVNRVZQJFGK-RUDMXATFSA-N 299.276 4.056 30 40 CIEB Cc1ccc(/C=N/c2sc3c(c2C#N)CCC3)s1 13114172 ZRPHFROSTQNOPF-LZYBPNLTSA-N 272.398 4.229 30 40 CIEB N#Cc1cc(N)ccc1Nc1cc(Cl)cc(Cl)c1 41020539 CSQRDYOGIDTZGZ-UHFFFAOYSA-N 278.142 4.191 30 40 CIEB CC(C)=CC(=O)c1ccc(Br)cc1Cl 169151970 RLZQVPDTBOCRLA-UHFFFAOYSA-N 273.557 4.251 30 40 CIEB Cc1ccc(/N=C/c2c(O)ccc3ccccc23)c(O)c1 409056809 IYBAZCAWENEANL-YBFXNURJSA-N 277.323 4.310 30 40 CIEB Cc1ccc(C(=O)O/N=C2\C[C@H]3CC[C@]2(C)C3(C)C)cc1 4505772 NXAITCVPAUWQJG-NTSHNEJPSA-N 285.387 4.354 30 40 CIEB CC[C@@H](C)c1ccc(NC(=O)c2ccc(C#N)cc2F)cc1 14258144 NQMBBWZSXIMVSA-GFCCVEGCSA-N 296.345 4.463 30 40 CIEB CCCN(CC#Cc1cc(C)c(C)cc1C)CCC 95633893 QXKMZWMJDVMHFJ-UHFFFAOYSA-N 257.421 4.085 30 40 CIEB Cc1ccccc1COc1ccc(/C=N\O)cc1Cl 216811365 KLXHGFPBNLOTAZ-MFOYZWKCSA-N 275.735 4.036 30 40 CIEB N#CC1(c2cc3ccccc3cc2Br)CC1 575629511 ZCHMRNRFTRBNFE-UHFFFAOYSA-N 272.145 4.157 30 40 CIEB Cc1ccc([N+](=O)[O-])cc1/N=C/c1c(C)[nH]c2ccccc12 297734 UZDKLADAYVNRCM-VCHYOVAHSA-N 293.326 4.444 30 40 CIEB C=CCc1cc(C=O)cc(OC)c1OCc1ccc(C)cc1 5698728 PWPRAOHSLCDSAX-UHFFFAOYSA-N 296.366 4.124 30 40 CIEB Cc1cccc(-c2nc3ccccc3c(C)c2C#N)c1 15453923 JLXFBEXMEMZHPN-UHFFFAOYSA-N 258.324 4.390 30 40 CIEB CCOc1ccc(/N=C/C=C/c2ccccc2)c(O)c1 100344893 NZQXFWBMKVCOLP-PXYULHTISA-N 267.328 4.207 30 40 CIEB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC/C2=N\O 105365227 XLJMBRPBVDJBPJ-PPVXBQRXSA-N 285.387 4.079 30 40 CIEB Cc1scnc1C(C#N)(c1ccccc1)c1ccccc1 4429968 YSRSDZZYKLSIJT-UHFFFAOYSA-N 290.391 4.310 30 40 CIEB C=CCc1cc2c(cc1[C@@H](C)c1ccc(OC)cc1)OCO2 6437397 FLLZPOLJSBLPEW-ZDUSSCGKSA-N 296.366 4.304 30 40 CIEB CCCCCCOc1c(Cl)cc(/C=N\O)cc1OC 11833648 ICKSGTVYCIUYGB-YBEGLDIGSA-N 285.771 4.116 30 40 CIEB N#Cc1ccc(NCC(c2ccccc2)c2ccccc2)nc1 13002379 QWICDZRLTKPHLR-UHFFFAOYSA-N 299.377 4.197 30 40 CIEB O=C(/C=C/c1ccc2ccccc2c1)c1cccc(O)c1 23165205 UNPATYMTUAXVCJ-PKNBQFBNSA-N 274.319 4.442 30 40 CIEB CCc1ccc(O)c(/N=C/c2ccc(Cl)cc2)c1 98086930 UOHDYFSTXPVGCW-LICLKQGHSA-N 259.736 4.359 30 40 CIEB CN1/C(=C/C(=O)CC(C)(C)C)Sc2ccccc21 132574 VKEOMMXDGQCQHJ-ZROIWOOFSA-N 261.390 4.075 30 40 CIEB Cc1cc(O)c(/C=N/c2ccccc2O)c(C)c1Cl 226375 GQUXVBSWAKPKAF-CAOOACKPSA-N 275.735 4.119 30 40 CIEB CN(C)CCC(/C=C/c1ccccc1)=N\Nc1ccccc1 5888786 DLRHMSSHHRHVEG-JESFMSRLSA-N 293.414 4.120 30 40 CIEB C=CCCC[C@@H](C)Sc1nccc(C(F)(F)F)n1 95460222 USNYERPDMYLKMP-SECBINFHSA-N 276.327 4.332 30 40 CIEB CCO/C=N/c1ccc(Cl)c(C(F)(F)F)c1 255187009 AQJGMIMRVPACBM-GIDUJCDVSA-N 251.635 4.055 30 40 CIEB O=[N+]([O-])c1cc(/C=N/c2cccc(F)c2)ccc1Cl 409105476 KIOXKHSQKHQMSL-LZYBPNLTSA-N 278.670 4.138 30 40 CIEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccccc1OC)C2 468188 TZVXTLOOGJXPLY-FZKQIMNGSA-N 285.387 4.016 30 40 CIEB CCO[P@@](=O)(C#CC(C)(C)C)[C@](C)(O)c1ccccc1 2318985 NMGFULLYWKQAOP-JXFKEZNVSA-N 294.331 4.173 30 40 CIEB Cl/N=C(\Nc1ccccc1)c1ccccc1Cl 5338357 KWOOEEXHRSPVTB-UHFFFAOYSA-N 265.143 4.353 30 40 CIEB CC/C(=N/N=C(/CC)c1ccccc1O)c1ccccc1O 5459106 VPFUDKUZTSIJRY-IKBKFCNISA-N 296.370 4.111 30 40 CIEB C[C@@H](Cc1cccs1)/N=C(/S)Nc1ccc(F)cc1 8692010 HDHWHRUHESYHRE-JTQLQIEISA-N 294.420 4.216 30 40 CIEB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\O 12657941 XLJMBRPBVDJBPJ-VPRXWXRSSA-N 285.387 4.079 30 40 CIEB N#C[C@H]1C[C@H](c2ccccc2)Nc2cc(Cl)ccc2N1 1578800 JUEAFDHIWLJVJJ-UKRRQHHQSA-N 283.762 4.201 30 40 CIEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1O 76274728 NCMDLGVNPSQSFH-UHFFFAOYSA-N 297.398 4.358 30 40 CIEB CCCCCC[C@@](C)(O)C#Cc1cccc(Cl)c1 95631789 FAMDBYDGCSEMLH-MRXNPFEDSA-N 264.796 4.413 30 40 CIEB CCCCCCCCCCCC1=N[C@@](C)(CO)CO1 1759107 JMQRHKPPXPCTGP-INIZCTEOSA-N 269.429 4.087 30 40 CIEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1O 8368491 SPAXGTJUAXBOGZ-GIJQJNRQSA-N 289.762 4.422 30 40 CIEB CCCCCCC(=O)/C=C\c1ccc(OC)c(OC)c1 17105365 GQYSDUVYEZEGDG-LUAWRHEFSA-N 276.376 4.257 30 40 CIEB Cc1cc2c(cc1C)/C(=N/c1ccccc1F)NC(C)(C)C2 49757611 PNBOKMTVENOEEQ-UHFFFAOYSA-N 296.389 4.445 30 40 CIEB O/N=C\c1ccc(OCc2cccc3ccccc23)cc1 100250144 XCVDLAKUWFBXFF-UNOMPAQXSA-N 277.323 4.227 30 40 CIEB C=C(C)C(=O)OCCCCCCCCCCS 142447675 GPEZMHDRNRAYHT-UHFFFAOYSA-N 258.427 4.156 30 40 CIEB N#Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 303983 GANUSPCCFORCNB-UHFFFAOYSA-N 291.137 4.117 30 40 CIEB CCOC(=O)[C@@H](C#N)C1(Cc2ccc(C)cc2)CCCCC1 523548 BITICULAPVWRKE-QGZVFWFLSA-N 299.414 4.191 30 40 CIEB C/C(=C\C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C 5337860 RZULMIPVSTVSNY-ACCUITESSA-N 296.326 4.102 30 40 CIEB Cc1ccc(C(=O)/C=C/Nc2cccc(Cl)c2)cc1 16291724 HXDPFVBTXKQANE-MDZDMXLPSA-N 271.747 4.457 30 40 CIEB C[Si](C)(C)C#CSc1c(F)c(F)c(F)c(F)c1F 195785350 QEVLNSQQGKAJKV-UHFFFAOYSA-N 296.336 4.313 30 40 CIEB CC1(C)C[C@H]([C@H](CC#N)c2ccc(F)cc2)CCO1 171697 DIWYBBYYGVJQJO-UKRRQHHQSA-N 261.340 4.028 30 40 CIEB CCCCCCCCCCCC1=N[C@](C)(CO)CO1 2004228 JMQRHKPPXPCTGP-MRXNPFEDSA-N 269.429 4.087 30 40 CIEB N#Cc1cccc(CC(=O)c2cccc(C(F)(F)F)c2)c1 2393062 MOFDISBHGFDUGF-UHFFFAOYSA-N 289.256 4.002 30 40 CIEB CCOc1ccc(/C=N/c2ccc(C)cc2C)cc1 3110102 DSVXKWGOEVCLDC-LDADJPATSA-N 253.345 4.453 30 40 CIEB C(=N\N1CCCCCC1)\c1cccc2ccccc12 4914698 ZXQVDYNHBXONJB-JXAWBTAJSA-N 252.361 4.050 30 40 CIEB CCOc1ccccc1/N=C1\SCCN1c1ccccc1 6831791 LUGOKYWMOLYBJC-ZCXUNETKSA-N 298.411 4.326 30 40 CIEB N#Cc1ccc(CSc2nc3ccccc3[nH]2)c(Cl)c1 16525104 HGVRSOKPAWXXCG-UHFFFAOYSA-N 299.786 4.380 30 40 CIEB N#Cc1ccc(Sc2ccc3ccccc3c2)nc1 35122056 ZBVFHKIGERVADF-UHFFFAOYSA-N 262.337 4.258 30 40 CIEB CC(C)c1ccccc1-n1ccnc1SCCCC#N 40024301 YAICTYQBIRZDAU-UHFFFAOYSA-N 285.416 4.392 30 40 CIEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(Cl)cn1)C2 488352 PZHJHTSFTIEPIF-BDJLRTHQSA-N 290.794 4.056 30 40 CIEB Oc1ccc(Cl)cc1/C=N/OCc1cccc(Cl)c1 1719634 BIDGMQYVKKRUDT-CAOOACKPSA-N 296.153 4.250 30 40 CIEB C#CCOc1ccc(Cl)cc1/C=N/c1ccccc1 6295401 BKFFAOXLUFMBEC-LDADJPATSA-N 269.731 4.103 30 40 CIEB Cc1c(Cl)cccc1N/C=C1\CCCCCC1=O 33715111 PGXBFJZKSYPAGO-ZRDIBKRKSA-N 263.768 4.477 30 40 CIEB CCCCCCCCCCCC(=O)NC[C@@H]1CCCO1 108683765 UFVJAULSMBCAEQ-INIZCTEOSA-N 283.456 4.203 30 40 CIEB CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C 263593610 BLGNCYFCLKRFPN-VNTMZGSJSA-N 296.410 4.174 30 40 CIEB Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(F)cc1 408961014 PTWOPZYQWJMKLI-DEDYPNTBSA-N 282.362 4.485 30 40 CIEB Cc1c(Cl)cccc1/N=C/c1cccc([N+](=O)[O-])c1O 409116059 LLNXKVURBYRSIM-LZYBPNLTSA-N 290.706 4.013 30 40 CIEB Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1ccccn1 409229723 UECMSFLLYQOTKW-CIAFOILYSA-N 293.345 4.379 30 40 CIEB C=C(C)CCc1c(F)cc(Br)cc1F 1848444287 ZMMDJAHRQBZXPE-UHFFFAOYSA-N 261.109 4.236 30 40 CIEB Cc1cc(C)c(C#N)c(S[C@@H](C)c2ccccc2)n1 5642097 MMWDSBSQKRIOJX-ZDUSSCGKSA-N 268.385 4.423 30 40 CIEB C/C(=N\Nc1cccc2ccccc12)c1ccccn1 16939596 FLWAWARDWGNQKV-CPNJWEJPSA-N 261.328 4.071 30 40 CIEB O=C(C=C1SCCCCS1)/C=C/c1ccccc1 68590759 UXTQTYFNWCAPPE-CMDGGOBGSA-N 276.426 4.371 30 40 CIEB C=C(Br)Cc1ccc(Cl)cc1Cl 71795091 UHCUFBSICMCCSK-UHFFFAOYSA-N 265.965 4.445 30 40 CIEB C=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 79272847 TZMIOVLJHRHMEY-UHFFFAOYSA-N 296.079 4.276 30 40 CIEB C[C@@H]1CCc2c(c(-c3ccccc3)[nH]c(=S)c2C#N)C1 170622682 VKRJZTWRPKCTDI-LLVKDONJSA-N 280.396 4.408 30 40 CIEB N#Cc1ccc2oc(-c3cccc(Cl)c3)nc2c1 216838104 MKDRSCTTXGSWSJ-UHFFFAOYSA-N 254.676 4.020 30 40 CIEB N#Cc1c(N=Cc2ccc(F)cc2)sc2c1CCCC2 245229154 OTMIDVSQULPYLT-UHFFFAOYSA-N 284.359 4.388 30 40 CIEB Cc1cc(/C=N\c2ccc(C#N)cc2)ccc1N1CCCC1 408851651 FFVCIQLMURMXEC-STZFKDTASA-N 289.382 4.218 30 40 CIEB COc1cccc(/C=N/Cc2ccccc2)c1OC(C)C 409011117 MFGQMKGLRZFPBQ-CPNJWEJPSA-N 283.371 4.102 30 40 CIEB CCOc1ccc2c(c1)S/C(=C\c1ccccc1)C2=O 4471187 ALINTQXNCDASEB-YBEGLDIGSA-N 282.364 4.415 30 40 CIEB C[C@H](NCC#Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 8497283 SYVOPOSGGMKXOT-DPYIETLKSA-N 293.454 4.233 30 40 CIEB Cc1ccc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)cc1 34954001 FAQHFZDRLAKEOB-UHFFFAOYSA-N 299.377 4.486 30 40 CIEB N#Cc1cccc(/C=C/C(=O)c2ccc(F)c(Cl)c2)c1 40140035 WQMWPVSBPVGFST-QPJJXVBHSA-N 285.705 4.247 30 40 CIEB CCCC[C@H](CC)[C@H](O)C#Cc1ccc(C)c(C)c1 95633601 WWRWSEWYNIUGND-ZWKOTPCHSA-N 258.405 4.232 30 40 CIEB CCCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](CC)C2 2092829 BOQWEAXLDHAAHB-LLVKDONJSA-N 290.432 4.263 30 40 CIEB C=CCCCCCCCCC(=O)NCc1ccco1 2238072 UBPUTRWCJZBZOV-UHFFFAOYSA-N 263.381 4.203 30 40 CIEB Cc1cc(N/C=C\C(=O)c2ccc(Cl)c(Cl)c2)on1 8301611 KYFLAFDXFBMGAI-PLNGDYQASA-N 297.141 4.098 30 40 CIEB N#Cc1ccc(NCc2ccccc2F)cc1C(F)(F)F 37306394 DCWPFBVQFIQMNV-UHFFFAOYSA-N 294.251 4.328 30 40 CIEB CCC[C@@H](C=O)CCC(=O)c1ccc(Br)cc1 2269902 RHQDQKFETGKGBL-LLVKDONJSA-N 297.192 4.027 30 40 CIEB CCCCC(=O)Nc1cccc(/N=C/c2ccccc2O)c1 6396845 NCVDXTVDZBBINW-CPNJWEJPSA-N 296.370 4.272 30 40 CIEB Cc1ccc(COc2ccc(/C=N\O)cc2Cl)cc1 216811423 NNTSRKHICUCXNH-MFOYZWKCSA-N 275.735 4.036 30 40 CIEB Cc1ccc(Oc2c(N)cc(C#N)n2C2CCCC2)cc1 225880483 MJMXFXUDUDZTJP-UHFFFAOYSA-N 281.359 4.158 30 40 CIEB C(=N\C1CCCCC1)\c1cccn1-c1ccccc1 408849101 VDIZKZQMVOEKKI-JXAWBTAJSA-N 252.361 4.229 30 40 CIEB CCN(CC)C(C)(C)C(=O)/C=C/c1ccc(Cl)cc1 1591438 JGRBXLKKQUMTSQ-FMIVXFBMSA-N 279.811 4.043 30 40 CIEB CC(Nc1ccc(C)cc1C)=C1C(=O)c2ccccc2C1=O 2561681 LYERAPKSPCQORH-UHFFFAOYSA-N 291.350 4.069 30 40 CIEB COc1ccc([C@@H](c2ccccc2)C(CC#N)CC#N)cc1 5640111 RLGQCUBXTTYEJN-LJQANCHMSA-N 290.366 4.271 30 40 CIEB Cc1[nH]c2ccccc2c1C(=O)/C=C/c1ccccc1O 5810734 BIMDLCULOMFPAJ-ZHACJKMWSA-N 277.323 4.078 30 40 CIEB N#CCc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 8125727 GYZVZTOINWBCCN-JXMROGBWSA-N 296.757 4.058 30 40 CIEB COc1ccc(/C=C2/CCCc3ccccc3C2=O)cc1 12368731 RVHBOFDLRWNNMW-SSZFMOIBSA-N 278.351 4.298 30 40 CIEB Oc1cccc2c1CC/C2=N\Nc1cccc2c1CCCC2 95364744 XGQGVRKHYOAPGC-DYTRJAOYSA-N 292.382 4.033 30 40 CIEB C=C(Br)Cc1ccc(CC(C)C)cc1 95731206 LEZRYHCAVIEHLU-UHFFFAOYSA-N 253.183 4.336 30 40 CIEB C=CCOc1ccc(CNc2cccc(C)c2)cc1OC 237277997 CZSQHYIPGBBVLE-UHFFFAOYSA-N 283.371 4.181 30 40 CIEB C=CCCC(=O)c1ccccc1OC(F)(F)C(F)F 575361294 WWKFVHAQFYCPOP-UHFFFAOYSA-N 276.229 4.072 30 40 CIEB C=CCCC[C@]1(c2ccccc2)C(=O)Oc2ccccc21 1575940 CRRREAYCSHGOKI-LJQANCHMSA-N 278.351 4.248 30 40 CIEB C=CCc1ccc(OC(=O)Nc2ccccc2)c(OC)c1 1738585 RZWNJLUZXLZMRS-UHFFFAOYSA-N 283.327 4.035 30 40 CIEB N#Cc1sc2ccccc2c1OCc1ccccc1 4060186 JFVBGKVSDFFIJR-UHFFFAOYSA-N 265.337 4.352 30 40 CIEB CCC(/C=C/c1ccccc1)=N/Nc1ccc([N+](=O)[O-])cc1 5633717 SVJRYYWKSVNQLJ-KRTQKBBRSA-N 295.342 4.486 30 40 CIEB N#C[C@]1(c2nc3ccccc3[nH]2)C[C@H]1c1ccc(Cl)cc1 6694767 PCVKOQHRZTUEFR-SUMWQHHRSA-N 293.757 4.165 30 40 CIEB N#Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 11862011 NKMFKPJYTINHDM-UHFFFAOYSA-N 278.138 4.444 30 40 CIEB CC1(C)OC(=C/C=N/c2ccc(Cl)cc2)OC1(C)C 18115388 JHLMJDYXOXCYRG-LICLKQGHSA-N 279.767 4.488 30 40 CIEB C/C(=C\C(=O)c1ccccc1)N[C@H](C)c1ccccc1 33843737 CMYSYFXOFMWQIA-SZGUKTLCSA-N 265.356 4.124 30 40 CIEB CCCCCC[C@](C)(O)C#Cc1cc(F)cc(F)c1 95631908 JTEWKZUALACUKA-INIZCTEOSA-N 266.331 4.038 30 40 CIEB CC[C@H](C(=O)c1ccc(C#N)c(F)c1)c1ccccc1 575361872 QCSPFJIMRBWDEN-HNNXBMFYSA-N 267.303 4.074 30 40 CIEB CCCCCCCCCCCC1=N[C@](CC)(CO)CO1 2046625 VBFBQEURBQANIX-QGZVFWFLSA-N 283.456 4.477 30 40 CIEB C/C(=N\Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 4922737 LIOFLKKQLHODQS-GZTJUZNOSA-N 295.298 4.177 30 40 CIEB O=C(/C=C\c1cccc(Br)c1)c1ccccc1 8653269 COYCXICZZVMYLE-KTKRTIGZSA-N 287.156 4.345 30 40 CIEB CCO/N=C/c1c(-c2ccccc2)[nH]c2ccccc12 17696043 LBXQFIHBVABJTB-LDADJPATSA-N 264.328 4.205 30 40 CIEB CCCC[C@@H](CC)[C@@H](O)C#Cc1ccc(Cl)c(F)c1 95633366 REIYEFWLIIXDHJ-CJNGLKHVSA-N 282.786 4.408 30 40 CIEB C[C@](O)(C#Cc1ccc(Cl)c(Cl)c1)c1ccccc1 95633482 HKXMHSBMYJSAML-INIZCTEOSA-N 291.177 4.253 30 40 CIEB N#CC1(c2cccc3cccc(Br)c23)CC1 261220188 KVPNHVPIUWKTMK-UHFFFAOYSA-N 272.145 4.157 30 40 CIEB C/C(=N\NCc1ccccc1Cl)c1ccc(C)cc1C 408710637 TWCWXVQYWMFPIO-XSFVSMFZSA-N 286.806 4.471 30 40 CIEB C=CCOc1cccc(CNc2ccc(C)c(C)c2)c1 409117687 PYMXQRPYDCMCEJ-UHFFFAOYSA-N 267.372 4.480 30 40 CIEB Cn1c2ccccc2n2c3ccccc3c(=S)c(C#N)c12 162492 HKUHHLUMELAXPT-UHFFFAOYSA-N 289.363 4.185 30 40 CIEB COC(=O)c1ccc(/N=C/c2c(C)[nH]c3ccccc23)cc1 358027 FRAXZTYPLWSRLD-YBFXNURJSA-N 292.338 4.014 30 40 CIEB O=C(/N=C/C(Cl)(Cl)Cl)Nc1ccc(Cl)cc1 17311063 IBRYJTXQTZVTGE-LHHJGKSTSA-N 299.972 4.313 30 40 CIEB N#CCCCCCOc1cc(Cl)cc(Cl)c1 95734160 WPOYWGARMHHNOV-UHFFFAOYSA-N 258.148 4.456 30 40 CIEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)Nc1cccc(C(C)=O)c1)C2 100255527 ILQSEBPZWDXUTJ-BEFAXECRSA-N 297.398 4.210 30 40 CIEB O=C1C=C/C(=N/c2ccc3c(c2)Cc2cc(Cl)ccc2-3)O1 104261270 DHPUVLVCNWJCTG-MNDPQUGUSA-N 295.725 4.054 30 40 CIEB CC(C)(C)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2O)cc1 117611708 JDILKEADHYVTQD-WQRHYEAKSA-N 298.342 4.349 30 40 CIEB Cc1ccc(C(=O)n2cc(C#N)c3ccccc32)cc1Cl 226361725 SYEQCXPCTFDGNC-UHFFFAOYSA-N 294.741 4.163 30 40 CIEB Cc1cccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1 297534 ZAKLRYFCMBZPJS-CXUHLZMHSA-N 274.707 4.307 30 40 CIEB N#Cc1c(Cl)nsc1-c1ccc(C(F)(F)F)cc1 2577533 KZRDXXSJKVJZQO-UHFFFAOYSA-N 288.681 4.354 30 40 CIEB Cc1cccc(N/C=C/C(=O)c2ccc(F)cc2)c1C 2792609 FOXDWLAEBUNWQJ-ZHACJKMWSA-N 269.319 4.251 30 40 CIEB Cc1cc(C)c(C=C2C(=O)c3ccccc3C2=O)c(C)c1 3184288 LUUDVOUVXRDDEC-UHFFFAOYSA-N 276.335 4.074 30 40 CIEB Cc1cc(C)c(C(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1C 5868386 KFPAGPZQZQHJQQ-HNNXBMFYSA-N 293.366 4.134 30 40 CIEB Cc1cc(N/C=C/C(=O)c2ccc(F)cc2)ccc1F 6281179 QEHPPHOXLKQIPC-CMDGGOBGSA-N 273.282 4.082 30 40 CIEB Clc1cccc(Cl)c1CN/N=C/c1cccs1 9196213 FCIPRHDXZSIDJP-VIZOYTHASA-N 285.199 4.179 30 40 CIEB CCCc1cc(SCC)n2c(nc3ccccc32)c1C#N 12648920 CFHICOWWJNKFGX-UHFFFAOYSA-N 295.411 4.424 30 40 CIEB O/N=C1\[C@H]2CC[C@H](C2)[C@@H]1Sc1nc2ccccc2s1 16545459 BXBULTSAQZXYGK-QOILRRCHSA-N 290.413 4.017 30 40 CIEB N#Cc1ccc(/C=C2\SCCc3ccccc3C2=O)cc1 79105039 CYNHZHXZJMBNBW-BOPFTXTBSA-N 291.375 4.071 30 40 CIEB N#Cc1cn(-c2ccc(Br)cc2)c2ccccc12 95915803 GSGFXBFQVJNSRJ-UHFFFAOYSA-N 297.155 4.265 30 40 CIEB C(#C[C@@H](c1ccccc1)C1CCCC1)CN1CCCCC1 96194481 DKJVBZHPGUUOJX-FQEVSTJZSA-N 281.443 4.450 30 40 CIEB CSc1ccc(/C=N/c2ccc(N(C)C(C)=O)cc2)cc1 96793229 DILDEAIUSXIEAZ-LDADJPATSA-N 298.411 4.142 30 40 CIEB CCc1ccc(/N=C/c2cc(C)n(CC)c2C)cc1 409075506 RDQZNYKHJUANKC-LDADJPATSA-N 254.377 4.438 30 40 CIEB C=C1C[C@@H]2CC[C@H](C1)N2Cc1csc(-c2ccccc2)n1 1776001417 REDAOKDVKLMASH-CALCHBBNSA-N 296.439 4.493 30 40 CIEB N#Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 1746607 YXOVPNOYFVIXHO-UHFFFAOYSA-N 278.138 4.444 30 40 CIEB O=C(O/N=C1\CCC\C1=C/c1ccccc1)c1ccccc1 4798855 YLFWHGYQKGQRHV-HSDAMBSXSA-N 291.350 4.467 30 40 CIEB Cc1ccc(CS/C(N)=N/c2ccccc2)cc1C 13099142 QXFDYFDVDSKUHD-UHFFFAOYSA-N 270.401 4.183 30 40 CIEB in-vitro COc1ccc(C(=O)/C=C/Nc2cccc(C)c2C)cc1 32100073 AETBAUZYAMHOOK-VAWYXSNFSA-N 281.355 4.121 30 40 CIEB CCCCCCCCCCCc1nccn1CCC(=N)N 100166751 QOHCCXMSBAKKOP-UHFFFAOYSA-N 292.471 4.282 30 40 CIEB CC1(C)O[C@@H](c2ccccc2)O/C1=C\C(=O)c1ccccc1 409024494 YYIYUPGWBKTTSP-FDWYHIAWSA-N 294.350 4.277 30 40 CIEB CC1(C)CC(=O)C=C(Nc2ccc(Br)cc2)C1 5250062 XIOHTTFVDXJURY-UHFFFAOYSA-N 294.192 4.134 30 40 CIEB COc1cccc(/C=C/C(=O)/C=C/c2ccsc2)c1 12771498 FVVZYAGZGATTJT-KQQUZDAGSA-N 270.353 4.052 30 40 CIEB O=C1/C(=C/c2ccccc2F)CCc2ccccc21 16407088 SIVGEYSWRBQHKD-SDNWHVSQSA-N 252.288 4.038 30 40 CIEB C=C(C)C1(Cl)[C@H]2CC[C@@H]1c1c(OC)ccc(OC)c12 45071223 LOOCZHGLXBNUMM-SOSAQKQKSA-N 278.779 4.232 30 40 CIEB C=C(Cl)[C@](F)(C(F)(F)F)C(F)(F)C(F)(F)F 95671240 IXGYNVBCCZVDNX-GSVOUGTGSA-N 280.517 4.207 30 40 CIEB O/N=C(\c1ccccc1)c1ccc2c3c(cccc13)CC2 102879401 HAPFSTJNKFIFJF-FMQUCBEESA-N 273.335 4.165 30 40 CIEB COc1cc2c(cc1/C=N\c1ccc(C(C)C)cc1)OCO2 409075014 WQCGVXHKMNDLSU-GRSHGNNSSA-N 297.354 4.298 30 40 CIEB Cc1cccc(/N=C/c2ccc(Br)o2)c1C 409199454 DJWRPISGEAJBGY-OVCLIPMQSA-N 278.149 4.410 30 40 CIEB CC[C@@H](C)c1ccc(O)c(/N=C/c2cccc(OC)c2O)c1 345192 ZVPLGBMYDWPMMK-ZGXHQARYSA-N 299.370 4.371 30 40 CIEB CC(C)(C)c1ccc(/N=C/c2cccc(O)c2O)cc1 3333666 GDJDQLCAEXYTAB-WOJGMQOQSA-N 269.344 4.146 30 40 CIEB COc1ccc([C@H](NCc2cccc(C#N)c2)C(C)C)cc1 22817914 XZVPYMMTQZRLJR-LJQANCHMSA-N 294.398 4.054 30 40 CIEB Fc1cccc(/C=N/Nc2nc(-c3ccccc3)cs2)c1 23099194 HJSCFPVRHYCFBY-VCHYOVAHSA-N 297.358 4.395 30 40 CIEB N#Cc1ccc(/C=C2/CSc3ccc(F)cc3C2=O)cc1 48417519 XEWQLCXKCUHZBV-QPEQYQDCSA-N 295.338 4.069 30 40 CIEB COc1ccc(/N=C/c2c(C)n(C)c3ccccc23)cc1 59302337 VMHZJEAHKJZLNB-XDHOZWIPSA-N 278.355 4.246 30 40 CIEB O=[N+]([O-])c1cc(/C=N\c2ccc3ccccc3c2)ccc1O 408904328 HYWCINALFGQDMZ-WQRHYEAKSA-N 292.294 4.204 30 40 CIEB COc1cccc(/N=C/c2ccc(N3CCCC3)cc2C)c1 408959832 GPLVVFFDLBFHBG-XSFVSMFZSA-N 294.398 4.354 30 40 CIEB CCCCCCCc1c(C)c2ccc(OC)cc2[nH]c1=O 1726046 RILCEEONGZOYLM-UHFFFAOYSA-N 287.403 4.358 30 40 CIEB CCCCCCCCC(=O)Nc1ccc(C(=O)OC)cc1 2057688 UWCWQVGDHXUWKS-UHFFFAOYSA-N 291.391 4.162 30 40 CIEB c1ccc(/N=C2\Oc3ccccc3[C@H]3SCCCN23)cc1 4967426 GUYSTWASCOATJS-OTZFSBHDSA-N 296.395 4.204 30 40 CIEB CCc1ccc(/C=C/C(=O)c2cccc(OC)c2)cc1 71977057 RHQOVZBHNAFKDT-VAWYXSNFSA-N 266.340 4.154 30 40 CIEB C=C(C)C(=O)c1ccc(COc2cc(F)ccc2F)cc1 575242734 IYXVBFNJWQPDGK-UHFFFAOYSA-N 288.293 4.303 30 40 CIEB Oc1ccc(/C=N/n2c3ccccc3c3ccccc32)cc1 1022007 FVZQRLHCNICBKC-DEDYPNTBSA-N 286.334 4.382 30 40 CIEB C/C(=N\Nc1ccccn1)c1ccc(Cl)cc1Cl 5692814 VDQNVKSZKHHRIY-RQZCQDPDSA-N 280.158 4.225 30 40 CIEB CCN(CC)CC#Cc1ccc(-c2ccccc2)cc1 95632828 XHPHSSOQEMCSAA-UHFFFAOYSA-N 263.384 4.047 30 40 CIEB CCCCCCCNC(=O)c1ccc(C(F)(F)F)cc1 98045212 HNIXJIFTWPAIKB-UHFFFAOYSA-N 287.325 4.406 30 40 CIEB N#Cc1ccc(CN2[C@H]3CC[C@H]2CC(=C2CCC2)C3)cc1 1776001818 MVAUDJIDPAABQJ-OALUTQOASA-N 278.399 4.166 30 40 CIEB C=CCOc1c(CCC)cc(C(=O)OCC)cc1CCC 1655432 LKPLXBXEZDFKKY-UHFFFAOYSA-N 290.403 4.333 30 40 CIEB CC[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 4524393 FNOYILCWRUKGNP-HNNXBMFYSA-N 298.773 4.344 30 40 CIEB CSc1cccc(NC2=CC(=O)CC(C)(C)C2)c1 6831730 PTRRPVHMUBMDHD-UHFFFAOYSA-N 261.390 4.093 30 40 CIEB COc1cc(Cl)cc(/C=N/c2ccccc2C)c1O 16362528 BEOWJCQFRDJIKH-RQZCQDPDSA-N 275.735 4.113 30 40 CIEB C=CCOc1ccccc1CNc1cccc(C)c1C 37215591 JSCORDDAZNJANZ-UHFFFAOYSA-N 267.372 4.480 30 40 CIEB CC(C)(C#N)[C@@H](OC(=O)c1ccccc1)c1ccccc1 501261 BNJQVPUJEJITJL-INIZCTEOSA-N 279.339 4.134 30 40 CIEB CC1=C[C@@H](/C=N\N2CCCCCC2)[C@@H](C)N1c1ccccc1 4823609 BEVIUEVXBDDANT-VOVPWFJUSA-N 297.446 4.277 30 40 CIEB C=CCn1c([C@H](C)Oc2ccccc2)nc2ccccc21 4908403 IIGVXWLATHXCNL-AWEZNQCLSA-N 278.355 4.362 30 40 CIEB Cc1ccc2cc(/C=N/c3cccc(C)c3C)c(=O)[nH]c2c1 5054335 AGAXLKJRVBMOKS-RGVLZGJSSA-N 290.366 4.204 30 40 CIEB CCCCCCC(=O)/C=C\c1ccc(OCOC)cc1 17062271 UTDHVFKQPRBPHU-FLIBITNWSA-N 276.376 4.222 30 40 CIEB COc1cc(C)c(/C=N\c2ccc(Cl)cc2)cc1OC 408548281 FSAXKQGMTLVOKF-ZDLGFXPLSA-N 289.762 4.416 30 40 CIEB Cc1ccc(C(C)C)c(O)c1/N=C/c1ccccc1C(=O)O 1682966 CATQSYVECXRHCG-VXLYETTFSA-N 297.354 4.273 30 40 CIEB Clc1ccc(/C=N/N=C/c2ccco2)c(Cl)c1 1709306 CKJXBXRIJBSWIE-BGPOSVGRSA-N 267.115 4.039 30 40 CIEB Oc1ccccc1/C=N\c1ccccc1C(F)(F)F 16920933 LJQRZTLANHGFKY-NVMNQCDNSA-N 265.234 4.162 30 40 CIEB Cc1ccc(N/C=C/C(=O)c2ccccc2)c(C)c1 32100057 OIENWISPXUOXOV-ZHACJKMWSA-N 251.329 4.112 30 40 CIEB CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H]2CC=CCC2)cc1 66396732 VJIGWAYQHRYWRW-DOTOQJQBSA-N 296.414 4.021 30 40 CIEB CCCCCCCC[S@@](=O)CCCCCCCO 100244447 BABCCTBTFJDTML-SFHVURJKSA-N 276.486 4.038 30 40 CIEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C\N1CCCc2ccccc21 100362936 AHAXJKCZZPBJCD-XKSBMNHJSA-N 295.426 4.348 30 40 CIEB C=CCCC(=O)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206877024 FIXGDMSRCBVECH-OAHLLOKOSA-N 291.822 4.402 30 40 CIEB CC(C)Cn1c(C#N)cc(N)c1Oc1cccc(Cl)c1 225881624 IZSZYODKEZDRAT-UHFFFAOYSA-N 289.766 4.044 30 40 CIEB COc1ccccc1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 409071486 RPMZAHPXMVKRCX-CXUHLZMHSA-N 290.706 4.007 30 40 CIEB CCOc1ccc(Cl)cc1/C=N\c1ccc(OC)cc1 409101215 AOXMYKDBYHRXKH-WQRHYEAKSA-N 289.762 4.498 30 40 CIEB Cc1ccc(C(=O)C[C@H](c2ccccc2)C(C#N)C#N)cc1 51693 SZRLNEYBTZVYLT-GOSISDBHSA-N 288.350 4.015 30 40 CIEB C#CCSc1nccc(/C=C/c2ccc(Cl)cc2)n1 5220184 RZOKQLIUVKIPOT-VMPITWQZSA-N 286.787 4.026 30 40 CIEB C(=N/CCCC/N=C/c1cccs1)\c1cccs1 6528183 KHNSYJIWEIKNLX-JOBJLJCHSA-N 276.430 4.128 30 40 CIEB CC/C(=N/N=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1 15938404 LKXNALRUDYMXNR-YAFCTCPESA-N 296.370 4.111 30 40 CIEB CC(C)Sc1ccccc1C(=O)[C@H](C#N)c1ccccn1 78556509 BDDUCQHBRNNGHR-CQSZACIVSA-N 296.395 4.072 30 40 CIEB CCCCCCCCCNC(=O)c1ccc[nH]c1=S 102935124 CKOSQCDRSHGLOJ-UHFFFAOYSA-N 280.437 4.225 30 40 CIEB C#CCOc1ccc(CNc2cccc(C)c2)cc1OCC 409114821 JLKAOZXRAPMREL-UHFFFAOYSA-N 295.382 4.018 30 40 CIEB C#CCn1c(-c2cccnc2Cl)nc2cc(C)c(C)cc21 1397539 JWUVKBFPMLEVKQ-UHFFFAOYSA-N 295.773 4.002 30 40 CIEB COc1cc(/C=C/C(C)=N/O)ccc1OCc1ccccc1 5685728 HBXIBFUTPMKVPS-ZMYBKAFPSA-N 297.354 4.138 30 40 CIEB CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C[C@]4(C)C3=CC[C@]12C 6158972 VSKPLBHXQVCXOT-DSJDWBEOSA-N 298.426 4.254 30 40 CIEB CC(C)C1=CC(=O)C=C[C@]1(C)C(Cl)(Cl)Cl 1626879 MSKKOCUALVAJKR-JTQLQIEISA-N 267.583 4.084 30 40 CIEB C=CCSc1ncc(-c2ccc(Cl)cc2)cn1 3133752 SPACQUXRROKFRN-UHFFFAOYSA-N 262.765 4.075 30 40 CIEB N=C(N=C(c1ccccc1)c1ccccc1)C(F)(F)F 5278587 XMLDVAFOXRHKLL-UHFFFAOYSA-N 276.261 4.064 30 40 CIEB Cc1ccc(/C=N/Nc2ccccc2C(F)(F)F)cc1 6530607 RZUKDIGQYITHLV-VXLYETTFSA-N 278.277 4.460 30 40 CIEB COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1F 7336032 LQPYSGGDZPGPJY-XBXARRHUSA-N 290.721 4.384 30 40 CIEB O=C(/C=C/c1ccc(F)c(F)c1)c1ccc(F)c(F)c1 7712444 CEXLDDHHKHYGGN-QHHAFSJGSA-N 280.220 4.139 30 40 CIEB N#Cc1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1 16940670 NTEOEXJLGASIFF-UHFFFAOYSA-N 278.336 4.054 30 40 CIEB CSC(=Nc1nc2ccccc2s1)SC 57352479 KAVWRNPBBDTNFC-UHFFFAOYSA-N 254.405 4.010 30 40 CIEB CC(=N\OCc1ccccc1)/C(C)=N/OCc1ccccc1 59366313 JKDSJEIVIKUELN-MXWIWYRXSA-N 296.370 4.172 30 40 CIEB O/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 253567987 KSNLIOPXYHXDIZ-CAOOACKPSA-N 296.153 4.381 30 40 CIEB O=C1CCCCC/C1=C\Nc1ccc(Br)cc1 6269182 VYYNEOAVNBCCKZ-ZHACJKMWSA-N 294.192 4.278 30 40 CIEB O/N=C1/CC/C=C/CC/C=C/CC[C@H]1N1CCCCC1 100976926 ULZMQPHIXGOUSI-VTUIJVARSA-N 276.424 4.138 30 40 CIEB Cc1cc(N2CCCC2)c(F)cc1/C=N/Nc1ccccc1 107659419 KSWSSXQEWQUJQT-DEDYPNTBSA-N 297.377 4.180 30 40 CIEB COc1cccc(/N=C\c2ccc(N3CCCC3)cc2)c1 408845935 NRLDRMWZKPAFFD-RGEXLXHISA-N 280.371 4.046 30 40 CIEB COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1O 409211587 ONUBRHMEODEDSP-RQZCQDPDSA-N 275.735 4.113 30 40 CIEB C=C(Cl)CSc1nnc(Nc2ccccc2)s1 6560335 WAEYSQJIOCZMMH-UHFFFAOYSA-N 283.809 4.126 30 40 CIEB COc1ccc2[nH]c(/C=C/C(=O)c3ccc(F)cc3)cc2c1 17198369 VZVNEACXJPLXFC-RMKNXTFCSA-N 295.313 4.212 30 40 CIEB C=C/C=C/C(=O)N(Cc1ccccc1)[C@@H](C=C)CC(C)C 39277351 QSOFGQAHXXWYKE-UTGRISEESA-N 283.415 4.358 30 40 CIEB CC(C)=NNc1cc(Cl)c(Cl)cc1Cl 70461243 ZPLWTMPWMZDFFR-UHFFFAOYSA-N 251.544 4.455 30 40 CIEB CC(C)c1ccc(CN(CCC#N)Cc2ccccn2)cc1 72308641 IJEJTEPVSJTFTI-UHFFFAOYSA-N 293.414 4.121 30 40 CIEB CC(/C=N/Nc1ccc([N+](=O)[O-])cc1)=C\c1ccccc1 5725149 GZNWAJFUIVBCPJ-QKIOLIMFSA-N 281.315 4.096 30 40 CIEB Cc1ccc(OCc2ccc(C#N)cc2)c2c1[C@H](C)CC2=O 11052198 RMPWTWXSJONHKN-CYBMUJFWSA-N 291.350 4.136 30 40 CIEB Cc1ccc(-c2cc(C(F)F)nc(S)c2C#N)cc1 18166842 SRMMDDSPPMOHTC-UHFFFAOYSA-N 276.311 4.155 30 40 CIEB O=C(/C=C/Nc1ccccc1)c1ccc(Cl)cc1 18175868 VZCSLOHTERTVCE-ZHACJKMWSA-N 257.720 4.149 30 40 CIEB N#CCc1c(C(F)(F)F)ccc(Cl)c1Cl 38529666 BHMNRRQYRWZABT-UHFFFAOYSA-N 254.038 4.078 30 40 CIEB Cc1c(F)cccc1/N=C/c1cc(Cl)ccc1O 44835803 YIPRQQHEFPTXCN-CAOOACKPSA-N 263.699 4.244 30 40 CIEB C#C[C@](C)(O)c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C 96171782 YBKAUPZMOYBDMT-IBGZPJMESA-N 270.416 4.122 30 40 CIEB CCOc1ccc(/N=C\c2ccc(Cl)cc2)c(O)c1 100344920 YMZRUZKLJGPUMS-YVLHZVERSA-N 275.735 4.195 30 40 CIEB CO[C@@H](C)c1ccccc1/C(C)=C1/Nc2ccccc2C1=O 104151380 SUZMIJDQPFEGDE-HTMJNSLASA-N 293.366 4.433 30 40 CIEB C=C(C)CCC[C@H](C)CCN(N)c1ccc(C)cc1 3845687 JJAYGMAXOWZQIB-HNNXBMFYSA-N 260.425 4.448 30 40 CIEB biogenic CCc1ccc(/C=C/C(=O)c2cccc(NC(C)=O)c2)cc1 5129274 PVBPORKKVFLNHW-VAWYXSNFSA-N 293.366 4.104 30 40 CIEB O=C(/C=C\c1c(O)ccc2ccccc12)c1cccc(O)c1 5722861 SEJSOIIPSTXKHD-LUAWRHEFSA-N 290.318 4.147 30 40 CIEB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=C\Nc1ccccc1 13403902 LBVBAIXYJUONAC-LIQNAMIISA-N 255.361 4.008 30 40 CIEB N#Cc1c(-c2ccco2)cc(-c2ccc(Cl)cc2)nc1N 20329940 LCAAKPMYGBRCEX-UHFFFAOYSA-N 295.729 4.116 30 40 CIEB N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1NC1CCCC1 96346463 OSUALGIRKBEKRA-LSDHHAIUSA-N 293.370 4.172 30 40 CIEB C[C@@H](c1ccc(Cl)c(Cl)c1)[S@@](=O)CCCC#N 97097872 JZGCHNLFQNIHHB-HUTHGQBESA-N 290.215 4.107 30 40 CIEB Cc1ccc(/N=C/c2cc(C)n(C)c2C)cc1Cl 408776917 SBEKWWUSKXSEGG-RQZCQDPDSA-N 260.768 4.354 30 40 CIEB CSc1cccc(C(=O)/C=C/c2ccccc2)c1 575358485 AXQOORXNJZWBMY-ZHACJKMWSA-N 254.354 4.305 30 40 CIEB COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1O 571099 WZNXWALKXCLPNY-RQZCQDPDSA-N 275.735 4.113 30 40 CIEB CSc1ccccc1CCC(=O)c1ccccc1C#N 2516599 KPBYWJPJPDWYDV-UHFFFAOYSA-N 281.380 4.096 30 40 CIEB Cc1ccc2cc(C#N)c(NCc3ccccc3)nc2c1 19096746 PHVWPQRHSRDQRP-UHFFFAOYSA-N 273.339 4.027 30 40 CIEB N#C[C@H](C(=O)/C=C/c1cccc2ccccc12)c1ccccn1 49457332 YOFOOQSYQCZHAZ-DXRVJIQQSA-N 298.345 4.124 30 40 CIEB CCc1ccc(C(=O)/C=C\Nc2ccc(F)cc2F)cc1 100661891 IOYJMNSDIDTMCL-KTKRTIGZSA-N 287.309 4.336 30 40 CIEB CCCCCCCCNCc1cccc([N+](=O)[O-])c1 104155422 RIUDAIVAEYSVOM-UHFFFAOYSA-N 264.369 4.045 30 40 CIEB CCN1c2cc(Cl)c(C#N)cc2C(C)=CC1(C)C 223792154 AFFRARDJNXGECI-UHFFFAOYSA-N 260.768 4.233 30 40 CIEB C/C(=N\NCc1ccccc1Cl)c1cc(C)ccc1C 408710562 HPOHHEDQLCZSAY-XSFVSMFZSA-N 286.806 4.471 30 40 CIEB N#Cc1ccccc1C(=O)CCc1ccc(Cl)cc1 2517270 SJPNTCAOOICDSN-UHFFFAOYSA-N 269.731 4.027 30 40 CIEB N#Cc1c(/N=C/c2ccco2)sc2c1CCCCC2 13116081 QWMRXFGGEHXIIP-LICLKQGHSA-N 270.357 4.232 30 40 CIEB CC(C)(Br)C(=O)/C=C\c1ccc(Cl)cc1 17143001 QCNOEGPEDALQFH-YVMONPNESA-N 287.584 4.096 30 40 CIEB N#C[C@H]1C=CC=CN1/C(=N\c1ccccc1)c1ccccc1 17285476 FWCAZHXBGVHHGU-IDYLYPCZSA-N 285.350 4.043 30 40 CIEB O/N=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 20154462 UFZQOHRTWAIKJJ-UBKPWBPPSA-N 289.640 4.427 30 40 CIEB O=C(/C=C/Nc1ccc(Cl)cc1)c1cccs1 100401631 FONKUHVZMJBKJF-BQYQJAHWSA-N 263.749 4.210 30 40 CIEB Cc1ccc(/C=C2/C(=O)[C@@H]3CC[C@]2(C)C3(C)C)cc1 102456887 IFRCODNIQRHSLF-RQIGNHDYSA-N 254.373 4.404 30 40 CIEB Oc1ccc2ccccc2c1C=Nc1ccccc1F 254490252 SVSZPSJOSRXCFN-UHFFFAOYSA-N 265.287 4.435 30 40 CIEB C=C(C)c1ccc(C(C)(C)NC(=O)NCc2ccco2)cc1 296559 RFWCYAMKZGCCSV-UHFFFAOYSA-N 298.386 4.047 30 40 CIEB CCCCCCCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1 2165999 JXEGSAMPGXCVQA-IAGOWNOFSA-N 273.420 4.267 30 40 CIEB CC[C@H](/N=C(/S)NC1CCCCC1)c1ccccc1 13931579 OMVKJUORDWRZNK-HNNXBMFYSA-N 276.449 4.346 30 40 CIEB CCOc1ccc(C(=O)/C=C/Nc2ccc(C)cc2)cc1 51318756 SHCJBPGPFOGRMM-OUKQBFOZSA-N 281.355 4.202 30 40 CIEB Cc1cccnc1-c1nc(-c2ccccc2)c(C#N)s1 98071548 GNCHRPZBZFYZAD-UHFFFAOYSA-N 277.352 4.052 30 40 CIEB Oc1ccccc1/C=N/c1cc(Cl)ccc1Cl 100037341 QUHYROKUZIGSDC-LZYBPNLTSA-N 266.127 4.450 30 40 CIEB N#Cc1ccccc1-c1ccc(/C=N/Nc2ccccc2)o1 107773966 GPJBZWSMXUKSEL-DEDYPNTBSA-N 287.322 4.264 30 40 CIEB O=C(/C=C/c1ccccc1)c1cccc(F)c1Cl 575361501 MDWONRSYRBQPEM-MDZDMXLPSA-N 260.695 4.375 30 40 CIEB N#CCc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 358158 WJRORFSLXVSYQH-UHFFFAOYSA-N 288.375 4.447 30 40 CIEB CC(=O)c1ccc(Oc2ccc(C#N)cc2)cc1Cl 78942423 ZLCJLABQPDFNSJ-UHFFFAOYSA-N 271.703 4.207 30 40 CIEB CCCCCC/C=C(/C)I 137326750 UKJXZEWKOOKRBN-HJWRWDBZSA-N 252.139 4.296 30 40 CIEB Cc1cc(C)c(C(=O)[C@H](C)Oc2cccc(C#N)c2)cc1C 6401368 BOARAVHTLZDRPZ-HNNXBMFYSA-N 293.366 4.134 30 40 CIEB N#Cc1ccc(CNC(c2ccccc2)c2ccccc2)cc1 14915592 BOMDGVCEHXHSTD-UHFFFAOYSA-N 298.389 4.437 30 40 CIEB Cc1ccc(NCc2ccccc2C#N)c(Cl)c1 20361018 SHCKKLAIYYLHCB-UHFFFAOYSA-N 256.736 4.132 30 40 CIEB Oc1ccc2ccccc2c1/C=N\CCc1ccccc1 100828900 AXXRPBSYYXPGOL-ZHZULCJRSA-N 275.351 4.207 30 40 CIEB C#CCn1cc(/C=C/C(=O)c2ccc(C)cc2)c2ccccc21 408691954 ZUIXZCQZSVQVCX-OUKQBFOZSA-N 299.373 4.479 30 40 CIEB C=CCc1cc(CNc2ccccc2C)cc(OC)c1OC 409121235 TVPRFYBLGHKSIV-UHFFFAOYSA-N 297.398 4.353 30 40 CIEB C=CCn1c(-c2ccccc2)nc(=S)c2c1CCCC2 543998 SEZJEGNRKGQFHL-UHFFFAOYSA-N 282.412 4.344 30 40 CIEB C(#CC1(N2CCCCC2)CCCCC1)c1ccccc1 3659555 KQCNZPHZQGRNGL-UHFFFAOYSA-N 267.416 4.227 30 40 CIEB N#Cc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 5634662 CVWHZMMEMBQFAB-UHFFFAOYSA-N 291.137 4.117 30 40 CIEB COc1ccc(OC)c(/C=C2\Sc3ccccc3C2=O)c1 12419794 KMVGJYZITLCUSP-YBEGLDIGSA-N 298.363 4.033 30 40 CIEB O=C(/C=C\Nc1cccc(Cl)c1)c1cccs1 16398876 IFUTYWGFZWFIMM-SREVYHEPSA-N 263.749 4.210 30 40 CIEB C[C@H](c1ccc(Cl)c(Cl)c1)[S@@](=O)CCCC#N 97097873 JZGCHNLFQNIHHB-VVVCHXIZSA-N 290.215 4.107 30 40 CIEB CCc1ccc(/C=N/c2cc(OC)c(OC)c(OC)c2)cc1 97960677 WJGVGDBKEDJJJD-XDHOZWIPSA-N 299.370 4.025 30 40 CIEB CC1=C[C@@](C)(C(Cl)(Cl)Cl)C(C)=C/C1=N\O 100596639 KWZMBIRKWQBTEG-MBBDXHFBSA-N 268.571 4.099 30 40 CIEB CC[C@H](CC(C#N)(c1ccccc1)c1ccccc1)N(C)C 1593583 HDWSNDWMFQNWKU-LJQANCHMSA-N 292.426 4.227 30 40 CIEB C=CCOc1ccc(/C=N/c2ccc(C)cc2)cc1OC 8371899 CQZSGQTYCGTTNK-CPNJWEJPSA-N 281.355 4.319 30 40 CIEB CCCC[C@H](CC)[C@H](O)C#Cc1ccc(F)cc1C 95632301 JXTZREPIRYUSOU-WMLDXEAASA-N 262.368 4.063 30 40 CIEB CC(C)(C)N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21 33778460 VHROBQTXHXDELU-HWLQVLAGSA-N 294.398 4.303 30 40 CIEB CC(=O)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1 38303977 WRFZHBDIMXEUTQ-QGZVFWFLSA-N 283.758 4.127 30 40 CIEB C=CC[C@@H](CCCCCC)NC(=O)OC(C)(C)C 72481988 ZUIKFHYZXOWKBC-ZDUSSCGKSA-N 255.402 4.426 30 40 CIEB Cc1nc(CSc2ccc(C#N)cc2Cl)oc1C 95437147 ATBJXKLTTXBCTE-UHFFFAOYSA-N 278.764 4.109 30 40 CIEB Cc1cc(C)cc(/N=C2/C(=O)N(C(C)C)c3ccccc32)c1 100085785 GFDNZCYUGMCORO-CZIZESTLSA-N 292.382 4.179 30 40 CIEB C=C(Br)CCCc1cc(F)c(F)c(F)c1 952958815 DQDMJQZDVBIBAK-UHFFFAOYSA-N 279.099 4.335 30 40 CIEB C=C[C@@]1(C)CC[C@H]2[C@@H](O1)c1ccccc1OC2(C)C 191893 WNGKNBXEGIYGPF-QRTARXTBSA-N 258.361 4.270 30 40 CIEB CCc1nnc(/N=C(\O)c2ccc(C(C)(C)C)cc2)s1 482758 QKDUJFHDIJGXKH-UHFFFAOYSA-N 289.404 4.034 30 40 CIEB CCCCCCCCSc1nc2nc(C)cc(C)n2n1 2182109 MCFBFHQNRLWYTN-UHFFFAOYSA-N 292.452 4.194 30 40 CIEB C[C@@H]1CCC/C(=N\Nc2ccc3ccccc3n2)C1 16916654 QTRQJBWCSNJCAU-FNFFHQHPSA-N 253.349 4.213 30 40 CIEB CCN(CC)c1ccc(/N=C/c2ccc(N(C)C)cc2)cc1 18043183 PVGCAZUDSGRRLD-HMMYKYKNSA-N 295.430 4.349 30 40 CIEB Cc1ccc(/C=C/C(=O)c2ccc(OCC#N)cc2)cc1C 40139681 VTDXNCJVQWXNRW-BJMVGYQFSA-N 291.350 4.102 30 40 CIEB Cc1ccc(/N=C/c2ccc(N3CCCC3)cc2)cc1 197538960 BORRRXSZVSGSGX-XMHGGMMESA-N 264.372 4.346 30 40 CIEB C/C=C/C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575243189 WUTLMVWMXSNSNE-NSCUHMNNSA-N 282.183 4.483 30 40 CIEB Cc1ccc(CSc2nc3c(cc2C#N)CCC3)cc1 803762 JOLAMJXULGBGHY-UHFFFAOYSA-N 280.396 4.043 30 40 CIEB Cc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2)cc1 6029580 QDMTUOAZPPBXHT-VXLYETTFSA-N 278.277 4.460 30 40 CIEB Cc1ccc(/C=C2\Sc3nc(C)cc(C)c3C2=O)cc1 19797261 BSADKQVPRYGWDA-ZROIWOOFSA-N 281.380 4.336 30 40 CIEB CCc1c(C)sc(NC(=O)c2sccc2C)c1C#N 28225840 LPKLYQSOVUUJKQ-UHFFFAOYSA-N 290.413 4.113 30 40 CIEB CCOc1ccc(C(=O)/C=C/Nc2cc(C)ccc2F)cc1 51318921 WAMDXESLDYZACY-ZHACJKMWSA-N 299.345 4.341 30 40 CIEB N#Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 3350940 CQSDVKTXNIHWHW-UHFFFAOYSA-N 291.137 4.117 30 40 CIEB CCC/C(=N/Nc1ncnc2ccccc12)c1ccccc1 4536785 SEYCAMBANDLHHR-PGMHBOJBSA-N 290.370 4.246 30 40 CIEB CSc1ccc(/C=C/C(=O)c2ccc(C#N)cc2)cc1 6175092 HAZFDIXTPMVNQT-IZZDOVSWSA-N 279.364 4.176 30 40 CIEB CC(C)(C)c1cc(-c2ccccc2Cl)c(C#N)c(N)n1 20404882 SEPGGFBSRCMPBF-UHFFFAOYSA-N 285.778 4.153 30 40 CIEB CSc1ccc(C/N=C/c2cc(Cl)ccc2O)cc1 44835582 XGMQONPMRNLVBA-LICLKQGHSA-N 291.803 4.387 30 40 CIEB CCCCCCCc1cnc(-c2ccc(O)cc2)nc1 100074158 SVCAHBHOQGCHHE-UHFFFAOYSA-N 270.376 4.362 30 40 CIEB COc1ccc(/C=C2\C(=O)[C@@]3(C)CC[C@H]2C3(C)C)cc1 100295761 NUXVNHVEMUEEND-SSEPWQBHSA-N 270.372 4.104 30 40 CIEB CCCCCCCCCCCC[S@](=O)C[C@@H](C)O 104189583 MKMIQRZGJOVVSO-CRAIPNDOSA-N 276.486 4.037 30 40 CIEB OCc1cccc(/N=C/c2cccc(Cl)c2Cl)c1 65397 WPGQUZNTDYITSP-CAOOACKPSA-N 280.154 4.236 30 40 CIEB N#Cc1ccccc1NC(=O)c1cc(Cl)ccc1Cl 577968 IZKJXCPNVVEURB-UHFFFAOYSA-N 291.137 4.117 30 40 CIEB C[C@@H]1Nc2cc(Cl)ccc2NC2=C1C(=O)CC(C)(C)C2 5211701 HMXFZFDQFPOJTJ-VIFPVBQESA-N 290.794 4.209 30 40 CIEB O/N=C(/c1ccc(Cl)cc1)[C@H]1C[C@H]1c1ccccc1 5684684 WFQZPHNZEAURIF-FYLTZNRMSA-N 271.747 4.322 30 40 CIEB Fc1ccc(/C=N/Nc2ccccc2)cc1Br 6885334 QILMNQHBDWYMSL-CXUHLZMHSA-N 293.139 4.034 30 40 CIEB N#Cc1c(C(F)(F)F)cc(Cc2ccccc2)[nH]c1=S 12376595 WGFDAYVMQVXFEZ-UHFFFAOYSA-N 294.301 4.225 30 40 CIEB CC(=O)/C(C(=O)c1ccccc1Oc1ccccc1)=C(/C)O 16136426 HRPWVDNOGHZYJU-SFQUDFHCSA-N 296.322 4.083 30 40 CIEB CCCC[C@@H](CC)[C@@H](O)C#Cc1ccc(F)c(C)c1 95632349 GMVFNEQIHKWEHE-WBVHZDCISA-N 262.368 4.063 30 40 CIEB O/N=C1\CCCC[C@H]1[C@H](O)c1c(Cl)cccc1Cl 104206254 WQHCCBTXKDWWRJ-KFVABVCRSA-N 288.174 4.047 30 40 CIEB N#Cc1ccc(-c2cn3cc(Cl)cc(Cl)c3n2)cc1 107876834 WTLORQSOEUVIJB-UHFFFAOYSA-N 288.137 4.180 30 40 CIEB Cc1cccc(Oc2c(N)cc(C#N)n2C2CCCC2)c1 225879922 LUKSKCKEBBCFQY-UHFFFAOYSA-N 281.359 4.158 30 40 CIEB C/C(=N\NCc1ccc(Cl)cc1)c1ccc(C)cc1C 408711589 AMMPEFNMFVZSEB-XSFVSMFZSA-N 286.806 4.471 30 40 CIEB N#Cc1ccc(CSc2nc3ccc(Cl)cc3[nH]2)cc1 4484998 RXGQDVBPESKQSG-UHFFFAOYSA-N 299.786 4.380 30 40 CIEB N#Cc1cccnc1SCc1c(F)cccc1Cl 30822764 YLIYVHLLLXWSLR-UHFFFAOYSA-N 278.739 4.038 30 40 CIEB Cc1ccccc1N/N=C/c1c(O)ccc2ccccc12 59463327 JETCYCZJTBEHSX-XDHOZWIPSA-N 276.339 4.300 30 40 CIEB Cc1ccccc1C(=O)O/N=C1/C[C@H]2CC[C@@]1(C)C2(C)C 100505516 CHSJIRHCYRXYDD-DDHQNJRCSA-N 285.387 4.354 30 40 CIEB CCCCc1ccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 408905140 UFSIAOXSXPQOCH-LDADJPATSA-N 298.342 4.394 30 40 CIEB CC(C)(C)c1ccc(/N=C\c2cccc([N+](=O)[O-])c2O)cc1 409098994 NGOTYHFDACLCMF-WQRHYEAKSA-N 298.342 4.349 30 40 CIEB Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(N)c2C#N)cc1 278534 PEKSVSRFUXFQIH-UHFFFAOYSA-N 299.333 4.248 30 40 CIEB CC(C)c1ccc(/C=N/NC(=S)Nc2ccccc2)cc1 5237139 ZEUSTCBLAUPYGA-LDADJPATSA-N 297.427 4.131 30 40 CIEB C#CCCCCCCCCC(=O)NC1CCCCC1 6013652 SBHYXPAZBGMOLK-UHFFFAOYSA-N 263.425 4.189 30 40 CIEB CCN(CC)/C(N)=N/c1cc2ccccc2c2ccccc12 6381714 FVQASWJBFZIPSF-UHFFFAOYSA-N 291.398 4.281 30 40 CIEB COc1ccc2c(C#N)cc3c4ccccc4ncc3c2c1 13207881 GUYZBOTZXDYLKG-UHFFFAOYSA-N 284.318 4.421 30 40 CIEB CCCCCCCCCSCCOC(=S)N(C)C 104155945 LWRHBFVRDYXPLU-UHFFFAOYSA-N 291.526 4.333 30 40 CIEB N#Cc1cnc(N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)c(Cl)c1 1776009129 ILWSIMCCLCHJLI-GJZGRUSLSA-N 299.805 4.074 30 40 CIEB Cc1ccc([C@@H]2O[C@]23CCCc2ccccc2C3=O)cc1 163834 YGWPGDCQINZONS-OALUTQOASA-N 278.351 4.024 30 40 CIEB C=CCc1cc(C=O)cc(OC)c1OCc1cccc(C)c1 5755054 XQIZOWCTYNJTDC-UHFFFAOYSA-N 296.366 4.124 30 40 CIEB CCC[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 7265376 MCBGVLPMCOPEQK-QGZVFWFLSA-N 278.355 4.081 30 40 CIEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C]2O 1560408761 PLZLIVDEFDJGTP-QAGGRKNESA-N 287.423 4.423 30 40 CIEB CO/C=N\c1ccc(/N=N/c2cc(C)ccc2O)cc1 4529990 IOJXWYSAFSIHPU-VZZLQLFRSA-N 269.304 4.422 30 40 CIEB CCn1cc(Cl)c(/C=C/C(=O)c2ccc(Cl)cc2)n1 6490152 RBSWPIZPXYQRPD-BQYQJAHWSA-N 295.169 4.106 30 40 CIEB CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1O 12625225 HWCYXDCGTUMEND-YBEGLDIGSA-N 298.363 4.120 30 40 CIEB CC[C@@H](C)C[C@](C)(O)C#Cc1ccc(F)c(Cl)c1 95632847 JWBVAFSKNTUZMI-IAQYHMDHSA-N 268.759 4.018 30 40 CIEB C/C(NC1CCCCC1)=C1/Sc2ccccc2C1=O 100095267 ZCRXEJHPMMRJJT-WJDWOHSUSA-N 273.401 4.129 30 40 CIEB C/C(=N\Nc1ccc(C)c(Cl)c1)c1ccccc1O 102398900 ZCJPNLZKJRDRJL-GZTJUZNOSA-N 274.751 4.190 30 40 CIEB CCOc1cccc(/C=N\c2ccc(C)cc2C)c1 409210865 LGQMQEMZMFROEI-PDGQHHTCSA-N 253.345 4.453 30 40 CIEB C=C(Br)CCc1ccc(OC(F)(F)F)cc1 1848444284 YOUHKQLDFMXMBH-UHFFFAOYSA-N 295.098 4.426 30 40 CIEB Brc1ccccc1/N=C/C#Cc1ccccc1 5600976 VUMIMSOYCVEFAL-SFQUDFHCSA-N 284.156 4.203 30 40 CIEB CCOc1ccc(/N=C/c2ccc(Br)o2)cc1 6962593 XWSYINHODWRXPA-OQLLNIDSSA-N 294.148 4.191 30 40 CIEB N#Cc1ccc(COc2ccc(Cl)c3cccnc23)cc1 7718087 PCUOVFVDKHMKOZ-UHFFFAOYSA-N 294.741 4.339 30 40 CIEB C=CCN(C(=S)NCCCCCC)c1ccccc1 16638064 MSDOXDBLWNOESF-UHFFFAOYSA-N 276.449 4.134 30 40 CIEB CCCCCCCCSc1nc2cnccc2n1C 29748902 BWXUJFZYBLYHIH-UHFFFAOYSA-N 277.437 4.421 30 40 CIEB CCOc1cccc(C/N=C/c2cc(Cl)ccc2O)c1 44835567 PZIYMVHYSBHHPF-WOJGMQOQSA-N 289.762 4.063 30 40 CIEB O=C(/C=C\Nc1ccc(Cl)cc1)c1ccccc1 100361063 GREFWYLBSUFMMO-KHPPLWFESA-N 257.720 4.149 30 40 CIEB Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1C 408782401 HUUJSNYJZICMFZ-CAOOACKPSA-N 264.731 4.185 30 40 CIEB C=CCCC(=O)NCc1cc(-c2ccsc2)cs1 1888919439 QXCKRTWJOHTJDG-UHFFFAOYSA-N 277.414 4.059 30 40 CIEB Oc1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1 297165 ZXMFEABSEJLOMD-LZYBPNLTSA-N 266.127 4.450 30 40 CIEB Clc1ccc(/C=N/N2CCCCCC2)cc1Cl 1631167 OYPOPVRYUZVANY-MHWRWJLKSA-N 271.191 4.203 30 40 CIEB COc1cccc(C(=O)/C=C/c2ccc(Cl)s2)c1 14176030 AFVFNAQSKCJUIF-FNORWQNLSA-N 278.760 4.306 30 40 CIEB N#CCCCOc1ccc2c(c1)[nH]c1ccccc12 68605524 QDTJAAQGBAELQJ-UHFFFAOYSA-N 250.301 4.004 30 40 CIEB CCO[C@H](C)OCC#Cc1ccc(-c2ccccc2)cc1 95632810 WOPQAKZIXODJHY-INIZCTEOSA-N 280.367 4.104 30 40 CIEB O/N=C1\[C@H]2CC[C@@H](C2)[C@H]1N(c1ccccc1)c1ccccc1 100965618 IDLFGPRFKIVCEI-VJTVFIPSSA-N 292.382 4.453 30 40 CIEB C=CCCCCCCCCC(=O)Nc1nnc(CC)s1 2061696 RYOBLSUAGJUOJF-UHFFFAOYSA-N 295.452 4.346 30 40 CIEB CCO[P@](=O)(C#CC(C)(C)C)[C@@](C)(O)c1ccccc1 2318988 NMGFULLYWKQAOP-OXQOHEQNSA-N 294.331 4.173 30 40 CIEB O/C(=N\c1nc2ccc(F)cc2s1)Oc1ccccc1 4218874 QHSNKKPRRSEVEG-UHFFFAOYSA-N 288.303 4.060 30 40 CIEB CCCSc1nc(-c2ccc(C)cc2)ccc1C#N 33011126 LHGDUXRBNKSAPX-UHFFFAOYSA-N 268.385 4.431 30 40 CIEB O/N=C1\[C@H]2CC[C@@H](C2)[C@H]1Sc1nc2ccccc2s1 100950856 BXBULTSAQZXYGK-NSFUVASDSA-N 290.413 4.017 30 40 CIEB FC(F)(F)c1ccc(N/N=C\c2ccccc2)cc1 408940628 VEFFARXFBKBRQF-ZDLGFXPLSA-N 264.250 4.151 30 40 CIEB CC(C)(C)c1ccc(O)c(/N=C/c2ccc([N+](=O)[O-])cc2)c1 296809 DAJBGONYSJDZPC-WOJGMQOQSA-N 298.342 4.349 30 40 CIEB C=CCc1cc2c(cc1[C@H](C)c1ccc(OC)cc1)OCO2 1584149 FLLZPOLJSBLPEW-CYBMUJFWSA-N 296.366 4.304 30 40 CIEB CC1(C)C=C(Cc2ccccc2)C(=O)c2ccccc21 1744730 WAQYTHYDVRWTDW-UHFFFAOYSA-N 262.352 4.330 30 40 CIEB CC[C@H]1/C(=N\O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1 5247747 KELKCHCDSYUMCO-FZGJKKLJSA-N 294.398 4.319 30 40 CIEB CCCCC#CC#CCCCCCCCOC(C)=O 5457351 IUSWPHHDABZYHZ-UHFFFAOYSA-N 262.393 4.087 30 40 CIEB Fc1ccc(Br)cc1/C=N/Nc1ccccc1 6228856 SSOHGHUTPFKTGH-CXUHLZMHSA-N 293.139 4.034 30 40 CIEB C=C(Cl)CSc1nnc(Nc2cccc(C)c2)s1 6784314 GOARVTGNZXTNAH-UHFFFAOYSA-N 297.836 4.435 30 40 CIEB CCOc1ccc(C(=O)/C=C/Nc2cccc(F)c2)cc1 51318832 OHMISSXXKWKAAL-ZHACJKMWSA-N 285.318 4.033 30 40 CIEB C=CCc1cccc(OCc2ccc(OC)cc2)c1 98210823 LGWWKQBCHIAJAE-UHFFFAOYSA-N 254.329 4.003 30 40 CIEB CCCCCCCCCCCCN1C(=O)N[N+](C)(C)C1=O 104187165 WODZYNDOKZMJFU-UHFFFAOYSA-O 298.451 4.044 30 40 CIEB Cc1ccc(/C=C2\C(=O)[C@@H]3CC[C@@]2(C)C3(C)C)cc1 5682327 IFRCODNIQRHSLF-KKPOOLQDSA-N 254.373 4.404 30 40 CIEB N#Cc1ccc(CNc2cc(Cl)ccc2Cl)cc1 19900491 SPCMZJGLVGEMKF-UHFFFAOYSA-N 277.154 4.477 30 40 CIEB Oc1c(/C=N/c2cccc(F)c2)ccc2ccccc12 32101567 JYGNOVYHTUMUPB-YBFXNURJSA-N 265.287 4.435 30 40 CIEB Cc1cc(C)c(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)c1 408589155 DCWVNODNYVPRIX-VCHYOVAHSA-N 298.342 4.071 30 40 CIEB CC(=O)Nc1ccc(/N=C/c2cccc(Cl)c2)cc1 342409 MIYSQORXFLKBAZ-LICLKQGHSA-N 272.735 4.049 30 40 CIEB C/C(=N\O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 16512249 GZJACJBTTNRDSM-LICLKQGHSA-N 263.381 4.185 30 40 CIEB N#Cc1ccc(-c2ccc(Br)s2)cc1 26896168 XZVRXWYTEUTNOC-UHFFFAOYSA-N 264.147 4.049 30 40 CIEB CN(C)c1ccc(/C=N/c2ccc(Cl)cc2)cc1 100369180 PWFDYJSIDJXQFU-GZTJUZNOSA-N 258.752 4.157 30 40 CIEB Cc1c(Cl)cccc1/N=C\c1ccc2c(c1)OCO2 104136537 QBMFUVVZAWMLSZ-IUXPMGMMSA-N 273.719 4.128 30 40 CIEB Cn1c(CSc2ccccc2)c(C#N)c2ccccc21 552999 XUTSPRNFWFULEQ-UHFFFAOYSA-N 278.380 4.342 30 40 CIEB N#Cc1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1 2512655 YSAOPMKVFKDLQY-UHFFFAOYSA-N 290.366 4.009 30 40 CIEB C[C@H]1CCC[C@H](C)N1/N=C/c1ccccc1Br 3302119 FJMJUGIZRLOEBE-ATARQRRYSA-N 295.224 4.046 30 40 CIEB C=C[C@](C)(O)C[C@H]1[C@@](C)(O)CC[C@H]2C(C)(C)CCC[C@@]21C 4028001 HTYVNKCNBDAITQ-PTIUUAQKSA-N 294.479 4.307 30 40 CIEB biogenic Cc1ccccc1/C=N/Nc1ncc(Cl)cc1Cl 7158290 NLMYNPXDZHRPAU-REZTVBANSA-N 280.158 4.143 30 40 CIEB C=CCOc1ccccc1/C=N/c1ccc(C)cc1 8371979 UNUTZSMDGWBSAY-QGOAFFKASA-N 251.329 4.310 30 40 CIEB C=CCN(C(=S)Nc1ccccc1)c1ccccc1 16138307 CHXFPMHOFHXJGK-UHFFFAOYSA-N 268.385 4.076 30 40 CIEB Fc1ccc(/N=C/c2ccc(N3CCCC3)o2)cc1Cl 59138699 AVNDSHDSRZXXJP-VCHYOVAHSA-N 292.741 4.423 30 40 CIEB N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccoc1 77687579 FDLVPXAHNIVJEP-UHFFFAOYSA-N 294.335 4.132 30 40 CIEB C=CCS/C(=N\c1ccccc1)N1CCCCC1 101653257 NUQUESNYEZALET-NXVVXOECSA-N 260.406 4.079 30 40 CIEB CCCCCCCCNCc1ccc([N+](=O)[O-])cc1 103034195 SIKGRBLFUFMKSW-UHFFFAOYSA-N 264.369 4.045 30 40 CIEB CC1=C[C@@H](/C=N/N2CCCCCC2)[C@H](C)N1c1ccccc1 104061768 BEVIUEVXBDDANT-IUXPWNOESA-N 297.446 4.277 30 40 CIEB COc1ccc(/N=C/c2ccc(Br)s2)cc1 51201 RPNOVDSVZIEADT-RIYZIHGNSA-N 296.189 4.270 30 40 CIEB CCCCCCCCCC(=O)Oc1ccc(C(=O)O)cc1 2572999 QTMHHQFADWIZCP-UHFFFAOYSA-N 292.375 4.431 30 40 CIEB CSc1ccc(/C=N/Nc2ccc(F)cc2F)cc1 5162385 DFCLSXXYSWOIBS-RQZCQDPDSA-N 278.327 4.133 30 40 CIEB O/N=C1\[C@H]2CC[C@H](C2)[C@@H]1N(c1ccccc1)c1ccccc1 5616803 IDLFGPRFKIVCEI-QUJDQHDRSA-N 292.382 4.453 30 40 CIEB N#Cc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)cc1 12911379 LJALMXFPSCQOGQ-GOSISDBHSA-N 280.346 4.034 30 40 CIEB Cc1ccc(C(=O)/C=C/Nc2ccc(C)cc2C)cc1 32100092 OXOQUUKSVKLTOH-ZHACJKMWSA-N 265.356 4.420 30 40 CIEB N#Cc1c(Cl)nc2c(c1-c1ccccc1Cl)CCC2 41465313 GCEKUXRKKXOHRR-UHFFFAOYSA-N 289.165 4.416 30 40 CIEB C=CCOc1cccc(NC(=O)Cc2ccc(C)cc2C)c1 224393979 ZLSLDLNEWZVDIE-UHFFFAOYSA-N 295.382 4.049 30 40 CIEB Cc1ccc(-c2oc(N)c(C#N)c2-c2ccccc2)cc1 408977514 WDRDYXNDUNWECB-UHFFFAOYSA-N 274.323 4.376 30 40 CIEB CCc1ccc(C(=O)/C=C/Nc2cc(C)ccc2O)cc1 208471 ORJIGUCWFCKIIL-ZHACJKMWSA-N 281.355 4.072 30 40 CIEB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C#N 2548368 GTHUVDGNMKVNDQ-UHFFFAOYSA-N 268.263 4.009 30 40 CIEB C=C(C)COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 5789400 WDTJQEMPJRFGQG-ZDLGFXPLSA-N 292.334 4.258 30 40 CIEB biogenic C=CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 8073536 SDVKTFFZAQEOTH-UHFFFAOYSA-N 287.746 4.157 30 40 CIEB N#Cc1cccnc1Oc1ccc(-c2ccccc2)cc1 12547090 SKAWQMWJTRMXSN-UHFFFAOYSA-N 272.307 4.413 30 40 CIEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\N1CCCc2ccccc21 36054895 AHAXJKCZZPBJCD-FIPAQZOBSA-N 295.426 4.348 30 40 CIEB O=C(/C=C/c1csc([N+](=O)[O-])c1)c1cc2ccccc2o1 53101855 NXBNNOBFZCDJIT-AATRIKPKSA-N 299.307 4.299 30 40 CIEB Cc1ccc(CSCCOc2ccc(C#N)cc2)cc1 69455483 UTVKSQANLQQPDF-UHFFFAOYSA-N 283.396 4.179 30 40 CIEB N#Cc1ccc2oc(-c3cccc(Br)c3)nc2c1 216838155 WIINCGOULXCISS-UHFFFAOYSA-N 299.127 4.129 30 40 CIEB Cc1ccc(C(=O)/C=C/Nc2ccccc2C)cc1 219085 RMYZRAPBWHYSPB-VAWYXSNFSA-N 251.329 4.112 30 40 CIEB O=C1/C(=C\c2ccc(F)cc2)Sc2ccccc21 12366747 IKDHXNGXOLUZNT-NTEUORMPSA-N 256.301 4.155 30 40 CIEB C[C@@H]1C[C@@H](c2ccccc2F)N(c2cccc(F)c2C#N)C1 95403345 DBLMFJRXCWDNFK-XIKOKIGWSA-N 298.336 4.424 30 40 CIEB COc1cccc(C(=O)/C=C\c2c(F)cccc2Cl)c1 211753599 MMSGUWLDEQRRPF-HJWRWDBZSA-N 290.721 4.384 30 40 CIEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N\O)cc21 223505136 SLPVFXZDVIIZOX-ZDLGFXPLSA-N 272.392 4.213 30 40 CIEB CC(C)(C#N)[C@H](OC(=O)c1ccccc1)c1ccccc1 501260 BNJQVPUJEJITJL-MRXNPFEDSA-N 279.339 4.134 30 40 CIEB CCCCCCC(=O)/C=C/c1ccc(OCOC)cc1 1559607 UTDHVFKQPRBPHU-DHZHZOJOSA-N 276.376 4.222 30 40 CIEB CCCCCCC[C@H](C)OC(=O)c1ccccc1C(=O)O 2080302 YLVIBFPYEJFLTO-ZDUSSCGKSA-N 292.375 4.291 30 40 CIEB CN(/C=C/C=C/C=[N+](\C)c1ccccc1)c1ccccc1 2539427 YMILDXYASPAXRR-UHFFFAOYSA-N 277.391 4.238 30 40 CIEB CCC/N=C(/Nc1ccc(Cl)cc1)c1cccnc1 4051862 BOKIQBSQHBOZAX-UHFFFAOYSA-N 273.767 4.004 30 40 CIEB N#Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1Cl 8313427 SZVGAEDOQHDRTN-UHFFFAOYSA-N 296.713 4.210 30 40 CIEB C[C@H]1CCC/C(=N\Nc2nc3ccccc3s2)C1 13146711 JJGOYBMRUHKVKA-ADHQNKHFSA-N 259.378 4.274 30 40 CIEB Oc1ccc(Cl)cc1/C=N/c1cc(Cl)ccc1O 16384786 NYDQXONONUJBKF-FRKPEAEDSA-N 282.126 4.155 30 40 CIEB CC[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC2=O 96327979 AZLYZQJFFGOZPA-AOIWGVFYSA-N 284.399 4.152 30 40 CIEB Cc1ccc(/C=N/c2oc(-c3ccccc3)cc2C#N)o1 100914385 KENXWPZJVCDBFU-YBFXNURJSA-N 276.295 4.470 30 40 CIEB O=C(/C=C/Nc1cccc(Cl)c1)c1cccs1 106586181 IFUTYWGFZWFIMM-VOTSOKGWSA-N 263.749 4.210 30 40 CIEB CCc1cccc2c(C#N)cn(Cc3ccc(F)cc3)c12 409203253 XDRBCMGNLVCAAL-UHFFFAOYSA-N 278.330 4.263 30 40 CIEB C=C(C)CCC[C@H](C)C[C@H](O)C#Cc1ccccc1 3845673 XOUGXHQLWBUWRZ-FUHWJXTLSA-N 256.389 4.172 30 40 CIEB biogenic CCCOc1ccc(C=[N+]([O-])c2ccc(C)cc2)cc1 4281041 BDTOSCZVXKKLLV-UHFFFAOYSA-N 269.344 4.045 30 40 CIEB O=C(/C=C/c1ccc(Cl)cc1Cl)c1cccnc1 5128262 GSUZIMIJGDPDAB-GQCTYLIASA-N 278.138 4.285 30 40 CIEB C[C@H]1CCC[C@H](C)N1/N=C/c1cccc2ccccc12 5517919 YUKJHTAIXMRILZ-KDEJXXTKSA-N 266.388 4.437 30 40 CIEB CC[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)N(C)C 6001863 HDWSNDWMFQNWKU-IBGZPJMESA-N 292.426 4.227 30 40 CIEB C/C(=N/N=c1/[nH]c(-c2ccccc2)cs1)c1cccs1 13132915 KEPULMVYCWUGHG-BOPFTXTBSA-N 299.424 4.130 30 40 CIEB CCCCCCCn1c([C@@H](C)O)nc2ccccc21 50704853 UZNPLHOAJAAIII-CYBMUJFWSA-N 260.381 4.060 30 40 CIEB CC1(C)[C@H]2CC[C@H]3C[C@@H](CCC#N)CC[C@H]3[C@@]21C#N 102970623 CTCLHILTZWHHQS-XGYYKPKNSA-N 256.393 4.282 30 40 CIEB C[C@H]1CCc2c(sc(/N=C/c3ccc(O)cc3)c2C#N)C1 295572 BVNHQBCSENFMEM-VSMYLPJWSA-N 296.395 4.201 30 40 CIEB Cc1cc(C)c2nc(S[C@@H](C)C#N)cc(C)c2c1 12644656 SNFJQZYBKKSSHA-LBPRGKRZSA-N 256.374 4.164 30 40 CIEB CCCC[C@](C)(CN(C)C)C(=O)/C=C\c1ccccc1 17109339 SZJDJHCRIWFKTF-MENFKHAKSA-N 273.420 4.027 30 40 CIEB Cc1ccc(/C=N/C23CC4CC(CC(C4)C2)C3)cc1 18011013 ZIXNNHAEEXZXRN-XDHOZWIPSA-N 253.389 4.383 30 40 CIEB N#Cc1ccc(C(=O)/C=C/C=C/c2ccccc2)cc1 48345189 OYQDDKKQVASKJH-KBXRYBNXSA-N 259.308 4.011 30 40 CIEB CCCCCCCC[S@](=O)CCCCCCCO 100244449 BABCCTBTFJDTML-GOSISDBHSA-N 276.486 4.038 30 40 CIEB O/N=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 100468482 OIAXIGUMTSUKII-ZDLGFXPLSA-N 297.745 4.001 30 40 CIEB N#CCSCCCSc1nc(-c2ccccc2)co1 195112333 UGLXSJQADVVEGS-UHFFFAOYSA-N 290.413 4.081 30 40 CIEB CC(C)(C)CC(C)(C)c1ccc(OC[C@@H]2CO2)cc1 4200484 ZYUNNPAOYLRRFE-OAHLLOKOSA-N 262.393 4.178 30 40 CIEB Cc1[nH]c2ccccc2c1/C=N/NCc1ccc(Cl)cc1 10118861 DNZIRZYUGNPYCV-RGVLZGJSSA-N 297.789 4.253 30 40 CIEB CN/C(=N/c1ccc(C(F)(F)F)cc1)c1ccccc1 25539652 UDKTUXIFDKWWNO-UHFFFAOYSA-N 278.277 4.003 30 40 CIEB O/N=C(\Cl)c1c2ccccc2cc2ccccc12 4716325 HNCKUONLZVGZKH-ICFOKQHNSA-N 255.704 4.368 30 40 CIEB in-vitro Cc1cc2c(cc1C)/C(=N/c1ccccc1)NC(C)(C)C2 18066946 ODZSDNLJEAVVOE-UHFFFAOYSA-N 278.399 4.306 30 40 CIEB N#Cc1ccc(-c2nc3ccccc3o2)cc1Cl 41127216 CSMRRDSFBYDAPR-UHFFFAOYSA-N 254.676 4.020 30 40 CIEB CC(C)Sc1ccccc1C(=O)[C@@H](C#N)c1ccccn1 78556508 BDDUCQHBRNNGHR-AWEZNQCLSA-N 296.395 4.072 30 40 CIEB CC(=O)Nc1ccc(/N=C/c2ccc(Cl)s2)cc1 408964700 FGSSZIMPWZKPNV-OVCLIPMQSA-N 278.764 4.111 30 40 CIEB CCc1c(C)sc(NC(=O)Nc2ccc(C)cc2)c1C#N 1002067 LPQNRQWIOWRGCG-UHFFFAOYSA-N 299.399 4.443 30 40 CIEB C=CCNc1nc(-c2ccc(C)cc2)nc2ccccc12 1775396 QWKKFHKFUHOYQL-UHFFFAOYSA-N 275.355 4.203 30 40 CIEB CC(C)Oc1ccc(C(=O)/C=C/c2ccccc2)cc1 4539021 WXCNRTHENKEUEO-MDWZMJQESA-N 266.340 4.370 30 40 CIEB CC(C)(C)C(=O)Nc1sc2c(c1C#N)CCCCCC2 5900827 AABSXXIIENKUGJ-UHFFFAOYSA-N 290.432 4.263 30 40 CIEB CC[C@@H](C)c1ccccc1NC(=O)C1(C#N)CCCC1 14014572 UFOJUQMISOORFI-CYBMUJFWSA-N 270.376 4.223 30 40 CIEB CCCCCCC(=O)/C=C/c1ccc([N+](C)(C)C)cc1 16954845 NEWYDYDUNYVRGS-NTCAYCPXSA-N 274.428 4.436 30 40 CIEB COc1cccc(/C=N/c2c(C)cccc2Cl)c1O 44835941 QQLQJIDPGWAQMJ-RQZCQDPDSA-N 275.735 4.113 30 40 CIEB Cc1ccc(/N=C/c2cc(Cl)ccc2O)c(F)c1 100037553 RWVQMQYYYLEQCF-CAOOACKPSA-N 263.699 4.244 30 40 CIEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(C(C)=O)cc1)C2 1462906 GZRSFDHLYNQBBT-KXBFYZLASA-N 297.398 4.210 30 40 CIEB CCCCCCCCOc1ccc(C(=O)O)cc1F 1898645 SQVFTDZEUGEJTQ-UHFFFAOYSA-N 268.328 4.263 30 40 CIEB in-vitro C#C[C@@](C)(CCC=C(C)C)O[C@@H](C)OCCCC 2299691 YGBFMTSZTTYHNR-HOTGVXAUSA-N 252.398 4.304 30 40 CIEB C/C(=N\c1ccc(Br)cc1)c1ccccc1O 4567319 FWESZTWIGWLWBB-MHWRWJLKSA-N 290.160 4.295 30 40 CIEB C/C(CCc1ccccc1)=N\Nc1ccc([N+](=O)[O-])cc1 12588409 WXGKQPYTDZIIRX-GHRIWEEISA-N 283.331 4.015 30 40 CIEB O=C(/C=C/N(O)c1ccccc1)c1ccc2c(c1)CCCC2 13405296 RXINRLKNWGCXDB-OUKQBFOZSA-N 293.366 4.158 30 40 CIEB O=C1C[C@@H](c2ccco2)CC2=C1C=C1C2=Nc2ccccc21 17009754 QUDTWVXOTVEHAS-NSHDSACASA-N 287.318 4.206 30 40 CIEB [N-]=[N+]=Nc1cccc2c(I)cccc12 33753202 QRSSXGBNBDDPGC-UHFFFAOYSA-N 295.083 4.386 30 40 CIEB CCCCc1ccc(Nc2ccc(C#N)cc2N)cc1 35674739 KDMBDVMWBLFEBF-UHFFFAOYSA-N 265.360 4.227 30 40 CIEB CCCCCCCCN[C@H]1CCCCCC/C1=N\O 100927958 AYSITRWIRNLLGZ-DUPDJQDOSA-N 268.445 4.490 30 40 CIEB CO/C=N/c1ccc(/N=N/c2cc(C)ccc2O)cc1 101132037 IOJXWYSAFSIHPU-WKOYBBDISA-N 269.304 4.422 30 40 CIEB CC[C@H](C(=O)c1cccc(F)c1C#N)c1ccccc1 575361808 MMXFQUBKYBEKJV-ZDUSSCGKSA-N 267.303 4.074 30 40 CIEB CC1(C)C[C@H]([C@@H](CC#N)c2ccc(F)cc2)CCO1 171691 DIWYBBYYGVJQJO-HIFRSBDPSA-N 261.340 4.028 30 40 CIEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(C(C)=O)cc1)C2 488312 GZRSFDHLYNQBBT-DNVCBOLYSA-N 297.398 4.210 30 40 CIEB O=C1/C(=C/c2cccs2)CCc2c1[nH]c1ccccc21 29764036 OOTDWOVLYAEOIL-ZHACJKMWSA-N 279.364 4.442 30 40 CIEB CC(C)(C)c1nc(C#N)c(Sc2ccc(F)cc2)o1 80344600 XRYVVSFTFOUYKN-UHFFFAOYSA-N 276.336 4.134 30 40 CIEB COc1nc2ccccc2cc1/C=C/C(=O)c1cccs1 95978472 OFOFBPNPNYQWLP-CMDGGOBGSA-N 295.363 4.201 30 40 CIEB Cc1c(Cl)cccc1NC(=O)O/N=C(/Cl)C(C)C 100080048 CXGCMKJRHJKJDK-LFIBNONCSA-N 289.162 4.405 30 40 CIEB CCCCCCCNCc1cccc(OC)c1OCC 100126187 WUTHLACRUJXOLE-UHFFFAOYSA-N 279.424 4.154 30 40 CIEB Cc1oc(/N=C/c2c(C)n(C)c3ccccc23)c(C#N)c1C 409147470 WVEITXJOEYNIPP-KEBDBYFISA-N 291.354 4.319 30 40 CIEB Cc1ccc(C/N=C(\S)NC2CCCCC2)cc1C 6488094 UGKGIEKXBDNJPE-UHFFFAOYSA-N 276.449 4.012 30 40 CIEB CCCCCCC(=O)/C=C\c1cc(OC)cc(OC)c1 17123699 VRPQSBZDAUTSKR-KTKRTIGZSA-N 276.376 4.257 30 40 CIEB CC(C)c1ccc(C#C[C@@](C)(O)c2ccccc2)cc1 95633104 OHRAFPQDYGEAOS-LJQANCHMSA-N 264.368 4.069 30 40 CIEB CC[C@@H](C)C[C@](C)(O)C#Cc1cc(F)cc(Cl)c1 95633304 OIKCGOIQYTUMGP-IAQYHMDHSA-N 268.759 4.018 30 40 CIEB Oc1ccc2ccccc2c1/C=N\c1ccc(Cl)cn1 100457822 MBTVWUYRVPSNKS-GRSHGNNSSA-N 282.730 4.344 30 40 CIEB CO/C=N/c1ccc(/N=N\c2cc(C)ccc2O)cc1 104208112 IOJXWYSAFSIHPU-AIWBPWRQSA-N 269.304 4.422 30 40 CIEB Clc1ccc(/C=N/N2CCCCCC2)c(Cl)c1 17004849 WYMKISIWQJPKOC-MHWRWJLKSA-N 271.191 4.203 30 40 CIEB COc1ccc(/C=N/C23CC4CC(CC(C4)C2)C3)cc1 18068012 CIJYMDAJQWMQSG-XDHOZWIPSA-N 269.388 4.083 30 40 CIEB COc1ccc(Cl)cc1N/C=C1\CCCCCC1=O 33700109 YPBZIABRMUPJOO-ZHACJKMWSA-N 279.767 4.178 30 40 CIEB O/N=C\c1c(OCc2ccccc2)ccc2ccccc12 100250062 GODSLXIRMVBKLE-UNOMPAQXSA-N 277.323 4.227 30 40 CIEB Cc1cccc(/N=C\c2ccc(N3CCCC3)cc2)c1 408960488 MFDHMESBHKAONF-RGEXLXHISA-N 264.372 4.346 30 40 CIEB COc1cc(OC)c(/N=C/c2ccc(F)cc2)cc1Cl 2147251 XBJFQXCRROQJOG-GIJQJNRQSA-N 293.725 4.247 30 40 CIEB C[C@H](C#N)Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1 5219885 NUSMMXBZPSULMQ-SNVBAGLBSA-N 287.388 4.038 30 40 CIEB O=C(/C=C/c1ccccc1F)c1cccc(Cl)c1 7743228 HYXMAMXCRDQVBC-CMDGGOBGSA-N 260.695 4.375 30 40 CIEB N#CCCCCCOc1cccc(Cl)c1Cl 95738563 KREKYQPJXBLAGI-UHFFFAOYSA-N 258.148 4.456 30 40 CIEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/Nc1ccccc1)C=C2O 100363493 SGPKIYNXUCMLNP-UYFJIRQKSA-N 270.376 4.353 30 40 CIEB Cc1cc(C#N)cc(C)c1OC(=O)c1cccc(Cl)c1 256054640 XDTAIUDWRWKNMX-UHFFFAOYSA-N 285.730 4.048 30 40 CIEB C/C=C/C(=O)c1ccc(Br)c(C(F)(F)F)c1 309314980 NKDOBIHGTADJPT-NSCUHMNNSA-N 293.082 4.227 30 40 CIEB C[C@H]1C/C(=N\Nc2nc3ccccc3[nH]2)CC(C)(C)C1 13146594 HRUQJEMPKUEBKE-QMDUKARKSA-N 270.380 4.177 30 40 CIEB COc1cccc(-c2[nH]c3ccc(Cl)cc3c2C#N)c1 19724811 VYCSPSCKCQYGEZ-UHFFFAOYSA-N 282.730 4.369 30 40 CIEB N#Cc1cccnc1Nc1cccc(Cl)c1Cl 21817398 CJJUQIHQCSVEAX-UHFFFAOYSA-N 264.115 4.004 30 40 CIEB in-vitro Cc1ccc(C(=O)/C=C/c2csc(-c3ccccn3)n2)o1 44026261 PQUVTZLHLPBHEJ-VOTSOKGWSA-N 296.351 4.003 30 40 CIEB C(#CC1=CCCCC1)CN1CCCC[C@H]1c1cccnc1 55243435 LDCHKIYGVZBRRG-IBGZPJMESA-N 280.415 4.112 30 40 CIEB biogenic CC(C)c1ccc(C[S@@](=O)Cc2ccc(C#N)cc2)cc1 78288840 PRQNQPFACIFWCQ-OAQYLSRUSA-N 297.423 4.131 30 40 CIEB CCCCCC[C@](C)(O)C#Cc1cccc(C)c1C 95632043 RFDOKUBBUPYHOK-SFHVURJKSA-N 258.405 4.376 30 40 CIEB c1ccc2c(c1)CC/C2=N/Nc1nc2ccccc2s1 102948530 VFVLLFIUTIZUIT-AQTBWJFISA-N 279.368 4.059 30 40 CIEB Oc1ccc(Cl)cc1/C=N\c1ccccc1Cl 103011211 TUBGPPLDRPYMAQ-PXNMLYILSA-N 266.127 4.450 30 40 CIEB COc1ccc(C/N=C/c2ccc3ccccc3c2O)cc1 409063713 BIWRKSPIBQTRSY-DEDYPNTBSA-N 291.350 4.173 30 40 CIEB C/C(=C\C(=O)c1ccc(C)o1)Nc1ccc(F)c(F)c1 409347414 PQHPVQFOYZTQAY-VQHVLOKHSA-N 277.270 4.065 30 40 CIEB C=C(Br)Cc1cccc(OC(F)(F)F)c1 1848444261 MBRUFXWIHXNNAX-UHFFFAOYSA-N 281.071 4.036 30 40 CIEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(C)cc1)C2 1462905 ABHRTSZRXZVMIQ-KSSFIOAISA-N 269.388 4.316 30 40 CIEB C/C(=N\Nc1nc2ccccc2[nH]1)c1ccc(C)c(C)c1 6210393 XUAOBKAMEOJNBA-DEDYPNTBSA-N 278.359 4.016 30 40 CIEB O=C(/C=C/c1ccc(Cl)s1)c1ccc(F)cc1 12971681 MUJPAMSYEUWRGO-FNORWQNLSA-N 266.724 4.437 30 40 CIEB Fc1ccccc1/C=N/C12CC3CC(CC(C3)C1)C2 18020555 ONMZAGWXFQFZDW-YBFXNURJSA-N 257.352 4.213 30 40 CIEB CCCN(CC#Cc1ccc(C(C)(C)C)cc1)CCC 95631504 HBRKHKFHXDIMAB-UHFFFAOYSA-N 271.448 4.458 30 40 CIEB N#Cc1cccc(NC(=O)/C=C/c2cccc3ccccc23)c1 46521 BVJFDEPYRMFHTD-VAWYXSNFSA-N 298.345 4.363 30 40 CIEB O=C1C(Br)=C(c2ccccc2)c2ccccc21 4273539 CJOWXJUZHXADJV-UHFFFAOYSA-N 285.140 4.037 30 40 CIEB biogenic C=C(Br)Cc1ccc(F)c2ccccc12 95727305 BOZLAAGHRRPAGN-UHFFFAOYSA-N 265.125 4.430 30 40 CIEB Cc1ccc(-c2cc(=O)c3cc(C)c(C)c(C#N)c3o2)cc1 1588828 HRKHXZUUHDUQCA-UHFFFAOYSA-N 289.334 4.257 30 40 CIEB C/C(=N\Nc1nc2ccccc2s1)c1ccc(C)cc1 4474899 YORUQFAJOBESTQ-LDADJPATSA-N 281.384 4.441 30 40 CIEB Cc1cccc(/C=N/c2ccc(N3CCCCC3)cc2)c1O 6268230 CEUVIGKKQWEGNB-XSFVSMFZSA-N 294.398 4.442 30 40 CIEB O=C(/C=C/c1cccc(C(F)(F)F)c1)c1cccc(O)c1 8322401 IMPKEYTTWYLUPV-BQYQJAHWSA-N 292.256 4.307 30 40 CIEB Fc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1 9195762 GFLZDAMZZGWCDC-QGMBQPNBSA-N 297.160 4.256 30 40 CIEB C/C(C[C@@H](c1ccccc1)N1CCc2ccccc2C1)=N/O 95567695 YASSBQUIPOISHI-RVPSJEOCSA-N 294.398 4.026 30 40 CIEB CCCCCC[C@@](C)(O)C#Cc1cc(Cl)ccc1OC 95631546 DFNBKKLSPRYKDY-QGZVFWFLSA-N 294.822 4.422 30 40 CIEB Fc1c(C(F)(F)F)ccc(C(F)(F)F)c1F 100975007 PNOYZOCIRIBZSK-UHFFFAOYSA-N 250.088 4.002 30 40 CIEB in-vitro C#CCOc1ccc(CNc2ccc(F)c(Cl)c2)cc1 408613109 XLUHVECNSHSXDM-UHFFFAOYSA-N 289.737 4.103 30 40 CIEB O=C1/C(=C/c2ccccc2OC(F)F)Cc2ccccc21 5128852 MVKZWKSYYKNTDC-JLHYYAGUSA-N 286.277 4.110 30 40 CIEB O/N=C1/CCCCCCCCCC[C@@H]1N1CCCC1 5621501 YPUQSFAZBHQHLM-SCDSTIRESA-N 266.429 4.196 30 40 CIEB N#Cc1cccc(COC(=O)c2cc3ccccc3s2)c1 7412976 DTYSFLNBERHVBE-UHFFFAOYSA-N 293.347 4.130 30 40 CIEB N#Cc1cccc(OCc2cccc3ccccc23)c1 7441535 SRXNVBWHFDOWFT-UHFFFAOYSA-N 259.308 4.290 30 40 CIEB C=CCSc1nc2ccccc2n1C(=O)SCC 8654010 AQCRNBJZWUFRQN-UHFFFAOYSA-N 278.402 4.036 30 40 CIEB CC[C@@H](C)C[C@](C)(O)C#Cc1ccc(C)c(Cl)c1 95631613 FQUBEVQXHSDUSX-MLGOLLRUSA-N 264.796 4.187 30 40 CIEB CC[C@@H](C)C[C@](C)(O)C#Cc1ccc(Cl)c(C)c1 95631663 VCRVBZRNSVSZPL-MLGOLLRUSA-N 264.796 4.187 30 40 CIEB O=C(/C=C/C(Cl)(Cl)Cl)c1ccc(Cl)cc1 158125 ZBZHSFZLHPVIEA-AATRIKPKSA-N 283.969 4.449 30 40 CIEB CC1=NN([C@@H](C#N)c2ccccc2)[C@H](c2ccccc2)C1 520086 HGBQDGFEQHUTSS-ROUUACIJSA-N 275.355 4.074 30 40 CIEB Cc1ccc(/C=N/c2ccc(F)c(F)c2F)s1 3233480 RIGSQJQBWLMSNU-OMCISZLKSA-N 255.264 4.224 30 40 CIEB N#Cc1ccc(NC(c2ccccc2)c2ccccc2)nc1 24528655 KYVRWFSJYOFBSW-UHFFFAOYSA-N 285.350 4.155 30 40 CIEB COc1ccccc1/N=C/c1ccc(N2CCCCC2)cc1 197852356 ZCXVJVNWQZKQNR-HMMYKYKNSA-N 294.398 4.436 30 40 CIEB COc1ccc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc1 408930733 BHRGLSDSCTZSMU-GRSHGNNSSA-N 294.276 4.160 30 40 CIEB CC1(C)[C@@H](CC#N)C[C@H]1C(=O)/C=C/c1ccc(Cl)cc1 4812521 GZCCKKFHHIHENT-MNOINKQASA-N 287.790 4.498 30 40 CIEB Cc1ccc(C(=O)/C=C\Sc2ccccn2)c(C)c1 5394289 KFBSBDGDSZVPGW-NTMALXAHSA-N 269.369 4.187 30 40 CIEB N#C[C@]1(c2nc3ccccc3[nH]2)C[C@@H]1c1ccc(Cl)cc1 6694766 PCVKOQHRZTUEFR-CXAGYDPISA-N 293.757 4.165 30 40 CIEB CCCOc1ccc(/C=C/C(=O)c2ccc(C#N)cc2)cc1 8474379 ZJWKCMZPCRCDBE-KPKJPENVSA-N 291.350 4.243 30 40 CIEB CCCCC[C@@H](CN(C)C)C(=O)/C=C\c1ccc(C)cc1 17127553 LITJQCLCLXFLBN-HWOXTHGCSA-N 287.447 4.335 30 40 CIEB COc1cc(CC/C(C)=N/O)ccc1OCc1ccccc1 17146862 HGWXUPYYSSQFKD-XMHGGMMESA-N 299.370 4.057 30 40 CIEB C[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 40103400 AITBQELQUXTAAJ-LLVKDONJSA-N 299.761 4.094 30 40 CIEB C=C(Br)Cc1ccc(Cl)c(Cl)c1 63457945 BLXOGYOWQYDEHQ-UHFFFAOYSA-N 265.965 4.445 30 40 CIEB Cc1ccc(/N=C(/c2ccccc2)n2nc(C)cc2C)cc1 101556904 PYOSQEGOVUFDNP-VXPUYCOJSA-N 289.382 4.435 30 40 CIEB CC1=C(c2ccccc2)[C@H](c2ccccc2)[C@@H](C)C1=O 1757668 FPMNYEMWMGKIKG-DYVFJYSZSA-N 262.352 4.463 30 40 CIEB Cc1cc(C)c(C#N)c(Nc2cccc3ccccc23)n1 6233024 QUIQUFKMLOHFTK-UHFFFAOYSA-N 273.339 4.467 30 40 CIEB CCCc1ccc(/C(C)=N/Nc2ccc(C(=O)O)cc2)cc1 13263892 LFSJZXIRNDPFTA-CPNJWEJPSA-N 296.370 4.173 30 40 CIEB COc1ccc(N/C=C2\C(=O)[C@@]3(C)CC[C@H]2C3(C)C)cc1 100367291 GGNDKYIEESZQFH-SSEPWQBHSA-N 285.387 4.016 30 40 CIEB C=CCSc1ccccc1C(=O)NCc1ccc(C)cc1 219799922 NMWOUJQJXZTXIU-UHFFFAOYSA-N 297.423 4.203 30 40 CIEB Cc1oc2ccccc2c1/C=N/c1cccc([N+](=O)[O-])c1 437335 OPULYRTXIKIEDW-LICLKQGHSA-N 280.283 4.400 30 40 CIEB C=C(Br)CSc1nc2ccccc2s1 1473061 FSYVOLZYQSRAGM-UHFFFAOYSA-N 286.219 4.297 30 40 CIEB C=CC[C@H]1C=C(Cc2ccccc2)C[C@@H](CC=C)N1 4141397 PFOAIMHDKWUDIQ-ZWKOTPCHSA-N 253.389 4.038 30 40 CIEB CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1 5159554 WNRLHNGHSPYHMF-WCIBSUBMSA-N 299.757 4.195 30 40 CIEB C#CCn1c([C@H](C)Oc2cccc(C)c2)nc2ccccc21 9184749 HYDSRECVZUPCRN-HNNXBMFYSA-N 290.366 4.118 30 40 CIEB CC(/C=C/c1ccc(F)cc1)=N/Nc1ccccc1 28627804 DMDPYZFVGJQAFU-JZYRRUABSA-N 254.308 4.327 30 40 CIEB C=CCn1cc(/C=N/Nc2ccccc2)c2ccccc21 409226222 PXISEWQZDRGUMU-CPNJWEJPSA-N 275.355 4.273 30 40 CIEB COc1ccc(C[C@H](C#N)c2ccc(Cl)cc2)cc1 5640025 AILTUCAOQVQFQZ-CQSZACIVSA-N 271.747 4.198 30 40 CIEB N#Cc1ccccc1CSc1nnc(C2CCCCC2)o1 7415606 FSWLEKPDBVYCQR-UHFFFAOYSA-N 299.399 4.281 30 40 CIEB COc1cc(/C=N/c2cccc(Cl)c2C)ccc1O 59513758 JRRGWCKZGZNVEC-RQZCQDPDSA-N 275.735 4.113 30 40 CIEB CCCC[C@@H](CC)[C@@H](O)C#Cc1ccc(C)cc1C 95633511 WWFYUDGVECMPJY-AEFFLSMTSA-N 258.405 4.232 30 40 CIEB CCCCCCCCCOC(=O)c1ccc(N)cc1 101005189 KKGIDNSPWHBLLE-UHFFFAOYSA-N 263.381 4.176 30 40 CIEB CCCCCCCC(=O)O[C@H](C)CC[C@@H]1CCCO1 104053417 WWOBNXKJYPLNNL-CABCVRRESA-N 270.413 4.238 30 40 CIEB CCOc1ccccc1/N=C\c1cc(C)n(CC)c1C 409073155 XSWPCNMXWAXEGH-PDGQHHTCSA-N 270.376 4.274 30 40 CIEB CSc1ccc(CCC(=O)c2ccccc2C#N)cc1 2516648 MXIOAZGZJQHGIC-UHFFFAOYSA-N 281.380 4.096 30 40 CIEB Cc1ccc(SC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 2570909 STWGKBAITJADNV-WEVVVXLNSA-N 298.363 4.056 30 40 CIEB CCOc1ccc(N/C=C/C(=O)c2cccc(C)c2)cc1 2794371 ROHVMFIIVIIRRU-VAWYXSNFSA-N 281.355 4.202 30 40 CIEB COc1ccc(C(=O)/C=C/c2c[nH]c3ccccc23)cc1 4027470 BMNUDXIDFCLLMM-DHZHZOJOSA-N 277.323 4.073 30 40 CIEB biogenic C=CCSc1ncnc2c1sc1nc(C)cc(C)c12 4334934 BWOJJOVGTYKUPQ-UHFFFAOYSA-N 287.413 4.134 30 40 CIEB Cc1ccc(NC2=CC(=O)C[C@H](c3ccco3)C2)cc1 4599766 ZAYDBYVDZJLMHT-CYBMUJFWSA-N 267.328 4.031 30 40 CIEB C/C(=C\C(=O)c1ccc(F)cc1)Nc1ccc(F)c(C)c1 6281171 IPKXABQRCJFCRS-ZRDIBKRKSA-N 287.309 4.472 30 40 CIEB C=CCOc1ccc(CNc2ccc(C)c(C)c2)cc1 6332721 REWXMMJBXBUBKP-UHFFFAOYSA-N 267.372 4.480 30 40 CIEB C=C(C)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 13654504 QVGIRCCAYPQEMP-SXGWCWSVSA-N 298.363 4.319 30 40 CIEB N#CCc1c(Cl)ccc(C(F)(F)F)c1Cl 71867300 JEZHSZBBCOUAKH-UHFFFAOYSA-N 254.038 4.078 30 40 CIEB C=CCc1cccc(/C=N/c2ccc3ncccc3c2)c1O 101332561 VHEXWZRNMORYEG-FYJGNVAPSA-N 288.350 4.420 30 40 CIEB COc1ccc(/N=C/c2ccc(Br)cc2)cc1 576523 XCAINEZOQZLEKJ-MHWRWJLKSA-N 290.160 4.208 30 40 CIEB Oc1ccccc1/C=N\c1cccc(C(F)(F)F)c1 17429034 CZMNFSJFHBHPIQ-NVMNQCDNSA-N 265.234 4.162 30 40 CIEB COc1cccc(/N=C\c2c(O)ccc3ccccc23)c1 96006202 FWROWVXHYHSYTO-UNOMPAQXSA-N 277.323 4.305 30 40 CIEB CCN(CC)c1ccc(/C=N/c2cccc([N+](=O)[O-])c2)cc1 356406 VNYQCHGCXMPKAE-QGOAFFKASA-N 297.358 4.192 30 40 CIEB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 6279905 BUBKYHHYGUMLHF-VQHVLOKHSA-N 287.702 4.144 30 40 CIEB N#CC1(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 222943464 UIJDIGFKAWIJTD-UHFFFAOYSA-N 296.757 4.147 30 40 CIEB Cc1ccc(NC2=CC(=O)C[C@@H](c3ccco3)C2)cc1C 408751568 ZMIZFLFSRGILQA-AWEZNQCLSA-N 281.355 4.339 30 40 CIEB N#Cc1ccccc1CSc1nc2ccc(Cl)cc2[nH]1 5113977 VYWZRWHOASXUHL-UHFFFAOYSA-N 299.786 4.380 30 40 CIEB C[C@@](O)(C#CC12CC3CC(CC(C3)C1)C2)c1cccs1 5722441 SAYNBEKCBGXMLK-UFPBRMSXSA-N 286.440 4.175 30 40 CIEB CCOc1cccc(N/C=C/C(=O)c2ccc(C)cc2)c1 6223536 KPNXKQBAPXQGAW-VAWYXSNFSA-N 281.355 4.202 30 40 CIEB CCc1ccc(/C=C2/CCc3cc(OC)ccc3C2=O)cc1 33502517 RAWQWKAHUOZUFJ-ATVHPVEESA-N 292.378 4.470 30 40 CIEB C=CCOc1ccc(NC(=O)c2cc(C)c(C)cc2C)cc1 225647458 LTYFRLXHEZXZMG-UHFFFAOYSA-N 295.382 4.429 30 40 CIEB C=CCNC(=O)c1ccc(CSCc2ccccc2)cc1 408773847 JHZCRJKSAYSRRQ-UHFFFAOYSA-N 297.423 4.036 30 40 CIEB O=C(c1cc(C(F)(F)F)ccc1C(F)(F)F)C(F)F 575242969 OQVYZSMSKSFMFP-UHFFFAOYSA-N 292.125 4.172 30 40 CIEB Cc1nn(C)c(C)c1/N=C/c1ccc(Cl)cc1Cl 2741524 JXBSRTLYRXYGNN-FRKPEAEDSA-N 282.174 4.094 30 40 CIEB C=CC[C@H](Nc1ccccc1)c1cccc(OC)c1OC 3882505 DTRMJXFQFKQCHY-INIZCTEOSA-N 283.371 4.433 30 40 CIEB N#Cc1ccc(OC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 5576911 LBLVSJYDJCMARJ-UHFFFAOYSA-N 295.382 4.070 30 40 CIEB C=C[C@H](c1ccccc1)c1cc(OC)c(OC)cc1OC 13431259 IUHZDNVFBOTZHT-CQSZACIVSA-N 284.355 4.030 30 40 CIEB biogenic CCc1ccc(C(=O)/C=C/Nc2ccccc2F)cc1 409092036 XCXDQCDNPPWNPK-VAWYXSNFSA-N 269.319 4.197 30 40 CIEB Cc1ccc(C)c(N/C=C/C(=O)c2cccs2)c1 409353776 RJWTWUUCEKAKEG-BQYQJAHWSA-N 257.358 4.173 30 40 CIEB Cc1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 344805 SCPCCCIQWFOTQV-CXUHLZMHSA-N 274.707 4.307 30 40 CIEB C=CCOc1ccc(/C=N/c2ccc(C)cc2C)c(O)c1 2490086 NFAAQCMKBLJYKN-XDHOZWIPSA-N 281.355 4.324 30 40 CIEB c1ccc(-c2ccc(-c3ccccc3)n2C[C@H]2CO2)cc1 4113383 ZBSFHXLOJXKJSR-KRWDZBQOSA-N 275.351 4.221 30 40 CIEB C[C@@H](C[C@H](C#N)N(C)c1ccccc1)CC(C)(C)C 4365748 UECPHRXRENSFNH-GOEBONIOSA-N 258.409 4.477 30 40 CIEB CC1(C)CC(=O)C=C(Nc2ccc(OC(F)(F)F)cc2)C1 5190394 RGMNYOSFPWUYDC-UHFFFAOYSA-N 299.292 4.270 30 40 CIEB CCCC(=O)Nc1ccc(/N=C/c2cccc(C)c2O)cc1 5950946 DRDARTNROKQMMI-XDHOZWIPSA-N 296.370 4.190 30 40 CIEB Cc1cc(C)nc(NN=C2CCC(c3ccccc3)CC2)n1 6566482 KQXZBJTXPPVBIF-UHFFFAOYSA-N 294.402 4.219 30 40 CIEB CCc1ccc(C(=O)/C=C/c2cccc(OC)c2OC)cc1 8322482 KEQWDIRCIZGOCJ-OUKQBFOZSA-N 296.366 4.162 30 40 CIEB Cc1ccc(/C=C2\Sc3ccccc3C2=O)cc1 12366746 AQCHDONPPMMUFP-GDNBJRDFSA-N 252.338 4.325 30 40 CIEB O=C1C=C[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C=C1 13407213 XODKHBBNAGXRQK-HJLBWTBNSA-N 284.358 4.205 30 40 CIEB CCCC[C@@H](CC)[C@H](O)C#Cc1ccc(C)cc1C 95633509 WWFYUDGVECMPJY-SJLPKXTDSA-N 258.405 4.232 30 40 CIEB O=C(/C=C/c1cccc(F)c1)c1nc2ccccc2s1 7335885 SZZVYSSHSXCNAU-CMDGGOBGSA-N 283.327 4.332 30 40 CIEB COc1ccc(/C=N/C23CC4CC(CC(C4)C2)C3)cc1OC 12371172 SKSOGVQDJXWULT-UDWIEESQSA-N 299.414 4.092 30 40 CIEB CCOc1cc(C)c(/C=N\Nc2ccccn2)cc1C(C)C 408857922 QEONFNZTHDJFSR-NDENLUEZSA-N 297.402 4.358 30 40 CIEB O=C1/C(=C\c2ccc(Cl)cc2)Cc2ccccc21 104796 WCCMOJFVRKHFBN-LCYFTJDESA-N 254.716 4.162 30 40 CIEB Cc1c(C#N)c2ccccc2n1CCOc1ccc(F)cc1 555459 QGAIQHSPGBLLPZ-UHFFFAOYSA-N 294.329 4.040 30 40 CIEB CCCCCCCCCOc1ccc(C(=N)N)cc1 2573000 HJPOQKIVHJQKOD-UHFFFAOYSA-N 262.397 4.100 30 40 CIEB Cc1cccc(N/C(S)=N\Nc2cccc(Cl)c2)c1 3313802 PJZGRDDOJVSFTI-UHFFFAOYSA-N 291.807 4.373 30 40 CIEB CCOc1ccc(/C=C/C(=O)c2ccc(OCC)cc2)cc1 4674794 MORPXEJCAQCOOK-VGOFMYFVSA-N 296.366 4.380 30 40 CIEB biogenic C[C@@H]1C/C(=N\Nc2cccc([N+](=O)[O-])c2)CC(C)(C)C1 4979852 ZVFKKCFKQGKEHB-MUOMHZFWSA-N 275.352 4.209 30 40 CIEB Cc1ccc(N/N=C/c2c(O)ccc3ccccc23)cc1 5339536 SLDGFDSHLCZSKQ-XDHOZWIPSA-N 276.339 4.300 30 40 CIEB CCOc1ccc(/C=N/c2cccc(C)c2C)cc1OC 6964105 UYPWMKRMKGUZRS-XDHOZWIPSA-N 283.371 4.461 30 40 CIEB C=CC[N+](C)(C)C/C(Cl)=C(\Cl)c1ccccc1 13110946 PRPSYHRWRTXWGT-BUHFOSPRSA-N 271.211 4.095 30 40 CIEB Cc1ccc(/N=C2/SCC(=O)N2c2ccc(C)cc2)cc1 13563614 FABLBZKZFNQMGH-ISLYRVAYSA-N 296.395 4.071 30 40 CIEB CCc1ccc(/N=C/c2cc(OC)c(OC)c(OC)c2)cc1 18103116 LIQFNGGAKXIUPT-XDHOZWIPSA-N 299.370 4.025 30 40 CIEB O=C1/C(=C\c2ccccc2)CSC/C1=C/c1ccccc1 31771715 QVYZIRHMCZTVNT-WHYMJUELSA-N 292.403 4.470 30 40 CIEB CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC 57817151 MGQQLWYWXSMPLH-YRNVUSSQSA-N 296.366 4.298 30 40 CIEB N#Cc1ccc(NCC2(c3ccc(F)cc3)CCCC2)nc1 84393201 XHAANKADDBXXEA-UHFFFAOYSA-N 295.361 4.016 30 40 CIEB COc1ccc(/N=C\c2ccc(N3CCCC3)cc2)cc1 408959644 CLENARWQKFMOIG-RGEXLXHISA-N 280.371 4.046 30 40 CIEB CC(C)c1ccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 408963095 MMYIFVWENXMIEL-LICLKQGHSA-N 284.315 4.174 30 40 CIEB C=CCc1cc(CNc2ccccc2)cc(OCC)c1O 409132636 LCWDQOVITHROBJ-UHFFFAOYSA-N 283.371 4.132 30 40 CIEB CC(C)(C)c1ccc(O)c(/N=C/c2ccccc2O)c1 296601 UCRYNKIALQRUEG-WOJGMQOQSA-N 269.344 4.146 30 40 CIEB CC(=O)[C@H]1CC[C@H]2[C@H]3CCC4=CC(=O)C[C@]4(C)C3=CC[C@]12C 6159014 VSKPLBHXQVCXOT-VROUVPMXSA-N 298.426 4.254 30 40 CIEB CCOc1ccc(N/C=C/C(=O)c2ccc(C)cc2)cc1 18161764 FTMYQTAAUNZKHT-OUKQBFOZSA-N 281.355 4.202 30 40 CIEB Cc1ccc([C@H]2CCCN2Cc2ccc(C#N)cc2)cc1 32754402 XTMYTFMMLYNXFF-LJQANCHMSA-N 276.383 4.204 30 40 CIEB Cc1cc(CNc2cccc(C#Cc3cccs3)c2)no1 40061465 ODQXRBDLUWDCPT-UHFFFAOYSA-N 294.379 4.056 30 40 CIEB Oc1ccc(Br)cc1/C=N/C1CCCCCC1 57411882 DZQBPNFRIOXCKJ-MHWRWJLKSA-N 296.208 4.296 30 40 CIEB CCC(CC)(CC)NCc1cc(Cl)ccc1OCC#N 72308618 STEMHNLOEPVVJR-UHFFFAOYSA-N 294.826 4.301 30 40 CIEB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@]21CO1 8618647 PJSPSVNEDZUBIG-VPAKFMSCSA-N 284.399 4.017 30 40 CIEB COc1ccc(C)cc1[C@@H](C)Nc1ccccc1C#N 19921756 BISDOZZINPQURW-CYBMUJFWSA-N 266.344 4.048 30 40 CIEB C/C(=C\C(=O)c1ccccc1)N[C@@H](C)c1ccccc1 33843736 CMYSYFXOFMWQIA-BUYIWHAFSA-N 265.356 4.124 30 40 CIEB C/C(CCc1cccc(F)c1)=N\OCc1ccccc1 63382055 ZYWQJFGGSIYISA-XMHGGMMESA-N 271.335 4.351 30 40 CIEB CCCCN(CCC#N)c1cc(Br)ccc1F 95915610 GGIQFSBOFNQNPI-UHFFFAOYSA-N 299.187 4.108 30 40 CIEB Cc1ccc(/N=C2/C(=O)N(C(C)C)c3ccccc32)cc1C 100085780 CSOFPHMQDXBMFW-CZIZESTLSA-N 292.382 4.179 30 40 CIEB CC(C)(C)OCCCC(F)(F)C(F)(F)C(F)(F)F 1565659631 KTJRJZXIBMYWQX-UHFFFAOYSA-N 284.215 4.415 30 40 CIEB CCOc1ccccc1/C=N/c1cccc([N+](=O)[O-])c1C 66109 QPXREMGBFNXPQD-GZTJUZNOSA-N 284.315 4.053 30 40 CIEB CC1(C)CC(=O)C2=C(C1)C[C@@]1(C)CC(C)(C)C[C@]2(O)C1 344524 IJDSUFQMYUARCQ-ROUUACIJSA-N 276.420 4.023 30 40 CIEB CC(=O)/C=C/[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)O 9223158 SNUHZNCSBAQVJV-VIMWLGIASA-N 278.436 4.125 30 40 CIEB O=C(/C=C(\c1ccccc1)N1CCCCC1)c1ccccc1 17156260 WXQOXQQWEANKJI-KNTRCKAVSA-N 291.394 4.396 30 40 CIEB O=[N+]([O-])c1ccc(N/N=C\c2cccc3ccccc23)cc1 31629217 YTWVUJLKKNHVDL-PDGQHHTCSA-N 291.310 4.194 30 40 CIEB Oc1c(/C=N\Cc2ccccc2)ccc2ccccc12 100248561 LKKOLEYISGZYLZ-UYRXBGFRSA-N 261.324 4.165 30 40 CIEB C[C@]1(c2ccccc2)CC/C(=C/c2ccccc2)C1=O 6442088 GYRXIIXAVFMVSI-WLGQOEQESA-N 262.352 4.391 30 40 CIEB C/C(=N\Nc1nc2ccccc2s1)c1ccc(F)cc1 20754539 ZLLMGUVYDAWYQJ-VCHYOVAHSA-N 285.347 4.272 30 40 CIEB CCCCCCCCCCCCCOS(=O)(=O)O 43079016 QTUIJRIDZOSXHJ-UHFFFAOYSA-N 280.430 4.117 30 40 CIEB Nc1c(Cl)cc(/N=C/c2cccc(O)c2)cc1Cl 436413 KKZFCHRUBYAYDI-REZTVBANSA-N 281.142 4.032 30 40 CIEB CCCCc1ccc(/N=C/c2cc(OC)ccc2O)cc1 5597373 UOQBNPNSNQBSIX-CPNJWEJPSA-N 283.371 4.494 30 40 CIEB C=C1C[C@]2(CC)C(=O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@@H]12 26892515 QSUOYDLHCFPVMW-CAVMOMJPSA-N 298.426 4.254 30 40 CIEB in-vitro Cc1c(Cl)cccc1N/C=C/C(=O)c1ccccc1 32100059 RAECLGLHEGPJNZ-ZHACJKMWSA-N 271.747 4.457 30 40 CIEB COc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1Cl 75279714 DJZBZMHFZUJEAM-UHFFFAOYSA-N 279.767 4.034 30 40 CIEB O=C(/C=C/Nc1ccccc1)c1ccc2c(c1)CCCC2 100364073 RLXRXNNLQWGEDG-OUKQBFOZSA-N 277.367 4.374 30 40 CIEB Cc1ccc(O)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1 58440 WLPBXPZHIKFYSO-REZTVBANSA-N 296.153 4.464 30 40 CIEB COc1ccc(Oc2ccc(C(F)(F)F)cc2C#N)cc1 1404376 QHSMFWDSPZKYBF-UHFFFAOYSA-N 293.244 4.378 30 40 CIEB O=C(/C(=N/N=C1CCCC1)c1ccccc1)c1ccccc1 6674703 PUOLCVXIIKORIE-DYTRJAOYSA-N 290.366 4.289 30 40 CIEB COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC 8322579 MUCSOJAANFKVDW-RMKNXTFCSA-N 296.366 4.217 30 40 CIEB O=C1C=C/C(=N\c2ccc3c(c2)Cc2cc(Cl)ccc2-3)O1 17162369 DHPUVLVCNWJCTG-KNTRCKAVSA-N 295.725 4.054 30 40 CIEB CCCCCCCCCCCCOC(=O)C[N+](C)(C)C 17527466 ZXJLDNVXBSCEPG-UHFFFAOYSA-N 286.480 4.157 30 40 CIEB Cc1ccc(C(=O)/C=C/c2csc(Br)c2)o1 32789523 YXUUAGJMAJNJGO-ONEGZZNKSA-N 297.173 4.308 30 40 CIEB CC[C@H](C)C[C@@](C)(O)C#Cc1ccc(C)c(Cl)c1 95631616 FQUBEVQXHSDUSX-LRDDRELGSA-N 264.796 4.187 30 40 CIEB CCCC[C@H](CC)[C@@H](O)C#Cc1cccc(Cl)c1 95631775 HKWSKUGLUUXABM-HOCLYGCPSA-N 264.796 4.269 30 40 CIEB C#Cc1csc(/C=C/c2cnc(-c3ccccc3)s2)n1 96010306 XHOWHYZFHJYGLX-CMDGGOBGSA-N 294.404 4.418 30 40 CIEB CCCCCCCCCCCS/C(=N\C)NC 100167471 MCVACOGHFKYTKZ-UHFFFAOYSA-N 258.475 4.456 30 40 CIEB in-vitro Clc1ccc(/N=C\c2ccc(N3CCCC3)o2)cc1 408851652 LQQJEHLPZOQGEJ-BOPFTXTBSA-N 274.751 4.284 30 40 CIEB CC[N+](CC)(CC)CCC(F)(C(F)(F)F)C(F)(F)F 1083812833 DMDNPILAKTXZBU-UHFFFAOYSA-N 298.266 4.086 30 40 CIEB C#CCCCCCCCCC(=O)Nc1ccc(OC)cc1 2333428 LBCNRFLKTKRSNP-UHFFFAOYSA-N 287.403 4.388 30 40 CIEB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C#Cc1ccccc1 3846272 WDOZQXWWPJRUPB-BPQIPLTHSA-N 284.399 4.042 30 40 CIEB biogenic C=CCOc1cccc(NC(=O)c2cc(C)ccc2C)c1 55714370 PUVYHUNLVWKAGB-UHFFFAOYSA-N 281.355 4.121 30 40 CIEB Cc1cc([N+](=O)[O-])cc(/N=C/c2ccc(Cl)cc2)c1O 95482075 WECWVGAFTYYPKN-LZYBPNLTSA-N 290.706 4.013 30 40 CIEB Cc1ccc(/N=C/c2ccc(C#N)cc2)c2c1CC(C)(C)O2 100142041 XCBRANFKMWLMAI-CIAFOILYSA-N 290.366 4.331 30 40 CIEB C=CCCCCOc1ccc(Br)cc1 225174593 HUXPSGYBGNWAOZ-UHFFFAOYSA-N 255.155 4.184 30 40 CIEB O=C(/C=C/c1ccccc1)c1ccc(Cl)cc1F 575361782 LJBOCUOLKQDDHG-RMKNXTFCSA-N 260.695 4.375 30 40 CIEB C[C@]1(C(=O)Sc2ccccc2)O[C@@]1(C)c1ccccc1 1557928 VFAGRHYULQWZDB-DLBZAZTESA-N 284.380 4.010 30 40 CIEB C#C[C@](C)(CCC=C(C)C)O[C@H](C)OCCCC 2299688 YGBFMTSZTTYHNR-HZPDHXFCSA-N 252.398 4.304 30 40 CIEB Cc1ccc(C(=O)/C=C/Nc2cccc(C)c2)cc1 5330707 WBQWKPPGVYJQMU-ZHACJKMWSA-N 251.329 4.112 30 40 CIEB CCCN(/C=N/c1sc2c(c1C#N)CCCC2)CCC 5671724 NREOQHSRAGWGKM-LDADJPATSA-N 289.448 4.280 30 40 CIEB CCCCc1ccc(/N=C2\C(=O)N(C)c3ccccc32)cc1 6996848 UOIGMFJVFMTRAU-ZZEZOPTASA-N 292.382 4.126 30 40 CIEB CSc1ccccc1C(=O)/C=C/c1ccccc1 205229807 INBDDQBOPODQGB-VAWYXSNFSA-N 254.354 4.305 30 40 CIEB C#CCOc1cccc(CNc2cccc(Cl)c2C)c1 409120826 UWSOOZBKBGZRMP-UHFFFAOYSA-N 285.774 4.273 30 40 CIEB O=C(/C=C/c1c(F)cccc1Cl)c1ccccc1 7717821 XRZDIGABXAFEFY-MDZDMXLPSA-N 260.695 4.375 30 40 CIEB C/C(=C\C(=O)c1ccccc1)Nc1cccc(C)c1 32100274 WERIFKLJBJIWCH-WYMLVPIESA-N 251.329 4.194 30 40 CIEB Cc1ccc(C(=O)/C=C/c2ccccc2OC(C)C)o1 58452925 UKSYTXKPPMKTLR-MDZDMXLPSA-N 270.328 4.271 30 40 CIEB CCCCC[C@@H](O)C#Cc1ccc(Cl)c(Cl)c1 95633472 UVCLZNRAFKCNHY-GFCCVEGCSA-N 271.187 4.286 30 40 CIEB Cl/C(=N\c1cccnc1)c1ccc(Cl)cc1 100010968 DHEKXXUZOAWMDP-VBKFSLOCSA-N 251.116 4.052 30 40 CIEB CCc1ccc(NC(C)=C2C(=O)c3ccccc3C2=O)cc1 101943563 BSPGHOFRTHHZOV-UHFFFAOYSA-N 291.350 4.014 30 40 CIEB COc1cccc(N=Cc2ccc3ccccc3c2O)c1 260840670 XLUDBBLEHQOISK-UHFFFAOYSA-N 277.323 4.305 30 40 CIEB Cc1ccc(C(=O)C=C(O)c2ccc(C)cc2)cc1 1857793743 BEAQJCSIBXPJBM-UHFFFAOYSA-N 252.313 4.085 30 40 CIEB CSc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1 5128114 UAJSXFMZIHSLKG-NYYWCZLTSA-N 270.353 4.010 30 40 CIEB COc1ccccc1/C=C/C(=O)c1nc2ccccc2s1 7335891 RMXHSEQFDMYBCR-ZHACJKMWSA-N 295.363 4.201 30 40 CIEB C=CCOc1ccc(C(=O)NC2CCCCCCC2)cc1 8050017 DBEQTMSPYLPBIF-UHFFFAOYSA-N 287.403 4.094 30 40 CIEB CCCCCCC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 17106083 VHZQYFKHTUZOIT-XFXZXTDPSA-N 261.321 4.148 30 40 CIEB CCOc1ccc(N/C(C)=C/C(=O)c2ccccc2)cc1 32100277 QPMKTSDYIDLRAE-BUHFOSPRSA-N 281.355 4.284 30 40 CIEB CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@H]2CC=CCC2)cc1 66396735 VJIGWAYQHRYWRW-WBVHZDCISA-N 296.414 4.021 30 40 CIEB Cc1ccc(C23C[C@H]4C[C@@H](CC(C#N)(C4)C2)C3)cc1 100846099 UODLMKRYKAWVCJ-QEFXCSQDSA-N 251.373 4.357 30 40 CIEB C=C1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1 618256337 GPGMDRXCMRMIPR-UHFFFAOYSA-N 284.186 4.222 30 40 CIEB CCN(CC)c1ccc(/C=N/c2cccc(C)c2)c(O)c1 4549934 RDNOLDHLFPGCIT-CPNJWEJPSA-N 282.387 4.297 30 40 CIEB C#CCCCCCCCCC(=O)NCc1ccccc1 4812176 KBUQBKXCTOQAAU-UHFFFAOYSA-N 271.404 4.057 30 40 CIEB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@]21CO1 8618645 PJSPSVNEDZUBIG-ICBNADEASA-N 284.399 4.017 30 40 CIEB O=C1/C(=C/c2ccc(F)cc2)CCc2ccccc21 12368637 UFYHKHRBFAQTGQ-SDNWHVSQSA-N 252.288 4.038 30 40 CIEB CCOc1ccc(/N=C\c2ccccc2Cl)c(O)c1 16926648 HECCMQPFOYBWEB-YVLHZVERSA-N 275.735 4.195 30 40 CIEB N#Cc1ccc(-c2ccc(/C=N\c3cccc(O)c3)o2)cc1 101748794 PISHNDOSMUUMPX-NDENLUEZSA-N 288.306 4.274 30 40 CIEB C[C@@H]1C[C@H](/N=C\c2ccc3c(c2)OCO3)CC(C)(C)C1 104359731 RSQLGKTUFLHEOF-OYVKMAIOSA-N 273.376 4.049 30 40 CIEB C[C@H]1C[C@H](/N=C/c2ccc3c(c2)OCO3)CC(C)(C)C1 104359745 RSQLGKTUFLHEOF-KCELOSIBSA-N 273.376 4.049 30 40 CIEB COc1cc(C)c(/C=N/c2ccc(C)c(C)c2)cc1OC 408549450 TTXZAIYTAJCEJL-YBFXNURJSA-N 283.371 4.380 30 40 CIEB CC(C)/C(=N\NCc1ccc(Cl)cc1)c1ccccc1 408712030 WPYRSEJVZKLUIQ-LVZFUZTISA-N 286.806 4.490 30 40 CIEB C[C@H](CC(=O)c1cccc(F)c1C#N)CC(C)(C)C 575362023 VNLYUOGPSKUEBK-LLVKDONJSA-N 261.340 4.342 30 40 CIEB CC(C)=CCC/C(C)=C\CC(C)(C)/C=N/n1cnnc1 5377785 VTKWCAWXRZUZAS-DULRMMMRSA-N 274.412 4.221 30 40 CIEB O=C(/C=C\c1ccc(F)cc1Cl)c1ccccc1 33376401 RCHUBHMASRWXJB-CLFYSBASSA-N 260.695 4.375 30 40 CIEB Cc1cccc(C)c1C(OC[C@H]1CO1)c1c(C)cccc1C 75629411 LIJMMZBEUVMNQZ-QGZVFWFLSA-N 296.410 4.425 30 40 CIEB C=CCN(CC=C)c1ccc(Br)cc1Cl 95915809 KAGRADQRSGIGGL-UHFFFAOYSA-N 286.600 4.281 30 40 CIEB N#Cc1cnccc1/C=C/c1ccc(-c2ccccc2)o1 504720046 GVEVHQDWSVQTPE-VOTSOKGWSA-N 272.307 4.384 30 40 CIEB Cc1cccc(-c2nc(C#N)c(NC3CCCCC3)o2)c1 544555 TYTDSPILSLNYIV-UHFFFAOYSA-N 281.359 4.266 30 40 CIEB O=C(/C=C/c1ccccc1)c1nc2ccccc2s1 7335821 WVKYMDNTUGIFSH-ZHACJKMWSA-N 265.337 4.192 30 40 CIEB N#Cc1ccccc1N/N=N/c1ccccc1Cl 16916722 DYJLRMIXPBXWER-UHFFFAOYSA-N 256.696 4.322 30 40 CIEB COc1ccc(Cl)cc1/N=C1/CC(=O)CC(C)(C)C1 100287941 SFPWUICOCITRSI-BOPFTXTBSA-N 279.767 4.200 30 40 CIEB CCCCOCCC(F)(C(F)(F)F)C(F)(F)F 1083806314 HXBNZGCOZASTHJ-UHFFFAOYSA-N 270.188 4.026 30 40 CIEB COc1cc(/C=N/c2ccc(Cl)cc2)ccc1C(C)=O 65509 QEGKUPAGNJGECJ-VCHYOVAHSA-N 287.746 4.302 30 40 CIEB COc1ccc(C(=O)/C=C/c2ccc(SC)cc2)cc1 5128807 ZGIOCWWESCNBFZ-LFYBBSHMSA-N 284.380 4.313 30 40 CIEB CCOc1cccc(/C=N/c2ccc(SC)cc2)c1O 5335548 NVZYKUZRTLQFHX-GZTJUZNOSA-N 287.384 4.263 30 40 CIEB N#Cc1ccccc1OCc1csc(-c2cccs2)n1 6851412 SZNBPBRQSXEAHR-UHFFFAOYSA-N 298.392 4.322 30 40 CIEB COc1ccc(OC)c(/C=C/C(=O)c2ccc(C)cc2C)c1 71977098 BOBQKMHYESWTFU-RMKNXTFCSA-N 296.366 4.217 30 40 CIEB Cc1ccccc1/N=C\c1ccc(N2CCCC2)c(F)c1 409095153 GZINDJMZSJEWAW-MOSHPQCFSA-N 282.362 4.485 30 40 CIEB N#Cc1c(-c2ccccc2)cc(C(F)F)[nH]c1=S 2549426 WUEMDBYORZFKRU-UHFFFAOYSA-N 262.284 4.220 30 40 CIEB CC(C)(C)C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 6409236 REIAOYFEXXGHAO-UHFFFAOYSA-N 293.366 4.219 30 40 CIEB Cc1cccc(N/N=C2/C(O)=Nc3ccc(Cl)cc32)c1 43776725 GPJNTFPDOCAUDE-UHFFFAOYSA-N 285.734 4.066 30 40 CIEB CC[C@H](C)C[C@@](C)(O)C#Cc1ccc(OC(C)(C)C)cc1 95631422 OVKALZKUKCCLCX-KXBFYZLASA-N 288.431 4.403 30 40 CIEB CCN(CC)c1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1 100004201 XGEMBWZUWCISAT-QGOAFFKASA-N 297.358 4.192 30 40 CIEB Cc1ccc(Cc2ccc(C#N)n2Cc2ccccc2)cc1 226029855 DBILMWWIODJRMV-UHFFFAOYSA-N 286.378 4.307 30 40 CIEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1cccc(C(C)=O)c1)C2 352771 ILQSEBPZWDXUTJ-DNVCBOLYSA-N 297.398 4.210 30 40 CIEB C/C(=N\Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 5414929 ZIJKGRLKADRZQI-RIYZIHGNSA-N 295.751 4.146 30 40 CIEB N#Cc1ccc(-c2csc(Nc3ccccc3)n2)cc1 21224810 GVPCNGYNDGEAOT-UHFFFAOYSA-N 277.352 4.425 30 40 CIEB Cc1ccc(Cl)cc1/N=C/c1cccc([N+](=O)[O-])c1 101078018 XJXRUEZTLVGYOO-CXUHLZMHSA-N 274.707 4.307 30 40 CIEB Cc1ccccc1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 101403562 NSAILCPOJFZKAA-SXGWCWSVSA-N 274.707 4.307 30 40 CIEB COc1ccc(/C=N/c2nc3ccc(C)cc3s2)cc1 221692 HLPRFIDKUIQMJE-LICLKQGHSA-N 282.368 4.364 30 40 CIEB CSc1ccc(/C=N/Nc2ccc(C)cc2C)cc1 4922813 QLXURZGAUCYVAC-GZTJUZNOSA-N 270.401 4.471 30 40 CIEB C=CCNCc1ccc(-c2ccc(F)c(Cl)c2)o1 6855902 WDIBYKLIVPWMDD-UHFFFAOYSA-N 265.715 4.015 30 40 CIEB CCc1nc(NCc2ccccc2)c(C#N)c2c1CCCC2 19809080 MPTXBKFNKIIQKB-UHFFFAOYSA-N 291.398 4.007 30 40 CIEB N#Cc1ccc(Nc2ccc(OC3CCCC3)cc2)nc1 29531042 MXIWHHZNFJEPBE-UHFFFAOYSA-N 279.343 4.018 30 40 CIEB O=C1C2=C3[C@H](CC2)c2ccccc2C(=O)[C@@H]3c2ccccc21 100151133 RPNFFALBIIRQPH-FZKQIMNGSA-N 286.330 4.037 30 40 CIEB COCc1cc(C)nc(SCc2ccc(C)cc2)c1C#N 409182901 PIBFTSUBCNXPPH-UHFFFAOYSA-N 298.411 4.009 30 40 CIEB N#Cc1cc(-c2ccccc2)nnc1Sc1ccccc1 1387400 UWZMLHWFTLQTKR-UHFFFAOYSA-N 289.363 4.166 30 40 CIEB CCCCCCCCCN1C(=O)c2ccc(F)cc2C1=O 3188531 PRZPELWUUYCLPD-UHFFFAOYSA-N 291.366 4.172 30 40 CIEB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C#Cc1ccccc1 3846271 WDOZQXWWPJRUPB-CGTJXYLNSA-N 284.399 4.042 30 40 CIEB O=C(/C=C\c1ccc(Cl)s1)c1cccc(F)c1 33376748 HQHCIXIVEMIPLA-XQRVVYSFSA-N 266.724 4.437 30 40 CIEB C=C(Br)Cc1ccc(O[C@H]2CCCCO2)cc1 43208756 UNBYIUXWSXUGBF-AWEZNQCLSA-N 297.192 4.043 30 40 CIEB COc1cccc(/C=N/c2ccccc2C(F)(F)F)c1O 44835938 UGSKSIRFRHDIIG-DJKKODMXSA-N 295.260 4.170 30 40 CIEB C=C(c1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 72208085 ALSMATZBCFHVHN-MRXNPFEDSA-N 287.403 4.347 30 40 CIEB CCCCCCCCCCCCCCCn1nn[nH]c1=N 104179432 YPFLOMMZBJALMY-UHFFFAOYSA-N 295.475 4.177 30 40 CIEB COc1ccc(C(=O)/C=C/Oc2ccc(Cl)cc2)cc1 174254 CXUZDCPHSYISBJ-ZHACJKMWSA-N 288.730 4.124 30 40 CIEB CCc1ccc(C(=O)/C=C/Nc2ccc(OC)cc2)cc1 9434670 GHVNBGNYJNIVJU-OUKQBFOZSA-N 281.355 4.066 30 40 CIEB C(#Cc1ccc(-c2ccccc2)cc1)CO[C@H]1CCCCO1 95632833 OASYQJHPARARAF-FQEVSTJZSA-N 292.378 4.248 30 40 CIEB N#CCCCCCOc1cc(F)ccc1Br 95733946 ZZQISHDTQVRREZ-UHFFFAOYSA-N 286.144 4.051 30 40 CIEB CC[C@H](C)n1c(C#N)cc(N)c1Oc1cccc(Cl)c1 225881660 IYBNLOHIKXUJRA-JTQLQIEISA-N 289.766 4.359 30 40 CIEB COc1ccc2c(c1)S/C(=C\Cc1ccc(C)cc1)C2=O 255189052 NJVKRBWJWJFXEU-YBEGLDIGSA-N 296.391 4.419 30 40 CIEB O=C(/C=C\N(O)c1ccccc1)c1ccc2c(c1)CCCC2 13405292 RXINRLKNWGCXDB-SEYXRHQNSA-N 293.366 4.158 30 40 CIEB C=CCOc1ccccc1CNc1ccc(C)cc1C 37414338 GRRKKVKSFUIADU-UHFFFAOYSA-N 267.372 4.480 30 40 CIEB CSc1ccc(C(=O)/C=C/c2cccc3c2OCO3)cc1 40139780 GKDHWOUMCGRQHR-JXMROGBWSA-N 298.363 4.033 30 40 CIEB C=CC/C=C(/COCCC#N)[Si](C)(CC)CC 195820227 SAEIZWIDLIUPBF-UVTDQMKNSA-N 251.446 4.077 30 40 CIEB Oc1cccc(/C=N/c2ccc(Cl)cc2Cl)c1O 273887 PQYYVMVDOWFBNA-FRKPEAEDSA-N 282.126 4.155 30 40 CIEB Cc1ccccc1/C=N/c1ccc(Cl)c([N+](=O)[O-])c1 587375 LQOXYCDDQMLNMG-CXUHLZMHSA-N 274.707 4.307 30 40 CIEB CC(=O)/C(=C/c1ccccc1)Oc1ccc(Cl)cc1 3111049 IYAASAFGWXZAFB-WJDWOHSUSA-N 272.731 4.349 30 40 CIEB C=C1N(C)c2ccc(NC(=O)c3ccccc3)cc2C1(C)C 3164958 BCOJCJCPYUWDND-UHFFFAOYSA-N 292.382 4.180 30 40 CIEB CC1(C)CC(=O)C(c2ccccc2)=C(O)c2ccccc21 5105020 XQJUUYFNEGATNX-UHFFFAOYSA-N 278.351 4.363 30 40 CIEB Nc1ccccc1C(=O)/C=C/c1c(O)ccc2ccccc12 5594274 NZYLTSOYOOGAKX-ZRDIBKRKSA-N 289.334 4.024 30 40 CIEB CC1=C[C@@](C)(C(Cl)(Cl)Cl)C(C)=C/C1=N/O 16952835 KWZMBIRKWQBTEG-ZJTXEKFPSA-N 268.571 4.099 30 40 CIEB O/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 20154457 NYRKXUUUVTXOSN-MKMNVTDBSA-N 256.088 4.062 30 40 CIEB C=C(Br)Cc1cc(Cl)ccc1Cl 71795257 IRQATBSPRKXWGX-UHFFFAOYSA-N 265.965 4.445 30 40 CIEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)Nc1ccc(OC)cc1)C2 100261718 BDPFUXZERTWMOF-ACJLOTCBSA-N 285.387 4.016 30 40 CIEB CCOc1ccc(Cl)cc1/C=N/c1ccccc1OC 409099458 SQBOTNBAMAILMH-WOJGMQOQSA-N 289.762 4.498 30 40 CIEB Cc1ccc(C(=O)/C=C/c2ccc(F)cc2)c(C)c1 6432926 HLTUQPGJKOGBNX-UXBLZVDNSA-N 254.304 4.339 30 40 CIEB C=CCOc1ccccc1/C=N/c1ccc(OC)cc1 8116655 WSRVVMMKECLABC-QGOAFFKASA-N 267.328 4.011 30 40 CIEB C#CCOc1ccc(/C=N/c2ccc(C)cc2)cc1Cl 8371866 NNHVPXRIUSWPQQ-XDHOZWIPSA-N 283.758 4.411 30 40 CIEB CCc1ccc(C(=O)/C=C/c2cccc(C)c2)cc1 32105405 YUIVGGYQHSBADJ-FMIVXFBMSA-N 250.341 4.454 30 40 CIEB N#Cc1ccc(-c2nc3ccccc3s2)cc1Cl 41127217 AASDYBRLFQWYBA-UHFFFAOYSA-N 270.744 4.488 30 40 CIEB C=C(c1ccccc1)[C@H]1CCCCN1C(=O)OC(C)(C)C 72208032 JXAFETOQYWTDGM-MRXNPFEDSA-N 287.403 4.489 30 40 CIEB CCCC[C@H](CC)[C@@H](O)C#Cc1ccc(C)cc1C 95633512 WWFYUDGVECMPJY-WMZOPIPTSA-N 258.405 4.232 30 40 CIEB CCCCCCCCNCc1ccc(OC)c(OC)c1 100048903 UHCOWPKOCCLZOY-UHFFFAOYSA-N 279.424 4.154 30 40 CIEB CC[C@@H]1/C(=N\O)C[C@H](c2ccccc2)N[C@H]1c1ccccc1 105346362 KELKCHCDSYUMCO-NCCMNSNASA-N 294.398 4.319 30 40 CIEB CCCCCCCCSc1nc(=O)c2ccccc2[nH]1 2059160 UCNDPQGGYGMGSF-UHFFFAOYSA-N 290.432 4.376 30 40 CIEB CCCCCCCCC(=O)Oc1ccc(C(=O)O)cc1 3107597 RPVXVXVYQAUIQJ-UHFFFAOYSA-N 278.348 4.041 30 40 CIEB biogenic Cc1ccc(Cl)cc1NCc1ccccc1C#N 20033142 MEBXIAJJJCKMTF-UHFFFAOYSA-N 256.736 4.132 30 40 CIEB COc1cccc2cc(/C=C3\Cc4ccccc4C3=O)oc12 69130158 HJDVJCNBRGCUGR-SDNWHVSQSA-N 290.318 4.264 30 40 CIEB CCc1ccc(C(=O)/C=C/c2nc3ccccc3[nH]2)cc1 69701146 ADHKVTUAWIWRBV-VAWYXSNFSA-N 276.339 4.021 30 40 CIEB CC[C@H](C)n1c(C#N)ccc1CCc1ccccc1 226028489 WOLSTPKIRPMLCX-AWEZNQCLSA-N 252.361 4.116 30 40 CIEB Cc1ccc(/N=C/c2ccccc2O)cc1Br 46301 AITNKGJATLPJLM-CXUHLZMHSA-N 290.160 4.214 30 40 CIEB Cc1ccccc1OCCCn1cc(C#N)c2ccccc21 4675668 ZPOVVICPXWCNPV-UHFFFAOYSA-N 290.366 4.291 30 40 CIEB O=C(/C=C/c1ccccc1C(F)(F)F)c1ccc(O)cc1 6647646 PWZXRLJPNZIKGI-JXMROGBWSA-N 292.256 4.307 30 40 CIEB O/N=C1\[C@H]2CC[C@H](C2)[C@H]1Sc1nc2ccccc2s1 8382115 BXBULTSAQZXYGK-WOIYCZTLSA-N 290.413 4.017 30 40 CIEB CC(C)/N=C(/S)NN(c1ccccc1)c1ccccc1 8680923 ZFWZDHDCNOBUOJ-UHFFFAOYSA-N 285.416 4.024 30 40 CIEB C=CCOc1ccc(CNc2ccccc2C)cc1 21804943 UZBICONPFJJRMM-UHFFFAOYSA-N 253.345 4.172 30 40 CIEB COc1ccc(/C=N\c2ccc(C)cc2C)cc1OC 272487 JAYWONJSSBJWFF-WQRHYEAKSA-N 269.344 4.071 30 40 CIEB Clc1cc(/N=C/c2cccnc2)ccc1Br 301525 HZFFKEMQMAYURN-LZYBPNLTSA-N 295.567 4.248 30 40 CIEB O=C(C=C(C(F)(F)F)C(F)(F)F)/C=C/c1ccccc1 1623680 LXNIKNRXUBXSRA-VOTSOKGWSA-N 294.194 4.320 30 40 CIEB N#Cc1cccc(OCCOc2cccc3ccccc23)c1 1750890 AQCHUYMBRKAUJE-UHFFFAOYSA-N 289.334 4.169 30 40 CIEB COc1cccc(/C=N/c2ccc(C(F)(F)F)cc2)c1O 3333670 QASPVLPNDRCUCN-DJKKODMXSA-N 295.260 4.170 30 40 CIEB O/N=C1\[C@H]2CC[C@H](C2)[C@H]1N(c1ccccc1)c1ccccc1 5616801 IDLFGPRFKIVCEI-FVZCUCNDSA-N 292.382 4.453 30 40 CIEB CCCCCCCCC/C=C/C(=O)NCc1cccnc1 100709245 GDXOWPDLDZJTEL-JLHYYAGUSA-N 288.435 4.395 30 40 CIEB CCCCCc1c(N)cc(C#N)n1Cc1cccc(C)c1 225855967 LWBAFGGDXJGBHY-UHFFFAOYSA-N 281.403 4.031 30 40 CIEB O=C(/C=C/c1ccccc1)SC(=O)OCc1ccccc1 17302238 IJBLLKGRSQAKFS-VAWYXSNFSA-N 298.363 4.296 30 40 CIEB C=C(C)C1(Br)[C@H]2CC[C@@H]1c1ccccc12 71785912 COOWOWOZWAOTCD-PBWFPOADSA-N 263.178 4.371 30 40 CIEB CCCCCC[C@@](C)(O)C#Cc1cc(F)cc(F)c1 95631909 JTEWKZUALACUKA-MRXNPFEDSA-N 266.331 4.038 30 40 CIEB N#Cc1cc(N)c(Sc2ccccc2)n1C1CCCC1 225887745 RWEJGNKYTAJVHY-UHFFFAOYSA-N 283.400 4.208 30 40 CIEB O/N=C1/CCC=CCCC=CCC[C@H]1N1CCCCC1 1559628114 ULZMQPHIXGOUSI-ISNZVUGYSA-N 276.424 4.138 30 40 CIEB Oc1ccc(/C=N/c2cc(Cl)cc(Cl)c2)cc1 66128 OFBMZHWXYIFMPD-LZYBPNLTSA-N 266.127 4.450 30 40 CIEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(Cl)cn1)C2 1462907 PZHJHTSFTIEPIF-ZBEGNZNMSA-N 290.794 4.056 30 40 CIEB Cc1cc(/C=C/C(=O)c2ccccc2F)cc(C)c1O 7741254 SVLZXPXJHGJLLR-BQYQJAHWSA-N 270.303 4.044 30 40 CIEB C=CCCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 57551099 JBQOEXYNVDADIT-UHFFFAOYSA-N 263.340 4.163 30 40 CIEB CCCC[C@H](CC)[C@H](O)C#Cc1cc(C)cc(F)c1 95632254 UFGZJRNFLBDSNB-DOTOQJQBSA-N 262.368 4.063 30 40 CIEB Cc1cc2c(cc1C=NO)[C@H](C)CC(C)(C)N2C(C)C 260569494 QMNCTGQRPDDTPB-CYBMUJFWSA-N 274.408 4.304 30 40 CIEB O=C1/C(=C/c2ccc3ccccc3c2)COc2ccccc21 3126255 CORKPNFXEOGKHT-SFQUDFHCSA-N 286.330 4.499 30 40 CIEB CCOc1ccc(/C=N/c2ccc(OC)cc2)cc1Cl 6963964 HHSVDXWVLOXIND-WOJGMQOQSA-N 289.762 4.498 30 40 CIEB Cc1cc(O)c(C(C)C)cc1/N=C\c1ccc([N+](=O)[O-])cc1 17288062 RRRIUZTYKDNUQH-ZDLGFXPLSA-N 298.342 4.483 30 40 CIEB CC(=C/c1ccccc1)/C=N/Nc1ccc([N+](=O)[O-])cc1 48236853 GZNWAJFUIVBCPJ-RTNVFWHRSA-N 281.315 4.096 30 40 CIEB CCCCCCCCCCCCCC(=O)OCCO 100036663 ABFWOTZXBYVPIF-UHFFFAOYSA-N 272.429 4.223 30 40 CIEB in-vitro COc1ccc(/C=N/c2ccccc2C#N)c2ccccc12 566876 YXMCULVROSZQSA-FYJGNVAPSA-N 286.334 4.471 30 40 CIEB Cc1ccc(/N=C/c2cc3cccc(C)c3[nH]c2=O)cc1C 5818539 UAADBRTVCQBZOI-RGVLZGJSSA-N 290.366 4.204 30 40 CIEB CC[C@H]1/C(=N\O)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 101280993 KELKCHCDSYUMCO-XMSRZWOKSA-N 294.398 4.319 30 40 CIEB CCOc1ccc(N/C=C2\C(=O)[C@@]3(C)CC[C@H]2C3(C)C)cc1 245239262 GYVCCTGMMFPHGW-MWPJJREVSA-N 299.414 4.406 30 40 CIEB C=C(Cl)Cc1c(F)cc(Br)cc1F 606295071 XNKWLOBHNGYMJA-UHFFFAOYSA-N 267.500 4.022 30 40 CIEB N#CCSc1ncc(-c2ccccc2)n1-c1ccccc1 5263302 GVOIYIVMHJPWQV-UHFFFAOYSA-N 291.379 4.155 30 40 CIEB CCN(CC)C(C)(C)C(=O)/C=C\c1ccc(Cl)cc1 17142912 JGRBXLKKQUMTSQ-XFXZXTDPSA-N 279.811 4.043 30 40 CIEB Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1 36047270 CUYIELKTVRBRRG-CYBMUJFWSA-N 292.363 4.095 30 40 CIEB Cc1cc(-c2ccc(C#N)o2)cc(C)c1Br 45888704 VQXYGBZUBNYRML-UHFFFAOYSA-N 276.133 4.198 30 40 CIEB Cc1ccc(C)c(OCCn2cc(C#N)c3ccccc32)c1 555475 MFFHUWXJSTYNIE-UHFFFAOYSA-N 290.366 4.209 30 40 CIEB N#C[C@H]1C=Cc2ccccc2[C@@H]1C(=O)/C=C/c1ccccc1 977106 DTXPWFHCBJNIKB-GFAXEHQMSA-N 285.346 4.219 30 40 CIEB CCCCC[C@H](CN(C)C)C(=O)/C=C/c1ccc(F)cc1 1574756 ASGQVNSGBFJSMI-QSOAKEGCSA-N 291.410 4.166 30 40 CIEB CCOc1ccc(C(=O)/C=C/Nc2ccc(F)c(C)c2)cc1 51318897 OBYCKPWENSMREW-ZHACJKMWSA-N 299.345 4.341 30 40 CIEB CCCCCCCCNC(=S)N(C)c1ccccc1 100987252 DLJQJOZEGWUTOM-UHFFFAOYSA-N 278.465 4.358 30 40 CIEB CCCCCCCCCCCC[C@@H](CC(=O)O)C(=O)O 103601590 YLAXZGYLWOGCBF-AWEZNQCLSA-N 286.412 4.473 30 40 CIEB N#Cc1cncc(Oc2cccc(-c3ccccc3)c2)c1 685937100 AOYCJSUQYYLRNJ-UHFFFAOYSA-N 272.307 4.413 30 40 CIEB Cc1ccc2c(NCc3cccc(C#N)c3)cccc2n1 1888970057 GUEUPFCTAXPXJE-UHFFFAOYSA-N 273.339 4.027 30 40 CIEB Cc1ccccc1[C@H](C#N)[C@H](CC#N)c1ccccc1 133260 GFTNSHSIKCZDTP-MSOLQXFVSA-N 260.340 4.300 30 40 CIEB O=C(/C=C/c1ccccc1Cl)c1cc(F)ccc1O 4279011 STLSPFHJUYEIBD-FNORWQNLSA-N 276.694 4.081 30 40 CIEB Cc1cc(/N=C/c2c(O)ccc3oc4c(c23)CCCC4)no1 5379595 NNHZIRFJFNHGAM-GIJQJNRQSA-N 296.326 4.064 30 40 CIEB O/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 11953678 NDPAVNPKZWUIOL-CAOOACKPSA-N 296.153 4.381 30 40 CIEB Cc1ccccc1NC(=S)N/N=C/[C@@H](C)c1ccccc1 13683675 UHXCVXWAACRCRF-CRRKTRLDSA-N 297.427 4.071 30 40 CIEB CCOC(=O)c1ccc(/N=C/N(CC)c2ccccc2)cc1 16678285 LTGPEBRDBMFYBR-XMHGGMMESA-N 296.370 4.050 30 40 CIEB CCN(CC)c1ccc(/C=N/c2ccc(C)cc2)c(O)c1 100005245 KTUXSHKIYRRKTE-CPNJWEJPSA-N 282.387 4.297 30 40 CIEB CN(C)c1ccc(/C=C/C=N/c2sccc2C#N)cc1 100254536 XYMBBTKJKCCZMT-DGDUMEAGSA-N 281.384 4.101 30 40 CIEB O=C1/C(=C\NC2CCCCCC2)Sc2ccccc21 103407749 SWXCWFLSUNAUTJ-RVDMUPIBSA-N 273.401 4.129 30 40 CIEB Cc1ccccc1Oc1c(N)cc(C#N)n1C1CCCC1 225879276 FORAZIRXEMKRQK-UHFFFAOYSA-N 281.359 4.158 30 40 CIEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/NCc2ccccc2)C1 408564339 YOPJZMJNSTUJLJ-ZQHZRZASSA-N 285.431 4.466 30 40 CIEB Clc1ccc(/C=N\N2CCCCCC2)c(Cl)c1 4896947 WYMKISIWQJPKOC-YBEGLDIGSA-N 271.191 4.203 30 40 CIEB C(=N\Nc1nc2ccccc2s1)\c1c[nH]c2ccccc12 16525324 XJFLTNDKFGTCIO-ZDLGFXPLSA-N 292.367 4.224 30 40 CIEB CC(C)c1ccc(CN(c2ccc(C#N)cn2)C2CC2)cc1 58489049 VJPNYVCXTSCENK-UHFFFAOYSA-N 291.398 4.246 30 40 CIEB Cc1cc(/N=C/c2ccc(N3CCCC3)o2)ccc1F 59138603 HUSVFLVGTOGDBJ-WOJGMQOQSA-N 272.323 4.078 30 40 CIEB COc1ccc(C/N=C/c2c(C)n(C)c3ccccc23)cc1 59679076 ILOPVUMZZZXDKG-DEDYPNTBSA-N 292.382 4.114 30 40 CIEB CC(=O)c1ccc(N/C=C2/Sc3ccccc3C2=O)cc1 100068801 DMFFRBAXRWFYPU-MHWRWJLKSA-N 295.363 4.131 30 40 CIEB Cc1onc(-c2c(Cl)cccc2Cl)c1CC#N 139524 QMKBXPYSQHGSCW-UHFFFAOYSA-N 267.115 4.023 30 40 CIEB CC1(C)[C@H](CC#N)C[C@H]1C(=O)/C=C/c1ccc(Cl)cc1 2304691 GZCCKKFHHIHENT-JGOVJGDKSA-N 287.790 4.498 30 40 CIEB COc1ccc(/C(C)=N/Nc2nc3ccccc3s2)cc1 13892810 ZVDSAIAXLVLLBK-WOJGMQOQSA-N 297.383 4.141 30 40 CIEB CCc1ccc(C(=O)/C=C/Nc2ccc(C)cc2)cc1 409100485 NZMVSADNHDRJBA-OUKQBFOZSA-N 265.356 4.366 30 40 CIEB C#CCOc1ccc(CNc2cccc(Cl)c2C)cc1 409119492 WUJXPQNESRPFBL-UHFFFAOYSA-N 285.774 4.273 30 40 CIEB CC(C)=CC(=O)c1ccc(SC(F)(F)F)cc1 575360377 CFTGCRKJKXLPNM-UHFFFAOYSA-N 260.280 4.447 30 40 CIEB O=C1C(O)=C(CCC[C@H]2C=CCCC2)C(=O)c2ccccc21 8615301 LSPQXSVKBKRIOA-ZDUSSCGKSA-N 296.366 4.404 30 40 CIEB O=[N+]([O-])c1ccc(N/N=C/c2cccc3ccccc23)cc1 8617008 YTWVUJLKKNHVDL-LDADJPATSA-N 291.310 4.194 30 40 CIEB N#CCCn1c(-c2ccccc2Cl)nc2ccccc21 12539073 PZXNAYQUAIPGRR-UHFFFAOYSA-N 281.746 4.270 30 40 CIEB COc1cccc(N/C(S)=N\N=C2CCCCCC2)c1 13879006 ORHOIHIYLKHOID-UHFFFAOYSA-N 291.420 4.103 30 40 CIEB C(=N\CC1CCC(C/N=C/c2ccco2)CC1)\c1ccco1 16955225 QEZUEECQANDDII-LRVMPXQBSA-N 298.386 4.217 30 40 CIEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OC)c1O 76274736 UQFDHTADACUHJC-UHFFFAOYSA-N 297.398 4.358 30 40 CIEB CC[C@H](C)C[C@](C)(O)C#Cc1ccc(C(C)C)cc1 95633078 JTXMVLCAWXQIBV-MAUKXSAKSA-N 258.405 4.349 30 40 CIEB CCCCCCCCCCCC[N+]1(C)CCOCC1 103005858 VXYGFTZDXZHPHP-UHFFFAOYSA-N 270.481 4.384 30 40 CIEB C=CCOc1ccc(C(=O)NC[C@H](CC)CCCC)cc1 224638315 FELNVZAJNUEUTL-OAHLLOKOSA-N 289.419 4.198 30 40 CIEB Cc1ccc(/N=C/c2ccc3ccccc3c2O)c(O)c1 409057153 UNABHIZKVLNWFE-YBFXNURJSA-N 277.323 4.310 30 40 CIEB N#C[C@H](Nc1ccccc1)c1ccc(Br)cc1 479558 SVIFZOGVKKKEPQ-AWEZNQCLSA-N 287.160 4.126 30 40 CIEB C=C[C@@]1(c2ccc3ccccc3c2)OC[C@@H](CC)O1 1644412 TYNMRKHQEUSCGK-IAGOWNOFSA-N 254.329 4.004 30 40 CIEB Cc1cccc(N/N=C/c2c(O)ccc3ccccc23)c1 4928968 WMWHUBIEEMQONM-XDHOZWIPSA-N 276.339 4.300 30 40 CIEB C=CC(=O)Oc1ccccc1/C=C\C(=O)CCCCCC 17127578 MLFSHTDLYYKVSC-YPKPFQOOSA-N 286.371 4.331 30 40 CIEB CC(C)C[C@H](NC(=O)c1ccc(C#N)cc1)c1cccs1 40157304 CBKZBUZNUDCTEB-HNNXBMFYSA-N 298.411 4.137 30 40 CIEB N#Cc1c(/N=C/c2ccc(F)cc2)sc2c1CCCC2 100042167 OTMIDVSQULPYLT-VXLYETTFSA-N 284.359 4.388 30 40 CIEB CC(C)OB(C#Cc1ccc(C(C)(C)C)cc1)OC(C)C 169807622 WNYBIDQHHFCWHD-UHFFFAOYSA-N 286.224 4.213 30 40 CIEB Cc1cc(N2CCCC2)ccc1/C=N/c1cccc(F)c1 408961939 VTVHCTRDYUANIG-DEDYPNTBSA-N 282.362 4.485 30 40 CIEB CC[C@@H](C)OCCC(F)(C(F)(F)F)C(F)(F)F 1083806378 PBXODEXKMSHWMQ-ZCFIWIBFSA-N 270.188 4.025 30 40 CIEB Cc1ccccc1[C@H](CC(=O)c1cccs1)C(C#N)C#N 506842 NEEVBWZTPVZUSU-OAHLLOKOSA-N 294.379 4.076 30 40 CIEB CCOc1cccc(/C=N/c2cc(Cl)ccc2F)c1O 5292173 DNEYDVQJBJPLOD-GIJQJNRQSA-N 293.725 4.334 30 40 CIEB Cc1ccc(C(=O)/C=C/Nc2ccc(C)c(C)c2)cc1 13113739 CIAMLHZCZHEMRV-ZHACJKMWSA-N 265.356 4.420 30 40 CIEB N#CCCCOC(=O)/C=C/c1ccc(-c2ccccc2)s1 36735168 OTYRSRAWUCROAB-PKNBQFBNSA-N 297.379 4.275 30 40 CIEB CCc1cccc[n+]1Cc1ccc(-c2ccccc2C#N)cc1 44793669 KRIWEGFIKBWWJA-UHFFFAOYSA-N 299.397 4.123 30 40 CIEB Cc1oc(/N=C/c2c[nH]c3ccccc23)c(C#N)c1C 408917825 BRQHCNRVWVVYFN-DJKKODMXSA-N 263.300 4.000 30 40 CIEB CCCCCCCCOc1ccc(C(=O)O)c(F)c1F 2049133 LKLUKBVDNAEEKI-UHFFFAOYSA-N 286.318 4.402 30 40 CIEB CCCCCCCNC(=O)[C@H](CC)c1ccccc1 2790546 CNTOUELNTGKOPQ-MRXNPFEDSA-N 261.409 4.267 30 40 CIEB CCOC(=O)CCCC/C(C)=N\N=C(C(C)C)C(C)C 16923031 KIGUWCGIPNYECD-VKAVYKQESA-N 282.428 4.239 30 40 CIEB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Nc1ccc(C)cc1)C2 100282709 ABHRTSZRXZVMIQ-KBXCAEBGSA-N 269.388 4.316 30 40 CIEB biogenic CCOc1ccc(C=Nc2ccc(C(C)=O)cc2)cc1 254488362 HCDYNBNSFSMUIM-UHFFFAOYSA-N 267.328 4.039 30 40 CIEB N#CC1(c2cccc3cc(Br)ccc23)CC1 261182102 CYFUIAIMFYUOJO-UHFFFAOYSA-N 272.145 4.157 30 40 CIEB Cc1ccc(Cl)cc1/N=C/c1ccc([N+](=O)[O-])cc1 3196239 DNMYAERJCBZTEW-CXUHLZMHSA-N 274.707 4.307 30 40 CIEB CC(C)(C)C1CCC(OC(=O)c2ccc(C#N)cc2)CC1 3258253 KOUKGVPEOLWFMR-UHFFFAOYSA-N 285.387 4.320 30 40 CIEB COC(=O)Nc1sc(C)c(-c2ccc(C)cc2)c1C#N 17009616 BHGPMULNFGSWIW-UHFFFAOYSA-N 286.356 4.082 30 40 CIEB Cl/C(=N\c1ccccc1)c1cc(Cl)ccn1 17425571 YGXHFKMDIJYISB-VBKFSLOCSA-N 251.116 4.052 30 40 CIEB COc1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1O 243082 BXCPGASQHDZMFQ-CAOOACKPSA-N 296.153 4.458 30 40 CIEB COc1cccc([C@@H](c2ccccc2)C(CC#N)CC#N)c1 5640589 UTNFQFVYIRZMSP-IBGZPJMESA-N 290.366 4.271 30 40 CIEB Cc1ccc2[nH]c(=O)c(/C=N/c3cccc(C)c3C)cc2c1 13513406 CJTVDTSIWDPJAD-RGVLZGJSSA-N 290.366 4.204 30 40 CIEB C=C(c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 72208117 GVXCCTUKYCOJPV-UHFFFAOYSA-N 287.403 4.347 30 40 CIEB Cc1ccc(C(=O)/C=C/Nc2cccc(C)c2C)cc1 100245114 WFNHXFSDJDUQNY-VAWYXSNFSA-N 265.356 4.420 30 40 CIEB CCOc1ccc(/N=C\c2ccnc3ccccc23)cc1 104282025 HNKJPQCVXNNDLM-MOSHPQCFSA-N 276.339 4.384 30 40 CIEB C(=N/c1nc2c(s1)-c1ccccc1CC2)\c1cccnc1 408722416 IMMYFARTXXYSJN-YBFXNURJSA-N 291.379 4.054 30 40 CIEB COc1ccc(/C=N/c2cc(Cl)ccc2C)cc1OC 409212228 OTNYJGSBLSYVJQ-VCHYOVAHSA-N 289.762 4.416 30 40 CIEB CCCCCCC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1565254 VHZQYFKHTUZOIT-FMIVXFBMSA-N 261.321 4.148 30 40 CIEB C[C@H]1CCCc2c(C#N)c(N)nc(-c3ccc(Cl)cc3)c21 31894727 IMBYBCKNZJANRE-JTQLQIEISA-N 297.789 4.296 30 40 CIEB CCCCCCCC(=O)Nc1ccc(Cl)c(N)c1 59082188 USDHZVJEGSNIBP-UHFFFAOYSA-N 268.788 4.221 30 40 CIEB C=CCc1cc(CNc2ccccc2CC)cc(OC)c1O 76274837 DEVXWCVWVCMOMM-UHFFFAOYSA-N 297.398 4.304 30 40 CIEB CCCC[C@@H](CC)[C@@H](O)C#Cc1ccc(F)c(Cl)c1 95632858 ISMLBAIBOKHSIH-CJNGLKHVSA-N 282.786 4.408 30 40 CIEB C=CC[C@H](Nc1ccccc1)c1cc(OC)ccc1OC 541111 OEHUJZWUSSYFSH-KRWDZBQOSA-N 283.371 4.433 30 40 CIEB C/C(=N\OC(C)C)c1sc2nc3ccccc3n2c1C 1398743 LAXQFHOHQCUXBY-LICLKQGHSA-N 287.388 4.006 30 40 CIEB COc1ccccc1/C(C)=N\Nc1nc2ccccc2s1 4190909 DVOFLPQKMMRLOU-WQRHYEAKSA-N 297.383 4.141 30 40 CIEB CCn1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cn1 6637015 PZHUZBINFSTMAG-ZZXKWVIFSA-N 295.169 4.106 30 40 CIEB COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OC 8371755 CPWJPOXRGGCGAS-VCHYOVAHSA-N 289.762 4.416 30 40 CIEB C[C@@H]1c2ccsc2CCN1c1cccc(Cl)c1C#N 48936779 PCPYAFNQAKQREC-SNVBAGLBSA-N 288.803 4.397 30 40 CIEB Cc1ccc(C(=O)/C=C/Nc2ccc([N+](=O)[O-])cc2C)cc1 100744581 JVHGDYGJWPVZGP-MDZDMXLPSA-N 296.326 4.020 30 40 CIEB CCCCCCCCN(C)/N=N\c1ccc(C(N)=O)cc1 104193355 MTUACXRMFCGUJI-HNENSFHCSA-N 290.411 4.077 30 40 CIEB Cc1nc(N/N=C/c2ccccc2C(F)(F)F)sc1C 197684544 LUKPLVSEEWTXJI-REZTVBANSA-N 299.321 4.225 30 40 CIEB Oc1ccc(N=Cc2c(O)ccc3ccccc23)cc1 254823692 KPLUVIWNJYXFQT-UHFFFAOYSA-N 263.296 4.002 30 40 CIEB O=C(/C=C/c1ccccc1)c1ccccc1OC(F)(F)F 575359002 MHWKXWVWNOEGQY-ZHACJKMWSA-N 292.256 4.481 30 40 CIEB Cc1ccccc1-c1nc(C#N)c(N2C[C@H](C)C[C@@H](C)C2)o1 552558 IDAHVDRLINGVEQ-CHWSQXEVSA-N 295.386 4.004 30 40 CIEB Cc1ccc(N/N=C/c2c(F)cccc2F)cc1Cl 5163498 DQKJNLNXXQUPTQ-QGMBQPNBSA-N 280.705 4.373 30 40 CIEB Cc1cccc(/C=N/Nc2cc(C)c3cccc(C)c3n2)n1 5706405 SSSQURRHGORRPP-YBFXNURJSA-N 290.370 4.001 30 40 CIEB O/N=C/C12c3ccccc3C(c3ccccc31)c1ccccc12 16923998 YRPOGXHQEALDRU-LPYMAVHISA-N 297.357 4.288 30 40 CIEB C(=N/c1nc2c(s1)-c1ccccc1CC2)\c1ccccn1 408723236 RRMWVYJFVXRXKL-YBFXNURJSA-N 291.379 4.054 30 40 CIEB CSc1nc(-c2ccccc2)nc2sc(C#N)c(C)c12 2776077 PVEFCXFWIJHDBQ-UHFFFAOYSA-N 297.408 4.260 30 40 CIEB CCOc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2C)cc1 4575471 MBDBUZZEFZIILI-GZTJUZNOSA-N 284.315 4.053 30 40 CIEB N#Cc1ccccc1CN1CCC(Cc2ccccc2)CC1 14915025 IASJGSUHIQPKSH-UHFFFAOYSA-N 290.410 4.013 30 40 CIEB Cc1ccc(Sc2oc(C(C)(C)C)nc2C#N)cc1 27664152 DDGSRFOWFDTWPM-UHFFFAOYSA-N 272.373 4.303 30 40 CIEB CC[C@@H](C)C[C@](C)(O)C#Cc1cc(C)c(C)cc1C 95633857 YLMYJLWOPIAVIE-FZKQIMNGSA-N 258.405 4.151 30 40 CIEB CCC/C(Cl)=N\OC(=O)Nc1cc(F)ccc1C 100228729 GXDTXGORRHGOBV-LFIBNONCSA-N 272.707 4.035 30 40 CIEB CCc1ccc(C(=O)/C=C/Nc2cccc(F)c2)cc1 409096575 GBGBJJLEUGASRN-ZHACJKMWSA-N 269.319 4.197 30 40 CIEB C#CCOc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1 409214090 QXZJXMZHZKJFPL-XDHOZWIPSA-N 283.758 4.411 30 40 CIEB C=C(Cl)CCc1ccc(Br)c(F)c1 721968484 FVDFUFFXDNUQCU-UHFFFAOYSA-N 263.537 4.273 30 40 CIEB Cc1sc(/N=C/c2ccc(N(C)C)cc2)c(C#N)c1C 295489 QNJAIDRHIUPXOC-VCHYOVAHSA-N 283.400 4.053 30 40 CIEB CC1=Nc2ccccc2/C1=N\Nc1cc(C)ccc1C 5603564 KHERCTBCQPDLIL-JZJYNLBNSA-N 263.344 4.226 30 40 CIEB Cc1c(/C=N\c2cccc(F)c2)c2ccccc2n1C 408855869 GDWCCUDZTIDJKI-ODLFYWEKSA-N 266.319 4.376 30 40 CIEB C=C(C)C(=O)c1cccc(OCc2cccc(F)c2)c1 575242646 AUZQICKMAMYEHN-UHFFFAOYSA-N 270.303 4.164 30 40 CIEB Cc1ccc(/C=C2/C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)cc1 1481820 HEOCBCNFKCOKBX-OYEVUCPFSA-N 254.373 4.404 30 40 CIEB in-man CC1(C)C[C@@]2(O[C@H]2c2ccccc2)C(=O)c2ccccc21 1761156 DBSWOIVXLYIEDN-PKOBYXMFSA-N 278.351 4.061 30 40 CIEB C=C(C)[C@@H]1CC=C(C)C(=NNc2ccccc2[N+](=O)[O-])C1 4178017 BLJLQRKYWHELPR-CYBMUJFWSA-N 285.347 4.295 30 40 CIEB O=C(/C=C\c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 4933848 NCMCPJIKYTWGOK-TWGQIWQCSA-N 287.702 4.144 30 40 CIEB COc1cccc(C(=O)/C=C/c2c(F)cccc2Cl)c1 7742300 MMSGUWLDEQRRPF-CMDGGOBGSA-N 290.721 4.384 30 40 CIEB CCCCCC[C@](C)(O)C#Cc1ccc(Cl)cc1 95631826 KMIZULVGHFJDJB-INIZCTEOSA-N 264.796 4.413 30 40 CIEB CCCC[C@H](CC)[C@@H](O)C#Cc1ccc(F)c(C)c1 95632350 GMVFNEQIHKWEHE-RDJZCZTQSA-N 262.368 4.063 30 40 CIEB C=CCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1 96306248 ANMSUCJCBYNJBT-UHFFFAOYSA-N 278.307 4.025 30 40 CIEB CN(C)c1ccc(/N=C(/C#N)c2ccc(Cl)cc2)cc1 100434896 CPOBERAZVMTQBS-MNDPQUGUSA-N 283.762 4.050 30 40 CIEB COc1ccccc1/N=C/c1ccc(N2CCCC2)cc1C 408960083 JEKFDMNGKZOCRY-XSFVSMFZSA-N 294.398 4.354 30 40 CIEB CCCCC(=O)Nc1sc2c(c1C#N)CC[C@H](CC)C2 2092828 BOQWEAXLDHAAHB-NSHDSACASA-N 290.432 4.263 30 40 CIEB Fc1cccc(Cl)c1/C=N/Nc1ccc2ccccc2n1 4705107 SNFXZJNQORXGEF-VXLYETTFSA-N 299.736 4.473 30 40 CIEB Oc1ccc(Cl)cc1/C=N/C12CC3CC(CC(C3)C1)C2 5889923 NEFHHHGHVUYPOW-VXLYETTFSA-N 289.806 4.433 30 40 CIEB Cc1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)s1 8080450 VEQUIBYORQGIPR-GQCTYLIASA-N 264.296 4.231 30 40 CIEB Clc1ccc(CN/N=C/c2ccccc2Cl)cc1 10118822 WXGASTBAQHHKME-VCHYOVAHSA-N 279.170 4.117 30 40 CIEB CC/C(=N/N=C(\CC)c1ccccc1O)c1ccccc1O 17379347 VPFUDKUZTSIJRY-VBGLAJCLSA-N 296.370 4.111 30 40 CIEB N#C[C@H](NC(=O)c1csc2ccccc12)C1CCCCC1 42891100 FQDSQBINWXMFOK-HNNXBMFYSA-N 298.411 4.104 30 40 CIEB CCCCCC[C@](C)(O)C#Cc1cc(C)cc(C)c1 95633061 AGCFSZRNEYVJCD-SFHVURJKSA-N 258.405 4.376 30 40 CIEB Cc1ccc(Cl)cc1N/C=C\C(=O)c1ccccc1 103849439 FIXMPRDADRBZOU-KTKRTIGZSA-N 271.747 4.457 30 40 CIEB COc1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)cc1F 7336141 NGDGLMYDMMWKGJ-ZZXKWVIFSA-N 292.256 4.009 30 40 CIEB C[C@H]1CCC[C@@H](C)N1/N=C/c1cccc(Br)c1 12624566 XIHULUDAWNYTRF-MTCUZCOSSA-N 295.224 4.046 30 40 CIEB CC[C@@H](C)C[C@@](C)(O)C#Cc1ccc(Cl)c(C)c1 95631665 VCRVBZRNSVSZPL-WBMJQRKESA-N 264.796 4.187 30 40 CIEB CCCCCCCCCCCCNC(=S)NCC 103785395 UEGCLDCPJPZTSQ-UHFFFAOYSA-N 272.502 4.391 30 40 CIEB Cc1cc(O)c(C(C)C)cc1/N=C\c1ccc(O)cc1 104345113 RLORVBCBIPWMNO-ZDLGFXPLSA-N 269.344 4.280 30 40 CIEB CC(C)OCCCC(F)(F)C(F)(F)C(F)(F)F 1565659639 RERVICKOGLSLNO-UHFFFAOYSA-N 270.188 4.025 30 40 CIEB CCOc1ccc(/C=N/Nc2nc3ccccc3s2)cc1 4177377 YYFXQDRFRHUASY-GZTJUZNOSA-N 297.383 4.141 30 40 CIEB CCSc1cc(CC)c(C#N)c2nc3ccccc3n12 12542254 YBPDQEOIWHLRFL-UHFFFAOYSA-N 281.384 4.034 30 40 CIEB CCOc1ccc(Cl)cc1/C=N/Nc1ccccc1 15932287 FUVOVEBAEOYASK-GZTJUZNOSA-N 274.751 4.185 30 40 CIEB Nc1ccc2ccccc2c1/N=C/c1ccccc1[N+](=O)[O-] 16930435 NSOJXGQEOBZSJB-YBFXNURJSA-N 291.310 4.081 30 40 CIEB C/C(C[C@H](c1ccccc1)N1CCc2ccccc2C1)=N\O 16973069 YASSBQUIPOISHI-NGYXKBBWSA-N 294.398 4.026 30 40 CIEB CCc1cccc(CC)c1/N=C/c1ccccc1O 104162266 FKNXFJSGWVGGRQ-LDADJPATSA-N 253.345 4.268 30 40 CIEB CC[C@H](C(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 64661 UXMHTKFSLHWTPM-AWEZNQCLSA-N 298.411 4.369 30 40 CIEB CC[C@@H](/N=C(/S)NC1CCCCC1)c1ccccc1 13931578 OMVKJUORDWRZNK-OAHLLOKOSA-N 276.449 4.346 30 40 CIEB Clc1ccc(Cl)c(/C=N/N2CCCCCC2)c1 17005035 WRWSPBQORASXPM-MHWRWJLKSA-N 271.191 4.203 30 40 CIEB CCCCN1c2ccc(C#N)cc2[C@@H](C)CC1(C)C 223774943 LVHUCNLISROHQC-ZDUSSCGKSA-N 256.393 4.451 30 40 CIEB C=CCOc1cccc(CNc2ccc(OCC)cc2)c1 409119252 RYAKJISCDHWUMQ-UHFFFAOYSA-N 283.371 4.262 30 40 CIEB Cc1ccc(N/N=C/c2cccc(OC(F)F)c2)cc1 5682910 YSTXODAOJZCTNV-VCHYOVAHSA-N 276.286 4.042 30 40 CIEB CCOc1ccc(/C=N/c2ccc(C)cc2)cc1OC 5953729 JKLMCUXLDHPQLG-LDADJPATSA-N 269.344 4.153 30 40 CIEB N#Cc1ccc(-c2csc(-c3ccsc3)n2)cc1 16941611 NMFCBMSSDCZTMS-UHFFFAOYSA-N 268.366 4.410 30 40 CIEB CCn1cc(/C=N/Nc2ccccc2)c2ccccc21 60512921 POKSURNPSFZLMX-LDADJPATSA-N 263.344 4.107 30 40 CIEB C=C(Br)Cc1ccc(Br)cc1F 71795229 MDUMGJMRRBEDHG-UHFFFAOYSA-N 293.961 4.039 30 40 CIEB Oc1ccc2ccccc2c1/C=N/c1ccc2c(c1)OCO2 100309701 LHLSHDHXGWXKME-VXLYETTFSA-N 291.306 4.025 30 40 CIEB Clc1ccc(/N=C/c2c(Cl)nc3sccn23)cc1 100334818 BVLNUTPTEIXYKZ-VIZOYTHASA-N 296.182 4.453 30 40 CIEB N#Cc1ccc(NC(=O)Nc2cccc3ccccc23)cc1 151588 ZWMGAYGYCXYGJO-UHFFFAOYSA-N 287.322 4.355 30 40 CIEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1O 575531 SQQVEWIDGUUBPR-WOJGMQOQSA-N 269.344 4.158 30 40 CIEB Cc1ccsc1/C=N/Nc1cc(C)c2ccccc2n1 5579858 OYLMZCNRGXPYJP-LICLKQGHSA-N 281.384 4.359 30 40 CIEB C=C[C@@](C)(O)C[C@@H]1[C@@](C)(O)CC[C@H]2C(C)(C)CCC[C@@]21C 5705857 HTYVNKCNBDAITQ-AEIBSFOJSA-N 294.479 4.307 30 40 CIEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 13302952 QJBHULYDXOHLFI-MHWRWJLKSA-N 289.722 4.084 30 40 CIEB Cc1cccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c1 14923131 QCIGBWVPXDBSIX-LZYBPNLTSA-N 290.706 4.013 30 40 CIEB N#Cc1ccccc1CNc1cccc2ccccc12 20039255 HLRWUQZCISVPCP-UHFFFAOYSA-N 258.324 4.324 30 40 CIEB CC(=C/c1ccccc1)/C=C1/Cc2ccccc2C1=O 48288042 NXDTVNQFZUKBCW-AMHNRXTASA-N 260.336 4.455 30 40 CIEB CCc1cc[n+](Cc2ccc(-c3ccccc3C#N)cc2)cc1 79047006 KBDIINDZYXAQAC-UHFFFAOYSA-N 299.397 4.123 30 40 CIEB O/N=C1/CCC=CCC[C@@H]1N1CCC(c2ccccc2)CC1 100964719 PYMZQDBDMGWPTK-LQYNXBFLSA-N 298.430 4.195 30 40 CIEB O/N=C1/CCCCCCCCCC[C@H]1n1cccn1 100964982 WVDXNDICKWPCMT-ARSNJYAISA-N 263.385 4.169 30 40 CIEB Cc1c(/C=C2\Cc3ccccc3C2=O)c2ccccc2n1C 409371520 KMHRGWUSGQYOSE-NTCAYCPXSA-N 287.362 4.309 30 40 CIEB C=C(Br)Cc1cc(Br)ccc1F 952958838 GNFQRCBSMLPNIH-UHFFFAOYSA-N 293.961 4.039 30 40 CIEB COc1cc(C#N)c(Oc2ccccc2)n1-c1ccccc1 507246 PNHOVZOFYIMVTG-UHFFFAOYSA-N 290.322 4.150 30 40 CIEB O=C(/C=C/c1ccccc1Cl)c1ccccc1[N+](=O)[O-] 6513712 PACIUMKGBFMUIQ-MDZDMXLPSA-N 287.702 4.144 30 40 CIEB C[C@@H](NCc1cccc(C#N)c1)c1ccccc1Cl 11038129 HRSPGNSLLXGHPC-GFCCVEGCSA-N 270.763 4.062 30 40 CIEB CCCCC1CCC(c2nc(C#N)c(NC)o2)CC1 27748641 CRKPRDJNQXSUAH-UHFFFAOYSA-N 261.369 4.052 30 40 CIEB CCOc1cccc(/C=N/c2ccccc2CC)c1O 44835957 WJFJSCGKSUGKAV-LDADJPATSA-N 269.344 4.104 30 40 CIEB CCCCN(C(=O)c1ccccc1)[C@@H](C#N)c1ccccc1 255188753 LIFZLORWTUTDOV-SFHVURJKSA-N 292.382 4.194 30 40 CIEB O=C1C(c2ccccc2)=C(c2ccccc2)C1(Cl)Cl 1647301 PZVIDSXGKLDCJM-UHFFFAOYSA-N 289.161 4.354 30 40 CIEB O=C(/C=C/c1cccs1)c1ccc(Cl)s1 4722924 MGBNVHNNELLVTE-ONEGZZNKSA-N 254.763 4.359 30 40 CIEB N#Cc1ccc(COC(=O)c2cc3ccccc3s2)cc1 5087387 WVKGUBQNEOSOQO-UHFFFAOYSA-N 293.347 4.130 30 40 CIEB CCCCCCCCCCCCCCNCC(=O)O 59957856 KKXGXWCLPVABEP-UHFFFAOYSA-N 271.445 4.362 30 40 CIEB C[C@H](O)c1cccc(/N=C/c2ccc3ccccc3c2O)c1 84711150 YYAXIUZXBZJSND-DZUMZMOTSA-N 291.350 4.349 30 40 CIEB Cc1oc(/N=C/c2c(O)ccc3ccccc23)c(C#N)c1C 100172785 UVBLBJBYHJFOCM-KEBDBYFISA-N 290.322 4.378 30 40 CIEB C=CCn1c(C#N)cc(N)c1Oc1cc(C(C)C)ccc1C 225886801 XBDJJHAFRIICIQ-UHFFFAOYSA-N 295.386 4.352 30 40 CIEB N#Cc1c(Sc2ccc(Cl)cc2)nc2sccn12 3041111 ZBQOGWJJKAPSKB-UHFFFAOYSA-N 291.788 4.072 30 40 CIEB O=C(/C=C/c1ccco1)/C=C/c1c[nH]c2ccccc12 4293425 MMGUYIDLIBARPC-XBLVEGMJSA-N 263.296 4.057 30 40 CIEB CCCOc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1 7718028 WBRXKXFSWKFCAM-LFYBBSHMSA-N 282.339 4.077 30 40 CIEB N#C/N=C(/Nc1ccc(F)cc1)SCc1ccccc1 18067566 FRQMFZYKHYJKIE-UHFFFAOYSA-N 285.347 4.008 30 40 CIEB C=CCOC(=O)c1cc(-c2ccccc2)nc2ccccc12 38439481 VSDVCKTXWATQAC-UHFFFAOYSA-N 289.334 4.245 30 40 CIEB N#Cc1ccc(CN2CCCC[C@H]2Cc2ccccc2)cc1 58419359 AWRXLDULYRRSGT-FQEVSTJZSA-N 290.410 4.155 30 40 CIEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1cccc(Cl)c1 4199183 VMTGDHXNEPVVMN-CXUHLZMHSA-N 274.707 4.307 30 40 CIEB C=C(C)C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 10109792 MBLGOHIHHGERNG-MDZDMXLPSA-N 297.379 4.159 30 40 CIEB N#Cc1c(-c2ccco2)cc(-c2cccs2)c(C#N)c1N 34213761 XXZJDDSMCWRGBQ-UHFFFAOYSA-N 291.335 4.001 30 40 CIEB CCOc1ccc(C(=O)/C=C/Nc2ccccc2CC)cc1 51318764 LFAOBUSBTKSVCI-BUHFOSPRSA-N 295.382 4.456 30 40 CIEB Cc1cccc(N/C=C2\Sc3ccccc3C2=O)c1 100146586 QTMZDUQLEJZWPL-GDNBJRDFSA-N 267.353 4.237 30 40 CIEB O=C(Cc1ccccc1)C1=C[C@H]2Cc3ccccc3[C@H]2C=C1 109120738 CASFQXBBJUEWGA-QUCCMNQESA-N 286.374 4.251 30 40 CIEB C=C(CCC(=O)c1ccccc1)C(=O)c1ccccc1 500340 RXIKILZUCOXFDO-UHFFFAOYSA-N 264.324 4.089 30 40 CIEB ON=C(CSc1ccccc1)CSc1ccccc1 1388273 VQBVANXRHICWME-UHFFFAOYSA-N 289.425 4.401 30 40 CIEB CCCCCCCc1nnc(S)n1-c1ccccc1 2376535 TUQAKXMNDMTCFO-UHFFFAOYSA-N 275.421 4.069 30 40 CIEB Cc1cc(Cl)ccc1NCc1ccc(C#N)cc1 21008963 MVABGKBLGZWVPI-UHFFFAOYSA-N 256.736 4.132 30 40 CIEB C/C=C/C(=O)c1cccc(OCc2ccccc2)c1 141565796 QJKQHDFMEYSFMK-FARCUNLSSA-N 252.313 4.024 30 40 CIEB CCCCc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1 2144685 AYXDKTAFUKJPFK-UHFFFAOYSA-N 296.345 4.292 30 40 CIEB C=CCOc1ccc(NC(=O)/C=C/c2ccc(C)cc2)cc1 14039193 BJOZLKLVAUCKMP-MDWZMJQESA-N 293.366 4.212 30 40 CIEB CCc1nc(N)c(C#N)c(-c2ccc(C(C)C)cc2)c1C 18142880 BECWOSZSZQSUOC-UHFFFAOYSA-N 279.387 4.197 30 40 CIEB Cc1cc(C)c(/C=N/OCc2ccccc2)c(C)c1 58542834 BTBFVEZVCKYVEZ-WOJGMQOQSA-N 253.345 4.163 30 40 CIEB CC[C@H](C)n1c(C#N)cc(N)c1Oc1ccccc1Cl 225881053 WZBAMAJTEQUVEY-JTQLQIEISA-N 289.766 4.359 30 40 CIEB C[C@H]1CCc2cccc3c2N1c1cc(C#N)c(C#N)cc1O3 34397 JCYACCBTORWINZ-NSHDSACASA-N 287.322 4.008 30 40 CIEB aggregator CCCCC[C@H](CN(C)C)C(=O)/C=C/c1ccc(C)cc1 1575875 LITJQCLCLXFLBN-KAUXGEHWSA-N 287.447 4.335 30 40 CIEB Cc1cc(N(C)C)ccc1/N=N/c1ccc(C#N)cc1 4114035 DIQPGZOPZPHNGV-VHEBQXMUSA-N 264.332 4.348 30 40 CIEB N#CCCCCSc1nc2ccccc2n1C(F)F 89873314 VPOXVXNPUZQNJD-UHFFFAOYSA-N 281.331 4.217 30 40 CIEB CC(C)(C)c1ccc([C@H](OC[C@@H]2CO2)C(F)(F)F)cc1 95096049 VIGKPLYJWOOPRX-STQMWFEESA-N 288.309 4.003 30 40 CIEB Cc1ccc(C(=O)/N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)cc1 100911723 QHRWIYCBIBBJQB-ANIDXDNHSA-N 269.388 4.422 30 40 CIEB Cn1cccc1/C=N\c1ccc(Cl)cc1Cl 409105758 OJJFJHGIHKWQON-NVNXTCNLSA-N 253.132 4.083 30 40 CIEB C=CCOc1c(Cl)cc(Cl)c2cccnc12 2171305 LJWDDDAGHGIENW-UHFFFAOYSA-N 254.116 4.106 30 40 CIEB N#C[C@H](NCc1ccccc1)c1ccc(Cl)c(Cl)c1 20421380 ZHVNHVHWCPTXII-HNNXBMFYSA-N 291.181 4.348 30 40 CIEB Cc1ccc(C/N=C/c2ccc3ccccc3c2O)cc1 100248568 JXJKTFXTPSOUMM-DEDYPNTBSA-N 275.351 4.473 30 40 CIEB C=C(Cl)CCc1cc(F)ccc1Br 710679434 OMDVGUMJTCYKDK-UHFFFAOYSA-N 263.537 4.273 30 40 CIEB CC(C)(C)NC/C(=C/c1ccccc1)C(=O)c1ccccc1 4991039 PYGLETLOMHWMRC-JXAWBTAJSA-N 293.410 4.341 30 40 CIEB COc1ccc2ccc(OCc3cccc(C#N)c3)cc2c1 12757006 RXTRYKUSIJNFCE-UHFFFAOYSA-N 289.334 4.299 30 40 CIEB CCc1c(Br)cc(C#N)n1C1CCCCC1 225305917 ZQDVIFJKLUWPRU-UHFFFAOYSA-N 281.197 4.190 30 40 CIEB CC1(C)O[C@H](c2ccccc2)O/C1=C\C(=O)c1ccccc1 409024495 YYIYUPGWBKTTSP-MTMYEVCSSA-N 294.350 4.277 30 40 CIEB CCOc1ccc(/C=N/c2cc(C)ccc2C)cc1 587491 JWIAZCXBIWUWQB-LDADJPATSA-N 253.345 4.453 30 40 CIEB CCCCCCC(=O)/C=C/c1ccccc1OCOC 1563374 WFGREEPSMLZTEN-OUKQBFOZSA-N 276.376 4.222 30 40 CIEB CCCCCCCCCCOc1ccc(C(N)=O)cc1 2512529 HROAZOWBCJDYFT-UHFFFAOYSA-N 277.408 4.305 30 40 CIEB CCCCCCSc1nc(C)cc(COC)c1C#N 3663496 IGVBKRITUONCKZ-UHFFFAOYSA-N 278.421 4.081 30 40 CIEB O/N=C1/[C@H]2CC[C@@H](C2)[C@@H]1Nc1cc(Cl)cc(Cl)c1 100964767 LLXIFXJUEJRWLX-BRYLYPNVSA-N 285.174 4.034 30 40 CIEB CCOc1ccc(/N=C\c2cccc(OCC)c2)cc1 409202415 QJVADFNARAPZNN-AQTBWJFISA-N 269.344 4.235 30 40 CIEB Cc1ccsc1/C=C/C(=O)c1ccc(-n2ccnc2)cc1 6276379 OQEPFNRAYOVUCV-VOTSOKGWSA-N 294.379 4.138 30 40 CIEB C=CCNc1nc(-c2cc(C)sc2C)cs1 8296811 ZVDBOJYHKGEVPO-UHFFFAOYSA-N 250.392 4.086 30 40 CIEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\Nc1ccccc1 13403907 LBVBAIXYJUONAC-FQOIDOLOSA-N 255.361 4.008 30 40 CIEB COc1ccc(/C=C2\C(=O)[C@@H](C(C)C)CC[C@H]2C)cc1 32109268 QSTJFIAMUAVWAO-ZLLMVIPJSA-N 272.388 4.350 30 40 CIEB biogenic CC1=C/C(=N\Nc2nc3ccccc3[nH]2)CC(C)(C)C1 33044164 CVCVVOFXKJAWAL-XDHOZWIPSA-N 268.364 4.097 30 40 CIEB O=C(Nc1ccc(Cl)cc1)O/N=C/c1ccc(F)cc1 315509 DYCXXBIASQZWKD-RQZCQDPDSA-N 292.697 4.062 30 40 CIEB C/C(=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C 5832894 CZMCNWAOGNFFSO-LZYBPNLTSA-N 289.257 4.057 30 40 CIEB O=C(/C=C/c1c(O)ccc2ccccc12)c1ccccc1 6514537 BULMFFWOBSTTTQ-ACCUITESSA-N 274.319 4.442 30 40 CIEB CCCCCCCC(=O)c1ccc(OC)c(OC)c1 59211581 GRFGDLJNWQCSQL-UHFFFAOYSA-N 264.365 4.247 30 40 CIEB CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1O 506003 WEGUKEBXMKHOHE-LICLKQGHSA-N 275.735 4.195 30 40 CIEB Cc1ccc(CCC(=O)Nc2cccc(C#N)c2)cc1Cl 12608690 LGKNKBKWSGQNOL-UHFFFAOYSA-N 298.773 4.091 30 40 CIEB Cc1ccc(NCc2ccc(C#N)cc2)c(Cl)c1 20314055 IIDMPFCVTKWONC-UHFFFAOYSA-N 256.736 4.132 30 40 CIEB CCCCCCCCCC[N+]1(C)[C@H]2CC[C@@H]1CC(O)C2 100301030 VYCXSKHVAUYCSH-LPOKXYRGSA-N 282.492 4.259 30 40 CIEB CC(=O)/C=C/c1cn(Cc2ccccc2)c2ccccc12 158023 CETLWDZPWCZVAP-VAWYXSNFSA-N 275.351 4.292 30 40 CIEB CCN(CC)CC#CC(c1ccccc1)c1ccccc1 1295976 IGRUZQSJOFTRTG-UHFFFAOYSA-N 277.411 4.164 30 40 CIEB C=C(C)COc1cccc(C(=O)NCCC2=CCCCC2)c1 10372914 NSFJSWOVYRKFRX-UHFFFAOYSA-N 299.414 4.262 30 40 CIEB Cc1ccc(-c2ccc(C#N)c(SCCCC#N)n2)cc1 33011158 GIDUBPJJXIDKSG-UHFFFAOYSA-N 293.395 4.325 30 40 CIEB Oc1ccc(Cl)cc1/C=N/Cc1ccc(F)c(Cl)c1 44835606 KZPAWIDPOYEKJG-QGMBQPNBSA-N 298.144 4.457 30 40 CIEB CCCN(CC#Cc1cc(Cl)cc(Cl)c1)CCC 95632931 RSIUGUUDMGFCEV-UHFFFAOYSA-N 284.230 4.467 30 40 CIEB CCCCn1c(C#N)cc(N)c1Oc1ccccc1Cl 225880977 HAUIPDPWDDWISS-UHFFFAOYSA-N 289.766 4.188 30 40 CIEB Cc1ccc(NC2=CC(=O)C[C@H](c3ccco3)C2)cc1C 408751569 ZMIZFLFSRGILQA-CQSZACIVSA-N 281.355 4.339 30 40 CIEB Cc1ccc(C(=O)/C=C/Oc2ccc(Cl)cc2)cc1 2573740 HJQRYGMGARTJJQ-ZHACJKMWSA-N 272.731 4.424 30 40 CIEB C/C(=N\Nc1ccc(C)c(Cl)c1)c1ccc(C#N)cc1 4924816 QUNMQJOVQFYHMT-XDHOZWIPSA-N 283.762 4.356 30 40 CIEB Cc1ccc(Cl)cc1N/C(S)=N/C(C)(C)C 13820523 AQLNAHSHLSTNQE-UHFFFAOYSA-N 256.802 4.145 30 40 CIEB Cc1ccc(/C=C2/C(=O)[C@]3(C)CC[C@H]2C3(C)C)cc1 13831141 HEOCBCNFKCOKBX-RELGSGGGSA-N 254.373 4.404 30 40 CIEB fda Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(N)n2)cc1 19832447 OJXMIUIXQCURCZ-UHFFFAOYSA-N 285.350 4.178 30 40 CIEB CCCCCCCCCCSCCSC(=N)N 97966188 LPAYNEJETZUCJU-UHFFFAOYSA-N 276.515 4.487 30 40 CIEB Oc1ccc2ccccc2c1C=Nc1ccc(Cl)cn1 253618439 MBTVWUYRVPSNKS-UHFFFAOYSA-N 282.730 4.344 30 40 CIEB N#Cc1ccc(/C=N/c2ccc(OC(F)(F)F)cc2)cc1 273854 BMXLYDMPODGISR-KEBDBYFISA-N 290.244 4.207 30 40 CIEB CSc1ccc(/C=C/C(=O)c2ccc(N(C)C)cc2)cc1 6337842 OBXFUYLCKQZRDJ-AWNIVKPZSA-N 297.423 4.371 30 40 CIEB N#C[C@H](CC(=O)c1ccccc1)c1ccccc1Cl 6514576 IERKUBFHQMKYFL-ZDUSSCGKSA-N 269.731 4.220 30 40 CIEB C/C(=N/N=N/c1ccc(N(C)C)cc1)c1ccccc1 17141722 YALGVJXYPMFGQI-ILMMDERFSA-N 266.348 4.261 30 40 CIEB CC(C)c1ccc(C(=O)/C=C/Nc2cccc(C#N)c2)cc1 51318649 CBBUCBSDZOERKJ-ZHACJKMWSA-N 290.366 4.490 30 40 CIEB O/N=C(\Nc1ccc(Cl)cc1)c1cccc(Cl)c1 5891778 MMTGWOMTQJFMQO-UHFFFAOYSA-N 281.142 4.241 30 40 CIEB Cc1cc(C)c(C(=O)[C@@H](C)Oc2cccc(C#N)c2)cc1C 6401365 BOARAVHTLZDRPZ-OAHLLOKOSA-N 293.366 4.134 30 40 CIEB O/N=C(\Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 13145063 UIARFHIUIZVHPH-UHFFFAOYSA-N 281.142 4.241 30 40 CIEB N#CCc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 15028865 YJQVMSXOFIYHRD-BJMVGYQFSA-N 296.757 4.058 30 40 CIEB CC(C)(C)Oc1ccc(C#C[C@](C)(O)c2ccccc2)cc1 95631448 JMIZIBJFXCJGMB-FQEVSTJZSA-N 294.394 4.123 30 40 CIEB Cc1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1Cl 64980 GULWFLYLYWKOPU-CXUHLZMHSA-N 274.707 4.307 30 40 CIEB Cc1ccc(Nc2oc(-c3ccccc3)nc2C#N)cc1 192198 QYHFLFDBQGSLCO-UHFFFAOYSA-N 275.311 4.265 30 40 CIEB O=[N+]([O-])c1ccc(-n2cccc2/C=N\C2CCCCC2)cc1 222417 VZZQFQXHVWHRSH-AQTBWJFISA-N 297.358 4.137 30 40 CIEB CC[C@@H]1/C(=N/O)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 5247800 KELKCHCDSYUMCO-UABSMTKQSA-N 294.398 4.319 30 40 CIEB N#C[C@@H](NCc1ccccc1)c1ccc(Cl)c(Cl)c1 20421382 ZHVNHVHWCPTXII-OAHLLOKOSA-N 291.181 4.348 30 40 CIEB CCCCN(C)C(=O)c1ccccc1-c1ccccc1C#N 25615641 DGQSPQGGRDFBBC-UHFFFAOYSA-N 292.382 4.097 30 40 CIEB O/N=C/c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 49888121 RMCZGFZTCHHCNV-UBKPWBPPSA-N 289.640 4.427 30 40 CIEB C=C(C)C[C@@H](NCc1ccco1)c1ccc(C)cc1 300130 KFBRGCKMQKZGPT-QGZVFWFLSA-N 255.361 4.385 30 40 CIEB Cc1ccc([N+](=O)[O-])cc1/N=C/C=C/c1ccccc1 3155787 JQOUENQFWYSKLI-NSYQEJESSA-N 266.300 4.319 30 40 CIEB CCCCSc1nc2cc(C)ccc2cc1C#N 4125258 JIWCUQFGVUFKGT-UHFFFAOYSA-N 256.374 4.307 30 40 CIEB C[C@@H]1O[C@@H]1c1ccc(-c2ccc([C@H]3O[C@@H]3C)cc2)cc1 4429632 DKPSJBDPZNTLCN-CMKMFDCUSA-N 266.340 4.273 30 40 CIEB C[C@H](Nc1ccc(C(F)(F)F)cn1)c1ccc(C#N)cc1 37502098 KFESUZOXAVGHFG-JTQLQIEISA-N 291.276 4.145 30 40 CIEB CCCCCCCc1ccc(C(=O)c2ncco2)cc1 100291823 MRXGKVRRZFNTBW-UHFFFAOYSA-N 271.360 4.419 30 40 CIEB Cc1ccsc1/C=C1\Sc2ccccc2C1=O 32822 CCQGXTWCNIHFNX-JYRVWZFOSA-N 258.367 4.386 30 40 CIEB COc1cccc([C@H](c2ccccc2)C(CC#N)CC#N)c1 1632893 UTNFQFVYIRZMSP-LJQANCHMSA-N 290.366 4.271 30 40 CIEB COc1ccc(C(=O)/C=C\c2ccc(Cl)s2)cc1 33380868 RZEWEEDSDLMUPT-VURMDHGXSA-N 278.760 4.306 30 40 CIEB CC(=O)[C@H]1CC=C2[C@H]3CCC4=CC(=O)C[C@@]4(C)[C@@H]3CC[C@@]21C 33646620 HXWUFSAWLIMZRZ-YKXHTNLXSA-N 298.426 4.254 30 40 CIEB N#Cc1ccccc1CSCc1ccc(F)c(F)c1 96953174 MKDQCPPZJFPQBR-UHFFFAOYSA-N 275.323 4.270 30 40 CIEB C=C(C)/C(=N/c1ccc(Cl)c(Cl)c1)N(C)C 104364759 DZCJHXLWOJDFAK-QINSGFPZSA-N 257.164 4.161 30 40 CIEB Cc1ccc(C(=O)/C=C/c2cccc(F)c2)cc1C 5129015 ZIPWBWMKWOPULU-VQHVLOKHSA-N 254.304 4.339 30 40 CIEB Cc1cc(C)c(/C=C/C(=O)c2ccc(Cl)cc2)[nH]1 5361429 ULIJCJZXTGRXCH-BQYQJAHWSA-N 259.736 4.181 30 40 CIEB N#Cc1cccc(CNCc2ccc(Cl)cc2Cl)c1 11037635 GWJIFCCNTMXGRP-UHFFFAOYSA-N 291.181 4.155 30 40 CIEB N#Cc1ccc(N[C@H](Cc2ccccc2)c2ccccc2)nc1 12864990 VUGCSAXPJPWEST-LJQANCHMSA-N 299.377 4.349 30 40 CIEB Cc1ccc(C)c(N/N=C2\C(O)=Nc3c(C)cccc32)c1 46589067 LEIDBGRDVFWMDS-UHFFFAOYSA-N 279.343 4.030 30 40 CIEB COc1ccccc1/N=C/c1cccn1-c1ccccc1 59247906 ONXROVDNOMUQJV-XMHGGMMESA-N 276.339 4.237 30 40 CIEB N#CC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1CC#N 255187879 HHZFNRNRVYFBFT-VCWRXUFXSA-N 284.362 4.337 30 40 CIEB COc1ccc(C(=O)/C=C/Nc2ccc(Cl)cc2)cc1 174197 BMJRMMGEONWREH-ZHACJKMWSA-N 287.746 4.157 30 40 CIEB N#C[C@H](c1ccc(Cl)cc1)[C@@H](C#N)c1ccccc1 1597912 SFLZVFHERLBKMO-JKSUJKDBSA-N 266.731 4.255 30 40 CIEB Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(O)cc1 6792616 MVHUOKNNUSTOON-UDWIEESQSA-N 298.361 4.191 30 40 CIEB CCCC[C@@](C)(CN(C)C)C(=O)/C=C\c1ccccc1 17109337 SZJDJHCRIWFKTF-SQVRQVGWSA-N 273.420 4.027 30 40 CIEB CCCCCCCCCC(=O)Nc1ccc(C)cn1 97960065 NVPIDQJJOTUSDC-UHFFFAOYSA-N 262.397 4.469 30 40 CIEB CC(C)(C)OC(=O)Nc1ccc2c(C#N)cccc2c1 198498984 PVTKPUIVOZEIPL-UHFFFAOYSA-N 268.316 4.058 30 40 CIEB Cc1ccccc1C(=O)C(F)(F)C(F)(F)C(F)(F)F 575358861 VEYUHEYOIISMKS-UHFFFAOYSA-N 288.162 4.011 30 40 CIEB O=C1/C(=C\c2c[nH]c3ccccc23)CCc2ccccc21 481213 HWOXATFBXDOPSD-KAMYIIQDSA-N 273.335 4.380 30 40 CIEB CCCCCCCCNC(=O)c1ccccc1OCC 2057708 WZABZQVDMHLTKA-UHFFFAOYSA-N 277.408 4.176 30 40 CIEB CCCCCCCCCCCc1nnc(S)[nH]1 2306680 CGWFNPDDDJTNOK-UHFFFAOYSA-N 255.431 4.167 30 40 CIEB C=CCn1c(NCc2ccc(Cl)cc2)nc2ccccc21 2478052 SOYAMZLNNQGNBG-UHFFFAOYSA-N 297.789 4.488 30 40 CIEB O=C1/C(=C/c2ccco2)CCCC/C1=C\c1ccco1 4863077 CKILMMKVHNDOEL-PHEQNACWSA-N 268.312 4.483 30 40 CIEB C=CCNc1nc(-c2c[nH]c3c(CC)cccc23)cs1 7786799 DOWJJMQPPFIWML-UHFFFAOYSA-N 283.400 4.452 30 40 CIEB Cc1ccc(NCc2cc(C#N)ccc2F)c(Cl)c1 20362976 GLUFZPBKWNVIOD-UHFFFAOYSA-N 274.726 4.271 30 40 CIEB C(=N/N=C/c1ccc2c(c1)CCC2)\c1ccc2c(c1)CCC2 25666666 MTDMQIPYYJFPMB-JFMUQQRKSA-N 288.394 4.117 30 40 CIEB O=C1C=C(c2ccccc2)C/C1=C\c1ccc([N+](=O)[O-])cc1 28627824 GYMLICLPTZESML-MHWRWJLKSA-N 291.306 4.035 30 40 CIEB CC1(C)[C@H]2CC[C@@]1(C)[C@@](C#N)(Nc1ccccc1)C2 100398783 CTISDAYLFQVGTJ-IAOVAPTHSA-N 254.377 4.207 30 40 CIEB CC(C)/C(=N/c1ccc(Cl)c(Cl)c1)N(C)C 104364746 MKSBAFUUOBPPCX-QINSGFPZSA-N 259.180 4.241 30 40 CIEB C=CCc1cc(C=O)ccc1OCc1ccccc1Cl 408849540 XDHOGJFAQWCKHP-UHFFFAOYSA-N 286.758 4.460 30 40 CIEB C#CCn1c(C)c(/C=N/Nc2ccccc2)c2ccccc21 409265603 NAWZRBOXKAOXKR-XSFVSMFZSA-N 287.366 4.029 30 40 CIEB C#CC1(OC(=O)Nc2cc3ccccc3o2)CCCCC1 1627515 AQXBMNPSNIUVFI-UHFFFAOYSA-N 283.327 4.317 30 40 CIEB Cc1cc(C)cc(NC2=CC(=O)C[C@H](c3ccco3)C2)c1 17015808 GOTWOIBOGABBNR-CQSZACIVSA-N 281.355 4.339 30 40 CIEB C=CCOc1cccc(NC(=O)c2ccc(C)c(C)c2)c1 65749497 HIRAZXIEARLYMB-UHFFFAOYSA-N 281.355 4.121 30 40 CIEB N#C[C@@]1(CCC[C@@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]2C=C[C@H]1C2 104065368 IARXVRLPSUMQLG-NWCWSAAOSA-N 253.389 4.475 30 40 CIEB C=CCc1ccccc1OCc1nc2cc(C)ccc2[nH]1 4426970 HUGGVADSCXEGIW-UHFFFAOYSA-N 278.355 4.179 30 40 CIEB Cc1ccc(/C=N/Nc2ncc(Cl)cc2Cl)s1 5868209 VIYPCMSAFNCFIA-GIDUJCDVSA-N 286.187 4.204 30 40 CIEB Clc1ccc(/C=N/[C@@H]2C[C@H]2c2ccccc2)cc1 16034226 SEJGJJWQNRGYNI-CHOUFLSKSA-N 255.748 4.315 30 40 CIEB CC[C@H](C)C[C@](C)(O)C#Cc1ccc(Cl)c(F)c1 95633356 INRSWNYICCNBIC-XHDPSFHLSA-N 268.759 4.018 30 40 CIEB CCc1cccc(/C=C/C(=O)c2nc3ccccc3[nH]2)c1 95945881 CLANTXZECFCUJK-ZHACJKMWSA-N 276.339 4.021 30 40 CIEB CO[C@H](C)c1ccccc1/C(C)=C1/Nc2ccccc2C1=O 104151386 SUZMIJDQPFEGDE-RNEAKCBISA-N 293.366 4.433 30 40 CIEB CCCCCn1c(C#N)cc(N)c1Cc1cccc(C)c1 225852962 UEWUTJPDQKPLSJ-UHFFFAOYSA-N 281.403 4.031 30 40 CIEB COc1cccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)c1 409107047 PWUBTKNENKFNJE-CXUHLZMHSA-N 290.706 4.007 30 40 CIEB N#Cc1ccsc1NC(=O)c1cccc2ccccc12 2692896 ZCNQAJIZIMKIDE-UHFFFAOYSA-N 278.336 4.025 30 40 CIEB Cc1cc(/N=C\c2cc(Cl)ccc2O)ccc1F 40477024 WADGOOJVZJKKBA-IUXPMGMMSA-N 263.699 4.244 30 40 CIEB CC(C)=CC(=O)c1cccc(OCc2ccccc2)c1 137301301 ADJJOZMQBDERCY-UHFFFAOYSA-N 266.340 4.415 30 40 CIEB CC[C@H](C)n1c(C#N)cc(N)c1Oc1ccc(Cl)cc1 225882196 JCUMTAXSBOUSLD-JTQLQIEISA-N 289.766 4.359 30 40 CIEB C=CCCC(=O)c1cc(OC(F)(F)F)ccc1Cl 575361526 OYMFORFOWDYIIM-UHFFFAOYSA-N 278.657 4.388 30 40 CIEB Oc1cccc(/N=C\c2c(O)ccc3ccccc23)c1 61271 YQOYKUDGUDTBLW-WQRHYEAKSA-N 263.296 4.002 30 40 CIEB CCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 1816496 NKYJDOLHVMIKGE-UHFFFAOYSA-N 286.463 4.305 30 40 CIEB C=C(C)C[N+](C)(C)Cc1c(C)ccc2ccccc12 3155255 VBSPHGUHOKSVAQ-UHFFFAOYSA-N 254.397 4.301 30 40 CIEB C=C(C)[C@H]1CC=C(C)C(=NNc2ccccc2[N+](=O)[O-])C1 4178016 BLJLQRKYWHELPR-ZDUSSCGKSA-N 285.347 4.295 30 40 CIEB C[C@@H]1C(=NO)[C@@H](C)[C@H](c2ccccc2)N[C@@H]1c1ccccc1 4714100 XIRQHDWKOLWYKM-OHHBCXFOSA-N 294.398 4.175 30 40 CIEB C(=C\c1ccccc1)\C=N/N=C\C=C\c1ccccc1 8579388 MIBXLDBZXACZIE-SZYOBFLHSA-N 260.340 4.470 30 40 CIEB Cc1cc(C)c(/C=C/C(=O)c2ccc(C#N)cc2)cc1C 15554480 ZOZWTYYDZZQGPG-CMDGGOBGSA-N 275.351 4.380 30 40 CIEB N#Cc1ccc(-c2ccc(-c3ccc(C#N)cc3)o2)cc1 32267552 JVFLSYUMYIPFBA-UHFFFAOYSA-N 270.291 4.357 30 40 CIEB biogenic,in-vitro CSc1cc(C(F)(F)F)c2c(c1C#N)CCCC2 48229521 WSJORTCIQZFCFQ-UHFFFAOYSA-N 271.307 4.178 30 40 CIEB Cc1oc(-c2ccco2)nc1CSCCCCC#N 95419526 GVNHWOHRDMWRTG-UHFFFAOYSA-N 276.361 4.170 30 40 CIEB C=CCc1cc(/C=N\c2ccccc2F)cc(OCC)c1O 408845908 NMICLDBUHGXEER-NDENLUEZSA-N 299.345 4.409 30 40 CIEB N#Cc1ccccc1/N=C/c1cc(Cl)cc(Cl)c1O 46259 LUOVJHHSWSYMDD-QGMBQPNBSA-N 291.137 4.321 30 40 CIEB Cc1ccc(O)c(C(=O)/C=C/C=C/c2ccccc2)c1 2178990 PGDIWOVYIAWDDQ-NXZHAISVSA-N 264.324 4.153 30 40 CIEB COc1ccc(/C=N/c2ccc(C)cc2)cc1Cl 8371865 KCPYGMZDOAIPSU-LICLKQGHSA-N 259.736 4.408 30 40 CIEB N#CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 19723482 QKOKEANWPMIWNV-UHFFFAOYSA-N 267.372 4.057 30 40 CIEB C[C@@H](Nc1ncccc1C#N)c1cccc(C(F)(F)F)c1 25279900 IMBBLTPAWVISIW-SNVBAGLBSA-N 291.276 4.145 30 40 CIEB O=C(/C=C\C(Cl)(Cl)Cl)c1ccc(Cl)cc1 33374024 ZBZHSFZLHPVIEA-WAYWQWQTSA-N 283.969 4.449 30 40 CIEB C(=N/c1ccccc1)\c1ccc(N2CCCC2)cc1 39207472 MJJOHRXMCGKBRB-NBVRZTHBSA-N 250.345 4.037 30 40 CIEB COc1cc2ccccc2cc1/C=C/C(=O)c1ccco1 75149038 UWDMLMHUSINGSY-CMDGGOBGSA-N 278.307 4.338 30 40 CIEB CC(C)(C#N)CC[S@@](=O)Cc1cccc2ccccc12 195567921 LDWKSJARBPLGMT-HXUWFJFHSA-N 285.412 4.028 30 40 CIEB Cc1nc(C#C[Si](C)(C)C)c2ccccc2c1C 225747786 GYFOTRRWHUSDMP-UHFFFAOYSA-N 253.421 4.081 30 40 CIEB CCOc1cccc(/C=N\c2ccc(C)c(C)c2)c1 409201844 OETBYDZRIVGQIE-PDGQHHTCSA-N 253.345 4.453 30 40 CIEB C[n+]1ccc(/C=C/c2ccc(C#Cc3ccccc3)cc2)cc1 5002281 YUDYACKILKOZKU-BUHFOSPRSA-N 296.393 4.081 30 40 CIEB c1ccc(-c2csc(NN=C3CCCC3)n2)cc1 7350034 WUSIIHCESPBBHG-UHFFFAOYSA-N 257.362 4.152 30 40 CIEB biogenic,in-vivo Cc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1O 72333042 PZVFIOMYGOGDRQ-SOFGYWHQSA-N 272.731 4.250 30 40 CIEB C=CCc1cc(C(=O)Nc2ccccc2CC)ccc1OC 14401119 GUDCVZZQFBAODI-UHFFFAOYSA-N 295.382 4.238 30 40 CIEB O=C(c1ccc(C(F)(F)F)cc1C(F)(F)F)C(F)F 575242760 HMTYRFYRBLGJLW-UHFFFAOYSA-N 292.125 4.172 30 40 CIEB CN1C(=CC=Nc2ccccc2)C=Cc2ccccc21 2033499998 VKAYIEVWCWYMCO-UHFFFAOYSA-N 260.340 4.436 30 40 CIEB CCOc1ccccc1/C=N/c1cccc(C(C)=O)c1 66038 DBOWMZZJRVANND-LDADJPATSA-N 267.328 4.039 30 40 CIEB CCn1cc(/C=N/c2oc(C)c(C)c2C#N)c2ccccc21 561443 CRGASXYFSHKAEB-KEBDBYFISA-N 291.354 4.493 30 40 CIEB COc1ccc(C(=O)/C=C/Nc2cccc(Cl)c2)cc1 18066279 VJGAFRNSDPXSEX-MDZDMXLPSA-N 287.746 4.157 30 40 CIEB Oc1ccccc1/C=N/CCC12CC3CC(CC(C3)C1)C2 95307978 BRFRJKBSPNWKQD-DEDYPNTBSA-N 283.415 4.418 30 40 CIEB Cc1ccccc1/N=C\c1ccc(N2CCCC2)cc1 103572648 LSGWKNFHVZHWFW-RGEXLXHISA-N 264.372 4.346 30 40 CIEB Cc1cc(C)c(/N=C/c2ccc([N+](=O)[O-])cc2)c(C)c1 484676 CFWGNQKDOHOYMZ-LICLKQGHSA-N 268.316 4.271 30 40 CIEB N#Cc1ccc(Oc2ncnc3sccc23)c(Cl)c1 8745629 IVWGSIVZBKGCLP-UHFFFAOYSA-N 287.731 4.009 30 40 CIEB C=C(Br)Cc1ccc(C(C)(C)C)cc1 63067804 PBDHFPPZLPMVQN-UHFFFAOYSA-N 253.183 4.435 30 40 CIEB CC(=O)O/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 85346669 UTEGDNADIXTILM-FRKPEAEDSA-N 298.125 4.150 30 40 CIEB CCCCCCCCCCCC[C@@H](O)CC(=O)O 100500553 ATMSEJBABXCWDW-CQSZACIVSA-N 258.402 4.133 30 40 CIEB C#Cc1cccc(OCc2cccc(C(F)(F)F)c2)c1 138202820 CTWVRXJZIJWWRR-UHFFFAOYSA-N 276.257 4.266 30 40 CIEB COc1ccccc1N=Cc1ccc2ccccc2c1O 260840633 PCFCGSXZRQVKDQ-UHFFFAOYSA-N 277.323 4.305 30 40 CIEB Oc1cccc(/C=N/c2ccc(Cl)c(Cl)c2)c1O 298213 CPLGBXIGKHBDLW-FRKPEAEDSA-N 282.126 4.155 30 40 CIEB C=CC[N+](CC)(CC)CC#Cc1cccc2ccccc12 2255613 GEIPSTGAERSWSX-UHFFFAOYSA-N 278.419 4.234 30 40 CIEB Cc1ccccc1-c1c2c([nH]c(=S)c1C#N)CCCC2 4278832 OAGCLDIOORZYSA-UHFFFAOYSA-N 280.396 4.470 30 40 CIEB Cc1ccc(C(=O)/C=C/c2ccc(Br)s2)o1 12978741 VZHOFLUQASLGIL-HWKANZROSA-N 297.173 4.308 30 40 CIEB O=NN1[C@H](c2ccccc2)CC(=NO)C[C@@H]1c1ccccc1 16958295 VNAFUGYZYRNVJV-CALCHBBNSA-N 295.342 4.076 30 40 CIEB Cc1ccc(/C=C\C(=O)C(C)(C)CN2CCCCC2)cc1 17212635 DMJPCCYONRHOHM-QXMHVHEDSA-N 285.431 4.089 30 40 CIEB C=CCSc1ccccc1NC(=O)c1occc1C 21669059 PIJNWVXLDVPFDH-UHFFFAOYSA-N 273.357 4.118 30 40 CIEB CCCCOc1ccc(C=Nc2ccc(C#N)cc2)cc1 254291225 JWLPZJPDDBBWQD-UHFFFAOYSA-N 278.355 4.488 30 40 CIEB CC(C)/N=C(/Nc1ccc(Cl)cc1)c1ccncc1 1391473 IYAFXVCVHBMTSZ-UHFFFAOYSA-N 273.767 4.002 30 40 CIEB in-vitro CCCCCCCCOC(=O)c1ccc(N(C)C)cc1 2032895 YAGMLECKUBJRNO-UHFFFAOYSA-N 277.408 4.270 30 40 CIEB in-vitro CCOc1cc(C#N)cc(Cl)c1OCc1ccccc1 2760946 ROANGAYSIFGXMF-UHFFFAOYSA-N 287.746 4.189 30 40 CIEB N#CC1(c2ccccc2)c2ccccc2C(=O)c2ccccc21 4015144 WTOXOZKSLOZKHY-UHFFFAOYSA-N 295.341 4.089 30 40 CIEB Oc1c(/C=N/c2ccc(F)cc2)ccc2ccccc12 32101564 AAJMTOIAQZLPSA-YBFXNURJSA-N 265.287 4.435 30 40 CIEB CCCCCCCCCCCC[C@H](O)CC(=O)O 100500548 ATMSEJBABXCWDW-AWEZNQCLSA-N 258.402 4.133 30 40 CIEB COc1cc(C)c(/C=N/c2cccc(Cl)c2)cc1OC 408549441 SVNTWPCSRSFNKB-VCHYOVAHSA-N 289.762 4.416 30 40 CIEB C#CCOc1ccc(Cl)cc1CNc1cccc(C)c1 409118267 NOGUJFLAVXYEQV-UHFFFAOYSA-N 285.774 4.273 30 40 CIEB O=C1OC(c2ccccc2)=C/C1=N/c1ccc(Cl)cc1 107640 CZLFNQQJTFHNCY-JXAWBTAJSA-N 283.714 4.010 30 40 CIEB C/C(=N/Nc1nnc(Cl)c2ccccc12)c1ccccc1 4311619 SDNMZBJJMVNHDA-WQRHYEAKSA-N 296.761 4.119 30 40 CIEB CCCOC(=O)c1ccc(/N=C/c2cccc(C)c2)cc1 5431146 GKWBLBVAMCFPJG-CPNJWEJPSA-N 281.355 4.312 30 40 CIEB CC1(C)[C@H]2CC[C@]1(C)/C(=N/Nc1ccccc1)C=C2O 6257808 SGPKIYNXUCMLNP-GNVSXLNQSA-N 270.376 4.353 30 40 CIEB O=C1C=C[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C=C1 100359036 XODKHBBNAGXRQK-IKJYFWGWSA-N 284.358 4.205 30 40 CIEB Cc1c(/C=N/c2cccc([N+](=O)[O-])c2)oc2ccccc12 101672417 AKNYGIJATGJSGI-LICLKQGHSA-N 280.283 4.400 30 40 CIEB CCCN1c2cc(C)c(C#N)cc2[C@@H](C)CC1(C)C 223775190 XYTZEQZCNCGLJX-ZDUSSCGKSA-N 256.393 4.369 30 40 CIEB N#Cc1c(/N=C/c2ccccc2F)sc2c1CCCC2 37110 VRWSLPIJEMGRNJ-VXLYETTFSA-N 284.359 4.388 30 40 CIEB N#CC(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 573361 IUKSXVBHEDKKJP-UHFFFAOYSA-N 294.166 4.248 30 40 CIEB C/C(=N\Nc1ccccc1)c1ccc(Br)cc1 5638743 KKKPCJMDBZKMEY-LFIBNONCSA-N 289.176 4.285 30 40 CIEB N#Cc1ccc(Sc2c(Cl)cccc2Cl)nc1 12558034 CZRIVLRJALZXDB-UHFFFAOYSA-N 281.167 4.411 30 40 CIEB CCCCCCCCCOc1cccc([C@H](O)CNC)c1 102591669 OHSNBXNZPWXWQO-GOSISDBHSA-N 293.451 4.069 30 40 CIEB Cc1ccc(Oc2cncc(C#N)c2)c2ccccc12 685937128 BKAVBQCWDBMJGI-UHFFFAOYSA-N 260.296 4.207 30 40 CIEB COc1cccc(/C=N/c2cccc3ccccc23)c1O 257153 INNUZELIVNVQEK-XDHOZWIPSA-N 277.323 4.305 30 40 CIEB COc1ccc(/N=C/c2ccc(N3CCCCC3)cc2)cc1 1096919 QMAQCEXFAXFNKJ-HMMYKYKNSA-N 294.398 4.436 30 40 CIEB C=CCOc1ccc(/C=N/c2ccc(C)cc2)cc1 2490055 FQBVSGKAVCPOPX-QGOAFFKASA-N 251.329 4.310 30 40 CIEB COc1cccc(/C=C/C(=O)c2ccc(Cl)s2)c1 5128671 KFHNJVCJLYDHSV-AATRIKPKSA-N 278.760 4.306 30 40 CIEB Cc1ccc(N/C=C/C(=O)c2ccc(C)c(C)c2)cc1 44843829 XSCBJJFSSPBYTP-ZHACJKMWSA-N 265.356 4.420 30 40 CIEB Cc1n[nH]c(C)c1/N=C/c1ccc(Cl)cc1Cl 59415842 LXDQZBJFMWTGPH-GIDUJCDVSA-N 268.147 4.084 30 40 CIEB Cc1ccc([C@@H]2CCC[C@H]2N(C)c2ccc(C#N)cn2)cc1 76063788 CUCNAQJDJVIHTE-ZWKOTPCHSA-N 291.398 4.034 30 40 CIEB CCCCCCCCNC(=O)Nc1ccc(C)cc1 100977960 VKTGAVHJIAJWPG-UHFFFAOYSA-N 262.397 4.477 30 40 CIEB Cc1ccc(-c2csc(N/N=C/c3ccc(C)o3)n2)cc1 4599018 NEERXTBQCZRKNP-RQZCQDPDSA-N 297.383 4.466 30 40 CIEB CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1O 8084857 OHOSWRUXMNWKIA-LDADJPATSA-N 269.344 4.104 30 40 CIEB C=CCN1C2=C(C=Nc3ccccc31)C(=O)CC(C)(C)C2 13637171 GICVOOIVAZRZQO-UHFFFAOYSA-N 280.371 4.038 30 40 CIEB C(\CCC/C=N\Nc1ccccc1)=N\Nc1ccccc1 17418429 LVWUPUGYSHULKR-DJTQBEGKSA-N 280.375 4.353 30 40 CIEB C[C@@H](Nc1cccc(C#N)c1)c1cccc(OC(F)F)c1 20090135 VJIQVLSMDVGQQU-LLVKDONJSA-N 288.297 4.333 30 40 CIEB CCCCCCCCC(=O)Nc1ccccc1C(=O)OC 97941779 UMIMYHNHGFEGQB-UHFFFAOYSA-N 291.391 4.162 30 40 CIEB O/N=C1/CCCCCCCCCC[C@@H]1Sc1nnc[nH]1 100964998 KYUUYLWVRAINRL-CYUIRQCWSA-N 296.440 4.010 30 40 CIEB CCO/C=N/c1ccc(Cl)cc1C(F)(F)F 255187071 BDCZGSQPQPJRIC-GIDUJCDVSA-N 251.635 4.055 30 40 CIEB N#Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 38858 HTMHCBTZDFVJAD-UHFFFAOYSA-N 291.137 4.117 30 40 CIEB CSc1ss/c(=[S+]\C)c1-c1ccccc1 4300596 KRQJZOIRWQSKOG-UHFFFAOYSA-N 271.477 4.443 30 40 CIEB Cc1ccc(N/N=C/c2c(O)sc3ccccc23)cc1 4413790 YYCPCAPHBYFNMW-LICLKQGHSA-N 282.368 4.361 30 40 CIEB N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc(Cl)c(F)c1 8731122 ASKHQQZIDRGNKG-UHFFFAOYSA-N 291.669 4.003 30 40 CIEB C[C@@H]1CCc2ccccc2N1Cc1cc(C#N)ccc1F 11193071 CSIOUAAOQKSNGS-CYBMUJFWSA-N 280.346 4.039 30 40 CIEB CCC1=C/C(=N/O)C(C)=C[C@]1(C)C(Cl)(Cl)Cl 16952844 AIYLMMFSRJXYHZ-QNKACBJSSA-N 282.598 4.489 30 40 CIEB CC(C)(Cl)C#Cc1ccc(OC(C)(C)C)cc1 95631441 KENSZBUTWQEQTF-UHFFFAOYSA-N 250.769 4.233 30 40 CIEB CCCC[C@H](CC)[C@H](O)C#Cc1ccccc1CC 95632113 YNEXDVQVBJCJAE-FUHWJXTLSA-N 258.405 4.178 30 40 CIEB C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21C 256375401 DKRPZVPROVDZCP-QHOCJJNXSA-N 296.454 4.480 30 40 CIEB O=Cc1ccc(C(F)(F)F)c(C(F)(F)C(F)(F)F)c1 642887219 ZMYGMMXFVXFVIE-UHFFFAOYSA-N 292.125 4.172 30 40 CIEB Cc1ccc(C/N=C/c2ccc(OC3CSC3)cc2)cc1 440087 QSESJVPTEMLMRG-YBFXNURJSA-N 297.423 4.108 30 40 CIEB Cc1cccc(-c2nc(C#N)c(N3C[C@H](C)C[C@@H](C)C3)o2)c1 544816 XIEYBVCRXGZMNX-ZIAGYGMSSA-N 295.386 4.004 30 40 CIEB CC(=O)/C=C/[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O 4478060 SNUHZNCSBAQVJV-JIDYTCFASA-N 278.436 4.125 30 40 CIEB O=C1C[C@H](c2ccco2)CC2=C1C=C1C2=Nc2ccccc21 17009756 QUDTWVXOTVEHAS-LLVKDONJSA-N 287.318 4.206 30 40 CIEB CCCCCCCCCCCCNC(=O)OC[C@@H](C)O 104259973 JATKNQSFORQACL-OAHLLOKOSA-N 287.444 4.014 30 40 CIEB N#Cc1ccc(C(=O)CCc2cc(F)cc(Cl)c2)cc1 2517740 JHWQKEJUFBIOAQ-UHFFFAOYSA-N 287.721 4.166 30 40 CIEB COc1cc(C#N)ccc1OCc1cccc2ccccc12 5473668 GRQBMNFGHTZGTD-UHFFFAOYSA-N 289.334 4.299 30 40 CIEB Cc1cccc(/N=C/c2cc(Cl)cc(Cl)c2O)n1 5740600 BGLVIUDYVLIPCU-FRKPEAEDSA-N 281.142 4.153 30 40 CIEB Cc1ccc(-c2c(C)c(-c3ccccc3)nc(N)c2C#N)o1 20479095 QLILTIUGUCGJHI-UHFFFAOYSA-N 289.338 4.079 30 40 CIEB C(=N/C1CCCCC1)\c1ccc(N2CCCC2)cc1 59104625 XMYXPQPNDMAGOP-NBVRZTHBSA-N 256.393 4.038 30 40 CIEB N#CCCCCOc1ccc(C(F)(F)F)cc1Cl 95733759 OZRRUGPIUUKUBU-UHFFFAOYSA-N 277.673 4.431 30 40 CIEB CCCCCCCCCCCC[C@H](O)CC(=O)OC 100501511 CYLYTGDXNHUARG-HNNXBMFYSA-N 272.429 4.221 30 40 CIEB O=C1/C(=C\c2cccnc2)C2(CCCC2)Oc2ccccc21 104263236 BETFFUDXARGATE-FOWTUZBSSA-N 291.350 4.053 30 40 CIEB Cc1cc(/C=N\c2ccc(Cl)cc2O)cc(C)c1O 110425640 WLTXCNKGHFISEE-IUXPMGMMSA-N 275.735 4.119 30 40 CIEB C(=N/N=C1\Nc2cccc3cccc1c23)\c1ccccc1 3180444 BHVRGHUCIOBZDB-XDHOZWIPSA-N 271.323 4.046 30 40 CIEB Cc1ccc2nc(N/N=C/c3cccc(C)n3)cc(C)c2c1 3954581 KDNFQYYVOLGCGG-YBFXNURJSA-N 290.370 4.001 30 40 CIEB in-vitro Cc1ccc(C(=O)/C=C/c2ccccc2F)cc1C 6340755 YRGSGCPMJCMUTC-MDZDMXLPSA-N 254.304 4.339 30 40 CIEB CC1(C)[C@H]2CC[C@]1(C)/C(=N/OC(=O)c1ccccc1)C2 6763646 WFHKORUOUZRZQM-KCZSXFGISA-N 271.360 4.046 30 40 CIEB CCOc1ccccc1/C=C1/Sc2ccccc2C1=O 12412406 ZEQBDTYXHOFFAL-LFIBNONCSA-N 282.364 4.415 30 40 CIEB C=CCOC(=O)c1ccc2nc(-c3ccccc3)sc2c1 73635069 KCJJTTNPIVRAHU-UHFFFAOYSA-N 295.363 4.306 30 40 CIEB CC(C)c1ccccc1/N=C/c1ccc2c(c1)OCO2 3241348 OPOUNXBJOREUMA-VCHYOVAHSA-N 267.328 4.289 30 40 CIEB C/C(=N\Nc1ccc2ccccc2n1)c1cc(C)oc1C 58645811 LMFUXFKTBQFVJU-XDHOZWIPSA-N 279.343 4.281 30 40 CIEB COc1ccc([C@H](c2ccccc2)C(CC#N)CC#N)cc1 1632895 RLGQCUBXTTYEJN-IBGZPJMESA-N 290.366 4.271 30 40 CIEB C[N+](C)=C/C=C(\Cl)c1ccc(-c2ccccc2)cc1 2146443 LATDIZWEDMWCIZ-ATVHPVEESA-N 270.783 4.276 30 40 CIEB Cc1ccc2c(c1)C(=O)/C(=C1/CCc3ccc(C)cc31)C2 18206128 OWRSFEGPAJAENL-MNDPQUGUSA-N 274.363 4.442 30 40 CIEB CCCC[C@H](CC)[C@@H](O)C#Cc1cc(C)cc(F)c1 95632256 UFGZJRNFLBDSNB-RDJZCZTQSA-N 262.368 4.063 30 40 CIEB C/C(=N/N(C)C(=S)c1ccccc1)c1ccc(C)cc1 5745118 NNUXYHKQQDBKIA-JXAWBTAJSA-N 282.412 4.027 30 40 CIEB Cc1cccc(/N=C/c2ccc(N(C)C)cc2)c1C 6967866 QVKPEKACCDZKRQ-LDADJPATSA-N 252.361 4.120 30 40 CIEB O=C(/C=C/c1cccc(O)c1)c1ccc(C(F)(F)F)cc1 40140026 BMQKPPZPUGSIFG-RUDMXATFSA-N 292.256 4.307 30 40 CIEB Cc1csc([C@H](C#N)C(=O)c2cc3ccccc3s2)n1 41518933 HONXSKSUMKLWPA-LLVKDONJSA-N 298.392 4.156 30 40 CIEB ON=Cc1ccc(Sc2ccc(Cl)cc2)cc1 409117161 NLDZUYCAOOLSJT-UHFFFAOYSA-N 263.749 4.299 30 40 CIEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(Cl)cc1 664443509 DQHQKGZHFAJVPP-OKILXGFUSA-N 276.767 4.055 30 40 CIEB CCN(CC)c1ccc(/C=N/c2cc(C)ccc2O)c(O)c1 308054 WESTYXAXFZMOJD-XDHOZWIPSA-N 298.386 4.003 30 40 CIEB Cc1ccc(/N=C2/C=C(O)C(=O)c3ccccc32)cc1Cl 3117550 CURCSJLUQMLJGL-CYVLTUHYSA-N 297.741 4.407 30 40 CIEB C[C@H](C[C@@H](C#N)N(C)c1ccccc1)CC(C)(C)C 4365746 UECPHRXRENSFNH-ZBFHGGJFSA-N 258.409 4.477 30 40 CIEB O=C1/C(=C/c2cccc(Br)c2)Cc2ccccc21 16407253 BVIWTKYMZMLBTA-MDWZMJQESA-N 299.167 4.272 30 40 CIEB CCCC[C@@H](CC)[C@H](O)C#Cc1ccc(C)c(F)c1 95633693 UHVUIXUBUQKCQT-NVXWUHKLSA-N 262.368 4.063 30 40 CIEB Oc1ccccc1/N=C\c1c(O)ccc2ccccc12 95920280 FMIVOPRNBGRDKP-WQRHYEAKSA-N 263.296 4.002 30 40 CIEB Cc1cccc(O)c1/N=C/c1c(O)ccc2ccccc12 102417404 SXXWFUNLBVVNRY-YBFXNURJSA-N 277.323 4.310 30 40 CIEB FC(F)(F)c1ccc(N/N=C2/C=Nc3ccccc32)cc1 107896766 DJQLFSGESKLGJE-STZFKDTASA-N 289.260 4.238 30 40 CIEB N#Cc1ccc(-c2ccc(/C=N/Nc3ccccc3)o2)cc1 409017626 NDUSMXGKGOPJNK-DEDYPNTBSA-N 287.322 4.264 30 40 CIEB CCCCCCC(=O)/C=C/c1cc(OC)cc(OC)c1 1572413 VRPQSBZDAUTSKR-MDZDMXLPSA-N 276.376 4.257 30 40 CIEB Fc1ccc(N/N=C/c2ccc(OC(F)F)cc2)c(F)c1 4922694 CAPNXLXEENWYDU-UFWORHAWSA-N 298.239 4.012 30 40 CIEB Cc1ccc2nc(-c3ccc(/N=C/N(C)C)cc3)sc2c1 4947654 BAJUZMVQVYHJLO-WOJGMQOQSA-N 295.411 4.493 30 40 CIEB C(=N/Nc1nc2ccccc2[nH]1)\c1cccc2ccccc12 5532688 WOGIECVBFOBKHK-XDHOZWIPSA-N 286.338 4.162 30 40 CIEB CC[C@@H](C)C[C@@](C)(O)C#Cc1ccc(OC(C)(C)C)cc1 95631421 OVKALZKUKCCLCX-BEFAXECRSA-N 288.431 4.403 30 40 CIEB CCCCCCCCCCCCOCCN1CCOCC1 100932601 AWJVPNXWMVASKV-UHFFFAOYSA-N 299.499 4.256 30 40 CIEB CCOc1ccc2ccccc2c1/C=N/c1ccccn1 101102346 DMIZIDHJPXOTRT-DEDYPNTBSA-N 276.339 4.384 30 40 CIEB C=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103531764 CVDYYPTVATXTLA-UHFFFAOYSA-N 280.517 4.207 30 40 CIEB C#Cc1cccc(OCc2ccccc2Br)c1 199727811 FVNKTZSBYSWXEM-UHFFFAOYSA-N 287.156 4.009 30 40 CIEB Cc1cc(N/N=C/c2ccccc2)nc2c(C)cccc12 5006904 JRSFYKQOMPOGOW-XDHOZWIPSA-N 275.355 4.298 30 40 CIEB N#C[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 17417770 AQROMKCCQRTJFM-FQEVSTJZSA-N 299.373 4.230 30 40 CIEB C=CCO[C@@H](CC)c1ccc(Br)cc1 72210025 DGUVVVMTJVSKFM-LBPRGKRZSA-N 255.155 4.103 30 40 CIEB C#Cc1cccc(OCc2ccc(C(F)(F)F)cc2)c1 138203043 ZFUTVVMPDPSZRE-UHFFFAOYSA-N 276.257 4.266 30 40 CIEB O/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 409045594 ZRYCWHLSVGTTFB-CAOOACKPSA-N 296.153 4.381 30 40 CIEB CCCCCCC(=O)/C=C/c1cc(OC)ccc1OC 1565256 UQOYEFDBQOCEAB-MDZDMXLPSA-N 276.376 4.257 30 40 CIEB C=CCSc1nc(C)cc(-c2ccccc2)c1C#N 1806455 NQMUMCNKWJYJDP-UHFFFAOYSA-N 266.369 4.207 30 40 CIEB CCCCCc1ccc(-c2ccc(C#N)cc2)nc1 3157300 PANLHJSWXJODQV-UHFFFAOYSA-N 250.345 4.353 30 40 CIEB O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1cccc(O)c1 5156250 QLZATQONZRJFJA-RMKNXTFCSA-N 292.256 4.307 30 40 CIEB C/C(=N\c1nc2ccccc2n1C)c1cc(Cl)ccc1O 13130803 XRBRERLHIHCRKK-VCHYOVAHSA-N 299.761 4.073 30 40 CIEB CCCCN(CCC#N)c1ccc(Br)cc1F 95915691 WPSUZRZFFVXOAZ-UHFFFAOYSA-N 299.187 4.108 30 40 CIEB CCCCCCCCCCCCOC(=O)CC(C)=O 100075255 KCHWKBCUPLJWJA-UHFFFAOYSA-N 270.413 4.430 30 40 CIEB COc1ccc(Br)cc1/C=N\c1ccccc1 104070323 CQORXPCCZZAIND-YBEGLDIGSA-N 290.160 4.208 30 40 CIEB C=CCOc1cccc(NC(=O)c2cc(C)c(C)cc2C)c1 225647491 CYUJETDSMQJACY-UHFFFAOYSA-N 295.382 4.429 30 40 CIEB C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)CCC[C@]12O 253617626 ZWQVJUXPAQQVEQ-ZRSRNVLSSA-N 288.431 4.023 30 40 CIEB COc1ccccc1N=Cc1c(O)ccc2ccccc12 254844335 JWZBXRAHIARYPU-UHFFFAOYSA-N 277.323 4.305 30 40 CIEB O=[N+]([O-])c1ccc(/C=N/c2cccc3ccccc23)cc1 61547 QDPIWAUWWLKADK-LDADJPATSA-N 276.295 4.499 30 40 CIEB CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OC 6960425 RMVTUYOPMBWHKT-XDHOZWIPSA-N 283.371 4.461 30 40 CIEB C=CCOc1ccc(CNc2ccc(F)cc2)cc1OC 8113425 YKAAITKWUZPHQI-UHFFFAOYSA-N 287.334 4.011 30 40 CIEB C=CCN(Cc1cccs1)C(=O)Nc1ccc(F)cc1 8749083 ADFHMTLCMACGIA-UHFFFAOYSA-N 290.363 4.107 30 40 CIEB CCC(/C=N/Nc1cc(C)c2ccccc2n1)CC 24036255 BJSWCBZCXQQIBI-GZTJUZNOSA-N 255.365 4.377 30 40 CIEB N#C[C@@H](c1ccc(Cl)cc1)c1ccc(N)cc1Cl 33607040 GJYVIYJLSWIBLM-ZDUSSCGKSA-N 277.154 4.231 30 40 CIEB N#Cc1cc(F)ccc1-c1cc(Br)ccc1F 85210288 WLPBLIAXAWKMEB-UHFFFAOYSA-N 294.098 4.266 30 40 CIEB CCCCCCC/C(=N\O)c1cc(OCC)ccc1O 100925998 XYHXOBQARAABIX-BMRADRMJSA-N 279.380 4.330 30 40 CIEB COc1ccc2ccccc2c1/C=N/c1ccc(O)cc1 297725 IYXFSAQHSMGCGO-XDHOZWIPSA-N 277.323 4.305 30 40 CIEB Cc1cc(C)nc(N/N=C/c2ccc([C@@H]3C=CCC3)s2)n1 5447278 JPLMFZARQPRXMH-VGSSETLESA-N 298.415 4.035 30 40 CIEB C=CCOc1ccc(CNC2CCCCCC2)cc1OC 8471095 WPIKQIRKEJNPKD-UHFFFAOYSA-N 289.419 4.072 30 40 CIEB CC[C@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 35055401 MLCXPCQIBIIOJM-KRWDZBQOSA-N 284.790 4.453 30 40 CIEB C[C@@](C#N)(Cc1ccccc1)c1ccccc1Cl 36108795 ZKBDNCZSVPTRRB-INIZCTEOSA-N 255.748 4.364 30 40 CIEB N#Cc1c(-c2ccccc2)noc1/C=C/Nc1ccccc1 100329395 KZSKFSVGVAYYAE-VAWYXSNFSA-N 287.322 4.296 30 40 CIEB C(=N/C1CCCCC1)\c1ccc(N2CCCCC2)cc1 408846208 IULNSYSAAXNLEH-XDJHFCHBSA-N 270.420 4.429 30 40 CIEB N#C[C@H](c1ccc(Cl)cc1)N1CCC(c2ccccc2)=N1 4783664 NYKLPCLKDJXQII-QGZVFWFLSA-N 295.773 4.015 30 40 CIEB Cc1ccccc1/N=C/C(=C\Nc1ccccc1C)[N+](=O)[O-] 5926894 UBSJCDGSZOCJST-RRRJGDELSA-N 295.342 4.236 30 40 CIEB Cc1ccc(Oc2cc(C(F)(F)F)cnc2C#N)cc1 95829758 QJLHNOAWCXRBMA-UHFFFAOYSA-N 278.233 4.073 30 40 CIEB CCCC/N=C1/C=C(NCCCC)c2ccccc21 100470276 CABIGGVIZZWFSL-ZPHPHTNESA-N 256.393 4.020 30 40 CIEB CCCCCCCCCCCCC/C=N\NC(=N)N 104391341 CNZZIJXHORRWPY-JXAWBTAJSA-N 268.449 4.156 30 40 CIEB CCCCCn1c(C#N)cc(N)c1Sc1ccccc1 225887725 LDUXFSBRVQMVQW-UHFFFAOYSA-N 285.416 4.283 30 40 CIEB N#Cc1c(-c2cccs2)cc(C2CC2)[nH]c1=S 67469 INHXIPMBHIEGHZ-UHFFFAOYSA-N 258.371 4.222 30 40 CIEB N#CCCCCCCC(=O)c1ccc(Br)cc1 2392784 MOBLJGZBZZWAJD-UHFFFAOYSA-N 294.192 4.496 30 40 CIEB CCc1c(C(=O)/C=C/c2cccnc2)oc2ccccc12 7586753 CJCMKXHNXUCYIE-MDZDMXLPSA-N 277.323 4.286 30 40 CIEB Cc1ccc(C)c(C(=O)/C=C/Nc2ccc(F)cc2)c1 44844498 GAQVVNHUNGZLEJ-MDZDMXLPSA-N 269.319 4.251 30 40 CIEB S=C(NN=C1CCCCCCC1)Nc1ccccc1 58654672 UIRHBEDMDWMCTE-UHFFFAOYSA-N 275.421 4.073 30 40 CIEB CC[C@@H](C)C[C@](C)(O)C#Cc1ccc(C(C)C)cc1 95633077 JTXMVLCAWXQIBV-CRAIPNDOSA-N 258.405 4.349 30 40 CIEB CC(=Nc1ccccc1C(F)(F)F)c1ccccn1 254343409 PFQDYOQNGKUCPA-UHFFFAOYSA-N 264.250 4.241 30 40 CIEB N#CCc1nc(-c2ccc(Cl)c(Cl)c2)cs1 113887 QUKXPETXDIENML-UHFFFAOYSA-N 269.156 4.183 30 40 CIEB CCCCCCCCN(C)/N=N/c1ccc(C(N)=O)cc1 1562675 MTUACXRMFCGUJI-VHEBQXMUSA-N 290.411 4.077 30 40 CIEB N#C[C@@H](c1cnc2ccccc2n1)c1cccc2ccccc12 1703181 MUKPFDOOYILUPQ-QGZVFWFLSA-N 295.345 4.438 30 40 CIEB Nc1ccc(/N=C/c2ccc3ccccc3c2)cc1[N+](=O)[O-] 4621306 VNCSCFWYOCWMAK-YBFXNURJSA-N 291.310 4.081 30 40 CIEB C(=N/Nc1ccccc1)\c1ccc2nc3ccccc3nc2c1 6996164 RDRWTAJDJVVJDK-DEDYPNTBSA-N 298.349 4.229 30 40 CIEB O=C1/C(=C/c2ccc(Br)cc2)Cc2ccccc21 15224987 OXSRYCQUCRVPGD-UKTHLTGXSA-N 299.167 4.272 30 40 CIEB CN(C)c1ccc(/C=N/c2cccc(Cl)c2)cc1 18182949 JUODSVJHIZUYRX-GZTJUZNOSA-N 258.752 4.157 30 40 CIEB C=CCc1cc(-c2ccc(O)c(CC=C)c2)ccc1O 1688147 CKKHZUOZFHWLIY-UHFFFAOYSA-N 266.340 4.222 30 40 CIEB O=C(/C=C/c1cccc2ccccc12)c1ccc(O)cc1 6338445 FDLCWJSUCSSVIY-JLHYYAGUSA-N 274.319 4.442 30 40 CIEB C=CCNCc1cc(Cl)ccc1OCc1ccccc1 6855858 BUQNYIGNVVBHNV-UHFFFAOYSA-N 287.790 4.195 30 40 CIEB FC(F)(F)c1cccc(/N=C/c2ccc3c(c2)OCO3)c1 16952989 QMRSQQBLRLTVPR-UFWORHAWSA-N 293.244 4.185 30 40 CIEB CC(C)Cc1cc(-c2cccc(Cl)c2)c(C#N)c(N)n1 20389421 HFXZKCBMRVJCJR-UHFFFAOYSA-N 285.778 4.054 30 40 CIEB C=C(C)COc1ccc2oc(C)c(C(=O)OC(C)C)c2c1 526635 MAHXUNQQSLZXLY-UHFFFAOYSA-N 288.343 4.261 30 40 CIEB biogenic Cc1ccc(C)n1-c1sc2c(c1C#N)CC[C@@H](C)C2 1465740 SYRFVXGIWAOXSC-SNVBAGLBSA-N 270.401 4.152 30 40 CIEB O=C1C(O)=Cc2c(-c3ccc(O)cc3)ccc3cccc1c23 4293351 UQMKPTIDKHEGFW-UHFFFAOYSA-N 288.302 4.308 30 40 CIEB endogenous,in-man Cc1ccsc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 25438116 CGKBPPPTHITCTM-UHFFFAOYSA-N 284.384 4.110 30 40 CIEB CCCCCC(=O)Nc1ccc(C(C)(C)C#N)cc1 25440260 ZMEOMYPTHRQUTK-UHFFFAOYSA-N 258.365 4.007 30 40 CIEB Cc1cccc(C(=O)/C=C2\N(C)c3ccccc3C2(C)C)c1 32688895 QVAIJSATRAHPJR-UYRXBGFRSA-N 291.394 4.489 30 40 CIEB N#Cc1ccc2ccn(Cc3ccc(Cl)cc3)c2c1 146679167 XHNOKSTZEZLEJH-UHFFFAOYSA-N 266.731 4.215 30 40 CIEB Cc1ccc([C@@H]2O[C@@]23CCCc2ccccc2C3=O)cc1 163832 YGWPGDCQINZONS-RBUKOAKNSA-N 278.351 4.024 30 40 CIEB O=C(O)c1ccc(Cl)c(/N=C\C=C/c2ccccc2)c1 5051767 FSHWJQZOJIGHCI-GAFWZHBCSA-N 285.730 4.454 30 40 CIEB Cc1ccc(/C=C2\C(=O)[C@H]3CC[C@]2(C)C3(C)C)cc1 5682329 IFRCODNIQRHSLF-NXHOZURCSA-N 254.373 4.404 30 40 CIEB Cc1cc(C)n(/C(=N\c2ccccc2)c2ccccc2)n1 5697908 SQWDNYWELKNHIG-HNENSFHCSA-N 275.355 4.127 30 40 CIEB COc1ccc(/C=N/c2cccc(Cl)c2C)c(OC)c1 8278031 KSMRROILIQOXHN-VCHYOVAHSA-N 289.762 4.416 30 40 CIEB CC(C)c1ccc(Nc2ccc(C#N)cc2N)cc1 35674530 YEBDMXKEIVRMFZ-UHFFFAOYSA-N 251.333 4.007 30 40 CIEB C=CCOc1ccc(NC(=O)C2(C)CCCCC2)cc1 225945751 ABHCMPHMYFFERL-UHFFFAOYSA-N 273.376 4.160 30 40 CIEB Cc1c(C(C)C)c(Cl)n2c(nc3ccccc32)c1C#N 293317 DYTOUDKJKOIBFP-UHFFFAOYSA-N 283.762 4.444 30 40 CIEB CCCCCCCCCCC[C@@H]1N[C@@H](C(=O)O)CS1 3129241 FNBSOIBCKUUVJJ-ZIAGYGMSSA-N 287.469 4.023 30 40 CIEB biogenic Cc1ccc(/N=C\c2cc(Cl)ccc2O)c(F)c1 5288143 RWVQMQYYYLEQCF-IUXPMGMMSA-N 263.699 4.244 30 40 CIEB CCOc1ccc(/N=C/c2ccc(Cl)cc2)c(O)c1 18046503 YMZRUZKLJGPUMS-LICLKQGHSA-N 275.735 4.195 30 40 CIEB CCCCCC[C@](C)(O)C#Cc1ccc(CC)cc1 95632182 DFSUAGQIFAZMBM-SFHVURJKSA-N 258.405 4.322 30 40 CIEB COc1cccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 409064196 CKSXAIPNKFDNLR-CXUHLZMHSA-N 290.706 4.007 30 40 CIEB C/C(=C\C(=O)c1ccccc1)Nc1ccc(F)c(C)c1 33797590 XIFCYKANPFAISP-ACCUITESSA-N 269.319 4.333 30 40 CIEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/OC(=O)c1ccccc1)C2 100845578 WFHKORUOUZRZQM-GMLVGJMNSA-N 271.360 4.046 30 40 CIEB C#CCOc1ccc(/C=N/c2cccc(C)c2C)cc1 409201134 LXRXGHVZNBFNMI-CPNJWEJPSA-N 263.340 4.066 30 40 CIEB Cc1ccccc1/C=C1/Sc2ccccc2C1=O 161066 DIXZHKWHXDWLHK-XNTDXEJSSA-N 252.338 4.325 30 40 CIEB CCc1ccc(C/N=C/c2cc(Cl)ccc2O)cc1 44835561 BSRRPPSBVMDPEE-WOJGMQOQSA-N 273.763 4.227 30 40 CIEB N#C[C@]1(c2nc3ccccc3[nH]2)C[C@H]1c1ccccc1Cl 51330266 UBBDDVLLRXIWEE-YVEFUNNKSA-N 293.757 4.165 30 40 CIEB Oc1ccccc1/C=N/c1ccc(F)cc1Br 100037336 OIOZQBSUUCSSMM-LZYBPNLTSA-N 294.123 4.044 30 40 CIEB Oc1c(/C=N/Cc2ccc(F)cc2)ccc2ccccc12 100248558 BDUZPBIPIUYAFX-UDWIEESQSA-N 279.314 4.304 30 40 CIEB CC(C)c1ccc(/C=C2/COc3ccccc3C2=O)cc1 6377336 WJFKQPPIGYRUKU-WJDWOHSUSA-N 278.351 4.469 30 40 CIEB COc1ccc([C@@H](C)/N=C/c2cc(Cl)ccc2O)cc1 44835630 FGETWIHJNMNQEA-VDCVXVNISA-N 289.762 4.234 30 40 CIEB C#Cc1ccc(-c2ccnc(-c3ccc(C#C)cc3)c2)cc1 1857793677 FQFVMZWLIKNDCU-UHFFFAOYSA-N 279.342 4.378 30 40 CIEB CCCCCCCC(=O)O[C@@H](C)CC[C@H]1CCCO1 1730646 WWOBNXKJYPLNNL-LSDHHAIUSA-N 270.413 4.238 30 40 CIEB COc1cccc(C(=O)/C=C(\C)Nc2ccc(F)cc2)c1 106265830 VPXJQMIUPFBZSA-ZRDIBKRKSA-N 285.318 4.033 30 40 CIEB CN1C=C[C@H]([C@@H](C#N)c2ccccc2)c2ccccc21 1615096 CYTQRUOSBUDSIB-RDJZCZTQSA-N 260.340 4.041 30 40 CIEB CCCCCCCCc1ccc(NC(N)=S)cc1 1758021 FPUXUZDDKQRIBF-UHFFFAOYSA-N 264.438 4.245 30 40 CIEB Cc1ccc(/C=C/C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 39417346 WDQCIBAMUPCEEB-QHKWOANTSA-N 293.322 4.199 30 40 CIEB CCCC[C@@H](CC)[C@@H](O)C#Cc1cc(F)cc(Cl)c1 95633314 FGNONVSWGDCGGT-CJNGLKHVSA-N 282.786 4.408 30 40 CIEB CSc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 5275141 SZXXHUPKVVISFF-JXMROGBWSA-N 299.351 4.213 30 40 CIEB Oc1ccccc1/C=N/c1ccc2c3c(cccc13)CC2 5583508 NZUKQHHECRAIKL-UDWIEESQSA-N 273.335 4.395 30 40 CIEB CN(C)CC(C)(C)/C(=N/Nc1ccccc1)c1ccccc1 5714957 DLVQQNUTGGBJAM-DYTRJAOYSA-N 295.430 4.091 30 40 CIEB Oc1c(/C=N/Cc2ccccc2)ccc2ccccc12 32101672 LKKOLEYISGZYLZ-CPNJWEJPSA-N 261.324 4.165 30 40 CIEB C[C@@H](Nc1ccc(C(F)(F)F)cn1)c1ccc(C#N)cc1 37502099 KFESUZOXAVGHFG-SNVBAGLBSA-N 291.276 4.145 30 40 CIEB CCc1ccc(C(=O)/C=C/Nc2ccccc2OC)cc1 102545349 NTUIOQBKIDNWIT-OUKQBFOZSA-N 281.355 4.066 30 40 CIEB Cc1cccc(N/C=C2/CCC[C@H](C)C2=O)c1Cl 409180219 XEAZDAISUIUHQE-AWPPVZKDSA-N 263.768 4.333 30 40 CIEB CCCCCCCCCC1=NC(C)(C)CN1C[C@@H](C)O 1854974 IGJHPQLFRMJXQK-OAHLLOKOSA-N 282.472 4.001 30 40 CIEB CC/C=C1\SC(/C(=C/CC)C(=O)c2ccccc2)=NC1=O 5385054 XCBUUCHZNWZJCY-MGDWIPCISA-N 299.395 4.172 30 40 CIEB Clc1nc2ccccc2cc1/C=N/Nc1ccccc1 6344405 MHSWDLRWWRSRHJ-WOJGMQOQSA-N 281.746 4.334 30 40 CIEB CCCOc1ccc(/C=N/c2ccccc2)cc1OC 6942150 YIVZPSAHRNXPSS-QGOAFFKASA-N 269.344 4.235 30 40 CIEB C[C@@]12CC3CC(NCC#Cc4ccccc4)(C1)C[C@](C)(C3)C2 8534497 BVXZRYBWSPBPNI-JWEZTNTCSA-N 293.454 4.377 30 40 CIEB Cc1ccc(C(=O)/C=C/Nc2cc(F)ccc2F)cc1C 44844047 OUOVNOMLNCZIQX-BQYQJAHWSA-N 287.309 4.390 30 40 CIEB C[C@@](O)(C#Cc1ccc(Cl)c(Cl)c1)c1ccccc1 95633481 HKXMHSBMYJSAML-MRXNPFEDSA-N 291.177 4.253 30 40 CIEB Cc1ccc(C)c(Oc2c(N)cc(C#N)n2CC(C)C)c1 225884963 CRVIRHFBWZTFEI-UHFFFAOYSA-N 283.375 4.007 30 40 CIEB CCCCC[C@@H](C[N+](C)(C)C)C(=O)/C=C/c1ccccc1 1898800 DELWKBXATAWMQG-JJJPLKNQSA-N 288.455 4.172 30 40 CIEB biogenic CC(C)c1ccc(NC(=S)Nc2cccc(C#N)c2)cc1 3286846 BXVPVHPRUQVZAW-UHFFFAOYSA-N 295.411 4.491 30 40 CIEB Cc1ccc(/C=C/C(=O)c2cc(C)c(C)cc2C)o1 4728564 QFXZYTLJBUJVGG-BQYQJAHWSA-N 254.329 4.409 30 40 CIEB CCc1cccc(/N=C/c2cc(Cl)ccc2O)c1 5287833 WMTGXVSARZOLLO-LICLKQGHSA-N 259.736 4.359 30 40 CIEB CC(C)c1ccc(/C=N/Nc2oc(C(C)C)nc2C#N)cc1 6050024 ODCHKKQIBLYXLI-VXLYETTFSA-N 296.374 4.239 30 40 CIEB CCCCCCC[C@H](O)CCc1ccc(O)c(OC)c1 49784945 DFOMASIWHAPFEW-HNNXBMFYSA-N 280.408 4.055 30 40 CIEB biogenic,in-vitro Cc1ccc(C(=O)C=C2SCCCCS2)cc1 68590841 FMXXKTPUUHTWBK-UHFFFAOYSA-N 264.415 4.279 30 40 CIEB C=CCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 100473336 DTCUPMXWGWBRAB-UHFFFAOYSA-N 260.099 4.236 30 40 CIEB CCOC(=O)c1ccc(/N=C\c2c[nH]c3ccccc23)cc1 101460096 WWELYDMDMJQJHG-ODLFYWEKSA-N 292.338 4.095 30 40 CIEB Cc1cc(N2CCCC2)ccc1/C=N\c1cccc(O)c1 408959841 GRZNODRWRCSHLW-UYRXBGFRSA-N 280.371 4.051 30 40 CIEB COc1ccccc1/C=N/c1ccc(C)c(Cl)c1 409216703 KGYSDYZURZZTPX-LICLKQGHSA-N 259.736 4.408 30 40 CIEB Cc1ccc(O)c(C(=O)/C=C/c2cc3ccccc3o2)c1 4024274 XBBPYSFORQWTLD-VQHVLOKHSA-N 278.307 4.343 30 40 CIEB biogenic C/C(=N\NC(N)=S)C1CCCCCCCCCCC1 4785814 JVNDKNIMYOOLND-GHRIWEEISA-N 283.485 4.116 30 40 CIEB O[C@H]1c2ccccc2-c2ccc(/N=C\c3ccccc3)cc21 104256521 QRPSVFLMXQVQDM-GAASDFDMSA-N 285.346 4.499 30 40 CIEB N#Cc1ccsc1NC(=O)c1ccc2ccccc2c1 2637468 SJIHVBQVTPUSKE-UHFFFAOYSA-N 278.336 4.025 30 40 CIEB N#C[C@@H]1C=Cc2ccccc2[C@@H]1C(=O)/C=C/c1ccccc1 4350040 DTXPWFHCBJNIKB-XVPDJRTQSA-N 285.346 4.219 30 40 CIEB CC[C@@H]1/C(=N/O)C[C@H](c2ccccc2)N[C@H]1c1ccccc1 13539946 KELKCHCDSYUMCO-RCXXVERISA-N 294.398 4.319 30 40 CIEB COc1ccccc1-c1nc2ccccc2c(C)c1C#N 15453965 ZUPHKRXGVFVUOW-UHFFFAOYSA-N 274.323 4.091 30 40 CIEB C/C(=N/Nc1nc2ccccc2[nH]1)c1ccc(C)cc1C 34877472 RSZPNMKBGLIDGM-MOSHPQCFSA-N 278.359 4.016 30 40 CIEB CSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N 536450 ZASQMUABILTQAX-UHFFFAOYSA-N 294.301 4.361 30 40 CIEB CN1C=C[C@@H]([C@@H](C#N)c2ccccc2)c2ccccc21 1615095 CYTQRUOSBUDSIB-WBVHZDCISA-N 260.340 4.041 30 40 CIEB CCCCCCCCNC(=O)[C@@H]1C[C@H]1c1ccccc1 2165997 JXEGSAMPGXCVQA-DLBZAZTESA-N 273.420 4.267 30 40 CIEB N#Cc1ccc(C(=O)Oc2cc(Cl)ccc2Cl)cc1 3360086 ATYUILDWBIWWCK-UHFFFAOYSA-N 292.121 4.084 30 40 CIEB Cc1ccc2nc(N/N=C/c3ccccc3F)cc(C)c2c1 5006887 OUSWZIWLUGJWTL-RGVLZGJSSA-N 293.345 4.437 30 40 CIEB C=CC[C@@](CNC(C)=O)(C1=CCCCC1)c1ccccc1 5855795 BOEVUIXWCGSIBN-IBGZPJMESA-N 283.415 4.137 30 40 CIEB O=C(/C=C/c1cccc(F)c1)c1ccccc1Cl 6889448 PRPAROBGOLRNKU-CMDGGOBGSA-N 260.695 4.375 30 40 CIEB CCc1ccc(N/C(S)=N\Cc2ccccc2)cc1 13636491 HBGCOGSUOOXWHS-UHFFFAOYSA-N 270.401 4.147 30 40 CIEB O=C1Nc2ccccc2/C1=N/c1ccccc1-c1ccccc1 17429748 RMLFVCRQIUSFTA-UHFFFAOYSA-N 298.345 4.427 30 40 CIEB Cc1ccc(C)c(-c2cc(-c3ccccc3)c(C#N)c(N)n2)c1 19832459 MFWLSGXYSMBZEL-UHFFFAOYSA-N 299.377 4.486 30 40 CIEB CC1(C)CC(O)=C(/N=N\c2ccc(F)cc2)/C(=N\O)C1 96247837 GOVBINZOMCCBIE-BWRONATDSA-N 277.299 4.329 30 40 CIEB CC1=C[C@@H]2[C@@H](C/C1=N\OCc1ccccc1)C2(C)C 100741129 XZSWOBJNYGYMTI-SWRCXYFJSA-N 255.361 4.181 30 40 CIEB CS/C(=N/N=C(\C)C(C)(C)C)N/N=C(\C)C(C)(C)C 100930601 GZWLUCBFZNJQLQ-RWPWKDLBSA-N 284.473 4.139 30 40 CIEB Cc1cc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1F 409104831 FWPINNVJKDUEGZ-CAOOACKPSA-N 292.697 4.446 30 40 CIEB CC(C)(C)C1CCC(=NOC(=O)c2cccs2)CC1 42109 PHVPKZDBTGDVOM-UHFFFAOYSA-N 279.405 4.497 30 40 CIEB Cc1cc(Oc2ccc([N+](=O)[O-])cc2C#N)ccc1Cl 2644416 GNEWRUZLRNBTSY-UHFFFAOYSA-N 288.690 4.221 30 40 CIEB C=C(C)CCC[C@H](C)C[C@@H](O)C#Cc1ccccc1 3845675 XOUGXHQLWBUWRZ-WMZOPIPTSA-N 256.389 4.172 30 40 CIEB biogenic COc1ccc(-c2nc(-c3ccc(C#N)cc3)cs2)cc1 21224949 XHOMHMRAOCWJIY-UHFFFAOYSA-N 292.363 4.357 30 40 CIEB CCOc1ccc(C(=O)/C=C/Nc2ccc(F)cc2C)cc1 51318883 RCRLPQUJDVEUMT-ZHACJKMWSA-N 299.345 4.341 30 40 CIEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2cccc(O)c2)C1 408563893 RSPYUMOLJJDMAX-XTZCOPOCSA-N 287.403 4.493 30 40 CIEB C(=C\c1ccccc1)\C=N/N=C/C=C\c1ccccc1 16890949 MIBXLDBZXACZIE-QQRQYUNDSA-N 260.340 4.470 30 40 CIEB N#Cc1cc(-c2ccccc2)oc1NC(=O)c1ccccc1 144007 IQPQRIVMVCBGEO-UHFFFAOYSA-N 288.306 4.071 30 40 CIEB Clc1ccc(/C=N/N=C/c2ccco2)cc1Cl 1709339 JYKFHHBYHBJJEX-BGPOSVGRSA-N 267.115 4.039 30 40 CIEB CCC[C@@H](C)NC(=O)c1ccc(C#Cc2ccccc2)cc1 25380906 ACXTVTIPEZXEHG-MRXNPFEDSA-N 291.394 4.005 30 40 CIEB N#C[C@]1(c2nc3ccccc3[nH]2)C[C@@H]1c1ccccc1Cl 51330268 UBBDDVLLRXIWEE-SJKOYZFVSA-N 293.757 4.165 30 40 CIEB CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525226 ADXRMDFVKSPFQM-UHFFFAOYSA-N 298.095 4.500 30 40 CIEB CN1/C(=N/c2ccccc2)S/C1=N\c1ccccc1 104281901 NELCYIJPKJMGMV-RYOQUFEFSA-N 267.357 4.040 30 40 CIEB CN(C)c1ccc(/N=C\c2ccc(Cl)s2)cc1 408966813 OHEWMAWZTDDAHK-DHDCSXOGSA-N 264.781 4.218 30 40 CIEB CCCCCCCCCNC(=O)c1cccc([N+](=O)[O-])c1 3024765 JIQGJGKIZFAMAB-UHFFFAOYSA-N 292.379 4.075 30 40 CIEB Fc1ccc(/C=N/Nc2ccccc2Cl)cc1F 4923533 YTWRMQXARHZKDB-CAOOACKPSA-N 266.678 4.064 30 40 CIEB N#C[C@H](C(=O)C1CCCCC1)c1nc2ccccc2s1 5578528 HNVDIAUZUTUALC-GFCCVEGCSA-N 284.384 4.053 30 40 CIEB CC(C)(C)c1ccc(C(=O)COc2ccc(C#N)cc2)cc1 5868115 JJLUHRCGAYTIPA-UHFFFAOYSA-N 293.366 4.117 30 40 CIEB Cc1ccc(/C=C2\Sc3ccccc3C2=O)s1 13112105 GJGVJHSDPXITJE-JYRVWZFOSA-N 258.367 4.386 30 40 CIEB C=C(Br)Cc1cccc(C(F)(F)F)c1 71795172 GBCPMECXNBHZSI-UHFFFAOYSA-N 265.072 4.157 30 40 CIEB N#Cc1ccc2c(ccn2Cc2ccc(F)cc2Cl)c1 216945875 NWWHRNQQOODQPG-UHFFFAOYSA-N 284.721 4.354 30 40 CIEB CC(C)c1ccc(C(=O)n2ccc3cc(C#N)ccc32)cc1 216961552 RHHHEGJJRYGBEX-UHFFFAOYSA-N 288.350 4.325 30 40 CIEB Cc1ccc(C(=O)/C=C/c2cnn(-c3ccccc3)c2)s1 12908805 LJPPYSWXYASZNK-CMDGGOBGSA-N 294.379 4.138 30 40 CIEB CC1(C)[C@H]2CC[C@]1(C)/C(=N\OC(=O)c1ccc(F)cc1)C2 13477480 PQAMVPPCXDLVCM-UXYLTIGXSA-N 289.350 4.185 30 40 CIEB CCCc1ccc(C#Cc2ccc(OCC)cc2)cc1 32237262 BVYDYACXLFCGSJ-UHFFFAOYSA-N 264.368 4.438 30 40 CIEB CCc1cc(C)n(Cc2cccc3ccccc23)c1C#N 78405358 FVJXZXIIRVSCQF-UHFFFAOYSA-N 274.367 4.432 30 40 CIEB Oc1ccc2ccccc2c1/C=N\c1cccc(F)c1 96006208 GSIHJYQKNMWELJ-ODLFYWEKSA-N 265.287 4.435 30 40 CIEB Cc1ccc(/C(O)=C/C=N/c2cccc(O)c2)cc1 101468063 SJMDCGREXQRGKT-ZAGBYUSBSA-N 253.301 4.002 30 40 CIEB C=C(C)COc1cccc(C(=O)NC(C(C)C)C(C)C)c1 219778229 BGJYTIMVPSQZIR-UHFFFAOYSA-N 289.419 4.052 30 40 CIEB CCCCOc1ccc(N=Cc2ccc(C#N)cc2)cc1 256136081 NFABQUNUXAXGBJ-UHFFFAOYSA-N 278.355 4.488 30 40 CIEB C=C[C@@]1(c2ccc3ccccc3c2)OC[C@H](CC)O1 1644411 TYNMRKHQEUSCGK-DLBZAZTESA-N 254.329 4.004 30 40 CIEB Cc1cc(Cl)ccc1/N=C/c1ccc(N(C)C)cc1 2161909 VOMIFQABAXADCU-WOJGMQOQSA-N 272.779 4.465 30 40 CIEB CCCC[C@H](CC)[C@H](O)C#Cc1cc(C)cc(C)c1 95633041 OTPYSEKPSQCBAF-ZWKOTPCHSA-N 258.405 4.232 30 40 CIEB C=CCSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7789482 XGMCXJGIDSRAIC-UHFFFAOYSA-N 296.399 4.039 30 40 CIEB CC(C)(C)OC(=O)/N=C/c1cccc2ccccc12 59063702 HEEIHDRBPANCHJ-GZTJUZNOSA-N 255.317 4.194 30 40 CIEB COc1ccc(C(=O)/C=C/c2ccccc2)c(Cl)c1 83193864 CTQWSKZNOVWWTB-JXMROGBWSA-N 272.731 4.245 30 40 CIEB FC(F)(F)c1cc(Cl)ncc1C(F)(F)C(F)(F)F 97949896 FEODIBOBOBOZOC-UHFFFAOYSA-N 299.548 4.408 30 40 CIEB Cc1ccc(/N=C/C2=C(O)C[C@H](c3ccco3)CC2=O)cc1 100430367 CMIPYAPQINOLIE-MDBUFAAASA-N 295.338 4.249 30 40 CIEB N#CCCCCCC(=O)c1ccccc1Br 2392775 TVRJWQXIJSJZLI-UHFFFAOYSA-N 280.165 4.106 30 40 CIEB CCCCCCCn1c([C@H](C)O)nc2ccccc21 50704854 UZNPLHOAJAAIII-ZDUSSCGKSA-N 260.381 4.060 30 40 CIEB Cc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)o1 37108 KZHMWLKTQPBDKG-RQZCQDPDSA-N 270.357 4.151 30 40 CIEB C[C@@H]1CCC[C@@H](C)N1/N=C/c1cccc(Br)c1 5752562 XIHULUDAWNYTRF-DYBVGFEPSA-N 295.224 4.046 30 40 CIEB Cc1c(-c2ccc(Cl)cc2)oc(N)c(C#N)c1=S 16249023 MELVYDDECAISDI-UHFFFAOYSA-N 276.748 4.092 30 40 CIEB O/N=C1/CCCC[C@H]1[C@@H](O)c1c(Cl)cccc1Cl 17110171 WQHCCBTXKDWWRJ-LFEHVOOOSA-N 288.174 4.047 30 40 CIEB Cc1ccc(C)c(/N=C\c2cc(C)c(O)c(C)c2)c1 109111707 RAYZNUUIVIFUPN-ZDLGFXPLSA-N 253.345 4.376 30 40 CIEB N#CC1(c2ccc(Br)cc2Cl)CCC1 238566351 NFEGAJKNLSGDHU-UHFFFAOYSA-N 270.557 4.048 30 40 CIEB CC(C)(C)c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 37208 PCXYVTMCXRZOEC-UHFFFAOYSA-N 292.382 4.302 30 40 CIEB CC(C)(C)c1ccc(C(=O)Nc2sccc2C#N)cc1 2692893 GDBNXOBZVIMYHQ-UHFFFAOYSA-N 284.384 4.170 30 40 CIEB CCCCOc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1 4539026 ZODVNGJHTPZQCK-AWNIVKPZSA-N 296.366 4.467 30 40 CIEB Cc1ccccc1N(C(=O)c1cccc(CC#N)c1)C(C)C 78554849 FRHVLRNBGNYHMP-UHFFFAOYSA-N 292.382 4.116 30 40 CIEB CC[C@H](C)n1c(C#N)ccc1Cc1ccc(C)cc1 226029519 BRAJPAMBDMFZBD-AWEZNQCLSA-N 252.361 4.230 30 40 CIEB O/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 253575482 UQRAAKVNDDGRTG-CAOOACKPSA-N 296.153 4.381 30 40 CIEB N#Cc1cncc(Oc2ccc(F)c3ccccc23)c1 685937123 BFELOFDNSWOGMW-UHFFFAOYSA-N 264.259 4.038 30 40 CIEB COc1ccc(/C=C/C(=O)c2ccc(Cl)s2)cc1O 7741694 FDTLGZJYAZOUOM-DUXPYHPUSA-N 294.759 4.012 30 40 CIEB Cc1c(CC(C)C)nc(N)c(C#N)c1-c1ccccc1Cl 19706384 RJQDVGVYCCJVIP-UHFFFAOYSA-N 299.805 4.363 30 40 CIEB C=CCOc1ccc(CNc2ccc(C)cc2C)cc1 22149781 HCFBBUOCQNSIMA-UHFFFAOYSA-N 267.372 4.480 30 40 CIEB CCCCCCCCCCCCCNC[C@@H](C)O 73371939 ZTORWOYKFDPZQI-MRXNPFEDSA-N 257.462 4.268 30 40 CIEB C(#Cc1ccc(-c2ccccc2)cc1)CO[C@@H]1CCCCO1 95632832 OASYQJHPARARAF-HXUWFJFHSA-N 292.378 4.248 30 40 CIEB CC1(C)[C@@H]2C=C/C(=N\Nc3ccccc3)[C@]1(C)CC2 100363448 BRWUQZIWYMVOHR-UATXZWOKSA-N 254.377 4.467 30 40 CIEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/O)cc21 223505183 SLPVFXZDVIIZOX-VCHYOVAHSA-N 272.392 4.213 30 40 CIEB CCCCCC[C@@](C)(O)C#C[C@](C)(O)CCCCCC 1687079 WDWJDXFFWSXMBZ-QZTJIDSGSA-N 282.468 4.433 30 40 CIEB N#Cc1ccccc1OCc1cccc2ccccc12 3618300 YPAKRWFRPIPYCC-UHFFFAOYSA-N 259.308 4.290 30 40 CIEB O=C1/C(=C/c2ccccc2)CCC/C1=C\c1ccco1 4936919 JLSHBKOYWMSCCR-WSGPNKEYSA-N 264.324 4.500 30 40 CIEB N#Cc1c(F)cccc1NCC12CC3CC(CC(C3)C1)C2 7782712 UWJYRFKKABWPLU-UHFFFAOYSA-N 284.378 4.326 30 40 CIEB CO[C@H](C)c1nc(CSc2cccc(C#N)c2)cs1 89913579 YIJMFCRUIZVCMS-SNVBAGLBSA-N 290.413 4.014 30 40 CIEB OC(/C=N\c1ccccc1)=C/C=C/Nc1ccccc1 100388913 AODMFXLIWQBNQE-UDVAAMPYSA-N 264.328 4.457 30 40 CIEB Cl/C(=N/c1ccccc1)c1cc(Cl)ccn1 104089068 YGXHFKMDIJYISB-FOWTUZBSSA-N 251.116 4.052 30 40 CIEB O/N=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 408945196 WEGONDSIMHUXAE-CAOOACKPSA-N 296.153 4.381 30 40 CIEB N#Cc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1 3445784 BPCITXHWFMFCQA-UHFFFAOYSA-N 298.651 4.418 30 40 CIEB N#Cc1ccc(/C=N/Nc2ccccc2C(F)(F)F)cc1 5163462 BYGHQJLUJQXGIO-KEBDBYFISA-N 289.260 4.023 30 40 CIEB C=CCNCc1ccc(-c2cc(Cl)ccc2C)o1 20158634 DCKZLMFUOYRPJT-UHFFFAOYSA-N 261.752 4.184 30 40 CIEB C=CCOc1ccc(CNc2ccc(CC)cc2)cc1 20556712 HVDCFMKODBAYEB-UHFFFAOYSA-N 267.372 4.426 30 40 CIEB CCCCCCCCCCCCOC(=O)CCN1CC1 104076739 GAKRTWXYVYPOOA-UHFFFAOYSA-N 283.456 4.156 30 40 CIEB C/C(=C\C(=O)c1ccc(C)cc1)Nc1ccc(F)cc1F 109378714 YWYNVNJYVNDOEP-FMIVXFBMSA-N 287.309 4.472 30 40 CIEB CCc1ccc(C(=O)/C=C/Sc2ccccn2)cc1 174385 HVDNPQZTYFMMSL-ZRDIBKRKSA-N 269.369 4.133 30 40 CIEB C=C[C@@](C)(O)C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O 526134 HTYVNKCNBDAITQ-CSQLCUNESA-N 294.479 4.307 30 40 CIEB O=C1/C(=C/c2cccc(F)c2)CSc2ccc(F)cc21 13135322 CWNBLNSDIQJNAB-IZZDOVSWSA-N 288.318 4.337 30 40 CIEB CCN(CC)CC(C)(C)C(=O)/C=C\c1ccc(Cl)cc1 17142909 DZSMSQZYFGGZDN-XFXZXTDPSA-N 293.838 4.290 30 40 CIEB C/C(=N\Nc1ccc2ccccc2n1)c1cccs1 20986029 OPZUNNYIPUOCIM-GZTJUZNOSA-N 267.357 4.132 30 40 CIEB CCOc1ccc(/C=C/C(=O)c2ccccc2C)cc1 58773689 MIECYPJFDVUCAW-JLHYYAGUSA-N 266.340 4.290 30 40 CIEB CCOc1cc(/C=N/O)ccc1OCc1cc(C)cc(C)c1 408941351 WIRKUEPJUHIMGW-YBFXNURJSA-N 299.370 4.089 30 40 CIEB N#Cc1ccc(Nc2ccc(Cl)c(Cl)c2)c(N)c1 35674538 MVUUACAXCFTXJV-UHFFFAOYSA-N 278.142 4.191 30 40 CIEB Cc1ccc(C)c(/N=C\c2ccc(N3CCCC3)o2)c1 408851477 ZVLAKANHORMYOI-PDGQHHTCSA-N 268.360 4.247 30 40 CIEB CC[C@@H]1CCc2c(sc(NC(=O)CC(C)C)c2C#N)C1 483771 MYKCJIVDSRGPCI-LLVKDONJSA-N 290.432 4.119 30 40 CIEB C=C[C@H](O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 5379849 XCZLDKLVCNBMMY-AWEZNQCLSA-N 262.393 4.207 30 40 CIEB COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 5639891 AHRUQYUNCSLMTG-DHZHZOJOSA-N 272.731 4.245 30 40 CIEB C[C@H]1CCC/C(=N/Nc2ccc3ccccc3n2)C1 16916666 QTRQJBWCSNJCAU-XHAIIGHRSA-N 253.349 4.213 30 40 CIEB CCc1ccc(/C=C/C(=O)c2ccccc2OC)cc1 32114435 NUVGEMOOZBTOTA-OUKQBFOZSA-N 266.340 4.154 30 40 CIEB C/C(C[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)O)=N\O 23550068 UQZPTNMTFZKAOM-RNRKDSJMSA-N 281.440 4.220 30 40 CIEB N#Cc1c(Cl)nc2c(c1-c1ccccc1)CCCC2 41388720 ABQSLKNQOYWSDF-UHFFFAOYSA-N 268.747 4.152 30 40 CIEB O=C(/C=C(\O)c1ccccc1)/C=C/c1c[nH]c2ccccc12 100795811 JHVGLDQLTODGLI-XXGYVPGJSA-N 289.334 4.349 30 40 CIEB biogenic Cc1ccc(N/N=C2/Sc3ccccc3C2=O)cc1C 408719799 FPJLVNKMVPPTPI-FBMGVBCBSA-N 282.368 4.017 30 40 CIEB C=CCSc1nnc(-c2ccc(Cl)cc2)n1CCC 409108560 VFYHLRZEYNSFBH-UHFFFAOYSA-N 293.823 4.287 30 40 CIEB CN(C)CCC[C@](C#N)(c1ccccc1)C1CCCCC1 6426280 UKRGHYKLCLXWCJ-IBGZPJMESA-N 284.447 4.370 30 40 CIEB CCOc1ccc(/N=C/c2ccc(OC)c(OCC)c2)cc1 6962539 FWRDCPXJGMPJMX-CPNJWEJPSA-N 299.370 4.243 30 40 CIEB O=C(C/C=N/OCc1ccccc1)c1sccc1Cl 8873318 QYSWGDKPPBOTTI-LZYBPNLTSA-N 293.775 4.177 30 40 CIEB CCOc1cc(/C=C2/CCc3ccccc3C2=O)ccc1O 39377043 SYJXTNRKUJSREH-PTNGSMBKSA-N 294.350 4.003 30 40 CIEB N#Cc1c(-c2cccc(Br)c2)ccnc1Cl 41483726 HJDSPFMOXNAORI-UHFFFAOYSA-N 293.551 4.036 30 40 CIEB CCCCCCCCCCB(O)OC(C)(C)C(C)(C)O 1570001712 LCZRISLGOGAUAE-UHFFFAOYSA-N 286.265 4.174 30 40 CIEB Oc1ccc(/C=N/c2cc(Cl)cc(Cl)c2)c(O)c1 298111 LHXTUTIWKPGLMO-FRKPEAEDSA-N 282.126 4.155 30 40 CIEB N#C[C@@H]1c2ccccc2C=CN1C(=O)c1ccc(Cl)cc1 5004829 WUOIQKKMXXLJPU-MRXNPFEDSA-N 294.741 4.031 30 40 CIEB Cc1ccc(/N=N/C(C#N)=N\Nc2ccccc2)cc1 5165047 QOJBTEPJESDLKG-WZAZMUEISA-N 263.304 4.028 30 40 CIEB O=C1/C(=C/c2ccccc2Br)Cc2ccccc21 12598723 MPNLGEXIXZQQFU-JLHYYAGUSA-N 299.167 4.272 30 40 CIEB Brc1cccc(C2CC(=NOC3CCC3)C2)c1 42750706 JMHNDTCONOPBPP-UHFFFAOYSA-N 294.192 4.252 30 40 CIEB Cc1ccc(/C=C2\CCC(=C3SCCS3)C2=O)cc1 68590830 VHKQENSDFBIROR-JLHYYAGUSA-N 288.437 4.433 30 40 CIEB C=CCCC(=O)c1cccc(OCc2ccccc2)c1 136601131 RXWYQAUONMNIPZ-UHFFFAOYSA-N 266.340 4.415 30 40 CIEB C[C@@]1(c2ccccc2)CC/C(=C/c2ccccc2)C1=O 1599947 GYRXIIXAVFMVSI-VDUFWMCCSA-N 262.352 4.391 30 40 CIEB C[C@@H]1O[C@@H]1c1ccc(-c2ccc([C@H]3O[C@H]3C)cc2)cc1 4429633 DKPSJBDPZNTLCN-BMEPFDOTSA-N 266.340 4.273 30 40 CIEB C[C@@H]1CCC/C(=N\Nc2ccc(Cl)c(C(=O)O)c2)C1 5417142 FWTUMAZCMBLXRM-PQDUMBNFSA-N 280.755 4.016 30 40 CIEB Cc1cc(C#N)c(C)n1-c1cc(Cl)ccc1Cl 32113807 LXBTZDVSVGPLLO-UHFFFAOYSA-N 265.143 4.273 30 40 CIEB CCCCCCCC/C=N/Nc1ccc([N+](=O)[O-])cn1 95741187 FUNOOJDMPPOHKG-LFIBNONCSA-N 278.356 4.138 30 40 CIEB N#C[C@@H]1C=CC=CN1/C(=N/c1ccccc1)c1ccccc1 100437671 FWCAZHXBGVHHGU-LDSGZGKSSA-N 285.350 4.043 30 40 CIEB CC[C@H](C)n1c(C#N)cc(N)c1Sc1ccccc1 225887707 FORFSYDSDPUWOR-NSHDSACASA-N 271.389 4.064 30 40 CIEB C#CCOc1ccc(Cl)cc1/C=N/c1ccc(OC)cc1 8116459 MKFCPZGLXPLEMB-XDHOZWIPSA-N 299.757 4.111 30 40 CIEB C/C(=N\Nc1cccc(Cl)c1)c1cnc2ccccc2n1 16137196 BUVBLEHLLSILBD-RGVLZGJSSA-N 296.761 4.119 30 40 CIEB Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1 36047271 CUYIELKTVRBRRG-ZDUSSCGKSA-N 292.363 4.095 30 40 CIEB N#Cc1ccc(CNc2ccnc3cc(Cl)ccc23)cc1 37749676 LXHAKZHJOHDACB-UHFFFAOYSA-N 293.757 4.372 30 40 CIEB C[C@H](c1ccc(Cl)c(Cl)c1)[S@](=O)CCCC#N 97097876 JZGCHNLFQNIHHB-XLFHBGCDSA-N 290.215 4.107 30 40 CIEB Cc1ccc(N/C=C2/Sc3ccccc3C2=O)cc1 100142770 LRRIEDXJLCROST-XNTDXEJSSA-N 267.353 4.237 30 40 CIEB C/C(Nc1ccccc1)=C1\Sc2ccccc2C1=O 100604234 KCRKKNBTDAGTOG-LFIBNONCSA-N 267.353 4.319 30 40 CIEB Cc1ccc(C(=O)/N=C2\C[C@H]3CC[C@]2(C)C3(C)C)cc1 100834723 QHRWIYCBIBBJQB-NTSHNEJPSA-N 269.388 4.422 30 40 CIEB CCCCCCCNC(=O)c1cc2cc(F)ccc2[nH]1 102506069 PYHAEGAEGVVFCX-UHFFFAOYSA-N 276.355 4.007 30 40 CIEB N#Cc1ccc(C(=O)c2ccccc2Cc2ccccc2)cc1 1654277 VODABIGVINNTKH-UHFFFAOYSA-N 297.357 4.380 30 40 CIEB N#Cc1c(-c2ccc(Cl)cc2)n(O)c2ccccc12 1704296 NUBJHMUYDQLJDY-UHFFFAOYSA-N 268.703 4.071 30 40 CIEB Cc1cc(C)cc(N/N=C2\C(O)=Nc3c(C)cccc32)c1 8514228 BRBBUEIMCAKPSX-UHFFFAOYSA-N 279.343 4.030 30 40 CIEB CCC[C@H](C)NC(=O)c1ccc(C#Cc2ccccc2)cc1 25380911 ACXTVTIPEZXEHG-INIZCTEOSA-N 291.394 4.005 30 40 CIEB N#Cc1c(-c2ccccc2)cn(-c2cccc(Cl)c2)c1N 27986023 ADUSGMISWNCOTJ-UHFFFAOYSA-N 293.757 4.252 30 40 CIEB Cc1ccccc1-c1[nH]c(=S)c(C#N)c2c1CCC2 96179324 OXOQLHHLALYUCT-UHFFFAOYSA-N 266.369 4.080 30 40 CIEB Fc1ccc(/N=C/c2ccc(Br)cc2)cc1 485039 GRJJOTKXGXRNQS-CXUHLZMHSA-N 278.124 4.339 30 40 CIEB CSc1ccc(NC(=O)c2cc(C)cc(C)c2)cc1C#N 3104732 YLZFMESFWGMLMM-UHFFFAOYSA-N 296.395 4.149 30 40 CIEB COc1ccccc1Nc1nc2ccc(C)cc2cc1C#N 4125382 ABSLGDYKEIWQEI-UHFFFAOYSA-N 289.338 4.167 30 40 CIEB COc1ccc2c(c1)CCC1=C2CCC2=CC(=O)CC[C@@]21C 4887307 LIWPFSRVWYAGHN-FQEVSTJZSA-N 294.394 4.484 30 40 CIEB C=C(C)COc1cccc(C(=O)Nc2ccc(CC)cc2)c1 8570582 HJMHCRXULCHRSP-UHFFFAOYSA-N 295.382 4.456 30 40 CIEB CN1CCCCC/C1=N/c1nc(-c2ccccc2)cs1 13301197 DVDVAHPIOQVJTP-SDXDJHTJSA-N 285.416 4.346 30 40 CIEB CCCCCCC(=O)/C=C\c1cccc([N+](=O)[O-])c1 17105363 UPBYAGXWSZFLMA-KHPPLWFESA-N 261.321 4.148 30 40 CIEB Cc1ccc(C(C)C)c(O)c1/N=C/c1cccc(O)c1 17312771 DNYOBSUOGWHMLZ-VCHYOVAHSA-N 269.344 4.280 30 40 CIEB C[C@H]1/C(=N/O)C[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 96429655 WRZFUOOSXMQGBT-WLXKUWDESA-N 294.398 4.271 30 40 CIEB N#Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12 555480 UIIWUFANCSBMSB-UHFFFAOYSA-N 296.757 4.245 30 40 CIEB C[C@]1(C#N)CCCC(c2ccccc2)(c2ccccc2)C1=O 1564915 ANTBKUXVOASEJR-LJQANCHMSA-N 289.378 4.256 30 40 CIEB C/C(=N/Nc1ncc(Cl)cc1Cl)c1ccccc1 4499638 JLANLDDBXKSETL-MFOYZWKCSA-N 280.158 4.225 30 40 CIEB O/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 4700383 GSXJLSMQRIQJBH-CAOOACKPSA-N 296.153 4.381 30 40 CIEB CC(C)(C)NC/C(=C\c1ccccc1)C(=O)c1ccccc1 5045960 PYGLETLOMHWMRC-NBVRZTHBSA-N 293.410 4.341 30 40 CIEB O/N=C1/CCCCCCCCCC[C@H]1N1CCCC1 5621494 YPUQSFAZBHQHLM-CFBLSMTOSA-N 266.429 4.196 30 40 CIEB COc1ccc([C@@H]2C[C@H]2/C(C)=N/OCc2ccccc2)cc1 12351031 WLQFTXQRMPDHMI-HXBDHHQRSA-N 295.382 4.391 30 40 CIEB C[C@H](/N=C/c1ccccc1)[C@@H](C)/N=C/c1ccccc1 13810225 SRGCDOZVOIUMMF-FVRQNWKXSA-N 264.372 4.002 30 40 CIEB N#Cc1ccc(-c2ccc(/C=N/c3cccc(O)c3)o2)cc1 15227146 PISHNDOSMUUMPX-UDWIEESQSA-N 288.306 4.274 30 40 CIEB COc1ccc2ccccc2c1/C=N/Nc1ccccc1 27912106 RETFODVIGGTEGX-CPNJWEJPSA-N 276.339 4.294 30 40 CIEB C=C(C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 39128452 PDVGBHJUFOXSOJ-UHFFFAOYSA-N 282.183 4.483 30 40 CIEB C=CCOc1cccc(NC(=S)Nc2ccc(C)cc2)c1 63790966 RXURALKYKYAFJK-UHFFFAOYSA-N 298.411 4.369 30 40 CIEB C=CCCCOc1cc(Br)cc(F)c1F 219917214 JLUWCFKDVHSOAM-UHFFFAOYSA-N 277.108 4.072 30 40 CIEB O=[N+]([O-])c1ccc(/C=N/c2ccccc2C2CC2)cc1 269256 RCBHONCTHNBBFX-GZTJUZNOSA-N 266.300 4.223 30 40 CIEB Cc1[nH]c2ccccc2c1/C=N/c1cccc([N+](=O)[O-])c1 566968 NUVLSCMKHVVOHE-LICLKQGHSA-N 279.299 4.135 30 40 CIEB CCCCCCCCCCCCN1CCNC1=S 1724624 FYMGJTXEYFLGCO-UHFFFAOYSA-N 270.486 4.097 30 40 CIEB C[C@H](CCc1ccccc1)Nc1nc(Cl)c(C#N)s1 4107484 JDXVLDGVYSFHRX-SNVBAGLBSA-N 291.807 4.101 30 40 CIEB C[C@H](C/C=N/Nc1nc2ccccc2[nH]1)c1ccccc1 5022194 AEBFMYLGKZMGMM-RNEAKCBISA-N 278.359 4.154 30 40 CIEB CCCc1c(C)c(C#N)c2nc3ccccc3n2c1Cl 6564548 DQIZZPOKIFSQNZ-UHFFFAOYSA-N 283.762 4.274 30 40 CIEB C/C(=C\C(=O)C(F)(F)F)Nc1ccc(C(F)(F)F)cc1 13121701 OOPSSEBRWAAECV-VOTSOKGWSA-N 297.198 4.153 30 40 CIEB CC(C)(C)[C@H]1CCCC[C@H]1NCc1cccc(C#N)c1 35255165 WEUIHWIUBGYHOW-DLBZAZTESA-N 270.420 4.253 30 40 CIEB CCn1nc(C)c(/C=C/C(=O)c2cc3ccccc3o2)c1C 58250386 OTMPNDKVHSWESH-MDZDMXLPSA-N 294.354 4.162 30 40 CIEB C[C@H](C#N)CSc1ccccc1NC(=O)C1CCCC1 65453402 PQMALJZKUXBNBM-GFCCVEGCSA-N 288.416 4.067 30 40 CIEB Fc1ccc(/C=N\C23CC4CC(CC(C4)C2)C3)cc1 104211539 VRSTXEAKHMWZHJ-ODLFYWEKSA-N 257.352 4.213 30 40 CIEB FC(F)(F)c1ccc(/C=N/Nc2cccc(Cl)n2)cc1 4673120 ZXOXGKWOCMBLCO-QGMBQPNBSA-N 299.683 4.200 30 40 CIEB N#C[C@@H](C(=O)C1CCCCC1)c1nc2ccccc2s1 5578527 HNVDIAUZUTUALC-LBPRGKRZSA-N 284.384 4.053 30 40 CIEB C=CCOc1ccccc1CNc1ccc(CC)cc1 37212921 PFUFJXBUDWBCRQ-UHFFFAOYSA-N 267.372 4.426 30 40 CIEB C=CCOc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1 59444468 WXSGYZAOASOQNC-IZZDOVSWSA-N 282.314 4.287 30 40 CIEB N#CCCCCN1Cc2ccccc2-c2ccccc2C1 60366589 GQLGDASREVHPQW-UHFFFAOYSA-N 276.383 4.363 30 40 CIEB CC1=C[C@](C)(C(Cl)(Cl)Cl)C(C)=C/C1=N\O 100596644 KWZMBIRKWQBTEG-PFMRQGHBSA-N 268.571 4.099 30 40 CIEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccccc2O)C1 408563985 TZIZIBVBWHVZNW-XTZCOPOCSA-N 287.403 4.493 30 40 CIEB CC(/C=C/c1ccccc1)=N/OC(=O)c1ccccc1C 5005577 QVLGSAPAXWTORE-JFNIHZHXSA-N 279.339 4.241 30 40 CIEB Cc1ccc(/C=C/c2cc(C)[nH]c(=S)c2C#N)cc1 5730469 WWNHXFGJDFGJIU-BQYQJAHWSA-N 266.369 4.403 30 40 CIEB COc1ccc(/C=N/c2ccc(C)cc2C)c(OC)c1 8368775 PSBPXZSJLCHUOC-WOJGMQOQSA-N 269.344 4.071 30 40 CIEB CCCC[C@H](CC)[C@H](O)C#Cc1ccc(CC)cc1 95632163 IOKMJMMDNWIBAE-ZWKOTPCHSA-N 258.405 4.178 30 40 CIEB Cc1cccc(C(=O)O/N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)c1 100505518 KXEOEKZAZBDEPB-ANIDXDNHSA-N 285.387 4.354 30 40 CIEB CC/C(=N\Nc1nc2ccccc2[nH]1)c1cccc(Cl)c1 5695124 MDWYAUUQPJZBSL-DEDYPNTBSA-N 298.777 4.443 30 40 CIEB COc1cccc(C(=O)/C=C/c2cccc(Cl)c2)c1 5720955 QDNRKGCOGHPJDS-CMDGGOBGSA-N 272.731 4.245 30 40 CIEB C=CCNCc1ccc(OCc2ccc(Cl)cc2)cc1 6855877 LDZPSPIUZWOUMT-UHFFFAOYSA-N 287.790 4.195 30 40 CIEB N#Cc1nc(-c2cccs2)oc1NCc1ccc(F)cc1 27662948 SDPBPEIOCZXIIQ-UHFFFAOYSA-N 299.330 4.026 30 40 CIEB Clc1ccc(/C=N\Nc2nc3ccccc3s2)cc1 31628484 YCWULWONUYQQCB-SXGWCWSVSA-N 287.775 4.396 30 40 CIEB C=C(Br)Cc1ccc(CCCC)cc1 63339331 FDEKUMVJMABVQJ-UHFFFAOYSA-N 253.183 4.480 30 40 CIEB Clc1ccc(/N=C\C=C/Nc2ccc(Cl)cn2)nc1 104313297 QQOYEDBNQKVVDM-ALBXONBMSA-N 293.157 4.112 30 40 CIEB C=CCOc1ccc(CNc2ccccc2C)cc1OC 237287957 BPERWIKQTQDFCS-UHFFFAOYSA-N 283.371 4.181 30 40 CIEB CCn1c(C)cc(/C=N/c2ccc(C(C)=O)cc2)c1C 409074717 VASICIMMXSJCER-WOJGMQOQSA-N 268.360 4.078 30 40 CIEB COc1ccc(C(=O)/C=C/c2cccc(Cl)c2)cc1F 7336051 SZFMKLPDGVBRQS-FNORWQNLSA-N 290.721 4.384 30 40 CIEB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\O 12657946 XLJMBRPBVDJBPJ-XZAYGHNKSA-N 285.387 4.079 30 40 CIEB Cc1cccc(/C=N/C23CC4CC(CC(C4)C2)C3)c1 18154967 HLGVZVNEMYYNSJ-XDHOZWIPSA-N 253.389 4.383 30 40 CIEB C=CCc1cc(C=O)ccc1OCc1cccc(C)c1 408850044 DLYYBUHDMRLZMC-UHFFFAOYSA-N 266.340 4.115 30 40 CIEB CSc1ccc(/C=N/c2cc(C)ccc2O)cc1 46330 PWZVMNRPOLAGDH-MHWRWJLKSA-N 257.358 4.173 30 40 CIEB CCOc1ccc(/C=N/c2ccc3nc(C)[nH]c3c2)cc1 1233245 BEFMDCNQYXELIB-WOJGMQOQSA-N 279.343 4.021 30 40 CIEB C=C[C@H](c1ccccc1)c1cc2c(cc1OCC)OCO2 1581578 LTSYCHQHYKSLCE-CQSZACIVSA-N 282.339 4.132 30 40 CIEB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CCCc2ccccc21 4709520 CVMBKCXVNKLREA-NTCAYCPXSA-N 293.322 4.197 30 40 CIEB O=C(/C=C/c1c(F)cccc1Cl)c1cccs1 6828589 ZWQNTUOKMQAPRG-VOTSOKGWSA-N 266.724 4.437 30 40 CIEB C/C(=N\NCc1c(Cl)cccc1Cl)c1ccc(C)o1 13586081 SOLRPWIEHAIBAF-VCHYOVAHSA-N 297.185 4.409 30 40 CIEB O=C1/C(=C/c2cccc(F)c2)CCOc2ccc(F)cc21 22756543 TZQWQWQWJWISQB-XYOKQWHBSA-N 286.277 4.014 30 40 CIEB Cc1ccc(C)c(C(=O)/C=C/Nc2cccc(F)c2)c1 44844493 VOXKXFAMTBRFDK-CMDGGOBGSA-N 269.319 4.251 30 40 CIEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)Nc1ccc(C(C)=O)cc1)C2 100749527 GZRSFDHLYNQBBT-BEFAXECRSA-N 297.398 4.210 30 40 CIEB C=C1[C@H]2CC[C@@H](C2)[C@@]1(C)CC/C=C(/C)COC(C)=O 100826212 RCFGRZLLBGMERD-LWNGRFPLSA-N 262.393 4.268 30 40 CIEB endogenous,in-man Cc1cccc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 575358843 UJPMFLOJSHEXGU-UHFFFAOYSA-N 288.162 4.011 30 40 CIEB COc1cccc(/N=C/c2c(O)ccc3ccccc23)c1 273891 FWROWVXHYHSYTO-XDHOZWIPSA-N 277.323 4.305 30 40 CIEB CCCCCCCCCCC[n+]1ccc(C#N)cc1 1712171 JNKWOMQGDMBTNJ-UHFFFAOYSA-N 259.417 4.377 30 40 CIEB N#Cc1cc(Cl)nc(Oc2ccc(Cl)cc2)c1 4289312 FFSQQKSBHACKFE-UHFFFAOYSA-N 265.099 4.052 30 40 CIEB CCc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1 5446624 OLCKUQMQTXLLOY-JLHYYAGUSA-N 250.341 4.454 30 40 CIEB N#Cc1cccc(/N=C/c2c(O)ccc3ccccc23)c1 100004250 YYDHTZMSSFTUTH-UDWIEESQSA-N 272.307 4.168 30 40 CIEB COc1ccc(/C=N/c2ccc3nc(C)ccc3c2)cc1 100354306 IQDDXJDZUNXMKH-XDHOZWIPSA-N 276.339 4.302 30 40 CIEB N#C[C@@]1(CCC[C@@H]2C[C@@H]3C=C[C@@H]2C3)C[C@H]2C=C[C@H]1C2 104065361 IARXVRLPSUMQLG-PVWHLQNVSA-N 253.389 4.475 30 40 CIEB C#CCOc1cccc(CNc2ccc(C)c(Cl)c2)c1 409116115 KRYDJMLIZYTOGS-UHFFFAOYSA-N 285.774 4.273 30 40 CIEB O=C(/C=C/c1ccccc1)c1cccc(OC(F)(F)F)c1 575358990 LRAITISICHUNGY-MDZDMXLPSA-N 292.256 4.481 30 40 CIEB CC(=O)C(=Cc1ccc(-c2ccccc2Cl)o1)C(C)=O 358586 GELOYNDXABUWFN-UHFFFAOYSA-N 288.730 4.161 30 40 CIEB N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccccc1 12696325 GBAGAZKVUOXKOT-UHFFFAOYSA-N 298.345 4.478 30 40 CIEB C[C@H](NCc1cccc(C#N)c1)c1cc2ccccc2o1 22817415 VUYUOHYLZJSHTN-ZDUSSCGKSA-N 276.339 4.155 30 40 CIEB Cc1cc(Oc2ccc(C#N)cc2)nc(-c2ccccc2)n1 58158993 FQVKVUWQYSPNOC-UHFFFAOYSA-N 287.322 4.116 30 40 CIEB CCCC[C@H](CC)[C@@H](O)C#Cc1cc(Cl)ccc1OC 95631527 JCADREQFGPTGQD-BBRMVZONSA-N 294.822 4.277 30 40 CIEB CC[C@@H](C)C[C@@](C)(O)C#Cc1cc(F)cc(Cl)c1 95633306 OIKCGOIQYTUMGP-ABAIWWIYSA-N 268.759 4.018 30 40 CIEB CCN(CC)c1ccc(/C=C2\Cc3ccccc3C2=O)cc1 3581733 FOIDOYWYRJWCGQ-GHRIWEEISA-N 291.394 4.355 30 40 CIEB Cc1csc(N/N=C/c2cc(Cl)ccc2Cl)n1 3958886 DZJAWFIVCCPPMI-LHHJGKSTSA-N 286.187 4.204 30 40 CIEB C/C(=N/Nc1ccc2ccccc2n1)c1ccccc1 4062441 DKQDGZRUPWVTAE-UYRXBGFRSA-N 261.328 4.071 30 40 CIEB Clc1ccc(N/N=C/c2ccccc2)cc1Cl 4927965 UNRUTTHSSQQHKY-CXUHLZMHSA-N 265.143 4.439 30 40 CIEB COc1cccc2cc(C(=O)/C=C/c3cccs3)oc12 7716007 YXQUKGOOPAWZNS-BQYQJAHWSA-N 284.336 4.399 30 40 CIEB O/C(CN1CCC[C@@H]1c1ccccc1)=N\c1cccc(F)c1 82100683 JPCGBXGDIDYMDX-QGZVFWFLSA-N 298.361 4.251 30 40 CIEB CCCCc1ccc(C#CC2(O)CCCCC2)cc1 95633256 RUSCWTQAOSYZEL-UHFFFAOYSA-N 256.389 4.076 30 40 CIEB N#Cc1cn(-c2cccc(Br)c2)c2ccccc12 95915578 GVCPVOHKQNYYKP-UHFFFAOYSA-N 297.155 4.265 30 40 CIEB C[C@@H](CC(=O)c1cccc(F)c1C#N)CC(C)(C)C 575362024 VNLYUOGPSKUEBK-NSHDSACASA-N 261.340 4.342 30 40 CIEB