smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#C/C(=C/c1ccc(N2CCOCC2)cc1)c1cccc(F)c1 4757570 BFBDMBJATVZHFU-ATVHPVEESA-N 308.356 3.726 50 50 DHGA C/C(=N/NC(=O)CNc1ccccc1C)c1ccc(Cl)cc1 16671211 HLXKAURAUSZBPT-MOSHPQCFSA-N 315.804 3.601 50 50 DHGA CCSc1nsc(NC(=O)[C@H](Cl)c2ccccc2)n1 74941562 ZJGBZSQUCUBWGU-SECBINFHSA-N 313.835 3.569 50 50 DHGA O=C(CCl)Nc1ncc(Cc2ccc(Cl)cc2)s1 146974 RKIFFJPHUHULCH-UHFFFAOYSA-N 301.198 3.565 50 50 DHGA CCC/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 16310406 IUCCJLGRRWREOO-VLGSPTGOSA-N 311.341 3.529 50 50 DHGA C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C#N 257356338 HMLYKJJOHHAVFP-GMZCJUQFSA-N 315.457 3.565 50 50 DHGA CC(C)(NC(=O)[C@@H](Br)C(C)(C)C)c1ccccc1 1854713 WZDDLAZXUYIVMU-GFCCVEGCSA-N 312.251 3.848 50 50 DHGA in-vitro N#CC(C#N)=CNc1ccc(Oc2ccccc2C#N)c(F)c1 170644061 FPGVASKWIGUTPS-UHFFFAOYSA-N 304.284 3.833 50 50 DHGA O=C(NN=C1CCC(c2ccccc2)CC1)c1cc(O)ccc1O 17066410 CYBKUMOXYHYQBX-UHFFFAOYSA-N 324.380 3.541 50 50 DHGA C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(O)C#N 257356732 JYCSLUASXDFIEL-FGSPNWDHSA-N 313.441 3.773 50 50 DHGA Cc1cc2nc(/C(C#N)=C/c3ccc4c(c3)OCO4)[nH]c2cc1C 4770658 IOMFYRDTSVIUAD-VGOFMYFVSA-N 317.348 3.973 50 50 DHGA O=C1C(=O)N(CCCCCCCl)c2ccc(Cl)cc21 2029021 UOELVYJPLXVOHQ-UHFFFAOYSA-N 300.185 3.669 50 50 DHGA Cc1ccc(/C=C(\C#N)c2nn3c(C)cc(C)nc3c2C#N)cc1 5212465 UHKYRYHKGKVNIQ-CXUHLZMHSA-N 313.364 3.590 50 50 DHGA C=CCN1C=C/C(=C\C=C(/C#N)C(=O)OCC)c2ccccc21 5585617 XAJCOTSIUCJVHE-KAVGSWPWSA-N 306.365 3.603 50 50 DHGA CCC[C@@H](C)[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 6648836 QHLXGBMYFXBSJF-RISCZKNCSA-N 308.385 3.683 50 50 DHGA CC(C)c1cc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cs1 17054267 CYOPHKHFYINLCG-LZYBPNLTSA-N 317.370 3.544 50 50 DHGA O=C(N/N=C/c1cc(Cl)ccc1O)c1cccc2ccccc12 301029 ZKKLQLHLAWWWRZ-RGVLZGJSSA-N 324.767 3.963 50 50 DHGA C/C(=N\NC(=O)c1cc(C(C)C)n[nH]1)c1ccc2ccccc2c1 5324859 OANQISNMFFKPNB-DEDYPNTBSA-N 320.396 3.840 50 50 DHGA CC(/C=C/C=C/c1ccccc1)=N\NC(=O)Cc1ccccc1 12343162 MVVFBPQXSDPRBD-GKGBHMSCSA-N 304.393 3.991 50 50 DHGA CCSC1=C(C#N)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 19882627 SZTDDLBNZWWKHF-AWEZNQCLSA-N 316.451 3.930 50 50 DHGA O=C(CBr)c1ccc(OCc2ccccc2)cc1 19843008 IAPCKPXQFYWNDN-UHFFFAOYSA-N 305.171 3.843 50 50 DHGA ClC(Cl)c1nc(-c2cccc(Br)c2)no1 100006714 NAYMXVAWQFRCEI-UHFFFAOYSA-N 307.962 3.975 50 50 DHGA in-vitro C/C(CCCCCl)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 6261787 KNHLWNYCRSXDIR-NTEUORMPSA-N 314.729 3.700 50 50 DHGA COc1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 485319 DKRMZWSFEMIMQX-GIJQJNRQSA-N 323.179 3.766 50 50 DHGA Cc1cc2nc(C(Cl)Cl)nc(-c3ccc(F)cc3)n2n1 1775975352 AJPPJLBUCKDBJJ-UHFFFAOYSA-N 311.147 3.715 50 50 DHGA Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CCl)cc1 506701 VGGZGAOSHSLDIF-AWEZNQCLSA-N 318.829 3.973 50 50 DHGA CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](O)CN(Cc2ccccc2)C1 197322017 LPKCLOBPWVYSOV-SJORKVTESA-N 321.537 3.644 50 50 DHGA FC(F)(F)C(F)(F)C(F)(F)CCI 2530860 TZNRRNKRZXHADL-UHFFFAOYSA-N 323.977 3.644 50 50 DHGA Cc1ccccc1NS(=O)(=O)c1ccc(N=C=S)cc1 19737308 VAALPGNGGFUCSA-UHFFFAOYSA-N 304.396 3.530 50 50 DHGA O=P(Cc1ccccc1O)(c1ccccc1)c1ccccc1 301395 NQWHOPCJTGVYOX-UHFFFAOYSA-N 308.317 3.906 50 50 DHGA biogenic,in-vitro CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 447423 PQLFKNVXXSNJMV-QGMBQPNBSA-N 324.211 3.871 50 50 DHGA C=CCC/C(C)=N/NC(=O)CSc1nc2ccccc2s1 4719031 RJBOKMKZPWNFJA-GZTJUZNOSA-N 319.455 3.847 50 50 DHGA O=c1c2ccccc2nc(CCl)n1-c1ccc(Cl)cc1 4727635 QGCQMNQFQYBYFH-UHFFFAOYSA-N 305.164 3.778 50 50 DHGA O=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccccc1Cl 326246 TXGBUVRFBSUZGB-RGVLZGJSSA-N 311.772 3.514 50 50 DHGA COC(=O)/C(C#N)=C/c1ccc(-c2ccc(OC)c(Cl)c2)o1 4541843 HZFWDAAAHBRZMH-YRNVUSSQSA-N 317.728 3.689 50 50 DHGA CCCN(C(=O)[C@H](C)Cl)[C@@H]1C[C@@H](OCC)C12CCCC2 1875364386 PEZAYTCHBPQJCO-BFHYXJOUSA-N 301.858 3.590 50 50 DHGA CC(C)C[C@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@@H](c1ccccc1)C2 179162 KBALFCXSMKSFRZ-CABCVRRESA-N 322.408 3.774 50 50 DHGA COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1C 1185658 FIHDLXVEQPKQMV-UBMTWELWSA-N 312.413 3.606 50 50 DHGA CO[C@]1(C)Oc2ccc3ccccc3c2C[C@@H]1Br 3132382 NGGSYMULDIETQY-LSDHHAIUSA-N 307.187 3.901 50 50 DHGA O=C(N/N=C\c1ccccc1Cl)c1ccccc1-n1cccc1 12959000 ZINHSYVQXVNURW-MOSHPQCFSA-N 323.783 3.895 50 50 DHGA Cc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)c(O)c1 439169 RFEQAWIYSJPNTB-FYJGNVAPSA-N 318.376 3.547 50 50 DHGA N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1[C@H]1C=CCCC1 549304 FWVRQEYFMLFVCZ-WFASDCNBSA-N 318.380 3.603 50 50 DHGA Cc1ccc(/C=N/NC(=O)c2csc3c2CC[C@H](C)C3)o1 2754902 KMEYQSZIDUGPGN-JVDJPWEPSA-N 302.399 3.538 50 50 DHGA Fc1ccc(P(c2ccc(F)cc2)c2ccc(F)cc2)cc1 68569420 GEPJPYNDFSOARB-UHFFFAOYSA-N 316.262 3.862 50 50 DHGA in-vitro CSc1ccc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1 4603497 FGXBXJVTQVQFDV-AKOHYNGRSA-N 310.422 3.662 50 50 DHGA C/C(=N\NC(=O)c1ccncc1)c1ccc(-c2ccccc2)cc1 4866378 WINZXOKASPUESU-PXLXIMEGSA-N 315.376 3.903 50 50 DHGA COc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1C 65467 FAWYQLWSSZYGIB-FYJGNVAPSA-N 318.376 3.921 50 50 DHGA FC(F)(F)c1cnc(CBr)c(Br)c1 221336957 XWCDLYFLJSPNFN-UHFFFAOYSA-N 318.918 3.758 50 50 DHGA Cc1nc([C@H](C)CNC(=O)c2ccccc2)sc1CCCl 952878549 GFTMXLQGNDBPCQ-LLVKDONJSA-N 322.861 3.766 50 50 DHGA CCCCc1ccc(OCC(=O)NN=C2CCCCC2)cc1 4366219 XHEULJSAFLAVDN-UHFFFAOYSA-N 302.418 3.844 50 50 DHGA COc1cc(C(=O)Cl)cc(Br)c1OC(C)C 40451482 ZINVORUPSVGPMB-UHFFFAOYSA-N 307.571 3.624 50 50 DHGA CCOC(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)cc1 32578351 ZEJZDEHDZLCWIY-HTQUAAPTSA-N 324.380 3.859 50 50 DHGA OB(O)c1ccc(-c2ccc3ccc4cccc5ccc2c3c45)cc1 202017568 ISMRPUXCQLIMJL-UHFFFAOYSA-N 322.172 3.931 50 50 DHGA in-vitro Fc1cc(Br)c(F)c(CBr)c1F 675050404 HHEYZYOVPTXRSB-UHFFFAOYSA-N 303.903 3.761 50 50 DHGA CN(Cc1ccc(Cl)s1)C(=O)/C(C#N)=C\c1ccco1 222072401 VDLJMWPGVHOPML-YFHOEESVSA-N 306.774 3.560 50 50 DHGA C[C@H](Br)[C@H](Br)c1ccccc1[N+](=O)[O-] 3136375 KNWSETUUNBNVIV-RCOVLWMOSA-N 322.984 3.814 50 50 DHGA CCCCOc1ccc(/C=N/NC(=O)C2CCCCC2)cc1 2521957 YTBQXZIYULZVLI-XMHGGMMESA-N 302.418 3.896 50 50 DHGA COc1cccc(/C=C(\C#N)c2nc3ccccc3n2C)c1OC 4339104 OKAMULSIRCBUAV-SDNWHVSQSA-N 319.364 3.655 50 50 DHGA [C-]#[N+][C@H](c1ccc(F)cc1F)S(=O)(=O)c1ccc(C)cc1 59705736 JULOFCZKOQFMRJ-HNNXBMFYSA-N 307.321 3.665 50 50 DHGA O=C(COc1ccccc1Cl)N/N=C/c1ccc(Cl)cc1 566560 QXGRUYCLRVFCDD-GIJQJNRQSA-N 323.179 3.523 50 50 DHGA CCOC(=O)C(C#N)=CNc1cccc(OCc2ccccc2)c1 2041576597 JQGMXIITUYMRSW-UHFFFAOYSA-N 322.364 3.648 50 50 DHGA CC(/C=N/NC(=O)c1cc(C(C)(C)C)n[nH]1)=C\c1ccccc1 4994359 DATZHFQKNWHHLA-STHKOIKCSA-N 310.401 3.526 50 50 DHGA COc1ccc(N)c(SSc2cc(OC)ccc2N)c1 5798382 GWEVTUVEXHHEPF-UHFFFAOYSA-N 308.428 3.668 50 50 DHGA in-vitro CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB(CCCCBr)O[C@@H]1C2 169747202 DQGAIMVYOVPBSD-FMSGJZPZSA-N 315.060 3.890 50 50 DHGA O=C(CCl)N1N=C(c2ccco2)C[C@H]1c1cccc(Cl)c1 252503999 VHTNWEXNIGGOLK-ZDUSSCGKSA-N 323.179 3.850 50 50 DHGA CCc1ccc(/C=N/NC(=O)c2ccc(-n3cccc3)cc2)s1 372839 JOFHKAAMBRUOJW-CPNJWEJPSA-N 323.421 3.865 50 50 DHGA CC[C@@H]1[C@@H]2C[C@H](C(C)(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N 35330258 PJOLEJUYCOOOJH-XNRPHZJLSA-N 308.429 3.795 50 50 DHGA Cc1ccsc1C(=O)N/N=C/c1ccc2ccccc2c1O 355734 NZWTWRNHYZNWNW-VCHYOVAHSA-N 310.378 3.679 50 50 DHGA in-vitro N#CC1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1cccc(O)c1 407492 NEMYLVQPCIRWNP-GOSISDBHSA-N 314.344 3.764 50 50 DHGA CNc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl 1738147 OLJCOSFWIVRCND-DJKKODMXSA-N 322.195 3.799 50 50 DHGA O=C(N/N=C/c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 1959454 MQNNDIHVXJKRMV-XDHOZWIPSA-N 319.320 3.512 50 50 DHGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1C1CCCCC1 13018408 ARNJGYIKRACDFZ-OAHLLOKOSA-N 320.396 3.827 50 50 DHGA Cc1ccc([C@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)o1 8995812 JFXGELUMKVQUQU-AWEZNQCLSA-N 324.405 3.860 50 50 DHGA COc1ccccc1CNc1nc(CCl)nc2ccccc12 64038080 TWGSDCOCTZEWDM-UHFFFAOYSA-N 313.788 3.989 50 50 DHGA COc1ccc2[nH]c(/C(C#N)=C\c3cccc([N+](=O)[O-])c3)nc2c1 4755510 DVJRZMLHFZJIEA-GHXNOFRVSA-N 320.308 3.544 50 50 DHGA CN(C(=O)CCl)c1ccc(Cl)cc1C(=O)c1ccccc1 5699153 DSAWUUVGNZAARH-UHFFFAOYSA-N 322.191 3.773 50 50 DHGA in-vitro C[C@H](C[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2)c1ccccc1 278411 WOQHBGASMYHOTP-OCCSQVGLSA-N 308.381 3.528 50 50 DHGA O=C(Nc1c(Cl)cccc1Cl)OCCBr 2171843 FVDPTGVJVTUYDF-UHFFFAOYSA-N 312.978 3.937 50 50 DHGA CCc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 6489870 WLBMFQLTSPGYHA-XNTDXEJSSA-N 321.336 3.703 50 50 DHGA Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)c1 42433 QJYWIBUTNJLBLT-KRWDZBQOSA-N 322.408 3.754 50 50 DHGA CCOc1ccccc1/C=N/NC(=O)c1cccc(Cl)c1 95330 ZQCSVSUWNPYHQZ-WOJGMQOQSA-N 302.761 3.503 50 50 DHGA CC(C)(C)OC(=O)NNC(=S)Nc1cccc2ccccc12 2851166 CEPGQBHEHINMRD-UHFFFAOYSA-N 317.414 3.566 50 50 DHGA COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1C 15799407 FIHDLXVEQPKQMV-UIGHWDNASA-N 312.413 3.606 50 50 DHGA O=C(N/N=C/[C@H]1C[C@H]2CC[C@H]1C2)C12CC3CC(CC(C3)C1)C2 100335148 FPAPEQASBSKZKC-WUIUYNGKSA-N 300.446 3.741 50 50 DHGA COc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 28188 XAMNPVQLTFPBOY-GIJQJNRQSA-N 323.179 3.766 50 50 DHGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1[C@H]1CC=CCC1 6648831 MCVNJOHMZSRDEC-SWLSCSKDSA-N 318.380 3.603 50 50 DHGA CCOc1cc(Br)c(C(=O)Cl)cc1OCC 40451476 LXRSDAMLIIYLOH-UHFFFAOYSA-N 307.571 3.626 50 50 DHGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cccc(F)c1 298643 UWEQTFKJRWRUHV-QGMBQPNBSA-N 311.143 3.896 50 50 DHGA Cc1occc1C(=O)NN=C1c2ccccc2-c2ccccc21 308266 SGXRAKJYJXWQAH-UHFFFAOYSA-N 302.333 3.751 50 50 DHGA N#C/C(=C/c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 468417 ITYITFZNWZKCPL-LGMDPLHJSA-N 308.356 3.726 50 50 DHGA COC(=O)N[C@@H](Sc1ccc(Cl)cc1)C(Cl)Cl 283748 OOPSOBZLVAZZRL-VIFPVBQESA-N 314.621 3.918 50 50 DHGA C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]2(O)C#N 257356339 HMLYKJJOHHAVFP-JIWXIQHESA-N 315.457 3.565 50 50 DHGA CC(C)(C)c1ccc(OCC(=O)NN=Cc2cccs2)cc1 238950625 ZCKXVDCDOMRDIV-UHFFFAOYSA-N 316.426 3.575 50 50 DHGA O=C(CCl)N(Cc1cccc2ccoc12)[C@H]1CCCOCC1 1875382628 JXJAIRCLJYRYOF-HNNXBMFYSA-N 321.804 3.569 50 50 DHGA C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1O 131783 RPFYHXJJNNIMLF-DEDYPNTBSA-N 310.397 3.844 50 50 DHGA N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccc2ccccc2c1 242175 JZJOSVNTFVUQIV-IBGZPJMESA-N 313.360 3.640 50 50 DHGA O=C1OC(=O)[C@H]2c3c(ccc4ccccc34)[C@H]3CCCC[C@@H]3[C@H]12 101013197 GMVBBHPSZDEHRJ-USJZOSNVSA-N 306.361 3.910 50 50 DHGA CC1CCC(=NNC(=O)COc2ccc3ccccc3c2)CC1 260164 YURIQAXWYJYDTD-UHFFFAOYSA-N 310.397 3.901 50 50 DHGA Cc1cccc(O[C@@H](C)C(=O)N/N=C/c2ccc(Cl)cc2)c1 137677 GOJYRGTXBLLQHS-MDBUFAAASA-N 316.788 3.566 50 50 DHGA [C-]#[N+][C@@H](c1cccc(F)c1F)S(=O)(=O)c1ccc(C)cc1 100058553 WGVYWHBARPHMBW-OAHLLOKOSA-N 307.321 3.665 50 50 DHGA CC(C)C[C@@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@H](c1ccccc1)C2 179167 KBALFCXSMKSFRZ-LSDHHAIUSA-N 322.408 3.774 50 50 DHGA C[C@@H](c1nccs1)N(C(=O)CCl)[C@H]1CCCC[C@H]1C 1875369809 JKCGQHARFVFGGI-WOPDTQHZSA-N 300.855 3.850 50 50 DHGA CC1=C(C#N)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 19912813 PSXWJDFMOXENGN-QGZVFWFLSA-N 310.372 3.953 50 50 DHGA O=C1OC(=O)[C@H]2c3c(ccc4ccccc34)[C@H]3CCCC[C@H]3[C@H]12 230077452 GMVBBHPSZDEHRJ-DACLVMHWSA-N 306.361 3.910 50 50 DHGA O=C(Nc1ccc(Cl)c(Cl)c1)OCCBr 2142428 VRXAHHJWUGRFFJ-UHFFFAOYSA-N 312.978 3.937 50 50 DHGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cccs2)cc1 4210435 APXGVZLMSCSLNS-XDHOZWIPSA-N 323.421 3.920 50 50 DHGA O=C(CCCl)N1c2ccccc2OC[C@@H]1c1ccccc1 5947847 FBXOQVDAIKPIEY-OAHLLOKOSA-N 301.773 3.782 50 50 DHGA O=C(CBr)Nc1cc(C(F)(F)F)ccc1Cl 265032 KXMLPVSRXDGMOK-UHFFFAOYSA-N 316.504 3.692 50 50 DHGA CC(C)(C)OC(=O)N[C@H](CBr)c1ccccc1 113475153 CISQKOWVTCOHDF-LLVKDONJSA-N 300.196 3.647 50 50 DHGA C/C(=N\NC(=O)CCc1ccccc1)c1ccc(Cl)s1 12343119 FBXCRFXNYGLRIH-GZTJUZNOSA-N 306.818 3.875 50 50 DHGA CCOC(=O)c1ccc(C(Br)Br)cc1 1736699 XIPPQQOPENWAKG-UHFFFAOYSA-N 321.996 3.652 50 50 DHGA Cn1c(/C=C(\C#N)C(N)=S)ccc1-c1cccc(Cl)c1 543916 DJNXGKRYHLRYDZ-DHZHZOJOSA-N 301.802 3.539 50 50 DHGA COCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100014892 SUXZPAKTBJBUFX-UHFFFAOYSA-N 321.380 3.627 50 50 DHGA CCc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 59242 UXAPDTRWWQUYMR-QGZVFWFLSA-N 322.408 3.700 50 50 DHGA CC1CCC(=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2)CC1 4372724 UXRQHVGWSHHQEN-KIYNQFGBSA-N 308.809 3.790 50 50 DHGA N#C/C(=C/c1ccc(OCC(=O)O)cc1)c1ccc(Cl)cc1 16319718 NNFWYTVWYYTOFF-ZROIWOOFSA-N 313.740 3.868 50 50 DHGA CCOc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1 65229 UNPDUHLSVWZICK-WOJGMQOQSA-N 302.761 3.503 50 50 DHGA O=C(Cc1ccccc1)N/N=C/c1cc2ccccc2nc1Cl 274190 NGKKYRQBQLXXGI-UDWIEESQSA-N 323.783 3.581 50 50 DHGA COc1cccc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)c1OC 12341028 IDKCFDKAYWOVCP-GXDHUFHOSA-N 319.364 3.953 50 50 DHGA O=C(CCl)N[C@@H](c1ccc(F)c(C(F)(F)F)c1)C1CC1 1875367659 APVWXXSTYSNKLV-GFCCVEGCSA-N 309.690 3.651 50 50 DHGA C#CCOc1ccc(/C=C(/C#N)c2ccc(F)cc2)cc1OC 12364106 XCWCCVCRLHPMDN-WJDWOHSUSA-N 307.324 3.910 50 50 DHGA CC(=C/c1ccccc1)/C=N/NC(=O)COc1ccc(C)c(C)c1 43639803 VSNQGKRCRWWTAL-BOFCYTLRSA-N 322.408 3.888 50 50 DHGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1cccc(F)c1 298735 BWYSPOTUNIDDMX-QGMBQPNBSA-N 311.143 3.896 50 50 DHGA C/C(=N\NC(=O)c1ccc(Cl)c(Cl)c1)c1ccccn1 5009963 QDXMFCZLMYCHCL-GIJQJNRQSA-N 308.168 3.542 50 50 DHGA C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccc(F)cc1 12342888 SCXSRBFVQLHMBV-MTJSOVHGSA-N 322.339 3.839 50 50 DHGA Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@@H](C)Cl)cn2)c1 1875363616 MTVSZMWIEGUNFX-CYBMUJFWSA-N 318.804 3.734 50 50 DHGA [C-]#[N+][C@H](c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C)cc1 100058523 DUHMNGGUXBLMCW-HNNXBMFYSA-N 307.321 3.665 50 50 DHGA C[Si](C)(C)O[C@H]1CC2(SCCCS2)[C@H]2CC(=O)[C@H]1C2 169831188 TVSRKLQOGLLIAF-WZRBSPASSA-N 316.564 3.772 50 50 DHGA CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](CO)N(Cc2ccccc2)C1 196411536 NMJXKPOVBRWNHU-IRXDYDNUSA-N 321.537 3.644 50 50 DHGA Cn1cc([C@@H]2CCCN2CCO[Si](C)(C)C(C)(C)C)cn1 225676521 UNBYBHRRVRFRAJ-HNNXBMFYSA-N 309.530 3.579 50 50 DHGA Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2ccc2cccnc32)cc1 208780 ZWSCNYBAYYLQHG-KRWDZBQOSA-N 313.360 3.761 50 50 DHGA Cc1ccc(-c2cc(C(=O)N/N=C/c3sccc3C)[nH]n2)cc1 263766 SDEQSHCAHGXPJX-VCHYOVAHSA-N 324.409 3.519 50 50 DHGA CCOCN(C(=O)C(Cl)Cl)c1c(C)cccc1CC 2332879096 KLDPUQYAZJVQHE-UHFFFAOYSA-N 304.217 3.688 50 50 DHGA Cc1ccccc1C(=O)N[C@H](N=C=S)C(Cl)(Cl)Cl 3130896 PUJFIRXJLJPVCR-JTQLQIEISA-N 323.632 3.524 50 50 DHGA C1=CC1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101011210 KVDVSMYGODTNFE-UHFFFAOYSA-N 301.349 3.919 50 50 DHGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc2ccccc12 70987 FHUZCSSBSXJQNZ-GOSISDBHSA-N 316.360 3.655 50 50 DHGA C/C(=N/NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccc1Cl 4578343 YVGIIIAZUKNKCD-ALVQJFKWSA-N 312.800 3.984 50 50 DHGA C/C(=N\NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1ccccc1 9088823 IOIRWANXKDCQQN-XSFVSMFZSA-N 318.380 3.539 50 50 DHGA FC(F)(Cl)[C@@](F)(Cl)CCI 2584292 UKUOPLZDHNKUBO-GSVOUGTGSA-N 306.880 3.548 50 50 DHGA O=C(Cc1cccs1)N/N=C/c1ccc(Cl)c(Cl)c1 73085 QQYPSAKIQFCQSU-LZYBPNLTSA-N 313.209 3.748 50 50 DHGA Cc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(O)c(Cl)cc32)c1 22781308 ZNVSTVFHQHXITL-INIZCTEOSA-N 312.756 3.572 50 50 DHGA O=C(Cl)c1ccc(Br)c(F)c1Br 263625283 YIYBAVISOHKOSV-UHFFFAOYSA-N 316.351 3.730 50 50 DHGA CC(=C/c1ccccc1)/C=N/NC(=O)COc1ccc(C)cc1 33930672 PZMYCQOXVDGTTF-WGVPTNTPSA-N 308.381 3.579 50 50 DHGA N#CC1=C(SCc2ccccc2)NC(=O)C[C@H]1c1ccco1 8971641 OOEOTGJSEMNLPC-CYBMUJFWSA-N 310.378 3.552 50 50 DHGA CC(C)(C)c1coc(CN(C(=O)CCl)c2ccccc2)n1 1875381864 JXCXXXDFKAXWMQ-UHFFFAOYSA-N 306.793 3.744 50 50 DHGA Cc1cc(SC#N)c(C)cc1NS(=O)(=O)c1ccccc1 610636 XRWYSTAHNOKCQS-UHFFFAOYSA-N 318.423 3.677 50 50 DHGA O=C(NNc1nc(-c2ccc(F)cc2)cs1)c1ccccc1 1395224 HXIHZEQKVTVRKS-UHFFFAOYSA-N 313.357 3.706 50 50 DHGA CC(/C=C/c1ccccc1)=NNC(=O)c1ccc(Cl)cc1O 252320631 HBQVPJDCJDLBRZ-PSKDPTBFSA-N 314.772 3.865 50 50 DHGA Cc1cc(C(=O)N/N=C/c2c(Cl)cccc2Cl)c(C)o1 228284 OTVXEBNZBSJIRL-REZTVBANSA-N 311.168 3.967 50 50 DHGA O=C(Cc1cccs1)N/N=C/c1ccc(Cl)cc1Cl 72810 YECQEUFQWQJNBN-LZYBPNLTSA-N 313.209 3.748 50 50 DHGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cccc2ccccc12 301032 ZICUOXNFLKFXSL-XDHOZWIPSA-N 319.320 3.512 50 50 DHGA Cc1ccc(O)c(/C=N/NC(=O)Cc2cccc3ccccc23)c1 58986 QYXQKWHFWOBZBD-FYJGNVAPSA-N 318.376 3.547 50 50 DHGA O=C(CBr)c1cc2c(ccc3ccccc32)oc1=O 195516 ATGMCRFENOHNLE-UHFFFAOYSA-N 317.138 3.524 50 50 DHGA O=C(CBr)c1c(Cl)cccc1Br 238602335 FEXBBCJGHUYGHB-UHFFFAOYSA-N 312.388 3.680 50 50 DHGA Cc1ccc(/C=N/NC(=O)[C@@H](C)Nc2cccc3ccccc23)o1 234874 FOSQHQIAUHJGNS-MQMKENTISA-N 321.380 3.692 50 50 DHGA CCN(CC)c1ccc(/C=N/NC(=O)Nc2ccccc2)cc1 288207 QZDQIDWYIFEOFP-XMHGGMMESA-N 310.401 3.688 50 50 DHGA CCOc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)c1 370890 HCCRGSZIFYVUMT-WOJGMQOQSA-N 302.761 3.503 50 50 DHGA Cc1ccc2[nH]c(/C(C#N)=C\c3ccccc3OCC#N)nc2c1 4955530 DUFPYPDGLBEJIB-PTNGSMBKSA-N 314.348 3.838 50 50 DHGA C[C@@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C)[C@]1(O)C#N 239309624 HTJJHIYXGFLKJV-MKRDWBOCSA-N 306.409 3.599 50 50 DHGA C[C@@H]1CCc2sc(C(=O)N/N=C3/C[C@H]4C=CC[C@@H]34)cc2C1 253416204 XTXHHUMHWKPEHH-ONJGEEIPSA-N 300.427 3.555 50 50 DHGA O=C([C@@H](F)Cl)N1CCC[C@@H](c2nc3ccccc3s2)C1 1875328878 PUPDMSHAZOVXTH-BXKDBHETSA-N 312.797 3.537 50 50 DHGA C[C@H](NC(=O)/C(C#N)=C\c1ccc(F)c(F)c1)c1ccccc1 208865281 DEKZUDMUJHHKRI-ZENNRRHLSA-N 312.319 3.749 50 50 DHGA CC/C(=N\NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccccc1 5354101 LOAWALGWWMNHNW-QGOAFFKASA-N 324.409 3.682 50 50 DHGA Cc1ccc(/C=N/NC(=O)c2cc(C)nc3ccccc23)cc1 254135 DKUAEBURFXBACZ-UDWIEESQSA-N 303.365 3.616 50 50 DHGA O=C(N/N=C/c1cccc2cccnc12)c1ccc(Cl)cc1 434787 CFYWPUNLBVDNET-RGVLZGJSSA-N 309.756 3.652 50 50 DHGA Cc1ccc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)cc1 510696 OKXCEPCABBRLAA-CIAFOILYSA-N 324.424 3.956 50 50 DHGA CSC1=C(C#N)[C@H](c2ccc(Cl)cc2Cl)CC(=O)N1 9014293 OBBXPMNVXDMDSI-VIFPVBQESA-N 313.209 3.695 50 50 DHGA CCOC(=O)c1ccc(NC(=O)[C@@H](Cl)c2ccccc2)cc1 74941556 FDYLKGKFVPWBJE-HNNXBMFYSA-N 317.772 3.782 50 50 DHGA CSc1ccc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 4603496 FGXBXJVTQVQFDV-LJNFXEMMSA-N 310.422 3.662 50 50 DHGA N#C/C(=C\c1cc2sc(Br)cc2s1)C(=O)O 86012731 HCSMOQZFARKOTQ-ORCRQEGFSA-N 314.185 3.717 50 50 DHGA C/C(=N\NC(=O)c1ccco1)c1cc(Cl)sc1Cl 373123 KKDCZJUCXDSDBY-MKMNVTDBSA-N 303.170 3.802 50 50 DHGA CCCCCCC(=O)N/N=C/c1ccc(Br)cc1 2816633 JCDGTIMEMIHCRW-LFIBNONCSA-N 311.223 3.870 50 50 DHGA O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1ccncc1 231196 NDCMMVXKSMSDEZ-KGENOOAVSA-N 301.349 3.513 50 50 DHGA C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccccc1 286416 HDMUTDNVRIYTMV-HBBMIWKISA-N 318.376 3.757 50 50 DHGA Cc1ccc(O)c(/C=N/NC(=O)c2cccc3ccccc23)c1 15636156 VRGYFZAJIIKRTL-UDWIEESQSA-N 304.349 3.618 50 50 DHGA O=C(c1ccccc1)N(N=C(O)c1ccccc1)c1ccncc1 328599465 SGALOTFWRWJPBA-UHFFFAOYSA-N 317.348 3.648 50 50 DHGA C=CCNC(=O)/C(C#N)=C/c1cccc(Oc2ccccc2)c1 2507770 MLIRBDPMWMQKMW-FOWTUZBSSA-N 304.349 3.688 50 50 DHGA N#C/C(=C/c1cc([N+](=O)[O-])ccc1F)c1nc2ccccc2[nH]1 12341027 ARXFSECDKMXHTC-XFFZJAGNSA-N 308.272 3.674 50 50 DHGA CCCCCCC[C@H](O)CCC(=O)N/N=C/c1ccccc1 59706053 IDOXIXHGVVUGCO-BYFYWULKSA-N 304.434 3.638 50 50 DHGA COC(=O)N/N=C(/C)c1ccc(Sc2ccccc2)cc1 1383121 HMHNSYXVCASQHZ-ATVHPVEESA-N 300.383 3.918 50 50 DHGA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCl 1465754 XHFJPAMUWIGAKH-UHFFFAOYSA-N 323.801 3.769 50 50 DHGA COc1cc(/C=C(/C#N)C(=O)c2ccccc2)cc(OC)c1OC 14007583 UOUFHXICGIKHAK-DHDCSXOGSA-N 323.348 3.502 50 50 DHGA CC1=C(C#N)[C@H](c2ccc(O)cc2)C2=C(CC(C)(C)CC2=O)N1 100220483 BJSGTLXEBNYDQD-KRWDZBQOSA-N 308.381 3.520 50 50 DHGA N#CC1=C(N)Oc2ccc3ncccc3c2[C@H]1c1ccccc1F 214241 SPUMCZWWIDQDBV-KRWDZBQOSA-N 317.323 3.592 50 50 DHGA Cc1ccc(/C=N/NC(=O)COc2cc(C(C)C)ccc2C)cc1 5540020 YMHAWAQZQGZKIJ-CIAFOILYSA-N 324.424 3.956 50 50 DHGA O=C(Cc1ccccc1)N/N=C/[C@H]1C[C@H]2C[C@H]1C[C@H]2C(F)(F)F 229899759 JBSGHVMHMIFLDF-LWGYFXDWSA-N 324.346 3.556 50 50 DHGA N#CC(C#N)=Cc1ccc(Br)cc1C(F)(F)F 390822265 NPUXVKMMMBQCFG-UHFFFAOYSA-N 301.065 3.898 50 50 DHGA N#CC(C#N)=C(N)/C(C#N)=C(/C=C\c1ccc(Cl)cc1)C1CC1 111265144 RMTCPVKHROAILP-RHMAYXBSSA-N 320.783 3.843 50 50 DHGA CCCCOc1ccc(NC(=O)[C@@H](Br)CC)cc1 74941517 OSOIUAHRVNIZJD-ZDUSSCGKSA-N 314.223 3.978 50 50 DHGA COc1ccc(Cl)c2c1CCC[C@H]2N(C)C(=O)[C@H](C)Cl 1875380003 BWWYHUNNBYPMHN-JOYOIKCWSA-N 316.228 3.812 50 50 DHGA COc1ccccc1/C=N/NC(=O)c1ccc(C(C)(C)C)cc1 43360 QWEMBHPZDNRRJC-DEDYPNTBSA-N 310.397 3.757 50 50 DHGA COc1ccc(/C=C(/C#N)C(=O)c2ccccc2OC)c(OC)c1 207539083 KJBDYYPNVMXPKP-UVTDQMKNSA-N 323.348 3.502 50 50 DHGA O=C(CBr)c1cc2cc(Br)ccc2o1 4277337 CWMRSJWOSLJADM-UHFFFAOYSA-N 317.964 3.773 50 50 DHGA O=C(NNc1cccc(Cl)n1)c1ccc(Cl)cc1Cl 1395800 VACCZKJORKAJGP-UHFFFAOYSA-N 316.575 3.799 50 50 DHGA CO[C@@]1(C)Oc2ccc3ccccc3c2C[C@H]1Br 3132383 NGGSYMULDIETQY-CABCVRRESA-N 307.187 3.901 50 50 DHGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc(Cl)c1Cl 242019 HJCXOIUKLIUSSR-ZDUSSCGKSA-N 323.179 3.664 50 50 DHGA CCOC(=O)c1c(C(Cl)Cl)[nH]c2cc([N+](=O)[O-])ccc12 100438118 APGZLIBVOGDSCW-UHFFFAOYSA-N 317.128 3.729 50 50 DHGA N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 1079210 CLSYPNSWHXCQEC-LFYBBSHMSA-N 312.256 3.527 50 50 DHGA CCCSC1=C(C#N)[C@H](c2ccccc2Cl)CC(=O)N1 8973322 LCJLJAJPIBYDSQ-NSHDSACASA-N 306.818 3.822 50 50 DHGA CC(=NNC(=O)[C@H](C)Nc1cccc(Cl)c1)c1ccccc1 252515456 KFICZTQWLVQTRT-ZDUSSCGKSA-N 315.804 3.681 50 50 DHGA O=C(NNc1ccc(F)cc1)c1sccc1SC(F)F 730521406 FWXRHVYWZJTYTH-UHFFFAOYSA-N 318.345 3.959 50 50 DHGA O=C(CCl)N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 1875375044 OVUJCZIGNGPVGI-NWDGAFQWSA-N 305.727 3.697 50 50 DHGA C[C@H](NC(=O)[C@@H](C)Cl)c1ccc(C(F)(F)F)nc1Cl 1875377933 RNGBYUZJGXJTEF-RITPCOANSA-N 315.122 3.558 50 50 DHGA COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1 282129 HYLTZDUBCOLQBC-DEDYPNTBSA-N 304.349 3.612 50 50 DHGA CN(C)/C=C(/C#N)c1ccc(C(=O)c2ccc(F)cc2)s1 29763789 DQBAUZCXAARMQS-BENRWUELSA-N 300.358 3.544 50 50 DHGA CCOc1cccc(/C=N/NC(=O)c2csc(C)c2C)c1 2789019 QRWUAEFYBMOQAC-RQZCQDPDSA-N 302.399 3.528 50 50 DHGA Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(O)c2)cc1Cl 446133 CKBOXPCVTGIKFO-NTUHNPAUSA-N 312.756 3.900 50 50 DHGA CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](O)CN(Cc2ccccc2)C1 197321982 LPKCLOBPWVYSOV-DLBZAZTESA-N 321.537 3.644 50 50 DHGA N#C/C(=C\c1cccs1)S(=O)(=O)c1ccc(Cl)cc1 160877 ZYOKZRRZBHAMJD-MDWZMJQESA-N 309.799 3.740 50 50 DHGA CCCN(C(=O)[C@H](C)Cl)[C@H]1C[C@@H](OCC)C12CCCC2 1875364412 PEZAYTCHBPQJCO-MELADBBJSA-N 301.858 3.590 50 50 DHGA OB(O)c1ccc(-c2ccc(-c3ccccc3)cc2)c2ccccc12 211958426 WECICLPJSYRLPG-UHFFFAOYSA-N 324.188 3.854 50 50 DHGA CCOC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2)c1 2166405 KWSZCNMJXKZKTG-GZTJUZNOSA-N 307.349 3.736 50 50 DHGA O=C(N/N=C/c1cccc(-c2ccccc2)c1)c1ccccc1O 2854251 YCJFPHWBDWIPOX-KGENOOAVSA-N 316.360 3.823 50 50 DHGA CCCCCOc1cccc(/C=N/NC(=O)c2ccco2)c1 6398578 VDFKPYYOCZMEBE-QGOAFFKASA-N 300.358 3.613 50 50 DHGA C#CCOc1ccc(/C=C(/C#N)c2ccccc2F)cc1OC 16384022 UJMSALVZMWDURA-PTNGSMBKSA-N 307.324 3.910 50 50 DHGA CC(=O)Nc1ccc(NC(=O)[C@H](Cl)c2ccccc2)cc1 36720165 RQWCOPGHDNJOLW-OAHLLOKOSA-N 302.761 3.564 50 50 DHGA C/C(=N\NC(=O)COc1cccc(C)c1)c1ccc(Cl)cc1 433450 XQPBQSABSQQKDU-CPNJWEJPSA-N 316.788 3.568 50 50 DHGA COc1ccc(OC)c(NC(=O)[C@@H](Cl)c2ccccc2)c1 37009391 XVOKBXMPJBQZLS-HNNXBMFYSA-N 305.761 3.622 50 50 DHGA O=C1c2ccccc2C(=O)c2c(SBr)cccc21 101022519 XSQZEVDURZPZPA-UHFFFAOYSA-N 319.179 3.864 50 50 DHGA COc1ccc(Cl)c2c1CCC[C@H]2N(C)C(=O)[C@@H](C)Cl 1875380001 BWWYHUNNBYPMHN-BXKDBHETSA-N 316.228 3.812 50 50 DHGA O=C(CCCl)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 2025670 GIYKBULGXPUWED-UHFFFAOYSA-N 316.744 3.768 50 50 DHGA N#C/C(=C\c1ccc(-c2ccccc2Br)o1)C(=O)O 4541894 KKWLMZMWZIGOEK-VQHVLOKHSA-N 318.126 3.701 50 50 DHGA N#C/C(=C\c1sc2ccccc2c1Br)C(=O)O 4542672 AIBKOQHWEFZYET-FNORWQNLSA-N 308.156 3.655 50 50 DHGA N#C/C(=C/c1ccccc1[N+](=O)[O-])c1nc2c(s1)CCCC2 4749143 SNTHDRSKIGSULW-XFXZXTDPSA-N 311.366 3.994 50 50 DHGA C[C@]12CC3(CC(=O)O)CC([C@@H](Cl)C(=O)O)(C1)C[C@@](C)(C3)C2 19878569 JKZPRSYNGKECDY-AYXWMKARSA-N 314.809 3.520 50 50 DHGA Cl[C@H](CSc1nnnn1-c1ccccc1)c1ccccc1 189679 BNZHBFNNXJKLOL-CQSZACIVSA-N 316.817 3.735 50 50 DHGA Cc1ccsc1C(=O)N/N=C/c1cccc(Br)c1 370725 JMTXVOAWGQMBCM-OVCLIPMQSA-N 323.215 3.583 50 50 DHGA O=C(c1ccccc1)[C@H]1O[C@]1(CBr)c1ccccc1 1672806 PNXBIYWYSDILPG-HZPDHXFCSA-N 317.182 3.559 50 50 DHGA O=C(CN1CCCCCCC1)N/N=C/c1cccc2ccccc12 283443 DUQFMVRSMVAZOQ-RCCKNPSSSA-N 323.440 3.556 50 50 DHGA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccccc1 286420 HDMUTDNVRIYTMV-HFITWMCCSA-N 318.376 3.757 50 50 DHGA O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1cccc(F)c1 298796 BDUMCFDYFDEFNH-QGMBQPNBSA-N 311.143 3.896 50 50 DHGA CC(C)(C)OC(=O)N[C@@H](CBr)c1ccccc1 113475151 CISQKOWVTCOHDF-NSHDSACASA-N 300.196 3.647 50 50 DHGA CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(C)=O)=C(C)N1 179175 ROFRUSCQSUWSMA-HNNXBMFYSA-N 318.829 3.988 50 50 DHGA C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1c[nH]c2ccccc12 5093213 CYEUGSKYWPJIIH-FTCGGANRSA-N 307.397 3.770 50 50 DHGA O=C(CCCl)OCCCCCCOc1ccc(O)cc1 888088130 PVUNXERWJHZWMP-UHFFFAOYSA-N 300.782 3.504 50 50 DHGA COc1ccc(CC(=O)N/N=C/c2cccc3ccccc23)cc1 440401 CDEJYQGQRYCKPR-KGENOOAVSA-N 318.376 3.541 50 50 DHGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(Cl)c1Cl 242021 HJCXOIUKLIUSSR-CYBMUJFWSA-N 323.179 3.664 50 50 DHGA CC1=CC(=C(C#N)C#N)C=C(/C=C/c2ccc(N(C)C)cc2)O1 56915 YLYPIBBGWLKELC-RMKNXTFCSA-N 303.365 3.927 50 50 DHGA in-vitro C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cccs1 4587116 CGLSATDULSZFJC-WOJGMQOQSA-N 310.378 3.761 50 50 DHGA FC(F)(F)c1ccc(CBr)c(Br)n1 200162482 ZKRJSSJZOATYDT-UHFFFAOYSA-N 318.918 3.758 50 50 DHGA C=CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1 5092706 WKKODCRSWPJVAJ-PUTQOBSOSA-N 324.424 3.853 50 50 DHGA CCCCCCC[C@H](O)C[C@@H](CC1CCCCC1)C(=O)NN 8686274 NDZBJQPEBQEDNN-SJORKVTESA-N 312.498 3.674 50 50 DHGA COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(C)c1 15012331 IVMRILQIECNEKV-WJDWOHSUSA-N 306.365 3.858 50 50 DHGA Cc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)o1 4229775 DUZFUENNAVLZIL-UDWIEESQSA-N 321.380 3.759 50 50 DHGA Cn1cc([C@H]2c3ccccc3C(=O)N2CCCl)c2ccccc21 334163578 XPEBJNJEAMIDKG-GOSISDBHSA-N 324.811 3.962 50 50 DHGA CCCCCCCCC(=O)N/N=C/c1ccc(O)c(OCC)c1 2513502 HAYKDTQHPLVXSH-XMHGGMMESA-N 320.433 3.992 50 50 DHGA CN(C)[C@@H](CP(c1ccccc1)c1ccccc1)C1=CCC=C1 245189244 GKSKIEWHDLIJBU-NRFANRHFSA-N 321.404 3.936 50 50 DHGA Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@H](C)Cl)cn2)c1 1875363617 MTVSZMWIEGUNFX-ZDUSSCGKSA-N 318.804 3.734 50 50 DHGA COC(=O)C(Cl)(Cl)[C@H](Cl)C(Cl)=C(Cl)Cl 3074869 RNWNKCFGXZFLGW-GSVOUGTGSA-N 320.814 3.826 50 50 DHGA CC(/C=C/c1ccccc1)=N/NC(=O)CNc1ccccc1C 16667980 NTQXAFHZDAIPKI-ZUZQRIQNSA-N 307.397 3.612 50 50 DHGA CSC1=C(C#N)[C@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 20064727 PVZPWCWIMKDEEN-INIZCTEOSA-N 310.422 3.787 50 50 DHGA CCCOc1c(Br)cc(C(=O)Cl)cc1OC 40451478 PUORCHDPYWAFNL-UHFFFAOYSA-N 307.571 3.626 50 50 DHGA N#C/C(=C\c1ccc(-c2ccccc2C(F)(F)F)o1)C(=O)O 163292 IQIKUUDBQBZZDX-VQHVLOKHSA-N 307.227 3.957 50 50 DHGA COc1cccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1OC 3902136 OROCNULUNDKJNQ-JLHYYAGUSA-N 305.337 3.644 50 50 DHGA Cc1cc(Cl)ccc1NCC(=O)N/N=C1/CCCC[C@@H]1C 32496164 MTIDDJZDQHDDMH-HSHIVQNRSA-N 307.825 3.743 50 50 DHGA CCO[C@H](SC)P(=O)(c1ccccc1)c1ccccc1 335225 AGXKWWDTIOTTBX-INIZCTEOSA-N 306.367 3.684 50 50 DHGA O=C(CNc1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1 2744565 NNOSYICWQJFDLB-DJKKODMXSA-N 322.195 3.556 50 50 DHGA Cc1cc(OCCOCCBr)cc(C)c1Cl 2894475 RWKMPVSTLMLTKO-UHFFFAOYSA-N 307.615 3.747 50 50 DHGA O=C(N/N=C/c1ccco1)c1sc2ccccc2c1Cl 334705 HHZUKZZSKIPRFD-LZYBPNLTSA-N 304.758 3.912 50 50 DHGA C=CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 5092708 WKKODCRSWPJVAJ-FTCPRDFBSA-N 324.424 3.853 50 50 DHGA C/C(=N\NC(=O)c1cc(C2CC2)n[nH]1)c1ccc2ccccc2c1 229557 PAADXXCQDNMDOY-UDWIEESQSA-N 318.380 3.594 50 50 DHGA O=C(OC[C@@H]1[C@H]2CCC#CCC[C@H]21)Oc1ccc([N+](=O)[O-])cc1 109280652 QXNXOXMDBLHIDB-ZSHCYNCHSA-N 315.325 3.550 50 50 DHGA CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]23CC(=O)C[C@H]2[C@H]1C(=O)C3 169830717 KKCJWOVCBIGQDT-NZUILWFCSA-N 308.494 3.725 50 50 DHGA O=C1c2ccccc2[C@H](c2c[nH]c3ccccc23)N1CCCl 334162596 BSNOGDCBJSIVBR-QGZVFWFLSA-N 310.784 3.952 50 50 DHGA COc1cccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 100220471 JUEIAJWYHNTPIA-SFHVURJKSA-N 322.408 3.823 50 50 DHGA O=C(N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2)C12CC3CC(CC(C3)C1)C2 101623091 FPAPEQASBSKZKC-HFCICOMTSA-N 300.446 3.741 50 50 DHGA CC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95682172 JNNWBCPZJMSRRI-UHFFFAOYSA-N 319.364 3.570 50 50 DHGA in-vitro C/C(=N\NC(=O)c1[nH]nc(-c2ccccc2)c1C)c1cccs1 264675 ARZOGTGRCYWQNH-LDADJPATSA-N 324.409 3.601 50 50 DHGA CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 447646 XJHXURVYLFHGBK-QGMBQPNBSA-N 324.211 3.871 50 50 DHGA COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1ccccc1 301006 UWCGPLNEQXWFSL-GIJQJNRQSA-N 323.179 3.766 50 50 DHGA Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(C)c([N+](=O)[O-])c2)c1 5059232 DVZNUXMXTYTUFX-DHDCSXOGSA-N 321.336 3.757 50 50 DHGA COc1ccc(OC)c(NC(=O)[C@H](Cl)c2ccccc2)c1 37009390 XVOKBXMPJBQZLS-OAHLLOKOSA-N 305.761 3.622 50 50 DHGA COC(=O)c1c(NC(=O)CCl)sc(C)c1-c1ccccc1 1973701 FLVFFLMXZVLHSD-UHFFFAOYSA-N 323.801 3.687 50 50 DHGA CC(C)Cc1ccc([C@@H](C)C(=O)N/N=C/c2ccccc2O)cc1 295103 STOICWIMSJOAHB-NWGMWSOJSA-N 324.424 3.845 50 50 DHGA CO[C@@H]1CC[C@H]2CCN3CCC(CCl)=C(CCCl)[C@]23C1 254612598 SJVALRLGJXCADE-LZWOXQAQSA-N 318.288 3.814 50 50 DHGA C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(O)C#N 257356340 HMLYKJJOHHAVFP-QTCMIBMWSA-N 315.457 3.565 50 50 DHGA C/C(=N/NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1Cl 4712982 YVGIIIAZUKNKCD-USBBIDJBSA-N 312.800 3.984 50 50 DHGA CCOC(=O)/C(C#N)=C/Nc1ccc(Nc2ccccc2)cc1 14796341 MYMKKIRMVCFCHM-BUHFOSPRSA-N 307.353 3.813 50 50 DHGA CSC1=C(C#N)[C@@H](c2ccccc2C)C2=C(CCCC2=O)N1 458660 LESLKSMNCPULDI-MRXNPFEDSA-N 310.422 3.787 50 50 DHGA CC(C)(C)OC(=O)c1cc(F)c(CBr)c(F)c1 91691519 XAXWKQQZYBKNKD-UHFFFAOYSA-N 307.134 3.815 50 50 DHGA in-vitro COc1cccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 100220473 JUEIAJWYHNTPIA-GOSISDBHSA-N 322.408 3.823 50 50 DHGA Cc1cc([C@@H](C)N(Cc2c(C)noc2C)C(=O)CCl)c(C)o1 1875382589 ICGLLKJJTJASKW-LLVKDONJSA-N 324.808 3.830 50 50 DHGA Cc1ccccc1S(=O)(=O)C[C@H](SC#N)c1ccccc1 124747 VJANAANBOCSTIB-HNNXBMFYSA-N 317.435 3.724 50 50 DHGA C[C@@H](NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)c1ccccc1 265713 TVMSPDJUGJVUIH-COYFKBPASA-N 319.408 3.537 50 50 DHGA Cc1cc(C(=O)N/N=C/c2c(O)ccc3ccccc23)c(C)o1 381507 WHRJRHVUAZNXPC-VXLYETTFSA-N 308.337 3.519 50 50 DHGA COCCN(CCCl)C(c1ccccc1)c1ccccc1 96026345 NXTHGCJRKJOEMI-UHFFFAOYSA-N 303.833 3.963 50 50 DHGA N#CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95704789 QXTXVPBQJUGOFA-UHFFFAOYSA-N 302.337 3.504 50 50 DHGA in-vitro CCCCc1ccc(OCC(=O)N/N=C/c2ccccc2)cc1 2166319 JDYBFRPJWDHQCN-XSFVSMFZSA-N 310.397 3.558 50 50 DHGA COc1cc(C)cc2c(C)c([C@@H](C)NC(=O)[C@@H](C)Cl)oc12 1875364742 SEFSWGIAOFRMPK-GHMZBOCLSA-N 309.793 3.863 50 50 DHGA COc1cc(/C(C#N)=C\c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] 222054210 OOOJOTDIFMFMEV-SDQBBNPISA-N 316.263 3.946 50 50 DHGA CCCCCC(=O)N/N=C(/c1ccccc1)[C@@H](O)c1ccccc1 32492041 FCRJKCFCGVLVCD-UUZBPDLYSA-N 324.424 3.821 50 50 DHGA Cc1ccc2[nH]c(/C(C#N)=C/c3cc([N+](=O)[O-])ccc3O)nc2c1 19818200 IXSKSSFZUGEMIY-KPKJPENVSA-N 320.308 3.549 50 50 DHGA O=C1[C@@H](Cl)[C@H](CCl)CN1c1cccc(C(F)(F)F)c1 323060 OQZCSNDVOWYALR-XCBNKYQSSA-N 312.118 3.514 50 50 DHGA biogenic,in-vitro Cc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2ccc(C)s2)cc1 13321786 MFYYIBVMPOLLHA-GRSHGNNSSA-N 324.409 3.519 50 50 DHGA COc1cccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c1 298868 BRLZJVYJJVSGBR-GIJQJNRQSA-N 323.179 3.766 50 50 DHGA CC(=O)O[C@H]1C=C[C@]2(CCC[C@H]2O[Si](C)(C)C(C)(C)C)O1 169834340 WLFGAUIIUUXRDO-FMKPAKJESA-N 312.482 3.775 50 50 DHGA O=C(N/N=C\c1ccccc1)[C@]12[C@H]3CCC[C@@H]1[C@@]32c1ccccc1 245226669 HPYLMANWVPBFCV-KGIWEAJTSA-N 316.404 3.505 50 50 DHGA Fc1cc(CBr)c(F)c(Br)c1F 238585961 ZPRFYOQQRJZFTO-UHFFFAOYSA-N 303.903 3.761 50 50 DHGA CC(C)C[C@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@H](c1ccccc1)C2 179165 KBALFCXSMKSFRZ-GJZGRUSLSA-N 322.408 3.774 50 50 DHGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccccc1 286271 KKLMZHZTDNVOQT-UDWIEESQSA-N 310.397 3.648 50 50 DHGA Cc1cc(C)n(CCP(=O)(c2ccccc2)c2ccccc2)n1 348467 LBZFVJUWBVZBQQ-UHFFFAOYSA-N 324.364 3.514 50 50 DHGA O=C(CNc1cccc(Cl)c1)N/N=C/c1ccc(Cl)cc1 5671201 WIYBNAUNPMJNDY-DJKKODMXSA-N 322.195 3.556 50 50 DHGA O=C(N/N=C\c1ccccc1)c1cccc2c3c([nH]c12)CCCC3 32565761 DQUDKBMPPSWCDG-BKUYFWCQSA-N 317.392 3.811 50 50 DHGA Cc1ccc(F)c(-c2noc(NC(=O)[C@H](F)Cl)c2C)c1 2325901747 WGYBLJWCSMWNQU-NSHDSACASA-N 300.692 3.570 50 50 DHGA N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccc2ccccc2c1 242177 JZJOSVNTFVUQIV-LJQANCHMSA-N 313.360 3.640 50 50 DHGA FC(F)(Br)[C@](F)(Br)CCCl 63148364 PSZKHWSIFOQADS-VKHMYHEASA-N 304.331 3.664 50 50 DHGA in-vitro C[C@@H](Cl)C(=O)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F 74941411 UOKWUMNSZYQHQO-UWTATZPHSA-N 323.595 3.828 50 50 DHGA CC(C)(C)c1ccc(-c2cc(C(=O)NN)c3ccccc3n2)cc1 375828 CWMDJPHKLUJZFH-UHFFFAOYSA-N 319.408 3.803 50 50 DHGA CC/C(=N\NC(=O)c1ccco1)c1ccc(Br)cc1 25558399 IMJLLLIBIRIWCQ-FOWTUZBSSA-N 321.174 3.586 50 50 DHGA COc1cccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c1F 195501973 AMCOXPZTDHPKAO-XDUBLRSXSA-N 324.355 3.619 50 50 DHGA C[C@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C)[C@]1(O)C#N 239309626 HTJJHIYXGFLKJV-XUSRQMHBSA-N 306.409 3.599 50 50 DHGA CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@@H](C)C2)c1C 212496097 NZBCNUOZZYUSBU-XWAFYUISSA-N 313.445 3.680 50 50 DHGA Cc1ccccc1/C=N/NC(=O)[C@H](C)Nc1cccc(Cl)c1 126344 PMUDTSMGEBMGRG-MDBUFAAASA-N 315.804 3.599 50 50 DHGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(F)cc1 273671 QGQWDKNUYHKGDD-QGMBQPNBSA-N 311.143 3.896 50 50 DHGA Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)s1 43747 IKCBGWDWSMMEIU-CQSZACIVSA-N 314.410 3.507 50 50 DHGA CC(C)(C)C1CCC(=C(C#N)C(=O)NCc2ccco2)CC1 6563300 OGJFDNFBKUPWQS-UHFFFAOYSA-N 300.402 3.952 50 50 DHGA CCc1ccc(/C=N/NC(=O)c2c(O)ccc3ccccc23)s1 13321957 UBJGZCHZZFKLKF-YBFXNURJSA-N 324.405 3.933 50 50 DHGA C[C@@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)N(C)C 100032643 VJYQTMNDWOEPIV-KRWDZBQOSA-N 320.396 3.802 50 50 DHGA O=C(N/N=C\[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(Br)c1 101629422 UBEXTSHPEBUROO-BLNMYVOZSA-N 321.218 3.601 50 50 DHGA Cc1ccccc1Oc1cccc(C(=O)/C(C#N)=C/N(C)C)c1 4105330 VETSHPUOITZYGZ-DTQAZKPQSA-N 306.365 3.939 50 50 DHGA Cc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)o1 111988 UVWLNOVREMUAPA-RIYZIHGNSA-N 307.758 3.580 50 50 DHGA C/C(=N\NC(=O)c1cc(Cl)ccc1Cl)c1ccccn1 8408859 PMRQSQBLLLVPIA-GIJQJNRQSA-N 308.168 3.542 50 50 DHGA CC[C@@H]1[C@@H]2C[C@@H](C(C)(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N 19853015 PJOLEJUYCOOOJH-JGGQBBKZSA-N 308.429 3.795 50 50 DHGA N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1ccc(F)cc1 445296 JPNBBKOBVSIEOD-FMIVXFBMSA-N 305.312 3.853 50 50 DHGA CCc1cc(Br)c(N=C=O)c(Br)c1 2168251 ZUGFMSUPRVJBHD-UHFFFAOYSA-N 304.969 3.741 50 50 DHGA CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(C)=O)=C(C)N1 179177 ROFRUSCQSUWSMA-OAHLLOKOSA-N 318.829 3.988 50 50 DHGA COc1ccc(C=C(C#N)C#N)c(CSc2ccccn2)c1 441060 KNXILUICPKDVBI-UHFFFAOYSA-N 307.378 3.813 50 50 DHGA COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1O 15219382 CHERNCCSSXCHHI-DHDCSXOGSA-N 322.364 3.563 50 50 DHGA COc1ccc(C(=O)N/N=C(/C)c2ccc(Cl)cc2)cc1 4992211 ZJAYRHYJDAXJLC-WQRHYEAKSA-N 302.761 3.503 50 50 DHGA Cc1cccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 948217 ARBOXZBHRBZDTF-MHWRWJLKSA-N 317.797 3.987 50 50 DHGA COc1ccc(Cl)cc1NC(=O)NN(C)c1ccccc1 3086044 UXGPERSJETVBDG-UHFFFAOYSA-N 305.765 3.522 50 50 DHGA CSc1ccc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 4603494 FGXBXJVTQVQFDV-JQXMUZPYSA-N 310.422 3.662 50 50 DHGA C[C@@H](c1nccs1)N(C(=O)CCl)[C@@H]1CCCC[C@H]1C 1875369806 JKCGQHARFVFGGI-GRYCIOLGSA-N 300.855 3.850 50 50 DHGA CCCN(CCC)c1ccc(/C=N/NC(=O)c2ccco2)cc1 4982401 AIASUMBSSOOSMH-XMHGGMMESA-N 313.401 3.670 50 50 DHGA C[C@H](Cl)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 1875364044 ATHYVRLOTGIMBF-TVQRCGJNSA-N 311.859 3.911 50 50 DHGA C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc(C)o1 5020763 PLXIHRLPOBYJTH-XDHOZWIPSA-N 308.337 3.601 50 50 DHGA C[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)c(F)c1)c1ccccc1 208865320 DEKZUDMUJHHKRI-CDCQXCROSA-N 312.319 3.749 50 50 DHGA O=C(NNc1cc(Cl)ccc1Cl)c1cccnc1Cl 1397089 RZGHIZHJFLSTIC-UHFFFAOYSA-N 316.575 3.799 50 50 DHGA Cn1cc([C@@H]2c3ccccc3C(=O)N2CCCl)c2ccccc21 334163579 XPEBJNJEAMIDKG-SFHVURJKSA-N 324.811 3.962 50 50 DHGA Cc1ccc(F)c(-c2noc(NC(=O)[C@@H](F)Cl)c2C)c1 2325901746 WGYBLJWCSMWNQU-LLVKDONJSA-N 300.692 3.570 50 50 DHGA O=C(c1cc2ccccc2o1)C(Br)Br 101361912 CCOFPSORMZRGGI-UHFFFAOYSA-N 317.964 3.731 50 50 DHGA Cc1ccccc1C(=O)N[C@@H](N=C=S)C(Cl)(Cl)Cl 3130897 PUJFIRXJLJPVCR-SNVBAGLBSA-N 323.632 3.524 50 50 DHGA Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(C)c([N+](=O)[O-])c1 4722905 WMOBUXSCAGXYEP-DHDCSXOGSA-N 321.336 3.757 50 50 DHGA C[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C)C1(O)C#N 226859463 HTJJHIYXGFLKJV-OHDICMOHSA-N 306.409 3.599 50 50 DHGA COC(=O)N/N=C\c1c(C)n(Cc2ccccc2)c2ccccc12 5093662 SMUNOQDXNSOEFD-NDENLUEZSA-N 321.380 3.688 50 50 DHGA O=C(Cl)c1cc(Br)cc(F)c1Br 263625254 YBWFKLBTTYBRHL-UHFFFAOYSA-N 316.351 3.730 50 50 DHGA Cc1ccc2[nH]c(/C(C#N)=C\c3cc(O)ccc3[N+](=O)[O-])nc2c1 13124668 KXNOXTRQIHXVIM-GHXNOFRVSA-N 320.308 3.549 50 50 DHGA Cc1cccc(OCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)c1 431821 LUBGXVMAKSGNSK-FYJGNVAPSA-N 324.424 3.822 50 50 DHGA CC(C)Sc1cccc(Cl)c1/C=C(\C#N)S(C)(=O)=O 188043874 QOHYSAQBAKIDTJ-JXMROGBWSA-N 315.847 3.750 50 50 DHGA O=C(NN=C1c2ccccc2-c2ccccc21)c1ccc(F)cc1 295673 BFPAYHGJMMUBSL-UHFFFAOYSA-N 316.335 3.989 50 50 DHGA N#C/C(=C/c1cn(CC(=O)O)c2ccccc12)c1ccc(F)cc1 12513605 ORIZKFCUDIZTKN-ZROIWOOFSA-N 320.323 3.929 50 50 DHGA BrCc1cc(-c2ccc(Br)cc2)no1 35323281 SLWCENOBHUXOFJ-UHFFFAOYSA-N 316.980 3.999 50 50 DHGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(C)cc2)cc1 2080950 CIDDINLBXWCWJS-KGENOOAVSA-N 324.424 3.867 50 50 DHGA C/C(=N\NC(=O)NCc1ccco1)C12CC3CC(CC(C3)C1)C2 222150300 PVNUINGDWDOGMI-UDWIEESQSA-N 315.417 3.671 50 50 DHGA N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)O 265440 NHYUFYMBMLDYOH-JXMROGBWSA-N 307.227 3.957 50 50 DHGA C/C(=N\NC(=O)c1ccccc1Br)c1ccccc1 5170558 JKRMCSWRLIHPSK-GZTJUZNOSA-N 317.186 3.603 50 50 DHGA C[C@@H](Cl)C(=O)N1CCc2sccc2[C@H]1c1cccs1 1875364041 ATHYVRLOTGIMBF-RNCFNFMXSA-N 311.859 3.911 50 50 DHGA Cc1[nH]c2ccccc2c1/C=C(\C#N)S(=O)(=O)c1ccccc1 574656 YGWWFNDKDCPNLQ-RVDMUPIBSA-N 322.389 3.815 50 50 DHGA CC(C)Oc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)cc1 6389275 BVMIQWBQXRXOKX-SRZZPIQSSA-N 321.380 3.719 50 50 DHGA CCCN1CCC(=NNC(=O)c2ccc(C(C)(C)C)cc2)CC1 368595 SRLGMHNEHLORMC-UHFFFAOYSA-N 315.461 3.576 50 50 DHGA FC(F)(F)[C@H](Br)[C@@H](Br)C(F)(F)F 95707797 CLDAABVXWZWULA-JCYAYHJZSA-N 323.856 3.638 50 50 DHGA Cc1ccsc1/C=N/NC(=O)c1ccc2ccccc2c1O 507515 GMQSESKKOCNJJT-VCHYOVAHSA-N 310.378 3.679 50 50 DHGA COc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(OC)c1 16384038 UMIMNWDYHFLCME-ZSOIEALJSA-N 310.309 3.676 50 50 DHGA COC(=O)/C(C#N)=C/c1sc2ccccc2c1Br 4542665 KVDIRDDDTPQAJR-SOFGYWHQSA-N 322.183 3.744 50 50 DHGA COc1cc(Br)c(O[Si](C)(C)C)cc1OC 585662294 SDYUNRUWGJADII-UHFFFAOYSA-N 305.244 3.680 50 50 DHGA in-vitro COc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(C)c1 297608 PWNAKEHVCDNBPY-FYJGNVAPSA-N 318.376 3.921 50 50 DHGA C/C(=N\NC(=O)COc1ccc(Cl)cc1C)c1cccs1 289071 FWEIGQOASFNKGQ-GZTJUZNOSA-N 322.817 3.629 50 50 DHGA COc1ccc2[nH]cc(/C=C(/C#N)C(=O)c3ccccc3)c2c1 4089616 CJNMFTWPZRCVKD-ZROIWOOFSA-N 302.333 3.966 50 50 DHGA Cc1cccc(C(=O)N/N=C/c2cc3ccccc3nc2Cl)c1 4210482 FANQGYJBIBRNBB-RGVLZGJSSA-N 323.783 3.961 50 50 DHGA C/C(=N\NC(=O)c1ccc(-n2cccc2)cc1)c1ccc(C)o1 20407254 OKWNQKPDDOKEAA-XMHGGMMESA-N 307.353 3.533 50 50 DHGA CSc1ccc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 65064 FGXBXJVTQVQFDV-AKLVUOHOSA-N 310.422 3.662 50 50 DHGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc2ccccc2c1 241970 DTBBDSJZFVDPKY-SFHVURJKSA-N 316.360 3.655 50 50 DHGA Cc1ccc(/C=N/NC(=O)c2csc3c2CC[C@@H](C)C3)o1 2754900 KMEYQSZIDUGPGN-UWOUAGFBSA-N 302.399 3.538 50 50 DHGA CC(/C=C/c1ccccc1)=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1 12343096 OFFPXSVZSZHNOC-ZUYHCCDTSA-N 304.393 3.996 50 50 DHGA N#CC(C#N)=Cc1cccn1-c1ccc(OC(F)(F)F)cc1 112698 HVFYUNCIDUUQGM-UHFFFAOYSA-N 303.243 3.806 50 50 DHGA C/C(=N\NC(=O)c1cccc(Br)c1)c1ccccc1 5289245 HTMZNLXMBDNKDX-GZTJUZNOSA-N 317.186 3.603 50 50 DHGA C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C#N 253497466 JYCSLUASXDFIEL-RFVXBFLTSA-N 313.441 3.773 50 50 DHGA O=C(OC[C@H]1[C@H]2CCC#CCC[C@H]21)Oc1ccc([N+](=O)[O-])cc1 107733535 QXNXOXMDBLHIDB-MUJYYYPQSA-N 315.325 3.550 50 50 DHGA Cc1cc(C)c(/C=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)c(C)c1 4956722 TUMNOEMGWXWTOM-KQWOTGNYSA-N 306.409 3.866 50 50 DHGA O=C(CCl)N1N=C(c2cccs2)C[C@H]1c1ccccc1 45067763 LGVUILPBOUPKCP-ZDUSSCGKSA-N 304.802 3.665 50 50 DHGA CC1(C)C[C@H](N(Cc2ccccc2)C(=O)CCl)C(C)(C)O1 1875378149 WKJNLPAOFLNMHR-AWEZNQCLSA-N 309.837 3.600 50 50 DHGA O=C(Cl)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 2170130 NEJFCXJQJOAJMO-UHFFFAOYSA-N 309.074 3.924 50 50 DHGA C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)cc1 4990054 SDNIHRGFMCWOQO-RGVLZGJSSA-N 311.772 3.975 50 50 DHGA CC1CCC(=NNC(=O)COc2cccc3ccccc23)CC1 260155 NVUVYWXJTZFCGI-UHFFFAOYSA-N 310.397 3.901 50 50 DHGA O=C(Cc1cccs1)N/N=C/c1c(Cl)cccc1Cl 73046 ZDCSAADEAJUMOD-LZYBPNLTSA-N 313.209 3.748 50 50 DHGA COc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 113680 XEVSSRHFYMFBMQ-DEDYPNTBSA-N 310.397 3.757 50 50 DHGA CCOC(=O)c1ccc(Br)cc1CBr 140788134 UIPATZMBJAPJJG-UHFFFAOYSA-N 321.996 3.521 50 50 DHGA N#CC(C#N)=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 2504497 GQVFTXLMCHBYEH-UHFFFAOYSA-N 305.293 3.604 50 50 DHGA CCOC(=O)/C(C#N)=C\C=C1/C=Cc2cc(C)ccc2N1CC 5568506 AKBYLOOKCWYFDN-PBEWAIJRSA-N 308.381 3.745 50 50 DHGA CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)cc2)c1C 442050 ZFIPWRHQRCYTTI-GZTJUZNOSA-N 308.381 3.873 50 50 DHGA CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1O 12367913 NZVYEVAJGDWOBV-ZROIWOOFSA-N 310.309 3.763 50 50 DHGA CC(C)(C)[Si](C)(C)OCc1cc2ncc(C#CCO)cc2o1 169794227 GIWKEKOJWWACNO-UHFFFAOYSA-N 317.461 3.693 50 50 DHGA in-vitro COc1ccc(OCCCBr)c(Br)c1 1578065 UYGHFQDXVOHZPH-UHFFFAOYSA-N 324.012 3.622 50 50 DHGA CC[C@H](Br)C(=O)Nc1ccccc1Br 61487405 ISNSEOMVZCVSMG-ZETCQYMHSA-N 321.012 3.561 50 50 DHGA C=CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 78206068 UXGFQAGHVSELFC-UHFFFAOYSA-N 304.373 3.899 50 50 DHGA in-vitro C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(C)cc1C 437119 KVMRRTVQBZHYKD-FYJGNVAPSA-N 322.408 3.561 50 50 DHGA O=C(c1ccccc1)[C@H](Cl)[C@H](Cl)C(=O)c1ccccc1 1685449 GRZPRSBXKCWANP-OKILXGFUSA-N 307.176 3.967 50 50 DHGA O=C(N/N=C/c1cc2ccccc2nc1Cl)C1CCCCC1 2521868 WFXUUPLFFBUFMV-YBFXNURJSA-N 315.804 3.919 50 50 DHGA C[C@H](Cl)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)nc1Cl 1875377934 RNGBYUZJGXJTEF-WDSKDSINSA-N 315.122 3.558 50 50 DHGA CC(/C=C/c1ccccc1)=N\NC(=O)COc1ccc(C)cc1 4372622 DHXMLJLLHUYGPY-CMHBETPVSA-N 308.381 3.579 50 50 DHGA CC(C)c1ccc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)cc1 43761345 MFSGLFMRGOFHBJ-WSDLNYQXSA-N 319.408 3.984 50 50 DHGA COC(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1395138 SRLPXQKCKPQIOG-VCHYOVAHSA-N 306.406 3.677 50 50 DHGA Cc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)c1 42434 QJYWIBUTNJLBLT-QGZVFWFLSA-N 322.408 3.754 50 50 DHGA CCCc1cc(C(=O)N/N=C/c2ccc(C)o2)c2ccccc2n1 372537 MIGGHAVVICNIJH-UDWIEESQSA-N 321.380 3.853 50 50 DHGA O=C(COc1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 580623 HOSPEQYPQQHPSW-GIJQJNRQSA-N 323.179 3.523 50 50 DHGA O=C(CCl)N[C@@H]1CCCc2nc(-c3ccccc3)sc21 1875364278 KLAANIXEABIPBF-LLVKDONJSA-N 306.818 3.543 50 50 DHGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1[C@H]1CC=CCC1 6648830 MCVNJOHMZSRDEC-WFASDCNBSA-N 318.380 3.603 50 50 DHGA CC1=C(C#N)[C@@H](c2cccc(O)c2)C2=C(CC(C)(C)CC2=O)N1 100090099 QRKCFEJZUBAHNX-QGZVFWFLSA-N 308.381 3.520 50 50 DHGA CCSC1=C(C#N)[C@@H](c2cccc3ccccc23)CC(=O)N1 188449 BLBMLKJKTCIPQV-OAHLLOKOSA-N 308.406 3.932 50 50 DHGA CC(/C=N\NC(=O)c1cc(C(C)(C)C)n[nH]1)=C\c1ccccc1 30742769 DATZHFQKNWHHLA-ZTGHOBAFSA-N 310.401 3.526 50 50 DHGA O=C(Cc1ccccc1)N/N=C/[C@H]1C[C@H]2C[C@H]1C[C@@H]2C(F)(F)F 229899765 JBSGHVMHMIFLDF-SANVOIQDSA-N 324.346 3.556 50 50 DHGA O=C(CBr)c1cc(-c2ccc(Cl)cc2)no1 4042103 OUHGJKFYGYXITB-UHFFFAOYSA-N 300.539 3.573 50 50 DHGA in-vitro CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)CC(=O)N1 9014295 OBBXPMNVXDMDSI-SECBINFHSA-N 313.209 3.695 50 50 DHGA COc1ccc(Cl)cc1/C=C/C(=O)NNc1ccccc1F 152950827 OWCUZEOAIVRIJJ-RMKNXTFCSA-N 320.751 3.644 50 50 DHGA Cc1scc(C(=O)N/N=C/c2ccc(OC(C)C)cc2)c1C 372686 XJZLBSWSBDZABR-GIJQJNRQSA-N 316.426 3.916 50 50 DHGA COC(=O)c1ccc(/C(C#N)=C/c2ccc(Cl)cc2)n1C 4039686 AEEMDOIGPLCIEP-FMIVXFBMSA-N 300.745 3.529 50 50 DHGA CC/C(=N/NC(=O)Nc1c(C)cccc1C)c1ccc(O)cc1 4991970 OILKCAHNYPVVSL-SILNSSARSA-N 311.385 3.945 50 50 DHGA O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(N=C=S)cc1 19737307 NKHRHRCJMUYSHQ-UHFFFAOYSA-N 324.814 3.875 50 50 DHGA Cc1ccc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)s1 19732984 LQEJIBRSVQNUMB-CJNGLKHVSA-N 320.421 3.650 50 50 DHGA CC1=C(C#N)[C@H](c2nc(C)cs2)C2=C(CC(C)(C)CC2=O)N1 25695146 UHQUVSKMHCZTKN-AWEZNQCLSA-N 313.426 3.579 50 50 DHGA CC1CCN(/C(N)=C(\C#N)c2nc(-c3ccccc3)cs2)CC1 221914767 IMZUZTJYFFXXGR-BMRADRMJSA-N 324.453 3.693 50 50 DHGA CCCCc1c(-c2ccccc2)[nH]c2c(C(=O)NN)cccc12 23549884 VMXJWIPBUTWYOA-UHFFFAOYSA-N 307.397 3.781 50 50 DHGA O=C(CBr)c1ccc(Cl)c(C(F)(F)F)c1 16159771 MBXJRMPJQITKRE-UHFFFAOYSA-N 301.489 3.936 50 50 DHGA in-vitro CC(C)(C)OC(=O)N1CCC2(CC1)CC(Br)C2 118684063 GACABBWTCSUAEK-UHFFFAOYSA-N 304.228 3.561 50 50 DHGA COc1cc(/C=C(\C#N)C(=O)c2ccccc2)cc(OC)c1OC 4591119 UOUFHXICGIKHAK-OQLLNIDSSA-N 323.348 3.502 50 50 DHGA Cc1ccc(/C=N/NC(=O)[C@@H](C)Oc2cccc3ccccc23)o1 438740 CSKMXRSMBUSJBD-MQMKENTISA-N 322.364 3.659 50 50 DHGA O=C(/C=C/c1cnc2ccccc2c1)NNc1ccccc1F 4052094 GOUVVSCRQDCQBO-MDZDMXLPSA-N 307.328 3.530 50 50 DHGA O=C(Cc1ccccc1)N/N=C/[C@@H]1C[C@H]2C[C@H]1C[C@H]2C(F)(F)F 252320655 JBSGHVMHMIFLDF-KGUPJHONSA-N 324.346 3.556 50 50 DHGA Cc1ccc(-c2cc3nc(C(Cl)Cl)nc(C)n3n2)cc1 1775975749 KYJWQVKZJBYNSC-UHFFFAOYSA-N 307.184 3.884 50 50 DHGA Cc1ccccc1NCC(=O)N/N=C\c1ccc2ccccc2c1 32603764 YJCYRXDHHNTWHX-XKZIYDEJSA-N 317.392 3.710 50 50 DHGA ClCCCOc1ccc(CN2CC[C@H]3OCCC[C@@H]3C2)cc1 252488011 IGXFHPWGPDGQLQ-SJLPKXTDSA-N 323.864 3.695 50 50 DHGA CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1O 70503 NZVYEVAJGDWOBV-NTEUORMPSA-N 310.309 3.763 50 50 DHGA CC(C)(C)[Si](C)(C)OCCNC(=O)OCc1ccccc1 169996569 FKRGMDOXLFYNEH-UHFFFAOYSA-N 309.482 3.935 50 50 DHGA in-vitro C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(O)C#N 253500220 ZSLQYHSFAKCANK-XUFBONQXSA-N 311.425 3.549 50 50 DHGA biogenic COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CCl 2584858 FBGRLHHCTXFOQP-UHFFFAOYSA-N 323.801 3.687 50 50 DHGA CC[C@@]1(CBr)[C@H]2CC[C@@]1(C)C(=O)[C@H]2Br 254467436 NKQQZBRYEZCKIP-MPKXCIJOSA-N 324.056 3.540 50 50 DHGA N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)C(N)=S 2884875 LGPCAYTVOHUIQT-ZROIWOOFSA-N 312.369 3.598 50 50 DHGA O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)[C@@H](F)Cl 2325898301 ZXYLVFNORYCELP-GFCCVEGCSA-N 316.666 3.625 50 50 DHGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1c(Cl)cccc1Cl 289866 LOENFOFWLLFAIZ-CYBMUJFWSA-N 323.179 3.664 50 50 DHGA O=C(CCl)N1N=C(c2cccs2)C[C@@H]1c1ccccc1 45067766 LGVUILPBOUPKCP-CYBMUJFWSA-N 304.802 3.665 50 50 DHGA C/C(=N/NC(=O)c1ccc(O)cc1)c1ccc2ccccc2c1 4964013 SUOZINILCYZYNC-MOSHPQCFSA-N 304.349 3.699 50 50 DHGA ClCCOc1c(Br)cccc1Br 19721890 ZQAOIFYSBQZPRD-UHFFFAOYSA-N 314.404 3.829 50 50 DHGA CC(/C=C/c1ccccc1)=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1 12343097 OFFPXSVZSZHNOC-XSRFIXTBSA-N 304.393 3.996 50 50 DHGA CCc1cc(C(=O)N/N=C/c2ccccc2)c2ccccc2n1 259318 GDYXARJKVBTASW-DEDYPNTBSA-N 303.365 3.561 50 50 DHGA O=C(CCl)N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 1875375046 OVUJCZIGNGPVGI-VXGBXAGGSA-N 305.727 3.697 50 50 DHGA CCCN(C(=O)[C@H](C)Cl)[C@H]1C[C@H](OCC)C12CCCC2 1875364390 PEZAYTCHBPQJCO-IHRRRGAJSA-N 301.858 3.590 50 50 DHGA CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1 231688 GJNNXAMSBRLSMR-WOJGMQOQSA-N 302.761 3.503 50 50 DHGA O=C(CBr)c1cc(C(F)(F)F)ccc1Cl 16125730 YVTHTWZIUKRHCF-UHFFFAOYSA-N 301.489 3.936 50 50 DHGA Cc1ccc(/C=N/NC(=O)COc2cccc3ccccc23)cc1 580466 DIVLRKCBHPVYKA-FYJGNVAPSA-N 318.376 3.677 50 50 DHGA COC(=O)c1scc(C)c1NC(=O)[C@H](Cl)c1ccccc1 4104985 KTWNXBMWQHXXHH-LLVKDONJSA-N 323.801 3.762 50 50 DHGA FC(F)(Br)[C@@](F)(Br)CCCl 2243100 PSZKHWSIFOQADS-GSVOUGTGSA-N 304.331 3.664 50 50 DHGA biogenic,in-vitro Cc1ccc(NCC(=O)N/N=C\c2ccc(C(C)(C)C)cc2)cc1 32593023 MHNAEANQXPNPPZ-XKZIYDEJSA-N 323.440 3.855 50 50 DHGA Cc1cc(NCCCl)c2c3c(onc13)-c1ccccc1C2=O 2280951 XOXFGCNZSBLACE-UHFFFAOYSA-N 312.756 3.998 50 50 DHGA CNC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 277576 USFATLLHWITSBN-RMKNXTFCSA-N 321.163 3.906 50 50 DHGA CCc1ccc(OCC(=O)N/N=C(C)\C=C\c2ccccc2)cc1 4956143 ZWUVJXOFLGBKBM-WRGBHLIFSA-N 322.408 3.833 50 50 DHGA O=C(Cl)c1cc(Br)c(F)cc1Br 263625097 WSOIFLUVFSJWHP-UHFFFAOYSA-N 316.351 3.730 50 50 DHGA CC(C)(C)c1ccc(/C=C(\C#N)C(=O)NCc2cccnc2)cc1 289194 XCCVPAMDPIJGEX-GZTJUZNOSA-N 319.408 3.602 50 50 DHGA O=C(NN=C1CCC(c2ccccc2)CC1)c1ccc(O)cc1 5007863 VQWJEQJNSWJPBH-UHFFFAOYSA-N 308.381 3.836 50 50 DHGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cccc(Cl)c1 256945 JAGDUVAYGQPREE-RGVLZGJSSA-N 324.767 3.963 50 50 DHGA N#C/C(=C\c1ccc(I)o1)c1ccccc1 448663 ITPFQFFFVZIRFP-DHZHZOJOSA-N 321.117 3.948 50 50 DHGA CC1=C(C#N)C(=C(C#N)C#N)O[C@]1(c1ccccc1)C(F)(F)F 73159047 HALXLBYMOUPGRG-OAHLLOKOSA-N 315.254 3.616 50 50 DHGA O=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccc(Cl)cc1 258255 AJXLKQWORBGBEG-KEBDBYFISA-N 311.772 3.514 50 50 DHGA C/C(=N\NC(=O)COc1ccccc1Cl)c1ccc(C)cc1 5277262 HDTLQHWESSLERJ-CPNJWEJPSA-N 316.788 3.568 50 50 DHGA O=C(COc1ccc(Cl)cc1Cl)NN=C1CCCCC1 112889 YHSJLBYTORTYSJ-UHFFFAOYSA-N 315.200 3.809 50 50 DHGA CC[C@@H](Br)C(=O)Nc1ccccc1C(F)(F)F 266454 WXSHRCARXLHQGZ-MRVPVSSYSA-N 310.113 3.817 50 50 DHGA C/C(=N\NC(=O)c1cccc(F)c1)c1ccc2ccccc2c1O 4992174 OIGMZGDXWIXLCA-CIAFOILYSA-N 322.339 3.839 50 50 DHGA N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccncc1 179513031 BKYYJSCMDKIPMU-YRNVUSSQSA-N 318.163 3.934 50 50 DHGA Cc1cc(C(=O)N/N=C/c2ccccc2Cl)c2ccccc2n1 253914 LTWFXEAGDJSBRB-RGVLZGJSSA-N 323.783 3.961 50 50 DHGA O=C1[C@H](Cl)[C@H](CCl)CN1c1cccc(C(F)(F)F)c1 323057 OQZCSNDVOWYALR-GMSGAONNSA-N 312.118 3.514 50 50 DHGA biogenic,in-vitro CCn1cc(C(=O)NN=C2CCC(C(C)(C)CC)CC2)cn1 6396697 XLEFLSJJKVQTHM-UHFFFAOYSA-N 304.438 3.615 50 50 DHGA CCOc1cc(/C=N/NC(=O)C2CCCC2)ccc1OC(C)C 15934480 HZMARIFETGHARH-XDHOZWIPSA-N 318.417 3.513 50 50 DHGA O=C(CBr)c1cc(Cl)ccc1Br 199751670 QYCKDSADJBHHTL-UHFFFAOYSA-N 312.388 3.680 50 50 DHGA Cc1c(NC(=O)[C@H](C)Br)cccc1C(F)(F)F 689524158 LALZJHWSOXHURF-ZETCQYMHSA-N 310.113 3.736 50 50 DHGA Cc1cncc(N(Cc2ccc(F)cc2)C(=O)[C@@H](C)Cl)c1 1875376192 OPSKGBXKIIRNAK-GFCCVEGCSA-N 306.768 3.690 50 50 DHGA CC[C@]1(CBr)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2Br 100699315 NKQQZBRYEZCKIP-OEIWMXHLSA-N 324.056 3.540 50 50 DHGA O=C(N/N=C\[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(Br)c1 101629426 UBEXTSHPEBUROO-OVFSHCJGSA-N 321.218 3.601 50 50 DHGA C[Si](C)(C)O[C@@H]1CC2(SCCCS2)[C@H]2CC(=O)[C@H]1C2 169831186 TVSRKLQOGLLIAF-NQBHXWOUSA-N 316.564 3.772 50 50 DHGA Cc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1 431932 IBWUYGNDKSALEP-KGENOOAVSA-N 302.377 3.841 50 50 DHGA C[C@@H](C[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2)c1ccccc1 278413 WOQHBGASMYHOTP-GXTWGEPZSA-N 308.381 3.528 50 50 DHGA N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)c1nc2ccccc2s1 36022167 LTPIGUOTELOGDK-YRNVUSSQSA-N 323.333 3.974 50 50 DHGA N#C/C(=C/c1ccc[nH]1)c1ccc(I)cc1 5064064 JWFCXSHOJHXJDK-FLIBITNWSA-N 320.133 3.683 50 50 DHGA Cc1cc(C)c(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c(C)c1 4956719 TUMNOEMGWXWTOM-YMLLVQOGSA-N 306.409 3.866 50 50 DHGA Cc1ccc(/C=N/NC(=O)[C@H](C)Oc2cccc3ccccc23)o1 438742 CSKMXRSMBUSJBD-PVGUKEHMSA-N 322.364 3.659 50 50 DHGA CC[C@@H]1CCc2sc(C(=O)N/N=C3/C[C@H]4C=CC[C@@H]34)cc2C1 253416187 SNZHWWZLMIUGKD-SACINFRZSA-N 314.454 3.945 50 50 DHGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 281872 FUVWMYYRJUPZTQ-GIJQJNRQSA-N 323.179 3.523 50 50 DHGA O=C(CBr)Nc1ccc(Cl)cc1C(F)(F)F 70159725 WZEMJNWLRCLZIB-UHFFFAOYSA-N 316.504 3.692 50 50 DHGA CSc1ccc(C(=O)C(Br)Br)cc1 101358671 QQTPQWNXLPJDPN-UHFFFAOYSA-N 324.037 3.707 50 50 DHGA CCSC1=C(C#N)[C@H](c2cccc3ccccc23)CC(=O)N1 188451 BLBMLKJKTCIPQV-HNNXBMFYSA-N 308.406 3.932 50 50 DHGA O=C(COc1ccccc1)N/N=C/c1cc(Cl)cc(Cl)c1 43761360 YYHUQDVHQACXMS-GIJQJNRQSA-N 323.179 3.523 50 50 DHGA FC(F)(F)c1ccc(Br)c(CBr)n1 238569483 UNPNSNNFQNLBFZ-UHFFFAOYSA-N 318.918 3.758 50 50 DHGA O=C(NCCCCCCBr)OCc1ccccc1 12648595 RXHBKEAMZCXXSJ-UHFFFAOYSA-N 314.223 3.868 50 50 DHGA in-vitro CC(C)c1ccc(-c2cc(C(=O)NN)c3ccccc3n2)cc1 2759200 UIRWEEFVOLGPPJ-UHFFFAOYSA-N 305.381 3.629 50 50 DHGA Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc2oncc2c1 821028104 OHGYWCTUTHUBBS-ZSOIEALJSA-N 303.321 3.682 50 50 DHGA COc1ccc(N(CC(C)(C)CCC#N)C(=O)CCl)cc1 1875381803 IBFZVFSRCIMTMX-UHFFFAOYSA-N 308.809 3.597 50 50 DHGA CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(C)=O)=C(C)N1 77132 XLJHVGDWIFKZAW-OAHLLOKOSA-N 318.829 3.988 50 50 DHGA CC[C@@H]1[C@H]2C[C@H](C(C)(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N 35330266 PJOLEJUYCOOOJH-IVMMDQJWSA-N 308.429 3.795 50 50 DHGA N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccco1 33302249 PPKSHIGPZKAWPV-WDZFZDKYSA-N 321.163 3.810 50 50 DHGA C[C@@H](Br)[C@H](Br)c1ccccc1[N+](=O)[O-] 3136376 KNWSETUUNBNVIV-MUWHJKNJSA-N 322.984 3.814 50 50 DHGA CO[C@@H]1CC[C@H]2CCN3CCC(CCl)=C(CCCl)[C@@]23C1 4533084 SJVALRLGJXCADE-SQWLQELKSA-N 318.288 3.814 50 50 DHGA O=P(c1ccccc1)(c1ccccc1)C1(O)CCCCC1 390930 SXFUMQXJAHMLDS-UHFFFAOYSA-N 300.338 3.653 50 50 DHGA O=C(c1ccccc1)[C@H](Cl)[C@@H](Cl)C(=O)c1ccccc1 1685451 GRZPRSBXKCWANP-ZIAGYGMSSA-N 307.176 3.967 50 50 DHGA N#CC1=C(N)Oc2ccc3ccccc3c2[C@H]1c1cccc(O)c1 407491 NEMYLVQPCIRWNP-SFHVURJKSA-N 314.344 3.764 50 50 DHGA FC(F)(F)c1cc(Br)cnc1CBr 238565766 CDMPOYLOXGKPSN-UHFFFAOYSA-N 318.918 3.758 50 50 DHGA CC(=NNC(=O)[C@@H](C)Nc1cccc(Cl)c1)c1ccccc1 252515455 KFICZTQWLVQTRT-CYBMUJFWSA-N 315.804 3.681 50 50 DHGA CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2[C@@H](O)C[C@H]3C(=O)C=C[C@H]3[C@H]2C1 169833652 BHUVRJRNNFBIFA-QYHZKZLOSA-N 322.521 3.539 50 50 DHGA Cc1nn(-c2ccc(F)cc2F)c2c1C(Cl)=C(C=O)CC2 2080385351 CCPFFVYXCIUSCT-UHFFFAOYSA-N 308.715 3.554 50 50 DHGA CCC(=NNC(=O)Nc1c(C)cccc1C)c1ccc(O)cc1 244748485 OILKCAHNYPVVSL-UHFFFAOYSA-N 311.385 3.945 50 50 DHGA O=C(Cl)c1cc(F)c(Br)c(Br)c1 263624631 SCSJKDIKZHILFL-UHFFFAOYSA-N 316.351 3.730 50 50 DHGA CC[C@@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)C=C(C)C 2040468 ZRDUSMYWDRPZRM-SNVBAGLBSA-N 322.317 3.888 50 50 DHGA in-vitro C=CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 5092712 WKKODCRSWPJVAJ-NKMORCDDSA-N 324.424 3.853 50 50 DHGA C#CCOc1ccc(OC)cc1/C=C(/C#N)c1ccc(C#N)cc1 16382982 MISRPRBNVXBJPE-WQRHYEAKSA-N 314.344 3.643 50 50 DHGA CCCSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1 2060053 WOVTVNBENIBVBV-GFCCVEGCSA-N 306.818 3.822 50 50 DHGA C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)C#N 118935790 IYGZSTAPMXRITM-MYDRVZFISA-N 317.473 3.645 50 50 DHGA C[C@H](Cl)C(=O)N1CCc2sccc2[C@H]1c1cccs1 1875364046 ATHYVRLOTGIMBF-ZANVPECISA-N 311.859 3.911 50 50 DHGA O=C([C@H](F)Cl)N1CCC[C@H](c2nc3ccccc3s2)C1 1875328879 PUPDMSHAZOVXTH-CABZTGNLSA-N 312.797 3.537 50 50 DHGA CCCCCCC[C@H](O)C[C@H](CC1CCCCC1)C(=O)NN 8686277 NDZBJQPEBQEDNN-IRXDYDNUSA-N 312.498 3.674 50 50 DHGA N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1[C@@H]1C=CCCC1 549302 FWVRQEYFMLFVCZ-DOMZBBRYSA-N 318.380 3.603 50 50 DHGA COc1ccc(NC(=O)C(C#N)=C2CCC(C)CC2)c(OC)c1 17052728 DFUCLAONPMKNFD-UHFFFAOYSA-N 314.385 3.673 50 50 DHGA O=C(c1ccc(Cl)cc1)C(Br)Br 100241846 UBWBLFIQIJHEDN-UHFFFAOYSA-N 312.388 3.639 50 50 DHGA in-vitro C[C@H](NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)c1ccccc1 265708 TVMSPDJUGJVUIH-VUODPORTSA-N 319.408 3.537 50 50 DHGA FC(F)(F)c1nc(Br)ccc1CBr 238580638 NKIYUWMYGDFIQA-UHFFFAOYSA-N 318.918 3.758 50 50 DHGA COc1cc(OC)cc(C(=O)Nc2ccc([SH]=C=N)cc2)c1 252430928 UGEKGPHPZAVPQS-UHFFFAOYSA-N 316.382 3.265 50 50 DHGA C[C@H](C[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2)c1ccccc1 278415 WOQHBGASMYHOTP-TZMCWYRMSA-N 308.381 3.528 50 50 DHGA COc1cc(/C(C#N)=C\c2ccccc2)c([N+](=O)[O-])cc1OC 4831774 SCEGECHAONJIFZ-JYRVWZFOSA-N 310.309 3.676 50 50 DHGA CCC[C@H](C)[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 6648840 QHLXGBMYFXBSJF-SMDDNHRTSA-N 308.385 3.683 50 50 DHGA CC(=O)Nc1ccc(NC(=O)[C@@H](Cl)c2ccccc2)cc1 36720166 RQWCOPGHDNJOLW-HNNXBMFYSA-N 302.761 3.564 50 50 DHGA O=C(CCl)N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 1875375045 OVUJCZIGNGPVGI-RYUDHWBXSA-N 305.727 3.697 50 50 DHGA Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CCl)cc1 506700 VGGZGAOSHSLDIF-CQSZACIVSA-N 318.829 3.973 50 50 DHGA O=C(CCl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2149721 LEYIUTOAQOUAFG-UHFFFAOYSA-N 305.605 3.902 50 50 DHGA biogenic,in-vitro Cc1nc(CN(C)C(=O)c2ccccc2)sc1CCCl 952878450 DVNSDTWETMWLJT-UHFFFAOYSA-N 308.834 3.505 50 50 DHGA COc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1 16133986 TWBILVIRDSKLEM-MOSHPQCFSA-N 304.349 3.612 50 50 DHGA O=C(CCl)c1scc(Br)c1Br 3884176 DVHYHNZCCIEQQA-UHFFFAOYSA-N 318.417 3.695 50 50 DHGA C/C(=N\NC(=O)Cc1cccs1)c1cccc2ccccc12 5030074 MJRAPOAULGHSCX-CPNJWEJPSA-N 308.406 3.984 50 50 DHGA O=C(CCl)N1N=C(c2ccco2)C[C@@H]1c1cccc(Cl)c1 252503996 VHTNWEXNIGGOLK-CYBMUJFWSA-N 323.179 3.850 50 50 DHGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1C1CCCCC1 44683 PQBYHZOKXQWYFX-OAHLLOKOSA-N 322.364 3.543 50 50 DHGA Cc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)s1 43748 IKCBGWDWSMMEIU-AWEZNQCLSA-N 314.410 3.507 50 50 DHGA Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cccc(O)c1 446104 JNQIPZUMEUCYAC-MDWZMJQESA-N 312.756 3.900 50 50 DHGA O=C(c1ccccc1)[C@@H](Cl)[C@H](Cl)C(=O)c1ccccc1 1685450 GRZPRSBXKCWANP-KBPBESRZSA-N 307.176 3.967 50 50 DHGA C[C@@H](NC(=O)/C(C#N)=C\c1nc(Cl)cs1)c1ccccc1 490783565 RCRNSUUZSSREBQ-VPMLRQHESA-N 317.801 3.581 50 50 DHGA O=C(N/N=C/c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 273637 PWSHDDOPYPBJTF-QGMBQPNBSA-N 311.143 3.896 50 50 DHGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1ccccc1 2521760 PLBRUHXOHVDGMF-GIJQJNRQSA-N 323.179 3.523 50 50 DHGA Cc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2csc(C)c2)cc1 8557851 WDRVKDYQNGUHJN-DJKKODMXSA-N 324.409 3.519 50 50 DHGA CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CCl 41842 IWUYJPUGLVYKIK-UHFFFAOYSA-N 323.801 3.769 50 50 DHGA biogenic CC1=C(C#N)C(c2ccc(Cl)nc2Cl)C(C#N)=C(C)N1 25695204 RQLSYBFROHYWQR-UHFFFAOYSA-N 305.168 3.670 50 50 DHGA COc1ccccc1CN(Cc1cccs1)C(=O)[C@H](C)Cl 1875364117 DULHOSNOPTXGEY-LBPRGKRZSA-N 323.845 3.913 50 50 DHGA COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)[C@H](C)Cl 1875380002 BWWYHUNNBYPMHN-CABZTGNLSA-N 316.228 3.812 50 50 DHGA COC(=O)C(Cl)(Cl)[C@@H](Cl)C(Cl)=C(Cl)Cl 3074870 RNWNKCFGXZFLGW-VKHMYHEASA-N 320.814 3.826 50 50 DHGA CC(C)(C)OC(=O)NCc1ccc(CBr)cc1 71787968 UYGBIHFTZHBDEQ-UHFFFAOYSA-N 300.196 3.606 50 50 DHGA CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(C)=O)=C(C)N1 77127 XLJHVGDWIFKZAW-HNNXBMFYSA-N 318.829 3.988 50 50 DHGA N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(N)=O 68798 ULJYZLXJKSLSRQ-SOFGYWHQSA-N 307.136 3.646 50 50 DHGA Cc1cccc(OCC(=O)N/N=C/C[C@H](C)c2ccccc2)c1C 4647147 QJKSRJUCEKYADD-REIAIGDLSA-N 324.424 3.978 50 50 DHGA O=P(NCCc1ccccc1)(c1ccccc1)c1ccccc1 100696669 KIJJMLILZBRZJA-UHFFFAOYSA-N 321.360 3.748 50 50 DHGA O=C(N/N=C/c1ccsc1)c1cc(C2CC2)nc2ccccc12 2730256 UQNDZUPTKYYUQI-VXLYETTFSA-N 321.405 3.938 50 50 DHGA Cc1cc(Cl)cc(C)c1OCCOCCBr 2894359 QSJWDHJAJKBAHT-UHFFFAOYSA-N 307.615 3.747 50 50 DHGA N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)O 189469 XADVNLBBCXPGHT-JXMROGBWSA-N 318.126 3.701 50 50 DHGA O=C1c2ccccc2[C@@H](c2c[nH]c3ccccc23)N1CCCl 334162595 BSNOGDCBJSIVBR-KRWDZBQOSA-N 310.784 3.952 50 50 DHGA CCC[C@H](C)[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 6648837 QHLXGBMYFXBSJF-FZMZJTMJSA-N 308.385 3.683 50 50 DHGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cccc2ccccc12 282976 KEALYRDNURHPDW-XDHOZWIPSA-N 319.320 3.512 50 50 DHGA O=C(Cl)c1cc(F)c(Br)cc1Br 263624551 RMHQRSXKHQYJJF-UHFFFAOYSA-N 316.351 3.730 50 50 DHGA CC(C)(C)O[C@H]1CC[C@H]2[C@H](Br)C(=O)CC[C@]12C 71786517 NRIOGWZBDKJCKC-HVTMNAMFSA-N 303.240 3.713 50 50 DHGA Cc1ccc(CN(Cc2c(C)noc2C)C(=O)CCl)c(C)c1 1875374706 XZXOMRWMTSUSEF-UHFFFAOYSA-N 320.820 3.676 50 50 DHGA CCN(CC)P(=O)([C@@H](Cl)C(F)(F)F)N(CC)CC 3145477 LIYUGVFSZZCOOX-SECBINFHSA-N 308.712 3.990 50 50 DHGA CCCCCC(=O)NNC(=O)C(c1ccccc1)c1ccccc1 4992225 LFPMNRQTHBNRIX-UHFFFAOYSA-N 324.424 3.546 50 50 DHGA O=C(Cc1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1 298617 VBRSGZAXHNHNAQ-VCHYOVAHSA-N 307.180 3.686 50 50 DHGA FC(F)(Cl)[C@](F)(Cl)CCI 63457975 UKUOPLZDHNKUBO-VKHMYHEASA-N 306.880 3.548 50 50 DHGA O=C1OC(=O)[C@H]2c3c(ccc4ccccc34)[C@@H]3CCCC[C@H]3[C@H]12 216202278 GMVBBHPSZDEHRJ-KNCCTNLNSA-N 306.361 3.910 50 50 DHGA O=C(c1ccnc(Cl)c1)N(CCCl)Cc1ccccc1 1772572603 WBBINNOOKFBNNI-UHFFFAOYSA-N 309.196 3.616 50 50 DHGA Cc1ccsc1/C=N/NC(=O)c1ccc(Br)cc1 271331 GUDVEGBDZYNQMR-OVCLIPMQSA-N 323.215 3.583 50 50 DHGA Cc1ccc(OCCCBr)c(Br)c1 2167714 QEKIAXFRNIXHKL-UHFFFAOYSA-N 308.013 3.921 50 50 DHGA Cc1c(NC(=O)[C@@H](C)Br)cccc1C(F)(F)F 689524154 LALZJHWSOXHURF-SSDOTTSWSA-N 310.113 3.736 50 50 DHGA C[C@]12CC3(CC(=O)O)CC([C@H](Cl)C(=O)O)(C1)C[C@@](C)(C3)C2 4582979 JKZPRSYNGKECDY-XTSOIUOTSA-N 314.809 3.520 50 50 DHGA O=C(N/N=C/c1ccccc1Cl)c1cc2ccccc2cc1O 299739 ZRTQQKIKGQKVFK-RGVLZGJSSA-N 324.767 3.963 50 50 DHGA O=C(CCl)Nc1ncc(C23CC4CC(CC(C4)C2)C3)s1 16383536 ZNNVNMRVAMLZJL-UHFFFAOYSA-N 310.850 3.788 50 50 DHGA CCC(C)=NO[Si](C)(ON=C(C)CC)ON=C(C)CC 299888562 OGZPYBBKQGPQNU-UHFFFAOYSA-N 301.463 3.963 50 50 DHGA FC(F)(F)C(F)(CCI)C(F)(F)F 2584307 NRVDKMYDLZBFEH-UHFFFAOYSA-N 323.977 3.644 50 50 DHGA in-vitro CCCc1ccc(OCC(=O)NN=C2CCC(C)CC2)cc1 4372594 XEQCUZJCUZPARR-UHFFFAOYSA-N 302.418 3.700 50 50 DHGA C/C=C/CSC1=C(C#N)[C@@H](c2ccco2)C(C(C)=O)=C(C)N1 19759715 PUVNBQWRMKCGLC-APHBUQMISA-N 314.410 3.874 50 50 DHGA O=C(CCl)Nc1cc(Cl)ccc1C(=O)c1ccccc1 2165517 CGRNPYWERJSDQS-UHFFFAOYSA-N 308.164 3.748 50 50 DHGA O=C(Cc1c[nH]c2ccccc12)N/N=C/c1cccc(Cl)c1 11566031 YGAQOOGNSLYIIW-KEBDBYFISA-N 311.772 3.514 50 50 DHGA COc1ccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 100220500 NQYVUNVQBLRMBI-GOSISDBHSA-N 322.408 3.823 50 50 DHGA C[Si](C)(C)O[C@@H](CN1CCc2ccccc2C1)C(F)(F)F 195789296 PKNPROXVVKBYML-AWEZNQCLSA-N 317.427 3.827 50 50 DHGA Br[C@H]1CC[C@]2(CCCO2)CC[C@H]1Br 257356541 IWALYINJQBWALK-MYJAWHEDSA-N 312.045 3.637 50 50 DHGA CC(/C=C/c1ccccc1)=N\NC(=O)COc1cccc(C)c1 4366511 FTETXSOCSHETBT-PBBJMKGWSA-N 308.381 3.579 50 50 DHGA C/C(=N\NC(=O)CNc1cccc2ccccc12)c1ccccc1 5249867 PRRXPNCEAMDEJK-PXLXIMEGSA-N 317.392 3.792 50 50 DHGA COc1ccc(/C=C(/C#N)c2ccc(C#N)cc2)cc1[N+](=O)[O-] 14608540 NYECYYSZTMOKMN-NVNXTCNLSA-N 305.293 3.539 50 50 DHGA Cc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 483002 FWLBWCIUKHEYLZ-OTGIAGGSSA-N 316.788 3.566 50 50 DHGA C#CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 60272355 GNEAAXYJEIDVFX-UHFFFAOYSA-N 301.349 3.614 50 50 DHGA Cc1nc([C@@H](C)CNC(=O)c2ccccc2)sc1CCCl 952878552 GFTMXLQGNDBPCQ-NSHDSACASA-N 322.861 3.766 50 50 DHGA CCCOc1cccc(/C=N/NC(=O)c2csc(C)c2C)c1 2110518 XWCWDZBGLWOYHU-VCHYOVAHSA-N 316.426 3.918 50 50 DHGA O=C(Nc1cccc(Cl)c1Cl)OCCBr 2171820 QHGQYZBOTUAQMI-UHFFFAOYSA-N 312.978 3.937 50 50 DHGA CC(=C/c1ccccc1)/C=N/NC(=O)COc1ccccc1C 34870530 PPJDYTPANWXMFN-VFBGBMQPSA-N 308.381 3.579 50 50 DHGA C[Si](C)(C)O[C@H](CN1CCc2ccccc2C1)C(F)(F)F 195789298 PKNPROXVVKBYML-CQSZACIVSA-N 317.427 3.827 50 50 DHGA COc1cccc2c1CC[C@@]2(CCl)NC(=O)OC(C)(C)C 725269448 UIERJZLWOYAULY-INIZCTEOSA-N 311.809 3.600 50 50 DHGA C[C@@H]1CCCC[C@@H]1N(C(=O)CCl)[C@H](C)c1nccs1 1875369808 JKCGQHARFVFGGI-UTUOFQBUSA-N 300.855 3.850 50 50 DHGA S=C(SSC(=S)N1CCCCC1)N1CCCCC1 1606736 KNBRWWCHBRQLNY-UHFFFAOYSA-N 320.574 3.909 50 50 DHGA in-vivo N#C/C(=C\c1ccc(Br)o1)C(=O)Nc1ccccc1 5045659 RCNKRGPAQRBDRU-CSKARUKUSA-N 317.142 3.588 50 50 DHGA N#C/C(=C\c1cccs1)C(=O)NCc1ccc(Cl)cc1 17030877 ITFRZKHCHVFXJT-XYOKQWHBSA-N 302.786 3.625 50 50 DHGA Cn1cc([C@H]2CCCN2CCO[Si](C)(C)C(C)(C)C)cn1 225676555 UNBYBHRRVRFRAJ-OAHLLOKOSA-N 309.530 3.579 50 50 DHGA COc1ccc(C=O)cc1OCCCCCCBr 2028790 LEPAKDKRBICGQV-UHFFFAOYSA-N 315.207 3.842 50 50 DHGA O=C(Oc1cccc(N=C=S)c1)c1ccc([N+](=O)[O-])cc1 2532479 GWVQPZLYYGGQPW-UHFFFAOYSA-N 300.295 3.548 50 50 DHGA CC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1ccccc1Cl 12374295 AXHRJZXVMJOEKF-CQSZACIVSA-N 304.802 3.555 50 50 DHGA O=C(CCl)N1N=C(c2cccc(F)c2)C[C@H]1c1cccs1 241586423 OVWMLMCRVKUXQS-ZDUSSCGKSA-N 322.792 3.804 50 50 DHGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1C1CCCCC1 13018409 ARNJGYIKRACDFZ-HNNXBMFYSA-N 320.396 3.827 50 50 DHGA O=C([C@@H](F)Cl)N1CCC[C@H](c2nc3ccccc3s2)C1 1875328880 PUPDMSHAZOVXTH-JOYOIKCWSA-N 312.797 3.537 50 50 DHGA Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)o1 389916 AZYPGZOLCYDJNR-QGZVFWFLSA-N 302.333 3.959 50 50 DHGA C/C(=N/NC(N)=O)c1cc(C(C)(C)C)cc2c1CCC2(C)C 440516 HKILTCVHXMWNCH-JAIQZWGSSA-N 301.434 3.600 50 50 DHGA N#C/C(=C/c1ccc(OCCN2CCCC2)cc1)c1ccccn1 914702760 LFIYRHXBUKEILA-SDXDJHTJSA-N 319.408 3.620 50 50 DHGA Cc1ccc(S(=O)(=O)C[C@H](SC#N)c2ccccc2)cc1 81564 LYGIYIJZXPJYGQ-INIZCTEOSA-N 317.435 3.724 50 50 DHGA C/C(=N\NC(=O)c1[nH]nc(-c2ccccc2)c1C)c1ccccc1 4599623 MIQWDSLKULZMPN-XSFVSMFZSA-N 318.380 3.539 50 50 DHGA Fc1c(Br)cc(CBr)c(F)c1F 238553176 PXCKVKZOEJNUBU-UHFFFAOYSA-N 303.903 3.761 50 50 DHGA C/C(=N\NC(=O)c1cccc(O)c1)c1ccc(Cl)cc1Cl 8408580 LPSDUNUAVPMVQJ-GIJQJNRQSA-N 323.179 3.853 50 50 DHGA CCSC1=C(C#N)[C@@H](c2ccc(C)o2)C(C(C)=O)=C(C)N1 13281933 APNMYGJKULCVJJ-HNNXBMFYSA-N 302.399 3.626 50 50 DHGA O=C(NNc1ncccn1)c1cc(-c2ccccc2)ccc1Cl 110622677 YPQFZPMUGKBFAI-UHFFFAOYSA-N 324.771 3.554 50 50 DHGA N#C/C(C(=O)c1ccccc1)=C1/SC=C(N)N1c1ccccc1 13109200 ZRUIYWJMXMUVPB-SDXDJHTJSA-N 319.389 3.615 50 50 DHGA aggregator N#CC(C#N)=Cc1ccc(OCc2cnc(Cl)s2)cc1 1399338 HTXZPIRSESWKLR-UHFFFAOYSA-N 301.758 3.806 50 50 DHGA N#C/C(=C\c1cnn(-c2ccccc2)c1)c1nc2ccccc2[nH]1 4170938 UNWIJXJRYDLLIU-XNTDXEJSSA-N 311.348 3.813 50 50 DHGA CC[C@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)C=C(C)C 2040469 ZRDUSMYWDRPZRM-JTQLQIEISA-N 322.317 3.888 50 50 DHGA in-vitro O=C(Nc1cccc(C(F)(F)F)c1)OCCBr 2167824 GFKQEAACJOESPK-UHFFFAOYSA-N 312.085 3.649 50 50 DHGA Nc1cccc(CP(=O)(c2ccccc2)c2ccccc2)c1 2757412 OSZSZGXKZQXUHB-UHFFFAOYSA-N 307.333 3.783 50 50 DHGA COc1ccc(/C=C(/C#N)C(=O)c2ccccc2OC)cc1OC 212661833 YCWZTPPYEAPQLW-UVTDQMKNSA-N 323.348 3.502 50 50 DHGA C[C@@]1(c2cccs2)CC(c2cccs2)=C(C#N)C(=O)N1 55612 JIMJVNSBQCIKRZ-HNNXBMFYSA-N 300.408 3.522 50 50 DHGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cccs2)c1 135125 NEQCEWYOFFXNSN-VCHYOVAHSA-N 316.426 3.709 50 50 DHGA CCCCOc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1 3167338 VRIFTGBZJZHRRT-XSFVSMFZSA-N 310.397 3.938 50 50 DHGA CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)C(C(=O)O)=C(C)N1 34446521 VGBXGYFTDMLZPD-CQSZACIVSA-N 322.286 3.548 50 50 DHGA C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(O)C#N 257356341 HMLYKJJOHHAVFP-SLOHPKBISA-N 315.457 3.565 50 50 DHGA O=C(c1cccs1)C(Br)C(=O)c1cccs1 100698209 APDNSJGQMDSWQO-UHFFFAOYSA-N 315.213 3.639 50 50 DHGA CCO[Si](OCC)(OCC)c1ccc(-c2ccccc2)cc1 169747642 KMISPMRSLVRNRI-UHFFFAOYSA-N 316.473 3.609 50 50 DHGA Cc1occc1C(=O)NN=C(c1ccccc1)c1ccccc1 5537294 JBBVBPNGAYWDKA-UHFFFAOYSA-N 304.349 3.770 50 50 DHGA O=C(CCl)N1N=C(c2cccc(F)c2)C[C@@H]1c1cccs1 241586422 OVWMLMCRVKUXQS-CYBMUJFWSA-N 322.792 3.804 50 50 DHGA COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccsc1 373895 CASKQONSHTZJOS-IZZDOVSWSA-N 318.785 3.956 50 50 DHGA O=C(CCl)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 506214 JPSFVAQRUAVEMQ-ZDUSSCGKSA-N 322.792 3.804 50 50 DHGA C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccccc1 12343196 OAMRJKRVUINBNP-DEDYPNTBSA-N 304.349 3.699 50 50 DHGA Cc1ccc(/C=N/NC(=O)c2cc(C3CC3)nc3ccccc23)o1 184634 QRYOFLNKOHQTBT-RGVLZGJSSA-N 319.364 3.778 50 50 DHGA FC(F)(F)c1cnc(Br)cc1CBr 238578084 IUWRZGUIAXAEJY-UHFFFAOYSA-N 318.918 3.758 50 50 DHGA CCOC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2)c1 4786621 KWSZCNMJXKZKTG-BOPFTXTBSA-N 307.349 3.736 50 50 DHGA COc1ccc(/C=N/NC(=O)c2sccc2C)c2ccccc12 355848 ULIDFMKMRKGNHB-YBFXNURJSA-N 324.405 3.982 50 50 DHGA O=C(Cl)c1ccc(F)c(Br)c1Br 263624545 RKJOQDXOOMBISD-UHFFFAOYSA-N 316.351 3.730 50 50 DHGA COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(OC)c1 3998120 ZGYJQFBYKBGSIX-UKTHLTGXSA-N 305.337 3.644 50 50 DHGA CC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1ccccc1Cl 12374294 AXHRJZXVMJOEKF-AWEZNQCLSA-N 304.802 3.555 50 50 DHGA N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(N)=O 101288 WKZPFRTVMUBECD-WEVVVXLNSA-N 307.136 3.646 50 50 DHGA Cc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 483003 FWLBWCIUKHEYLZ-MDBUFAAASA-N 316.788 3.566 50 50 DHGA CC(/C=C/c1ccccc1)=N\NC(=O)[C@H]1C[C@H]1c1ccccc1 12343098 OFFPXSVZSZHNOC-GZCJHLLESA-N 304.393 3.996 50 50 DHGA COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(OC)c1 276771 XTLWPWQPZJBQJJ-NTEUORMPSA-N 310.309 3.676 50 50 DHGA CC(C)Cc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)cc1 5908609 VODWIAKQPAXIIL-UHFFFAOYSA-N 319.408 3.704 50 50 DHGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1c(O)ccc2ccccc12 245227010 WCISRAYKVLSOCG-RUCZPBRESA-N 322.408 3.822 50 50 DHGA COc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1 130825 TWBILVIRDSKLEM-DEDYPNTBSA-N 304.349 3.612 50 50 DHGA C/C(=N\NC(=O)COc1ccc(Cl)c(C)c1)c1cccs1 289065 CVWPVPLJITYONP-GZTJUZNOSA-N 322.817 3.629 50 50 DHGA CCOc1ccccc1/C=C(\C#N)c1nc(O)c2ccccc2n1 3899761 RDSTZLWJGKIZSC-SDNWHVSQSA-N 317.348 3.798 50 50 DHGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)CCc1ccccc1 225527 LPHUAEHECXGDPQ-DEDYPNTBSA-N 305.381 3.559 50 50 DHGA C/C(=N/NC(=O)c1ccc(N)cc1)c1ccc2ccccc2c1 4774198 VOOYSRVETAVHRL-BKUYFWCQSA-N 303.365 3.576 50 50 DHGA COc1ccc([C@H](C#N)O[Si](C)(C)C)cc1Br 169925879 MSLJWUFQHHZIRU-LBPRGKRZSA-N 314.255 3.874 50 50 DHGA in-vitro FC(F)(F)c1cccc(-c2cc(CBr)n[nH]2)c1 47818615 RSUWRQUDCNGPPG-UHFFFAOYSA-N 305.097 3.990 50 50 DHGA Cc1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C)cc2)cc1 169744939 MEQYEVSZYLVDNX-UHFFFAOYSA-N 314.577 3.844 50 50 DHGA O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)Nc1ccccc1 95925 QMKXHHDCSLYPNK-CAOOACKPSA-N 324.167 3.855 50 50 DHGA COc1ccc(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)cc1 445345 JCUNMAKZDQTQCV-JLHYYAGUSA-N 317.348 3.722 50 50 DHGA CC(C)(C)c1ccc(/C=N/NC(=O)Cc2cccs2)cc1 520544 IVPFAICCJWANPQ-LDADJPATSA-N 300.427 3.738 50 50 DHGA CCOCc1c(C)cc(C)c(/C=C(\C#N)C(=O)OCC)c1C 2495328 BECSKFLECDOOOH-OQLLNIDSSA-N 301.386 3.618 50 50 DHGA Cc1nc2ccccc2c2c1[C@@H](c1cccs1)C(C#N)=C(N)O2 4051131 JSYCXHHAYGOEJG-MRXNPFEDSA-N 319.389 3.823 50 50 DHGA C/C(=N/NC(=O)c1ccccc1)c1ccc2ccccc2c1O 100288104 OBTILXGLLUXOLJ-MOSHPQCFSA-N 304.349 3.699 50 50 DHGA C=CCSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1 9088968 GUSUPKIOFOMKAH-GFCCVEGCSA-N 304.802 3.598 50 50 DHGA C[C@@H](c1ccccc1)[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 121834 IVLHCENRXRAXEK-YVEFUNNKSA-N 322.408 3.774 50 50 DHGA O=C(N/N=C/c1cccnc1)c1sc2ccccc2c1Cl 433275 XKJLHPRAAXQMQH-GIJQJNRQSA-N 315.785 3.714 50 50 DHGA Cc1ccccc1/C=N\NC(=O)c1ccccc1-n1cccc1 12955497 ZQFQZDMKMLSMPC-ZHZULCJRSA-N 303.365 3.550 50 50 DHGA ClC[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 39159543 LPECDQDHFCOVSK-LJQANCHMSA-N 314.860 3.612 50 50 DHGA O=C(N/N=C/c1cccc(F)c1)c1ccc(Cl)cc1Cl 2141417 JGQGUABNLUNJCM-QGMBQPNBSA-N 311.143 3.896 50 50 DHGA Cc1ccc([C@@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)o1 8995811 JFXGELUMKVQUQU-CQSZACIVSA-N 324.405 3.860 50 50 DHGA Cc1ccc(C(C)C)cc1OCC(=O)NN=C1CCCCC1 43190739 DRZRSJHBLXFZRC-UHFFFAOYSA-N 302.418 3.934 50 50 DHGA CC(C)(C)OC(=O)NCc1ccccc1CBr 95930433 PMVKSBVKLOFUBH-UHFFFAOYSA-N 300.196 3.606 50 50 DHGA ClCCCOc1ccc(CN2CC[C@@H]3OCCC[C@@H]3C2)cc1 252488009 IGXFHPWGPDGQLQ-AEFFLSMTSA-N 323.864 3.695 50 50 DHGA Cc1nc(C(Cl)Cl)nc2cc(-c3ccc(F)cc3)nn12 1775976141 KDINTDUWPKYSKN-UHFFFAOYSA-N 311.147 3.715 50 50 DHGA COC[C@@H](CBr)c1ccc(Br)cc1 160798541 IJRABZMYCVLMAO-SECBINFHSA-N 308.013 3.574 50 50 DHGA CN(C(=O)CCl)[C@H](c1ccc(Cl)cc1)C(F)(F)F 1336912648 XXEOODMTARCSOZ-SNVBAGLBSA-N 300.107 3.641 50 50 DHGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2CCc1ccccc1 35060 USIXZOLLUCSZLX-AWEZNQCLSA-N 322.408 3.603 50 50 DHGA CC1CCC(=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)CC1 4372723 UXRQHVGWSHHQEN-PIJUOVFKSA-N 308.809 3.790 50 50 DHGA Fc1ccccc1P(c1ccccc1F)c1ccccc1F 113913823 LZTKJXHKOLJIHI-UHFFFAOYSA-N 316.262 3.862 50 50 DHGA Cc1ccc2nc(/C(C#N)=C\c3cccc([N+](=O)[O-])c3)[nH]c2c1 6628504 IGRDEZDDSQRJEL-JYRVWZFOSA-N 304.309 3.844 50 50 DHGA C/C(=N\NC(=O)COc1ccc(C)cc1)c1ccc(Cl)cc1 135130 JHACNVTTZKEXLJ-CPNJWEJPSA-N 316.788 3.568 50 50 DHGA CC(C)c1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1 1260004 WRYNAQXBQOIADY-YBFXNURJSA-N 312.417 3.595 50 50 DHGA CC[C@H](CN(C)C(=O)CCl)Oc1ccc(Cl)c(Cl)c1 1875374612 AJWXXDFVGOMDJC-SECBINFHSA-N 324.635 3.848 50 50 DHGA O=C(N/N=C/c1sc2ccccc2c1Cl)c1ccncc1 334727 JULSTEVWROSNSB-GIJQJNRQSA-N 315.785 3.714 50 50 DHGA CCOC(=O)N/N=C\c1ccccc1OC/C=C/c1ccccc1 15933748 GZOOFQZZMFCTSL-OWBXZZSYSA-N 324.380 3.859 50 50 DHGA CCSC1=C(C#N)[C@H](c2cccs2)C2=C(CCCC2=O)N1 19882629 SZTDDLBNZWWKHF-CQSZACIVSA-N 316.451 3.930 50 50 DHGA O=C(N/N=C/c1ccc(Cl)cc1)c1cc2ccccc2cc1O 299313 VRYBKRWSKIEGAA-RGVLZGJSSA-N 324.767 3.963 50 50 DHGA N#CC1=C(SCc2ccccc2)NC(=O)C[C@@H]1c1ccco1 8971644 OOEOTGJSEMNLPC-ZDUSSCGKSA-N 310.378 3.552 50 50 DHGA C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cc(C)ccc1C 13328409 RBUDIAGWUDXTQK-CDDVYSJNSA-N 306.409 3.947 50 50 DHGA O=C(Cl)c1cccc2cccc(I)c12 169725966 VTSAXFRCPZUNGI-UHFFFAOYSA-N 316.525 3.823 50 50 DHGA Cc1ccc(/C=C(\C#N)c2nc(O)c3cc(Cl)ccc3n2)o1 4426925 ZCLOVEMZKAAYHY-UXBLZVDNSA-N 311.728 3.954 50 50 DHGA Cc1cccc(/C=N/NC(=O)c2ccc(Br)cc2)c1 297211 RBWRBAVQTUQHOZ-LICLKQGHSA-N 317.186 3.521 50 50 DHGA O=C(CCl)N(Cc1ccoc1)c1ccc([C@H]2CCOC2)cc1 1875374337 LEOVCTAQEXCPJQ-HNNXBMFYSA-N 319.788 3.556 50 50 DHGA O=C(N/N=C/c1ccccc1Br)Nc1ccccc1 459628 OPTLOMNGKVJNGN-MHWRWJLKSA-N 318.174 3.605 50 50 DHGA Cc1ccc(C)c(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCO3)c1 17055174 GYUJCTPIZKPANW-OVCLIPMQSA-N 320.348 3.578 50 50 DHGA CCOc1ccc(C(=O)N/N=C/C(C)=C\c2ccccc2)cc1 33580101 KPZLMQBFXDDBTL-WAVHTBQISA-N 308.381 3.904 50 50 DHGA C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#N 607740096 IYGZSTAPMXRITM-FLSWDFCDSA-N 317.473 3.645 50 50 DHGA CN(C)[C@H](CP(c1ccccc1)c1ccccc1)C1=CCC=C1 245189245 GKSKIEWHDLIJBU-OAQYLSRUSA-N 321.404 3.936 50 50 DHGA O=C(N/N=C/c1cccc(Cl)c1Cl)c1cccc(F)c1 298794 CKTBVFVYOJZLEO-QGMBQPNBSA-N 311.143 3.896 50 50 DHGA O=C(CBr)c1ccc(NC(=O)c2ccccc2)cc1 27529757 UZDBRMWBLAQQIX-UHFFFAOYSA-N 318.170 3.517 50 50 DHGA Cc1ccc2[nH]c(/C(C#N)=C/c3cc([N+](=O)[O-])ccc3F)nc2c1 3903206 CBFBQTDVISPLEF-KPKJPENVSA-N 322.299 3.983 50 50 DHGA Cc1cccc(O[C@H](C)C(=O)N/N=C/c2ccc(Cl)cc2)c1 137682 GOJYRGTXBLLQHS-OTGIAGGSSA-N 316.788 3.566 50 50 DHGA COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1 4453112 ZFPDVMOQWQFAOM-NTUHNPAUSA-N 305.337 3.644 50 50 DHGA COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1C 5093885 FIHDLXVEQPKQMV-FSJQVDSDSA-N 312.413 3.606 50 50 DHGA O=C(Cl)c1cc(Br)c(Br)cc1F 263624502 RBVXMFRWKVKJGE-UHFFFAOYSA-N 316.351 3.730 50 50 DHGA Cc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc1 1449387 ZNBHKGHSVKJTRD-FYJGNVAPSA-N 318.376 3.677 50 50 DHGA Cc1ccccc1S(=O)(=O)C[C@@H](SC#N)c1ccccc1 124749 VJANAANBOCSTIB-OAHLLOKOSA-N 317.435 3.724 50 50 DHGA O=C(N/N=C/c1ccc[nH]1)c1sc2ccccc2c1Cl 334755 BRIUVTIZTSCDEQ-CAOOACKPSA-N 303.774 3.647 50 50 DHGA N#C/C(=C\c1ccco1)C(=O)Nc1ccc(C(F)(F)F)cc1 443076 GIZFPTUTFNSMDK-CSKARUKUSA-N 306.243 3.844 50 50 DHGA C/C(=N\NC(=O)c1cc(C2CC2)n[nH]1)c1cccc2ccccc12 536026 QWCAAQDPITVIER-UDWIEESQSA-N 318.380 3.594 50 50 DHGA C[C@H](Br)C(=O)NC(c1ccccc1)c1ccccc1 5662361 BWWZRZUTRVKSCW-LBPRGKRZSA-N 318.214 3.676 50 50 DHGA N#CC1=C(N)Oc2c(ccc3cccnc23)[C@@H]1c1ccccc1F 37301 TXZOCVNVLJMPEF-INIZCTEOSA-N 317.323 3.592 50 50 DHGA C/C(=N\NC(=O)CNc1cccc(Cl)c1)c1ccc(C)cc1 6501763 AVLOFZJEOMOHCX-DEDYPNTBSA-N 315.804 3.601 50 50 DHGA Cc1cc(C)c(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)c(C)c1 4956721 TUMNOEMGWXWTOM-QPMAMFFCSA-N 306.409 3.866 50 50 DHGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1 4982182 ZZOFQLARXAYELP-XSFVSMFZSA-N 309.413 3.605 50 50 DHGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(F)cc1 254262 VMFLOIRLKSATSC-QGMBQPNBSA-N 311.143 3.896 50 50 DHGA CC(C)C[C@@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@@H](c1ccccc1)C2 179163 KBALFCXSMKSFRZ-HUUCEWRRSA-N 322.408 3.774 50 50 DHGA C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#N 253497464 JYCSLUASXDFIEL-GPBSYSOESA-N 313.441 3.773 50 50 DHGA O=C(COc1ccc(F)cc1)N/N=C/c1cccc2ccccc12 440021 RUEXOXJDXXOBCD-CIAFOILYSA-N 322.339 3.508 50 50 DHGA CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](O)CN(Cc2ccccc2)C1 195897739 LPKCLOBPWVYSOV-IAGOWNOFSA-N 321.537 3.644 50 50 DHGA CC(=O)c1ccc(/C(C)=N/NC(=O)c2cccc(Cl)c2)cc1 2325809570 KQBZTFQHUMPPOP-YBFXNURJSA-N 314.772 3.697 50 50 DHGA C/C(=N\NC(=O)c1cc(C(C)(C)C)n[nH]1)c1ccc(Cl)cc1 12343179 ATPNSJUBZJIWMS-VCHYOVAHSA-N 318.808 3.515 50 50 DHGA CCCCCn1nc(C)c(/C=N/NC(=O)c2cccs2)c1C 16638689 HYLOTRATWGBRGK-GZTJUZNOSA-N 318.446 3.516 50 50 DHGA CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1 227364 GNBHFBVTSNANPE-LJQANCHMSA-N 319.408 3.533 50 50 DHGA O=C(N/N=C/c1ccccc1O)c1ccc(-c2ccccc2)cc1 348345 SEFQMQBREBVDGL-KGENOOAVSA-N 316.360 3.823 50 50 DHGA O=C(CCCl)N1c2ccccc2OC[C@H]1c1ccccc1 5947687 FBXOQVDAIKPIEY-HNNXBMFYSA-N 301.773 3.782 50 50 DHGA C/C(=N\NC(=O)Cc1cccs1)c1ccc2ccccc2c1 19849190 URSUFAVNOCRCLT-CPNJWEJPSA-N 308.406 3.984 50 50 DHGA O=C(Cc1cc2ccccc2[nH]1)N/N=C/c1ccc(Cl)cc1 431712 WFQAYMNYISZRFI-YBFXNURJSA-N 311.772 3.514 50 50 DHGA CCOc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1 485121 KKIBABIETYWBOB-WOJGMQOQSA-N 302.761 3.503 50 50 DHGA CC(/C=C/c1ccco1)=N/NC(=O)COc1cccc(Cl)c1 12342862 MVAUTANPXTUDCU-COKRBVQGSA-N 318.760 3.517 50 50 DHGA CC1=C(C#N)[C@H](c2cccc(O)c2)C2=C(CC(C)(C)CC2=O)N1 5095050 QRKCFEJZUBAHNX-KRWDZBQOSA-N 308.381 3.520 50 50 DHGA C/C(=N/NC(=O)c1ccc(-n2cccc2)cc1)c1ccccc1 6185226 BRWDFKFTZHAZGE-HKWRFOASSA-N 303.365 3.631 50 50 DHGA CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](O)CN(Cc2ccccc2)C1 197321994 LPKCLOBPWVYSOV-IRXDYDNUSA-N 321.537 3.644 50 50 DHGA N#C/C(=C\c1cc2ccccc2oc1=O)c1nc2ccccc2[nH]1 4454029 DLAHOOMZGMJMHI-GXDHUFHOSA-N 313.316 3.733 50 50 DHGA O=C(Nc1ccc(Cl)cc1Cl)OCCBr 2171772 LOCAVVBLFAKVJZ-UHFFFAOYSA-N 312.978 3.937 50 50 DHGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1[C@@H]1CC=CCC1 6648832 MCVNJOHMZSRDEC-DOMZBBRYSA-N 318.380 3.603 50 50 DHGA Cc1cc(Br)c(NC(=O)C(Cl)Cl)cc1C 2143240 FGWOWSLDEHPIKY-UHFFFAOYSA-N 311.006 3.808 50 50 DHGA O=C(N/N=C/c1cccs1)c1ccc(OC2CCCC2)cc1 2730372 AZOWUUSWEJFWIX-LDADJPATSA-N 314.410 3.833 50 50 DHGA CCCCC(O)(CCCC)C(=O)NNc1ccccc1Cl 2851671 MCVLZRAKSDYSJG-UHFFFAOYSA-N 312.841 3.895 50 50 DHGA Cc1cccc(/C=N\NC(=O)c2sccc2-n2cccc2)c1 29763848 CFWXNDFXMPDHJP-PDGQHHTCSA-N 309.394 3.611 50 50 DHGA N#[N+]/C(=C(/O)Cl)P(=O)(c1ccccc1)c1ccccc1 136769248 ZRZISWSBITXCBR-UHFFFAOYSA-O 305.681 3.777 50 50 DHGA FC(F)(F)c1cnc(Br)c(CBr)c1 145710443 UZOMEHYMJOWSPX-UHFFFAOYSA-N 318.918 3.758 50 50 DHGA O=C(OC(=O)C1CCC(F)(F)CC1)C1CCC(F)(F)CC1 100541915 CLEVEZHHCYIWPF-UHFFFAOYSA-N 310.287 3.707 50 50 DHGA CC[C@@H]1CCc2sc(C(=O)N/N=C3/C[C@@H]4C=CC[C@@H]34)cc2C1 229378749 SNZHWWZLMIUGKD-PFSOOTMESA-N 314.454 3.945 50 50 DHGA Cc1cc(F)ccc1N(Cc1ccnn1C(C)C)C(=O)CCl 1875376483 YKZMOTKZWCULDI-UHFFFAOYSA-N 323.799 3.684 50 50 DHGA N#CC(=Cc1c[nH]c2ccccc12)S(=O)(=O)c1ccccc1 2049243850 VDWDUJJWMCDGHH-UHFFFAOYSA-N 308.362 3.506 50 50 DHGA COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1C 5093883 FIHDLXVEQPKQMV-LSIOVABJSA-N 312.413 3.606 50 50 DHGA CC[C@@H](Br)C(=O)N1CCC(Cc2ccccc2)CC1 32919922 AHRXIRJITLECJP-OAHLLOKOSA-N 324.262 3.641 50 50 DHGA O=C(Cl)c1ccc(Br)c(Br)c1F 263624200 OHVHTQWUKHYHAX-UHFFFAOYSA-N 316.351 3.730 50 50 DHGA CN(C)c1ccc(P(c2ccccc2)c2ccccc2)cc1 43463076 GOEGBJDTWXTPHP-UHFFFAOYSA-N 305.361 3.511 50 50 DHGA in-vitro CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)OC2=O)cc1 44417523 ZXIUCXGVUOQMSH-UHFFFAOYSA-N 314.381 3.915 50 50 DHGA biogenic,in-vitro COc1cc(C)cc2c(C)c([C@@H](C)NC(=O)[C@H](C)Cl)oc12 1875364745 SEFSWGIAOFRMPK-WDEREUQCSA-N 309.793 3.863 50 50 DHGA CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 447762 HTDOWCJTYSOKNC-QGMBQPNBSA-N 324.211 3.871 50 50 DHGA COc1ccccc1CN(Cc1cccs1)C(=O)[C@@H](C)Cl 1875364116 DULHOSNOPTXGEY-GFCCVEGCSA-N 323.845 3.913 50 50 DHGA Cc1ccsc1/C=N\NC(=O)c1cccc(Br)c1 16310379 UIBUYKJLZOSEBH-NVNXTCNLSA-N 323.215 3.583 50 50 DHGA C[C@H](Cl)C(=O)N[C@H](C)c1ccc(C(F)(F)F)nc1Cl 1875377931 RNGBYUZJGXJTEF-NTSWFWBYSA-N 315.122 3.558 50 50 DHGA CC1=C(C#N)[C@@H](Cc2ccccc2)C2=C(CC(C)(C)CC2=O)N1 408683 HRUHDDVMQGAPDQ-OAHLLOKOSA-N 306.409 3.889 50 50 DHGA C/C(=N\NC(=O)c1cccc(O)c1)c1ccc(Cl)c(Cl)c1 13321603 MXMXOMGTTWHXDQ-GIJQJNRQSA-N 323.179 3.853 50 50 DHGA Cc1ccc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 16361381 RHBNHVBLVHXWML-NSIKDUERSA-N 308.293 3.696 50 50 DHGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccccc2)cc1 4210857 KBKURFRZMSRNTL-KGENOOAVSA-N 317.392 3.858 50 50 DHGA CC[C@@H](Br)C(=O)Nc1ccccc1Br 61487406 ISNSEOMVZCVSMG-SSDOTTSWSA-N 321.012 3.561 50 50 DHGA CCOC(=O)N/N=C/c1ccc(Oc2ccccc2)c(F)c1 220979093 HQIVRFSPHJKPRI-WOJGMQOQSA-N 302.305 3.698 50 50 DHGA CC(C)Oc1ccccc1Pc1ccccc1OC(C)C 100239371 YIPWRRYMXFYATQ-UHFFFAOYSA-N 302.354 3.890 50 50 DHGA Cl[C@@H](CSc1nnnn1-c1ccccc1)c1ccccc1 189684 BNZHBFNNXJKLOL-AWEZNQCLSA-N 316.817 3.735 50 50 DHGA CC(C)Cc1ccc([C@H](C)C(=O)N/N=C/c2ccccc2O)cc1 295106 STOICWIMSJOAHB-PCXKXAPESA-N 324.424 3.845 50 50 DHGA C=CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 2969314 WKKODCRSWPJVAJ-TUCNFPDKSA-N 324.424 3.853 50 50 DHGA Cc1ocnc1CN(Cc1cccc(C2CC2)c1)C(=O)CCl 1875382860 UMZZXKWKXMLLEU-UHFFFAOYSA-N 318.804 3.628 50 50 DHGA COc1cc(C(=O)Cl)c(Br)cc1OC(C)C 40451480 PWIDZGQDTFSWSS-UHFFFAOYSA-N 307.571 3.624 50 50 DHGA CO[C@]1(C)Oc2ccc3ccccc3c2C[C@H]1Br 3132384 NGGSYMULDIETQY-HUUCEWRRSA-N 307.187 3.901 50 50 DHGA C/C(=N\NC(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1ccc2ccccc2c1O 245227600 KTCMMLGFFMETED-UODJQXEHSA-N 322.408 3.822 50 50 DHGA O=C(NN=C1CCC(c2ccccc2)CC1)c1ccccc1O 298466 UGPHQMVZZSVSOX-UHFFFAOYSA-N 308.381 3.836 50 50 DHGA C=CCOc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1 2898566 PHKGKYIJQOBEOA-XDHOZWIPSA-N 314.772 3.669 50 50 DHGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccco1 227692 ZZYQBUPVDMALPU-DEDYPNTBSA-N 320.348 3.623 50 50 DHGA O=C(NNc1ccc([N+](=O)[O-])cc1)Nc1ccc2ccccc2c1 22204732 AIQVUMYXOZOEQH-UHFFFAOYSA-N 322.324 3.897 50 50 DHGA CC(C)(C)C1CCC(C(=O)NNC(=O)NC2CCCCC2)CC1 2761754 VRCSZWSSTMFPKQ-UHFFFAOYSA-N 323.481 3.502 50 50 DHGA O=C(Cc1ccccc1)SSC(=O)Cc1ccccc1 4352620 IXGZXXBJSZISOO-UHFFFAOYSA-N 302.420 3.906 50 50 DHGA biogenic,in-vitro C/C(=N\NC(=O)c1ccoc1C)c1cccc(Br)c1 232450 GJXUPKPLMKKADW-CXUHLZMHSA-N 321.174 3.505 50 50 DHGA Cc1ccc2[nH]c3c(c2c1)CCC/C3=N\NC(=O)c1ccccc1 4952676 GNZDXLAJGCZWQZ-RELWKKBWSA-N 317.392 3.947 50 50 DHGA CCCCCCCCCC(=O)N/N=C/c1ccc(O)cc1O 102301115 GQUMDQVFTQUOFX-QGOAFFKASA-N 306.406 3.689 50 50 DHGA COc1cc(C)cc2c(C)c([C@H](C)NC(=O)[C@@H](C)Cl)oc12 1875364743 SEFSWGIAOFRMPK-MNOVXSKESA-N 309.793 3.863 50 50 DHGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1C1CCCCC1 44682 PQBYHZOKXQWYFX-HNNXBMFYSA-N 322.364 3.543 50 50 DHGA Cc1ccccc1C(=O)N/N=C/c1c(O)ccc2ccccc12 260302 WNVKXPGVBPUNCJ-UDWIEESQSA-N 304.349 3.618 50 50 DHGA Cc1ccccc1NCC(=O)N/N=C\c1cccc2ccccc12 4982173 GUMXJCAQTDZTFB-XKZIYDEJSA-N 317.392 3.710 50 50 DHGA Fc1ccc(P(c2cccc(F)c2)c2cccc(F)c2)cc1 100698308 YGNBWHLFBIXUTG-UHFFFAOYSA-N 316.262 3.862 50 50 DHGA C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccc(F)c(F)c1 254627647 TWGXDQAGKIRLOW-JHGYQOIGSA-N 304.340 3.567 50 50 DHGA O=C(N/N=C/C=C/c1ccccc1)Nc1cccc2nsnc12 3213336 ITCDHVCYZHZXAC-NSYQEJESSA-N 323.381 3.512 50 50 DHGA N#C/C(=C\c1ccc[nH]1)C(=O)Nc1nc(-c2ccccc2)cs1 17055275 KGAVCHRQYGIYBK-UKTHLTGXSA-N 320.377 3.684 50 50 DHGA O=C(Nc1ncc(Cc2ccc(F)cc2)s1)C(Cl)Cl 4303387 SBCJENVRWTUXHX-UHFFFAOYSA-N 319.188 3.615 50 50 DHGA O=C(N/N=C1\CCCc2ccccc21)c1ccc(Cl)cc1O 17052998 WWHCHRRCYCZPBI-XDJHFCHBSA-N 314.772 3.516 50 50 DHGA C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1c[nH]c2ccccc12 5093222 CYEUGSKYWPJIIH-KWLMPMGGSA-N 307.397 3.770 50 50 DHGA C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)n[nH]1)c1ccccc1 12465547 AQUMKPOANNJDPS-LDADJPATSA-N 324.409 3.601 50 50 DHGA C/C=C/CSC1=C(C#N)[C@H](c2ccco2)C(C(C)=O)=C(C)N1 19759718 PUVNBQWRMKCGLC-DWTRPJMMSA-N 314.410 3.874 50 50 DHGA O=C(Cc1cccs1)N/N=C/c1cccc(Cl)c1Cl 73010 ZFTLSXNVERKXAA-LZYBPNLTSA-N 313.209 3.748 50 50 DHGA O=C(CCl)Nc1ncc(Cc2ccccc2Cl)s1 146975 IFSQELGQAIQTRM-UHFFFAOYSA-N 301.198 3.565 50 50 DHGA CC1=C(C#N)[C@H](Cc2ccccc2)C2=C(CC(C)(C)CC2=O)N1 408684 HRUHDDVMQGAPDQ-HNNXBMFYSA-N 306.409 3.889 50 50 DHGA COc1c(CBr)cc(C)cc1CBr 3122824 WWFFUXQAXQXEJR-UHFFFAOYSA-N 308.013 3.793 50 50 DHGA N#C/C(=C/c1ccc(Br)o1)c1ccc2c(c1)OCO2 16361895 DAILPAHYTDXTJQ-YHYXMXQVSA-N 318.126 3.835 50 50 DHGA FC(F)(F)[C@H](Br)[C@H](Br)C(F)(F)F 95707795 CLDAABVXWZWULA-XIXRPRMCSA-N 323.856 3.638 50 50 DHGA CCC(C)(C)CN(Cc1cc2c(O)nccc2o1)C(=O)CCl 1875382227 VNJXKJPOPQVDFA-UHFFFAOYSA-N 324.808 3.537 50 50 DHGA CCCCCCC[C@@H](O)C[C@H](CC1CCCCC1)C(=O)NN 8686279 NDZBJQPEBQEDNN-DLBZAZTESA-N 312.498 3.674 50 50 DHGA Cc1ccc(S(=O)(=O)/C(C#N)=C/c2sccc2C)cc1 373544 SINHZJBZAVAOAK-NTEUORMPSA-N 303.408 3.703 50 50 DHGA O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1ccccc1O 1877828 VMIXCWAOAVYLAP-KGENOOAVSA-N 316.360 3.823 50 50 DHGA CCCCCCCCCC(=O)N/N=C/c1ccc(O)c(OC)c1 2167706 GOYPWBFJKDEXHL-XMHGGMMESA-N 320.433 3.992 50 50 DHGA C/C(=N\NC(=O)c1cc(C)n[nH]1)c1ccc(-c2ccccc2)cc1 15913624 RKHWYCLLGVXVTH-KGENOOAVSA-N 318.380 3.539 50 50 DHGA COc1ccc(OC)c(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1 260291 LVOYPTYGBQRRKF-NTEUORMPSA-N 310.309 3.676 50 50 DHGA COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)C(C)(C)C)cc1 17031979 RRVROTLJFDCZHJ-LCYFTJDESA-N 309.369 3.607 50 50 DHGA O=C(Cl)c1c(F)ccc(Br)c1Br 263623807 KWPCRZKMDNKXJC-UHFFFAOYSA-N 316.351 3.730 50 50 DHGA Cc1ccc(NCC(=O)N/N=C\c2ccc3ccccc3c2)cc1 32593026 NYNSLCQDVJAQGF-XKZIYDEJSA-N 317.392 3.710 50 50 DHGA CC[C@H](Br)C(=O)Nc1ccccc1C(F)(F)F 266452 WXSHRCARXLHQGZ-QMMMGPOBSA-N 310.113 3.817 50 50 DHGA N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)NCc1ccco1 33302247 HPMVZCMBUXEOID-WDZFZDKYSA-N 321.163 3.810 50 50 DHGA Cc1ccc(S(=O)(=O)C[C@@H](SC#N)c2ccccc2)cc1 81566 LYGIYIJZXPJYGQ-MRXNPFEDSA-N 317.435 3.724 50 50 DHGA CN(C(=O)CCl)[C@@H](c1ccc(Cl)cc1)C(F)(F)F 1336912647 XXEOODMTARCSOZ-JTQLQIEISA-N 300.107 3.641 50 50 DHGA CCCc1cc(C(=O)N/N=C/c2c[nH]c3ccccc23)cs1 2735655 XKRGCTKHJOQXQW-VXLYETTFSA-N 311.410 3.946 50 50 DHGA C/C(=N\NC(=O)c1cccc(Br)c1)c1cccs1 4579254 LUYXCZFBNFSDMJ-OQLLNIDSSA-N 323.215 3.665 50 50 DHGA Cn1cccc1C(=O)/C(C#N)=C/c1cccc(-c2ccncc2)c1 1875264626 VIZPLUCSNPWKAE-QGOAFFKASA-N 313.360 3.877 50 50 DHGA C[C@@H]1CCCC[C@H]1N(C(=O)CCl)[C@H](C)c1nccs1 1875369807 JKCGQHARFVFGGI-IJLUTSLNSA-N 300.855 3.850 50 50 DHGA CCc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 59241 UXAPDTRWWQUYMR-KRWDZBQOSA-N 322.408 3.700 50 50 DHGA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Cl)c1ccccc1 37388069 RERROMZVNQOYON-CQSZACIVSA-N 304.733 3.822 50 50 DHGA C=CCSC1=C(C#N)[C@@H](c2ccccc2Cl)CC(=O)N1 9110725 JPXLEAFCRFVZNB-LLVKDONJSA-N 304.802 3.598 50 50 DHGA C[C@H](Cl)C(=O)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F 74941409 UOKWUMNSZYQHQO-REOHCLBHSA-N 323.595 3.828 50 50 DHGA CN(C)c1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1 3899797 QNTMIOYOSPBKQS-NTCAYCPXSA-N 302.381 3.703 50 50 DHGA CC(C)(C)OC(=O)N1CCC(CCCBr)CC1 91297544 ANKJSMCUWZFYKF-UHFFFAOYSA-N 306.244 3.809 50 50 DHGA CCOC(=O)/C(C#N)=C/c1ccc(N(C)c2ccccc2)cc1 1425991 VFIUZXHZJRVZDT-DTQAZKPQSA-N 306.365 3.925 50 50 DHGA CO[C@@]1(C)Oc2ccc3ccccc3c2C[C@@H]1Br 3132381 NGGSYMULDIETQY-GJZGRUSLSA-N 307.187 3.901 50 50 DHGA FCCO[C@@H]1CC(F)(F)[C@](F)(C(F)(F)F)C[C@H]1Cl 252586714 SADROALXJFTQPE-QYNIQEEDSA-N 302.617 3.648 50 50 DHGA Cc1cccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)c1C 4974060 FJTGUIQYNJUFJV-NVNXTCNLSA-N 320.348 3.578 50 50 DHGA CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 203832 IWGWSMKLDSKPOO-GOSISDBHSA-N 306.365 3.734 50 50 DHGA Cc1cccc(S(=O)(=O)C[C@@H](SC#N)c2ccccc2)c1 285963 PIZGNDWOVMUGES-MRXNPFEDSA-N 317.435 3.724 50 50 DHGA CCCCNNC(=O)c1ccc(-c2cccc(F)c2F)cc1 1239707465 OSQKWTZHYXRTBG-UHFFFAOYSA-N 304.340 3.666 50 50 DHGA in-vitro COc1ccc(C(=O)NNc2cc(C)nc3c(C)cccc23)cc1 441836 NKVXPHFZULIYTO-UHFFFAOYSA-N 321.380 3.617 50 50 DHGA CN(C)Cc1ccccc1P(c1ccccc1)c1ccccc1 101772646 POILNYUNIDNVDD-UHFFFAOYSA-N 319.388 3.506 50 50 DHGA O=C([C@H](F)Cl)N1CCC[C@@H](c2nc3ccccc3s2)C1 1875328881 PUPDMSHAZOVXTH-SKDRFNHKSA-N 312.797 3.537 50 50 DHGA O=C(CCl)c1c(Nc2ccccc2)c2ccccc2oc1=O 2080385694 XZSRULOGLXZILE-UHFFFAOYSA-N 313.740 3.958 50 50 DHGA C/C(=N/NC(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1ccc2ccccc2c1O 252320672 KTCMMLGFFMETED-ILOPHONNSA-N 322.408 3.822 50 50 DHGA Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)s3)n[nH]2)cc1 9353680 CQBRWQSNWJCWJN-VCHYOVAHSA-N 324.409 3.519 50 50 DHGA O=C(CBr)c1ccc(F)c(C(F)(F)F)c1F 36533785 KWSCRQQYUIUGDN-UHFFFAOYSA-N 303.024 3.561 50 50 DHGA in-vitro Cc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)o1 372790 JOSQDEQCTOSDHM-XDHOZWIPSA-N 312.369 3.673 50 50 DHGA O=C(NNc1ncccc1Cl)c1c(Cl)cccc1Cl 1399823 UBYNSHVHPRVNCP-UHFFFAOYSA-N 316.575 3.799 50 50 DHGA O=C(Cl)c1cc(C(F)(F)F)nn1-c1ccccc1Cl 114906486 KYLBVXFZVFCCJQ-UHFFFAOYSA-N 309.074 3.924 50 50 DHGA CC(C)c1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 48896 DELLLXWWBXYELA-KRWDZBQOSA-N 308.381 3.625 50 50 DHGA COc1ccc(CN(C(=O)CCl)c2ccc(F)cc2)cc1 32208267 HMFODWYIACOFIU-UHFFFAOYSA-N 307.752 3.606 50 50 DHGA CCCCOc1ccc(NC(=O)[C@H](Br)CC)cc1 74941515 OSOIUAHRVNIZJD-CYBMUJFWSA-N 314.223 3.978 50 50 DHGA CCCCCCC[C@@H](O)CCC(=O)N/N=C/c1ccccc1 59706055 IDOXIXHGVVUGCO-VXNZKSKFSA-N 304.434 3.638 50 50 DHGA C/C(=N/NC(=O)CNc1ccc(C)cc1)c1ccc(Cl)cc1 13111388 GBDLUGDZKHILOD-MOSHPQCFSA-N 315.804 3.601 50 50 DHGA C/C(=N\NC(=O)c1cccc(Cl)c1Cl)c1ccccn1 17031657 FBDCGVGPGMCQKV-GIJQJNRQSA-N 308.168 3.542 50 50 DHGA CC(C)(C)OC(=O)NN(CC1CCCC1)C(=O)OC(C)(C)C 1772575840 QVEKOMSZFAPHPS-UHFFFAOYSA-N 314.426 3.853 50 50 DHGA COc1cc(OC)cc(C(=O)Nc2ccc(SC#N)cc2)c1 6697922 FXHRPBPEYBZXEW-UHFFFAOYSA-N 314.366 3.529 50 50 DHGA O=C(Cc1ccccc1)N/N=C/[C@@H]1C[C@H]2C[C@H]1C[C@@H]2C(F)(F)F 252320657 JBSGHVMHMIFLDF-KQWLKRFSSA-N 324.346 3.556 50 50 DHGA C[C@@H]1C=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3)[C@H]2CC1 17143873 DQKXXGBSBSJOGU-DHSIGJKJSA-N 314.392 3.526 50 50 DHGA N#CC(C#N)=Cc1ccn(-c2ccc(OC(F)(F)F)cc2)c1 4049797 LOWPDVUVLSCVRY-UHFFFAOYSA-N 303.243 3.806 50 50 DHGA Cc1cccc(OCC(=O)N/N=C/C[C@@H](C)c2ccccc2)c1C 4647146 QJKSRJUCEKYADD-WMRWHDLOSA-N 324.424 3.978 50 50 DHGA C[C@]1(c2cccs2)CC(c2cccs2)=C(C#N)C(=O)N1 55613 JIMJVNSBQCIKRZ-OAHLLOKOSA-N 300.408 3.522 50 50 DHGA O=C(Cc1ccccc1)NN=C1c2ccccc2-c2ccccc21 276676 PHDAZQDZXNCRIH-UHFFFAOYSA-N 312.372 3.778 50 50 DHGA O=C(Cc1ccc(Cl)cc1)N/N=C/CCc1ccccc1 4997305 WJAFWDDFGZJJGE-XDHOZWIPSA-N 300.789 3.617 50 50 DHGA CC[C@H](Br)C(=O)Nc1ccc(Br)cc1 20805486 YHVVEKDVZHTVBG-VIFPVBQESA-N 321.012 3.561 50 50 DHGA C/C(=N\NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1cccs1 229755 ZDLZNWJEDGDGSH-LDADJPATSA-N 324.409 3.601 50 50 DHGA COc1cc(C=C(C#N)C#N)ccc1OCc1ccccc1C#N 113834416 YANJQDKLYUUEAC-UHFFFAOYSA-N 315.332 3.576 50 50 DHGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1 242707 FYZNTFXOYWJWHN-GIJQJNRQSA-N 323.179 3.523 50 50 DHGA CC(/C=C/c1ccccc1)=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1 12343095 OFFPXSVZSZHNOC-DOMNHXGSSA-N 304.393 3.996 50 50 DHGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 292622 SLECXTABJPKQOK-XDHOZWIPSA-N 319.320 3.512 50 50 DHGA CCC/C=C1\C[C@@H](c2ccccc2)C(C#N)(C#N)C(N)=C1C#N 4855456 ZMVOZSHNPLTJGM-QRMGNNRRSA-N 302.381 3.670 50 50 DHGA COc1ccc(C(=O)N/N=C(\C)c2ccc(Cl)s2)cc1 5005665 GSMVCIIDNCGVFY-CXUHLZMHSA-N 308.790 3.564 50 50 DHGA CNC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 277569 CTBFFEQDOJSXAD-UXBLZVDNSA-N 321.163 3.906 50 50 DHGA C[C@@H](c1ccccc1)[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 121825 IVLHCENRXRAXEK-SJCJKPOMSA-N 322.408 3.774 50 50 DHGA O=C(CCl)Nc1sc(Cl)cc1C(=O)c1ccccc1 334370 QPCGMAMMNKMYQC-UHFFFAOYSA-N 314.193 3.810 50 50 DHGA CC[C@H]1CC[C@H]2CC=C(C)[C@H]3C=CC[C@H]3/C(=N\NC(N)=O)[C@@H]12 71786265 PVOYXBVGZMOKIY-CBBAJVSTSA-N 301.434 3.605 50 50 DHGA CCOC(=O)/C(C#N)=C/c1ccc(-c2cc(C)ccc2OC)o1 4541787 FYVMXUTYVHSTBD-JLHYYAGUSA-N 311.337 3.734 50 50 DHGA O=C1OC(=O)[C@H]2c3c(ccc4ccccc34)[C@@H]3CCCC[C@@H]3[C@H]12 254839710 GMVBBHPSZDEHRJ-BODMPHMZSA-N 306.361 3.910 50 50 DHGA CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 203829 IWGWSMKLDSKPOO-SFHVURJKSA-N 306.365 3.734 50 50 DHGA C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(O)C#N 253500219 ZSLQYHSFAKCANK-MUJBESKKSA-N 311.425 3.549 50 50 DHGA biogenic O=C(CBr)Nc1ccc(OCc2ccccc2)cc1 5872821 WKOMCNHYMXNUNJ-UHFFFAOYSA-N 320.186 3.599 50 50 DHGA O=C(Cl)C1(c2ccccc2)CCN(Cc2ccccc2)CC1 725262387 HMGRMXSNXNWQJU-UHFFFAOYSA-N 313.828 3.986 50 50 DHGA C/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccccc1 254126 RPIWOHCOUJHOJZ-KGENOOAVSA-N 303.365 3.697 50 50 DHGA CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 447417 SAEJKXIVNRNQNT-QGMBQPNBSA-N 324.211 3.871 50 50 DHGA CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)CCl)C(C)(C)O1 1875378150 WKJNLPAOFLNMHR-CQSZACIVSA-N 309.837 3.600 50 50 DHGA CSc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)cc1 439023 MKCUCKLRQJKGTM-VXLYETTFSA-N 309.394 3.654 50 50 DHGA O=C(CCl)NCc1cccc(Oc2ccccc2Cl)c1 1875374369 MGHXQUQUSBUFTC-UHFFFAOYSA-N 310.180 3.987 50 50 DHGA CSc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1 65346 DDFXDCRIPWXMCJ-LICLKQGHSA-N 304.802 3.826 50 50 DHGA FC(F)(Br)[C@@](F)(Cl)CCBr 2147287 RJOGGYLEOPNVJV-GSVOUGTGSA-N 304.331 3.664 50 50 DHGA in-vitro Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(O)c([N+](=O)[O-])c3)nc2c1 22028262 NSMZRSMSOHOMLI-KPKJPENVSA-N 320.308 3.549 50 50 DHGA CCCN(C(=O)c1cccc(-c2noc(CCl)n2)c1)C(C)C 34924936 BSZYKMVHHGJYES-UHFFFAOYSA-N 321.808 3.736 50 50 DHGA C/C(=N\NC(=O)c1csc2c1CCCC2)c1cc(C)oc1C 372532 NBVWCCFMZTZELR-WOJGMQOQSA-N 316.426 3.991 50 50 DHGA N#C/C(=C\c1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 459666 PYOPZLOQMNRRHE-FMIVXFBMSA-N 321.760 3.817 50 50 DHGA C/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1Cl 4712980 YVGIIIAZUKNKCD-XLOQWRIGSA-N 312.800 3.984 50 50 DHGA Cc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 431567 KLWGWMIYMVGVJR-UDWIEESQSA-N 304.349 3.618 50 50 DHGA [O-][n+]1c(CCl)nc2ccc(Cl)cc2c1-c1ccccc1 6116633 KFDNKXWSTFABQT-UHFFFAOYSA-N 305.164 3.927 50 50 DHGA in-vitro Cc1ccc(/C=N\NC(=O)c2cccc(Br)c2)s1 16310532 DHGAPYBAGVHDQN-NVNXTCNLSA-N 323.215 3.583 50 50 DHGA Cc1cccc(O[C@H](C)C(=O)NN=Cc2ccccc2Cl)c1 245241864 SBZIRHWJYFTFTB-CYBMUJFWSA-N 316.788 3.566 50 50 DHGA O=C(O)c1ccccc1SSc1ccccc1C(=O)O 294736 LBEMXJWGHIEXRA-UHFFFAOYSA-N 306.364 3.882 50 50 DHGA biogenic,in-vitro CCSc1nsc(NC(=O)[C@@H](Cl)c2ccccc2)n1 74941564 ZJGBZSQUCUBWGU-VIFPVBQESA-N 313.835 3.569 50 50 DHGA O=C(NN=C1CCC(c2ccccc2)CC1)c1ccc(O)cc1O 64339 MZWPZIKGNMXODZ-UHFFFAOYSA-N 324.380 3.541 50 50 DHGA [C-]#[N+][C@H](c1c(F)cccc1F)S(=O)(=O)c1ccc(C)cc1 100058554 XRZVJWVIFPCZCL-HNNXBMFYSA-N 307.321 3.665 50 50 DHGA CCN1/C(=C(\C#N)C(=O)CCc2ccccc2)Nc2ccccc21 100269676 AYZCURIXTUYGJN-CAPFRKAQSA-N 317.392 3.875 50 50 DHGA CCC(CBr)(CBr)CBr 1602490 HUUMSZPUWMAIHD-UHFFFAOYSA-N 322.866 3.568 50 50 DHGA COc1cccc2c1CC[C@]2(CCl)NC(=O)OC(C)(C)C 725269449 UIERJZLWOYAULY-MRXNPFEDSA-N 311.809 3.600 50 50 DHGA Cc1cccc(/C=N\NC(=O)c2ccccc2-n2cccc2)c1 29763949 AYODXGUHXLQXGL-ZHZULCJRSA-N 303.365 3.550 50 50 DHGA Cc1cc(C(=O)N/N=C/c2cccc(Cl)c2Cl)c(C)o1 228262 QDPNEPSLNOLBKR-REZTVBANSA-N 311.168 3.967 50 50 DHGA Cc1ccc(N(Cc2ccsc2C)C(=O)CCl)c(C)n1 1875374422 PIGYXLVDKCRVKX-UHFFFAOYSA-N 308.834 3.840 50 50 DHGA Cc1cc(C(=O)N/N=C/c2ccccc2C(F)(F)F)c(C)o1 381497 AFLXQBWJPSXVBX-UFWORHAWSA-N 310.275 3.679 50 50 DHGA CCOc1cc(C(=O)Cl)cc(Br)c1OCC 40451477 GJSGSVVDMSRSQX-UHFFFAOYSA-N 307.571 3.626 50 50 DHGA [C-]#[N+][C@H](c1cccc(F)c1F)S(=O)(=O)c1ccc(C)cc1 100058550 WGVYWHBARPHMBW-HNNXBMFYSA-N 307.321 3.665 50 50 DHGA O=C(N/N=C/C=C/c1ccccc1)c1cc(-c2ccccc2)n[nH]1 4159408 YNZSEBRDZMTLQU-ADCWSOHQSA-N 316.364 3.506 50 50 DHGA COc1ccc(-c2nc(C(Cl)Cl)nc3cc(C)nn23)cc1 1775975006 AYKFKODJYKBGED-UHFFFAOYSA-N 323.183 3.585 50 50 DHGA Cc1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccco3)c2C)c1 32181118 DPWDVYGVYLGRMC-NDENLUEZSA-N 321.380 3.759 50 50 DHGA [C-]#[N+]N=P(c1ccccc1)(c1ccccc1)c1ccccc1 100023714 NIDTXBFHPXMXTR-UHFFFAOYSA-N 302.317 3.998 50 50 DHGA in-vitro O=C(CBr)c1c(F)ccc(C(F)(F)F)c1F 258830420 GHZRLPZTPNLZGS-UHFFFAOYSA-N 303.024 3.561 50 50 DHGA O=C(CCl)Nc1cc(C(F)(F)F)ccc1-n1cccc1 4054751 CWICIMYSLSDIPS-UHFFFAOYSA-N 302.683 3.673 50 50 DHGA C/C(=N\NC(=O)c1ccc(Cl)cc1O)c1ccc(Cl)cc1 4953045 LMUYHIYCYGTNRP-GIJQJNRQSA-N 323.179 3.853 50 50 DHGA O=P(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1 100430068 AAYLOGMTTMROGA-UHFFFAOYSA-N 314.271 3.604 50 50 DHGA C/C(=N/NC(=O)c1ccc(O)cc1)c1ccc(Cl)cc1Cl 5002712 DHBMCQYHEXNGGD-NVMNQCDNSA-N 323.179 3.853 50 50 DHGA O=C(Cc1ccccc1)N/N=C/c1ncc(-c2ccccc2)s1 1875260394 MXNUCBANBNLUAG-DEDYPNTBSA-N 321.405 3.503 50 50 DHGA CCOC(=O)c1ccccc1C(Br)Br 196700202 AWLJKEFDGSATPV-UHFFFAOYSA-N 321.996 3.652 50 50 DHGA CCc1ccc(/C=C(\C#N)C(=O)NCc2cccc(Cl)c2)o1 786106660 PHWVNZOXXFFDBZ-UKTHLTGXSA-N 314.772 3.719 50 50 DHGA O=C(N/N=C/c1ccccc1F)c1csc2c1CCCC2 371656 MEXLFAAMHFFHKW-GIJQJNRQSA-N 302.374 3.530 50 50 DHGA C/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1Cl 4712981 YVGIIIAZUKNKCD-POCMXHRASA-N 312.800 3.984 50 50 DHGA O=C(N/N=C/c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 250908 OHVYRDPFLMGQGH-XDHOZWIPSA-N 319.320 3.512 50 50 DHGA O=C(CCl)N[C@H](c1ccc(F)c(C(F)(F)F)c1)C1CC1 1875367660 APVWXXSTYSNKLV-LBPRGKRZSA-N 309.690 3.651 50 50 DHGA Cc1cc(C)c2cc(C=C(C#N)C(=O)C(C)(C)C)c(=O)oc2c1 2049286310 DZXXTNVJVRNJGW-UHFFFAOYSA-N 309.365 3.932 50 50 DHGA COc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1 292951 KIRAHVSUBPUWRO-DEDYPNTBSA-N 304.349 3.612 50 50 DHGA CC(C)(C)c1ccccc1OCCOCCBr 2896110 OVIPAMXWNMHVJW-UHFFFAOYSA-N 301.224 3.774 50 50 DHGA O=C(CCl)N(Cc1ccoc1)c1ccc([C@@H]2CCOC2)cc1 1875374338 LEOVCTAQEXCPJQ-OAHLLOKOSA-N 319.788 3.556 50 50 DHGA CC(C)(NC(=O)[C@H](Br)C(C)(C)C)c1ccccc1 1854714 WZDDLAZXUYIVMU-LBPRGKRZSA-N 312.251 3.848 50 50 DHGA in-vitro CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCl)c2C#N)C1 2379756 CHKOUUBJXUCKJH-VIFPVBQESA-N 310.850 3.948 50 50 DHGA C[C@@H]1C=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3)[C@@H]2CC1 4631760 DQKXXGBSBSJOGU-JOQOYGCGSA-N 314.392 3.526 50 50 DHGA O=P(c1ccccc1)(c1ccccc1)[C@H](O)c1cccs1 159111 HLGUGUNOGBPMDU-KRWDZBQOSA-N 314.346 3.753 50 50 DHGA CCc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)s1 610887 DFHKTBKOMLTKSO-XNTDXEJSSA-N 303.408 3.649 50 50 DHGA CCC(CC)[C@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21 5686612 IPVCPNKDNPVCAK-AWEZNQCLSA-N 308.385 3.683 50 50 DHGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1[C@@H]1CC=CCC1 6648833 MCVNJOHMZSRDEC-IUODEOHRSA-N 318.380 3.603 50 50 DHGA CC(C)(C)[Si](C)(C)O[C@@H](CCO)COCc1ccccc1 169833447 OVWBRTNNISTAFE-INIZCTEOSA-N 310.510 3.976 50 50 DHGA O=C(O)c1cccc(SSc2cccc(C(=O)O)c2)c1 1704344 GFUOAUHUTVPUIJ-UHFFFAOYSA-N 306.364 3.882 50 50 DHGA in-vitro CCC/C=C1\C[C@H](c2ccccc2)C(C#N)(C#N)C(N)=C1C#N 2835868 ZMVOZSHNPLTJGM-SXKJYUOZSA-N 302.381 3.670 50 50 DHGA C[C@H]1Cc2cc(/C=C(/C#N)c3nc4ccccc4[nH]3)ccc2O1 4453703 ZWUPBIAXPGMKAI-GQVHDAKQSA-N 301.349 3.950 50 50 DHGA CCCCCCC[C@@H](O)C[C@@H](CC1CCCCC1)C(=O)NN 8686276 NDZBJQPEBQEDNN-IAGOWNOFSA-N 312.498 3.674 50 50 DHGA COC(=O)N[C@H](Sc1ccc(Cl)cc1)C(Cl)Cl 283745 OOPSOBZLVAZZRL-SECBINFHSA-N 314.621 3.918 50 50 DHGA COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC 12367931 SIPOTHFKLAFEAC-UKTHLTGXSA-N 305.337 3.644 50 50 DHGA CCc1cc2c(cc1/C(C)=N\NC(N)=O)C(C)(C)CCC2(C)C 22023042 ZOKUWCBSYFZEDN-MTJSOVHGSA-N 315.461 3.990 50 50 DHGA Br[C@H]1CCC2(CCCO2)CC[C@@H]1Br 101080692 IWALYINJQBWALK-IUCAKERBSA-N 312.045 3.637 50 50 DHGA C[C@H](c1ccccc1)[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 121835 IVLHCENRXRAXEK-SJKOYZFVSA-N 322.408 3.774 50 50 DHGA CC1=C(C#N)[C@@H](c2ccc(O)cc2)C2=C(CC(C)(C)CC2=O)N1 100220487 BJSGTLXEBNYDQD-QGZVFWFLSA-N 308.381 3.520 50 50 DHGA O=C(NN(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])o1 255714 BIDRDWOISBHOOP-UHFFFAOYSA-N 323.308 3.671 50 50 DHGA CCOc1ccc(/C=N\NC(=O)c2ccc(Cl)s2)cc1 32573584 GGLNGYDCGJPORK-SXGWCWSVSA-N 308.790 3.564 50 50 DHGA Cc1ccsc1/C=N/NC(=O)c1ccc(-n2cccc2)cc1 372798 DICKQDCOOVAMTH-LDADJPATSA-N 309.394 3.611 50 50 DHGA O=C(N/N=C/c1cc2ccccc2nc1Cl)c1cccs1 4210818 AMYQHPGGGDHFAR-RQZCQDPDSA-N 315.785 3.714 50 50 DHGA O=C(N/N=C/c1ccccc1F)c1ccc(Cl)c(Cl)c1 273663 WFYRMWKAUQQEPY-QGMBQPNBSA-N 311.143 3.896 50 50 DHGA O=C(NNc1ccccc1)C(c1ccccc1)c1ccccc1 3110123 IMTRRACINGWQEM-UHFFFAOYSA-N 302.377 3.962 50 50 DHGA C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(O)C#N 253501580 IYGZSTAPMXRITM-OROIVELOSA-N 317.473 3.645 50 50 DHGA ClCCCOc1ccc(CN2CC[C@@H]3OCCC[C@H]3C2)cc1 252488012 IGXFHPWGPDGQLQ-WMZOPIPTSA-N 323.864 3.695 50 50 DHGA O=P(c1ccccc1)(c1ccccc1)[C@@H](O)c1cccs1 159112 HLGUGUNOGBPMDU-QGZVFWFLSA-N 314.346 3.753 50 50 DHGA O=C(CCl)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 506213 JPSFVAQRUAVEMQ-CYBMUJFWSA-N 322.792 3.804 50 50 DHGA C/C(=N\NC(=O)c1cc(C(C)C)n[nH]1)c1cccc2ccccc12 9089442 QLEALSLINMUTNR-DEDYPNTBSA-N 320.396 3.840 50 50 DHGA O=C(O)C(CCBr)(c1ccccc1)c1ccccc1 2379642 GFIYIIRFIODLLU-UHFFFAOYSA-N 319.198 3.842 50 50 DHGA in-vitro O=C(COc1ccccc1Cl)N/N=C/c1ccccc1Cl 566556 WYELAOOVEULZDH-GIJQJNRQSA-N 323.179 3.523 50 50 DHGA Cc1cccc(NC(=O)NNC(=O)c2ccc3ccccc3c2)c1 15952131 NKXRKMSRIDNATC-UHFFFAOYSA-N 319.364 3.615 50 50 DHGA Cc1ccc2nc(/C(C#N)=C/c3ccc4c(c3)OCO4)[nH]c2c1 32520043 JVCRAPAAOAUNJA-NTUHNPAUSA-N 303.321 3.664 50 50 DHGA O=C(c1ccccc1)C(Br)C(=O)c1ccccc1 100179796 BYAJHZYXPBREEK-UHFFFAOYSA-N 303.155 3.516 50 50 DHGA C/C(=N/NC(=O)C1[C@H]2CCCC[C@H]12)c1ccc2ccccc2c1O 100383105 KTCMMLGFFMETED-HEXNSGTLSA-N 322.408 3.822 50 50 DHGA O=C(Nc1ccccc1F)Oc1ccc([N+](=O)[O-])cc1Cl 2173794 URFQVKDMHPUHCN-UHFFFAOYSA-N 310.668 3.998 50 50 DHGA Cc1ccccc1/C=N/NC(=O)[C@@H](C)Nc1cccc(Cl)c1 126338 PMUDTSMGEBMGRG-OTGIAGGSSA-N 315.804 3.599 50 50 DHGA Cc1cc(C)c(C(=O)NNC(=O)c2c(C)cc(C)cc2C)c(C)c1 1675746 SAGKWZFIGYOCNK-UHFFFAOYSA-N 324.424 3.612 50 50 DHGA CCCc1nnc(-n2c(CCl)cc3ccccc3c2=O)s1 334160800 MQJKJTYWDDKZCU-UHFFFAOYSA-N 319.817 3.534 50 50 DHGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2CCc1ccccc1 35061 USIXZOLLUCSZLX-CQSZACIVSA-N 322.408 3.603 50 50 DHGA O=P(O)(O)CCCCCCCCCCBr 96503537 PZKCVYRQOBKBBT-UHFFFAOYSA-N 301.161 3.680 50 50 DHGA CCCCCC(=O)N/N=C(/c1ccccc1)[C@H](O)c1ccccc1 4832700 FCRJKCFCGVLVCD-VZFXBBDVSA-N 324.424 3.821 50 50 DHGA Cn1c(=O)n(C)c2cc(/C=C(/C#N)c3ccc(Cl)cc3)ccc21 12364199 ZSLLGQIIRYZCIT-ZROIWOOFSA-N 323.783 3.595 50 50 DHGA Cc1cc(C)cc(N2C=C(C#N)S(=O)(=O)c3ccccc32)c1 263615817 FIEXWRNPUYQRRT-UHFFFAOYSA-N 310.378 3.594 50 50 DHGA COc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OC 12393016 BANAUEBUBSTRFQ-ZSOIEALJSA-N 310.309 3.676 50 50 DHGA CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC 2531043 YLPGTOIOYRQOHV-UHFFFAOYSA-N 311.853 3.810 50 50 DHGA biogenic,in-vitro CCCOc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1 2896844 LUKYVXVOSDDLIH-XDHOZWIPSA-N 316.788 3.893 50 50 DHGA CC[C@]1(CBr)[C@H]2CC[C@@]1(C)C(=O)[C@H]2Br 254467438 NKQQZBRYEZCKIP-UUTMEEIUSA-N 324.056 3.540 50 50 DHGA C[C@H](NC(=O)/C(C#N)=C\c1nc(Cl)cs1)c1ccccc1 490783557 RCRNSUUZSSREBQ-BZPKPHBRSA-N 317.801 3.581 50 50 DHGA CSC1=C(C#N)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 13162843 KIEPOLAWXWGTHW-ZDUSSCGKSA-N 302.424 3.540 50 50 DHGA C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C#N 253497465 JYCSLUASXDFIEL-IEJRGFGGSA-N 313.441 3.773 50 50 DHGA Cc1onc(-c2ccc(Cl)cc2)c1C(=O)CBr 38548881 HTWBKCKPMMXWLG-UHFFFAOYSA-N 314.566 3.881 50 50 DHGA C/C(=N\NC(=O)COc1c(C)ccc(C)c1C)c1cccs1 289076 UTCCWGMNODBHEB-NBVRZTHBSA-N 316.426 3.593 50 50 DHGA N#CC1=C(N2CCCCC2)c2ccc(-c3ccccc3)n2C1=O 118467 JMXYXYGVEAHENP-UHFFFAOYSA-N 303.365 3.529 50 50 DHGA COC(=O)c1scc(C)c1NC(=O)[C@@H](Cl)c1ccccc1 4104986 KTWNXBMWQHXXHH-NSHDSACASA-N 323.801 3.762 50 50 DHGA O=C1O[C@@H](CCl)CN1C(c1ccccc1)c1ccccc1 526056095 SWRBSDOXXNKHNT-HNNXBMFYSA-N 301.773 3.836 50 50 DHGA CCOC(=O)c1c(NC(=O)C(Cl)Cl)sc(C)c1CC 369985 MFNQZCXKTGHPGZ-UHFFFAOYSA-N 324.229 3.538 50 50 DHGA CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@]23CC(=O)C[C@H]2CC(=O)[C@@H]13 169830710 XRBGZCJGKNZIRP-MQVNZCODSA-N 308.494 3.725 50 50 DHGA Cc1[nH]c2ccccc2c1/C=C(/C#N)C(=O)NCc1ccccc1 13736717 DWMCRHSIZLSSQY-WJDWOHSUSA-N 315.376 3.700 50 50 DHGA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C#N 253501582 JYCSLUASXDFIEL-XSEPRYCASA-N 313.441 3.773 50 50 DHGA biogenic CSC1=C(C#N)[C@H](c2ccccc2C)C2=C(CCCC2=O)N1 458659 LESLKSMNCPULDI-INIZCTEOSA-N 310.422 3.787 50 50 DHGA O=C(N/N=C(/Cc1ccccc1)C(F)(F)F)c1ccccc1 4964231 GNWQVTOUCQSGTK-ZHZULCJRSA-N 306.287 3.577 50 50 DHGA CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@]23CC(=O)C[C@H]2CC(=O)[C@H]13 169830702 XRBGZCJGKNZIRP-OFSOMGBPSA-N 308.494 3.725 50 50 DHGA Cc1cc(C(=O)N/N=C/c2ccc(Cl)cc2)c2ccccc2n1 254144 IHOFQRGLDNIEAC-RGVLZGJSSA-N 323.783 3.961 50 50 DHGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C)s3)[nH]n2)cc1 5317579 YSGSUQVARDVRII-VCHYOVAHSA-N 324.409 3.519 50 50 DHGA Cn1cccc1/C=N/NC(=O)c1sc2ccccc2c1Cl 434762 NTDQXUAJFQMTIU-RQZCQDPDSA-N 317.801 3.657 50 50 DHGA N#C/C(=C\c1ccc(-c2nc3ccccc3s2)o1)C(N)=S 541501 DCGNIODAIUWLIW-VQHVLOKHSA-N 311.391 3.749 50 50 DHGA O=C(Cc1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccccc12 433204 CJIOGAZAFHGGEP-RGVLZGJSSA-N 311.772 3.514 50 50 DHGA O=C(N/N=C/c1ccccn1)c1sc2ccccc2c1Cl 438381 HTQZYIIYSDEKEQ-GIJQJNRQSA-N 315.785 3.714 50 50 DHGA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCl)c2C#N)C1 2740841 CHKOUUBJXUCKJH-SECBINFHSA-N 310.850 3.948 50 50 DHGA COC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 59699229 SDMCZCALYDCRBH-UHFFFAOYSA-N 307.353 3.584 50 50 DHGA in-vitro CC(C)S[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C 169794893 MHFRLOKXBCAXIH-NTZNESFSSA-N 303.544 3.610 50 50 DHGA COc1cc(/C=C(/C#N)c2cccc(C)c2)c([N+](=O)[O-])cc1OC 4834501 HXLNYCZMGLSBJZ-NVNXTCNLSA-N 324.336 3.985 50 50 DHGA CCOc1ccc(C(=O)N/N=C/c2ccc(SC)cc2)cc1 288717 ZAYBQKZGEHNINO-LDADJPATSA-N 314.410 3.571 50 50 DHGA CC[C@@H](Br)C(=O)Nc1ccc(Br)cc1 20805482 YHVVEKDVZHTVBG-SECBINFHSA-N 321.012 3.561 50 50 DHGA CCCN[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101017733 KMXRKERHOXSVGL-UHFFFAOYSA-N 320.396 3.895 50 50 DHGA N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(N)=O 69412 SHHZMUBMTDZOKM-VMPITWQZSA-N 307.136 3.646 50 50 DHGA O=C(c1ccccc1)[C@@H]1O[C@]1(CBr)c1ccccc1 1672805 PNXBIYWYSDILPG-JKSUJKDBSA-N 317.182 3.559 50 50 DHGA CCOc1ccc(C(=O)N/N=C/c2c(C)cc(C)cc2C)cc1 250983 VYJJJBSQKQDHIM-UDWIEESQSA-N 310.397 3.774 50 50 DHGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1c(O)ccc2ccccc12 245227009 WCISRAYKVLSOCG-LDEZXBAHSA-N 322.408 3.822 50 50 DHGA CSC1=C(C#N)[C@@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 20064725 PVZPWCWIMKDEEN-MRXNPFEDSA-N 310.422 3.787 50 50 DHGA Cc1ccc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1 42585 PTUUTVXZJUWPEC-KRWDZBQOSA-N 322.408 3.754 50 50 DHGA Cc1ccc(P(c2ccc(C)cc2)c2ccccc2C=O)cc1 100007814 IDDRQJVTYBKJLP-UHFFFAOYSA-N 318.356 3.874 50 50 DHGA O=C(N/N=C/c1ccc(Br)s1)Nc1ccccc1 250729 RBOAORKWIWDRTR-RIYZIHGNSA-N 324.203 3.666 50 50 DHGA NNC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34 2565800 SOPPDVMSOKMZOC-UHFFFAOYSA-N 302.377 3.897 50 50 DHGA Cc1cc(Cl)ccc1NCC(=O)N/N=C1/CCCC[C@H]1C 32496162 MTIDDJZDQHDDMH-QNPMFDGYSA-N 307.825 3.743 50 50 DHGA Cc1ccc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1 42586 PTUUTVXZJUWPEC-QGZVFWFLSA-N 322.408 3.754 50 50 DHGA Nc1c(C(=O)c2ccccc2)oc2c(OCCCl)cccc12 43191086 FJPYFFATSUVWJT-UHFFFAOYSA-N 315.756 3.864 50 50 DHGA C[C@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)N(C)C 100032645 VJYQTMNDWOEPIV-QGZVFWFLSA-N 320.396 3.802 50 50 DHGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccccc2)c1 64213 MSAAFIXODUWHQO-UDWIEESQSA-N 310.397 3.648 50 50 DHGA CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1 227361 GNBHFBVTSNANPE-IBGZPJMESA-N 319.408 3.533 50 50 DHGA CC(C)(C)[Si](C)(C)OCCn1cc(Br)cn1 169905202 QPJSLFGBOVFHAF-UHFFFAOYSA-N 305.292 3.667 50 50 DHGA in-vitro O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccccc1 247645 YPDKCXAAJGBTLT-YBFXNURJSA-N 309.756 3.652 50 50 DHGA O=C(NCCCl)c1ccc(OCc2ccccc2)cc1Cl 6223253 SQQYFBHYKALEFH-UHFFFAOYSA-N 324.207 3.888 50 50 DHGA O=C(CP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 3105863 VCPZZWOAQNHOLZ-UHFFFAOYSA-N 320.328 3.883 50 50 DHGA C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cc(C)ccc1C 13328407 RBUDIAGWUDXTQK-SNXZXXCMSA-N 306.409 3.947 50 50 DHGA C[C@@H](Br)C(=O)NC(c1ccccc1)c1ccccc1 5696549 BWWZRZUTRVKSCW-GFCCVEGCSA-N 318.214 3.676 50 50 DHGA CCSC1=C(C#N)[C@H](c2ccc(C)o2)C(C(C)=O)=C(C)N1 13281932 APNMYGJKULCVJJ-OAHLLOKOSA-N 302.399 3.626 50 50 DHGA C/C(=N\NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)C1CC1 12343081 GJZWOUBPHCXYBK-QTCOBDOFSA-N 318.420 3.895 50 50 DHGA CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)C(C(=O)O)=C(C)N1 34446520 VGBXGYFTDMLZPD-AWEZNQCLSA-N 322.286 3.548 50 50 DHGA COc1ccc(C(=O)N/N=C/C(C)=C\c2ccccc2)cc1OC 370094 ALVVCWPXXOKABF-HXISEIJMSA-N 324.380 3.523 50 50 DHGA Cc1ccc(/C=N/NC(=O)[C@H](C)Nc2cccc3ccccc23)o1 234878 FOSQHQIAUHJGNS-PVGUKEHMSA-N 321.380 3.692 50 50 DHGA C=CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1 3150844 SKWXZWHYOBVKBP-XDHOZWIPSA-N 314.772 3.669 50 50 DHGA C/C(=N\NC(=O)c1ccc(C(F)(F)F)cc1)c1cccs1 5494656 GMLKZGPXKXAOFM-GIJQJNRQSA-N 312.316 3.921 50 50 DHGA N#C/C(=C/c1cccc(Cl)c1)c1nc2ccccc2c(=O)[nH]1 9972292 ZLVDURJQJNDVPT-WQLSENKSSA-N 307.740 3.641 50 50 DHGA [C-]#[N+][C@@H](c1ccc(F)cc1F)S(=O)(=O)c1ccc(C)cc1 59705738 JULOFCZKOQFMRJ-OAHLLOKOSA-N 307.321 3.665 50 50 DHGA Cc1cc(OCC(=O)NNc2ccc(F)cc2)ccc1C(C)C 888093046 SMRRRFTXDIOFKL-UHFFFAOYSA-N 316.376 3.780 50 50 DHGA C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@](O)(C#N)[C@@]3(C)CC[C@H]12 253501581 IYGZSTAPMXRITM-YNXAUACVSA-N 317.473 3.645 50 50 DHGA C/C(=N\NC(=O)c1sccc1-n1cccc1)c1cccs1 5621001 LBDPMBYTBZOACC-LFIBNONCSA-N 315.423 3.754 50 50 DHGA O=C(Cl)c1c(Br)ccc(Br)c1F 263624801 UIYBNQLWIDGGCH-UHFFFAOYSA-N 316.351 3.730 50 50 DHGA Cc1csc(CN(C(=O)CCl)c2cccc(F)c2C)n1 1875375562 DTMSQSSSNXYIRZ-UHFFFAOYSA-N 312.797 3.671 50 50 DHGA CC(C)(C)c1cc(C(=O)N/N=C/c2cccc3ccccc23)[nH]n1 264690 GUPRKIYLVPFMTQ-UDWIEESQSA-N 320.396 3.624 50 50 DHGA CC(C)(C)c1cc(/C=N/C(C#N)=C(\N)C#N)cc(C(C)(C)C)c1O 2562061 KLWIFDHKAUSHPN-RJAHHLEYSA-N 324.428 3.624 50 50 DHGA O=C(Cl)c1c(Br)ccc(F)c1Br 263622801 AZPZXKSDHYMJAT-UHFFFAOYSA-N 316.351 3.730 50 50 DHGA O=C(NNc1nc(-c2ccccc2)cs1)c1ccc(F)cc1 1402116 OSIXPKNHIKVRFE-UHFFFAOYSA-N 313.357 3.706 50 50 DHGA O=C(CCCl)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F 74941589 QMPVWKWEMXXYMJ-UHFFFAOYSA-N 323.595 3.829 50 50 DHGA CC1CCC(=NNC(=O)c2ccccc2Br)CC1 231873 WGRNQOHVPNOBRD-UHFFFAOYSA-N 309.207 3.745 50 50 DHGA CC(C)(C)OC(=O)n1cnc2c(CBr)cccc21 34741359 RJQPRKXEVWZMAO-UHFFFAOYSA-N 311.179 3.714 50 50 DHGA CC(C)c1ccc(/C=N\NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1 32617920 WRYNAQXBQOIADY-ODLFYWEKSA-N 312.417 3.595 50 50 DHGA Cc1nc2ccccc2c2c1[C@H](c1cccs1)C(C#N)=C(N)O2 4051132 JSYCXHHAYGOEJG-INIZCTEOSA-N 319.389 3.823 50 50 DHGA C[C@@H]1C=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3)[C@H]2CC1 4631758 DQKXXGBSBSJOGU-YEWWUXTCSA-N 314.392 3.526 50 50 DHGA C#CCOc1ccc(/C=C(/C#N)c2cccc(F)c2)cc1OC 12393087 HELZTMGZRPBOQE-YBEGLDIGSA-N 307.324 3.910 50 50 DHGA COc1ccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 100220498 NQYVUNVQBLRMBI-SFHVURJKSA-N 322.408 3.823 50 50 DHGA Cc1ccccc1/C=N/NC(=O)c1ccc(Br)cc1 65441 JSQAAAPXIMEGPF-LICLKQGHSA-N 317.186 3.521 50 50 DHGA O=C(NN(C(=O)c1ccccc1)c1ccccc1)c1ccccc1 154595 BPFADLIZCSFOBZ-UHFFFAOYSA-N 316.360 3.678 50 50 DHGA O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 431441 POCMNVJKUHZHFQ-VCHYOVAHSA-N 307.180 3.686 50 50 DHGA CN(C(=O)OC(C)(C)C)c1ccc(CBr)cc1 95775471 IGBCEYQSLOZQTO-UHFFFAOYSA-N 300.196 3.953 50 50 DHGA C/C(=N\NC(=O)COc1cccc2ccccc12)c1cccs1 4964343 ZZMKSPISXRSTPS-CPNJWEJPSA-N 324.405 3.821 50 50 DHGA CCO[Si](CCC/N=C(\C)CC(C)C)(OCC)OCC 195897075 PRKPGWQEKNEVEU-FOCLMDBBSA-N 303.519 3.932 50 50 DHGA O=C(Cc1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 298550 VYZWRDWAGCDDDI-VCHYOVAHSA-N 307.180 3.686 50 50 DHGA FC(F)(F)c1ccnc(Br)c1CBr 238576817 ZJMOHIBTHPLDCY-UHFFFAOYSA-N 318.918 3.758 50 50 DHGA C/C(=N\NC(=O)COc1ccc2ccccc2c1)c1cccs1 4964364 TUSJMSKRPNVCBE-CPNJWEJPSA-N 324.405 3.821 50 50 DHGA N#C/C(=C/c1c(Cl)cccc1Cl)C(=O)NCc1ccco1 33339403 NADXPHWGPJANJS-YFHOEESVSA-N 321.163 3.810 50 50 DHGA O=C1[C@H](Cl)[C@@H](CCl)CN1c1cccc(C(F)(F)F)c1 323063 OQZCSNDVOWYALR-OIBJUYFYSA-N 312.118 3.514 50 50 DHGA biogenic,in-vitro CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1c(Cl)cccc1Cl 289865 LOENFOFWLLFAIZ-ZDUSSCGKSA-N 323.179 3.664 50 50 DHGA COc1cccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c1F 195501975 AMCOXPZTDHPKAO-KWWJGWKXSA-N 324.355 3.619 50 50 DHGA C/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1ccco1 218705 HCYHKWLQZXDKLC-XMHGGMMESA-N 314.385 3.631 50 50 DHGA C[C@@H](C[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2)c1ccccc1 278408 WOQHBGASMYHOTP-JSGCOSHPSA-N 308.381 3.528 50 50 DHGA C/C(=N/NC(=O)c1ccccc1)c1ccc(Br)cc1 12342912 STNJZXKRMZTRLU-BOPFTXTBSA-N 317.186 3.603 50 50 DHGA COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(Cl)c1O 16195027 NZYOGSPBUAQHCA-NSIKDUERSA-N 310.740 3.990 50 50 DHGA COC[C@H](CBr)c1ccc(Br)cc1 160798684 IJRABZMYCVLMAO-VIFPVBQESA-N 308.013 3.574 50 50 DHGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccncc1 255773 NEDUWEMEHLKZIP-KGENOOAVSA-N 317.348 3.638 50 50 DHGA Cc1cccc(O[C@@H](C)C(=O)NN=Cc2ccccc2Cl)c1 245241865 SBZIRHWJYFTFTB-ZDUSSCGKSA-N 316.788 3.566 50 50 DHGA FC(F)(F)c1c(CBr)ccnc1Br 238563164 ANLHOWDMQJWCAX-UHFFFAOYSA-N 318.918 3.758 50 50 DHGA CC1=C(C#N)C(=C(C#N)C#N)O[C@@]1(c1ccccc1)C(F)(F)F 73159043 HALXLBYMOUPGRG-HNNXBMFYSA-N 315.254 3.616 50 50 DHGA CCOC(=O)c1cc(Br)ccc1CBr 88247556 PHSGNAVTTZJUOE-UHFFFAOYSA-N 321.996 3.521 50 50 DHGA N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)O 189472 XADVNLBBCXPGHT-YFHOEESVSA-N 318.126 3.701 50 50 DHGA CSc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1 439899 HDTRFKCDFVSYFY-WOJGMQOQSA-N 318.829 3.755 50 50 DHGA O=C(c1ccccc1)c1ccccc1NC(=O)C(Cl)Cl 101362304 CLLSVYVDXOXOKV-UHFFFAOYSA-N 308.164 3.660 50 50 DHGA CCOc1ccccc1/C=N\NC(=O)c1ccc(Cl)s1 32573585 SFQVSJCKTQMPEO-SXGWCWSVSA-N 308.790 3.564 50 50 DHGA Cc1ccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)s1 19732990 LQEJIBRSVQNUMB-XJKSGUPXSA-N 320.421 3.650 50 50 DHGA Cc1cc(C(=O)N/N=C/C=C(/Cl)c2ccccc2)c(C)o1 5679452 QTRQYWRDZQVPOP-DUAZVESASA-N 302.761 3.892 50 50 DHGA O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)[C@H](F)Cl 2325898302 ZXYLVFNORYCELP-LBPRGKRZSA-N 316.666 3.625 50 50 DHGA CSC1=C(C#N)[C@H](c2cccs2)C2=C(CCCC2=O)N1 4624189 KIEPOLAWXWGTHW-CYBMUJFWSA-N 302.424 3.540 50 50 DHGA C[C@@H]1Cc2cc(/C=C(/C#N)c3nc4ccccc4[nH]3)ccc2O1 4453702 ZWUPBIAXPGMKAI-DYTQJMLRSA-N 301.349 3.950 50 50 DHGA CCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2OCC)o1 4541837 XPKFXUSIKLORSH-ACCUITESSA-N 311.337 3.815 50 50 DHGA CCc1ccc(/C(C)=N/NC(=O)c2c[nH]c3ccccc23)s1 5020921 ZHXCJSUYNKTRQE-YBFXNURJSA-N 311.410 3.946 50 50 DHGA O=C(COc1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1 5947448 WIVTYSBESSLJRW-GIJQJNRQSA-N 323.179 3.523 50 50 DHGA C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1c[nH]c2ccccc12 5093216 CYEUGSKYWPJIIH-GSWOYPRGSA-N 307.397 3.770 50 50 DHGA Cc1ccc(Oc2ccccc2CCNC(=O)[C@H](F)Cl)cc1 2325898224 XQYUBYKSIHAYLV-INIZCTEOSA-N 321.779 3.980 50 50 DHGA Cc1ccc2[nH]c(/C(C#N)=C\c3ccc4c(c3)OCCO4)nc2c1 5028037 BGZHRFADPIFKBP-ZROIWOOFSA-N 317.348 3.707 50 50 DHGA C=CCSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1 9088967 GUSUPKIOFOMKAH-LBPRGKRZSA-N 304.802 3.598 50 50 DHGA N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1[C@@H]1C=CCCC1 549301 FWVRQEYFMLFVCZ-IUODEOHRSA-N 318.380 3.603 50 50 DHGA Cc1ccc(Oc2ccccc2CCNC(=O)[C@@H](F)Cl)cc1 2325898225 XQYUBYKSIHAYLV-MRXNPFEDSA-N 321.779 3.980 50 50 DHGA O=C(N/N=C/c1cccc(F)c1)c1csc2c1CCCC2 355564 FXGPZKOMGUCXQE-GIJQJNRQSA-N 302.374 3.530 50 50 DHGA Cc1cccc2c1NC(=O)/C2=C(\C#N)c1nc2ccccc2s1 4694789 KOUMGUOCEYMRNM-NTCAYCPXSA-N 317.373 3.991 50 50 DHGA CCOC(=O)c1ccc(NC(=O)[C@H](Cl)c2ccccc2)cc1 74941554 FDYLKGKFVPWBJE-OAHLLOKOSA-N 317.772 3.782 50 50 DHGA O=C(CCl)N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 1875375043 OVUJCZIGNGPVGI-NEPJUHHUSA-N 305.727 3.697 50 50 DHGA C[C@H](Br)[C@@H](Br)c1ccccc1[N+](=O)[O-] 3136377 KNWSETUUNBNVIV-IMTBSYHQSA-N 322.984 3.814 50 50 DHGA CCOC(=O)[C@@H](Br)c1ccc(Cl)c(Cl)c1 2528623 YFJFMJXQSOSNLE-VIFPVBQESA-N 311.990 3.993 50 50 DHGA O=C(COc1ccc(Cl)cc1)N/N=C/C=C/c1ccccc1 3150892 VVJIFNQVOHVIQH-MZBBQUMVSA-N 314.772 3.534 50 50 DHGA CC(/C=C/c1ccccc1)=N\NC(=O)COc1ccccc1C 4372751 IDMNGUDELRCJHX-QHRGAKLKSA-N 308.381 3.579 50 50 DHGA CCOc1ccc(N/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 13004614 GHQLXDWMQRFFJV-OUKQBFOZSA-N 304.353 3.938 50 50 DHGA O=C(CBr)c1ccc(C(F)(F)F)c(F)c1F 16158762 QGWZRHNUOZSQOK-UHFFFAOYSA-N 303.024 3.561 50 50 DHGA CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@]23CC(=O)C[C@H]2CC(=O)[C@@H]13 169830707 XRBGZCJGKNZIRP-UTNFCUCBSA-N 308.494 3.725 50 50 DHGA CCCN(C(=O)[C@H](C)Cl)[C@@H]1C[C@H](OCC)C12CCCC2 1875364414 PEZAYTCHBPQJCO-MJBXVCDLSA-N 301.858 3.590 50 50 DHGA CC(C)(C)OC(=O)N/N=C(\Cc1ccccc1)NC1CCCC1 66323348 FTUYJXGLXGMEGL-UHFFFAOYSA-N 317.433 3.600 50 50 DHGA C#C[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 208914056 XVWMRMBMFLQMJZ-KRWDZBQOSA-N 308.497 3.585 50 50 DHGA O=C(CCl)NCc1ccccc1COc1ccccc1Cl 1319785457 BMHWROWPKIFFOO-UHFFFAOYSA-N 324.207 3.774 50 50 DHGA CCOC(=O)/C(C#N)=C/c1c(OCC)n(CC)c2ccccc12 227534 OHGSVGPEOIZQDE-ACCUITESSA-N 312.369 3.530 50 50 DHGA O=C(NNC(=O)c1cccc2ccccc12)c1cccc(Cl)c1 435973 YLTYDAQGPZVZCA-UHFFFAOYSA-N 324.767 3.568 50 50 DHGA C[C@@H](Br)[C@@H](Br)c1ccccc1[N+](=O)[O-] 4576594 KNWSETUUNBNVIV-HZGVNTEJSA-N 322.984 3.814 50 50 DHGA CC[C@H](Br)C(=O)N1CCC(Cc2ccccc2)CC1 32919924 AHRXIRJITLECJP-HNNXBMFYSA-N 324.262 3.641 50 50 DHGA N#CSc1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 611854 AIDVXMRICOVVEW-UHFFFAOYSA-N 324.814 3.714 50 50 DHGA Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2ccc2cccnc32)cc1 208782 ZWSCNYBAYYLQHG-QGZVFWFLSA-N 313.360 3.761 50 50 DHGA CC(/C=N/NC(=O)COc1cccc(C)c1)=C\c1ccccc1 2896292 UKWONKDWNFHSPZ-NWDFCGOISA-N 308.381 3.579 50 50 DHGA CC1=C(C#N)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 19912815 PSXWJDFMOXENGN-KRWDZBQOSA-N 310.372 3.953 50 50 DHGA O=C(NNC(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 435939 GFIYISWSUOZJHK-UHFFFAOYSA-N 324.767 3.568 50 50 DHGA CC(C)(C)OC(=O)n1nc(CBr)c2ccccc21 89157327 UKADXNQNCAFGTF-UHFFFAOYSA-N 311.179 3.714 50 50 DHGA COc1ccccc1/C=N/NC(=O)Cc1cccc2ccccc12 301133 NMAITFSDRRIAOR-KGENOOAVSA-N 318.376 3.541 50 50 DHGA O=C(N/N=C/c1cccs1)c1cc(C2CC2)nc2ccccc12 372563 BAJHGGSKEYJGLC-YBFXNURJSA-N 321.405 3.938 50 50 DHGA CP(C)(=O)CCP(=O)(c1ccccc1)c1ccccc1 301390 RHWVPNSWQJSSNG-UHFFFAOYSA-N 306.282 3.623 50 50 DHGA C[C@H](NP1(=O)N(C)[C@@H]2CCCC[C@H]2N1C)c1ccccc1 100199810 NEVIAYVVEZMXAO-NUEKZKHPSA-N 307.378 3.634 50 50 DHGA COc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(F)c1 3132014 SIWJAYQZNZEDCM-CIAFOILYSA-N 322.339 3.751 50 50 DHGA Cc1cncc(N(Cc2ccc(F)cc2)C(=O)[C@H](C)Cl)c1 1875376193 OPSKGBXKIIRNAK-LBPRGKRZSA-N 306.768 3.690 50 50 DHGA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C#N 253499571 JYCSLUASXDFIEL-DWIKVQACSA-N 313.441 3.773 50 50 DHGA biogenic Fc1cc(Br)c(CBr)c(F)c1F 307508741 AZONGEFKVBZQLH-UHFFFAOYSA-N 303.903 3.761 50 50 DHGA Cc1ccc(O[C@@H](C)C(=O)N/N=C/c2ccccc2Cl)cc1 93846 LMQNEPLEAYATDC-MDBUFAAASA-N 316.788 3.566 50 50 DHGA CCCOc1ccc(C(=O)N/N=C/c2ccc(C)cc2C)cc1 2897975 AEISXJNXCBLMAW-DEDYPNTBSA-N 310.397 3.856 50 50 DHGA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cl)c1ccccc1 37388070 RERROMZVNQOYON-AWEZNQCLSA-N 304.733 3.822 50 50 DHGA CO[C@@H]1CC[C@@H]2CCN3CCC(CCl)=C(CCCl)[C@@]23C1 4533082 SJVALRLGJXCADE-IIAWOOMASA-N 318.288 3.814 50 50 DHGA O=C(NNc1ccc(F)cc1)Nc1cccc(OC(F)F)c1 132116877 BPFAEIHWGWOCSH-UHFFFAOYSA-N 311.263 3.576 50 50 DHGA Cc1ccccc1/C=N/NC(=O)c1cccc(Br)c1 298304 JTPFVPFIULCPOO-LICLKQGHSA-N 317.186 3.521 50 50 DHGA Cc1cc(NC(=O)/C(C#N)=C(\O)C2CC2)ccc1C(F)(F)F 97730339 GDHFOVCRYCPOTK-QBFSEMIESA-N 310.275 3.698 50 50 DHGA in-man Cc1cc(CN(C(=O)CCl)c2csnc2C)cs1 1875382450 BMOJJBCVLFZROS-UHFFFAOYSA-N 300.836 3.593 50 50 DHGA Cc1ccc(O[C@H](C)C(=O)N/N=C/c2ccccc2Cl)cc1 93853 LMQNEPLEAYATDC-OTGIAGGSSA-N 316.788 3.566 50 50 DHGA Cc1ccccc1NC(=O)NNC(=O)c1ccc2ccccc2c1 15933957 YKGHSQPGJOFYJA-UHFFFAOYSA-N 319.364 3.615 50 50 DHGA CCC[C@@H](C)[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 6648838 QHLXGBMYFXBSJF-BXUZGUMPSA-N 308.385 3.683 50 50 DHGA CCOC(=O)[C@H](Br)c1ccc(Cl)c(Cl)c1 22008269 YFJFMJXQSOSNLE-SECBINFHSA-N 311.990 3.993 50 50 DHGA CC1=C(C#N)[C@@H](c2nc(C)cs2)C2=C(CC(C)(C)CC2=O)N1 25695142 UHQUVSKMHCZTKN-CQSZACIVSA-N 313.426 3.579 50 50 DHGA FC(F)(F)c1cc(CBr)cc(Br)n1 238566517 OOCLPTNCBUNYCN-UHFFFAOYSA-N 318.918 3.758 50 50 DHGA Cc1ccc(S(=O)(=O)C(C#N)=CC=Cc2ccccc2)cc1 2040691036 RNAXYUYWYNEOJE-UHFFFAOYSA-N 309.390 3.890 50 50 DHGA Cc1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799751191 QEMZSRKGMBGFPY-UHFFFAOYSA-N 319.286 3.642 50 50 DHGA O=C(COc1ccccc1Cl)N/N=C/c1cccc(Cl)c1 566546 MLPBFULWVGULQZ-GIJQJNRQSA-N 323.179 3.523 50 50 DHGA CCCCCCCCCC(=O)N/N=C/c1cccc(OC)c1O 102301086 PCRDTUVZEVWRSA-XMHGGMMESA-N 320.433 3.992 50 50 DHGA C/C(C#N)=C\CSc1nnc(-c2ccccc2F)n1C1CC1 952994505 PXFZKKVVEKSWIK-DHZHZOJOSA-N 314.389 3.981 50 50 DHGA Cc1cccc(S(=O)(=O)C[C@H](SC#N)c2ccccc2)c1 285962 PIZGNDWOVMUGES-INIZCTEOSA-N 317.435 3.724 50 50 DHGA O=C(CCl)Oc1ccc2occ(C(=O)c3cccs3)c2c1 59845 RKKDEYVFZYRWJR-UHFFFAOYSA-N 320.753 3.870 50 50 DHGA [C-]#[N+][C@@H](c1c(F)cccc1F)S(=O)(=O)c1ccc(C)cc1 100058556 XRZVJWVIFPCZCL-OAHLLOKOSA-N 307.321 3.665 50 50 DHGA O=C(NNc1cccc(Cl)n1)c1c(Cl)cccc1Cl 1395802 WKJPUTXQBJWGMW-UHFFFAOYSA-N 316.575 3.799 50 50 DHGA C[C@H](c1ccccc1)[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 121830 IVLHCENRXRAXEK-PXAZEXFGSA-N 322.408 3.774 50 50 DHGA COc1ccc([C@@H](C#N)O[Si](C)(C)C)cc1Br 169925876 MSLJWUFQHHZIRU-GFCCVEGCSA-N 314.255 3.874 50 50 DHGA in-vitro O=C(O)c1ccc(SSc2ccc(C(=O)O)cc2)cc1 1745667 GAMSSMZJKUMFEY-UHFFFAOYSA-N 306.364 3.882 50 50 DHGA in-vitro CCOC(=O)/C(C#N)=C/c1cc(-c2ccc(OC)cc2)cs1 4541902 CSFVASLDYVTYHA-MDWZMJQESA-N 313.378 3.894 50 50 DHGA CC1=C(C#N)C(c2ccc(Br)cc2)C(C#N)=C(C)N1 19594364 HBRVIPLOTXDCOP-UHFFFAOYSA-N 314.186 3.731 50 50 DHGA O=[N+]([O-])c1ccc2c(c1)c1ccccc1n2COCCCl 23114801 YAYGKACYXYXBGJ-UHFFFAOYSA-N 304.733 3.916 50 50 DHGA CCCOc1cc(Br)c(C(=O)Cl)cc1OC 40451479 IOOXIODMIKUGFO-UHFFFAOYSA-N 307.571 3.626 50 50 DHGA C/C(=N/NC(=O)C1[C@@H]2CCCC[C@@H]12)c1ccc2ccccc2c1O 100383114 KTCMMLGFFMETED-SJJRUYGKSA-N 322.408 3.822 50 50 DHGA C#CCOc1ccc(OC)cc1/C=C(/C#N)c1cccc(C#N)c1 16448893 ZCMAGWZABMSRPM-WQRHYEAKSA-N 314.344 3.643 50 50 DHGA C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(O)C#N 253501579 IYGZSTAPMXRITM-NQLGEQKOSA-N 317.473 3.645 50 50 DHGA Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)o1 389915 AZYPGZOLCYDJNR-KRWDZBQOSA-N 302.333 3.959 50 50 DHGA C[C@@H](O)CCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 22017331 RMWOXUSEQDJRKX-CNRHGSOZSA-N 320.392 3.604 50 50 DHGA Cc1ccccc1NCC(=O)N/N=C\c1ccc(C(C)(C)C)cc1 32603876 DRMUZQNCRCATHC-XKZIYDEJSA-N 323.440 3.855 50 50 DHGA N#Cc1c(NC(=O)CCl)sc2c1CCc1ccccc1-2 74941655 AUKQUKFLVMAESM-UHFFFAOYSA-N 302.786 3.563 50 50 DHGA O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@@H]1[C@H]2CCCC[C@H]21 253390388 LZEFTSFXJKGUHN-SOXDFASRSA-N 311.212 3.880 50 50 DHGA COc1cccc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)c1O 4978975 LRJNPXZIAFLRHX-UKTHLTGXSA-N 305.337 3.650 50 50 DHGA Cc1cc(C)c(C(=O)CBr)c(Br)c1 90627391 XZTGWLXJXCOBJM-UHFFFAOYSA-N 305.997 3.644 50 50 DHGA in-vitro COC(=O)c1cc2cc(N(CCCl)CCCl)ccc2o1 214494301 LECJRHJHOOIYRZ-UHFFFAOYSA-N 316.184 3.503 50 50 DHGA O=C(Cl)c1cc(F)cc(Br)c1Br 263623177 FJXBFEPUUHTZRF-UHFFFAOYSA-N 316.351 3.730 50 50 DHGA C[C@@H](Cl)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 1875364038 ATHYVRLOTGIMBF-NOZJJQNGSA-N 311.859 3.911 50 50 DHGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cccc2ccccc12 70983 FHUZCSSBSXJQNZ-SFHVURJKSA-N 316.360 3.655 50 50 DHGA O=C(CCl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 164241 HDXLZRWEZZFDKA-UHFFFAOYSA-N 308.164 3.748 50 50 DHGA in-vitro CC(C)(C)[Si](C)(C)O[C@H]1CCN(Cc2ccccc2)C1=O 306145178 ARDPGPVTKBUHAL-HNNXBMFYSA-N 305.494 3.809 50 50 DHGA Cc1ccc(C(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1 4209357 ZUTPHKNBYGWUGM-RGVLZGJSSA-N 323.783 3.961 50 50 DHGA O=c1cc(CCl)nc2scc(-c3ccc(Cl)cc3)n12 17032223 YGUARRHCBSLHCR-UHFFFAOYSA-N 311.193 3.815 50 50 DHGA CCCCCCCCCCCC(=O)NNC(=O)c1ccncc1 59700227 HEKMDVBJCMXAHG-UHFFFAOYSA-N 319.449 3.764 50 50 DHGA O=C(CBr)Nc1cc(Cl)c(Cl)cc1Cl 3622608 CWIXWVNRNRVLQC-UHFFFAOYSA-N 317.397 3.980 50 50 DHGA N#C/C(=C/c1cn(CC(=O)O)c2ccccc12)c1cccc(F)c1 13838395 QBDHYERORHCSLY-ZSOIEALJSA-N 320.323 3.929 50 50 DHGA N#CC(C#N)=Cc1ccc(N2CCC(C(F)(F)F)CC2)cc1 263640025 UAEXDQYMSLRNQP-UHFFFAOYSA-N 305.303 3.896 50 50 DHGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(C)oc2C)cc1 434080 FVZATUVZNQDTNQ-XDHOZWIPSA-N 313.401 3.507 50 50 DHGA N#C/C(=C/c1ccc(N2CCOCC2)cc1)c1ccccc1F 5028061 BDLYABGELGCNIU-SSZFMOIBSA-N 308.356 3.726 50 50 DHGA CC[C@@H]1[C@H]2C[C@@H](C(C)(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N 19853019 PJOLEJUYCOOOJH-DUVNUKRYSA-N 308.429 3.795 50 50 DHGA CC(C)c1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 48897 DELLLXWWBXYELA-QGZVFWFLSA-N 308.381 3.625 50 50 DHGA CCCCCC(=O)N/N=C(\C)c1ccc(Br)cc1 4976263 PGHDSMDRZQNNID-LFIBNONCSA-N 311.223 3.870 50 50 DHGA Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(O)c(Cl)cc21 22781049 ICXHCTVSXJTEKZ-MRXNPFEDSA-N 312.756 3.572 50 50 DHGA C[C@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C)[C@]1(O)C#N 239309625 HTJJHIYXGFLKJV-RFGKEDTNSA-N 306.409 3.599 50 50 DHGA Cc1cc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c(C)o1 228289 DWIQQRATPOGBKL-REZTVBANSA-N 311.168 3.967 50 50 DHGA COc1ccc(-c2ccccc2)cc1NNC(=O)OC(C)C 2511856 VHLKTXFWDRXILV-UHFFFAOYSA-N 300.358 3.824 50 50 DHGA biogenic,in-vitro O=C(CCl)N[C@H]1CCCc2nc(-c3ccccc3)sc21 1875364279 KLAANIXEABIPBF-NSHDSACASA-N 306.818 3.543 50 50 DHGA Cc1ccc(/C=N\NC(=O)Cc2cccc3c2CCCC3)cc1 43761198 CKGDCLVXKLHXMB-STZFKDTASA-N 306.409 3.567 50 50 DHGA CC(/C=C/c1ccccc1)=N/NC(=O)CNc1ccc(C)cc1 4982286 LPFHOQXEEGLJGO-CQKVNPIASA-N 307.397 3.612 50 50 DHGA C[C@H](O)CCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 22017335 RMWOXUSEQDJRKX-HADWXUJASA-N 320.392 3.604 50 50 DHGA COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cl)s1 2744041 YEQYOEIHAYNLOZ-CSKARUKUSA-N 318.785 3.956 50 50 DHGA CCCCOc1ccc(OCC(=O)NN=C2CCCCC2)cc1 4366054 RHNGLHBKKNHOFE-UHFFFAOYSA-N 318.417 3.681 50 50 DHGA CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@]23CC(=O)C[C@H]2CC(=O)[C@H]13 169830705 XRBGZCJGKNZIRP-LDXOSZSPSA-N 308.494 3.725 50 50 DHGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc2ccccc2c1 241974 DTBBDSJZFVDPKY-GOSISDBHSA-N 316.360 3.655 50 50 DHGA CCO[C@@H](SC)P(=O)(c1ccccc1)c1ccccc1 335227 AGXKWWDTIOTTBX-MRXNPFEDSA-N 306.367 3.684 50 50 DHGA CC(C)(C)[Si](C)(C)OCCCI 169835003 KTJOZDBANQOLHP-UHFFFAOYSA-N 300.256 3.833 50 50 DHGA in-vitro N#C/C(=C\c1ccccc1Cl)S(=O)(=O)c1ccccc1 150958 WKPXOLNKSXABHG-GXDHUFHOSA-N 303.770 3.678 50 50 DHGA Cc1ccc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)s1 19732988 LQEJIBRSVQNUMB-BBRMVZONSA-N 320.421 3.650 50 50 DHGA Cc1ccc(-c2nc(C(Cl)Cl)nc3cc(C)nn23)cc1 1775977246 XHECOLBVHWLUSN-UHFFFAOYSA-N 307.184 3.884 50 50 DHGA CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 447512 PTIHWQWCGAMUGB-QGMBQPNBSA-N 324.211 3.871 50 50 DHGA O=C(N/N=C/c1ccsc1)c1ccc(OC2CCCC2)cc1 2795083 NLDJKFALLHPZCG-WOJGMQOQSA-N 314.410 3.833 50 50 DHGA CC[C@@H](CN(C)C(=O)CCl)Oc1ccc(Cl)c(Cl)c1 1875374613 AJWXXDFVGOMDJC-VIFPVBQESA-N 324.635 3.848 50 50 DHGA COc1ccc(C(=O)Cl)c([N+](=O)[O-])c1OCc1ccccc1 25668658 DKPVELYJFHFDCF-UHFFFAOYSA-N 321.716 3.561 50 50 DHGA CCCCCC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 2756074 BAERDVABLGACHV-UHFFFAOYSA-N 310.397 3.695 50 50 DHGA aggregator Cc1cccc([C@H]2C(C#N)=C(N)Oc3cc(O)c(Cl)cc32)c1 22781315 ZNVSTVFHQHXITL-MRXNPFEDSA-N 312.756 3.572 50 50 DHGA CC(/C=C/c1ccccc1)=N\NC(=O)CNc1ccc(C)cc1 25579688 LPFHOQXEEGLJGO-UVTDRHCZSA-N 307.397 3.612 50 50 DHGA O=C1O[C@H](CCl)CN1C(c1ccccc1)c1ccccc1 526056096 SWRBSDOXXNKHNT-OAHLLOKOSA-N 301.773 3.836 50 50 DHGA N#CC1=C(N)Oc2c(ccc3cccnc23)[C@H]1c1ccccc1F 37302 TXZOCVNVLJMPEF-MRXNPFEDSA-N 317.323 3.592 50 50 DHGA CC1=C(C#N)[C@H](c2ccccc2F)C2=C(N1)c1ccccc1C2=O 479943 FVSZQGHJPDSZIB-KRWDZBQOSA-N 316.335 3.918 50 50 DHGA FC(F)(Br)[C@](F)(Cl)CCBr 2147284 RJOGGYLEOPNVJV-VKHMYHEASA-N 304.331 3.664 50 50 DHGA in-vitro C/C(=N\NC(=O)c1cccs1)c1cccc(Br)c1 19879626 CMVTYTVKPQSBEH-OQLLNIDSSA-N 323.215 3.665 50 50 DHGA O=C(N/N=C/C1=C(Cl)c2ccccc2CC1)c1ccccc1 43761454 SEIDOPLBSISEAT-UDWIEESQSA-N 310.784 3.999 50 50 DHGA C[C@@H](Cl)C(=O)N[C@H](C)c1ccc(C(F)(F)F)nc1Cl 1875377932 RNGBYUZJGXJTEF-PHDIDXHHSA-N 315.122 3.558 50 50 DHGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2C1CCCCC1 2267730 ADCDTRVLEGKULK-HNNXBMFYSA-N 300.402 3.550 50 50 DHGA CC/C(C)=N/O[Si](C)(O/N=C(\C)CC)O/N=C(\C)CC 169839819 OGZPYBBKQGPQNU-DABLZPOSSA-N 301.463 3.963 50 50 DHGA O=C(N/N=C/C=C/c1ccccc1)c1cc(-c2cccs2)n[nH]1 5296827 HZFNYAARYDZYJN-HGBXGJOCSA-N 322.393 3.567 50 50 DHGA O=C(c1ccccc1)[C@H]1O[C@@]1(CBr)c1ccccc1 1672804 PNXBIYWYSDILPG-CVEARBPZSA-N 317.182 3.559 50 50 DHGA ClCCCOc1ccc(CN2CC[C@H]3OCCC[C@H]3C2)cc1 252488010 IGXFHPWGPDGQLQ-FUHWJXTLSA-N 323.864 3.695 50 50 DHGA N#CC(C#N)=Cc1ccccc1OCc1cnc(Cl)s1 1406068 FPCOFMVHMALDMQ-UHFFFAOYSA-N 301.758 3.806 50 50 DHGA CCCSC1=C(C#N)[C@@H](c2ccccc2Cl)CC(=O)N1 8973323 LCJLJAJPIBYDSQ-LLVKDONJSA-N 306.818 3.822 50 50 DHGA Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)o2)cc1C 446536 BSEMNWNUFPBWNV-GXDHUFHOSA-N 309.369 3.508 50 50 DHGA Br[C@@H]1CCC2(CCCO2)CC[C@H]1Br 101080696 IWALYINJQBWALK-RKDXNWHRSA-N 312.045 3.637 50 50 DHGA O=C(CCl)c1ccc2c(c1)CCN2C(=O)C1CCCCC1 1350394 CYYLHSSSHLLYGL-UHFFFAOYSA-N 305.805 3.578 50 50 DHGA N#CSc1cc(OC(F)(F)F)c(N)cc1Br 38537366 WPSWDDCBPNXWHN-UHFFFAOYSA-N 313.098 3.503 50 50 DHGA in-vitro O=C(CCl)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 1768409 HWYNUMYCJOJYRE-UHFFFAOYSA-N 322.773 3.923 50 50 DHGA C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C#N 70665416 JYCSLUASXDFIEL-XUFBONQXSA-N 313.441 3.773 50 50 DHGA C[C@@H]1CCc2sc(C(=O)N/N=C3/C[C@@H]4C=CC[C@@H]34)cc2C1 229379352 XTXHHUMHWKPEHH-RJNGNUHOSA-N 300.427 3.555 50 50 DHGA CC(C)(C)c1ccc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)cc1 550853 JSAGDTOLPGYQEK-SSDVNMTOSA-N 320.396 3.624 50 50 DHGA Cc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)NN)c2c1 2738236 CPMJXSKPZIYARQ-UHFFFAOYSA-N 319.408 3.937 50 50 DHGA ClC[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 113173317 LPECDQDHFCOVSK-IBGZPJMESA-N 314.860 3.612 50 50 DHGA CC(C)(C)C1CCC(=NNC(=O)COc2ccccc2)CC1 4366638 CFQOPNNLUFPDCB-UHFFFAOYSA-N 302.418 3.774 50 50 DHGA O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccc(F)cc1 273712 WTLQYURFOYXFLB-QGMBQPNBSA-N 311.143 3.896 50 50 DHGA C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1cc(C)ccc1C 13328411 RBUDIAGWUDXTQK-AQOSXKMFSA-N 306.409 3.947 50 50 DHGA CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@H](C)C2)c1C 212496023 NZBCNUOZZYUSBU-BGARDKSCSA-N 313.445 3.680 50 50 DHGA O=Cc1ccc(OCCCCCCBr)cc1O 1857775571 ZJVKHTBOYQIFGT-UHFFFAOYSA-N 301.180 3.539 50 50 DHGA COc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc1Br 6823162 YAEOWQRTUSIGNI-YRNVUSSQSA-N 322.202 3.980 50 50 DHGA COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)c1 15685057 UERAFXABXZGDTC-GXDHUFHOSA-N 310.328 3.688 50 50 DHGA Cc1ccc2c(CC(=O)NCC(Cl)Cl)coc2c1C 289089279 OSQWLDARFHNGNV-UHFFFAOYSA-N 300.185 3.512 50 50 DHGA Cc1ccc2nc(/C(C#N)=C/c3ccccc3C(=O)O)[nH]c2c1 4067466 GEIXQXHIJKRAER-UKTHLTGXSA-N 303.321 3.634 50 50 DHGA CC1=C(C#N)C(=O)N=C(O)/C1=C\c1ccc(-c2ccccc2)o1 5007751 SNLNUUWCOAPJED-ZROIWOOFSA-N 304.305 3.667 50 50 DHGA CC(C)(C)OC(=O)NCc1cccc(CBr)c1 82049876 ZAWVAHJDHPLCQF-UHFFFAOYSA-N 300.196 3.606 50 50 DHGA CO[C@@H]1CC[C@@H]2CCN3CCC(CCl)=C(CCCl)[C@]23C1 254612596 SJVALRLGJXCADE-FMKPAKJESA-N 318.288 3.814 50 50 DHGA O=Cc1[nH]c2ccccc2c1N(C(=O)CCl)c1ccccc1 333880 PZUMYPDUSSELPR-UHFFFAOYSA-N 312.756 3.884 50 50 DHGA CCCCCc1ccc(/C(C)=N\NC(=O)c2cccnc2)cc1 5308977 RMWPWOLXCUPFMM-QNGOZBTKSA-N 309.413 3.968 50 50 DHGA O=C(CCCc1ccccc1)N/N=C/c1ccc(Cl)cc1 35653651 UCRQGODGJJUQEN-CPNJWEJPSA-N 300.789 3.813 50 50 DHGA O=C1[C@@H](Cl)[C@@H](CCl)CN1c1cccc(C(F)(F)F)c1 323064 OQZCSNDVOWYALR-XVKPBYJWSA-N 312.118 3.514 50 50 DHGA biogenic,in-vitro N#CC(C(=O)Nc1cccc(Cl)c1)=C1Nc2ccccc2N1 4037116 WVJLUCPGERIOLC-UHFFFAOYSA-N 310.744 3.551 50 50 DHGA C/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccccc1 4956953 SXXQJYKFNQTMFY-HCZVKUGISA-N 316.788 3.648 50 50 DHGA C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cc(C)ccc1C 13328405 RBUDIAGWUDXTQK-RLPGOOFBSA-N 306.409 3.947 50 50 DHGA Cc1cc([C@H](C)N(Cc2c(C)noc2C)C(=O)CCl)c(C)o1 1875382590 ICGLLKJJTJASKW-NSHDSACASA-N 324.808 3.830 50 50 DHGA O=C(CNc1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 43221 LFNMKUBJLBGQKE-DJKKODMXSA-N 322.195 3.556 50 50 DHGA COC(=O)c1ccsc1NC(=O)c1cccc(CCl)c1 160055 YOVSCTKBQMYDQN-UHFFFAOYSA-N 309.774 3.526 50 50 DHGA CC(C)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2O)cc1 431908 NQJHXOYNFYTNNM-VXLYETTFSA-N 316.788 3.933 50 50 DHGA N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1[C@H]1C=CCCC1 549303 FWVRQEYFMLFVCZ-SWLSCSKDSA-N 318.380 3.603 50 50 DHGA FC(F)(F)C(CCI)C(F)(F)F 91251904 MZQFBFNTQBQOOS-UHFFFAOYSA-N 305.987 3.552 50 50 DHGA Cc1cccc(/C(C#N)=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1 4840536 QXTGNYKBOKTSHZ-MKMNVTDBSA-N 308.293 3.696 50 50 DHGA CC1=C(C#N)[C@@H](c2ccccc2F)C2=C(N1)c1ccccc1C2=O 479941 FVSZQGHJPDSZIB-QGZVFWFLSA-N 316.335 3.918 50 50 DHGA COc1cc(C)cc2c(C)c([C@H](C)NC(=O)[C@H](C)Cl)oc12 1875364744 SEFSWGIAOFRMPK-QWRGUYRKSA-N 309.793 3.863 50 50 DHGA N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])C(=O)c1ccccc1 2380740 IOLBPLLWDJBTJM-IPASCASISA-N 304.305 3.941 50 50 DHGA N#CC1=C(N)Oc2ccc3ncccc3c2[C@@H]1c1ccccc1F 214235 SPUMCZWWIDQDBV-QGZVFWFLSA-N 317.323 3.592 50 50 DHGA Cc1cc(/C=C(\C#N)C(=O)O)c(C)n1-c1cccc(Cl)c1 2654634 NYEDDKVMWGSYEN-NTUHNPAUSA-N 300.745 3.739 50 50 DHGA CC(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccco3)n[nH]2)cc1 9045511 YTQJCRUONYMCBI-YBFXNURJSA-N 322.368 3.557 50 50 DHGA O=C(Cc1ccccc1)NNc1nc2ccc(Cl)cc2s1 1642296231 IJRUXEBBMRYYRT-UHFFFAOYSA-N 317.801 3.636 50 50 DHGA COc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1 301131 BYQBNJZXGIOTSZ-KGENOOAVSA-N 318.376 3.541 50 50 DHGA CCc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2OC)s1 17032507 MTBLYHXPKTYHDM-ZRDIBKRKSA-N 312.394 3.865 50 50 DHGA C/C(=N\NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccc(C)cc1 72019 NXGZBZAXNRFYJR-LDADJPATSA-N 324.409 3.601 50 50 DHGA C#Cc1cc(CBr)cc(C2(C(F)(F)F)N=N2)c1 225950283 IMMNPEZFIPFUHW-UHFFFAOYSA-N 303.081 3.744 50 50 DHGA CC(C)(C)[Si](C)(C)O[C@H](CCO)COCc1ccccc1 169833449 OVWBRTNNISTAFE-MRXNPFEDSA-N 310.510 3.976 50 50 DHGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2C1CCCCC1 290076 ADCDTRVLEGKULK-OAHLLOKOSA-N 300.402 3.550 50 50 DHGA C/C(=N\NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)C1CC1 12343080 GJZWOUBPHCXYBK-OMNSNBSWSA-N 318.420 3.895 50 50 DHGA C/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(C)cc1 4780928 ZNGRZNGJYRFWHJ-XSFVSMFZSA-N 318.380 3.539 50 50 DHGA C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C#N 70686819 JYCSLUASXDFIEL-HLXURNFRSA-N 313.441 3.773 50 50 DHGA biogenic N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(N)=O 117208 YTJDRNUMYFAXMV-VMPITWQZSA-N 307.136 3.646 50 50 DHGA COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)[C@@H](C)Cl 1875380004 BWWYHUNNBYPMHN-SKDRFNHKSA-N 316.228 3.812 50 50 DHGA CC(C)(C)OC(=O)NNC(=O)Nc1cccc(Cl)c1Cl 2851518 SNKQDGBKIKWFTA-UHFFFAOYSA-N 320.176 3.555 50 50 DHGA FC(F)(F)[C@@H](Br)[C@H](Br)C(F)(F)F 2379399 CLDAABVXWZWULA-LWMBPPNESA-N 323.856 3.638 50 50 DHGA FC(F)Oc1ccc(C(F)(F)F)nc1CBr 309569422 VOLLKBQUNDIDCV-UHFFFAOYSA-N 306.028 3.597 50 50 DHGA CCc1cc(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)cs1 375101 AIFQGBJZIGNMCC-GIJQJNRQSA-N 311.410 3.864 50 50 DHGA O=C(NNc1ccccc1)Nc1ccc(Br)cc1 2167729 LDDZOKMCAXEEDU-UHFFFAOYSA-N 306.163 3.598 50 50 DHGA CC(C)(C)c1cc(C=C(C#N)C#N)cc(Br)c1O 2391886 ABBADGFSRBWENF-UHFFFAOYSA-N 305.175 3.883 50 50 DHGA in-vitro O=C(CCl)N(Cc1cccc2ccoc12)[C@@H]1CCCOCC1 1875382629 JXJAIRCLJYRYOF-OAHLLOKOSA-N 321.804 3.569 50 50 DHGA O=C(COc1ccccc1Cl)N/N=C/C=C/c1ccccc1 2566844 ZDZKMZYNCOXQFL-YKIVCEQRSA-N 314.772 3.534 50 50 DHGA CCCc1ccc(OCC(=O)N/N=C/C=C/c2ccccc2)cc1 3166911 ZBOOZQZJYSVTEJ-CRBYHUFUSA-N 322.408 3.833 50 50 DHGA Cc1cc(C(=O)N/N=C/c2sccc2C)c2ccccc2n1 5712341 WEJCVPSCJOBYMU-VCHYOVAHSA-N 309.394 3.677 50 50 DHGA CC(C)=CCC/C(C)=C/C=N/NC(=O)c1cc(O)cc(O)c1 2938097 OAJRTTHNPRCYMM-ZGCGSHIDSA-N 302.374 3.506 50 50 DHGA C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C#N 118917329 JYCSLUASXDFIEL-MPRNQXESSA-N 313.441 3.773 50 50 DHGA ClC(Cl)c1nc(-c2ccc(Br)cc2)no1 100006632 KKRHIWCBMSLHCV-UHFFFAOYSA-N 307.962 3.975 50 50 DHGA in-vitro C/C(=N\NC(=O)CCCNc1cccc(C)c1)c1ccccc1 4976011 AKVXPEXGAYFEIB-LTGZKZEYSA-N 309.413 3.728 50 50 DHGA O=c1oc(-c2ccc(Cl)cc2)nn1CCCCCCCl 71767251 ZOINMULLKOCGJM-UHFFFAOYSA-N 315.200 3.956 50 50 DHGA FC(F)(F)c1nccc(CBr)c1Br 238582444 CVLKUWKPEFMYTN-UHFFFAOYSA-N 318.918 3.758 50 50 DHGA O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1ccc(O)cc1 778056 PNAOAWLPWZRVCK-KGENOOAVSA-N 316.360 3.823 50 50 DHGA CC(C)c1ccc(NC(=S)NNC(=O)c2cccs2)cc1 13518944 OWFWIARMXUZLHT-UHFFFAOYSA-N 319.455 3.503 50 50 DHGA [C-]#[N+][C@@H](c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C)cc1 100058526 DUHMNGGUXBLMCW-OAHLLOKOSA-N 307.321 3.665 50 50 DHGA CCCSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1 2060054 WOVTVNBENIBVBV-LBPRGKRZSA-N 306.818 3.822 50 50 DHGA COc1cc2c(Cl)c(C#N)cnc2cc1OCCCCl 22012782 BEGHZKYNLSIHIA-UHFFFAOYSA-N 311.168 3.776 50 50 DHGA COc1ccc(OC)c(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)c1 4714766 XACBBQXAWSKIAH-NTEUORMPSA-N 319.364 3.953 50 50 DHGA C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1c[nH]c2ccccc12 5093210 CYEUGSKYWPJIIH-YZJMHRKOSA-N 307.397 3.770 50 50 DHGA CC(C)N1CCC(=NNC(=O)c2ccc(C(C)(C)C)cc2)CC1 55072061 BJMMCBWLXCYYDA-UHFFFAOYSA-N 315.461 3.574 50 50 DHGA N#C/C(=C\c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 170391 XXQWGNZCCQXAFY-XNTDXEJSSA-N 303.770 3.678 50 50 DHGA C/C(=N/NC(=O)c1ccoc1C)C12CC3CC(CC(C3)C1)C2 5019853 CMEOUOHPYJOVIE-UNOMPAQXSA-N 300.402 3.910 50 50 DHGA O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(F)cc1 238188 PZDUQHZQWYHABI-FYJGNVAPSA-N 306.340 3.672 50 50 DHGA C/C(=N\NC(=O)c1ccncc1)c1ccc(Cl)c(Cl)c1 17002179 VMWHFEYYQDXBSW-GIJQJNRQSA-N 308.168 3.542 50 50 DHGA N#CC1=C(NC(=O)CCl)c2ccccc2CC12CCCCC2 28129 UEKPBSMZZDXDOD-UHFFFAOYSA-N 314.816 3.783 50 50 DHGA C[C@@H]1C=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3)[C@@H]2CC1 17143879 DQKXXGBSBSJOGU-JCKWVBRZSA-N 314.392 3.526 50 50 DHGA CC[C@@]1(CBr)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2Br 100699312 NKQQZBRYEZCKIP-GISOBZBCSA-N 324.056 3.540 50 50 DHGA FC(F)(F)C(Br)(CBr)C(F)(F)F 2386525 RSOPEIVMXGUUEX-UHFFFAOYSA-N 323.856 3.640 50 50 DHGA in-vitro COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1C 445670 QFIIUWTXIAGUNC-GXDHUFHOSA-N 310.328 3.688 50 50 DHGA O=C(N[C@H]1CC[C@H](c2nc3ccccc3o2)CC1)[C@@H](F)Cl 2325898645 PPZAQHCJBBBNKC-GIPNMCIBSA-N 310.756 3.505 50 50 DHGA N#C/C(=C\c1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1 150975 JRTCDUSXQGANIV-OQLLNIDSSA-N 321.760 3.817 50 50 DHGA CN(C)c1ccc(/C=C(\C#N)C2=Nc3ccccc3NC2)cc1 5569588 PVUSAYSNEYZIEQ-RVDMUPIBSA-N 302.381 3.858 50 50 DHGA Cc1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)s1 19732986 LQEJIBRSVQNUMB-CZUORRHYSA-N 320.421 3.650 50 50 DHGA O=C(N[C@H]1CC[C@H](c2nc3ccccc3o2)CC1)[C@H](F)Cl 2325898646 PPZAQHCJBBBNKC-KWBADKCTSA-N 310.756 3.505 50 50 DHGA N#C/C(=C\c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 148326 BYTBBTSVERILRW-OQLLNIDSSA-N 321.760 3.817 50 50 DHGA C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]2(O)C#N 257356733 JYCSLUASXDFIEL-JZCOGDJRSA-N 313.441 3.773 50 50 DHGA CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(C)o1 100585205 GDYICKMEGQXHDE-MLPAPPSSSA-N 302.337 3.597 50 50 DHGA Cc1cc(C)c(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)c(C)c1 271281 TUMNOEMGWXWTOM-YAHSPCSVSA-N 306.409 3.866 50 50 DHGA O=C(c1ccccc1)[C@@H]1O[C@@]1(CBr)c1ccccc1 1672803 PNXBIYWYSDILPG-HOTGVXAUSA-N 317.182 3.559 50 50 DHGA CCN(CC)P(=O)([C@H](Cl)C(F)(F)F)N(CC)CC 3145476 LIYUGVFSZZCOOX-VIFPVBQESA-N 308.712 3.990 50 50 DHGA C/C(=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccccc1 4956954 SXXQJYKFNQTMFY-KZKLBEMASA-N 316.788 3.648 50 50 DHGA CCC(CC)[C@@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21 5686572 IPVCPNKDNPVCAK-CQSZACIVSA-N 308.385 3.683 50 50 DHGA Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(O)c(Cl)cc21 22781043 ICXHCTVSXJTEKZ-INIZCTEOSA-N 312.756 3.572 50 50 DHGA O=C(Cl)c1c(Br)cc(F)cc1Br 263623769 KORVHKSEYRLKIV-UHFFFAOYSA-N 316.351 3.730 50 50 DHGA C/C(=N\NC(=O)COc1ccc2ccccc2c1)c1ccccc1 4951343 XKUNBXOSVVRDKN-RCCKNPSSSA-N 318.376 3.759 50 50 DHGA CCCCCOc1cccc(/C=N/NC(=O)c2ccoc2C)c1 6398581 BPNDJHIGSKNTGX-CPNJWEJPSA-N 314.385 3.921 50 50 DHGA C=CCSC1=C(C#N)[C@H](c2ccccc2Cl)CC(=O)N1 9110724 JPXLEAFCRFVZNB-NSHDSACASA-N 304.802 3.598 50 50 DHGA COC(=O)c1ccc(/C=C(\C#N)c2nc3ccccc3s2)o1 5929266 IRBVERMGRLHFCC-CSKARUKUSA-N 310.334 3.740 50 50 DHGA